#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fki n GLY 3 N 0.00 -0.08 0.84 2.92 0.00 -1.26 -5.13 105.19 102.48 3fki n GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fki n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fki n GLN 4 N 0.00 -2.35 -1.02 1.61 1.13 -1.26 -4.65 117.38 110.85 3fki n GLN 4 Ca 0.00 1.78 0.00 0.00 -1.94 0.00 0.00 57.00 56.84 3fki n GLN 4 Cb 0.00 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.27 3fki n GLN 4 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3fki n GLN 5 N -1.36 -2.86 -2.54 -1.09 6.02 -1.26 -4.97 117.38 109.32 3fki n GLN 5 Ca 0.00 2.15 -0.35 0.00 -0.01 0.00 0.00 57.00 58.79 3fki n GLN 5 Cb 0.09 -2.48 -0.04 0.00 1.02 0.00 0.00 30.24 28.83 3fki n GLN 5 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3fki s TYR 6 N -3.43 3.14 -0.11 1.08 5.04 -1.26 -4.95 117.35 116.86 3fki s TYR 6 Ca 0.00 1.61 0.02 0.00 -2.44 0.00 0.00 57.07 56.26 3fki s TYR 6 Cb 0.00 -3.11 -0.01 0.00 0.35 0.00 0.00 41.96 39.19 3fki s TYR 6 CO 0.00 -0.73 -0.17 0.45 -1.34 0.00 0.00 175.55 173.76 3fki s SER 7 N -1.74 3.71 0.47 4.32 0.15 -1.26 -5.00 113.70 114.35 3fki s SER 7 Ca 0.62 -0.38 0.26 0.00 0.70 0.00 0.00 55.95 57.15 3fki s SER 7 Cb -0.20 -1.39 0.69 0.00 -1.71 0.00 0.00 66.02 63.41 3fki s SER 7 CO 0.24 0.20 1.74 0.28 1.20 0.00 0.00 173.24 176.89 3fki h SER 8 N 6.46 0.00 -3.59 5.45 0.02 -2.05 -3.45 113.55 116.40 3fki h SER 8 Ca -0.27 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.16 3fki h SER 8 Cb 1.21 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.77 3fki h SER 8 CO 0.52 0.02 0.54 0.00 -1.14 0.00 0.00 176.83 176.78 3fki s ALA 9 N -3.37 3.43 0.29 3.77 0.00 -1.26 -5.01 121.76 119.61 3fki s ALA 9 Ca 0.05 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 3fki s ALA 9 Cb 0.07 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 3fki s ALA 9 CO 0.63 -0.33 1.11 -1.25 0.00 0.00 0.00 175.76 175.92 3fki s PRO 10 N -0.63 4.61 0.06 0.00 0.04 -1.26 -5.02 135.00 132.79 3fki s PRO 10 Ca 0.50 1.83 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 3fki s PRO 10 Cb -0.33 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 3fki s PRO 10 CO 0.39 0.17 0.61 -0.48 0.04 0.00 0.00 177.00 177.73 3fki s LEU 11 N -1.51 4.50 0.31 -3.56 0.05 -1.26 -5.08 118.68 112.13 3fki s LEU 11 Ca 0.45 1.28 0.03 0.00 0.05 0.00 0.00 54.13 55.94 3fki s LEU 11 Cb -0.32 -2.96 -0.02 0.00 -2.05 0.00 0.00 46.19 40.83 3fki s LEU 11 CO 0.42 0.20 0.30 -0.13 -0.55 0.00 0.00 176.35 176.58 3fki s ARG 12 N -0.77 1.68 0.03 1.48 0.52 -1.26 -5.17 118.95 115.46 3fki s ARG 12 Ca 0.31 -1.88 0.02 0.00 -0.52 0.00 0.00 55.73 53.66 3fki s ARG 12 Cb -0.19 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 3fki s ARG 12 CO 0.19 -0.63 0.03 0.95 0.02 0.00 0.00 175.30 175.86 3fki s THR 13 N -3.51 4.27 -0.53 0.02 -4.23 -1.26 -5.07 115.64 105.33 3fki s THR 13 Ca 0.38 -0.68 -0.28 0.00 -1.18 0.00 0.00 61.69 59.93 3fki s THR 13 Cb 0.03 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.93 3fki s THR 13 CO 0.23 0.28 1.13 0.68 -0.54 0.00 0.00 174.62 176.40 3fki s VAL 14 N -1.20 4.16 -0.05 2.29 -7.23 -1.26 -4.89 120.40 112.22 3fki s VAL 14 Ca 0.23 0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 61.30 3fki s VAL 14 Cb -0.12 -4.64 -0.28 0.00 0.56 0.00 0.00 36.38 31.90 3fki s VAL 14 CO 0.14 -1.16 0.66 0.11 -0.31 0.00 0.00 175.10 174.54 3fki h LYS 15 N 9.37 0.28 -4.83 4.82 6.56 -1.96 -3.48 116.57 127.33 3fki h LYS 15 Ca -0.24 -0.48 -0.42 0.00 -1.06 0.00 0.00 60.65 58.44 3fki h LYS 15 Cb 1.06 0.18 -0.29 0.00 -0.57 0.00 0.00 32.23 32.61 3fki h LYS 15 CO 1.14 1.16 -0.79 -1.21 -2.06 0.00 0.00 179.45 177.69 3fki s GLU 16 N -2.59 0.86 -0.32 3.15 2.02 -1.26 -4.25 118.70 116.31 3fki s GLU 16 Ca -0.14 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3fki s GLU 16 Cb 0.06 -0.83 0.07 0.00 0.10 0.00 0.00 34.13 33.54 3fki s GLU 16 CO 0.83 0.21 0.01 0.08 0.02 0.00 0.00 175.26 176.41 3fki s VAL 17 N -0.17 2.66 -0.06 2.63 1.01 -1.07 -5.01 120.40 120.38 3fki s VAL 17 Ca 0.03 -1.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.00 3fki s VAL 17 Cb -0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3fki s VAL 17 CO -0.00 -0.29 0.68 -1.10 0.00 0.00 0.00 175.10 174.39 3fki s GLN 18 N 1.12 4.43 -0.41 2.72 -1.52 -1.26 -1.22 119.66 123.52 3fki s GLN 18 Ca -0.00 0.85 -0.10 0.00 -1.95 0.00 0.00 55.36 54.16 3fki s GLN 18 Cb -0.20 -3.44 0.06 0.00 -0.22 0.00 0.00 33.01 29.21 3fki s GLN 18 CO -0.04 0.09 0.25 -0.06 -0.25 0.00 0.00 175.29 175.27 3fki s PHE 19 N 0.73 3.30 0.35 0.91 0.40 -1.13 -5.02 117.98 117.51 3fki s PHE 19 Ca 0.37 -1.31 0.01 0.00 -0.60 0.00 0.00 56.93 55.40 3fki s PHE 19 Cb -0.18 -2.78 -0.00 0.00 0.51 0.00 0.00 43.02 40.57 3fki s PHE 19 CO 0.18 -0.78 0.04 0.41 0.70 0.00 0.00 175.22 175.77 3fki n GLY 20 N 4.96 3.63 3.48 4.36 0.00 -1.26 -3.86 105.19 116.50 3fki n GLY 20 Ca -0.11 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.38 3fki n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fki s LEU 21 N 0.00 2.71 0.12 0.99 1.43 -0.70 -4.78 118.68 118.44 3fki s LEU 21 Ca 0.06 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.40 3fki s LEU 21 Cb 0.00 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 3fki s LEU 21 CO 0.04 0.23 1.53 -0.36 0.23 0.00 0.00 176.35 178.02 3fki s PHE 22 N -1.02 2.96 -0.09 0.29 0.08 -1.26 -4.77 117.98 114.17 3fki s PHE 22 Ca 0.16 0.65 -0.19 0.00 0.12 0.00 0.00 56.93 57.67 3fki s PHE 22 Cb -0.11 -3.86 -0.04 0.00 -0.57 0.00 0.00 43.02 38.44 3fki s PHE 22 CO 0.08 -3.21 0.52 -1.12 -0.10 0.00 0.00 175.22 171.38 3fki s SER 23 N 1.44 6.76 0.46 1.36 0.01 -1.26 -4.87 113.70 117.60 3fki s SER 23 Ca 0.69 0.91 0.20 0.00 1.31 0.00 0.00 55.95 59.06 3fki s SER 23 Cb -0.41 -2.31 1.17 0.00 0.21 0.00 0.00 66.02 64.69 3fki s SER 23 CO 0.31 0.02 1.92 -0.65 0.41 0.00 0.00 173.24 175.24 3fki h PRO 24 N 6.48 0.28 -0.30 12.44 0.11 -1.95 0.12 132.00 149.18 3fki h PRO 24 Ca -0.42 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 3fki h PRO 24 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fki h PRO 24 CO 0.74 0.19 -0.24 0.93 -0.21 0.00 0.00 178.00 179.41 3fki h GLU 25 N 0.29 0.59 -0.07 1.05 3.07 -1.97 -2.56 114.58 114.97 3fki h GLU 25 Ca 0.38 -0.22 -0.21 0.00 -0.50 0.00 0.00 59.36 58.80 3fki h GLU 25 Cb 1.05 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3fki h GLU 25 CO -0.10 0.78 -0.80 1.49 -1.40 0.00 0.00 179.01 178.98 3fki h GLU 26 N 0.52 0.51 -0.69 2.33 4.81 -1.21 -2.24 114.58 118.61 3fki h GLU 26 Ca 0.07 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3fki h GLU 26 Cb 0.69 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3fki h GLU 26 CO 0.05 1.08 0.44 0.28 -0.73 0.00 0.00 179.01 180.13 3fki h VAL 27 N 0.33 1.19 -0.58 0.32 2.07 -1.20 0.14 116.25 118.52 3fki h VAL 27 Ca -0.05 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 3fki h VAL 27 Cb 1.41 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3fki h VAL 27 CO 0.15 0.19 -0.05 0.03 0.02 0.00 0.00 177.57 177.91 3fki h ARG 28 N 0.94 1.06 0.04 1.57 3.08 -1.46 -3.21 114.38 116.40 3fki h ARG 28 Ca 0.25 -0.36 -0.27 0.00 0.07 0.00 0.00 59.98 59.66 3fki h ARG 28 Cb -0.07 -0.08 0.02 0.00 0.08 0.00 0.00 29.97 29.92 3fki h ARG 28 CO -0.05 1.06 -1.09 0.00 -1.07 0.00 0.00 179.97 178.82 3fki h ALA 29 N 0.97 0.08 -0.73 0.04 0.00 -1.00 -3.32 119.26 115.31 3fki h ALA 29 Ca 0.16 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3fki h ALA 29 Cb 0.62 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3fki h ALA 29 CO 0.04 0.67 0.33 0.82 0.00 0.00 0.00 179.25 181.12 3fki h ILE 30 N 0.34 1.24 -2.80 0.00 2.04 -0.83 -3.46 117.51 114.05 3fki h ILE 30 Ca -0.15 -0.70 -0.47 0.00 1.00 0.00 0.00 64.86 64.54 3fki h ILE 30 Cb 1.75 0.35 0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3fki h ILE 30 CO 0.21 0.29 -0.13 -0.44 0.00 0.00 0.00 178.15 178.09 3fki s SER 31 N -6.18 6.06 -0.30 1.72 0.01 -1.21 -4.86 113.70 108.93 3fki s SER 31 Ca -0.13 0.39 0.12 0.00 1.31 0.00 0.00 55.95 57.64 3fki s SER 31 Cb 0.15 -1.78 0.47 0.00 0.21 0.00 0.00 66.02 65.06 3fki s SER 31 CO 0.81 -0.51 1.14 1.33 0.41 0.00 0.00 173.24 176.42 3fki n VAL 32 N -1.96 2.05 0.11 3.43 0.24 -1.25 -4.95 118.33 116.00 3fki n VAL 32 Ca -0.01 -3.87 -0.05 0.00 -2.04 0.00 0.00 64.34 58.36 3fki n VAL 32 Cb 0.57 -0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 32.57 3fki n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fki h ALA 33 N 2.41 -0.48 -0.48 2.33 0.00 -1.79 -3.42 119.26 117.84 3fki h ALA 33 Ca 0.19 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 3fki h ALA 33 Cb 1.36 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 3fki h ALA 33 CO 0.59 -0.45 -0.19 1.63 0.00 0.00 0.00 179.25 180.83 3fki n LYS 34 N -3.92 -1.70 -1.68 0.00 4.76 -1.26 -4.73 118.16 109.63 3fki n LYS 34 Ca -0.04 0.85 -0.43 0.00 -2.87 0.00 0.00 58.31 55.82 3fki n LYS 34 Cb 0.13 -5.27 -0.03 0.00 -1.84 0.00 0.00 35.03 28.01 3fki n LYS 34 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3fki n ILE 35 N -2.21 0.51 0.00 -0.18 3.06 -1.26 -4.78 119.36 114.50 3fki n ILE 35 Ca -0.10 -0.09 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 3fki n ILE 35 Cb 0.58 -2.14 0.00 0.00 0.54 0.00 0.00 39.64 38.62 3fki n ILE 35 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3fki n ARG 36 N 6.26 0.00 -2.81 9.51 0.63 -1.26 -4.72 116.66 124.27 3fki n ARG 36 Ca 0.19 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.70 3fki n ARG 36 Cb 0.37 -0.35 -0.03 0.00 0.45 0.00 0.00 32.46 32.90 3fki n ARG 36 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3fki s PHE 37 N -1.00 3.39 -0.28 -0.14 0.08 -1.26 -4.94 117.98 113.83 3fki s PHE 37 Ca 0.00 1.32 0.28 0.00 0.12 0.00 0.00 56.93 58.64 3fki s PHE 37 Cb 0.00 -3.10 1.01 0.00 -0.57 0.00 0.00 43.02 40.36 3fki s PHE 37 CO 0.00 -0.33 1.81 -1.00 -0.10 0.00 0.00 175.22 175.60 3fki h PRO 38 N 7.41 0.00 -6.69 0.24 0.13 -1.92 -3.22 132.00 127.95 3fki h PRO 38 Ca -0.26 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.35 3fki h PRO 38 Cb 1.11 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.29 3fki h PRO 38 CO 0.88 0.00 0.77 -1.21 -0.23 0.00 0.00 178.00 178.21 3fki s GLU 39 N -3.41 4.27 0.03 0.86 2.02 -1.26 -4.79 118.70 116.42 3fki s GLU 39 Ca 0.04 2.27 -0.11 0.00 0.02 0.00 0.00 54.97 57.19 3fki s GLU 39 Cb 0.09 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 3fki s GLU 39 CO 0.52 -0.44 1.17 1.79 0.02 0.00 0.00 175.26 178.32 3fki h THR 40 N 3.73 0.00 0.00 3.63 1.35 -1.96 -3.36 112.91 116.30 3fki h THR 40 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3fki h THR 40 Cb 1.21 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3fki h THR 40 CO 0.81 0.00 0.00 1.15 -0.25 0.00 0.00 175.52 177.23 3fki n MET 41 N -3.36 0.00 -1.94 4.72 0.00 -1.26 -4.31 117.12 110.97 3fki n MET 41 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.65 3fki n MET 41 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.33 3fki n MET 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3fki n ASP 42 N 0.00 -2.61 -3.97 3.17 2.03 -1.20 -4.76 116.55 109.21 3fki n ASP 42 Ca 0.00 0.77 -0.36 0.00 0.52 0.00 0.00 54.79 55.72 3fki n ASP 42 Cb 0.00 -3.18 -0.08 0.00 -0.72 0.00 0.00 41.12 37.15 3fki n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fki n GLU 43 N 0.89 1.10 -3.41 -0.67 1.02 -0.22 -3.77 120.64 115.59 3fki n GLU 43 Ca -0.15 -1.85 -0.13 0.00 -0.02 0.00 0.00 57.16 55.01 3fki n GLU 43 Cb 0.23 -3.17 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 3fki n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3fki n THR 44 N 7.02 -6.84 0.00 2.62 -1.04 -1.26 -2.79 114.28 111.98 3fki n THR 44 Ca 0.47 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 3fki n THR 44 Cb 0.43 -4.99 0.00 0.00 -1.82 0.00 0.00 70.33 63.95 3fki n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fki n GLN 45 N -2.07 0.00 -2.57 -2.82 6.02 -1.25 -4.98 117.38 109.72 3fki n GLN 45 Ca -0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.49 3fki n GLN 45 Cb 0.60 -1.21 -0.04 0.00 1.02 0.00 0.00 30.24 30.60 3fki n GLN 45 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3fki s THR 46 N -0.44 3.80 1.20 5.09 2.01 -1.12 -5.00 115.64 121.19 3fki s THR 46 Ca 0.00 1.29 -0.13 0.00 0.31 0.00 0.00 61.69 63.16 3fki s THR 46 Cb 0.00 -3.62 0.31 0.00 0.01 0.00 0.00 72.50 69.20 3fki s THR 46 CO 0.00 -0.08 1.01 -0.13 -0.69 0.00 0.00 174.62 174.73 3fki s ARG 47 N -2.74 -1.24 0.10 4.92 3.00 -1.26 -1.06 118.95 120.66 3fki s ARG 47 Ca 0.61 0.84 0.00 0.00 0.00 0.00 0.00 55.73 57.17 3fki s ARG 47 Cb -0.19 -1.51 0.00 0.00 0.00 0.00 0.00 34.95 33.24 3fki s ARG 47 CO 0.24 -3.94 0.00 0.00 0.00 0.00 0.00 175.30 171.60 3fki n ALA 48 N -5.07 -0.82 -2.49 2.13 0.00 -1.26 -4.42 120.51 108.58 3fki n ALA 48 Ca 0.02 0.14 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 3fki n ALA 48 Cb 0.54 -0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 3fki n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fki s LYS 49 N -1.96 1.78 0.41 0.00 1.02 -1.26 -3.27 119.74 116.47 3fki s LYS 49 Ca 0.00 -1.35 0.04 0.00 0.02 0.00 0.00 55.97 54.68 3fki s LYS 49 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3fki s LYS 49 CO 0.00 0.43 0.60 -1.50 -0.92 0.00 0.00 175.35 173.96 3fki s ILE 50 N -1.55 3.76 0.00 2.17 2.07 -1.26 -4.88 121.20 121.52 3fki s ILE 50 Ca 0.21 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 3fki s ILE 50 Cb -0.09 -3.35 0.00 0.00 0.13 0.00 0.00 42.46 39.16 3fki s ILE 50 CO 0.12 -0.19 0.81 0.61 -1.91 0.00 0.00 174.94 174.38 3fki n GLY 51 N -1.92 1.46 0.00 1.50 0.00 -1.26 -4.28 105.19 100.69 3fki n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3fki n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fki n GLY 52 N 0.83 0.28 3.91 -0.02 0.00 -1.26 -4.80 105.19 104.13 3fki n GLY 52 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3fki n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fki s LEU 53 N 0.00 3.25 0.00 0.99 0.20 -1.22 -3.98 118.68 117.91 3fki s LEU 53 Ca 0.00 0.83 0.00 0.00 0.69 0.00 0.00 54.13 55.65 3fki s LEU 53 Cb 0.00 -3.68 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 3fki s LEU 53 CO 0.00 -1.02 0.00 -0.46 -0.29 0.00 0.00 176.35 174.58 3fki n ASN 54 N -2.60 0.00 0.00 3.68 6.94 -1.26 -4.42 115.26 117.60 3fki n ASN 54 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 3fki n ASN 54 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3fki n ASN 54 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3fki n ASP 55 N 0.31 0.00 -4.55 0.53 2.03 -1.26 -4.80 116.55 108.81 3fki n ASP 55 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 3fki n ASP 55 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 3fki n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3fki n PRO 56 N 0.00 0.65 -1.03 -0.67 -0.02 -1.26 -0.33 135.00 132.34 3fki n PRO 56 Ca 0.00 -0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 60.96 3fki n PRO 56 Cb 0.00 -3.36 -0.00 0.00 -0.02 0.00 0.00 33.50 30.11 3fki n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fki n ARG 57 N 8.63 -1.55 -0.74 -0.52 1.74 -1.26 -4.50 116.66 118.46 3fki n ARG 57 Ca 0.46 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 3fki n ARG 57 Cb 0.43 -4.62 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 3fki n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fki n LEU 58 N -0.13 0.00 -4.70 0.55 4.77 0.55 -3.72 117.00 114.33 3fki n LEU 58 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 3fki n LEU 58 Cb 0.40 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3fki n LEU 58 CO 0.02 -0.46 0.85 0.61 -1.33 0.00 0.00 177.39 177.08 3fki n GLY 59 N 5.00 0.45 3.89 -0.72 0.00 -1.26 -4.35 105.19 108.20 3fki n GLY 59 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3fki n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fki s SER 60 N -0.80 6.17 0.09 1.61 0.15 -1.26 -4.55 113.70 115.11 3fki s SER 60 Ca 0.67 1.15 0.00 0.00 0.70 0.00 0.00 55.95 58.48 3fki s SER 60 Cb -0.46 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 3fki s SER 60 CO 0.53 -0.78 0.00 -0.38 1.20 0.00 0.00 173.24 173.81 3fki n ILE 61 N -2.54 0.50 -1.20 6.45 2.08 -1.26 -4.81 119.36 118.57 3fki n ILE 61 Ca 0.04 0.17 -0.29 0.00 0.56 0.00 0.00 62.75 63.22 3fki n ILE 61 Cb 0.55 -1.03 -0.08 0.00 -0.75 0.00 0.00 39.64 38.33 3fki n ILE 61 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3fki n ASP 62 N -3.08 7.53 -4.23 4.38 2.03 -1.26 -4.62 116.55 117.30 3fki n ASP 62 Ca 0.00 -2.54 -0.30 0.00 0.52 0.00 0.00 54.79 52.47 3fki n ASP 62 Cb 0.00 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 38.81 3fki n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3fki n ARG 63 N 3.19 -1.59 0.00 -0.67 1.74 -1.26 -4.95 116.66 113.13 3fki n ARG 63 Ca 0.66 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 3fki n ARG 63 Cb 0.47 -3.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.00 3fki n ARG 63 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fki n ASN 64 N -2.89 0.00 0.00 0.55 3.02 -1.26 -5.11 115.26 109.57 3fki n ASN 64 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3fki n ASN 64 Cb 0.68 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 3fki n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fki n LEU 65 N 0.00 0.54 -4.64 3.41 4.77 -1.26 -4.47 117.00 115.36 3fki n LEU 65 Ca 0.00 0.00 -0.66 0.00 -0.03 0.00 0.00 56.01 55.32 3fki n LEU 65 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3fki n LEU 65 CO 0.00 -0.07 1.09 0.29 -1.33 0.00 0.00 177.39 177.37 3fki n LYS 66 N -2.42 0.00 -2.68 3.23 5.02 -1.26 -3.88 118.16 116.17 3fki n LYS 66 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 3fki n LYS 66 Cb 0.23 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3fki n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fki n GLN 68 N -0.45 -3.61 0.00 0.00 7.27 -1.24 -3.23 117.38 116.12 3fki n GLN 68 Ca -0.16 0.75 0.00 0.00 0.07 0.00 0.00 57.00 57.67 3fki n GLN 68 Cb 0.73 -5.36 0.00 0.00 2.41 0.00 0.00 30.24 28.02 3fki n GLN 68 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3fki n THR 69 N -3.32 0.00 -0.40 1.69 -1.04 -1.26 -4.71 114.28 105.24 3fki n THR 69 Ca -0.14 0.00 0.35 0.00 -2.04 0.00 0.00 64.05 62.21 3fki n THR 69 Cb 0.62 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 69.75 3fki n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fki n GLN 71 N -4.91 0.00 0.00 0.00 7.27 -1.25 -4.87 117.38 113.63 3fki n GLN 71 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.45 3fki n GLN 71 Cb 1.38 0.00 0.00 0.00 2.41 0.00 0.00 30.24 34.03 3fki n GLN 71 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3fki n GLU 72 N 11.80 0.00 -1.04 3.69 -0.58 -1.26 -4.59 120.64 128.66 3fki n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3fki n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3fki n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fki n GLY 73 N 0.00 -2.03 5.50 0.62 0.00 -1.26 -4.76 105.19 103.26 3fki n GLY 73 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3fki n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fki n MET 74 N 0.04 0.00 -1.68 1.61 2.81 -1.26 -4.58 117.12 114.05 3fki n MET 74 Ca 0.00 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.44 3fki n MET 74 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 3fki n MET 74 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3fki n ASN 75 N 0.79 3.70 0.00 7.83 4.05 -1.26 -1.15 115.26 129.21 3fki n ASN 75 Ca 0.00 0.98 0.00 0.00 0.45 0.00 0.00 54.58 56.01 3fki n ASN 75 Cb 0.00 -1.46 0.00 0.00 1.23 0.00 0.00 39.78 39.55 3fki n ASN 75 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3fki n GLU 76 N 5.97 0.00 -2.09 1.20 4.07 -1.26 -4.95 120.64 123.58 3fki n GLU 76 Ca 0.20 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.87 3fki n GLU 76 Cb 0.34 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.69 3fki n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3fki s PRO 78 N 4.07 0.36 -0.55 0.00 0.02 -1.26 -4.77 135.00 132.87 3fki s PRO 78 Ca 0.70 -0.53 -0.17 0.00 0.02 0.00 0.00 61.00 61.01 3fki s PRO 78 Cb -0.30 -1.83 0.10 0.00 0.02 0.00 0.00 34.50 32.50 3fki s PRO 78 CO 0.27 -2.58 0.58 0.20 -0.33 0.00 0.00 177.00 175.14 3fki s GLY 79 N -4.96 1.92 0.22 0.52 0.00 -1.26 -4.92 107.32 98.85 3fki s GLY 79 Ca 0.77 -2.27 -0.23 0.00 0.00 0.00 0.00 44.72 42.99 3fki s GLY 79 CO 0.54 1.36 0.78 -2.38 0.00 0.00 0.00 173.10 173.40 3fki s HIS 80 N 2.16 3.74 0.79 1.90 -3.43 -1.26 -4.87 115.29 114.32 3fki s HIS 80 Ca 0.08 1.54 -0.07 0.00 -0.80 0.00 0.00 55.06 55.81 3fki s HIS 80 Cb -0.26 -2.72 0.13 0.00 -1.43 0.00 0.00 32.58 28.30 3fki s HIS 80 CO 0.06 0.37 1.10 -0.06 -2.00 0.00 0.00 174.74 174.21 3fki s PHE 81 N -1.41 1.94 0.14 0.38 0.40 -1.26 -4.37 117.98 113.79 3fki s PHE 81 Ca 0.42 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.88 3fki s PHE 81 Cb -0.19 -3.39 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 3fki s PHE 81 CO 0.23 -1.92 -0.11 0.20 0.70 0.00 0.00 175.22 174.33 3fki s GLY 82 N -4.73 1.08 -0.03 4.36 0.00 -0.36 -3.84 107.32 103.80 3fki s GLY 82 Ca 0.67 -1.45 0.07 0.00 0.00 0.00 0.00 44.72 44.00 3fki s GLY 82 CO 0.47 -1.55 -0.24 -2.38 0.00 0.00 0.00 173.10 169.40 3fki s HIS 83 N -3.08 2.22 -0.08 1.90 -3.43 -1.26 0.16 115.29 111.71 3fki s HIS 83 Ca 0.15 -0.53 0.03 0.00 -0.80 0.00 0.00 55.06 53.92 3fki s HIS 83 Cb 0.01 -1.44 0.01 0.00 -1.43 0.00 0.00 32.58 29.72 3fki s HIS 83 CO 0.01 -0.11 -0.18 -1.50 -2.00 0.00 0.00 174.74 170.96 3fki s ILE 84 N -0.37 1.60 0.36 -5.38 2.07 0.34 -4.14 121.20 115.67 3fki s ILE 84 Ca 0.04 -0.75 -0.25 0.00 -1.41 0.00 0.00 60.65 58.28 3fki s ILE 84 Cb -0.11 -1.41 -0.10 0.00 0.13 0.00 0.00 42.46 40.97 3fki s ILE 84 CO 0.01 0.46 0.96 -1.81 -1.91 0.00 0.00 174.94 172.65 3fki s ASP 85 N 0.48 7.16 -0.02 4.50 1.01 -1.26 -2.05 116.67 126.48 3fki s ASP 85 Ca -0.16 1.83 0.06 0.00 0.71 0.00 0.00 52.55 54.98 3fki s ASP 85 Cb -0.17 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 3fki s ASP 85 CO 0.06 -0.20 -0.19 -0.76 0.21 0.00 0.00 175.17 174.29 3fki s LEU 86 N -2.42 2.48 0.13 1.23 1.43 -1.23 -4.96 118.68 115.33 3fki s LEU 86 Ca 0.54 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 3fki s LEU 86 Cb -0.17 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 3fki s LEU 86 CO 0.22 0.32 1.56 0.00 0.23 0.00 0.00 176.35 178.67 3fki h ALA 87 N 5.22 0.57 -3.23 4.21 0.00 -1.91 -3.45 119.26 120.67 3fki h ALA 87 Ca -0.46 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 53.92 3fki h ALA 87 Cb 1.14 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.56 3fki h ALA 87 CO 0.48 0.39 -0.72 0.15 0.00 0.00 0.00 179.25 179.56 3fki s LYS 88 N -4.90 0.40 0.47 0.00 1.02 -1.26 -5.05 119.74 110.42 3fki s LYS 88 Ca -0.13 -0.59 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 3fki s LYS 88 Cb 0.10 -0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 37.18 3fki s LYS 88 CO 0.81 0.02 1.08 -0.35 -0.92 0.00 0.00 175.35 175.99 3fki n PRO 89 N 1.80 1.42 -4.81 -1.68 -0.04 -1.26 -5.00 135.00 125.43 3fki n PRO 89 Ca -0.21 0.51 -0.26 0.00 -0.04 0.00 0.00 63.50 63.50 3fki n PRO 89 Cb 0.56 -2.18 -0.16 0.00 -0.04 0.00 0.00 33.50 31.67 3fki n PRO 89 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fki s VAL 90 N -1.31 1.40 0.25 0.52 1.01 -0.73 -4.77 120.40 116.77 3fki s VAL 90 Ca 0.66 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3fki s VAL 90 Cb -0.50 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 3fki s VAL 90 CO 0.55 0.41 1.38 -0.36 0.00 0.00 0.00 175.10 177.08 3fki s PHE 91 N 0.07 3.09 -0.06 5.22 0.40 -1.26 -1.03 117.98 124.41 3fki s PHE 91 Ca -0.04 1.14 -0.30 0.00 -0.60 0.00 0.00 56.93 57.13 3fki s PHE 91 Cb -0.12 -3.74 -0.02 0.00 0.51 0.00 0.00 43.02 39.65 3fki s PHE 91 CO 0.02 -2.33 1.03 -1.58 0.70 0.00 0.00 175.22 173.06 3fki s HIS 92 N -0.16 3.51 0.20 0.36 5.65 -1.17 -4.81 115.29 118.88 3fki s HIS 92 Ca 0.57 1.57 -0.10 0.00 0.25 0.00 0.00 55.06 57.35 3fki s HIS 92 Cb -0.40 -3.21 0.27 0.00 -1.18 0.00 0.00 32.58 28.06 3fki s HIS 92 CO 0.43 -0.33 1.73 0.28 -0.65 0.00 0.00 174.74 176.20 3fki h VAL 93 N 4.98 0.74 0.00 0.89 2.07 -1.90 -2.02 116.25 121.02 3fki h VAL 93 Ca -0.34 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3fki h VAL 93 Cb 1.17 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3fki h VAL 93 CO 0.83 0.06 0.00 0.61 0.02 0.00 0.00 177.57 179.09 3fki n GLY 94 N -1.30 -1.32 0.13 2.17 0.00 -1.26 -3.24 105.19 100.37 3fki n GLY 94 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3fki n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fki n PHE 95 N -2.00 0.00 -0.32 1.61 3.72 -0.77 -4.57 117.46 115.13 3fki n PHE 95 Ca 0.04 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.64 3fki n PHE 95 Cb 0.27 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.22 3fki n PHE 95 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3fki h ILE 96 N 0.66 0.24 0.11 4.37 5.03 -1.51 0.33 117.51 126.74 3fki h ILE 96 Ca 0.00 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.66 3fki h ILE 96 Cb 0.50 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 3fki h ILE 96 CO 0.00 0.04 -0.05 0.00 -0.68 0.00 0.00 178.15 177.46 3fki h ALA 97 N 1.86 -0.15 -0.36 1.87 0.00 -1.85 -1.97 119.26 118.66 3fki h ALA 97 Ca 0.68 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.37 3fki h ALA 97 Cb 1.52 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3fki h ALA 97 CO -0.67 -0.55 -0.39 0.87 0.00 0.00 0.00 179.25 178.51 3fki h LYS 98 N -0.22 0.87 -0.60 0.00 1.57 -1.21 -0.59 116.57 116.40 3fki h LYS 98 Ca -0.01 -0.46 0.05 0.00 -1.87 0.00 0.00 60.65 58.35 3fki h LYS 98 Cb 0.17 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 3fki h LYS 98 CO 0.02 1.11 0.33 0.82 -0.57 0.00 0.00 179.45 181.16 3fki h ILE 99 N 0.71 0.99 -0.64 1.86 2.04 -0.46 0.28 117.51 122.29 3fki h ILE 99 Ca 0.06 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3fki h ILE 99 Cb 0.97 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3fki h ILE 99 CO 0.09 0.12 0.26 0.50 0.00 0.00 0.00 178.15 179.12 3fki h LYS 100 N 0.63 0.96 -0.68 2.37 3.64 -1.26 -2.13 116.57 120.10 3fki h LYS 100 Ca 0.26 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3fki h LYS 100 Cb 0.13 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3fki h LYS 100 CO -0.15 0.81 0.21 0.87 -2.27 0.00 0.00 179.45 178.91 3fki h LYS 101 N 0.90 1.04 -0.17 1.90 1.57 0.13 -2.22 116.57 119.74 3fki h LYS 101 Ca 0.21 -0.21 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3fki h LYS 101 Cb 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3fki h LYS 101 CO -0.02 0.89 -0.63 0.28 -0.57 0.00 0.00 179.45 179.41 3fki h VAL 102 N 1.00 1.32 0.00 0.50 2.07 -0.46 -2.77 116.25 117.91 3fki h VAL 102 Ca 0.22 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 3fki h VAL 102 Cb 0.29 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3fki h VAL 102 CO -0.01 0.59 -0.11 0.00 0.02 0.00 0.00 177.57 178.06 3fki n GLU 104 N -4.15 0.19 0.00 0.00 1.02 -0.86 -3.83 120.64 113.01 3fki n GLU 104 Ca -0.02 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.28 3fki n GLU 104 Cb 0.19 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 29.89 3fki n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fki s VAL 106 N -3.12 0.54 0.68 0.00 1.01 0.55 -3.70 120.40 116.36 3fki s VAL 106 Ca 0.05 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3fki s VAL 106 Cb 0.16 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.94 3fki s VAL 106 CO 0.86 0.25 1.12 0.00 0.00 0.00 0.00 175.10 177.34 3fki n MET 108 N -2.59 -0.89 0.00 0.00 2.81 -1.26 -3.14 117.12 112.05 3fki n MET 108 Ca 0.11 -1.03 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 3fki n MET 108 Cb 0.52 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 32.30 3fki n MET 108 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3fki n HIS 109 N -3.06 0.00 -0.03 2.03 8.25 -1.26 -3.47 115.22 117.68 3fki n HIS 109 Ca 0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.39 3fki n HIS 109 Cb 0.30 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.29 3fki n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fki n GLY 111 N 1.12 -0.48 3.21 0.00 0.00 -1.19 -4.80 105.19 103.05 3fki n GLY 111 Ca -0.10 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3fki n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fki s LYS 112 N -2.30 0.96 0.47 1.61 2.20 -1.26 -4.14 119.74 117.28 3fki s LYS 112 Ca 0.00 -1.28 -0.25 0.00 -0.36 0.00 0.00 55.97 54.08 3fki s LYS 112 Cb -0.00 0.29 -0.08 0.00 -1.51 0.00 0.00 37.83 36.54 3fki s LYS 112 CO 0.04 -0.30 1.42 1.28 -0.36 0.00 0.00 175.35 177.43 3fki n LEU 113 N -0.11 5.23 0.05 5.43 4.77 -1.26 -3.51 117.00 127.61 3fki n LEU 113 Ca -0.08 1.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.96 3fki n LEU 113 Cb 0.63 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 3fki n LEU 113 CO 0.27 -0.23 0.10 -0.07 -1.33 0.00 0.00 177.39 176.14 3fki h LEU 114 N 2.13 -0.20 -9.88 2.23 3.38 -1.98 -3.45 115.31 107.54 3fki h LEU 114 Ca -0.51 0.01 -0.60 0.00 0.09 0.00 0.00 57.88 56.86 3fki h LEU 114 Cb 1.28 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 3fki h LEU 114 CO 0.60 0.26 -0.38 -0.76 0.09 0.00 0.00 178.44 178.25 3fki s LEU 115 N -8.67 4.33 0.00 1.67 1.43 -1.26 -4.93 118.68 111.24 3fki s LEU 115 Ca -0.03 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3fki s LEU 115 Cb 0.00 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3fki s LEU 115 CO 0.10 0.15 0.00 0.47 0.23 0.00 0.00 176.35 177.30 3fki n ASP 116 N 0.50 0.94 0.16 2.29 8.00 -1.26 -5.01 116.55 122.18 3fki n ASP 116 Ca -0.06 -0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.50 3fki n ASP 116 Cb 0.52 0.00 0.58 0.00 -0.02 0.00 0.00 41.12 42.20 3fki n ASP 116 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3fki h GLU 117 N 0.00 0.00 -0.27 -1.24 3.07 -1.99 -3.04 114.58 111.11 3fki h GLU 117 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 3fki h GLU 117 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fki h GLU 117 CO 0.00 0.00 -0.33 0.45 -1.40 0.00 0.00 179.01 177.73 3fki h HIS 118 N 0.00 0.86 -3.07 4.33 3.86 -1.95 -3.45 115.15 115.73 3fki h HIS 118 Ca 0.00 -0.27 -0.60 0.00 -1.16 0.00 0.00 60.37 58.34 3fki h HIS 118 Cb 0.22 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.46 3fki h HIS 118 CO 0.00 1.03 -0.20 1.21 0.86 0.00 0.00 177.93 180.84 3fki s ASN 119 N -6.60 6.78 1.05 2.45 3.04 -1.15 -4.74 114.94 115.76 3fki s ASN 119 Ca -0.12 0.94 -0.16 0.00 0.04 0.00 0.00 52.86 53.56 3fki s ASN 119 Cb 0.09 -2.24 0.22 0.00 -1.54 0.00 0.00 41.25 37.78 3fki s ASN 119 CO 0.84 0.26 1.16 -1.61 -3.04 0.00 0.00 177.10 174.71 3fki s GLU 120 N -1.38 -0.04 0.00 0.43 0.41 -1.26 -3.68 118.70 113.18 3fki s GLU 120 Ca 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 3fki s GLU 120 Cb -0.16 -1.73 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 3fki s GLU 120 CO 0.15 -2.94 0.00 1.28 -0.49 0.00 0.00 175.26 173.27 3fki n LEU 121 N -4.23 0.00 0.05 1.80 4.77 -1.26 -4.48 117.00 113.65 3fki n LEU 121 Ca 0.11 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3fki n LEU 121 Cb 0.59 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.79 3fki n LEU 121 CO 0.50 0.00 0.50 -0.03 -1.33 0.00 0.00 177.39 177.02 3fki h MET 122 N 0.00 0.38 -0.32 3.23 4.05 -1.88 -2.76 114.93 117.63 3fki h MET 122 Ca 0.00 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.18 3fki h MET 122 Cb 0.00 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 3fki h MET 122 CO 0.00 0.84 0.19 -0.09 0.23 0.00 0.00 176.91 178.07 3fki h ARG 123 N 0.29 0.44 0.00 0.39 2.43 -1.78 0.91 114.38 117.05 3fki h ARG 123 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3fki h ARG 123 Cb 1.07 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3fki h ARG 123 CO 0.09 0.35 0.00 1.96 -1.51 0.00 0.00 179.97 180.86 3fki h GLN 124 N 0.41 0.00 0.21 0.20 4.20 -1.93 -2.59 115.11 115.61 3fki h GLN 124 Ca 0.11 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.49 3fki h GLN 124 Cb 0.03 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.83 3fki h GLN 124 CO -0.02 0.00 -1.57 0.00 -0.67 0.00 0.00 178.83 176.57 3fki h ALA 125 N 2.14 0.02 0.00 3.87 0.00 -1.11 -3.36 119.26 120.82 3fki h ALA 125 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 54.91 53.86 3fki h ALA 125 Cb 0.52 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3fki h ALA 125 CO 0.00 0.84 -0.23 -0.07 0.00 0.00 0.00 179.25 179.79 3fki h LEU 126 N 0.06 0.00 -0.90 0.00 3.38 -0.70 -3.25 115.31 113.90 3fki h LEU 126 Ca -0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 3fki h LEU 126 Cb 2.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 3fki h LEU 126 CO 0.21 0.23 -0.51 0.00 0.09 0.00 0.00 178.44 178.46 3fki h ALA 127 N 1.77 1.05 -2.52 1.53 0.00 -1.61 -3.44 119.26 116.03 3fki h ALA 127 Ca -0.00 -0.46 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 3fki h ALA 127 Cb 0.77 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.51 3fki h ALA 127 CO 0.03 0.63 0.92 0.42 0.00 0.00 0.00 179.25 181.26 3fki s ILE 128 N -3.70 2.90 -0.80 0.00 1.01 -1.23 -4.92 121.20 114.46 3fki s ILE 128 Ca -0.01 0.52 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 3fki s ILE 128 Cb 0.12 -3.33 0.25 0.00 0.01 0.00 0.00 42.46 39.51 3fki s ILE 128 CO 0.73 0.02 2.24 0.29 0.00 0.00 0.00 174.94 178.22 3fki n LYS 129 N 4.80 3.18 -4.32 2.79 5.02 -1.26 -4.82 118.16 123.55 3fki n LYS 129 Ca 0.15 -3.35 -0.24 0.00 -2.02 0.00 0.00 58.31 52.84 3fki n LYS 129 Cb 0.40 -2.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.00 3fki n LYS 129 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fki s ASP 130 N -0.61 2.71 -0.03 4.39 -1.08 -1.26 -5.09 116.67 115.70 3fki s ASP 130 Ca 0.52 -0.76 -0.19 0.00 -0.52 0.00 0.00 52.55 51.60 3fki s ASP 130 Cb 0.37 -0.16 -0.12 0.00 -1.46 0.00 0.00 42.92 41.55 3fki s ASP 130 CO -0.30 0.04 0.83 0.28 0.52 0.00 0.00 175.17 176.54 3fki h SER 131 N 3.73 -0.42 0.00 -0.34 0.02 -1.94 -3.32 113.55 111.28 3fki h SER 131 Ca -0.45 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3fki h SER 131 Cb 1.19 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3fki h SER 131 CO 0.44 0.03 -1.40 2.29 -1.14 0.00 0.00 176.83 177.05 3fki n LYS 132 N -5.11 0.86 0.02 3.45 2.85 -1.26 -3.86 118.16 115.10 3fki n LYS 132 Ca -0.08 -0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 56.97 3fki n LYS 132 Cb 0.25 -1.38 0.02 0.00 -0.65 0.00 0.00 35.03 33.27 3fki n LYS 132 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3fki h LYS 133 N 0.00 0.54 -0.22 -1.58 1.63 -1.91 -1.78 116.57 113.25 3fki h LYS 133 Ca 0.00 -0.41 -0.07 0.00 -0.85 0.00 0.00 60.65 59.32 3fki h LYS 133 Cb 0.64 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 3fki h LYS 133 CO 0.00 1.03 -0.15 -0.09 -3.45 0.00 0.00 179.45 176.79 3fki h ARG 134 N 0.39 0.49 -0.88 1.90 2.43 -1.76 -3.03 114.38 113.92 3fki h ARG 134 Ca -0.02 -0.23 0.12 0.00 -0.81 0.00 0.00 59.98 59.04 3fki h ARG 134 Cb 1.25 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 3fki h ARG 134 CO 0.13 0.79 0.57 0.35 -1.51 0.00 0.00 179.97 180.29 3fki h PHE 135 N 0.19 0.86 -0.84 2.20 3.57 -1.66 -3.16 116.94 118.10 3fki h PHE 135 Ca 0.04 0.02 -0.46 0.00 3.53 0.00 0.00 57.97 61.11 3fki h PHE 135 Cb 0.66 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 3fki h PHE 135 CO 0.07 0.35 1.24 0.00 -2.23 0.00 0.00 178.31 177.74 3fki s ALA 136 N -5.72 2.27 -0.11 2.41 0.00 -0.67 -3.72 121.76 116.21 3fki s ALA 136 Ca -0.10 -2.04 -0.07 0.00 0.00 0.00 0.00 51.96 49.75 3fki s ALA 136 Cb 0.21 -4.57 0.03 0.00 0.00 0.00 0.00 23.12 18.79 3fki s ALA 136 CO 0.79 -4.25 0.13 0.00 0.00 0.00 0.00 175.76 172.44 3fki n ALA 137 N 11.48 -3.40 0.00 0.00 0.00 -1.24 -4.81 120.51 122.54 3fki n ALA 137 Ca 0.39 1.30 0.00 0.00 0.00 0.00 0.00 53.44 55.13 3fki n ALA 137 Cb 0.48 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.39 3fki n ALA 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fki n ILE 138 N 0.91 0.00 0.00 0.00 2.08 -1.19 -4.83 119.36 116.33 3fki n ILE 138 Ca -0.22 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3fki n ILE 138 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 3fki n ILE 138 CO 0.00 0.00 0.00 1.87 0.56 0.00 0.00 176.55 178.98 3fki n TRP 139 N 1.31 0.00 0.18 1.39 -0.00 -1.24 0.86 117.44 119.94 3fki n TRP 139 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.53 3fki n TRP 139 Cb 0.00 0.00 0.41 0.00 -0.00 0.00 0.00 31.31 31.72 3fki n TRP 139 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 3fki h THR 140 N 0.00 1.20 -0.02 5.87 1.35 -1.92 0.12 112.91 119.51 3fki h THR 140 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3fki h THR 140 Cb 0.00 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3fki h THR 140 CO 0.00 0.27 0.00 0.18 -0.25 0.00 0.00 175.52 175.72 3fki n LEU 141 N -4.21 0.31 0.00 3.87 4.77 0.25 -2.89 117.00 119.10 3fki n LEU 141 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3fki n LEU 141 Cb 0.32 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3fki n LEU 141 CO 0.38 0.06 0.21 0.00 -1.33 0.00 0.00 177.39 176.70 3fki n LYS 143 N -0.02 0.93 0.00 0.00 4.81 0.21 -4.59 118.16 119.51 3fki n LYS 143 Ca 0.00 -0.77 -0.00 0.00 -0.87 0.00 0.00 58.31 56.67 3fki n LYS 143 Cb 0.06 -1.48 -0.00 0.00 0.02 0.00 0.00 35.03 33.63 3fki n LYS 143 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3fki h THR 144 N 1.88 0.00 0.00 3.15 2.02 -1.83 -3.46 112.91 114.66 3fki h THR 144 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3fki h THR 144 Cb 0.70 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3fki h THR 144 CO 0.00 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.06 3fki n LYS 145 N -2.55 0.00 -1.29 6.66 3.00 -1.26 -5.18 118.16 117.54 3fki n LYS 145 Ca -0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 3fki n LYS 145 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.97 3fki n LYS 145 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3fki n MET 146 N -1.81 -2.84 -2.23 1.64 2.81 -1.26 -5.04 117.12 108.39 3fki n MET 146 Ca 0.00 2.16 0.00 0.00 -1.81 0.00 0.00 57.70 58.05 3fki n MET 146 Cb 0.00 -3.37 0.00 0.00 -0.71 0.00 0.00 33.22 29.14 3fki n MET 146 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3fki n VAL 147 N -4.12-11.82 -2.48 2.03 0.31 -1.26 -4.77 118.33 96.23 3fki n VAL 147 Ca -0.04 2.86 -0.39 0.00 -0.01 0.00 0.00 64.34 66.76 3fki n VAL 147 Cb 0.60 -5.33 -0.03 0.00 -0.91 0.00 0.00 33.84 28.18 3fki n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fki s GLU 149 N 5.22 4.02 -0.11 0.00 -1.05 -1.26 -3.91 118.70 121.62 3fki s GLU 149 Ca 0.51 2.29 -0.13 0.00 -0.15 0.00 0.00 54.97 57.49 3fki s GLU 149 Cb -0.01 -2.84 -0.27 0.00 -0.44 0.00 0.00 34.13 30.57 3fki s GLU 149 CO -0.06 -0.50 0.50 1.15 0.95 0.00 0.00 175.26 177.31 3fki h THR 150 N 2.65 0.91 -3.17 1.83 2.02 -1.87 -3.44 112.91 111.84 3fki h THR 150 Ca -0.50 -2.39 -0.19 0.00 0.77 0.00 0.00 66.41 64.10 3fki h THR 150 Cb 1.24 2.63 -0.28 0.00 -1.74 0.00 0.00 68.15 70.01 3fki h THR 150 CO 0.63 0.74 -0.50 1.51 0.37 0.00 0.00 175.52 178.28 3fki s ASP 151 N -7.07 -0.22 0.11 4.18 -4.77 -1.26 -2.36 116.67 105.29 3fki s ASP 151 Ca -0.21 0.44 0.01 0.00 -3.30 0.00 0.00 52.55 49.49 3fki s ASP 151 Cb 0.05 0.38 -0.04 0.00 -1.09 0.00 0.00 42.92 42.22 3fki s ASP 151 CO 0.77 -0.11 -0.04 0.68 0.70 0.00 0.00 175.17 177.16 3fki s VAL 152 N 0.63 0.62 0.63 2.11 -7.23 -1.08 -4.88 120.40 111.20 3fki s VAL 152 Ca -0.04 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 3fki s VAL 152 Cb -0.06 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 3fki s VAL 152 CO -0.03 -0.76 1.28 -2.16 -0.31 0.00 0.00 175.10 173.11 3fki s PRO 153 N -3.87 2.71 0.00 4.82 0.04 -1.26 -1.87 135.00 135.56 3fki s PRO 153 Ca 0.15 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3fki s PRO 153 Cb 0.06 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3fki s PRO 153 CO -0.03 -1.47 0.00 -1.13 0.04 0.00 0.00 177.00 174.42 3fki n SER 154 N -1.76 0.00 -1.31 6.66 3.41 -1.26 -4.85 113.62 114.51 3fki n SER 154 Ca 0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.74 3fki n SER 154 Cb 0.48 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 3fki n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fki n GLU 155 N 0.00 1.07 0.00 4.33 1.02 -1.26 -4.76 120.64 121.04 3fki n GLU 155 Ca 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3fki n GLU 155 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3fki n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3fki n ASP 156 N 0.92 0.00 -4.73 1.62 8.00 -1.26 -5.12 116.55 115.97 3fki n ASP 156 Ca 0.03 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 3fki n ASP 156 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 3fki n ASP 156 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3fki s ASP 157 N 1.00 7.20 -0.77 -2.24 1.11 -1.26 -4.93 116.67 116.78 3fki s ASP 157 Ca 0.00 2.11 -0.23 0.00 0.18 0.00 0.00 52.55 54.61 3fki s ASP 157 Cb 0.00 -2.60 -0.16 0.00 1.07 0.00 0.00 42.92 41.22 3fki s ASP 157 CO 0.00 -0.29 1.91 -2.65 1.18 0.00 0.00 175.17 175.32 3fki n PRO 158 N 2.59 1.42 0.00 8.23 -0.02 -1.26 -3.58 135.00 142.37 3fki n PRO 158 Ca 0.04 -1.86 0.00 0.00 -2.02 0.00 0.00 63.50 59.66 3fki n PRO 158 Cb 0.46 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 3fki n PRO 158 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3fki n THR 159 N 6.27 0.00 -3.10 3.45 -1.04 -1.26 -5.01 114.28 113.59 3fki n THR 159 Ca 0.49 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 62.05 3fki n THR 159 Cb 0.41 -0.16 -0.03 0.00 -1.82 0.00 0.00 70.33 68.73 3fki n THR 159 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3fki s GLN 160 N -1.35 3.34 -0.48 -2.82 1.11 -1.24 -5.02 119.66 113.21 3fki s GLN 160 Ca 0.00 -1.71 -0.27 0.00 0.01 0.00 0.00 55.36 53.39 3fki s GLN 160 Cb 0.00 -4.49 0.03 0.00 -1.01 0.00 0.00 33.01 27.53 3fki s GLN 160 CO 0.00 -1.56 1.04 -0.51 0.01 0.00 0.00 175.29 174.27 3fki s LEU 161 N 2.12 3.80 0.07 2.90 1.02 -1.26 -4.09 118.68 123.24 3fki s LEU 161 Ca 0.20 0.27 -0.20 0.00 0.02 0.00 0.00 54.13 54.41 3fki s LEU 161 Cb -0.15 -3.36 -0.07 0.00 0.02 0.00 0.00 46.19 42.64 3fki s LEU 161 CO -0.02 -1.18 0.61 -0.69 0.02 0.00 0.00 176.35 175.09 3fki s VAL 162 N 4.17 4.73 0.26 -1.59 1.01 -0.78 -4.69 120.40 123.50 3fki s VAL 162 Ca 0.42 1.30 -0.09 0.00 0.00 0.00 0.00 61.98 63.61 3fki s VAL 162 Cb -0.09 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 3fki s VAL 162 CO 0.29 0.52 0.58 -0.94 0.00 0.00 0.00 175.10 175.55 3fki s SER 163 N -0.90 6.60 0.00 3.32 1.04 -1.26 -2.63 113.70 119.87 3fki s SER 163 Ca 0.30 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.67 3fki s SER 163 Cb -0.20 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3fki s SER 163 CO 0.20 -0.13 0.00 -2.11 0.98 0.00 0.00 173.24 172.18 3fki n ARG 164 N -0.38 0.00 0.00 4.02 1.85 -0.99 -5.00 116.66 116.15 3fki n ARG 164 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 3fki n ARG 164 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 3fki n ARG 164 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fki n GLY 165 N 4.35 1.85 0.00 2.89 0.00 -1.26 -5.11 105.19 107.90 3fki n GLY 165 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3fki n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fki n GLY 166 N 5.00 5.25 2.80 -0.02 0.00 -1.26 -4.79 105.19 112.17 3fki n GLY 166 Ca 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 3fki n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fki n GLY 168 N 0.63 3.42 3.85 0.00 0.00 -1.25 -4.49 105.19 107.35 3fki n GLY 168 Ca 0.01 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 3fki n GLY 168 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fki s ASN 169 N 1.12 6.69 0.17 1.61 0.02 -1.26 -4.78 114.94 118.51 3fki s ASN 169 Ca 0.31 1.33 -0.26 0.00 -1.02 0.00 0.00 52.86 53.22 3fki s ASN 169 Cb 0.20 -2.40 -0.08 0.00 0.02 0.00 0.00 41.25 38.99 3fki s ASN 169 CO -0.03 -0.35 0.79 -0.89 0.02 0.00 0.00 177.10 176.63 3fki s THR 170 N -2.24 4.34 0.11 1.60 2.01 -1.26 -0.81 115.64 119.39 3fki s THR 170 Ca 0.55 1.74 -0.26 0.00 0.31 0.00 0.00 61.69 64.03 3fki s THR 170 Cb -0.10 -4.16 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 3fki s THR 170 CO 0.24 0.52 0.80 -1.10 -0.69 0.00 0.00 174.62 174.39 3fki s GLN 171 N -1.15 4.57 0.41 4.92 -0.21 -1.26 -4.78 119.66 122.16 3fki s GLN 171 Ca 0.36 1.17 -0.21 0.00 0.02 0.00 0.00 55.36 56.70 3fki s GLN 171 Cb -0.23 -3.32 -0.11 0.00 1.00 0.00 0.00 33.01 30.35 3fki s GLN 171 CO 0.27 0.40 0.93 -1.25 -2.12 0.00 0.00 175.29 173.51 3fki s PRO 172 N -0.53 4.25 -0.30 2.91 0.04 -1.26 -4.68 135.00 135.43 3fki s PRO 172 Ca 0.39 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 3fki s PRO 172 Cb -0.22 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 3fki s PRO 172 CO 0.26 0.03 0.58 0.95 0.04 0.00 0.00 177.00 178.86 3fki s THR 173 N -2.09 4.98 -0.15 1.26 -4.23 -0.75 -4.82 115.64 109.85 3fki s THR 173 Ca 0.60 0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 61.85 3fki s THR 173 Cb -0.10 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 69.75 3fki s THR 173 CO 0.15 -0.09 0.08 -0.63 -0.54 0.00 0.00 174.62 173.59 3fki s ILE 174 N 2.50 5.00 0.39 2.99 1.01 -1.26 -2.34 121.20 129.49 3fki s ILE 174 Ca 0.23 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.99 3fki s ILE 174 Cb -0.15 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.05 3fki s ILE 174 CO 0.11 0.53 0.09 0.00 0.00 0.00 0.00 174.94 175.67 3fki s ARG 175 N -0.24 2.13 -0.11 2.79 1.70 -1.14 -5.03 118.95 119.05 3fki s ARG 175 Ca 0.09 -1.86 -0.19 0.00 -0.47 0.00 0.00 55.73 53.29 3fki s ARG 175 Cb -0.12 -1.90 -0.04 0.00 -0.57 0.00 0.00 34.95 32.32 3fki s ARG 175 CO 0.01 -0.02 0.53 0.21 -1.08 0.00 0.00 175.30 174.95 3fki s LYS 176 N -3.80 4.36 -0.39 3.89 2.20 -1.26 -3.92 119.74 120.82 3fki s LYS 176 Ca 0.38 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 3fki s LYS 176 Cb 0.04 -3.44 0.15 0.00 -1.51 0.00 0.00 37.83 33.06 3fki s LYS 176 CO 0.21 0.14 0.25 0.34 -0.36 0.00 0.00 175.35 175.92 3fki s ASP 177 N 0.66 2.87 0.13 1.43 -1.08 -1.16 -5.03 116.67 114.50 3fki s ASP 177 Ca 0.28 -2.47 0.00 0.00 -0.52 0.00 0.00 52.55 49.84 3fki s ASP 177 Cb -0.16 -0.56 0.00 0.00 -1.46 0.00 0.00 42.92 40.74 3fki s ASP 177 CO 0.12 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.15 3fki n GLY 178 N 3.68 0.42 0.00 2.66 0.00 -1.26 -1.43 105.19 109.25 3fki n GLY 178 Ca 0.15 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3fki n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fki n LEU 179 N 0.00 0.40 -4.53 0.99 4.77 -1.26 -4.87 117.00 112.49 3fki n LEU 179 Ca 0.00 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.24 3fki n LEU 179 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3fki n LEU 179 CO 0.00 0.10 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.24 3fki s LYS 180 N -0.18 1.79 -0.10 3.23 1.02 -0.52 -4.98 119.74 120.01 3fki s LYS 180 Ca 0.00 -1.93 0.01 0.00 0.02 0.00 0.00 55.97 54.07 3fki s LYS 180 Cb 0.00 -1.65 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 3fki s LYS 180 CO 0.00 0.13 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.93 3fki s LEU 181 N -3.59 2.85 -0.13 3.17 1.43 -1.26 -2.98 118.68 118.17 3fki s LEU 181 Ca 0.32 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3fki s LEU 181 Cb 0.03 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3fki s LEU 181 CO 0.16 0.26 -0.20 -0.69 0.23 0.00 0.00 176.35 176.11 3fki s VAL 182 N -0.20 2.28 -0.16 -1.59 1.01 -1.25 -0.56 120.40 119.92 3fki s VAL 182 Ca 0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 3fki s VAL 182 Cb -0.13 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3fki s VAL 182 CO 0.03 0.54 -0.14 -0.83 0.00 0.00 0.00 175.10 174.70 3fki s GLY 183 N 0.65 1.48 -0.25 4.51 0.00 -1.10 -2.88 107.32 109.73 3fki s GLY 183 Ca -0.10 -1.07 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 3fki s GLY 183 CO 0.02 0.09 0.14 -1.35 0.00 0.00 0.00 173.10 172.00 3fki s SER 184 N 0.91 5.82 0.43 1.64 1.04 -0.99 -3.54 113.70 119.01 3fki s SER 184 Ca -0.03 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.42 3fki s SER 184 Cb -0.15 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3fki s SER 184 CO -0.01 0.01 0.61 0.26 0.98 0.00 0.00 173.24 175.09 3fki s TRP 185 N 1.39 3.10 0.00 5.02 0.51 -0.91 -1.80 118.94 126.24 3fki s TRP 185 Ca 0.07 -0.01 0.00 0.00 -2.12 0.00 0.00 56.10 54.04 3fki s TRP 185 Cb -0.15 -2.29 0.00 0.00 -0.81 0.00 0.00 33.47 30.23 3fki s TRP 185 CO 0.07 -0.33 0.00 1.63 -0.51 0.00 0.00 176.95 177.80 3fki n LYS 186 N -1.96 1.78 -0.87 4.98 4.01 -1.26 -3.47 118.16 121.37 3fki n LYS 186 Ca 0.02 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.94 3fki n LYS 186 Cb 0.58 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.07 3fki n LYS 186 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3fki n LYS 187 N -0.32 -1.75 -3.15 1.97 5.02 -1.26 -4.76 118.16 113.90 3fki n LYS 187 Ca 0.00 1.16 -0.39 0.00 -2.02 0.00 0.00 58.31 57.06 3fki n LYS 187 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 35.03 32.86 3fki n LYS 187 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3fki n ASP 188 N -2.98 5.67 -3.01 4.39 9.92 -1.25 -4.72 116.55 124.57 3fki n ASP 188 Ca 0.00 -3.39 -0.19 0.00 -0.53 0.00 0.00 54.79 50.68 3fki n ASP 188 Cb 0.40 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 3fki n ASP 188 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3fki n ARG 189 N 1.34 -3.22 -3.10 -1.24 1.74 -1.26 -1.69 116.66 109.22 3fki n ARG 189 Ca 0.27 0.57 -0.22 0.00 -0.77 0.00 0.00 57.85 57.70 3fki n ARG 189 Cb 0.35 -5.27 0.01 0.00 -1.02 0.00 0.00 32.46 26.54 3fki n ARG 189 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fki n ALA 190 N -3.09 -0.99 0.00 7.54 0.00 -1.26 -4.75 120.51 117.96 3fki n ALA 190 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3fki n ALA 190 Cb 0.57 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.85 3fki n ALA 190 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3fki n THR 191 N -4.16 0.00 -2.52 0.00 5.66 -0.92 -4.94 114.28 107.39 3fki n THR 191 Ca -0.08 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.50 3fki n THR 191 Cb 0.59 -0.16 -0.03 0.00 -1.55 0.00 0.00 70.33 69.18 3fki n THR 191 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3fki s GLY 192 N -3.57 2.44 0.00 1.09 0.00 -0.68 -4.63 107.32 101.96 3fki s GLY 192 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3fki s GLY 192 CO 0.00 2.00 0.00 1.22 0.00 0.00 0.00 173.10 176.32 3fki n ASP 193 N 4.36 0.00 0.00 1.64 8.00 -1.26 -3.80 116.55 125.50 3fki n ASP 193 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3fki n ASP 193 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3fki n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fki n ALA 194 N 11.65 0.12 0.06 2.24 0.00 -1.26 -5.08 120.51 128.25 3fki n ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fki n ALA 194 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3fki n ALA 194 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fki n ASP 195 N -1.61 -0.83 -4.79 0.00 5.68 -1.26 -4.78 116.55 108.95 3fki n ASP 195 Ca 0.00 0.23 -0.35 0.00 -0.50 0.00 0.00 54.79 54.17 3fki n ASP 195 Cb 0.00 1.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.95 3fki n ASP 195 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3fki s GLU 196 N -2.00 4.10 0.00 0.11 0.41 -1.26 -4.99 118.70 115.08 3fki s GLU 196 Ca 0.00 1.38 0.00 0.00 -0.41 0.00 0.00 54.97 55.94 3fki s GLU 196 Cb 0.00 -2.37 0.00 0.00 -1.78 0.00 0.00 34.13 29.98 3fki s GLU 196 CO 0.00 -0.17 0.00 -0.35 -0.49 0.00 0.00 175.26 174.25 3fki n PRO 197 N -0.38 0.05 -5.07 0.39 -0.04 -1.26 -4.82 135.00 123.86 3fki n PRO 197 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 3fki n PRO 197 Cb 0.51 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.81 3fki n PRO 197 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fki s GLU 198 N -1.63 2.59 -0.17 0.54 2.02 -1.23 -4.97 118.70 115.86 3fki s GLU 198 Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3fki s GLU 198 Cb 0.00 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.21 3fki s GLU 198 CO 0.00 0.19 -0.18 -0.51 0.02 0.00 0.00 175.26 174.78 3fki s LEU 199 N 0.29 2.02 0.04 1.80 1.43 -1.26 -2.15 118.68 120.84 3fki s LEU 199 Ca -0.14 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3fki s LEU 199 Cb -0.16 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3fki s LEU 199 CO 0.06 -0.02 -0.00 -0.13 0.23 0.00 0.00 176.35 176.49 3fki s ARG 200 N 1.35 0.50 -0.12 1.70 0.52 -1.23 -5.05 118.95 116.63 3fki s ARG 200 Ca 0.05 -0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 54.13 3fki s ARG 200 Cb -0.13 0.18 -0.03 0.00 0.52 0.00 0.00 34.95 35.49 3fki s ARG 200 CO -0.12 -0.10 0.70 0.08 0.02 0.00 0.00 175.30 175.88 3fki s VAL 201 N -2.77 5.02 -0.62 3.52 1.01 -1.26 -2.71 120.40 122.58 3fki s VAL 201 Ca -0.04 1.39 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 3fki s VAL 201 Cb -0.00 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3fki s VAL 201 CO -0.06 0.18 1.20 -0.76 0.00 0.00 0.00 175.10 175.66 3fki s LEU 202 N 1.28 3.43 0.43 3.92 1.43 0.27 -5.00 118.68 124.44 3fki s LEU 202 Ca 0.35 -0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.12 3fki s LEU 202 Cb -0.17 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 3fki s LEU 202 CO 0.15 -1.56 1.10 -0.94 0.23 0.00 0.00 176.35 175.33 3fki s SER 203 N 3.18 6.46 0.33 2.29 1.04 -1.26 -4.37 113.70 121.37 3fki s SER 203 Ca 0.40 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.98 3fki s SER 203 Cb -0.08 -2.59 0.55 0.00 0.10 0.00 0.00 66.02 64.00 3fki s SER 203 CO 0.22 -0.71 1.99 0.74 0.98 0.00 0.00 173.24 176.46 3fki h THR 204 N 2.00 1.18 -0.53 2.02 2.02 -1.95 -0.46 112.91 117.19 3fki h THR 204 Ca -0.49 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 3fki h THR 204 Cb 1.23 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3fki h THR 204 CO 0.61 0.18 0.12 -0.33 0.37 0.00 0.00 175.52 176.47 3fki h GLU 205 N 0.97 0.86 -0.29 6.66 3.07 -1.93 0.46 114.58 124.39 3fki h GLU 205 Ca 0.27 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3fki h GLU 205 Cb -0.10 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 3fki h GLU 205 CO -0.06 0.82 0.08 1.49 -1.40 0.00 0.00 179.01 179.94 3fki h GLU 206 N 0.75 0.46 0.14 2.33 4.81 -1.81 -2.29 114.58 118.98 3fki h GLU 206 Ca 0.16 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3fki h GLU 206 Cb 0.36 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3fki h GLU 206 CO 0.00 0.53 -0.12 0.82 -0.73 0.00 0.00 179.01 179.51 3fki h ILE 207 N 0.31 0.74 -0.86 2.32 1.08 -0.88 -2.80 117.51 117.43 3fki h ILE 207 Ca 0.09 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 3fki h ILE 207 Cb 0.26 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 3fki h ILE 207 CO -0.00 0.00 0.56 0.25 -0.69 0.00 0.00 178.15 178.27 3fki h LEU 208 N -0.28 0.87 -1.04 1.44 6.46 -0.92 -2.72 115.31 119.12 3fki h LEU 208 Ca -0.00 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3fki h LEU 208 Cb 0.25 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 39.94 3fki h LEU 208 CO -0.01 0.57 0.65 -1.13 -0.62 0.00 0.00 178.44 177.89 3fki h ASN 209 N 0.99 1.10 0.17 1.25 -0.00 -1.14 -1.76 115.58 116.19 3fki h ASN 209 Ca 0.36 -0.02 -0.17 0.00 -0.00 0.00 0.00 56.30 56.47 3fki h ASN 209 Cb 0.15 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.19 3fki h ASN 209 CO -0.12 0.79 -0.63 0.40 -0.00 0.00 0.00 177.43 177.86 3fki h ILE 210 N 1.30 1.35 -0.22 2.57 2.04 -1.35 -3.19 117.51 120.01 3fki h ILE 210 Ca 0.37 -1.96 -0.09 0.00 1.00 0.00 0.00 64.86 64.18 3fki h ILE 210 Cb -0.10 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3fki h ILE 210 CO -0.09 0.60 -0.26 -0.26 0.00 0.00 0.00 178.15 178.13 3fki h PHE 211 N 0.33 0.46 -0.00 1.37 0.04 -1.21 -2.47 116.94 115.46 3fki h PHE 211 Ca -0.01 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.66 3fki h PHE 211 Cb 1.18 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3fki h PHE 211 CO 0.04 0.64 -0.00 1.17 -0.60 0.00 0.00 178.31 179.56 3fki n LYS 212 N -4.12 0.83 -0.00 1.51 4.81 -0.71 -2.97 118.16 117.51 3fki n LYS 212 Ca -0.01 -0.01 0.07 0.00 -0.87 0.00 0.00 58.31 57.50 3fki n LYS 212 Cb 0.40 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 34.01 3fki n LYS 212 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3fki n HIS 213 N -1.08 0.01 -2.20 5.64 8.25 -0.94 -4.99 115.22 119.91 3fki n HIS 213 Ca 0.21 -0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 3fki n HIS 213 Cb 0.15 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3fki n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fki s ILE 214 N -1.14 3.27 0.87 1.59 1.01 -1.16 -4.80 121.20 120.84 3fki s ILE 214 Ca 0.16 0.98 -0.10 0.00 0.00 0.00 0.00 60.65 61.69 3fki s ILE 214 Cb 0.11 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 39.07 3fki s ILE 214 CO 0.17 0.12 1.14 -0.55 0.00 0.00 0.00 174.94 175.82 3fki s SER 215 N 0.64 3.39 0.11 3.58 0.15 -1.26 -4.82 113.70 115.49 3fki s SER 215 Ca 0.60 2.11 -0.23 0.00 0.70 0.00 0.00 55.95 59.12 3fki s SER 215 Cb -0.36 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.29 3fki s SER 215 CO 0.35 -2.79 1.70 0.58 1.20 0.00 0.00 173.24 174.28 3fki h VAL 216 N -1.59 0.77 0.00 4.45 2.07 -2.01 -1.87 116.25 118.08 3fki h VAL 216 Ca -0.43 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3fki h VAL 216 Cb 1.26 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3fki h VAL 216 CO 0.44 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 178.13 3fki h LYS 217 N -0.15 0.00 0.00 1.57 1.57 -2.00 -2.99 116.57 114.57 3fki h LYS 217 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fki h LYS 217 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3fki h LYS 217 CO -0.09 0.01 0.00 -0.44 -0.57 0.00 0.00 179.45 178.36 3fki h ASP 218 N 0.00 0.00 0.05 0.86 5.19 -1.72 -0.77 116.42 120.03 3fki h ASP 218 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3fki h ASP 218 Cb 0.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.22 3fki h ASP 218 CO 0.00 0.00 -0.02 -0.26 -3.12 0.00 0.00 179.24 175.84 3fki h PHE 219 N 0.00 -0.06 0.00 4.55 0.04 -1.23 -3.27 116.94 116.97 3fki h PHE 219 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fki h PHE 219 Cb 0.75 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.92 3fki h PHE 219 CO 0.00 0.18 0.00 1.79 -0.60 0.00 0.00 178.31 179.68 3fki h THR 220 N -0.29 0.00 -0.54 -1.55 1.35 -1.59 -2.97 112.91 107.31 3fki h THR 220 Ca -0.01 -0.80 -0.08 0.00 -0.55 0.00 0.00 66.41 64.97 3fki h THR 220 Cb 0.26 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 3fki h THR 220 CO 0.01 0.00 0.03 0.77 -0.25 0.00 0.00 175.52 176.08 3fki h SER 221 N 0.00 0.87 -2.39 5.36 4.64 -1.21 -3.43 113.55 117.39 3fki h SER 221 Ca 0.00 -0.21 -0.46 0.00 -0.47 0.00 0.00 61.79 60.64 3fki h SER 221 Cb 0.82 -0.23 0.08 0.00 -0.31 0.00 0.00 62.40 62.76 3fki h SER 221 CO 0.00 0.91 0.12 -0.76 -0.87 0.00 0.00 176.83 176.24 3fki s LEU 222 N -9.25 2.97 -1.27 5.97 1.43 -1.13 -4.75 118.68 112.65 3fki s LEU 222 Ca -0.10 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 3fki s LEU 222 Cb 0.14 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 3fki s LEU 222 CO 0.83 -1.85 2.41 0.61 0.23 0.00 0.00 176.35 178.57 3fki n GLY 223 N -2.86 3.73 3.09 -3.19 0.00 -1.25 -4.85 105.19 99.86 3fki n GLY 223 Ca 0.14 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 3fki n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fki s PHE 224 N 3.17 0.41 0.26 1.61 0.40 -1.20 -3.82 117.98 118.81 3fki s PHE 224 Ca 0.55 -0.88 0.10 0.00 -0.60 0.00 0.00 56.93 56.10 3fki s PHE 224 Cb 0.14 -0.30 -0.05 0.00 0.51 0.00 0.00 43.02 43.33 3fki s PHE 224 CO -0.03 -0.37 -0.10 1.21 0.70 0.00 0.00 175.22 176.62 3fki s ASN 225 N -2.65 4.11 0.04 1.36 3.84 -1.17 -3.96 114.94 116.50 3fki s ASN 225 Ca 0.03 -0.79 -0.29 0.00 0.21 0.00 0.00 52.86 52.02 3fki s ASN 225 Cb 0.04 -0.60 -0.16 0.00 -0.55 0.00 0.00 41.25 39.98 3fki s ASN 225 CO -0.08 0.04 1.31 -0.08 -2.79 0.00 0.00 177.10 175.49 3fki h GLU 226 N 2.23 -1.00 -0.42 0.43 4.81 -1.93 -3.14 114.58 115.56 3fki h GLU 226 Ca -0.43 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3fki h GLU 226 Cb 1.25 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.85 3fki h GLU 226 CO 0.59 -0.67 0.00 1.55 -0.73 0.00 0.00 179.01 179.75 3fki n VAL 227 N -5.07 1.14 -0.02 0.32 3.14 -1.26 -4.53 118.33 112.05 3fki n VAL 227 Ca -0.13 -1.08 -0.04 0.00 -2.96 0.00 0.00 64.34 60.14 3fki n VAL 227 Cb 0.41 0.42 -0.01 0.00 -1.06 0.00 0.00 33.84 33.60 3fki n VAL 227 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3fki n PHE 228 N 0.65 0.00 -3.29 1.45 3.01 -1.26 -4.97 117.46 113.06 3fki n PHE 228 Ca 0.15 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.36 3fki n PHE 228 Cb 0.52 -0.14 -0.08 0.00 -0.01 0.00 0.00 39.48 39.77 3fki n PHE 228 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fki n SER 229 N -3.03 -0.31 -4.69 4.37 3.41 -1.19 -1.73 113.62 110.45 3fki n SER 229 Ca -0.07 -2.52 -0.42 0.00 -0.26 0.00 0.00 58.87 55.59 3fki n SER 229 Cb 0.56 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3fki n SER 229 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fki s ARG 230 N -0.43 4.41 0.45 4.33 0.52 -1.23 -3.06 118.95 123.94 3fki s ARG 230 Ca 0.34 1.55 0.09 0.00 -0.52 0.00 0.00 55.73 57.20 3fki s ARG 230 Cb 0.10 -3.52 0.51 0.00 0.52 0.00 0.00 34.95 32.56 3fki s ARG 230 CO -0.16 -0.33 1.18 -1.35 0.02 0.00 0.00 175.30 174.65 3fki h PRO 231 N 7.18 0.00 0.00 3.54 0.11 -1.90 0.37 132.00 141.30 3fki h PRO 231 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3fki h PRO 231 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fki h PRO 231 CO 0.85 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.69 3fki h GLU 232 N 0.00 0.00 -0.01 1.05 4.11 -1.91 -3.06 114.58 114.75 3fki h GLU 232 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fki h GLU 232 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3fki h GLU 232 CO 0.00 0.00 -0.45 0.91 0.07 0.00 0.00 179.01 179.54 3fki n TRP 233 N -2.31 0.00 0.27 2.06 8.01 0.13 -3.64 117.44 121.96 3fki n TRP 233 Ca 0.02 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.37 3fki n TRP 233 Cb 0.25 -0.02 0.73 0.00 -2.01 0.00 0.00 31.31 30.25 3fki n TRP 233 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 3fki h MET 234 N 2.15 0.00 -5.47 -0.99 2.86 -1.68 -3.41 114.93 108.39 3fki h MET 234 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 3fki h MET 234 Cb 0.70 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.22 3fki h MET 234 CO 0.00 0.07 -0.56 0.42 1.06 0.00 0.00 176.91 177.90 3fki s ILE 235 N -3.83 4.83 -0.15 -1.22 1.01 -1.24 -3.06 121.20 117.54 3fki s ILE 235 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 3fki s ILE 235 Cb 0.11 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3fki s ILE 235 CO 0.55 0.51 0.41 -0.76 0.00 0.00 0.00 174.94 175.65 3fki s LEU 236 N -0.10 4.23 -0.20 2.97 1.43 -0.19 -4.94 118.68 121.89 3fki s LEU 236 Ca 0.07 0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 53.79 3fki s LEU 236 Cb -0.12 -2.56 -0.11 0.00 0.03 0.00 0.00 46.19 43.43 3fki s LEU 236 CO 0.01 0.00 -0.20 0.41 0.23 0.00 0.00 176.35 176.80 3fki n THR 237 N 3.84 1.10 -4.44 5.49 -1.04 -1.26 -1.78 114.28 116.19 3fki n THR 237 Ca -0.09 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.05 61.26 3fki n THR 237 Cb 0.51 -1.40 -0.17 0.00 -1.82 0.00 0.00 70.33 67.46 3fki n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fki s LEU 239 N 1.02 4.22 0.30 0.00 2.96 -0.87 -4.85 118.68 121.45 3fki s LEU 239 Ca -0.05 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.85 3fki s LEU 239 Cb -0.15 -2.13 -0.09 0.00 0.50 0.00 0.00 46.19 44.32 3fki s LEU 239 CO -0.03 0.17 1.02 -2.16 -1.32 0.00 0.00 176.35 174.03 3fki s PRO 240 N 0.35 4.60 -0.27 0.98 0.04 -1.26 -0.51 135.00 138.93 3fki s PRO 240 Ca 0.09 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 3fki s PRO 240 Cb -0.11 -3.01 -0.00 0.00 0.04 0.00 0.00 34.50 31.41 3fki s PRO 240 CO -0.01 0.24 0.05 0.08 0.04 0.00 0.00 177.00 177.40 3fki s VAL 241 N -1.35 3.90 0.18 -0.36 1.01 0.41 -4.91 120.40 119.28 3fki s VAL 241 Ca 0.47 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3fki s VAL 241 Cb -0.26 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 3fki s VAL 241 CO 0.33 0.20 1.42 -2.16 0.00 0.00 0.00 175.10 174.88 3fki s PRO 242 N 1.51 4.30 0.94 2.72 0.04 -1.26 -1.23 135.00 142.03 3fki s PRO 242 Ca 0.04 2.19 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 3fki s PRO 242 Cb -0.16 -3.18 0.16 0.00 0.04 0.00 0.00 34.50 31.36 3fki s PRO 242 CO 0.01 -0.42 1.09 -1.25 0.04 0.00 0.00 177.00 176.47 3fki s PRO 243 N 0.44 0.83 0.32 0.56 0.04 -1.26 -4.74 135.00 131.19 3fki s PRO 243 Ca 0.62 1.09 0.10 0.00 0.04 0.00 0.00 61.00 62.86 3fki s PRO 243 Cb -0.39 -1.74 0.95 0.00 0.04 0.00 0.00 34.50 33.36 3fki s PRO 243 CO 0.36 -2.61 1.65 -1.35 0.04 0.00 0.00 177.00 175.09 3fki h PRO 244 N -1.83 0.26 -0.36 0.56 0.11 -1.89 -0.55 132.00 128.29 3fki h PRO 244 Ca -0.49 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.71 3fki h PRO 244 Cb 1.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3fki h PRO 244 CO 0.49 0.17 0.30 -1.35 -0.21 0.00 0.00 178.00 177.41 3fki h PRO 245 N 0.27 0.00 0.02 1.05 0.11 -1.93 -1.44 132.00 130.08 3fki h PRO 245 Ca 0.67 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.67 3fki h PRO 245 Cb 1.47 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.59 3fki h PRO 245 CO -0.64 0.00 -0.42 0.28 -0.21 0.00 0.00 178.00 177.01 3fki h VAL 246 N 0.00 1.53 -3.23 3.15 2.07 -1.43 -3.40 116.25 114.94 3fki h VAL 246 Ca 0.17 -2.11 -0.63 0.00 0.82 0.00 0.00 66.70 64.95 3fki h VAL 246 Cb 0.77 2.84 -0.41 0.00 -1.52 0.00 0.00 31.29 32.97 3fki h VAL 246 CO -0.00 0.59 -0.60 0.00 0.02 0.00 0.00 177.57 177.58 3fki s ARG 247 N -2.97 2.22 0.54 1.57 1.70 -0.87 -5.08 118.95 116.07 3fki s ARG 247 Ca -0.15 -2.98 -0.19 0.00 -0.47 0.00 0.00 55.73 51.94 3fki s ARG 247 Cb 0.01 -3.36 -0.06 0.00 -0.57 0.00 0.00 34.95 30.97 3fki s ARG 247 CO 0.78 -1.20 1.10 -1.25 -1.08 0.00 0.00 175.30 173.64 3fki s PRO 248 N -0.87 3.42 -0.35 3.89 0.04 -0.60 -4.57 135.00 135.96 3fki s PRO 248 Ca 0.21 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 3fki s PRO 248 Cb -0.15 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3fki s PRO 248 CO -0.08 -0.77 0.33 0.45 0.04 0.00 0.00 177.00 176.97 3fki s SER 249 N -1.99 6.14 -0.03 6.66 0.15 -1.26 -3.30 113.70 120.07 3fki s SER 249 Ca 0.70 -0.37 -0.25 0.00 0.70 0.00 0.00 55.95 56.73 3fki s SER 249 Cb -0.21 -2.18 -0.19 0.00 -1.71 0.00 0.00 66.02 61.73 3fki s SER 249 CO 0.27 -0.34 1.20 0.40 1.20 0.00 0.00 173.24 175.97 3fki h ILE 250 N 5.55 1.24 -5.65 6.45 5.03 -1.58 -3.49 117.51 125.06 3fki h ILE 250 Ca -0.30 -1.10 -0.11 0.00 -0.12 0.00 0.00 64.86 63.23 3fki h ILE 250 Cb 1.14 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 36.89 3fki h ILE 250 CO 0.69 0.27 -0.52 -1.54 -0.68 0.00 0.00 178.15 176.37 3fki n SER 251 N -4.89 -7.24 -4.71 1.72 3.41 -1.21 -4.99 113.62 95.71 3fki n SER 251 Ca -0.09 0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 3fki n SER 251 Cb 0.26 -4.44 -0.04 0.00 -0.26 0.00 0.00 64.21 59.73 3fki n SER 251 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3fki s PHE 252 N -2.59 3.61 0.00 7.33 -0.71 -1.23 -4.81 117.98 119.57 3fki s PHE 252 Ca 0.17 1.53 0.00 0.00 -1.04 0.00 0.00 56.93 57.59 3fki s PHE 252 Cb -0.04 -3.03 0.00 0.00 -1.21 0.00 0.00 43.02 38.74 3fki s PHE 252 CO 0.79 -0.02 0.00 0.09 -1.34 0.00 0.00 175.22 174.74 3fki n ASN 253 N 4.06 0.00 0.00 1.98 3.02 -1.26 -4.30 115.26 118.76 3fki n ASN 253 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3fki n ASN 253 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3fki n ASN 253 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3fki n GLU 254 N 13.21 0.00 -0.00 3.52 4.07 -1.26 -4.86 120.64 135.31 3fki n GLU 254 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 3fki n GLU 254 Cb 0.00 -0.24 0.78 0.00 -0.06 0.00 0.00 31.44 31.91 3fki n GLU 254 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3fki n SER 255 N -2.00 0.53 -0.45 4.31 2.88 -1.26 -4.82 113.62 112.80 3fki n SER 255 Ca 0.00 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 3fki n SER 255 Cb 0.00 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3fki n SER 255 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fki n GLN 256 N -0.58 3.49 0.00 -1.46 1.13 -1.26 -5.15 117.38 113.55 3fki n GLN 256 Ca 0.22 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 3fki n GLN 256 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.54 3fki n GLN 256 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3fki n ARG 257 N 0.00 0.00 0.00 -1.09 5.12 -1.26 -5.03 116.66 114.40 3fki n ARG 257 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3fki n ARG 257 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3fki n ARG 257 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fki n GLY 258 N 0.00 0.86 3.43 -0.13 0.00 -1.26 -3.36 105.19 104.73 3fki n GLY 258 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3fki n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fki s GLU 259 N 0.00 1.66 0.58 1.61 0.41 -1.26 -1.54 118.70 120.16 3fki s GLU 259 Ca 0.00 -1.22 -0.12 0.00 -0.41 0.00 0.00 54.97 53.22 3fki s GLU 259 Cb 0.00 -2.02 -0.05 0.00 -1.78 0.00 0.00 34.13 30.28 3fki s GLU 259 CO 0.00 0.48 0.99 0.34 -0.49 0.00 0.00 175.26 176.58 3fki s ASP 260 N -1.92 6.32 0.29 -0.19 -1.08 -1.21 -4.97 116.67 113.91 3fki s ASP 260 Ca 0.15 1.40 0.04 0.00 -0.52 0.00 0.00 52.55 53.62 3fki s ASP 260 Cb -0.10 -2.46 0.73 0.00 -1.46 0.00 0.00 42.92 39.63 3fki s ASP 260 CO 0.07 -0.78 1.70 0.44 0.52 0.00 0.00 175.17 177.12 3fki h ASP 261 N 0.02 0.33 0.36 -0.34 3.45 -1.93 -1.62 116.42 116.69 3fki h ASP 261 Ca -0.45 0.15 -0.06 0.00 0.43 0.00 0.00 57.03 57.10 3fki h ASP 261 Cb 1.19 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 40.09 3fki h ASP 261 CO 0.62 -0.00 -0.30 -0.07 -1.57 0.00 0.00 179.24 177.92 3fki h LEU 262 N 0.40 0.00 -0.57 1.55 3.38 -1.93 -2.86 115.31 115.28 3fki h LEU 262 Ca 0.56 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.44 3fki h LEU 262 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3fki h LEU 262 CO -0.53 0.30 -0.00 0.74 0.09 0.00 0.00 178.44 179.04 3fki h THR 263 N 0.00 1.26 -0.38 0.22 2.02 -1.64 -2.07 112.91 112.33 3fki h THR 263 Ca -0.00 -1.13 -0.13 0.00 0.77 0.00 0.00 66.41 65.91 3fki h THR 263 Cb 0.56 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3fki h THR 263 CO 0.04 0.41 -0.29 -0.26 0.37 0.00 0.00 175.52 175.78 3fki h PHE 264 N 0.90 0.95 -0.58 3.16 -1.00 -1.55 -2.14 116.94 116.68 3fki h PHE 264 Ca 0.16 -0.25 -0.10 0.00 2.81 0.00 0.00 57.97 60.60 3fki h PHE 264 Cb 0.55 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 3fki h PHE 264 CO 0.04 1.01 -0.01 -0.22 -1.61 0.00 0.00 178.31 177.52 3fki h LYS 265 N 0.70 1.03 -0.34 1.51 1.63 -1.39 0.12 116.57 119.83 3fki h LYS 265 Ca 0.08 -0.33 -0.09 0.00 -0.85 0.00 0.00 60.65 59.46 3fki h LYS 265 Cb 0.84 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 3fki h LYS 265 CO 0.07 1.02 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.87 3fki h LEU 266 N 0.92 0.61 -1.03 5.20 3.38 -1.36 0.12 115.31 123.15 3fki h LEU 266 Ca 0.16 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3fki h LEU 266 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3fki h LEU 266 CO 0.03 0.78 -0.16 0.00 0.09 0.00 0.00 178.44 179.19 3fki h ALA 267 N 1.28 1.19 -0.06 1.53 0.00 -1.03 -0.55 119.26 121.62 3fki h ALA 267 Ca 0.09 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3fki h ALA 267 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fki h ALA 267 CO 0.04 0.52 -0.70 -0.44 0.00 0.00 0.00 179.25 178.67 3fki h ASP 268 N 0.47 0.35 0.17 0.00 3.32 -0.46 -0.67 116.42 119.59 3fki h ASP 268 Ca 0.08 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3fki h ASP 268 Cb 0.55 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3fki h ASP 268 CO 0.04 0.93 -0.08 0.40 -1.72 0.00 0.00 179.24 178.81 3fki h ILE 269 N 0.20 0.92 -0.71 0.35 2.04 -0.47 -1.95 117.51 117.89 3fki h ILE 269 Ca -0.02 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 3fki h ILE 269 Cb 1.25 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 3fki h ILE 269 CO 0.11 0.09 0.19 0.25 0.00 0.00 0.00 178.15 178.79 3fki h LEU 270 N -0.42 1.06 -1.06 1.44 5.85 -1.13 0.18 115.31 121.23 3fki h LEU 270 Ca -0.02 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3fki h LEU 270 Cb 0.33 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3fki h LEU 270 CO 0.04 1.00 0.63 0.50 -0.34 0.00 0.00 178.44 180.28 3fki h LYS 271 N 1.07 1.25 -0.02 1.25 3.64 -1.12 0.20 116.57 122.84 3fki h LYS 271 Ca 0.22 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 3fki h LYS 271 Cb 0.35 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3fki h LYS 271 CO -0.00 0.83 -0.78 0.00 -2.27 0.00 0.00 179.45 177.23 3fki h ALA 272 N 1.41 0.64 -0.05 5.00 0.00 -0.94 -3.22 119.26 122.09 3fki h ALA 272 Ca 0.35 -0.66 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 3fki h ALA 272 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3fki h ALA 272 CO -0.08 0.85 -0.70 -0.97 0.00 0.00 0.00 179.25 178.36 3fki h ASN 273 N 0.13 0.29 -0.36 0.00 -1.24 0.21 -3.06 115.58 111.55 3fki h ASN 273 Ca -0.03 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 56.76 3fki h ASN 273 Cb 1.36 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 3fki h ASN 273 CO 0.12 0.89 0.09 0.40 -1.29 0.00 0.00 177.43 177.64 3fki h ILE 274 N 0.17 1.22 -0.85 2.57 1.08 -0.71 -2.74 117.51 118.25 3fki h ILE 274 Ca -0.02 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 3fki h ILE 274 Cb 1.24 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.99 3fki h ILE 274 CO 0.11 0.25 0.50 0.77 -0.69 0.00 0.00 178.15 179.09 3fki h SER 275 N 0.42 1.04 0.45 1.72 4.64 -1.56 0.71 113.55 120.97 3fki h SER 275 Ca 0.11 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3fki h SER 275 Cb 0.29 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3fki h SER 275 CO 0.00 0.82 -0.50 0.25 -0.87 0.00 0.00 176.83 176.53 3fki h LEU 276 N 1.18 0.07 -0.09 5.97 5.85 -1.52 -0.91 115.31 125.86 3fki h LEU 276 Ca 0.30 -0.04 -0.24 0.00 0.84 0.00 0.00 57.88 58.75 3fki h LEU 276 Cb -0.01 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.01 3fki h LEU 276 CO -0.05 0.57 -0.90 -0.08 -0.34 0.00 0.00 178.44 177.64 3fki h GLU 277 N 0.05 0.75 -0.56 1.25 4.81 -1.14 -3.01 114.58 116.73 3fki h GLU 277 Ca -0.00 -0.69 -0.05 0.00 -0.13 0.00 0.00 59.36 58.48 3fki h GLU 277 Cb 0.91 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 3fki h GLU 277 CO 0.07 1.29 0.16 1.15 -0.73 0.00 0.00 179.01 180.94 3fki h THR 278 N 0.48 1.24 -0.53 0.32 2.02 -0.63 -3.14 112.91 112.67 3fki h THR 278 Ca -0.09 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.14 3fki h THR 278 Cb 1.54 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3fki h THR 278 CO 0.18 0.31 -0.12 -0.07 0.37 0.00 0.00 175.52 176.20 3fki h LEU 279 N 0.79 1.02 -0.25 2.58 3.38 -1.26 -3.02 115.31 118.55 3fki h LEU 279 Ca 0.18 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3fki h LEU 279 Cb 0.31 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3fki h LEU 279 CO -0.00 1.13 -0.01 -0.33 0.09 0.00 0.00 178.44 179.32 3fki h GLU 280 N 0.90 0.07 -0.18 1.13 5.08 -1.47 -2.27 114.58 117.83 3fki h GLU 280 Ca 0.14 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3fki h GLU 280 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3fki h GLU 280 CO 0.05 0.04 0.00 0.72 -1.00 0.00 0.00 179.01 178.82 3fki n HIS 281 N -5.16 0.23 -2.87 4.33 8.25 -1.24 -4.77 115.22 113.99 3fki n HIS 281 Ca -0.01 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3fki n HIS 281 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 3fki n HIS 281 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3fki n ASN 282 N 0.57 0.64 -4.57 0.41 4.13 -0.85 -5.00 115.26 110.57 3fki n ASN 282 Ca 0.17 -0.55 -0.28 0.00 1.68 0.00 0.00 54.58 55.59 3fki n ASN 282 Cb 0.39 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.58 3fki n ASN 282 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3fki s GLY 283 N -1.24 0.23 -0.19 7.41 0.00 -1.26 -4.94 107.32 107.33 3fki s GLY 283 Ca 0.00 -2.02 -0.25 0.00 0.00 0.00 0.00 44.72 42.45 3fki s GLY 283 CO 0.00 3.51 0.81 0.00 0.00 0.00 0.00 173.10 177.42 3fki s ALA 284 N 10.53 3.55 -0.40 3.20 0.00 -1.24 -5.00 121.76 132.40 3fki s ALA 284 Ca 0.68 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.33 3fki s ALA 284 Cb -0.02 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3fki s ALA 284 CO 0.09 -0.70 1.77 -2.14 0.00 0.00 0.00 175.76 174.79 3fki s PRO 285 N 2.27 3.21 0.00 0.00 0.02 -1.26 -4.89 135.00 134.34 3fki s PRO 285 Ca 0.37 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.59 3fki s PRO 285 Cb -0.16 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.14 3fki s PRO 285 CO 0.11 -2.01 0.00 0.72 -0.33 0.00 0.00 177.00 175.49 3fki n HIS 286 N 10.67 0.00 -1.53 6.54 8.25 -1.26 -0.42 115.22 137.47 3fki n HIS 286 Ca 0.22 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.75 3fki n HIS 286 Cb 0.48 -0.26 0.15 0.00 1.12 0.00 0.00 29.99 31.49 3fki n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3fki n HIS 287 N -2.65 0.00 0.88 4.41 8.25 -1.26 -4.47 115.22 120.37 3fki n HIS 287 Ca 0.00 -1.14 0.11 0.00 -0.26 0.00 0.00 57.72 56.44 3fki n HIS 287 Cb 0.00 -0.19 0.10 0.00 1.12 0.00 0.00 29.99 31.02 3fki n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fki n ALA 288 N -1.00 2.46 -0.02 -1.41 0.00 0.44 -4.40 120.51 116.57 3fki n ALA 288 Ca 0.15 -0.70 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 3fki n ALA 288 Cb 0.72 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 3fki n ALA 288 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3fki h ILE 289 N 4.38 1.37 0.00 0.00 2.04 -1.77 -3.20 117.51 120.33 3fki h ILE 289 Ca 0.00 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.00 3fki h ILE 289 Cb 0.93 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3fki h ILE 289 CO 0.00 0.56 0.00 -1.84 0.00 0.00 0.00 178.15 176.87 3fki n GLU 290 N -4.22 0.09 0.00 2.37 0.00 -1.26 -0.94 120.64 116.68 3fki n GLU 290 Ca -0.08 0.36 0.01 0.00 0.00 0.00 0.00 57.16 57.45 3fki n GLU 290 Cb 0.62 -1.69 0.07 0.00 0.00 0.00 0.00 31.44 30.43 3fki n GLU 290 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3fki n GLU 291 N -1.86 0.81 0.00 3.44 1.02 -1.21 -2.12 120.64 120.71 3fki n GLU 291 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3fki n GLU 291 Cb 0.18 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3fki n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fki n ALA 292 N -0.54 0.53 0.05 0.62 0.00 -0.12 -4.70 120.51 116.36 3fki n ALA 292 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 3fki n ALA 292 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 3fki n ALA 292 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fki h GLU 293 N 0.00 0.45 0.00 0.00 4.81 -1.22 -2.72 114.58 115.90 3fki h GLU 293 Ca 0.00 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3fki h GLU 293 Cb 0.00 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3fki h GLU 293 CO 0.00 1.08 -0.04 0.66 -0.73 0.00 0.00 179.01 179.97 3fki h SER 294 N 0.28 0.00 1.38 1.04 4.64 -1.73 0.24 113.55 119.40 3fki h SER 294 Ca -0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 3fki h SER 294 Cb 1.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 3fki h SER 294 CO 0.15 0.04 -0.58 0.25 -0.87 0.00 0.00 176.83 175.82 3fki h LEU 295 N 0.00 0.00 0.13 5.97 7.12 -1.78 -2.36 115.31 124.39 3fki h LEU 295 Ca -0.00 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 57.72 3fki h LEU 295 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 3fki h LEU 295 CO 0.01 0.58 -1.36 0.25 -0.13 0.00 0.00 178.44 177.79 3fki h LEU 296 N 0.00 0.44 0.00 2.25 5.85 -0.99 -2.74 115.31 120.13 3fki h LEU 296 Ca -0.01 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3fki h LEU 296 Cb 1.43 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3fki h LEU 296 CO 0.08 1.41 0.00 1.67 -0.34 0.00 0.00 178.44 181.26 3fki n GLN 297 N -3.51 0.61 -0.11 1.25 -0.06 0.77 -2.67 117.38 113.66 3fki n GLN 297 Ca -0.12 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.65 3fki n GLN 297 Cb 1.04 -1.40 -0.08 0.00 -4.06 0.00 0.00 30.24 25.74 3fki n GLN 297 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3fki n PHE 298 N -0.90 0.00 -0.07 3.69 7.35 -0.89 -4.05 117.46 122.59 3fki n PHE 298 Ca 0.12 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.68 3fki n PHE 298 Cb 0.05 -0.80 -0.06 0.00 0.35 0.00 0.00 39.48 39.02 3fki n PHE 298 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3fki h HIS 299 N -0.76 0.50 -0.06 -5.13 3.86 -1.49 0.15 115.15 112.22 3fki h HIS 299 Ca -0.56 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 58.46 3fki h HIS 299 Cb 1.51 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.86 3fki h HIS 299 CO -0.07 0.75 -0.19 0.28 0.86 0.00 0.00 177.93 179.56 3fki h VAL 300 N 0.11 1.17 -0.12 2.45 2.07 -1.79 0.85 116.25 120.99 3fki h VAL 300 Ca 0.04 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 3fki h VAL 300 Cb 0.63 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3fki h VAL 300 CO 0.03 0.23 -0.23 0.00 0.02 0.00 0.00 177.57 177.63 3fki h ALA 301 N 1.72 0.19 0.00 1.67 0.00 -1.64 -3.25 119.26 117.95 3fki h ALA 301 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3fki h ALA 301 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fki h ALA 301 CO 0.03 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.39 3fki h THR 302 N -0.05 0.07 -0.10 0.00 1.03 -0.49 -1.77 112.91 111.60 3fki h THR 302 Ca 0.01 -0.97 -0.08 0.00 -0.01 0.00 0.00 66.41 65.36 3fki h THR 302 Cb 0.81 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.79 3fki h THR 302 CO 0.05 0.04 -0.30 0.22 -0.01 0.00 0.00 175.52 175.52 3fki h TYR 303 N 0.00 0.20 0.01 0.00 3.20 -0.89 -3.27 116.97 116.23 3fki h TYR 303 Ca -0.00 -0.04 -0.37 0.00 3.14 0.00 0.00 58.73 61.46 3fki h TYR 303 Cb 0.91 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 3fki h TYR 303 CO 0.00 0.47 -2.32 -1.33 -1.64 0.00 0.00 178.16 173.34 3fki n MET 304 N -4.13 0.68 -3.70 1.82 2.81 -1.19 -3.22 117.12 110.19 3fki n MET 304 Ca -0.01 0.11 -0.11 0.00 -1.81 0.00 0.00 57.70 55.88 3fki n MET 304 Cb 0.38 -1.57 -0.11 0.00 -0.71 0.00 0.00 33.22 31.22 3fki n MET 304 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3fki s ASP 305 N -6.09 -0.49 -0.16 7.83 2.15 -0.67 -2.07 116.67 117.17 3fki s ASP 305 Ca -0.20 0.86 0.16 0.00 0.43 0.00 0.00 52.55 53.80 3fki s ASP 305 Cb 0.07 0.75 0.33 0.00 -0.30 0.00 0.00 42.92 43.78 3fki s ASP 305 CO 0.74 -0.18 1.17 -3.20 -0.17 0.00 0.00 175.17 173.52 3fki n ASN 306 N 4.09 2.14 -3.41 -0.34 5.15 -1.26 -3.67 115.26 117.97 3fki n ASN 306 Ca -0.22 -3.36 -0.26 0.00 -0.60 0.00 0.00 54.58 50.14 3fki n ASN 306 Cb 0.55 -0.46 -0.09 0.00 -0.53 0.00 0.00 39.78 39.25 3fki n ASN 306 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3fki n ASP 307 N -1.33 0.78 -4.51 1.20 8.00 -1.26 -4.83 116.55 114.60 3fki n ASP 307 Ca 0.17 -2.73 -0.24 0.00 0.71 0.00 0.00 54.79 52.70 3fki n ASP 307 Cb 0.66 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 3fki n ASP 307 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fki s ILE 308 N -0.88 1.82 -1.13 0.53 1.09 -1.26 -5.03 121.20 116.33 3fki s ILE 308 Ca 0.33 -2.10 0.18 0.00 -1.10 0.00 0.00 60.65 57.96 3fki s ILE 308 Cb 0.08 -2.68 0.19 0.00 -1.06 0.00 0.00 42.46 39.00 3fki s ILE 308 CO -0.14 -0.16 1.55 0.00 -0.10 0.00 0.00 174.94 176.09 3fki n ALA 309 N -0.74 1.85 -0.07 9.38 0.00 -1.26 -3.12 120.51 126.54 3fki n ALA 309 Ca -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 3fki n ALA 309 Cb 0.65 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.81 3fki n ALA 309 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3fki h GLY 310 N 2.99 0.34 0.00 0.00 0.00 -1.96 -3.48 103.07 100.96 3fki h GLY 310 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3fki h GLY 310 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.36 3fki n GLN 311 N -5.06 0.00 -1.69 4.80 7.27 -1.18 -5.08 117.38 116.44 3fki n GLN 311 Ca -0.01 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.63 3fki n GLN 311 Cb 0.11 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.73 3fki n GLN 311 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3fki n PRO 312 N 0.00 2.68 0.00 3.69 -0.04 -1.26 -4.84 135.00 135.24 3fki n PRO 312 Ca 0.00 0.98 0.05 0.00 -0.04 0.00 0.00 63.50 64.49 3fki n PRO 312 Cb 0.00 -2.86 0.31 0.00 -0.04 0.00 0.00 33.50 30.91 3fki n PRO 312 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3fki n GLN 313 N 5.66 0.84 -4.07 0.54 1.13 -1.26 -4.90 117.38 115.32 3fki n GLN 313 Ca 0.18 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.86 3fki n GLN 313 Cb 0.36 -1.20 -0.01 0.00 0.11 0.00 0.00 30.24 29.50 3fki n GLN 313 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fki n ALA 314 N -0.70 -2.40 -1.78 -1.58 0.00 -1.26 -4.55 120.51 108.26 3fki n ALA 314 Ca 0.08 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 3fki n ALA 314 Cb 0.04 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 3fki n ALA 314 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3fki s LEU 315 N -7.27 4.46 0.46 0.00 2.34 -1.26 -4.69 118.68 112.72 3fki s LEU 315 Ca 0.32 2.57 -0.22 0.00 0.06 0.00 0.00 54.13 56.86 3fki s LEU 315 Cb -0.16 -3.64 -0.08 0.00 -0.56 0.00 0.00 46.19 41.74 3fki s LEU 315 CO 0.96 -0.43 1.09 -1.58 -1.06 0.00 0.00 176.35 175.32 3fki s GLN 316 N -1.63 3.85 -1.13 1.48 0.74 -0.71 -4.89 119.66 117.37 3fki s GLN 316 Ca 0.48 1.54 -0.25 0.00 0.05 0.00 0.00 55.36 57.18 3fki s GLN 316 Cb -0.38 -2.30 -0.18 0.00 1.10 0.00 0.00 33.01 31.25 3fki s GLN 316 CO 0.49 -0.42 2.04 1.63 -0.55 0.00 0.00 175.29 178.48 3fki n LYS 317 N -0.60 0.73 0.00 1.67 5.02 -1.26 -2.71 118.16 121.00 3fki n LYS 317 Ca 0.08 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 3fki n LYS 317 Cb 0.50 -3.85 0.00 0.00 -0.02 0.00 0.00 35.03 31.66 3fki n LYS 317 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3fki n SER 318 N 17.63 0.00 0.00 4.39 3.41 -1.26 -4.98 113.62 132.82 3fki n SER 318 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3fki n SER 318 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3fki n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fki n GLY 319 N 0.00 3.05 3.75 5.00 0.00 -1.10 -5.07 105.19 110.82 3fki n GLY 319 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3fki n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fki s ARG 320 N -0.65 4.24 0.00 1.61 3.52 -1.26 -4.93 118.95 121.49 3fki s ARG 320 Ca 0.00 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 3fki s ARG 320 Cb 0.00 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3fki s ARG 320 CO 0.00 -0.42 0.00 -2.30 -0.81 0.00 0.00 175.30 171.77 3fki n PRO 321 N 1.80 0.00 -3.64 5.12 -0.02 -1.26 -1.75 135.00 135.25 3fki n PRO 321 Ca 0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 3fki n PRO 321 Cb 0.40 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.81 3fki n PRO 321 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fki s VAL 322 N 0.00 0.00 -1.26 -1.45 1.01 -1.26 -2.21 120.40 115.23 3fki s VAL 322 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 3fki s VAL 322 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.51 3fki s VAL 322 CO 0.00 0.00 1.61 0.29 0.00 0.00 0.00 175.10 177.00 3fki n LYS 323 N 2.21 3.31 -1.45 2.72 5.02 -1.26 -4.95 118.16 123.75 3fki n LYS 323 Ca -0.13 -3.58 -0.31 0.00 -2.02 0.00 0.00 58.31 52.27 3fki n LYS 323 Cb 0.56 -3.19 0.07 0.00 -0.02 0.00 0.00 35.03 32.45 3fki n LYS 323 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fki s SER 324 N 3.12 4.86 0.38 4.39 1.04 -1.26 -4.69 113.70 121.55 3fki s SER 324 Ca 0.46 1.81 0.05 0.00 0.48 0.00 0.00 55.95 58.76 3fki s SER 324 Cb 0.01 -2.52 0.76 0.00 0.10 0.00 0.00 66.02 64.38 3fki s SER 324 CO 0.02 -1.80 2.02 0.40 0.98 0.00 0.00 173.24 174.87 3fki h ILE 325 N -0.76 1.10 -0.65 -1.02 2.04 -1.63 -1.37 117.51 115.22 3fki h ILE 325 Ca -0.44 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3fki h ILE 325 Cb 1.23 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3fki h ILE 325 CO 0.53 0.13 0.32 -0.09 0.00 0.00 0.00 178.15 179.04 3fki h ARG 326 N 0.70 0.94 0.00 2.37 2.43 -1.73 -2.67 114.38 116.42 3fki h ARG 326 Ca 0.21 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3fki h ARG 326 Cb 0.00 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3fki h ARG 326 CO -0.05 0.74 -0.14 0.00 -1.51 0.00 0.00 179.97 179.01 3fki h ALA 327 N 1.15 1.46 0.00 2.80 0.00 -1.55 -1.23 119.26 121.88 3fki h ALA 327 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fki h ALA 327 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3fki h ALA 327 CO -0.03 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.93 3fki n ARG 328 N -3.91 0.13 0.00 0.00 1.74 -1.01 -3.48 116.66 110.12 3fki n ARG 328 Ca -0.02 0.27 0.02 0.00 -0.77 0.00 0.00 57.85 57.35 3fki n ARG 328 Cb 0.23 -1.71 0.01 0.00 -1.02 0.00 0.00 32.46 29.97 3fki n ARG 328 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fki n LEU 329 N -1.94 0.98 -4.77 0.55 4.77 -0.51 -3.03 117.00 113.06 3fki n LEU 329 Ca 0.04 -0.87 -0.34 0.00 -0.03 0.00 0.00 56.01 54.81 3fki n LEU 329 Cb 0.27 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 3fki n LEU 329 CO 0.21 0.22 0.76 -0.75 -1.33 0.00 0.00 177.39 176.51 3fki s LYS 330 N -0.54 2.91 0.41 3.23 2.47 -0.94 -4.58 119.74 122.70 3fki s LYS 330 Ca 0.03 1.51 -0.24 0.00 -1.56 0.00 0.00 55.97 55.71 3fki s LYS 330 Cb 0.03 -1.95 -0.11 0.00 -1.46 0.00 0.00 37.83 34.33 3fki s LYS 330 CO 0.06 -1.18 0.86 0.41 0.16 0.00 0.00 175.35 175.66 3fki n GLY 331 N -0.19 -0.62 1.35 5.54 0.00 -1.26 -3.43 105.19 106.58 3fki n GLY 331 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3fki n GLY 331 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fki n LYS 332 N 0.30 -3.68 -3.67 1.61 4.01 -1.26 -4.67 118.16 110.81 3fki n LYS 332 Ca 0.10 2.67 -0.29 0.00 -0.51 0.00 0.00 58.31 60.29 3fki n LYS 332 Cb 0.38 -2.90 -0.06 0.00 -0.51 0.00 0.00 35.03 31.95 3fki n LYS 332 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 3fki n GLU 333 N 0.43 -0.83 -3.28 1.97 0.00 -1.26 -4.77 120.64 112.90 3fki n GLU 333 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 57.16 57.00 3fki n GLU 333 Cb 0.00 -3.16 -0.07 0.00 0.00 0.00 0.00 31.44 28.20 3fki n GLU 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fki n GLY 334 N -1.12 3.53 5.00 -1.84 0.00 -1.22 -4.83 105.19 104.71 3fki n GLY 334 Ca 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3fki n GLY 334 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fki n ARG 335 N 1.24 0.00 0.16 1.61 3.00 -1.17 -3.88 116.66 117.63 3fki n ARG 335 Ca 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 58.02 3fki n ARG 335 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.91 3fki n ARG 335 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3fki h ILE 336 N 0.00 0.00 0.06 5.15 1.08 -1.84 -1.55 117.51 120.41 3fki h ILE 336 Ca 0.00 -0.54 -0.25 0.00 -0.39 0.00 0.00 64.86 63.68 3fki h ILE 336 Cb 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 3fki h ILE 336 CO 0.00 0.00 -1.18 0.03 -0.69 0.00 0.00 178.15 176.31 3fki h ARG 337 N -1.02 0.12 -0.02 2.37 3.08 -1.87 -1.26 114.38 115.78 3fki h ARG 337 Ca -0.05 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3fki h ARG 337 Cb 0.36 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3fki h ARG 337 CO 0.08 1.05 -0.21 0.41 -1.07 0.00 0.00 179.97 180.23 3fki n GLY 338 N 1.46 0.09 0.00 0.04 0.00 -1.26 -3.43 105.19 102.09 3fki n GLY 338 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3fki n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fki n ASN 339 N 0.29 0.20 0.00 1.61 4.13 -1.10 -4.64 115.26 115.75 3fki n ASN 339 Ca 0.08 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.22 3fki n ASN 339 Cb 0.38 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.91 3fki n ASN 339 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3fki n LEU 340 N -0.31 0.07 0.16 3.41 4.77 -0.60 -4.73 117.00 119.77 3fki n LEU 340 Ca 0.00 0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 3fki n LEU 340 Cb 0.00 -0.02 0.17 0.00 -2.33 0.00 0.00 43.42 41.24 3fki n LEU 340 CO 0.00 -0.10 0.56 0.24 -1.33 0.00 0.00 177.39 176.76 3fki h MET 341 N 0.00 0.00 -3.11 3.23 2.86 -1.42 -3.43 114.93 113.05 3fki h MET 341 Ca 0.00 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.33 3fki h MET 341 Cb 0.85 0.00 -0.37 0.00 0.06 0.00 0.00 31.60 32.14 3fki h MET 341 CO 0.00 0.46 -0.66 0.20 1.06 0.00 0.00 176.91 177.97 3fki s GLY 342 N -4.42 0.09 0.20 8.32 0.00 -1.22 -5.05 107.32 105.24 3fki s GLY 342 Ca 0.02 0.45 0.11 0.00 0.00 0.00 0.00 44.72 45.30 3fki s GLY 342 CO 0.72 1.64 -0.21 0.54 0.00 0.00 0.00 173.10 175.78 3fki s LYS 343 N 2.27 1.63 -0.17 2.90 1.02 -1.26 -3.17 119.74 122.95 3fki s LYS 343 Ca 0.04 -1.51 -0.26 0.00 0.02 0.00 0.00 55.97 54.26 3fki s LYS 343 Cb -0.12 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 3fki s LYS 343 CO -0.05 0.40 0.86 1.03 -0.92 0.00 0.00 175.35 176.66 3fki s ARG 344 N -2.79 4.30 0.27 1.68 0.52 -1.26 -5.05 118.95 116.62 3fki s ARG 344 Ca 0.22 1.06 0.10 0.00 -0.52 0.00 0.00 55.73 56.59 3fki s ARG 344 Cb -0.08 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3fki s ARG 344 CO 0.11 -0.36 -0.01 0.14 0.02 0.00 0.00 175.30 175.21 3fki s VAL 345 N 2.25 3.41 0.61 3.52 -7.23 -1.26 -5.14 120.40 116.56 3fki s VAL 345 Ca 0.39 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3fki s VAL 345 Cb -0.16 -2.83 0.05 0.00 0.56 0.00 0.00 36.38 34.00 3fki s VAL 345 CO 0.12 -0.37 0.85 -1.81 -0.31 0.00 0.00 175.10 173.58 3fki s ASP 346 N -3.67 5.04 -1.06 4.85 1.01 -1.26 -4.67 116.67 116.91 3fki s ASP 346 Ca 0.31 0.02 -0.09 0.00 0.71 0.00 0.00 52.55 53.50 3fki s ASP 346 Cb -0.06 -0.77 -0.06 0.00 1.01 0.00 0.00 42.92 43.04 3fki s ASP 346 CO 0.20 -1.35 0.89 0.49 0.21 0.00 0.00 175.17 175.61 3fki n PHE 347 N -2.53 -2.38 -3.91 4.23 3.01 -1.26 -4.81 117.46 109.81 3fki n PHE 347 Ca 0.09 0.79 -0.09 0.00 1.01 0.00 0.00 57.45 59.26 3fki n PHE 347 Cb 0.60 -3.99 -0.08 0.00 -0.01 0.00 0.00 39.48 36.00 3fki n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3fki s SER 348 N -3.39 0.15 -0.15 4.37 1.04 -1.26 -1.92 113.70 112.55 3fki s SER 348 Ca 0.45 -0.74 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 3fki s SER 348 Cb -0.08 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.42 3fki s SER 348 CO 0.76 -0.74 0.39 0.00 0.98 0.00 0.00 173.24 174.63 3fki s ALA 349 N -3.89 -0.95 -0.11 5.32 0.00 -1.05 -4.97 121.76 116.11 3fki s ALA 349 Ca 0.08 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3fki s ALA 349 Cb 0.05 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.54 3fki s ALA 349 CO -0.09 -0.19 -0.13 0.50 0.00 0.00 0.00 175.76 175.86 3fki s ARG 350 N 0.28 1.98 0.27 0.00 3.52 -1.26 -1.08 118.95 122.66 3fki s ARG 350 Ca -0.01 -0.46 -0.20 0.00 -0.13 0.00 0.00 55.73 54.93 3fki s ARG 350 Cb -0.03 -1.77 0.02 0.00 -1.56 0.00 0.00 34.95 31.61 3fki s ARG 350 CO -0.00 -0.13 0.68 -0.08 -0.81 0.00 0.00 175.30 174.96 3fki s THR 351 N 1.20 0.00 0.39 4.11 -1.32 -1.11 -4.97 115.64 113.93 3fki s THR 351 Ca -0.03 -1.01 -0.26 0.00 -1.21 0.00 0.00 61.69 59.18 3fki s THR 351 Cb -0.14 -1.98 -0.09 0.00 -1.51 0.00 0.00 72.50 68.78 3fki s THR 351 CO -0.04 -0.00 1.18 -0.69 -2.21 0.00 0.00 174.62 172.86 3fki s VAL 352 N -3.93 3.12 0.09 5.08 1.01 -1.26 -2.02 120.40 122.50 3fki s VAL 352 Ca 0.12 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 3fki s VAL 352 Cb -0.05 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3fki s VAL 352 CO 0.06 0.11 0.31 0.27 0.00 0.00 0.00 175.10 175.86 3fki s ILE 353 N -1.37 5.25 0.02 2.22 -4.36 -0.80 -0.90 121.20 121.26 3fki s ILE 353 Ca 0.55 -0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.93 3fki s ILE 353 Cb -0.32 -3.61 -0.01 0.00 1.25 0.00 0.00 42.46 39.77 3fki s ILE 353 CO 0.40 0.15 -0.02 -0.94 0.24 0.00 0.00 174.94 174.77 3fki s SER 354 N -2.25 0.21 0.10 4.36 1.04 0.46 -4.81 113.70 112.81 3fki s SER 354 Ca 0.36 -0.36 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 3fki s SER 354 Cb -0.13 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.00 3fki s SER 354 CO 0.23 -0.21 0.92 -0.83 0.98 0.00 0.00 173.24 174.33 3fki s GLY 355 N -1.05 2.96 -0.20 7.32 0.00 -1.26 -3.02 107.32 112.07 3fki s GLY 355 Ca -0.11 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 3fki s GLY 355 CO -0.01 1.38 -0.03 -0.35 0.00 0.00 0.00 173.10 174.09 3fki s ASP 356 N -0.02 3.22 0.00 1.64 2.15 -0.91 -4.93 116.67 117.82 3fki s ASP 356 Ca 0.45 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.55 3fki s ASP 356 Cb -0.23 -0.94 0.00 0.00 -0.30 0.00 0.00 42.92 41.46 3fki s ASP 356 CO 0.28 -0.23 0.82 -0.81 -0.17 0.00 0.00 175.17 175.07 3fki n PRO 357 N 4.84 0.85 -0.02 4.34 -0.04 -1.26 -3.66 135.00 140.06 3fki n PRO 357 Ca -0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 3fki n PRO 357 Cb 0.46 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 3fki n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fki n ASN 358 N -0.46 3.90 -4.77 3.54 3.02 -1.26 -4.58 115.26 114.65 3fki n ASN 358 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 3fki n ASN 358 Cb 0.01 0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 39.89 3fki n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fki s LEU 359 N -4.17 4.11 0.81 3.41 1.43 -1.24 -5.01 118.68 118.03 3fki s LEU 359 Ca -0.02 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 55.38 3fki s LEU 359 Cb 0.02 -4.09 0.08 0.00 0.03 0.00 0.00 46.19 42.23 3fki s LEU 359 CO 0.19 -0.85 1.15 -1.61 0.23 0.00 0.00 176.35 175.45 3fki s GLU 360 N -2.46 1.77 0.28 1.70 0.41 -1.26 -4.62 118.70 114.52 3fki s GLU 360 Ca 0.60 1.52 0.01 0.00 -0.41 0.00 0.00 54.97 56.69 3fki s GLU 360 Cb -0.32 -1.81 0.63 0.00 -1.78 0.00 0.00 34.13 30.85 3fki s GLU 360 CO 0.40 -2.07 1.70 1.25 -0.49 0.00 0.00 175.26 176.05 3fki h LEU 361 N -1.08 0.28 -0.13 1.80 5.85 -1.95 -0.80 115.31 119.27 3fki h LEU 361 Ca -0.45 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 3fki h LEU 361 Cb 1.27 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 3fki h LEU 361 CO 0.47 0.02 -0.44 -2.24 -0.34 0.00 0.00 178.44 175.91 3fki h ASP 362 N 0.40 0.00 -4.12 1.25 3.04 -1.91 -3.43 116.42 111.65 3fki h ASP 362 Ca 0.51 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.78 3fki h ASP 362 Cb 0.91 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 39.31 3fki h ASP 362 CO -0.50 0.44 0.43 -1.10 -2.04 0.00 0.00 179.24 176.47 3fki s GLN 363 N -3.06 2.95 -0.02 4.15 -0.21 -0.31 -2.10 119.66 121.06 3fki s GLN 363 Ca 0.04 1.66 0.03 0.00 0.02 0.00 0.00 55.36 57.11 3fki s GLN 363 Cb 0.08 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 32.14 3fki s GLN 363 CO 0.73 -1.18 -0.09 0.54 -2.12 0.00 0.00 175.29 173.16 3fki s VAL 364 N -1.85 0.80 -0.94 1.09 0.11 0.12 -4.37 120.40 115.37 3fki s VAL 364 Ca 0.73 -0.38 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 3fki s VAL 364 Cb -0.26 -0.71 0.17 0.00 -1.53 0.00 0.00 36.38 34.06 3fki s VAL 364 CO 0.34 0.25 1.04 -0.83 -3.33 0.00 0.00 175.10 172.57 3fki s GLY 365 N 0.14 2.31 -0.09 6.54 0.00 0.43 -2.14 107.32 114.51 3fki s GLY 365 Ca -0.02 -3.09 -0.28 0.00 0.00 0.00 0.00 44.72 41.34 3fki s GLY 365 CO 0.00 1.72 0.90 0.14 0.00 0.00 0.00 173.10 175.87 3fki s VAL 366 N 1.47 4.88 0.71 1.40 1.01 -1.23 -1.90 120.40 126.74 3fki s VAL 366 Ca 0.29 1.84 -0.16 0.00 0.00 0.00 0.00 61.98 63.95 3fki s VAL 366 Cb -0.07 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.12 3fki s VAL 366 CO -0.08 0.09 1.23 -2.84 0.00 0.00 0.00 175.10 173.50 3fki s PRO 367 N 1.57 2.20 0.20 2.72 0.02 -1.26 -0.60 135.00 139.85 3fki s PRO 367 Ca 0.45 1.85 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 3fki s PRO 367 Cb -0.18 -1.83 0.13 0.00 0.02 0.00 0.00 34.50 32.64 3fki s PRO 367 CO 0.19 -1.81 1.80 -0.22 -0.33 0.00 0.00 177.00 176.63 3fki h LYS 368 N -0.11 1.03 -0.81 5.54 3.64 -1.69 -2.24 116.57 121.92 3fki h LYS 368 Ca -0.48 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 58.74 3fki h LYS 368 Cb 1.31 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 3fki h LYS 368 CO 0.50 0.79 0.44 1.03 -2.27 0.00 0.00 179.45 179.94 3fki h SER 369 N 1.01 1.02 -0.40 4.20 0.87 -1.92 -1.45 113.55 116.87 3fki h SER 369 Ca 0.25 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 3fki h SER 369 Cb 0.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3fki h SER 369 CO -0.04 0.83 -0.22 0.40 -0.53 0.00 0.00 176.83 177.28 3fki h ILE 370 N 1.13 1.28 0.00 2.23 2.04 -1.90 -2.78 117.51 119.51 3fki h ILE 370 Ca 0.28 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 3fki h ILE 370 Cb 0.04 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3fki h ILE 370 CO -0.04 0.46 -0.15 0.00 0.00 0.00 0.00 178.15 178.41 3fki h ALA 371 N 0.81 1.32 -0.07 1.87 0.00 -1.17 0.60 119.26 122.62 3fki h ALA 371 Ca 0.09 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3fki h ALA 371 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3fki h ALA 371 CO 0.06 0.18 -0.66 0.87 0.00 0.00 0.00 179.25 179.71 3fki h LYS 372 N 0.00 0.27 0.08 0.00 1.57 -1.01 -3.15 116.57 114.34 3fki h LYS 372 Ca -0.00 -0.20 -0.31 0.00 -1.87 0.00 0.00 60.65 58.26 3fki h LYS 372 Cb 0.37 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3fki h LYS 372 CO 0.02 0.83 -1.70 1.15 -0.57 0.00 0.00 179.45 179.18 3fki h THR 373 N 0.19 0.76 -3.87 -0.16 2.02 -1.18 -3.47 112.91 107.19 3fki h THR 373 Ca -0.01 -2.29 -0.52 0.00 0.77 0.00 0.00 66.41 64.35 3fki h THR 373 Cb 1.19 2.43 0.06 0.00 -1.74 0.00 0.00 68.15 70.08 3fki h THR 373 CO 0.10 0.68 0.61 -0.76 0.37 0.00 0.00 175.52 176.52 3fki s LEU 374 N -7.37 4.43 -0.01 2.58 1.43 0.15 -5.02 118.68 114.86 3fki s LEU 374 Ca -0.24 2.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.50 3fki s LEU 374 Cb 0.06 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 3fki s LEU 374 CO 0.71 -0.49 -0.10 -0.89 0.23 0.00 0.00 176.35 175.82 3fki s THR 375 N -1.16 0.77 -0.10 5.49 2.01 -1.26 -3.62 115.64 117.77 3fki s THR 375 Ca 0.49 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.12 3fki s THR 375 Cb -0.38 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 3fki s THR 375 CO 0.50 0.22 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.98 3fki s TYR 376 N -0.15 2.62 -0.52 4.92 5.04 -0.02 -4.93 117.35 124.31 3fki s TYR 376 Ca 0.03 -0.81 -0.25 0.00 -2.44 0.00 0.00 57.07 53.60 3fki s TYR 376 Cb -0.05 -1.72 0.04 0.00 0.35 0.00 0.00 41.96 40.58 3fki s TYR 376 CO -0.00 -0.28 0.95 -1.25 -1.34 0.00 0.00 175.55 173.63 3fki s PRO 377 N 0.17 3.41 0.10 4.97 0.05 -1.26 -0.27 135.00 142.17 3fki s PRO 377 Ca -0.12 -0.09 0.02 0.00 0.05 0.00 0.00 61.00 60.86 3fki s PRO 377 Cb -0.16 -4.01 -0.04 0.00 0.05 0.00 0.00 34.50 30.34 3fki s PRO 377 CO 0.06 -1.41 0.20 -2.00 0.05 0.00 0.00 177.00 173.90 3fki s GLU 378 N 3.95 3.29 -0.11 4.56 2.12 -0.28 -4.85 118.70 127.39 3fki s GLU 378 Ca 0.33 -0.58 -0.09 0.00 0.36 0.00 0.00 54.97 55.00 3fki s GLU 378 Cb -0.11 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 3fki s GLU 378 CO 0.22 0.56 0.19 0.08 -0.54 0.00 0.00 175.26 175.77 3fki s VAL 379 N -1.59 5.41 -0.26 3.70 1.01 -1.26 -0.02 120.40 127.39 3fki s VAL 379 Ca 0.33 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 3fki s VAL 379 Cb -0.12 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3fki s VAL 379 CO 0.27 0.59 1.69 -0.69 0.00 0.00 0.00 175.10 176.95 3fki s VAL 380 N -0.85 3.60 0.01 2.92 1.01 0.83 -4.91 120.40 123.02 3fki s VAL 380 Ca 0.16 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.83 3fki s VAL 380 Cb -0.13 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3fki s VAL 380 CO 0.05 -0.34 -0.11 -0.89 0.00 0.00 0.00 175.10 173.81 3fki s THR 381 N 5.81 0.86 -1.50 3.92 2.01 -1.26 -2.54 115.64 122.94 3fki s THR 381 Ca 0.75 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3fki s THR 381 Cb -0.24 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3fki s THR 381 CO 0.31 0.11 0.36 -0.81 -0.69 0.00 0.00 174.62 173.90 3fki n PRO 382 N 2.45 0.00 0.02 4.92 -0.04 -1.26 0.20 135.00 141.28 3fki n PRO 382 Ca -0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.41 3fki n PRO 382 Cb 0.56 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 3fki n PRO 382 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fki n TYR 383 N -0.85 0.24 -2.12 0.54 0.53 -1.26 -4.68 117.16 109.57 3fki n TYR 383 Ca 0.00 0.07 0.01 0.00 -1.02 0.00 0.00 57.90 56.96 3fki n TYR 383 Cb 0.00 -0.62 0.00 0.00 -1.03 0.00 0.00 39.34 37.69 3fki n TYR 383 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3fki n ASN 384 N -2.37 0.22 -0.02 7.72 0.23 0.13 -4.86 115.26 116.31 3fki n ASN 384 Ca -0.03 -1.95 -0.11 0.00 -0.53 0.00 0.00 54.58 51.96 3fki n ASN 384 Cb 0.57 -0.20 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 3fki n ASN 384 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3fki h ILE 385 N 6.86 1.05 -0.85 1.53 2.04 -1.61 0.13 117.51 126.66 3fki h ILE 385 Ca -0.06 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3fki h ILE 385 Cb 1.50 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3fki h ILE 385 CO 0.02 0.05 0.57 0.44 0.00 0.00 0.00 178.15 179.22 3fki h ASP 386 N 0.17 0.97 0.59 1.72 5.19 -1.89 0.17 116.42 123.35 3fki h ASP 386 Ca 0.05 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 3fki h ASP 386 Cb 0.00 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.26 3fki h ASP 386 CO -0.01 0.70 -0.44 -0.09 -3.12 0.00 0.00 179.24 176.28 3fki h ARG 387 N 1.15 0.00 0.07 3.56 2.43 -1.77 -3.18 114.38 116.64 3fki h ARG 387 Ca 0.32 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.15 3fki h ARG 387 Cb -0.11 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3fki h ARG 387 CO -0.07 0.44 -1.85 1.28 -1.51 0.00 0.00 179.97 178.26 3fki n LEU 388 N -3.80 2.39 -0.26 3.80 4.77 0.41 -3.58 117.00 120.73 3fki n LEU 388 Ca -0.01 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 3fki n LEU 388 Cb 0.50 -1.04 0.08 0.00 -2.33 0.00 0.00 43.42 40.63 3fki n LEU 388 CO 0.39 0.67 1.16 0.74 -1.33 0.00 0.00 177.39 179.01 3fki h THR 389 N -0.33 1.12 -0.52 -5.08 2.02 -0.78 0.11 112.91 109.44 3fki h THR 389 Ca -0.43 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 3fki h THR 389 Cb 1.77 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3fki h THR 389 CO -0.05 0.17 0.00 -0.61 0.37 0.00 0.00 175.52 175.40 3fki h GLN 390 N 0.91 0.87 -0.50 6.66 5.75 -1.75 -2.18 115.11 124.86 3fki h GLN 390 Ca 0.28 -0.24 -0.13 0.00 -0.15 0.00 0.00 58.65 58.41 3fki h GLN 390 Cb -0.01 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3fki h GLN 390 CO -0.10 0.87 -0.19 1.25 -2.65 0.00 0.00 178.83 178.01 3fki h LEU 391 N 0.81 1.04 -0.45 -2.39 5.85 -1.36 -1.98 115.31 116.83 3fki h LEU 391 Ca 0.15 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 3fki h LEU 391 Cb 0.48 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3fki h LEU 391 CO 0.02 1.19 0.10 0.58 -0.34 0.00 0.00 178.44 179.99 3fki h VAL 392 N 0.88 1.24 -0.35 1.05 2.07 -0.74 -2.94 116.25 117.47 3fki h VAL 392 Ca 0.12 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3fki h VAL 392 Cb 0.77 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3fki h VAL 392 CO 0.06 0.29 0.10 0.03 0.02 0.00 0.00 177.57 178.08 3fki h ARG 393 N 0.59 0.50 0.00 1.57 3.08 -1.28 -2.10 114.38 116.73 3fki h ARG 393 Ca 0.14 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3fki h ARG 393 Cb 0.33 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3fki h ARG 393 CO 0.00 0.44 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.35 3fki h ASN 394 N 0.49 0.00 -4.18 7.04 -0.26 -1.17 -3.49 115.58 114.01 3fki h ASN 394 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3fki h ASN 394 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3fki h ASN 394 CO -0.01 0.09 0.00 0.61 -1.06 0.00 0.00 177.43 177.06 3fki n GLY 395 N -0.71 -1.20 0.37 2.83 0.00 -0.79 -3.96 105.19 101.72 3fki n GLY 395 Ca -0.02 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.47 3fki n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fki n PRO 396 N -1.35 1.48 -0.11 1.61 -0.04 -1.05 -3.18 135.00 132.35 3fki n PRO 396 Ca 0.00 -0.72 -0.21 0.00 -0.04 0.00 0.00 63.50 62.53 3fki n PRO 396 Cb 0.00 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 3fki n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fki n ASN 397 N -0.02 1.87 -4.76 3.54 3.02 -1.26 -4.93 115.26 112.72 3fki n ASN 397 Ca 0.13 0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 54.59 3fki n ASN 397 Cb 0.22 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 3fki n ASN 397 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fki s GLU 398 N -2.62 4.30 0.01 3.52 2.02 -1.25 -4.97 118.70 119.71 3fki s GLU 398 Ca -0.34 2.27 -0.02 0.00 0.02 0.00 0.00 54.97 56.90 3fki s GLU 398 Cb 0.10 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 3fki s GLU 398 CO 0.44 -0.32 1.04 1.25 0.02 0.00 0.00 175.26 177.69 3fki h HIS 399 N 4.26 -0.11 -0.81 1.61 -0.00 -1.90 -3.31 115.15 114.90 3fki h HIS 399 Ca -0.47 0.00 -0.42 0.00 -0.00 0.00 0.00 60.37 59.48 3fki h HIS 399 Cb 1.22 0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 28.62 3fki h HIS 399 CO 0.58 -0.03 1.11 -2.14 -0.00 0.00 0.00 177.93 177.45 3fki s PRO 400 N -3.17 2.96 0.00 5.26 0.02 -1.26 -4.79 135.00 134.01 3fki s PRO 400 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 61.00 60.24 3fki s PRO 400 Cb 0.00 -5.21 0.00 0.00 0.02 0.00 0.00 34.50 29.32 3fki s PRO 400 CO 0.04 -3.02 0.00 0.41 -0.33 0.00 0.00 177.00 174.10 3fki n GLY 401 N 6.63 4.13 3.22 0.52 0.00 -1.25 -4.73 105.19 113.71 3fki n GLY 401 Ca 0.39 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 3fki n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fki s ALA 402 N -1.50 -0.54 -0.06 4.61 0.00 -1.19 -1.28 121.76 121.80 3fki s ALA 402 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3fki s ALA 402 Cb 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.38 3fki s ALA 402 CO 0.00 -0.41 0.12 0.36 0.00 0.00 0.00 175.76 175.83 3fki n LYS 403 N 0.55 1.58 -3.93 0.00 2.85 -1.11 -2.53 118.16 115.56 3fki n LYS 403 Ca -0.18 -0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 56.94 3fki n LYS 403 Cb 0.60 -1.00 -0.12 0.00 -0.65 0.00 0.00 35.03 33.85 3fki n LYS 403 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3fki s TYR 404 N -2.07 0.15 -0.12 5.58 1.51 -1.17 -2.11 117.35 119.10 3fki s TYR 404 Ca -0.01 -0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3fki s TYR 404 Cb 0.03 -0.11 0.03 0.00 -0.11 0.00 0.00 41.96 41.80 3fki s TYR 404 CO 0.19 -0.11 -0.08 0.08 -1.11 0.00 0.00 175.55 174.51 3fki s VAL 405 N -0.84 1.08 -0.21 0.71 1.01 -1.10 -1.28 120.40 119.78 3fki s VAL 405 Ca -0.09 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3fki s VAL 405 Cb -0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3fki s VAL 405 CO -0.01 0.36 0.09 -0.63 0.00 0.00 0.00 175.10 174.92 3fki s ILE 406 N 1.68 4.92 0.46 2.22 1.01 0.35 -2.09 121.20 129.75 3fki s ILE 406 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 3fki s ILE 406 Cb -0.13 -3.25 0.10 0.00 0.01 0.00 0.00 42.46 39.20 3fki s ILE 406 CO -0.08 0.41 0.63 0.54 0.00 0.00 0.00 174.94 176.44 3fki n ARG 407 N 3.90 -0.43 -0.23 2.79 1.74 -1.17 -0.52 116.66 122.73 3fki n ARG 407 Ca -0.16 -1.12 -0.07 0.00 -0.77 0.00 0.00 57.85 55.73 3fki n ARG 407 Cb 0.52 -0.60 0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3fki n ARG 407 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3fki h ASP 408 N -0.74 0.85 -4.38 0.55 3.04 -1.93 -3.43 116.42 110.38 3fki h ASP 408 Ca -0.20 -0.13 -0.51 0.00 -3.24 0.00 0.00 57.03 52.95 3fki h ASP 408 Cb 0.60 -0.22 0.07 0.00 -1.04 0.00 0.00 39.33 38.74 3fki h ASP 408 CO 0.16 0.74 0.42 -0.94 -2.04 0.00 0.00 179.24 177.58 3fki s SER 409 N -6.06 5.98 -0.69 4.15 1.04 -1.26 -4.93 113.70 111.94 3fki s SER 409 Ca -0.13 1.36 -0.23 0.00 0.48 0.00 0.00 55.95 57.43 3fki s SER 409 Cb 0.14 -2.34 -0.18 0.00 0.10 0.00 0.00 66.02 63.73 3fki s SER 409 CO 0.79 -1.02 1.89 0.61 0.98 0.00 0.00 173.24 176.49 3fki n GLY 410 N -2.76 2.34 3.17 7.32 0.00 -1.26 -4.86 105.19 109.14 3fki n GLY 410 Ca 0.06 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 3fki n GLY 410 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fki s ASP 411 N 5.23 2.21 -0.11 1.61 -1.08 -1.26 -5.05 116.67 118.21 3fki s ASP 411 Ca 0.59 -0.35 -0.03 0.00 -0.52 0.00 0.00 52.55 52.23 3fki s ASP 411 Cb 0.14 -0.41 -0.03 0.00 -1.46 0.00 0.00 42.92 41.16 3fki s ASP 411 CO 0.14 0.20 0.01 -0.13 0.52 0.00 0.00 175.17 175.92 3fki s ARG 412 N -0.24 3.27 -0.29 4.34 1.81 -1.26 -3.05 118.95 123.53 3fki s ARG 412 Ca 0.02 -0.39 0.03 0.00 -1.72 0.00 0.00 55.73 53.67 3fki s ARG 412 Cb -0.09 -2.90 0.07 0.00 -0.45 0.00 0.00 34.95 31.58 3fki s ARG 412 CO 0.01 0.57 -0.05 0.42 -0.68 0.00 0.00 175.30 175.57 3fki s ILE 413 N -0.52 2.23 -0.77 1.52 1.01 -0.89 -5.01 121.20 118.77 3fki s ILE 413 Ca 0.09 -1.90 -0.26 0.00 0.00 0.00 0.00 60.65 58.58 3fki s ILE 413 Cb -0.12 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.94 3fki s ILE 413 CO 0.02 -0.25 1.30 -0.62 0.00 0.00 0.00 174.94 175.39 3fki s ASP 414 N 1.03 6.20 0.41 3.58 -1.08 -1.26 -2.71 116.67 122.85 3fki s ASP 414 Ca -0.01 -0.58 0.11 0.00 -0.52 0.00 0.00 52.55 51.55 3fki s ASP 414 Cb -0.20 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 39.59 3fki s ASP 414 CO -0.06 -1.80 1.97 -0.07 0.52 0.00 0.00 175.17 175.73 3fki h LEU 415 N 12.98 0.17 -1.56 -1.34 3.38 -1.79 -2.13 115.31 125.03 3fki h LEU 415 Ca -0.22 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3fki h LEU 415 Cb 1.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3fki h LEU 415 CO 1.30 0.30 -0.23 0.08 0.09 0.00 0.00 178.44 179.98 3fki h ARG 416 N 0.18 0.00 0.00 1.13 0.11 -1.90 -3.42 114.38 110.48 3fki h ARG 416 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 3fki h ARG 416 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 3fki h ARG 416 CO 0.02 0.23 0.00 0.66 0.10 0.00 0.00 179.97 180.97 3fki n TYR 417 N -3.87 0.00 -3.10 4.08 4.01 -0.84 -5.11 117.16 112.33 3fki n TYR 417 Ca -0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.80 3fki n TYR 417 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.33 3fki n TYR 417 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3fki n SER 418 N 0.00 -6.41 0.00 7.72 2.88 -0.96 -4.71 113.62 112.14 3fki n SER 418 Ca 0.00 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 3fki n SER 418 Cb 0.00 -1.74 0.00 0.00 -0.75 0.00 0.00 64.21 61.72 3fki n SER 418 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3fki n LYS 419 N -2.70 2.10 -2.00 -1.46 4.81 -1.26 -4.80 118.16 112.85 3fki n LYS 419 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 3fki n LYS 419 Cb 0.26 -0.86 0.03 0.00 0.02 0.00 0.00 35.03 34.47 3fki n LYS 419 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3fki n ARG 420 N -1.77 3.33 0.05 1.64 0.63 -1.26 -4.78 116.66 114.50 3fki n ARG 420 Ca 0.00 -4.04 -0.04 0.00 -0.92 0.00 0.00 57.85 52.85 3fki n ARG 420 Cb 0.36 -2.27 0.18 0.00 0.45 0.00 0.00 32.46 31.18 3fki n ARG 420 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fki h ALA 421 N 2.31 1.01 0.00 5.13 0.00 -1.87 -3.14 119.26 122.70 3fki h ALA 421 Ca 0.41 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3fki h ALA 421 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3fki h ALA 421 CO 0.99 0.61 -0.68 0.78 0.00 0.00 0.00 179.25 180.94 3fki h GLY 422 N 1.14 0.00 0.00 0.00 0.00 -1.92 -3.44 103.07 98.84 3fki h GLY 422 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3fki h GLY 422 CO 0.07 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.95 3fki n ASP 423 N -3.67 0.00 -1.85 0.19 2.03 -1.19 -4.88 116.55 107.19 3fki n ASP 423 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 3fki n ASP 423 Cb 0.68 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 3fki n ASP 423 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3fki n ILE 424 N 0.00-11.25 -3.35 5.18 5.41 -1.25 -4.95 119.36 109.14 3fki n ILE 424 Ca 0.00 2.68 -0.43 0.00 1.00 0.00 0.00 62.75 66.00 3fki n ILE 424 Cb 0.00 -5.04 -0.09 0.00 -0.71 0.00 0.00 39.64 33.80 3fki n ILE 424 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3fki s GLN 425 N -1.06 3.04 0.24 0.38 -0.21 -1.26 -5.06 119.66 115.73 3fki s GLN 425 Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 55.36 54.10 3fki s GLN 425 Cb 0.00 -4.02 -0.10 0.00 1.00 0.00 0.00 33.01 29.89 3fki s GLN 425 CO 0.00 -0.91 1.47 -0.51 -2.12 0.00 0.00 175.29 173.23 3fki s LEU 426 N 1.97 4.38 0.00 2.90 1.43 -1.26 -5.01 118.68 123.09 3fki s LEU 426 Ca 0.09 2.68 0.02 0.00 -1.03 0.00 0.00 54.13 55.89 3fki s LEU 426 Cb -0.19 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3fki s LEU 426 CO 0.11 -0.74 -0.01 -1.10 0.23 0.00 0.00 176.35 174.83 3fki s GLN 427 N -0.14 2.73 -0.04 1.70 -1.52 -1.26 -5.07 119.66 116.07 3fki s GLN 427 Ca 0.61 -0.64 -0.35 0.00 -1.95 0.00 0.00 55.36 53.03 3fki s GLN 427 Cb -0.43 -2.63 -0.14 0.00 -0.22 0.00 0.00 33.01 29.60 3fki s GLN 427 CO 0.42 0.62 1.71 0.66 -0.25 0.00 0.00 175.29 178.45 3fki n TYR 428 N 1.42 2.17 0.00 0.91 4.02 -1.26 -2.05 117.16 122.36 3fki n TYR 428 Ca -0.15 0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 3fki n TYR 428 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 39.34 37.29 3fki n TYR 428 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fki n GLY 429 N 3.88 3.16 3.69 2.72 0.00 -1.05 -5.04 105.19 112.55 3fki n GLY 429 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3fki n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fki s TRP 430 N -2.77 2.12 -0.20 1.61 0.52 -0.87 -4.68 118.94 114.67 3fki s TRP 430 Ca 0.00 1.44 -0.01 0.00 0.02 0.00 0.00 56.10 57.55 3fki s TRP 430 Cb 0.00 -3.16 0.01 0.00 -1.15 0.00 0.00 33.47 29.16 3fki s TRP 430 CO 0.00 -2.50 -0.13 0.15 0.02 0.00 0.00 176.95 174.49 3fki s LYS 431 N -4.81 3.18 -0.31 4.98 1.02 0.32 -0.12 119.74 123.99 3fki s LYS 431 Ca 0.64 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.82 3fki s LYS 431 Cb -0.20 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 3fki s LYS 431 CO 0.58 -0.19 0.11 0.08 -0.92 0.00 0.00 175.35 175.01 3fki s VAL 432 N 1.34 4.09 -0.46 3.17 1.01 0.97 0.13 120.40 130.65 3fki s VAL 432 Ca 0.05 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 3fki s VAL 432 Cb -0.14 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.11 3fki s VAL 432 CO -0.08 -0.01 1.14 -1.61 0.00 0.00 0.00 175.10 174.55 3fki s GLU 433 N 1.50 3.76 0.42 2.72 2.02 -0.40 -1.12 118.70 127.59 3fki s GLU 433 Ca 0.02 0.64 0.07 0.00 0.02 0.00 0.00 54.97 55.72 3fki s GLU 433 Cb -0.18 -3.89 -0.05 0.00 0.10 0.00 0.00 34.13 30.11 3fki s GLU 433 CO 0.04 -1.34 0.21 -0.98 0.02 0.00 0.00 175.26 173.21 3fki s ARG 434 N 4.39 2.27 1.01 1.61 1.70 0.63 -2.76 118.95 127.79 3fki s ARG 434 Ca 0.48 -1.81 -0.12 0.00 -0.47 0.00 0.00 55.73 53.81 3fki s ARG 434 Cb -0.08 -2.04 0.19 0.00 -0.57 0.00 0.00 34.95 32.46 3fki s ARG 434 CO 0.30 -0.14 1.08 -1.01 -1.08 0.00 0.00 175.30 174.45 3fki s HIS 435 N -2.59 1.98 -0.42 5.89 3.76 -0.41 -0.84 115.29 122.67 3fki s HIS 435 Ca 0.42 1.11 -0.29 0.00 -0.15 0.00 0.00 55.06 56.15 3fki s HIS 435 Cb 0.03 -3.21 0.02 0.00 1.11 0.00 0.00 32.58 30.53 3fki s HIS 435 CO 0.23 -2.99 1.23 0.42 -0.85 0.00 0.00 174.74 172.78 3fki s ILE 436 N -2.85 4.15 0.64 0.60 -1.09 -1.19 -4.58 121.20 116.88 3fki s ILE 436 Ca 0.66 1.21 -0.05 0.00 -2.23 0.00 0.00 60.65 60.23 3fki s ILE 436 Cb -0.20 -4.41 0.04 0.00 -1.58 0.00 0.00 42.46 36.31 3fki s ILE 436 CO 0.59 -0.81 0.93 -0.04 -1.23 0.00 0.00 174.94 174.39 3fki s MET 437 N 4.46 2.49 0.35 2.79 -1.94 -1.26 -4.91 119.30 121.27 3fki s MET 437 Ca 0.52 -0.26 -0.28 0.00 -1.71 0.00 0.00 55.69 53.96 3fki s MET 437 Cb -0.11 -2.26 -0.10 0.00 2.01 0.00 0.00 34.83 34.37 3fki s MET 437 CO 0.29 -0.97 1.32 -0.51 -0.01 0.00 0.00 175.02 175.14 3fki s ASP 438 N -4.43 6.67 -0.67 3.03 1.11 -1.26 -3.38 116.67 117.73 3fki s ASP 438 Ca 0.57 2.72 -0.02 0.00 0.18 0.00 0.00 52.55 56.00 3fki s ASP 438 Cb -0.11 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.24 3fki s ASP 438 CO 0.44 -0.61 0.30 0.59 1.18 0.00 0.00 175.17 177.06 3fki n ASN 439 N 0.67 -3.60 -4.61 0.27 3.02 0.16 -4.91 115.26 106.26 3fki n ASN 439 Ca 0.01 -0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.03 3fki n ASN 439 Cb 0.42 -2.46 -0.10 0.00 -0.61 0.00 0.00 39.78 37.02 3fki n ASN 439 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3fki s ASP 440 N -2.90 6.15 0.16 6.41 1.11 -1.22 -4.77 116.67 121.60 3fki s ASP 440 Ca 0.15 0.15 -0.31 0.00 0.18 0.00 0.00 52.55 52.71 3fki s ASP 440 Cb -0.06 -2.16 -0.11 0.00 1.07 0.00 0.00 42.92 41.65 3fki s ASP 440 CO 0.18 -0.10 1.75 -2.16 1.18 0.00 0.00 175.17 176.02 3fki s PRO 441 N 1.82 4.15 0.00 8.23 0.04 -1.26 -3.31 135.00 144.67 3fki s PRO 441 Ca 0.11 2.55 0.02 0.00 0.04 0.00 0.00 61.00 63.72 3fki s PRO 441 Cb -0.16 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 3fki s PRO 441 CO 0.10 -0.78 -0.06 0.14 0.04 0.00 0.00 177.00 176.45 3fki s VAL 442 N 1.97 0.45 -0.14 -0.36 -7.23 -0.65 -4.52 120.40 109.92 3fki s VAL 442 Ca 0.77 -0.38 -0.27 0.00 -1.81 0.00 0.00 61.98 60.30 3fki s VAL 442 Cb -0.47 -0.41 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 3fki s VAL 442 CO 0.34 0.04 0.88 -0.22 -0.31 0.00 0.00 175.10 175.83 3fki s LEU 443 N -0.37 4.21 -0.11 1.32 1.98 -0.49 -0.44 118.68 124.78 3fki s LEU 443 Ca 0.00 1.30 0.03 0.00 -2.89 0.00 0.00 54.13 52.57 3fki s LEU 443 Cb -0.03 -3.33 -0.00 0.00 0.66 0.00 0.00 46.19 43.48 3fki s LEU 443 CO -0.00 -0.39 -0.22 0.12 -1.89 0.00 0.00 176.35 173.97 3fki s PHE 444 N 1.99 2.61 0.02 5.38 5.36 0.66 -0.00 117.98 134.00 3fki s PHE 444 Ca 0.42 -1.01 0.04 0.00 -0.96 0.00 0.00 56.93 55.41 3fki s PHE 444 Cb -0.17 -1.74 -0.02 0.00 -0.34 0.00 0.00 43.02 40.75 3fki s PHE 444 CO 0.15 -0.40 -0.11 1.21 -1.46 0.00 0.00 175.22 174.60 3fki s ASN 445 N 0.39 1.30 -0.35 6.13 2.47 -0.55 -1.90 114.94 122.43 3fki s ASN 445 Ca -0.16 -0.35 0.01 0.00 0.42 0.00 0.00 52.86 52.77 3fki s ASN 445 Cb -0.17 -0.09 0.11 0.00 -1.45 0.00 0.00 41.25 39.64 3fki s ASN 445 CO 0.07 0.03 0.13 -0.60 -3.72 0.00 0.00 177.10 173.01 3fki s ARG 446 N -0.82 0.95 0.31 0.43 3.00 -1.03 -0.86 118.95 120.93 3fki s ARG 446 Ca 0.01 -1.41 -0.28 0.00 -1.00 0.00 0.00 55.73 53.04 3fki s ARG 446 Cb -0.06 -2.23 -0.09 0.00 0.00 0.00 0.00 34.95 32.56 3fki s ARG 446 CO 0.00 -1.03 1.09 1.14 0.00 0.00 0.00 175.30 176.51 3fki s GLN 447 N 1.20 4.52 0.19 5.12 -2.07 -1.26 -3.70 119.66 123.65 3fki s GLN 447 Ca 0.12 1.75 -0.31 0.00 -1.82 0.00 0.00 55.36 55.10 3fki s GLN 447 Cb -0.19 -3.04 -0.09 0.00 -1.09 0.00 0.00 33.01 28.60 3fki s GLN 447 CO -0.16 0.12 1.42 -1.25 -1.32 0.00 0.00 175.29 174.09 3fki s PRO 448 N -1.69 4.30 -0.52 9.60 0.04 -1.26 -4.98 135.00 140.48 3fki s PRO 448 Ca 0.48 2.20 -0.20 0.00 0.04 0.00 0.00 61.00 63.52 3fki s PRO 448 Cb -0.30 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.13 3fki s PRO 448 CO 0.38 -0.42 0.67 -1.54 0.04 0.00 0.00 177.00 176.13 3fki s SER 449 N 0.69 6.23 -0.00 6.66 1.04 -1.24 -4.88 113.70 122.19 3fki s SER 449 Ca 0.62 -0.93 0.16 0.00 0.48 0.00 0.00 55.95 56.28 3fki s SER 449 Cb -0.40 -2.31 -0.18 0.00 0.10 0.00 0.00 66.02 63.24 3fki s SER 449 CO 0.36 -0.96 0.64 0.18 0.98 0.00 0.00 173.24 174.44 3fki n LEU 450 N 6.34 0.67 -4.70 2.42 4.77 -1.26 -5.03 117.00 120.21 3fki n LEU 450 Ca -0.06 -0.45 -0.27 0.00 -0.03 0.00 0.00 56.01 55.20 3fki n LEU 450 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3fki n LEU 450 CO 0.56 0.17 -0.22 -1.00 -1.33 0.00 0.00 177.39 175.57 3fki s HIS 451 N -2.55 2.44 0.33 -1.77 3.76 -1.26 -4.74 115.29 111.50 3fki s HIS 451 Ca 0.05 -0.68 0.12 0.00 -0.15 0.00 0.00 55.06 54.40 3fki s HIS 451 Cb 0.12 -1.84 0.57 0.00 1.11 0.00 0.00 32.58 32.53 3fki s HIS 451 CO 0.65 0.28 1.73 -0.22 -0.85 0.00 0.00 174.74 176.33 3fki h LYS 452 N 1.54 0.00 0.00 1.40 3.64 -1.95 -3.42 116.57 117.78 3fki h LYS 452 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3fki h LYS 452 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3fki h LYS 452 CO 0.75 0.48 0.00 -1.33 -2.27 0.00 0.00 179.45 177.07 3fki n MET 453 N -3.96 1.98 0.00 1.90 0.00 -1.26 -4.18 117.12 111.59 3fki n MET 453 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 3fki n MET 453 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.72 3fki n MET 453 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3fki n SER 454 N 0.00 0.00 -3.66 7.83 7.64 -1.26 -4.68 113.62 119.49 3fki n SER 454 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 3fki n SER 454 Cb 0.00 -0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 62.48 3fki n SER 454 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3fki s MET 455 N 0.00 1.07 0.25 1.43 1.00 -1.25 -2.46 119.30 119.35 3fki s MET 455 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 55.69 54.03 3fki s MET 455 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 34.83 32.70 3fki s MET 455 CO 0.00 -1.15 -0.14 -1.64 0.00 0.00 0.00 175.02 172.08 3fki s MET 456 N 0.63 1.86 -0.07 2.03 1.00 -0.80 -4.86 119.30 119.09 3fki s MET 456 Ca 0.17 -1.58 -0.17 0.00 0.00 0.00 0.00 55.69 54.11 3fki s MET 456 Cb -0.24 -1.93 -0.05 0.00 0.00 0.00 0.00 34.83 32.62 3fki s MET 456 CO -0.02 0.36 0.44 0.00 0.00 0.00 0.00 175.02 175.81 3fki s ALA 457 N -2.25 3.56 0.08 3.03 0.00 0.74 -0.24 121.76 126.68 3fki s ALA 457 Ca 0.28 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3fki s ALA 457 Cb -0.06 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 3fki s ALA 457 CO 0.16 0.18 -0.17 -1.01 0.00 0.00 0.00 175.76 174.92 3fki s HIS 458 N -0.02 1.46 -0.01 0.00 3.76 0.42 -2.81 115.29 118.09 3fki s HIS 458 Ca 0.24 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.46 3fki s HIS 458 Cb -0.16 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.68 3fki s HIS 458 CO 0.11 0.12 0.77 1.03 -0.85 0.00 0.00 174.74 175.93 3fki s ARG 459 N -1.82 4.48 0.05 1.40 0.52 -0.89 -1.64 118.95 121.05 3fki s ARG 459 Ca 0.02 1.05 -0.24 0.00 -0.52 0.00 0.00 55.73 56.03 3fki s ARG 459 Cb -0.10 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 31.90 3fki s ARG 459 CO 0.03 0.13 0.72 0.08 0.02 0.00 0.00 175.30 176.28 3fki s VAL 460 N 0.51 4.73 -0.32 3.52 1.01 -1.21 0.15 120.40 128.79 3fki s VAL 460 Ca 0.40 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 3fki s VAL 460 Cb -0.19 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.22 3fki s VAL 460 CO 0.22 0.40 0.13 -0.75 0.00 0.00 0.00 175.10 175.09 3fki s LYS 461 N -0.23 0.65 -0.00 2.72 2.20 -0.91 0.36 119.74 124.53 3fki s LYS 461 Ca 0.36 -1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 3fki s LYS 461 Cb -0.20 -1.81 -0.08 0.00 -1.51 0.00 0.00 37.83 34.23 3fki s LYS 461 CO 0.22 -1.03 2.00 0.08 -0.36 0.00 0.00 175.35 176.26 3fki s VAL 462 N 1.55 3.03 0.08 4.02 1.01 -1.26 -3.47 120.40 125.36 3fki s VAL 462 Ca 0.11 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3fki s VAL 462 Cb -0.18 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3fki s VAL 462 CO -0.23 -0.01 -0.13 0.27 0.00 0.00 0.00 175.10 175.00 3fki s ILE 463 N 5.04 1.12 1.06 2.22 -5.25 0.23 -4.96 121.20 120.65 3fki s ILE 463 Ca 0.90 -1.43 -0.12 0.00 -0.99 0.00 0.00 60.65 59.00 3fki s ILE 463 Cb -0.41 -1.20 0.22 0.00 2.95 0.00 0.00 42.46 44.03 3fki s ILE 463 CO 0.40 -0.32 1.07 -2.16 -1.79 0.00 0.00 174.94 172.14 3fki s PRO 464 N -2.08 -0.05 0.22 0.37 0.04 -1.26 -2.28 135.00 129.96 3fki s PRO 464 Ca 0.01 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.83 3fki s PRO 464 Cb -0.08 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3fki s PRO 464 CO 0.02 -3.12 0.00 0.66 0.04 0.00 0.00 177.00 174.60 3fki n TYR 465 N -4.49 -1.66 1.48 0.56 4.02 -1.26 -4.80 117.16 111.02 3fki n TYR 465 Ca 0.05 0.90 0.04 0.00 -0.01 0.00 0.00 57.90 58.88 3fki n TYR 465 Cb 0.55 -1.73 0.14 0.00 -0.02 0.00 0.00 39.34 38.28 3fki n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3fki n SER 466 N -1.80 0.90 -4.86 7.72 7.64 -1.26 -4.43 113.62 117.52 3fki n SER 466 Ca 0.00 -1.93 -0.33 0.00 1.01 0.00 0.00 58.87 57.62 3fki n SER 466 Cb 0.16 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 3fki n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fki s THR 467 N -1.79 5.16 0.26 0.44 -4.23 -1.26 -4.71 115.64 109.52 3fki s THR 467 Ca 0.15 -0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.07 3fki s THR 467 Cb 0.07 -3.41 -0.09 0.00 1.34 0.00 0.00 72.50 70.41 3fki s THR 467 CO 0.10 0.31 1.23 -0.36 -0.54 0.00 0.00 174.62 175.36 3fki s PHE 468 N -1.30 3.32 -0.05 3.99 2.99 -0.08 -4.32 117.98 122.53 3fki s PHE 468 Ca 0.27 1.46 0.04 0.00 0.00 0.00 0.00 56.93 58.69 3fki s PHE 468 Cb -0.12 -3.50 -0.00 0.00 0.00 0.00 0.00 43.02 39.39 3fki s PHE 468 CO 0.18 -1.37 -0.16 1.03 -0.00 0.00 0.00 175.22 174.90 3fki s ARG 469 N -1.06 1.77 0.06 0.44 0.52 -0.80 -0.40 118.95 119.47 3fki s ARG 469 Ca 0.50 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 55.09 3fki s ARG 469 Cb -0.36 -1.52 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 3fki s ARG 469 CO 0.43 0.21 0.06 -0.48 0.02 0.00 0.00 175.30 175.54 3fki s LEU 470 N 0.13 2.01 0.42 2.53 0.05 -1.17 0.16 118.68 122.82 3fki s LEU 470 Ca -0.06 -0.76 -0.25 0.00 0.05 0.00 0.00 54.13 53.12 3fki s LEU 470 Cb -0.12 0.53 -0.08 0.00 -2.05 0.00 0.00 46.19 44.46 3fki s LEU 470 CO 0.03 -0.60 1.24 0.21 -0.55 0.00 0.00 176.35 176.68 3fki s ASN 471 N -2.62 6.30 0.42 1.48 3.84 -1.26 -2.14 114.94 120.96 3fki s ASN 471 Ca 0.02 2.51 0.15 0.00 0.21 0.00 0.00 52.86 55.76 3fki s ASN 471 Cb 0.04 -2.63 0.92 0.00 -0.55 0.00 0.00 41.25 39.03 3fki s ASN 471 CO -0.08 -0.84 1.92 -0.07 -2.79 0.00 0.00 177.10 175.23 3fki h LEU 472 N 2.52 0.00 -1.35 3.21 3.38 -1.91 -2.88 115.31 118.28 3fki h LEU 472 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3fki h LEU 472 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3fki h LEU 472 CO 0.62 0.27 0.00 0.28 0.09 0.00 0.00 178.44 179.70 3fki h SER 473 N 0.00 0.00 -0.31 -0.43 0.02 -1.92 -2.74 113.55 108.17 3fki h SER 473 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fki h SER 473 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3fki h SER 473 CO 0.03 0.00 0.00 0.55 -1.14 0.00 0.00 176.83 176.27 3fki n VAL 474 N -2.89 0.40 0.03 2.27 3.14 -1.09 -4.16 118.33 116.04 3fki n VAL 474 Ca 0.01 -0.52 -0.09 0.00 -2.96 0.00 0.00 64.34 60.78 3fki n VAL 474 Cb 0.28 0.47 0.05 0.00 -1.06 0.00 0.00 33.84 33.57 3fki n VAL 474 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3fki h THR 475 N 2.81 1.35 -0.02 1.55 1.03 -1.64 -3.10 112.91 114.89 3fki h THR 475 Ca 0.00 -1.96 -0.24 0.00 -0.01 0.00 0.00 66.41 64.20 3fki h THR 475 Cb 0.63 1.94 0.01 0.00 -1.07 0.00 0.00 68.15 69.66 3fki h THR 475 CO 0.00 0.60 -0.96 0.77 -0.01 0.00 0.00 175.52 175.91 3fki h SER 476 N 0.34 0.77 0.02 0.00 4.64 -1.82 0.34 113.55 117.85 3fki h SER 476 Ca -0.01 -0.60 -0.09 0.00 -0.47 0.00 0.00 61.79 60.62 3fki h SER 476 Cb 1.19 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3fki h SER 476 CO 0.11 1.39 -0.28 -0.65 -0.87 0.00 0.00 176.83 176.54 3fki h PRO 477 N 0.35 0.39 0.07 4.77 0.11 -1.77 -3.33 132.00 132.59 3fki h PRO 477 Ca -0.10 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 3fki h PRO 477 Cb 1.60 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.69 3fki h PRO 477 CO 0.18 0.64 -0.03 1.88 -0.21 0.00 0.00 178.00 180.46 3fki h TYR 478 N 0.35 -0.08 -5.68 0.65 -1.99 -1.53 -3.36 116.97 105.33 3fki h TYR 478 Ca 0.05 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3fki h TYR 478 Cb 0.67 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.43 3fki h TYR 478 CO 0.02 0.20 -0.35 0.27 -0.00 0.00 0.00 178.16 178.29 3fki n ASN 479 N -4.81 -6.54 -1.21 3.88 0.23 0.12 -4.84 115.26 102.10 3fki n ASN 479 Ca -0.04 0.67 0.00 0.00 -0.53 0.00 0.00 54.58 54.68 3fki n ASN 479 Cb 0.16 -1.40 0.00 0.00 -2.08 0.00 0.00 39.78 36.45 3fki n ASN 479 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fki n ALA 480 N 1.93 -2.57 -3.00 -2.53 0.00 -1.26 -4.93 120.51 108.15 3fki n ALA 480 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fki n ALA 480 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3fki n ALA 480 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fki n ASP 481 N 0.00 0.00 0.00 0.00 5.68 -1.26 -4.84 116.55 116.13 3fki n ASP 481 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3fki n ASP 481 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3fki n ASP 481 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3fki n PHE 482 N 0.00 0.00 -1.43 2.11 3.01 -1.26 -4.84 117.46 115.05 3fki n PHE 482 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 3fki n PHE 482 Cb 0.00 0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 3fki n PHE 482 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3fki n ASP 483 N 0.00 6.71 -1.14 4.37 5.68 -1.26 -4.30 116.55 126.61 3fki n ASP 483 Ca 0.00 -2.66 -0.06 0.00 -0.50 0.00 0.00 54.79 51.57 3fki n ASP 483 Cb 0.40 -1.57 0.02 0.00 -1.14 0.00 0.00 41.12 38.83 3fki n ASP 483 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fki n GLY 484 N 3.80 0.50 3.71 6.12 0.00 -1.26 -5.02 105.19 113.04 3fki n GLY 484 Ca 0.67 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fki n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fki s ASP 485 N -3.02 7.19 0.07 1.61 1.11 -1.26 -5.01 116.67 117.36 3fki s ASP 485 Ca 0.12 1.44 -0.00 0.00 0.18 0.00 0.00 52.55 54.29 3fki s ASP 485 Cb -0.05 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 3fki s ASP 485 CO 0.15 -0.19 0.22 -1.61 1.18 0.00 0.00 175.17 174.92 3fki s GLU 486 N 0.90 3.45 0.02 8.23 2.02 -1.26 -1.90 118.70 130.17 3fki s GLU 486 Ca 0.45 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 55.03 3fki s GLU 486 Cb -0.19 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 3fki s GLU 486 CO 0.23 0.60 -0.04 -1.64 0.02 0.00 0.00 175.26 174.43 3fki s MET 487 N -2.52 0.35 0.34 1.61 -1.94 -0.86 -4.76 119.30 111.52 3fki s MET 487 Ca 0.35 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.76 3fki s MET 487 Cb -0.13 -0.04 -0.03 0.00 2.01 0.00 0.00 34.83 36.64 3fki s MET 487 CO 0.28 -0.01 0.54 -0.80 -0.01 0.00 0.00 175.02 175.02 3fki s ASN 488 N -1.32 6.28 0.01 3.03 -0.87 -0.04 -2.75 114.94 119.28 3fki s ASN 488 Ca -0.12 0.41 0.00 0.00 -1.57 0.00 0.00 52.86 51.58 3fki s ASN 488 Cb -0.09 -2.00 -0.01 0.00 -0.02 0.00 0.00 41.25 39.14 3fki s ASN 488 CO -0.00 -0.29 -0.02 -0.22 -2.57 0.00 0.00 177.10 174.00 3fki s LEU 489 N -4.30 2.09 -0.02 0.60 2.96 -0.24 -1.48 118.68 118.29 3fki s LEU 489 Ca 0.40 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3fki s LEU 489 Cb -0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 3fki s LEU 489 CO 0.36 -0.10 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.16 3fki s HIS 490 N -0.53 1.23 -0.16 5.38 3.76 0.99 -2.53 115.29 123.42 3fki s HIS 490 Ca -0.05 -0.26 -0.00 0.00 -0.15 0.00 0.00 55.06 54.59 3fki s HIS 490 Cb -0.04 -0.81 -0.00 0.00 1.11 0.00 0.00 32.58 32.84 3fki s HIS 490 CO -0.00 -0.05 -0.14 0.08 -0.85 0.00 0.00 174.74 173.78 3fki s VAL 491 N -0.18 2.77 0.85 -0.90 1.01 -0.81 -1.40 120.40 121.75 3fki s VAL 491 Ca 0.03 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 3fki s VAL 491 Cb -0.07 -2.18 0.11 0.00 0.00 0.00 0.00 36.38 34.24 3fki s VAL 491 CO -0.00 0.50 1.11 -2.16 0.00 0.00 0.00 175.10 174.56 3fki s PRO 492 N 0.89 1.56 -0.00 2.72 0.04 -1.26 -4.90 135.00 134.04 3fki s PRO 492 Ca -0.04 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3fki s PRO 492 Cb -0.15 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 3fki s PRO 492 CO -0.01 -2.17 0.02 1.04 0.04 0.00 0.00 177.00 175.92 3fki n GLN 493 N -3.89 3.46 -4.08 4.56 1.13 -1.26 -4.81 117.38 112.49 3fki n GLN 493 Ca 0.10 -0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.04 3fki n GLN 493 Cb 0.53 -0.77 -0.11 0.00 0.11 0.00 0.00 30.24 30.00 3fki n GLN 493 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3fki s SER 494 N -1.55 0.82 0.52 1.08 0.01 -1.26 -4.48 113.70 108.84 3fki s SER 494 Ca 0.00 -0.71 0.23 0.00 1.31 0.00 0.00 55.95 56.77 3fki s SER 494 Cb 0.00 0.08 1.35 0.00 0.21 0.00 0.00 66.02 67.66 3fki s SER 494 CO 0.02 -0.33 2.03 -0.33 0.41 0.00 0.00 173.24 175.04 3fki h GLU 495 N 3.96 0.02 -0.62 12.44 4.39 -1.96 -1.92 114.58 130.88 3fki h GLU 495 Ca -0.35 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.27 3fki h GLU 495 Cb 1.19 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 3fki h GLU 495 CO 0.50 0.01 0.08 1.49 -1.16 0.00 0.00 179.01 179.93 3fki h GLU 496 N 0.02 1.03 0.00 2.33 4.81 -2.01 -2.98 114.58 117.79 3fki h GLU 496 Ca 0.20 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3fki h GLU 496 Cb 0.77 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3fki h GLU 496 CO -0.01 0.96 -0.40 1.79 -0.73 0.00 0.00 179.01 180.62 3fki h THR 497 N 0.96 0.74 -0.60 0.32 1.35 -1.78 -3.11 112.91 110.80 3fki h THR 497 Ca 0.19 -1.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.12 3fki h THR 497 Cb 0.44 2.23 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 3fki h THR 497 CO 0.01 0.39 0.08 0.03 -0.25 0.00 0.00 175.52 175.79 3fki h ARG 498 N 0.00 0.98 -0.60 4.72 3.08 -1.37 -2.38 114.38 118.82 3fki h ARG 498 Ca -0.00 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 3fki h ARG 498 Cb 1.20 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3fki h ARG 498 CO 0.05 0.91 0.18 0.00 -1.07 0.00 0.00 179.97 180.04 3fki h ALA 499 N 1.16 0.78 0.00 0.04 0.00 -1.49 0.11 119.26 119.86 3fki h ALA 499 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fki h ALA 499 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fki h ALA 499 CO 0.01 0.46 -0.05 0.93 0.00 0.00 0.00 179.25 180.61 3fki h GLU 500 N 0.85 0.00 0.00 0.00 5.08 -1.42 -0.24 114.58 118.85 3fki h GLU 500 Ca 0.19 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 3fki h GLU 500 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fki h GLU 500 CO -0.00 0.05 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.38 3fki h LEU 501 N 0.00 0.00 0.00 1.33 3.38 -0.99 -3.29 115.31 115.74 3fki h LEU 501 Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3fki h LEU 501 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fki h LEU 501 CO 0.01 1.22 0.00 -1.54 0.09 0.00 0.00 178.44 178.22 3fki n SER 502 N -4.53 0.00 -0.00 -0.43 3.41 0.33 -1.13 113.62 111.27 3fki n SER 502 Ca -0.20 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3fki n SER 502 Cb 0.56 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3fki n SER 502 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fki n GLN 503 N -1.31 5.17 0.00 4.33 1.13 -0.13 -4.69 117.38 121.88 3fki n GLN 503 Ca 0.13 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 3fki n GLN 503 Cb 0.24 -0.64 0.00 0.00 0.11 0.00 0.00 30.24 29.94 3fki n GLN 503 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3fki n LEU 504 N -1.14 0.00 -0.20 1.08 4.32 -1.23 -4.89 117.00 114.94 3fki n LEU 504 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.06 3fki n LEU 504 Cb 0.01 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.78 3fki n LEU 504 CO 0.01 0.00 0.14 0.00 -1.22 0.00 0.00 177.39 176.32 3fki n ALA 506 N -0.62 2.32 -0.21 0.00 0.00 -0.65 -0.19 120.51 121.16 3fki n ALA 506 Ca 0.05 0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.85 3fki n ALA 506 Cb 0.27 -2.41 0.12 0.00 0.00 0.00 0.00 19.45 17.43 3fki n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fki h VAL 507 N 2.99 0.68 -0.14 0.00 2.07 -1.87 -1.09 116.25 118.88 3fki h VAL 507 Ca -0.50 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3fki h VAL 507 Cb 1.24 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3fki h VAL 507 CO 0.67 0.06 0.12 -0.65 0.02 0.00 0.00 177.57 177.78 3fki h PRO 508 N 0.32 0.00 0.00 1.57 0.11 -1.90 -1.85 132.00 130.26 3fki h PRO 508 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 3fki h PRO 508 Cb 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3fki h PRO 508 CO -0.38 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.29 3fki h LEU 509 N 0.00 0.00 -2.27 2.35 3.38 -1.53 -3.28 115.31 113.95 3fki h LEU 509 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fki h LEU 509 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3fki h LEU 509 CO -0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3fki n GLN 510 N -3.12 2.44 0.37 1.13 1.13 -0.70 -4.54 117.38 114.09 3fki n GLN 510 Ca 0.03 -2.23 -0.19 0.00 -1.94 0.00 0.00 57.00 52.68 3fki n GLN 510 Cb 0.53 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 29.30 3fki n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3fki h ILE 511 N 3.72 0.09 -3.34 5.09 2.04 -1.62 -3.40 117.51 120.09 3fki h ILE 511 Ca 0.00 0.00 -0.57 0.00 1.00 0.00 0.00 64.86 65.29 3fki h ILE 511 Cb 0.85 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3fki h ILE 511 CO 0.00 0.00 0.28 0.68 0.00 0.00 0.00 178.15 179.11 3fki s VAL 512 N -5.95 4.94 -0.16 1.67 -7.23 -1.26 -1.33 120.40 111.07 3fki s VAL 512 Ca -0.18 1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 61.55 3fki s VAL 512 Cb 0.04 -4.13 -0.04 0.00 0.56 0.00 0.00 36.38 32.81 3fki s VAL 512 CO 0.61 0.12 0.05 -0.55 -0.31 0.00 0.00 175.10 175.02 3fki s SER 513 N 1.02 5.55 0.00 4.85 0.15 0.97 -4.92 113.70 121.31 3fki s SER 513 Ca 0.40 0.10 0.12 0.00 0.70 0.00 0.00 55.95 57.26 3fki s SER 513 Cb -0.18 -1.88 0.52 0.00 -1.71 0.00 0.00 66.02 62.77 3fki s SER 513 CO 0.16 0.22 1.34 -0.81 1.20 0.00 0.00 173.24 175.36 3fki n PRO 514 N 3.19 0.05 -0.07 5.44 -0.04 -1.26 -2.38 135.00 139.93 3fki n PRO 514 Ca -0.17 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 3fki n PRO 514 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3fki n PRO 514 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3fki h GLN 515 N 0.00 -0.07 -0.22 0.54 5.75 -1.93 -3.37 115.11 115.81 3fki h GLN 515 Ca 0.00 0.01 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 3fki h GLN 515 Cb 0.17 0.02 -0.29 0.00 1.07 0.00 0.00 27.48 28.45 3fki h GLN 515 CO 0.00 -0.05 -0.76 -1.13 -2.65 0.00 0.00 178.83 174.25 3fki n SER 516 N -5.29 0.27 -4.08 -0.69 3.41 -1.20 -3.50 113.62 102.54 3fki n SER 516 Ca -0.00 -2.09 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 3fki n SER 516 Cb 0.21 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 3fki n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3fki n ASN 517 N -0.83 -0.64 -3.91 4.04 6.94 -1.00 -4.89 115.26 114.97 3fki n ASN 517 Ca -0.04 -1.08 -0.09 0.00 -0.02 0.00 0.00 54.58 53.36 3fki n ASN 517 Cb 0.85 -1.36 -0.08 0.00 -2.36 0.00 0.00 39.78 36.83 3fki n ASN 517 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3fki s LYS 518 N -6.49 0.75 0.26 -3.83 1.02 -1.15 -4.77 119.74 105.53 3fki s LYS 518 Ca 0.44 -0.94 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 3fki s LYS 518 Cb -0.26 0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 37.25 3fki s LYS 518 CO 0.87 -0.22 1.35 -1.25 -0.92 0.00 0.00 175.35 175.18 3fki s PRO 519 N -3.57 4.34 0.11 -1.68 0.04 -1.26 -0.02 135.00 132.96 3fki s PRO 519 Ca 0.03 2.19 0.22 0.00 0.04 0.00 0.00 61.00 63.48 3fki s PRO 519 Cb 0.04 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.35 3fki s PRO 519 CO -0.09 -0.28 0.85 0.00 0.04 0.00 0.00 177.00 177.53 3fki s MET 521 N -3.40 4.00 0.11 0.00 -1.94 -1.26 -4.41 119.30 112.39 3fki s MET 521 Ca -0.03 -0.25 0.03 0.00 -1.71 0.00 0.00 55.69 53.74 3fki s MET 521 Cb 0.11 -3.31 -0.04 0.00 2.01 0.00 0.00 34.83 33.60 3fki s MET 521 CO 0.83 0.37 -0.09 0.20 -0.01 0.00 0.00 175.02 176.33 3fki s GLY 522 N 0.13 0.87 -0.32 -0.03 0.00 -1.26 -4.38 107.32 102.33 3fki s GLY 522 Ca 0.08 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.17 3fki s GLY 522 CO -0.01 -1.43 1.16 -0.42 0.00 0.00 0.00 173.10 172.40 3fki s ILE 523 N -3.18 4.36 0.18 0.90 1.01 -1.23 -4.63 121.20 118.61 3fki s ILE 523 Ca 0.11 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.41 3fki s ILE 523 Cb 0.02 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3fki s ILE 523 CO -0.02 -0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 173.54 3fki s VAL 524 N 3.93 1.93 0.00 2.92 1.01 -1.26 -4.37 120.40 124.55 3fki s VAL 524 Ca 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.51 3fki s VAL 524 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3fki s VAL 524 CO 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 175.10 174.99 3fki n GLN 525 N 0.23 0.00 -0.29 2.72 6.02 -1.26 -3.90 117.38 120.91 3fki n GLN 525 Ca -0.13 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.97 3fki n GLN 525 Cb 0.57 0.00 0.24 0.00 1.02 0.00 0.00 30.24 32.07 3fki n GLN 525 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3fki h ASP 526 N 1.95 -0.12 0.60 1.08 5.19 -1.98 0.29 116.42 123.43 3fki h ASP 526 Ca 0.00 0.20 -0.14 0.00 -0.62 0.00 0.00 57.03 56.47 3fki h ASP 526 Cb 0.00 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 3fki h ASP 526 CO 0.00 -0.16 -0.65 0.74 -3.12 0.00 0.00 179.24 176.05 3fki h THR 527 N 0.18 1.46 -0.01 0.35 2.02 -1.94 0.06 112.91 115.02 3fki h THR 527 Ca 0.51 -2.21 -0.23 0.00 0.77 0.00 0.00 66.41 65.25 3fki h THR 527 Cb 0.98 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 3fki h THR 527 CO -0.66 0.64 -0.93 0.25 0.37 0.00 0.00 175.52 175.19 3fki h LEU 528 N 0.03 0.59 -0.50 2.58 5.85 -0.99 -2.21 115.31 120.67 3fki h LEU 528 Ca -0.01 -0.46 -0.17 0.00 0.84 0.00 0.00 57.88 58.08 3fki h LEU 528 Cb 1.16 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3fki h LEU 528 CO 0.09 1.25 -0.63 0.00 -0.34 0.00 0.00 178.44 178.82 3fki h GLY 530 N 1.20 0.68 2.00 0.00 0.00 -1.02 -3.18 103.07 102.74 3fki h GLY 530 Ca -0.01 -1.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.19 3fki h GLY 530 CO 0.11 0.99 -0.08 1.19 0.00 0.00 0.00 176.54 178.74 3fki h ILE 531 N 0.37 0.91 0.17 2.60 2.10 -1.46 -0.63 117.51 121.56 3fki h ILE 531 Ca -0.09 -0.30 -0.01 0.00 1.08 0.00 0.00 64.86 65.54 3fki h ILE 531 Cb 1.56 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.46 3fki h ILE 531 CO 0.18 0.08 -0.08 -0.09 -1.08 0.00 0.00 178.15 177.15 3fki h ARG 532 N 0.00 -0.23 -0.56 2.19 2.43 -1.61 -2.67 114.38 113.95 3fki h ARG 532 Ca -0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3fki h ARG 532 Cb 0.16 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3fki h ARG 532 CO 0.01 0.19 0.37 0.87 -1.51 0.00 0.00 179.97 179.90 3fki h LYS 533 N -0.88 0.48 0.30 0.20 1.57 -1.45 -2.41 116.57 114.38 3fki h LYS 533 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3fki h LYS 533 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3fki h LYS 533 CO 0.04 0.32 -0.15 1.25 -0.57 0.00 0.00 179.45 180.34 3fki h LEU 534 N 0.50 -0.34 -3.79 2.94 5.85 -1.22 -3.33 115.31 115.91 3fki h LEU 534 Ca 0.24 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 3fki h LEU 534 Cb 0.32 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3fki h LEU 534 CO -0.07 0.03 -0.31 0.35 -0.34 0.00 0.00 178.44 178.11 3fki n THR 535 N -5.12 2.79 -4.11 1.05 -2.24 -0.91 -3.87 114.28 101.87 3fki n THR 535 Ca -0.09 -1.29 -0.27 0.00 -2.27 0.00 0.00 64.05 60.13 3fki n THR 535 Cb 0.26 -1.90 -0.06 0.00 -2.10 0.00 0.00 70.33 66.54 3fki n THR 535 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fki s LEU 536 N 0.00 3.66 0.35 3.22 1.43 -1.23 -4.51 118.68 121.61 3fki s LEU 536 Ca 0.53 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3fki s LEU 536 Cb 0.25 -2.30 0.66 0.00 0.03 0.00 0.00 46.19 44.84 3fki s LEU 536 CO 0.00 0.09 1.85 0.03 0.23 0.00 0.00 176.35 178.55 3fki h ARG 537 N 2.62 0.29 -0.17 1.70 3.08 -1.94 -3.14 114.38 116.83 3fki h ARG 537 Ca -0.47 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.37 3fki h ARG 537 Cb 1.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3fki h ARG 537 CO 0.62 0.47 -0.42 0.22 -1.07 0.00 0.00 179.97 179.80 3fki h ASP 538 N 0.27 0.42 -3.21 7.04 3.58 -1.95 -3.45 116.42 119.13 3fki h ASP 538 Ca 0.05 -0.18 -0.58 0.00 0.42 0.00 0.00 57.03 56.73 3fki h ASP 538 Cb 0.48 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.36 3fki h ASP 538 CO 0.03 0.79 -0.10 0.42 -2.88 0.00 0.00 179.24 177.50 3fki s THR 539 N -4.17 4.95 0.12 2.25 -4.23 -1.19 -5.08 115.64 108.29 3fki s THR 539 Ca -0.06 1.06 0.01 0.00 -1.18 0.00 0.00 61.69 61.52 3fki s THR 539 Cb 0.13 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 3fki s THR 539 CO 0.80 0.48 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.98 3fki s PHE 540 N -0.53 0.93 -0.01 3.99 0.40 -1.26 -3.59 117.98 117.91 3fki s PHE 540 Ca 0.27 -1.02 0.03 0.00 -0.60 0.00 0.00 56.93 55.61 3fki s PHE 540 Cb -0.17 -0.55 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 3fki s PHE 540 CO 0.15 -0.26 -0.09 0.42 0.70 0.00 0.00 175.22 176.14 3fki s ILE 541 N -3.75 0.69 0.23 0.64 1.01 0.87 -4.94 121.20 115.96 3fki s ILE 541 Ca 0.17 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.50 3fki s ILE 541 Cb 0.06 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 3fki s ILE 541 CO -0.02 0.20 0.33 -1.83 0.00 0.00 0.00 174.94 173.62 3fki s GLU 542 N -0.14 3.39 0.14 2.79 -1.05 -1.26 -1.47 118.70 121.10 3fki s GLU 542 Ca 0.02 -0.76 -0.17 0.00 -0.15 0.00 0.00 54.97 53.92 3fki s GLU 542 Cb -0.04 -2.87 0.07 0.00 -0.44 0.00 0.00 34.13 30.85 3fki s GLU 542 CO -0.00 0.44 1.09 -0.11 0.95 0.00 0.00 175.26 177.63 3fki n LEU 543 N -1.26 -0.58 -0.30 1.83 7.94 -1.26 -1.69 117.00 121.68 3fki n LEU 543 Ca -0.09 1.24 0.11 0.00 -1.11 0.00 0.00 56.01 56.16 3fki n LEU 543 Cb 0.57 -0.23 0.27 0.00 0.53 0.00 0.00 43.42 44.56 3fki n LEU 543 CO 0.45 -1.07 1.08 -2.24 -1.11 0.00 0.00 177.39 174.51 3fki h ASP 544 N 0.00 0.45 0.69 1.96 2.03 -1.99 0.10 116.42 119.66 3fki h ASP 544 Ca 0.19 0.12 -0.26 0.00 -0.73 0.00 0.00 57.03 56.35 3fki h ASP 544 Cb 0.36 0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 38.90 3fki h ASP 544 CO -0.68 0.11 -1.38 1.56 -1.03 0.00 0.00 179.24 177.82 3fki h GLN 545 N 0.52 0.06 -0.15 4.15 4.20 -1.73 -3.33 115.11 118.83 3fki h GLN 545 Ca 0.52 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 59.12 3fki h GLN 545 Cb 0.88 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3fki h GLN 545 CO -0.45 0.86 0.10 0.28 -0.67 0.00 0.00 178.83 178.95 3fki h VAL 546 N 0.02 1.06 -0.82 -0.54 2.07 -0.41 -0.87 116.25 116.76 3fki h VAL 546 Ca -0.16 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3fki h VAL 546 Cb 1.92 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 3fki h VAL 546 CO 0.12 0.06 0.38 -0.07 0.02 0.00 0.00 177.57 178.07 3fki h LEU 547 N 0.19 1.09 -0.18 2.57 3.38 -1.23 -1.07 115.31 120.07 3fki h LEU 547 Ca 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3fki h LEU 547 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3fki h LEU 547 CO -0.01 0.94 0.10 0.78 0.09 0.00 0.00 178.44 180.34 3fki h ASN 548 N 1.18 0.22 -0.31 -0.43 4.21 -1.63 -2.37 115.58 116.45 3fki h ASN 548 Ca 0.28 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 3fki h ASN 548 Cb 0.15 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 3fki h ASN 548 CO -0.03 0.22 0.16 0.24 -1.29 0.00 0.00 177.43 176.73 3fki h MET 549 N 0.19 0.48 -0.07 0.81 2.86 -0.83 -2.44 114.93 115.94 3fki h MET 549 Ca 0.06 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 3fki h MET 549 Cb 0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3fki h MET 549 CO -0.01 0.39 -0.62 -0.07 1.06 0.00 0.00 176.91 177.66 3fki h LEU 550 N 0.49 0.29 -0.47 1.22 3.38 -1.05 -3.18 115.31 115.99 3fki h LEU 550 Ca 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3fki h LEU 550 Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3fki h LEU 550 CO -0.02 0.83 -0.26 0.22 0.09 0.00 0.00 178.44 179.31 3fki h TYR 551 N 0.19 0.00 0.00 1.13 3.20 -0.97 -3.20 116.97 117.33 3fki h TYR 551 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3fki h TYR 551 Cb 1.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 3fki h TYR 551 CO 0.02 0.26 -0.20 -1.49 -1.64 0.00 0.00 178.16 175.11 3fki h TRP 552 N 0.00 0.00 -2.99 -3.82 4.06 -1.45 -3.40 115.95 108.35 3fki h TRP 552 Ca -0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 3fki h TRP 552 Cb 1.02 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.14 3fki h TRP 552 CO 0.00 0.20 0.96 0.08 -3.56 0.00 0.00 178.44 176.13 3fki s VAL 553 N -4.29 4.13 0.03 1.49 1.01 -1.21 -4.89 120.40 116.67 3fki s VAL 553 Ca -0.03 1.32 0.23 0.00 0.00 0.00 0.00 61.98 63.50 3fki s VAL 553 Cb 0.14 -4.02 0.23 0.00 0.00 0.00 0.00 36.38 32.73 3fki s VAL 553 CO 0.65 -0.31 1.76 1.55 0.00 0.00 0.00 175.10 178.76 3fki h PRO 554 N 9.02 0.00 -0.78 2.72 0.13 -1.89 -3.03 132.00 138.17 3fki h PRO 554 Ca -0.27 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.61 3fki h PRO 554 Cb 1.11 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 3fki h PRO 554 CO 1.00 0.22 0.31 -0.25 -0.23 0.00 0.00 178.00 179.06 3fki n ASP 555 N -3.31 4.80 -4.72 1.44 8.00 -1.26 -4.97 116.55 116.53 3fki n ASP 555 Ca 0.01 -3.25 -0.42 0.00 0.71 0.00 0.00 54.79 51.84 3fki n ASP 555 Cb 0.47 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3fki n ASP 555 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3fki s TRP 556 N -3.01 3.40 -1.70 1.24 -0.00 -1.15 -4.92 118.94 112.81 3fki s TRP 556 Ca 0.56 1.29 0.20 0.00 -0.00 0.00 0.00 56.10 58.15 3fki s TRP 556 Cb 0.45 -3.47 1.13 0.00 -0.00 0.00 0.00 33.47 31.57 3fki s TRP 556 CO 0.14 -1.44 1.63 -0.40 -0.00 0.00 0.00 176.95 176.88 3fki n ASP 557 N 3.39 0.00 -0.03 5.86 5.75 -1.26 -4.85 116.55 125.41 3fki n ASP 557 Ca 0.08 -0.31 -0.00 0.00 -0.01 0.00 0.00 54.79 54.54 3fki n ASP 557 Cb 0.45 -0.15 -0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3fki n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fki n GLY 558 N 0.36 0.47 3.24 6.12 0.00 -1.26 -5.01 105.19 109.12 3fki n GLY 558 Ca 0.12 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3fki n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 559 N -1.98 3.88 -0.13 1.61 1.01 -1.26 -5.07 120.40 118.46 3fki s VAL 559 Ca 0.00 -1.42 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 3fki s VAL 559 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3fki s VAL 559 CO 0.00 -0.41 1.68 0.27 0.00 0.00 0.00 175.10 176.64 3fki s ILE 560 N 1.36 3.58 0.55 2.22 -4.36 -1.26 -4.96 121.20 118.33 3fki s ILE 560 Ca 0.02 0.68 -0.20 0.00 -0.26 0.00 0.00 60.65 60.89 3fki s ILE 560 Cb -0.22 -3.52 -0.05 0.00 1.25 0.00 0.00 42.46 39.92 3fki s ILE 560 CO 0.01 -0.16 1.20 -2.84 0.24 0.00 0.00 174.94 173.39 3fki s PRO 561 N 4.46 3.25 0.20 0.37 0.02 -1.26 -4.95 135.00 137.09 3fki s PRO 561 Ca 0.75 1.81 -0.32 0.00 0.02 0.00 0.00 61.00 63.26 3fki s PRO 561 Cb -0.30 -2.09 -0.12 0.00 0.02 0.00 0.00 34.50 32.02 3fki s PRO 561 CO 0.30 -0.98 1.69 0.99 -0.33 0.00 0.00 177.00 178.68 3fki s THR 562 N -1.59 2.15 0.59 0.99 2.01 -1.26 -4.95 115.64 113.59 3fki s THR 562 Ca 0.73 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.64 3fki s THR 562 Cb -0.30 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3fki s THR 562 CO 0.34 0.01 1.26 -2.84 -0.69 0.00 0.00 174.62 172.69 3fki s PRO 563 N 1.19 2.95 0.15 4.92 0.02 -1.26 -4.94 135.00 138.03 3fki s PRO 563 Ca 0.74 1.96 -0.14 0.00 0.02 0.00 0.00 61.00 63.58 3fki s PRO 563 Cb -0.48 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.06 3fki s PRO 563 CO 0.32 -1.26 1.68 0.00 -0.33 0.00 0.00 177.00 177.41 3fki h ALA 564 N 0.99 0.64 -3.70 -1.55 0.00 -1.79 -3.40 119.26 110.45 3fki h ALA 564 Ca -0.51 -0.18 -0.63 0.00 0.00 0.00 0.00 54.91 53.60 3fki h ALA 564 Cb 1.31 -0.19 -0.38 0.00 0.00 0.00 0.00 17.79 18.53 3fki h ALA 564 CO 0.55 0.28 -0.79 0.42 0.00 0.00 0.00 179.25 179.72 3fki s ILE 565 N -5.43 1.77 0.00 0.00 1.01 -0.97 -5.02 121.20 112.55 3fki s ILE 565 Ca -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.09 3fki s ILE 565 Cb 0.11 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3fki s ILE 565 CO 0.78 -0.13 0.05 -0.38 0.00 0.00 0.00 174.94 175.26 3fki n ILE 566 N 4.57 0.00 0.00 2.92 -0.00 -1.26 -0.54 119.36 125.05 3fki n ILE 566 Ca -0.11 0.36 0.00 0.00 -0.00 0.00 0.00 62.75 63.00 3fki n ILE 566 Cb 0.43 -1.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.07 3fki n ILE 566 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 3fki n LYS 567 N -1.42 0.00 0.00 0.38 4.81 -1.26 -3.54 118.16 117.13 3fki n LYS 567 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3fki n LYS 567 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3fki n LYS 567 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3fki n PRO 568 N 1.78 0.00 -2.98 1.64 -0.05 -1.26 -4.94 135.00 129.19 3fki n PRO 568 Ca 0.00 0.01 -0.40 0.00 -0.05 0.00 0.00 63.50 63.06 3fki n PRO 568 Cb 0.00 -0.26 -0.04 0.00 -0.05 0.00 0.00 33.50 33.14 3fki n PRO 568 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 175.50 175.66 3fki s LYS 569 N -0.48 4.42 0.08 0.54 2.20 -1.25 -5.04 119.74 120.22 3fki s LYS 569 Ca 0.00 0.96 -0.31 0.00 -0.36 0.00 0.00 55.97 56.27 3fki s LYS 569 Cb 0.00 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 3fki s LYS 569 CO 0.00 -0.03 1.48 -1.25 -0.36 0.00 0.00 175.35 175.19 3fki s PRO 570 N 1.10 4.27 0.01 4.03 0.04 -1.23 -4.71 135.00 138.51 3fki s PRO 570 Ca 0.39 2.15 0.07 0.00 0.04 0.00 0.00 61.00 63.64 3fki s PRO 570 Cb -0.18 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 3fki s PRO 570 CO 0.18 -0.56 -0.20 -0.51 0.04 0.00 0.00 177.00 175.95 3fki s LEU 571 N 1.75 2.09 -0.10 -3.56 1.02 0.30 -4.46 118.68 115.73 3fki s LEU 571 Ca 0.67 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 54.43 3fki s LEU 571 Cb -0.37 -0.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.85 3fki s LEU 571 CO 0.30 0.20 -0.21 0.26 0.02 0.00 0.00 176.35 176.93 3fki s TRP 572 N -0.61 2.62 0.62 0.29 0.51 -0.54 -2.09 118.94 119.74 3fki s TRP 572 Ca 0.07 -0.86 -0.14 0.00 -2.12 0.00 0.00 56.10 53.05 3fki s TRP 572 Cb -0.08 -1.73 -0.03 0.00 -0.81 0.00 0.00 33.47 30.82 3fki s TRP 572 CO 0.00 -0.31 1.06 -1.54 -0.51 0.00 0.00 176.95 175.65 3fki s SER 573 N 0.24 5.69 0.50 2.95 1.04 -1.26 -0.09 113.70 122.77 3fki s SER 573 Ca -0.14 1.76 0.21 0.00 0.48 0.00 0.00 55.95 58.26 3fki s SER 573 Cb -0.17 -2.52 1.28 0.00 0.10 0.00 0.00 66.02 64.71 3fki s SER 573 CO 0.07 -1.23 2.07 1.23 0.98 0.00 0.00 173.24 176.36 3fki h GLY 574 N 0.15 0.00 1.76 7.32 0.00 -1.67 -2.29 103.07 108.35 3fki h GLY 574 Ca -0.46 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 3fki h GLY 574 CO 0.57 0.00 -0.74 0.50 0.00 0.00 0.00 176.54 176.87 3fki h LYS 575 N 0.00 0.23 -0.09 4.80 1.57 -1.86 -3.25 116.57 117.97 3fki h LYS 575 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3fki h LYS 575 Cb 0.26 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3fki h LYS 575 CO 0.02 0.87 0.05 1.96 -0.57 0.00 0.00 179.45 181.78 3fki h GLN 576 N 0.15 0.12 -0.04 3.15 4.20 -1.74 -2.56 115.11 118.39 3fki h GLN 576 Ca -0.03 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 3fki h GLN 576 Cb 1.30 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 3fki h GLN 576 CO 0.11 0.11 -0.57 -0.84 -0.67 0.00 0.00 178.83 176.96 3fki h ILE 577 N 0.09 1.39 0.00 2.54 3.07 -1.66 -2.92 117.51 120.03 3fki h ILE 577 Ca 0.03 -1.94 -0.09 0.00 1.55 0.00 0.00 64.86 64.41 3fki h ILE 577 Cb 0.02 2.01 -0.01 0.00 -0.27 0.00 0.00 36.82 38.56 3fki h ILE 577 CO -0.01 0.56 -0.43 0.25 -1.05 0.00 0.00 178.15 177.48 3fki h LEU 578 N 0.10 0.00 -1.89 0.16 5.85 -1.57 -2.81 115.31 115.15 3fki h LEU 578 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3fki h LEU 578 Cb 1.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3fki h LEU 578 CO 0.08 0.43 -0.12 0.28 -0.34 0.00 0.00 178.44 178.77 3fki h SER 579 N 0.00 0.00 0.43 1.25 0.02 -1.25 -2.22 113.55 111.77 3fki h SER 579 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 3fki h SER 579 Cb 0.96 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3fki h SER 579 CO 0.06 0.12 -0.51 0.58 -1.14 0.00 0.00 176.83 175.94 3fki h VAL 580 N 0.00 1.36 -0.13 2.27 2.07 -1.55 -3.07 116.25 117.21 3fki h VAL 580 Ca -0.00 -1.75 -0.17 0.00 0.82 0.00 0.00 66.70 65.60 3fki h VAL 580 Cb 0.35 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3fki h VAL 580 CO 0.02 0.51 -0.64 0.00 0.02 0.00 0.00 177.57 177.47 3fki h ALA 581 N 1.41 0.65 -2.16 1.67 0.00 -1.51 -3.43 119.26 115.89 3fki h ALA 581 Ca 0.00 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.78 3fki h ALA 581 Cb 0.93 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3fki h ALA 581 CO 0.07 0.72 0.78 0.42 0.00 0.00 0.00 179.25 181.24 3fki s ILE 582 N -3.81 4.51 0.55 0.00 1.01 -1.16 -4.89 121.20 117.42 3fki s ILE 582 Ca -0.06 1.82 -0.21 0.00 0.00 0.00 0.00 60.65 62.20 3fki s ILE 582 Cb 0.11 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3fki s ILE 582 CO 0.84 -0.11 1.27 -2.84 0.00 0.00 0.00 174.94 174.10 3fki s PRO 583 N 2.96 3.17 0.23 2.79 0.02 -1.26 -4.72 135.00 138.18 3fki s PRO 583 Ca 0.50 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 3fki s PRO 583 Cb -0.19 -2.16 -0.09 0.00 0.02 0.00 0.00 34.50 32.08 3fki s PRO 583 CO 0.13 -1.10 1.13 0.54 -0.33 0.00 0.00 177.00 177.37 3fki s ASN 584 N -1.25 7.21 0.00 2.53 4.22 -1.26 -3.92 114.94 122.47 3fki s ASN 584 Ca 0.73 2.21 0.00 0.00 -2.14 0.00 0.00 52.86 53.66 3fki s ASN 584 Cb -0.35 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.56 3fki s ASN 584 CO 0.40 -0.23 0.00 0.61 -2.04 0.00 0.00 177.10 175.84 3fki n GLY 585 N 1.69 1.47 3.89 0.45 0.00 -1.26 -4.83 105.19 106.61 3fki n GLY 585 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3fki n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fki s ILE 586 N -2.00 5.22 -0.07 -0.61 -1.09 -1.26 -4.85 121.20 116.54 3fki s ILE 586 Ca 0.00 0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 3fki s ILE 586 Cb 0.00 -3.61 0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3fki s ILE 586 CO 0.00 0.16 0.05 -2.28 -1.23 0.00 0.00 174.94 171.64 3fki s HIS 587 N -1.52 0.21 -0.21 3.97 2.46 -1.26 -1.23 115.29 117.72 3fki s HIS 587 Ca 0.36 0.07 -0.05 0.00 0.47 0.00 0.00 55.06 55.91 3fki s HIS 587 Cb -0.13 -0.58 0.08 0.00 -0.13 0.00 0.00 32.58 31.82 3fki s HIS 587 CO 0.22 -0.27 0.12 -1.17 -2.47 0.00 0.00 174.74 171.17 3fki s LEU 588 N 2.12 0.35 0.21 8.88 2.96 -0.60 -4.98 118.68 127.62 3fki s LEU 588 Ca 0.04 -0.79 0.04 0.00 -0.22 0.00 0.00 54.13 53.21 3fki s LEU 588 Cb -0.13 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.32 3fki s LEU 588 CO -0.04 -0.38 0.30 -1.10 -1.32 0.00 0.00 176.35 173.81 3fki s GLN 589 N 2.15 3.33 0.00 1.98 -0.21 -1.26 -1.68 119.66 123.96 3fki s GLN 589 Ca 0.05 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.67 3fki s GLN 589 Cb -0.16 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.00 3fki s GLN 589 CO -0.18 0.46 0.00 -2.13 -2.12 0.00 0.00 175.29 171.32 3fki n ARG 590 N -1.03 0.00 -1.35 2.91 0.63 -0.89 -4.93 116.66 112.00 3fki n ARG 590 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 3fki n ARG 590 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 3fki n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3fki n PHE 591 N -1.44 -2.75 -3.45 -0.14 3.01 -1.26 -4.95 117.46 106.48 3fki n PHE 591 Ca 0.00 1.65 -0.16 0.00 1.01 0.00 0.00 57.45 59.96 3fki n PHE 591 Cb 0.00 -2.93 -0.11 0.00 -0.01 0.00 0.00 39.48 36.42 3fki n PHE 591 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3fki s ASP 592 N -0.32 1.06 0.00 4.37 1.47 -1.26 -4.98 116.67 117.00 3fki s ASP 592 Ca 0.00 -0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.62 3fki s ASP 592 Cb 0.00 0.60 0.00 0.00 -0.34 0.00 0.00 42.92 43.18 3fki s ASP 592 CO 0.00 -0.32 0.00 -0.62 0.68 0.00 0.00 175.17 174.91 3fki n GLU 593 N 5.33 0.00 -3.34 2.11 1.02 -1.26 -3.95 120.64 120.55 3fki n GLU 593 Ca -0.05 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.65 3fki n GLU 593 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.91 3fki n GLU 593 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fki n GLY 594 N 0.00 4.26 2.88 0.62 0.00 -1.26 -4.98 105.19 106.71 3fki n GLY 594 Ca 0.00 -2.59 -0.23 0.00 0.00 0.00 0.00 46.02 43.19 3fki n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fki s THR 595 N -1.39 0.70 -0.07 2.61 2.01 -1.25 -4.51 115.64 113.74 3fki s THR 595 Ca 0.31 -0.14 0.16 0.00 0.31 0.00 0.00 61.69 62.32 3fki s THR 595 Cb -0.09 -0.75 0.32 0.00 0.01 0.00 0.00 72.50 71.99 3fki s THR 595 CO -0.07 0.29 1.14 0.35 -0.69 0.00 0.00 174.62 175.64 3fki n THR 596 N 4.60 0.86 0.00 -0.82 -2.24 -1.26 -4.91 114.28 110.51 3fki n THR 596 Ca -0.16 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 3fki n THR 596 Cb 0.50 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3fki n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3fki n LEU 597 N -0.31 0.00 0.10 3.22 4.77 -1.26 -4.18 117.00 119.34 3fki n LEU 597 Ca 0.10 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.13 3fki n LEU 597 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3fki n LEU 597 CO -0.02 0.00 0.14 -0.07 -1.33 0.00 0.00 177.39 176.10 3fki h LEU 598 N 0.00 0.00 -3.19 2.23 3.38 -1.99 -3.50 115.31 112.24 3fki h LEU 598 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fki h LEU 598 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fki h LEU 598 CO 0.00 0.34 -0.89 -1.54 0.09 0.00 0.00 178.44 176.44 3fki n SER 599 N -2.96 -6.30 0.06 -0.43 3.41 -1.26 -4.80 113.62 101.35 3fki n SER 599 Ca -0.02 0.41 0.03 0.00 -0.26 0.00 0.00 58.87 59.03 3fki n SER 599 Cb 0.70 -1.49 0.42 0.00 -0.26 0.00 0.00 64.21 63.58 3fki n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3fki h PRO 600 N 3.55 0.40 -0.22 4.33 0.13 -1.94 -1.15 132.00 137.10 3fki h PRO 600 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3fki h PRO 600 Cb 0.89 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3fki h PRO 600 CO 0.00 0.35 0.00 1.63 -0.23 0.00 0.00 178.00 179.75 3fki n LYS 601 N -4.41 2.06 -1.34 0.86 5.02 -1.26 -4.92 118.16 114.17 3fki n LYS 601 Ca 0.01 -1.59 -0.12 0.00 -2.02 0.00 0.00 58.31 54.59 3fki n LYS 601 Cb 0.14 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 3fki n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3fki n ASP 602 N 0.83 -5.33 -4.80 4.39 2.03 -0.44 -4.97 116.55 108.27 3fki n ASP 602 Ca 0.17 0.29 -0.33 0.00 0.52 0.00 0.00 54.79 55.44 3fki n ASP 602 Cb 0.46 -3.86 0.01 0.00 -0.72 0.00 0.00 41.12 37.00 3fki n ASP 602 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3fki s ASN 603 N -2.52 5.74 0.00 1.67 0.01 -1.26 -2.40 114.94 116.17 3fki s ASN 603 Ca 0.00 1.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 3fki s ASN 603 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3fki s ASN 603 CO 0.00 -1.20 0.00 0.61 -1.51 0.00 0.00 177.10 175.00 3fki n GLY 604 N -0.80 -1.76 3.52 0.66 0.00 -1.26 -4.78 105.19 100.76 3fki n GLY 604 Ca 0.09 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 3fki n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fki s MET 605 N 0.00 0.57 -0.14 1.61 1.75 -1.26 -3.93 119.30 117.90 3fki s MET 605 Ca 0.00 1.16 -0.03 0.00 -1.25 0.00 0.00 55.69 55.57 3fki s MET 605 Cb 0.00 0.28 0.05 0.00 2.84 0.00 0.00 34.83 38.00 3fki s MET 605 CO 0.00 -0.17 0.04 -1.17 -0.65 0.00 0.00 175.02 173.06 3fki s LEU 606 N 1.95 0.76 -0.09 4.11 2.96 -0.87 -2.10 118.68 125.40 3fki s LEU 606 Ca -0.08 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3fki s LEU 606 Cb -0.08 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.18 3fki s LEU 606 CO -0.17 -0.28 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.81 3fki s ILE 607 N 1.97 1.39 -0.05 6.68 1.01 -0.68 -2.03 121.20 129.48 3fki s ILE 607 Ca 0.02 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3fki s ILE 607 Cb -0.15 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.06 3fki s ILE 607 CO -0.07 0.42 -0.11 -0.63 0.00 0.00 0.00 174.94 174.55 3fki s ILE 608 N 0.88 1.03 -1.50 2.92 1.01 -0.93 -1.56 121.20 123.04 3fki s ILE 608 Ca -0.09 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 3fki s ILE 608 Cb -0.15 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.39 3fki s ILE 608 CO 0.01 0.33 0.74 -0.67 0.00 0.00 0.00 174.94 175.34 3fki n ASP 609 N 3.70 -5.99 -1.20 3.58 2.03 -0.37 -1.61 116.55 116.70 3fki n ASP 609 Ca -0.22 -0.37 -0.14 0.00 0.52 0.00 0.00 54.79 54.58 3fki n ASP 609 Cb 0.52 -4.81 -0.05 0.00 -0.72 0.00 0.00 41.12 36.06 3fki n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fki n GLY 610 N -1.61 1.02 3.14 0.27 0.00 -1.24 -3.98 105.19 102.79 3fki n GLY 610 Ca -0.08 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3fki n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fki s GLN 611 N -3.58 2.67 -0.20 1.61 -1.52 -0.63 -4.53 119.66 113.47 3fki s GLN 611 Ca 0.00 -0.74 -0.29 0.00 -1.95 0.00 0.00 55.36 52.38 3fki s GLN 611 Cb 0.00 -2.11 -0.01 0.00 -0.22 0.00 0.00 33.01 30.67 3fki s GLN 611 CO 0.00 0.06 1.34 0.42 -0.25 0.00 0.00 175.29 176.86 3fki s ILE 612 N 0.63 4.13 -0.12 1.08 1.01 -1.26 -2.18 121.20 124.49 3fki s ILE 612 Ca -0.13 1.34 -0.07 0.00 0.00 0.00 0.00 60.65 61.79 3fki s ILE 612 Cb -0.16 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 3fki s ILE 612 CO 0.03 -0.25 -0.14 0.40 0.00 0.00 0.00 174.94 174.99 3fki h ILE 613 N 5.70 0.00 -2.90 2.92 2.04 -1.78 -3.46 117.51 120.04 3fki h ILE 613 Ca -0.28 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 3fki h ILE 613 Cb 1.11 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 37.01 3fki h ILE 613 CO 0.99 0.00 -0.15 0.72 0.00 0.00 0.00 178.15 179.71 3fki s PHE 614 N -2.05 -0.27 0.00 1.37 -0.12 -1.21 -5.05 117.98 110.65 3fki s PHE 614 Ca -0.12 0.36 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 3fki s PHE 614 Cb 0.02 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 3fki s PHE 614 CO 0.17 -0.49 0.00 0.41 -0.05 0.00 0.00 175.22 175.27 3fki n GLY 615 N 0.93 4.10 3.64 1.99 0.00 -1.26 -2.05 105.19 112.54 3fki n GLY 615 Ca -0.20 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 3fki n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 616 N -0.54 4.26 -0.33 1.61 1.01 -1.01 -4.97 120.40 120.42 3fki s VAL 616 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 3fki s VAL 616 Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.20 3fki s VAL 616 CO 0.00 -0.43 1.06 -0.69 0.00 0.00 0.00 175.10 175.04 3fki s VAL 617 N 4.06 4.50 0.00 2.92 1.01 -1.26 -4.89 120.40 126.74 3fki s VAL 617 Ca 0.53 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.16 3fki s VAL 617 Cb -0.16 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3fki s VAL 617 CO 0.20 -0.51 0.00 -0.62 0.00 0.00 0.00 175.10 174.17 3fki n GLU 618 N 6.90 0.00 -0.25 2.72 1.02 -1.26 -3.32 120.64 126.45 3fki n GLU 618 Ca 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.19 3fki n GLU 618 Cb 0.47 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.94 3fki n GLU 618 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3fki h LYS 619 N 0.00 1.03 -0.61 3.49 3.64 -1.85 -0.11 116.57 122.15 3fki h LYS 619 Ca 0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3fki h LYS 619 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3fki h LYS 619 CO 0.00 0.84 0.00 1.63 -2.27 0.00 0.00 179.45 179.65 3fki n LYS 620 N -4.39 1.32 0.09 1.90 5.02 -1.26 -2.01 118.16 118.83 3fki n LYS 620 Ca 0.05 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 3fki n LYS 620 Cb 0.16 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3fki n LYS 620 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3fki n THR 621 N -0.07 0.48 -0.04 -0.18 -1.04 -1.00 -4.81 114.28 107.63 3fki n THR 621 Ca 0.03 0.16 0.11 0.00 -2.04 0.00 0.00 64.05 62.31 3fki n THR 621 Cb 0.24 -0.92 0.25 0.00 -1.82 0.00 0.00 70.33 68.08 3fki n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3fki n VAL 622 N -3.38 0.75 -1.75 12.58 3.14 -0.09 0.37 118.33 129.96 3fki n VAL 622 Ca 0.00 -0.88 0.00 0.00 -2.96 0.00 0.00 64.34 60.50 3fki n VAL 622 Cb 0.00 0.74 0.00 0.00 -1.06 0.00 0.00 33.84 33.52 3fki n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fki n GLY 623 N 1.44 1.08 1.80 7.55 0.00 -0.85 -3.50 105.19 112.71 3fki n GLY 623 Ca 0.20 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 3fki n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fki n SER 624 N -1.05 6.00 -4.85 1.61 3.41 -1.26 -4.63 113.62 112.85 3fki n SER 624 Ca 0.00 -2.94 -0.29 0.00 -0.26 0.00 0.00 58.87 55.38 3fki n SER 624 Cb 0.00 -1.02 0.11 0.00 -0.26 0.00 0.00 64.21 63.03 3fki n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fki s SER 625 N 0.40 4.13 0.02 4.04 1.04 -1.26 -4.61 113.70 117.46 3fki s SER 625 Ca 0.26 0.88 -0.28 0.00 0.48 0.00 0.00 55.95 57.29 3fki s SER 625 Cb 0.21 -1.42 -0.16 0.00 0.10 0.00 0.00 66.02 64.75 3fki s SER 625 CO 0.00 -2.15 1.26 -1.13 0.98 0.00 0.00 173.24 172.20 3fki h ASN 626 N -1.23 -0.65 -1.08 7.02 -1.24 -1.95 -3.18 115.58 113.28 3fki h ASN 626 Ca -0.48 -0.04 -0.66 0.00 0.71 0.00 0.00 56.30 55.83 3fki h ASN 626 Cb 1.33 0.17 -0.27 0.00 0.73 0.00 0.00 38.32 40.27 3fki h ASN 626 CO 0.64 -0.31 0.86 0.61 -1.29 0.00 0.00 177.43 177.95 3fki n GLY 627 N -0.72 5.69 3.82 1.57 0.00 -1.26 -4.85 105.19 109.44 3fki n GLY 627 Ca -0.11 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.38 3fki n GLY 627 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fki s GLY 628 N -1.56 1.60 0.25 -0.02 0.00 -1.20 -4.92 107.32 101.46 3fki s GLY 628 Ca 0.61 -0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 3fki s GLY 628 CO -0.06 0.05 1.85 -2.00 0.00 0.00 0.00 173.10 172.95 3fki h LEU 629 N -1.20 1.05 0.29 0.66 6.46 -0.36 -2.70 115.31 119.51 3fki h LEU 629 Ca -0.48 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.15 3fki h LEU 629 Cb 1.30 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 3fki h LEU 629 CO 0.62 0.87 -0.14 0.40 -0.62 0.00 0.00 178.44 179.57 3fki h ILE 630 N 1.16 0.74 -0.73 4.05 2.04 -1.82 -2.38 117.51 120.57 3fki h ILE 630 Ca 0.28 -0.19 0.16 0.00 1.00 0.00 0.00 64.86 66.11 3fki h ILE 630 Cb 0.08 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 36.90 3fki h ILE 630 CO -0.04 0.04 0.12 -0.74 0.00 0.00 0.00 178.15 177.53 3fki h HIS 631 N -0.49 0.17 0.26 1.37 2.76 -1.83 -0.55 115.15 116.84 3fki h HIS 631 Ca -0.04 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3fki h HIS 631 Cb 0.37 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.37 3fki h HIS 631 CO -0.03 -0.13 -0.13 0.28 -1.30 0.00 0.00 177.93 176.62 3fki h VAL 632 N 0.21 0.78 -0.49 5.26 2.07 -1.41 -3.27 116.25 119.40 3fki h VAL 632 Ca 0.41 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3fki h VAL 632 Cb 0.70 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3fki h VAL 632 CO -0.55 0.12 0.06 0.58 0.02 0.00 0.00 177.57 177.80 3fki h VAL 633 N -0.67 1.23 -0.98 2.57 2.07 -1.11 -2.01 116.25 117.35 3fki h VAL 633 Ca -0.04 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3fki h VAL 633 Cb 0.47 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3fki h VAL 633 CO 0.06 0.32 0.64 0.74 0.02 0.00 0.00 177.57 179.35 3fki h THR 634 N 0.75 1.10 0.02 2.57 2.02 -1.16 -1.69 112.91 116.52 3fki h THR 634 Ca 0.16 -0.40 -0.28 0.00 0.77 0.00 0.00 66.41 66.65 3fki h THR 634 Cb 0.37 -0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 3fki h THR 634 CO 0.01 0.21 -1.56 0.54 0.37 0.00 0.00 175.52 175.10 3fki n ARG 635 N -4.49 0.61 0.06 6.66 1.74 -1.16 -2.88 116.66 117.20 3fki n ARG 635 Ca 0.15 0.48 -0.02 0.00 -0.77 0.00 0.00 57.85 57.68 3fki n ARG 635 Cb 0.17 -1.71 0.23 0.00 -1.02 0.00 0.00 32.46 30.13 3fki n ARG 635 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3fki h GLU 636 N -0.78 0.35 0.00 5.56 4.57 -1.40 -3.33 114.58 119.54 3fki h GLU 636 Ca -0.41 -0.14 -0.26 0.00 -1.18 0.00 0.00 59.36 57.38 3fki h GLU 636 Cb 1.48 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.01 3fki h GLU 636 CO -0.18 0.64 -1.97 1.63 -1.18 0.00 0.00 179.01 177.95 3fki n LYS 637 N -4.09 1.02 0.00 1.92 4.76 -0.65 -5.08 118.16 116.04 3fki n LYS 637 Ca -0.01 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3fki n LYS 637 Cb 0.43 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 3fki n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fki n GLY 638 N 2.45 3.39 0.29 0.72 0.00 -1.12 -4.77 105.19 106.15 3fki n GLY 638 Ca -0.27 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 3fki n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fki h PRO 639 N 0.00 1.02 0.00 1.61 0.13 -1.84 -2.68 132.00 130.24 3fki h PRO 639 Ca 0.00 -0.29 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 3fki h PRO 639 Cb 0.00 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 3fki h PRO 639 CO 0.00 0.98 -0.48 1.96 -0.23 0.00 0.00 178.00 180.22 3fki h GLN 640 N 0.92 0.00 -0.19 0.86 1.08 -1.92 -0.05 115.11 115.81 3fki h GLN 640 Ca 0.18 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.20 3fki h GLN 640 Cb 0.47 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3fki h GLN 640 CO 0.02 0.48 -0.62 0.28 -0.95 0.00 0.00 178.83 178.04 3fki h VAL 641 N 0.00 1.31 -0.02 -0.54 2.07 -1.84 -2.55 116.25 114.67 3fki h VAL 641 Ca -0.00 -1.86 -0.15 0.00 0.82 0.00 0.00 66.70 65.51 3fki h VAL 641 Cb 1.04 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3fki h VAL 641 CO 0.06 0.59 -0.66 0.00 0.02 0.00 0.00 177.57 177.58 3fki h ALA 643 N 1.26 0.74 -0.57 0.00 0.00 -0.90 -1.26 119.26 118.54 3fki h ALA 643 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3fki h ALA 643 Cb 1.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3fki h ALA 643 CO 0.09 0.27 0.04 0.87 0.00 0.00 0.00 179.25 180.53 3fki h LYS 644 N 0.78 0.97 -0.60 0.00 1.57 -1.43 -3.21 116.57 114.66 3fki h LYS 644 Ca 0.20 -0.29 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3fki h LYS 644 Cb 0.06 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 3fki h LYS 644 CO -0.03 0.95 0.30 1.25 -0.57 0.00 0.00 179.45 181.35 3fki h LEU 645 N 0.86 0.42 -0.59 2.94 5.85 -0.81 0.67 115.31 124.66 3fki h LEU 645 Ca 0.17 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.98 3fki h LEU 645 Cb 0.48 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3fki h LEU 645 CO 0.02 0.27 0.31 -0.26 -0.34 0.00 0.00 178.44 178.44 3fki h PHE 646 N 0.56 0.56 -0.25 1.25 -1.00 -1.27 -0.36 116.94 116.42 3fki h PHE 646 Ca 0.28 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.95 3fki h PHE 646 Cb 0.21 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 3fki h PHE 646 CO -0.10 0.26 -0.35 0.78 -1.61 0.00 0.00 178.31 177.28 3fki h GLY 647 N 0.58 0.74 0.97 -1.45 0.00 -1.33 -2.84 103.07 99.75 3fki h GLY 647 Ca 0.27 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 3fki h GLY 647 CO -0.18 0.74 0.22 3.43 0.00 0.00 0.00 176.54 180.74 3fki h ASN 648 N 0.40 0.49 -0.44 0.19 2.35 0.63 -0.09 115.58 119.12 3fki h ASN 648 Ca 0.03 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3fki h ASN 648 Cb 0.94 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3fki h ASN 648 CO 0.08 0.43 0.08 0.40 -1.65 0.00 0.00 177.43 176.77 3fki h ILE 649 N 0.51 1.24 0.23 2.81 2.04 -1.17 -3.04 117.51 120.13 3fki h ILE 649 Ca 0.14 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3fki h ILE 649 Cb 0.05 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3fki h ILE 649 CO -0.02 0.30 -0.12 1.56 0.00 0.00 0.00 178.15 179.87 3fki h GLN 650 N 0.59 -0.31 -0.71 2.37 4.20 -1.28 -2.32 115.11 117.64 3fki h GLN 650 Ca 0.14 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.91 3fki h GLN 650 Cb 0.36 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3fki h GLN 650 CO 0.01 -0.21 0.47 0.87 -0.67 0.00 0.00 178.83 179.30 3fki h LYS 651 N -0.33 0.78 0.11 1.46 1.57 -1.03 -0.58 116.57 118.56 3fki h LYS 651 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3fki h LYS 651 Cb 0.26 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3fki h LYS 651 CO 0.04 0.52 -0.05 0.28 -0.57 0.00 0.00 179.45 179.67 3fki h VAL 652 N 0.81 0.80 -0.11 0.50 2.07 -1.50 -3.17 116.25 115.65 3fki h VAL 652 Ca 0.29 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.50 3fki h VAL 652 Cb 0.14 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3fki h VAL 652 CO -0.09 0.24 0.05 0.58 0.02 0.00 0.00 177.57 178.37 3fki h VAL 653 N -0.94 1.00 -0.97 2.57 2.07 -1.30 -1.94 116.25 116.74 3fki h VAL 653 Ca -0.01 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.56 3fki h VAL 653 Cb 0.50 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3fki h VAL 653 CO 0.02 0.02 0.61 0.78 0.02 0.00 0.00 177.57 179.03 3fki h ASN 654 N 0.12 0.93 -0.53 0.57 2.35 -1.27 0.16 115.58 117.91 3fki h ASN 654 Ca 0.04 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3fki h ASN 654 Cb 0.01 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3fki h ASN 654 CO -0.03 0.55 0.04 0.15 -1.65 0.00 0.00 177.43 176.48 3fki h PHE 655 N 1.04 0.98 -0.20 1.19 3.57 -1.45 -1.61 116.94 120.45 3fki h PHE 655 Ca 0.45 -0.16 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 3fki h PHE 655 Cb 0.33 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 3fki h PHE 655 CO -0.01 0.89 -0.24 2.35 -2.23 0.00 0.00 178.31 179.07 3fki h TRP 656 N 0.78 0.63 -0.29 0.41 7.01 -0.69 -3.06 115.95 120.75 3fki h TRP 656 Ca 0.15 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 3fki h TRP 656 Cb 0.48 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 3fki h TRP 656 CO 0.04 0.89 0.12 1.25 -2.79 0.00 0.00 178.44 177.94 3fki h LEU 657 N 0.19 0.35 -0.93 0.65 5.85 -0.70 0.84 115.31 121.56 3fki h LEU 657 Ca 0.03 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3fki h LEU 657 Cb 0.81 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3fki h LEU 657 CO 0.06 0.33 0.36 0.25 -0.34 0.00 0.00 178.44 179.10 3fki h LEU 658 N 0.40 1.03 0.00 2.25 5.85 -1.23 0.19 115.31 123.80 3fki h LEU 658 Ca 0.10 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3fki h LEU 658 Cb 0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3fki h LEU 658 CO -0.01 0.88 -1.22 0.45 -0.34 0.00 0.00 178.44 178.20 3fki h HIS 659 N 1.12 0.00 0.14 1.25 3.86 -1.29 -3.35 115.15 116.89 3fki h HIS 659 Ca 0.27 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.28 3fki h HIS 659 Cb 0.13 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.62 3fki h HIS 659 CO 0.01 0.36 -0.88 -0.97 0.86 0.00 0.00 177.93 177.31 3fki h ASN 660 N 0.00 0.48 -3.87 2.45 -1.24 -0.80 -3.51 115.58 109.08 3fki h ASN 660 Ca -0.10 -0.95 0.00 0.00 0.71 0.00 0.00 56.30 55.97 3fki h ASN 660 Cb 1.36 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.26 3fki h ASN 660 CO 0.03 1.42 0.00 0.61 -1.29 0.00 0.00 177.43 178.20 3fki n GLY 661 N 1.68 -2.61 3.48 1.57 0.00 0.65 -5.07 105.19 104.89 3fki n GLY 661 Ca -0.15 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 3fki n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fki s PHE 662 N -2.66 -0.61 0.34 1.61 5.36 -1.26 -5.03 117.98 115.72 3fki s PHE 662 Ca 0.00 1.39 -0.12 0.00 -0.96 0.00 0.00 56.93 57.24 3fki s PHE 662 Cb 0.00 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.95 3fki s PHE 662 CO 0.00 -0.38 0.63 -1.54 -1.46 0.00 0.00 175.22 172.47 3fki s SER 663 N -0.12 0.25 0.01 6.13 1.04 -1.26 -5.17 113.70 114.58 3fki s SER 663 Ca -0.03 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.25 3fki s SER 663 Cb -0.03 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 3fki s SER 663 CO 0.03 -1.43 -0.05 0.42 0.98 0.00 0.00 173.24 173.19 3fki s THR 664 N -3.03 0.36 0.11 2.02 -4.23 -1.26 -4.78 115.64 104.83 3fki s THR 664 Ca 0.21 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 3fki s THR 664 Cb -0.03 -0.37 -0.01 0.00 1.34 0.00 0.00 72.50 73.43 3fki s THR 664 CO 0.13 -0.12 0.07 0.61 -0.54 0.00 0.00 174.62 174.78 3fki n GLY 665 N 2.37 3.75 0.22 3.99 0.00 -1.26 -5.04 105.19 109.22 3fki n GLY 665 Ca -0.17 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.10 3fki n GLY 665 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3fki h ILE 666 N 1.28 0.79 0.00 -0.61 -0.00 -2.03 -3.03 117.51 113.91 3fki h ILE 666 Ca -0.08 -1.01 -0.00 0.00 -0.00 0.00 0.00 64.86 63.76 3fki h ILE 666 Cb 0.37 1.62 -0.00 0.00 -0.00 0.00 0.00 36.82 38.81 3fki h ILE 666 CO 0.13 0.24 -0.01 1.23 -0.00 0.00 0.00 178.15 179.74 3fki h GLY 667 N 1.38 0.00 0.24 0.16 0.00 -1.96 -2.06 103.07 100.83 3fki h GLY 667 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fki h GLY 667 CO 0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.79 3fki n ASP 668 N -3.15 0.00 -0.04 0.19 8.00 -1.15 -3.32 116.55 117.08 3fki n ASP 668 Ca -0.02 -1.46 -0.06 0.00 0.71 0.00 0.00 54.79 53.97 3fki n ASP 668 Cb 0.18 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 3fki n ASP 668 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fki n THR 669 N -0.62 0.53 -2.42 -3.53 -1.04 -0.78 -4.81 114.28 101.61 3fki n THR 669 Ca 0.05 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 3fki n THR 669 Cb 0.02 -0.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.69 3fki n THR 669 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3fki s ILE 670 N -2.18 4.11 0.00 12.58 1.01 -1.21 -4.47 121.20 131.04 3fki s ILE 670 Ca -0.10 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.78 3fki s ILE 670 Cb 0.03 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3fki s ILE 670 CO 0.24 -0.56 0.11 0.00 0.00 0.00 0.00 174.94 174.73 3fki n ALA 671 N 7.85 -0.03 -3.63 9.38 0.00 -1.26 -4.99 120.51 127.83 3fki n ALA 671 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 3fki n ALA 671 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 3fki n ALA 671 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fki s ASP 672 N -1.77 -0.43 0.01 0.00 2.15 -1.26 -4.88 116.67 110.49 3fki s ASP 672 Ca 0.00 0.79 -0.04 0.00 0.43 0.00 0.00 52.55 53.73 3fki s ASP 672 Cb 0.00 0.78 -0.01 0.00 -0.30 0.00 0.00 42.92 43.39 3fki s ASP 672 CO 0.00 -0.18 1.07 1.23 -0.17 0.00 0.00 175.17 177.12 3fki h GLY 673 N 3.94 -1.69 0.16 2.66 0.00 -1.99 0.21 103.07 106.37 3fki h GLY 673 Ca -0.27 0.75 0.25 0.00 0.00 0.00 0.00 47.33 48.06 3fki h GLY 673 CO 0.14 -0.61 0.64 -2.55 0.00 0.00 0.00 176.54 174.16 3fki h PRO 674 N -0.06 0.20 0.05 4.80 0.11 -1.98 -0.69 132.00 134.42 3fki h PRO 674 Ca 0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3fki h PRO 674 Cb 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3fki h PRO 674 CO -0.06 0.13 -0.02 1.15 -0.21 0.00 0.00 178.00 178.99 3fki h THR 675 N 0.20 1.30 -0.14 -1.15 2.02 -1.78 -0.07 112.91 113.29 3fki h THR 675 Ca 0.47 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3fki h THR 675 Cb 1.52 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 70.03 3fki h THR 675 CO -0.11 0.31 0.09 0.24 0.37 0.00 0.00 175.52 176.42 3fki h MET 676 N -0.63 0.14 -0.27 6.66 2.86 -0.19 0.24 114.93 123.73 3fki h MET 676 Ca -0.01 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3fki h MET 676 Cb 0.55 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 3fki h MET 676 CO 0.01 0.09 -0.26 -0.09 1.06 0.00 0.00 176.91 177.73 3fki h ARG 677 N 0.14 0.66 0.00 1.72 2.43 -1.09 -2.64 114.38 115.60 3fki h ARG 677 Ca 0.05 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 58.77 3fki h ARG 677 Cb 0.05 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3fki h ARG 677 CO -0.01 0.95 -0.57 1.49 -1.51 0.00 0.00 179.97 180.32 3fki h GLU 678 N 0.39 0.00 -0.22 0.20 4.81 0.21 -2.93 114.58 117.04 3fki h GLU 678 Ca 0.05 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3fki h GLU 678 Cb 0.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3fki h GLU 678 CO 0.06 0.57 -0.53 0.82 -0.73 0.00 0.00 179.01 179.20 3fki h ILE 679 N 0.00 1.31 -0.66 2.32 2.04 -0.61 -2.67 117.51 119.24 3fki h ILE 679 Ca -0.01 -1.75 0.05 0.00 1.00 0.00 0.00 64.86 64.15 3fki h ILE 679 Cb 1.12 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 3fki h ILE 679 CO 0.07 0.55 0.38 0.74 0.00 0.00 0.00 178.15 179.89 3fki h THR 680 N 0.48 1.00 0.00 -0.27 2.02 -1.28 -1.88 112.91 112.98 3fki h THR 680 Ca 0.01 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 3fki h THR 680 Cb 1.08 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3fki h THR 680 CO 0.10 0.13 -0.26 1.05 0.37 0.00 0.00 175.52 176.92 3fki h GLU 681 N 0.71 0.00 -0.43 6.66 4.11 -1.58 -2.47 114.58 121.58 3fki h GLU 681 Ca 0.29 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.63 3fki h GLU 681 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3fki h GLU 681 CO -0.16 0.26 -0.08 1.15 0.07 0.00 0.00 179.01 180.25 3fki h THR 682 N 0.00 1.27 0.00 -1.06 2.02 -1.00 -0.74 112.91 113.40 3fki h THR 682 Ca -0.00 -1.17 -0.14 0.00 0.77 0.00 0.00 66.41 65.87 3fki h THR 682 Cb 1.10 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3fki h THR 682 CO 0.03 0.40 -0.68 0.40 0.37 0.00 0.00 175.52 176.04 3fki h ILE 683 N 0.65 1.41 -0.30 3.11 2.04 -1.41 -3.03 117.51 119.97 3fki h ILE 683 Ca 0.11 -2.38 -0.13 0.00 1.00 0.00 0.00 64.86 63.46 3fki h ILE 683 Cb 0.60 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3fki h ILE 683 CO 0.04 0.66 -0.35 0.00 0.00 0.00 0.00 178.15 178.50 3fki h ALA 684 N 1.32 0.81 0.00 1.87 0.00 -1.17 -2.44 119.26 119.65 3fki h ALA 684 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fki h ALA 684 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3fki h ALA 684 CO 0.09 0.65 0.00 1.05 0.00 0.00 0.00 179.25 181.03 3fki h GLU 685 N 0.57 0.00 -0.20 0.00 4.11 -1.18 -2.77 114.58 115.10 3fki h GLU 685 Ca 0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.35 3fki h GLU 685 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3fki h GLU 685 CO 0.08 0.00 -0.46 0.00 0.07 0.00 0.00 179.01 178.70 3fki h ALA 686 N 2.01 0.83 -0.48 1.06 0.00 -1.38 -2.09 119.26 119.22 3fki h ALA 686 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3fki h ALA 686 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3fki h ALA 686 CO 0.00 0.66 -0.04 0.87 0.00 0.00 0.00 179.25 180.74 3fki h LYS 687 N 0.41 0.81 -0.52 0.00 1.57 -1.28 -2.68 116.57 114.89 3fki h LYS 687 Ca 0.03 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3fki h LYS 687 Cb 0.96 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3fki h LYS 687 CO 0.08 0.84 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.57 3fki h LYS 688 N 0.75 0.89 -0.27 3.15 1.63 -1.25 0.27 116.57 121.74 3fki h LYS 688 Ca 0.14 -0.27 -0.12 0.00 -0.85 0.00 0.00 60.65 59.56 3fki h LYS 688 Cb 0.51 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 3fki h LYS 688 CO 0.03 0.90 -0.32 -0.22 -3.45 0.00 0.00 179.45 176.39 3fki h LYS 689 N 0.82 0.57 -0.14 1.90 3.64 -1.30 0.25 116.57 122.31 3fki h LYS 689 Ca 0.15 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 3fki h LYS 689 Cb 0.52 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3fki h LYS 689 CO 0.03 0.82 -0.37 0.28 -2.27 0.00 0.00 179.45 177.93 3fki h VAL 690 N 0.48 1.36 -0.68 2.00 2.07 -1.20 -2.69 116.25 117.59 3fki h VAL 690 Ca 0.06 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 3fki h VAL 690 Cb 0.79 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 3fki h VAL 690 CO 0.06 0.50 0.39 0.25 0.02 0.00 0.00 177.57 178.79 3fki h LEU 691 N 0.12 0.83 -0.70 2.57 5.85 -0.33 0.47 115.31 124.11 3fki h LEU 691 Ca -0.01 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3fki h LEU 691 Cb 0.99 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3fki h LEU 691 CO 0.08 0.66 -0.08 0.44 -0.34 0.00 0.00 178.44 179.20 3fki h ASP 692 N 0.94 0.91 -0.19 1.25 3.45 -0.99 -2.80 116.42 119.00 3fki h ASP 692 Ca 0.24 -0.27 -0.20 0.00 0.43 0.00 0.00 57.03 57.23 3fki h ASP 692 Cb 0.00 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.53 3fki h ASP 692 CO -0.04 1.01 -0.66 0.58 -1.57 0.00 0.00 179.24 178.56 3fki h VAL 693 N 0.83 1.28 0.26 -1.35 2.07 -1.00 -2.73 116.25 115.61 3fki h VAL 693 Ca 0.14 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.81 3fki h VAL 693 Cb 0.60 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3fki h VAL 693 CO 0.04 0.60 -0.30 0.74 0.02 0.00 0.00 177.57 178.67 3fki h THR 694 N 0.59 0.37 -0.06 2.57 2.02 -0.03 0.30 112.91 118.68 3fki h THR 694 Ca -0.02 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3fki h THR 694 Cb 1.27 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3fki h THR 694 CO 0.14 0.00 -0.35 0.11 0.37 0.00 0.00 175.52 175.79 3fki h LYS 695 N -0.60 0.11 -0.06 6.66 1.79 -1.61 0.18 116.57 123.04 3fki h LYS 695 Ca -0.00 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.27 3fki h LYS 695 Cb 0.56 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 3fki h LYS 695 CO -0.08 0.45 -0.63 1.49 -1.08 0.00 0.00 179.45 179.59 3fki h GLU 696 N 0.10 0.23 0.00 3.15 4.81 -1.14 -3.04 114.58 118.68 3fki h GLU 696 Ca 0.01 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 3fki h GLU 696 Cb 0.67 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3fki h GLU 696 CO 0.05 0.79 -0.95 0.00 -0.73 0.00 0.00 179.01 178.17 3fki h ALA 697 N 1.17 0.66 0.00 2.92 0.00 -0.11 -3.25 119.26 120.64 3fki h ALA 697 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3fki h ALA 697 Cb 1.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fki h ALA 697 CO 0.10 0.59 0.00 1.04 0.00 0.00 0.00 179.25 180.98 3fki n GLN 698 N -2.97 0.04 -4.07 0.00 6.02 0.59 -4.41 117.38 112.58 3fki n GLN 698 Ca -0.03 0.24 -0.33 0.00 -0.01 0.00 0.00 57.00 56.86 3fki n GLN 698 Cb 0.73 -1.56 -0.07 0.00 1.02 0.00 0.00 30.24 30.36 3fki n GLN 698 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fki s ALA 699 N -3.05 3.65 -0.31 -1.58 0.00 -1.16 -5.00 121.76 114.30 3fki s ALA 699 Ca 0.08 -0.85 0.15 0.00 0.00 0.00 0.00 51.96 51.34 3fki s ALA 699 Cb 0.11 -1.63 0.83 0.00 0.00 0.00 0.00 23.12 22.42 3fki s ALA 699 CO 0.33 0.70 1.43 -1.71 0.00 0.00 0.00 175.76 176.51 3fki n ASN 700 N 1.16 0.39 -4.58 0.00 4.05 -1.26 -4.26 115.26 110.76 3fki n ASN 700 Ca -0.13 0.65 -0.29 0.00 0.45 0.00 0.00 54.58 55.27 3fki n ASN 700 Cb 0.53 -0.69 -0.06 0.00 1.23 0.00 0.00 39.78 40.79 3fki n ASN 700 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3fki s LEU 701 N -4.07 3.10 -0.24 1.20 1.98 -1.26 -4.78 118.68 114.61 3fki s LEU 701 Ca -0.02 -1.58 -0.05 0.00 -2.89 0.00 0.00 54.13 49.59 3fki s LEU 701 Cb 0.04 -2.59 0.12 0.00 0.66 0.00 0.00 46.19 44.43 3fki s LEU 701 CO 0.14 -2.94 0.45 -0.22 -1.89 0.00 0.00 176.35 171.89 3fki s LEU 702 N 10.55 -0.79 0.24 -0.68 1.98 -1.26 -4.60 118.68 124.12 3fki s LEU 702 Ca 0.68 0.77 -0.04 0.00 -2.89 0.00 0.00 54.13 52.65 3fki s LEU 702 Cb -0.01 1.48 0.43 0.00 0.66 0.00 0.00 46.19 48.74 3fki s LEU 702 CO 0.11 -0.26 1.78 0.74 -1.89 0.00 0.00 176.35 176.83 3fki h THR 703 N 6.14 0.80 -2.84 3.68 2.02 -1.98 -3.48 112.91 117.25 3fki h THR 703 Ca -0.18 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3fki h THR 703 Cb 1.13 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3fki h THR 703 CO 0.19 0.12 -0.63 0.00 0.37 0.00 0.00 175.52 175.57 3fki n ALA 704 N -2.42 -2.37 -1.77 6.16 0.00 -1.26 -4.93 120.51 113.92 3fki n ALA 704 Ca 0.14 0.31 -0.40 0.00 0.00 0.00 0.00 53.44 53.49 3fki n ALA 704 Cb 0.34 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.67 3fki n ALA 704 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3fki s LYS 705 N -2.38 3.82 0.08 0.00 -0.14 -1.26 -4.95 119.74 114.91 3fki s LYS 705 Ca 0.00 2.44 -0.31 0.00 -1.36 0.00 0.00 55.97 56.74 3fki s LYS 705 Cb 0.00 -2.75 -0.07 0.00 -1.68 0.00 0.00 37.83 33.34 3fki s LYS 705 CO 0.00 -0.72 1.30 -1.58 -0.76 0.00 0.00 175.35 173.59 3fki s HIS 706 N -1.18 3.31 0.00 3.18 5.65 -1.26 -4.65 115.29 120.34 3fki s HIS 706 Ca 0.58 1.11 0.00 0.00 0.25 0.00 0.00 55.06 57.01 3fki s HIS 706 Cb -0.44 -3.55 0.00 0.00 -1.18 0.00 0.00 32.58 27.41 3fki s HIS 706 CO 0.58 -1.85 0.00 0.41 -0.65 0.00 0.00 174.74 173.23 3fki n GLY 707 N 3.37 -1.76 0.00 1.59 0.00 -1.26 -4.99 105.19 102.13 3fki n GLY 707 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3fki n GLY 707 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fki n MET 708 N 0.00 0.00 -3.81 1.61 2.00 -1.26 -4.79 117.12 110.86 3fki n MET 708 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 3fki n MET 708 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 3fki n MET 708 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3fki s THR 709 N 0.00 5.29 0.16 2.03 2.01 -1.26 -4.93 115.64 118.93 3fki s THR 709 Ca 0.00 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 3fki s THR 709 Cb 0.00 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.88 3fki s THR 709 CO 0.00 0.04 1.82 -0.07 -0.69 0.00 0.00 174.62 175.72 3fki h LEU 710 N 2.75 0.50 -0.57 4.42 4.07 -1.99 0.24 115.31 124.74 3fki h LEU 710 Ca -0.46 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.33 3fki h LEU 710 Cb 1.17 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 3fki h LEU 710 CO 0.73 0.37 -0.57 0.03 -1.08 0.00 0.00 178.44 177.92 3fki h ARG 711 N 0.59 0.45 -0.10 1.13 3.08 -2.00 -2.68 114.38 114.85 3fki h ARG 711 Ca 0.16 -0.29 -0.18 0.00 0.07 0.00 0.00 59.98 59.74 3fki h ARG 711 Cb -0.06 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3fki h ARG 711 CO -0.03 0.89 -0.68 0.93 -1.07 0.00 0.00 179.97 180.01 3fki h GLU 712 N 0.34 0.42 -0.20 0.04 5.08 -1.89 -2.98 114.58 115.39 3fki h GLU 712 Ca 0.00 -0.32 -0.20 0.00 -1.00 0.00 0.00 59.36 57.84 3fki h GLU 712 Cb 1.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3fki h GLU 712 CO 0.10 0.95 -0.67 1.03 -1.00 0.00 0.00 179.01 179.43 3fki h SER 713 N 0.30 0.88 -0.48 1.42 0.87 -0.55 -2.54 113.55 113.46 3fki h SER 713 Ca -0.02 -0.53 0.06 0.00 -1.23 0.00 0.00 61.79 60.07 3fki h SER 713 Cb 1.25 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.90 3fki h SER 713 CO 0.12 1.31 0.18 0.15 -0.53 0.00 0.00 176.83 178.06 3fki h PHE 714 N 0.55 0.32 -0.63 2.24 3.57 -1.50 -2.37 116.94 119.13 3fki h PHE 714 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3fki h PHE 714 Cb 1.28 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3fki h PHE 714 CO 0.07 0.12 0.32 0.93 -2.23 0.00 0.00 178.31 177.52 3fki h GLU 715 N 0.36 0.89 -0.76 1.11 4.39 -1.51 -2.75 114.58 116.30 3fki h GLU 715 Ca 0.22 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.85 3fki h GLU 715 Cb 0.22 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3fki h GLU 715 CO -0.22 0.69 0.50 0.22 -1.16 0.00 0.00 179.01 179.04 3fki h ASP 716 N 0.86 0.79 0.01 1.42 1.82 -0.99 -1.56 116.42 118.76 3fki h ASP 716 Ca 0.22 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3fki h ASP 716 Cb 0.08 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.91 3fki h ASP 716 CO -0.03 0.53 -0.00 0.78 -1.61 0.00 0.00 179.24 178.91 3fki h ASN 717 N 0.91 -0.01 -0.54 2.28 2.35 -1.34 -2.82 115.58 116.40 3fki h ASN 717 Ca 0.31 -0.57 0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3fki h ASN 717 Cb 0.09 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3fki h ASN 717 CO -0.09 0.57 0.31 0.58 -1.65 0.00 0.00 177.43 177.14 3fki h VAL 718 N -0.60 1.02 -0.79 2.81 2.07 -1.20 0.35 116.25 119.91 3fki h VAL 718 Ca -0.00 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3fki h VAL 718 Cb 0.58 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3fki h VAL 718 CO 0.00 0.11 0.34 0.58 0.02 0.00 0.00 177.57 178.62 3fki h VAL 719 N 0.60 1.26 0.00 2.57 2.07 -1.42 -0.84 116.25 120.49 3fki h VAL 719 Ca 0.23 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3fki h VAL 719 Cb 0.08 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3fki h VAL 719 CO -0.12 0.32 0.00 -0.09 0.02 0.00 0.00 177.57 177.70 3fki h ARG 720 N 1.14 0.00 0.00 1.57 2.43 -1.03 -2.42 114.38 116.07 3fki h ARG 720 Ca 0.27 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3fki h ARG 720 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3fki h ARG 720 CO -0.03 0.00 -0.00 0.74 -1.51 0.00 0.00 179.97 179.17 3fki h PHE 721 N 0.00 -0.00 -0.44 2.20 0.05 0.29 -3.20 116.94 115.84 3fki h PHE 721 Ca 0.00 -0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.67 3fki h PHE 721 Cb 0.69 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.63 3fki h PHE 721 CO 0.00 0.92 -0.19 -0.07 -0.18 0.00 0.00 178.31 178.79 3fki h LEU 722 N -0.96 0.92 -1.03 1.54 3.38 -1.18 -0.76 115.31 117.22 3fki h LEU 722 Ca -0.00 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 3fki h LEU 722 Cb 0.92 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3fki h LEU 722 CO 0.00 1.11 -0.28 0.78 0.09 0.00 0.00 178.44 180.15 3fki h ASN 723 N 0.73 0.36 -0.34 -0.43 2.35 -1.63 0.17 115.58 116.80 3fki h ASN 723 Ca 0.10 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 3fki h ASN 723 Cb 0.75 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3fki h ASN 723 CO 0.06 0.63 -0.22 -0.08 -1.65 0.00 0.00 177.43 176.17 3fki h GLU 724 N 0.32 0.83 0.00 0.81 4.81 -1.50 -2.66 114.58 117.19 3fki h GLU 724 Ca 0.05 -0.34 -0.20 0.00 -0.13 0.00 0.00 59.36 58.74 3fki h GLU 724 Cb 0.66 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 3fki h GLU 724 CO 0.05 0.97 -0.94 0.00 -0.73 0.00 0.00 179.01 178.35 3fki h ALA 725 N 1.03 0.45 -0.14 2.92 0.00 -0.74 -3.04 119.26 119.74 3fki h ALA 725 Ca 0.10 -0.85 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 3fki h ALA 725 Cb 0.75 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3fki h ALA 725 CO 0.06 1.15 -0.23 -0.09 0.00 0.00 0.00 179.25 180.15 3fki h ARG 726 N 0.01 0.40 -0.27 0.00 2.43 -0.67 -2.50 114.38 113.78 3fki h ARG 726 Ca -0.01 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 58.81 3fki h ARG 726 Cb 1.66 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.22 3fki h ARG 726 CO 0.12 0.83 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.72 3fki h ASP 727 N 0.01 0.52 1.19 -3.80 5.19 -1.56 -0.62 116.42 117.35 3fki h ASP 727 Ca 0.01 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.15 3fki h ASP 727 Cb 0.80 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 3fki h ASP 727 CO 0.05 0.77 -0.44 0.07 -3.12 0.00 0.00 179.24 176.57 3fki h LYS 728 N 0.46 0.00 -0.08 3.56 2.10 -1.61 0.14 116.57 121.14 3fki h LYS 728 Ca 0.07 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.58 3fki h LYS 728 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 3fki h LYS 728 CO 0.05 0.44 -0.55 0.00 -2.00 0.00 0.00 179.45 177.39 3fki h ALA 729 N 1.56 0.91 -0.13 0.07 0.00 -1.01 -1.79 119.26 118.86 3fki h ALA 729 Ca -0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 3fki h ALA 729 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3fki h ALA 729 CO 0.06 0.69 -0.56 0.78 0.00 0.00 0.00 179.25 180.22 3fki h GLY 730 N 1.40 0.42 1.14 0.00 0.00 -0.83 -2.69 103.07 102.51 3fki h GLY 730 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 3fki h GLY 730 CO 0.09 0.44 0.10 3.21 0.00 0.00 0.00 176.54 180.38 3fki h ARG 731 N 0.29 1.05 0.00 4.80 3.08 -0.75 0.19 114.38 123.05 3fki h ARG 731 Ca 0.00 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3fki h ARG 731 Cb 1.07 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3fki h ARG 731 CO 0.10 0.96 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.67 3fki h LEU 732 N 0.98 0.00 0.12 3.04 3.38 -1.32 -3.01 115.31 118.50 3fki h LEU 732 Ca 0.20 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.83 3fki h LEU 732 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3fki h LEU 732 CO 0.01 0.21 -1.77 0.00 0.09 0.00 0.00 178.44 176.98 3fki h ALA 733 N 1.79 0.38 0.29 1.53 0.00 -1.09 -3.31 119.26 118.83 3fki h ALA 733 Ca -0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 54.91 53.63 3fki h ALA 733 Cb 0.70 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fki h ALA 733 CO 0.03 1.24 -0.14 1.49 0.00 0.00 0.00 179.25 181.87 3fki h GLU 734 N 0.07 -0.37 -0.19 0.00 4.81 -0.65 -3.07 114.58 115.17 3fki h GLU 734 Ca -0.33 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 3fki h GLU 734 Cb 2.04 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.49 3fki h GLU 734 CO 0.13 -0.04 -0.05 0.28 -0.73 0.00 0.00 179.01 178.60 3fki h VAL 735 N -0.94 1.15 -0.42 0.32 2.07 -1.76 -2.79 116.25 113.88 3fki h VAL 735 Ca -0.04 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3fki h VAL 735 Cb 0.50 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3fki h VAL 735 CO 0.06 0.21 0.15 -1.13 0.02 0.00 0.00 177.57 176.88 3fki h ASN 736 N 0.28 0.60 -3.26 0.57 -0.73 -1.65 -3.43 115.58 107.95 3fki h ASN 736 Ca 0.06 -0.19 -0.53 0.00 1.87 0.00 0.00 56.30 57.51 3fki h ASN 736 Cb 0.28 -0.16 0.07 0.00 0.27 0.00 0.00 38.32 38.78 3fki h ASN 736 CO 0.01 0.63 0.87 -0.76 -0.37 0.00 0.00 177.43 177.81 3fki s LEU 737 N -9.73 4.36 0.97 0.34 1.43 -1.06 -4.96 118.68 110.03 3fki s LEU 737 Ca -0.13 2.86 -0.12 0.00 -1.03 0.00 0.00 54.13 55.71 3fki s LEU 737 Cb 0.10 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 42.87 3fki s LEU 737 CO 0.76 -0.86 1.09 -0.54 0.23 0.00 0.00 176.35 177.03 3fki s LYS 738 N -0.24 0.63 0.00 1.70 1.02 -1.26 -4.91 119.74 116.68 3fki s LYS 738 Ca 0.64 0.71 0.11 0.00 0.02 0.00 0.00 55.97 57.44 3fki s LYS 738 Cb -0.46 -1.75 0.67 0.00 -0.52 0.00 0.00 37.83 35.78 3fki s LYS 738 CO 0.45 -2.64 1.27 -0.25 -0.92 0.00 0.00 175.35 173.26 3fki n ASP 739 N -4.14 0.00 -0.39 2.83 10.43 -1.26 -2.28 116.55 121.75 3fki n ASP 739 Ca 0.06 -1.24 0.07 0.00 2.57 0.00 0.00 54.79 56.25 3fki n ASP 739 Cb 0.56 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.54 3fki n ASP 739 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fki n LEU 740 N -0.72 1.67 -4.67 0.64 -0.00 -1.26 -4.84 117.00 107.82 3fki n LEU 740 Ca 0.08 -0.84 -0.42 0.00 -0.00 0.00 0.00 56.01 54.84 3fki n LEU 740 Cb 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.43 3fki n LEU 740 CO 0.06 0.32 1.32 0.21 -0.00 0.00 0.00 177.39 179.30 3fki s ASN 741 N -1.52 6.68 0.25 1.45 2.47 -0.96 -4.92 114.94 118.39 3fki s ASN 741 Ca 0.13 2.29 -0.05 0.00 0.42 0.00 0.00 52.86 55.64 3fki s ASN 741 Cb 0.11 -2.55 0.29 0.00 -1.45 0.00 0.00 41.25 37.65 3fki s ASN 741 CO 0.29 -0.88 1.87 0.78 -3.72 0.00 0.00 177.10 175.44 3fki h ASN 742 N 8.95 1.04 -0.20 -4.21 2.35 -1.91 0.25 115.58 121.85 3fki h ASN 742 Ca -0.40 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.24 3fki h ASN 742 Cb 1.18 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3fki h ASN 742 CO 0.94 0.84 0.05 0.58 -1.65 0.00 0.00 177.43 178.20 3fki h VAL 743 N 1.17 1.20 -0.46 2.81 2.07 -1.90 -2.79 116.25 118.35 3fki h VAL 743 Ca 0.29 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 3fki h VAL 743 Cb 0.04 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3fki h VAL 743 CO -0.05 0.20 -0.05 0.50 0.02 0.00 0.00 177.57 178.19 3fki h LYS 744 N 0.14 0.80 -0.36 1.57 3.64 -1.80 -2.53 116.57 118.03 3fki h LYS 744 Ca 0.06 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 3fki h LYS 744 Cb 0.26 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3fki h LYS 744 CO -0.00 0.84 0.24 1.96 -2.27 0.00 0.00 179.45 180.22 3fki h GLN 745 N 0.74 0.39 0.03 1.90 4.20 -0.42 0.28 115.11 122.23 3fki h GLN 745 Ca 0.13 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.57 3fki h GLN 745 Cb 0.52 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.22 3fki h GLN 745 CO 0.03 0.26 -1.03 0.52 -0.67 0.00 0.00 178.83 177.94 3fki h MET 746 N 0.41 0.49 -0.40 1.46 2.86 -1.23 -2.77 114.93 115.75 3fki h MET 746 Ca 0.14 -0.56 -0.12 0.00 -2.06 0.00 0.00 59.70 57.10 3fki h MET 746 Cb 0.07 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3fki h MET 746 CO -0.03 1.20 -0.22 0.28 1.06 0.00 0.00 176.91 179.20 3fki h VAL 747 N 0.26 1.28 -0.61 -2.22 2.07 -0.91 0.17 116.25 116.28 3fki h VAL 747 Ca -0.11 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.06 3fki h VAL 747 Cb 1.68 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 3fki h VAL 747 CO 0.19 0.46 0.39 0.24 0.02 0.00 0.00 177.57 178.86 3fki h MET 748 N 0.66 0.76 -0.39 1.57 2.07 -0.56 -2.31 114.93 116.74 3fki h MET 748 Ca 0.08 -0.05 -0.09 0.00 -2.07 0.00 0.00 59.70 57.58 3fki h MET 748 Cb 0.79 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 30.33 3fki h MET 748 CO 0.06 0.51 -0.14 0.00 1.07 0.00 0.00 176.91 178.41 3fki h ALA 749 N 1.24 1.04 0.00 6.32 0.00 -1.34 -3.46 119.26 123.06 3fki h ALA 749 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fki h ALA 749 Cb -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fki h ALA 749 CO -0.07 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3fki n GLY 750 N -0.45 0.77 0.12 0.00 0.00 0.50 -2.73 105.19 103.40 3fki n GLY 750 Ca 0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3fki n GLY 750 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fki h SER 751 N 0.00 -0.16 -5.08 1.61 4.64 -1.63 -3.48 113.55 109.46 3fki h SER 751 Ca 0.00 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 60.90 3fki h SER 751 Cb 0.00 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 61.99 3fki h SER 751 CO 0.00 0.31 -0.14 -0.54 -0.87 0.00 0.00 176.83 175.59 3fki s LYS 752 N -4.15 0.98 0.00 4.77 -0.14 -1.24 -4.65 119.74 115.32 3fki s LYS 752 Ca -0.14 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 3fki s LYS 752 Cb 0.01 0.43 0.00 0.00 -1.68 0.00 0.00 37.83 36.59 3fki s LYS 752 CO 0.58 -0.36 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 3fki n GLY 753 N 0.00 -1.14 3.42 -3.33 0.00 -1.26 -2.99 105.19 99.89 3fki n GLY 753 Ca -0.17 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 3fki n GLY 753 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fki s SER 754 N -2.27 0.25 0.40 1.61 1.04 -1.26 -4.65 113.70 108.82 3fki s SER 754 Ca 0.00 -1.23 0.17 0.00 0.48 0.00 0.00 55.95 55.38 3fki s SER 754 Cb 0.00 0.53 1.08 0.00 0.10 0.00 0.00 66.02 67.73 3fki s SER 754 CO 0.00 -1.06 1.79 0.15 0.98 0.00 0.00 173.24 175.09 3fki h PHE 755 N 2.35 0.66 -0.66 5.02 3.57 -1.99 0.14 116.94 126.02 3fki h PHE 755 Ca -0.30 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.16 3fki h PHE 755 Cb 1.25 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3fki h PHE 755 CO 0.64 0.09 0.17 0.82 -2.23 0.00 0.00 178.31 177.80 3fki h ILE 756 N 0.42 1.25 -0.33 1.41 1.08 -1.99 -2.58 117.51 116.78 3fki h ILE 756 Ca 0.57 -0.91 -0.04 0.00 -0.39 0.00 0.00 64.86 64.08 3fki h ILE 756 Cb 1.40 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 3fki h ILE 756 CO -0.27 0.35 0.03 0.78 -0.69 0.00 0.00 178.15 178.35 3fki h ASN 757 N 0.99 0.54 -0.27 1.72 -0.26 -1.37 -2.52 115.58 114.40 3fki h ASN 757 Ca 0.21 -0.28 -0.06 0.00 -0.56 0.00 0.00 56.30 55.61 3fki h ASN 757 Cb 0.34 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3fki h ASN 757 CO -0.00 0.69 -0.05 0.40 -1.06 0.00 0.00 177.43 177.40 3fki h ILE 758 N 0.37 1.28 -0.88 2.81 5.03 -1.52 -2.11 117.51 122.50 3fki h ILE 758 Ca 0.10 -1.06 0.06 0.00 -0.12 0.00 0.00 64.86 63.84 3fki h ILE 758 Cb 0.39 1.41 -0.06 0.00 -3.03 0.00 0.00 36.82 35.53 3fki h ILE 758 CO 0.01 0.33 0.55 0.00 -0.68 0.00 0.00 178.15 178.36 3fki h ALA 759 N 0.78 1.21 -0.15 1.87 0.00 -1.46 0.11 119.26 121.62 3fki h ALA 759 Ca 0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3fki h ALA 759 Cb 0.52 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3fki h ALA 759 CO 0.02 0.29 -0.69 1.96 0.00 0.00 0.00 179.25 180.83 3fki h GLN 760 N 0.99 0.73 -0.13 0.00 4.20 -1.43 0.26 115.11 119.73 3fki h GLN 760 Ca 0.38 -0.59 -0.17 0.00 0.06 0.00 0.00 58.65 58.33 3fki h GLN 760 Cb 0.18 0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.08 3fki h GLN 760 CO -0.18 1.20 -0.58 0.52 -0.67 0.00 0.00 178.83 179.12 3fki h MET 761 N 0.43 0.62 0.04 1.46 2.86 -1.06 -2.42 114.93 116.87 3fki h MET 761 Ca -0.05 -0.50 -0.38 0.00 -2.06 0.00 0.00 59.70 56.71 3fki h MET 761 Cb 1.33 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 33.04 3fki h MET 761 CO 0.14 1.12 -2.32 0.43 1.06 0.00 0.00 176.91 177.34 3fki n SER 762 N -4.14 2.03 0.00 1.22 7.64 0.35 -2.17 113.62 118.55 3fki n SER 762 Ca -0.08 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3fki n SER 762 Cb 0.64 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3fki n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fki n ALA 763 N -3.18 0.93 -3.46 -0.43 0.00 -0.82 -4.79 120.51 108.77 3fki n ALA 763 Ca -0.41 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 3fki n ALA 763 Cb 1.01 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.37 3fki n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fki h VAL 765 N 4.44 1.64 0.00 0.00 2.07 -1.68 -3.26 116.25 119.46 3fki h VAL 765 Ca -0.29 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.21 3fki h VAL 765 Cb 1.18 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 3fki h VAL 765 CO 0.18 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.90 3fki n GLY 766 N 1.28 1.46 3.52 2.17 0.00 -0.98 -4.87 105.19 107.78 3fki n GLY 766 Ca -0.09 -1.86 -0.57 0.00 0.00 0.00 0.00 46.02 43.50 3fki n GLY 766 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3fki n GLN 767 N 1.46 0.74 -2.82 1.61 -0.06 -1.26 -4.07 117.38 112.98 3fki n GLN 767 Ca 0.00 0.24 -0.40 0.00 -2.00 0.00 0.00 57.00 54.83 3fki n GLN 767 Cb 0.00 -2.01 -0.05 0.00 -4.06 0.00 0.00 30.24 24.12 3fki n GLN 767 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3fki s GLN 768 N 4.95 4.68 0.09 3.69 -1.52 -0.81 -4.98 119.66 125.76 3fki s GLN 768 Ca 1.08 1.35 0.07 0.00 -1.95 0.00 0.00 55.36 55.90 3fki s GLN 768 Cb -1.15 -3.33 -0.03 0.00 -0.22 0.00 0.00 33.01 28.27 3fki s GLN 768 CO 0.62 0.35 -0.18 -1.54 -0.25 0.00 0.00 175.29 174.30 3fki s SER 769 N -0.47 2.13 -0.21 5.90 1.04 -1.26 -4.02 113.70 116.81 3fki s SER 769 Ca 0.42 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 56.22 3fki s SER 769 Cb -0.23 -0.10 0.04 0.00 0.10 0.00 0.00 66.02 65.83 3fki s SER 769 CO 0.29 -0.01 -0.15 -0.69 0.98 0.00 0.00 173.24 173.66 3fki s VAL 770 N -1.22 2.04 -1.36 5.02 1.01 0.13 -4.57 120.40 121.45 3fki s VAL 770 Ca 0.02 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 3fki s VAL 770 Cb -0.10 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3fki s VAL 770 CO 0.03 0.28 0.94 -0.62 0.00 0.00 0.00 175.10 175.74 3fki n GLU 771 N 4.56 -6.61 -0.60 2.72 1.02 -1.26 -1.68 120.64 118.79 3fki n GLU 771 Ca -0.18 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 3fki n GLU 771 Cb 0.47 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.19 3fki n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fki n GLY 772 N -1.79 1.47 3.53 0.62 0.00 -1.26 -5.00 105.19 102.76 3fki n GLY 772 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3fki n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fki s LYS 773 N -0.09 2.77 0.47 1.61 1.02 -0.67 -5.09 119.74 119.76 3fki s LYS 773 Ca 0.00 -0.60 -0.23 0.00 0.02 0.00 0.00 55.97 55.16 3fki s LYS 773 Cb 0.00 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.70 3fki s LYS 773 CO 0.00 0.59 1.21 -0.98 -0.92 0.00 0.00 175.35 175.25 3fki s ARG 774 N -0.63 3.67 -0.33 1.68 1.70 -1.26 0.22 118.95 124.00 3fki s ARG 774 Ca 0.09 1.89 -0.29 0.00 -0.47 0.00 0.00 55.73 56.95 3fki s ARG 774 Cb -0.11 -2.42 -0.13 0.00 -0.57 0.00 0.00 34.95 31.72 3fki s ARG 774 CO 0.02 -0.66 1.28 -0.89 -1.08 0.00 0.00 175.30 173.96 3fki n ILE 775 N -0.52 0.00 -1.70 4.99 2.08 -1.00 -4.81 119.36 118.40 3fki n ILE 775 Ca 0.07 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.08 3fki n ILE 775 Cb 0.47 -0.33 0.04 0.00 -0.75 0.00 0.00 39.64 39.08 3fki n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fki s ALA 776 N 3.24 2.77 -0.40 -1.39 0.00 -1.26 -4.81 121.76 119.91 3fki s ALA 776 Ca 0.75 -0.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 3fki s ALA 776 Cb -0.98 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.03 3fki s ALA 776 CO 0.47 -1.13 1.47 -0.06 0.00 0.00 0.00 175.76 176.50 3fki s PHE 777 N -3.15 2.32 -0.13 0.00 0.40 -1.26 -4.79 117.98 111.37 3fki s PHE 777 Ca 0.58 0.67 0.18 0.00 -0.60 0.00 0.00 56.93 57.76 3fki s PHE 777 Cb -0.13 -4.27 -0.24 0.00 0.51 0.00 0.00 43.02 38.89 3fki s PHE 777 CO 0.54 -2.13 0.42 0.41 0.70 0.00 0.00 175.22 175.17 3fki n GLY 778 N 5.10 -1.06 1.84 4.36 0.00 -1.24 -4.34 105.19 109.86 3fki n GLY 778 Ca 0.17 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3fki n GLY 778 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fki n PHE 779 N -2.69 2.14 -2.37 1.61 3.01 -0.92 -4.98 117.46 113.27 3fki n PHE 779 Ca -0.18 -1.29 -0.01 0.00 1.01 0.00 0.00 57.45 56.98 3fki n PHE 779 Cb 0.91 -0.69 -0.01 0.00 -0.01 0.00 0.00 39.48 39.68 3fki n PHE 779 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3fki n VAL 780 N -0.46-13.12 0.00 -4.37 0.31 -1.26 -4.18 118.33 95.25 3fki n VAL 780 Ca 0.39 3.03 0.00 0.00 -0.01 0.00 0.00 64.34 67.75 3fki n VAL 780 Cb 1.29 -6.14 0.00 0.00 -0.91 0.00 0.00 33.84 28.08 3fki n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3fki n ASP 781 N 1.76 0.00 -4.14 4.52 8.00 -1.26 -4.83 116.55 120.60 3fki n ASP 781 Ca -0.09 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 3fki n ASP 781 Cb 0.14 -1.09 -0.11 0.00 -0.02 0.00 0.00 41.12 40.04 3fki n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fki s ARG 782 N 0.00 0.74 -0.11 -1.24 1.70 -1.26 -0.55 118.95 118.24 3fki s ARG 782 Ca 0.00 -1.07 -0.20 0.00 -0.47 0.00 0.00 55.73 53.99 3fki s ARG 782 Cb 0.00 -0.39 -0.17 0.00 -0.57 0.00 0.00 34.95 33.82 3fki s ARG 782 CO 0.00 0.05 0.61 1.15 -1.08 0.00 0.00 175.30 176.03 3fki h THR 783 N 3.73 1.15 -3.79 4.99 2.02 -1.87 -2.43 112.91 116.72 3fki h THR 783 Ca -0.36 -1.74 -0.37 0.00 0.77 0.00 0.00 66.41 64.70 3fki h THR 783 Cb 1.19 2.12 -0.19 0.00 -1.74 0.00 0.00 68.15 69.53 3fki h THR 783 CO 0.52 0.37 -0.76 -0.76 0.37 0.00 0.00 175.52 175.26 3fki s LEU 784 N -8.48 2.35 0.00 2.58 1.43 -1.26 -3.97 118.68 111.33 3fki s LEU 784 Ca -0.13 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3fki s LEU 784 Cb -0.01 -0.43 0.14 0.00 0.03 0.00 0.00 46.19 45.91 3fki s LEU 784 CO 0.47 -0.16 0.89 -0.81 0.23 0.00 0.00 176.35 176.98 3fki n PRO 785 N 0.88 0.04 0.01 1.29 -0.04 -1.26 -1.26 135.00 134.65 3fki n PRO 785 Ca -0.18 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 3fki n PRO 785 Cb 0.56 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.91 3fki n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3fki n HIS 786 N -1.28 0.12 -3.93 0.54 8.25 -1.26 -4.89 115.22 112.78 3fki n HIS 786 Ca 0.01 0.04 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 3fki n HIS 786 Cb 0.02 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 3fki n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3fki s PHE 787 N -3.03 2.82 0.48 4.41 0.40 -0.39 -5.13 117.98 117.55 3fki s PHE 787 Ca 0.12 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.98 3fki s PHE 787 Cb 0.17 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.90 3fki s PHE 787 CO 0.63 0.24 0.89 -1.12 0.70 0.00 0.00 175.22 176.57 3fki s SER 788 N -3.94 6.51 0.60 1.36 0.01 -1.26 -4.92 113.70 112.05 3fki s SER 788 Ca 0.40 1.33 -0.18 0.00 1.31 0.00 0.00 55.95 58.81 3fki s SER 788 Cb -0.04 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 3fki s SER 788 CO 0.25 -0.55 1.14 -0.54 0.41 0.00 0.00 173.24 173.95 3fki s LYS 789 N -4.18 3.05 -1.22 12.44 1.02 -1.26 -3.77 119.74 125.82 3fki s LYS 789 Ca 0.55 1.60 -0.05 0.00 0.02 0.00 0.00 55.97 58.09 3fki s LYS 789 Cb -0.10 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 3fki s LYS 789 CO 0.35 -1.09 0.78 -0.25 -0.92 0.00 0.00 175.35 174.22 3fki n ASP 790 N -1.76 -2.94 -4.07 2.83 10.43 0.29 -4.95 116.55 116.38 3fki n ASP 790 Ca 0.12 -0.82 -0.35 0.00 2.57 0.00 0.00 54.79 56.31 3fki n ASP 790 Cb 0.51 -4.21 -0.12 0.00 1.84 0.00 0.00 41.12 39.14 3fki n ASP 790 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3fki s ASP 791 N -4.03 5.04 -0.02 -2.24 3.68 -1.25 -4.93 116.67 112.92 3fki s ASP 791 Ca 0.17 -2.42 0.08 0.00 2.13 0.00 0.00 52.55 52.50 3fki s ASP 791 Cb -0.04 -1.78 0.27 0.00 -1.45 0.00 0.00 42.92 39.92 3fki s ASP 791 CO 0.80 -0.42 1.15 -1.22 0.13 0.00 0.00 175.17 175.60 3fki n TYR 792 N 4.02 0.49 -1.84 -5.34 4.02 -1.26 -4.63 117.16 112.62 3fki n TYR 792 Ca 0.03 -0.21 -0.41 0.00 -0.01 0.00 0.00 57.90 57.29 3fki n TYR 792 Cb 0.39 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 3fki n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3fki s SER 793 N -0.81 6.39 0.30 7.72 1.04 -1.26 -4.81 113.70 122.27 3fki s SER 793 Ca 0.19 3.00 0.04 0.00 0.48 0.00 0.00 55.95 59.66 3fki s SER 793 Cb 0.11 -2.66 0.65 0.00 0.10 0.00 0.00 66.02 64.22 3fki s SER 793 CO 0.11 -0.84 1.83 1.55 0.98 0.00 0.00 173.24 176.86 3fki h PRO 794 N 3.29 0.86 0.00 4.02 0.13 -1.97 -0.92 132.00 137.41 3fki h PRO 794 Ca -0.50 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 3fki h PRO 794 Cb 1.24 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3fki h PRO 794 CO 0.66 0.57 -0.18 0.93 -0.23 0.00 0.00 178.00 179.75 3fki h GLU 795 N 0.89 0.00 0.02 0.86 3.07 -1.91 -0.11 114.58 117.39 3fki h GLU 795 Ca 0.51 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.09 3fki h GLU 795 Cb 0.64 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.51 3fki h GLU 795 CO -0.28 0.18 -1.61 1.03 -1.40 0.00 0.00 179.01 176.93 3fki h SER 796 N 0.00 0.06 0.85 1.42 0.87 -1.53 -3.35 113.55 111.86 3fki h SER 796 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3fki h SER 796 Cb 0.32 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3fki h SER 796 CO 0.02 1.09 0.00 0.29 -0.53 0.00 0.00 176.83 177.71 3fki n LYS 797 N -3.15 0.06 0.00 2.24 4.76 -0.60 -4.73 118.16 116.74 3fki n LYS 797 Ca -0.15 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3fki n LYS 797 Cb 1.03 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 3fki n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fki n GLY 798 N 1.18 1.93 3.60 0.72 0.00 -0.94 -2.38 105.19 109.31 3fki n GLY 798 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3fki n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fki s PHE 799 N -2.00 3.17 -0.24 1.61 5.36 -0.10 -1.93 117.98 123.86 3fki s PHE 799 Ca 0.00 0.69 -0.20 0.00 -0.96 0.00 0.00 56.93 56.47 3fki s PHE 799 Cb 0.00 -3.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.40 3fki s PHE 799 CO 0.00 -0.61 0.59 0.54 -1.46 0.00 0.00 175.22 174.28 3fki s VAL 800 N 2.96 5.02 -0.08 3.12 0.11 -1.26 -4.52 120.40 125.75 3fki s VAL 800 Ca 0.31 1.07 -0.05 0.00 -2.93 0.00 0.00 61.98 60.38 3fki s VAL 800 Cb -0.14 -3.90 -0.27 0.00 -1.53 0.00 0.00 36.38 30.54 3fki s VAL 800 CO 0.14 0.08 0.52 -0.08 -3.33 0.00 0.00 175.10 172.43 3fki h GLU 801 N 7.78 0.26 -7.28 1.54 4.81 -1.96 -2.59 114.58 117.14 3fki h GLU 801 Ca -0.29 -0.45 -0.50 0.00 -0.13 0.00 0.00 59.36 57.99 3fki h GLU 801 Cb 1.13 0.17 0.06 0.00 0.63 0.00 0.00 28.75 30.74 3fki h GLU 801 CO 0.76 1.15 0.39 -0.80 -0.73 0.00 0.00 179.01 179.77 3fki s ASN 802 N -6.99 6.03 0.68 1.04 0.01 -1.26 -4.54 114.94 109.91 3fki s ASN 802 Ca -0.17 1.58 -0.04 0.00 -0.71 0.00 0.00 52.86 53.51 3fki s ASN 802 Cb 0.06 -2.50 0.07 0.00 0.41 0.00 0.00 41.25 39.29 3fki s ASN 802 CO 0.80 -1.00 0.96 -0.94 -1.51 0.00 0.00 177.10 175.42 3fki s SER 803 N -3.56 4.82 0.56 -1.22 1.04 -1.21 -3.16 113.70 110.97 3fki s SER 803 Ca 0.58 0.25 0.33 0.00 0.48 0.00 0.00 55.95 57.60 3fki s SER 803 Cb -0.12 -0.91 1.54 0.00 0.10 0.00 0.00 66.02 66.63 3fki s SER 803 CO 0.46 -1.55 2.06 1.88 0.98 0.00 0.00 173.24 177.07 3fki h TYR 804 N -0.46 0.00 -0.18 5.02 0.05 -1.30 -2.12 116.97 117.98 3fki h TYR 804 Ca -0.43 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.26 3fki h TYR 804 Cb 1.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.04 3fki h TYR 804 CO 0.23 0.05 -0.24 1.25 -1.05 0.00 0.00 178.16 178.41 3fki h LEU 805 N 0.00 0.52 0.22 3.88 5.85 -1.72 -3.36 115.31 120.69 3fki h LEU 805 Ca -0.00 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 3fki h LEU 805 Cb 0.41 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3fki h LEU 805 CO 0.01 0.92 -0.10 0.03 -0.34 0.00 0.00 178.44 178.96 3fki h ARG 806 N 0.13 -0.28 0.00 1.25 3.08 -1.77 -3.50 114.38 113.29 3fki h ARG 806 Ca 0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3fki h ARG 806 Cb 0.80 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3fki h ARG 806 CO 0.06 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.46 3fki n GLY 807 N 0.40 3.90 3.77 0.04 0.00 -0.83 -5.02 105.19 107.46 3fki n GLY 807 Ca -0.08 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3fki n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fki s LEU 808 N 0.00 4.38 0.49 0.99 1.02 -1.26 -4.81 118.68 119.48 3fki s LEU 808 Ca 0.00 2.00 -0.21 0.00 0.02 0.00 0.00 54.13 55.94 3fki s LEU 808 Cb 0.00 -3.91 -0.08 0.00 0.02 0.00 0.00 46.19 42.22 3fki s LEU 808 CO 0.00 -0.16 1.07 0.42 0.02 0.00 0.00 176.35 177.70 3fki s THR 809 N -1.46 3.58 0.42 5.49 -4.23 -1.26 -4.75 115.64 113.43 3fki s THR 809 Ca 0.50 1.03 0.26 0.00 -1.18 0.00 0.00 61.69 62.29 3fki s THR 809 Cb -0.24 -3.44 0.45 0.00 1.34 0.00 0.00 72.50 70.62 3fki s THR 809 CO 0.30 -0.17 1.67 -0.65 -0.54 0.00 0.00 174.62 175.23 3fki h PRO 810 N 1.64 0.18 0.27 3.99 0.11 -1.99 0.20 132.00 136.40 3fki h PRO 810 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3fki h PRO 810 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fki h PRO 810 CO 0.59 0.12 -0.13 1.96 -0.21 0.00 0.00 178.00 180.33 3fki h GLN 811 N 0.18 -0.35 -0.77 1.05 7.50 -1.98 -2.90 115.11 117.84 3fki h GLN 811 Ca 0.74 0.02 0.10 0.00 0.50 0.00 0.00 58.65 60.02 3fki h GLN 811 Cb 2.21 0.08 -0.05 0.00 0.05 0.00 0.00 27.48 29.77 3fki h GLN 811 CO -0.38 -0.03 0.50 0.93 -1.50 0.00 0.00 178.83 178.35 3fki h GLU 812 N -0.70 0.63 -0.62 1.46 5.08 -1.05 0.79 114.58 120.17 3fki h GLU 812 Ca -0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3fki h GLU 812 Cb 0.48 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3fki h GLU 812 CO 0.06 0.42 0.23 0.35 -1.00 0.00 0.00 179.01 179.07 3fki h PHE 813 N 0.65 0.97 -0.20 4.33 3.57 -1.11 0.22 116.94 125.36 3fki h PHE 813 Ca 0.36 -0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.59 3fki h PHE 813 Cb 0.52 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3fki h PHE 813 CO -0.00 0.77 -0.64 0.35 -2.23 0.00 0.00 178.31 176.57 3fki h PHE 814 N 0.88 0.92 -0.80 0.41 3.57 -1.03 -0.83 116.94 120.06 3fki h PHE 814 Ca 0.21 -0.36 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 3fki h PHE 814 Cb 0.23 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3fki h PHE 814 CO 0.01 1.16 0.39 0.74 -2.23 0.00 0.00 178.31 178.39 3fki h PHE 815 N 0.52 1.15 -0.07 0.41 0.04 -0.72 -0.96 116.94 117.30 3fki h PHE 815 Ca -0.01 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 3fki h PHE 815 Cb 1.23 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 3fki h PHE 815 CO 0.07 0.83 -0.42 1.25 -0.60 0.00 0.00 178.31 179.43 3fki h HIS 816 N 1.13 0.19 0.00 -0.55 2.76 -0.47 -2.19 115.15 116.02 3fki h HIS 816 Ca 0.28 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3fki h HIS 816 Cb 0.11 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.02 3fki h HIS 816 CO 0.01 0.56 0.00 0.00 -1.30 0.00 0.00 177.93 177.20 3fki h ALA 817 N 1.43 1.00 0.00 5.26 0.00 -0.70 -1.93 119.26 124.32 3fki h ALA 817 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3fki h ALA 817 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fki h ALA 817 CO 0.06 0.00 -0.05 0.52 0.00 0.00 0.00 179.25 179.78 3fki h MET 818 N 0.00 0.00 -0.24 0.00 2.07 -0.75 -3.15 114.93 112.86 3fki h MET 818 Ca 0.00 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.54 3fki h MET 818 Cb 0.78 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.49 3fki h MET 818 CO 0.00 0.34 -0.25 0.78 1.07 0.00 0.00 176.91 178.85 3fki h GLY 819 N -1.00 0.50 2.00 8.32 0.00 -1.50 -2.62 103.07 108.77 3fki h GLY 819 Ca -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3fki h GLY 819 CO -0.00 0.37 -0.25 -1.33 0.00 0.00 0.00 176.54 175.33 3fki h GLY 820 N 1.02 0.00 1.14 4.60 0.00 -1.53 -3.21 103.07 105.08 3fki h GLY 820 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 3fki h GLY 820 CO 0.05 0.00 -0.91 -0.09 0.00 0.00 0.00 176.54 175.59 3fki h ARG 821 N 0.00 0.69 -0.86 4.80 2.43 -1.43 -3.17 114.38 116.85 3fki h ARG 821 Ca -0.00 -0.69 0.21 0.00 -0.81 0.00 0.00 59.98 58.69 3fki h ARG 821 Cb 0.82 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 3fki h ARG 821 CO 0.03 1.28 0.59 1.49 -1.51 0.00 0.00 179.97 181.85 3fki h GLU 822 N 0.37 0.24 0.85 0.20 4.81 -1.51 0.40 114.58 119.94 3fki h GLU 822 Ca -0.10 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3fki h GLU 822 Cb 1.56 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.89 3fki h GLU 822 CO 0.18 0.16 -0.41 0.78 -0.73 0.00 0.00 179.01 178.99 3fki h GLY 823 N 0.25 -1.19 1.67 1.92 0.00 -1.64 -1.47 103.07 102.61 3fki h GLY 823 Ca 0.43 0.44 0.04 0.00 0.00 0.00 0.00 47.33 48.24 3fki h GLY 823 CO -0.11 -0.43 0.13 1.41 0.00 0.00 0.00 176.54 177.54 3fki h LEU 824 N -1.29 0.00 0.02 3.11 3.38 -1.17 0.28 115.31 119.64 3fki h LEU 824 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3fki h LEU 824 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3fki h LEU 824 CO 0.19 0.00 -0.01 0.40 0.09 0.00 0.00 178.44 179.11 3fki h ILE 825 N 0.00 1.29 0.00 1.22 2.04 -0.99 -3.28 117.51 117.78 3fki h ILE 825 Ca 0.06 -1.87 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 3fki h ILE 825 Cb 0.32 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 3fki h ILE 825 CO -0.00 0.42 -0.29 -2.24 0.00 0.00 0.00 178.15 176.04 3fki h ASP 826 N -0.96 0.00 0.03 1.72 2.03 -0.83 -2.56 116.42 115.85 3fki h ASP 826 Ca -0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 3fki h ASP 826 Cb 0.71 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 3fki h ASP 826 CO 0.00 0.29 -0.12 0.74 -1.03 0.00 0.00 179.24 179.12 3fki h THR 827 N 0.00 1.17 -0.21 1.15 2.02 -0.60 1.02 112.91 117.45 3fki h THR 827 Ca -0.00 -0.73 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 3fki h THR 827 Cb 0.95 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3fki h THR 827 CO 0.04 0.23 -0.48 0.00 0.37 0.00 0.00 175.52 175.67 3fki h ALA 828 N 1.68 0.77 0.02 6.16 0.00 -1.52 -2.44 119.26 123.93 3fki h ALA 828 Ca 0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3fki h ALA 828 Cb 0.35 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3fki h ALA 828 CO 0.02 0.67 -0.48 0.28 0.00 0.00 0.00 179.25 179.74 3fki h VAL 829 N 0.45 1.50 -0.59 0.00 2.07 -1.12 -2.98 116.25 115.57 3fki h VAL 829 Ca 0.02 -2.11 0.02 0.00 0.82 0.00 0.00 66.70 65.45 3fki h VAL 829 Cb 1.00 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.53 3fki h VAL 829 CO 0.09 0.60 0.38 0.11 0.02 0.00 0.00 177.57 178.77 3fki h LYS 830 N -0.33 0.74 0.00 1.57 6.56 0.98 -0.41 116.57 125.68 3fki h LYS 830 Ca -0.07 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.42 3fki h LYS 830 Cb 1.24 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.72 3fki h LYS 830 CO 0.09 0.49 -0.29 0.00 -2.06 0.00 0.00 179.45 177.68 3fki h THR 831 N 0.77 0.68 0.19 -0.16 1.03 -1.55 -2.07 112.91 111.79 3fki h THR 831 Ca 0.23 -1.32 -0.26 0.00 -0.01 0.00 0.00 66.41 65.05 3fki h THR 831 Cb -0.04 1.86 0.03 0.00 -1.07 0.00 0.00 68.15 68.92 3fki h THR 831 CO -0.07 0.28 -1.18 0.00 -0.01 0.00 0.00 175.52 174.54 3fki h ALA 832 N 1.71 -0.08 -0.09 0.00 0.00 -1.29 -3.13 119.26 116.38 3fki h ALA 832 Ca -0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 54.91 53.90 3fki h ALA 832 Cb 0.84 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fki h ALA 832 CO 0.04 0.58 -0.71 1.49 0.00 0.00 0.00 179.25 180.64 3fki h GLU 833 N -0.14 0.44 -0.87 0.00 4.81 -1.10 -3.08 114.58 114.63 3fki h GLU 833 Ca -0.21 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3fki h GLU 833 Cb 1.89 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.29 3fki h GLU 833 CO 0.19 0.98 0.53 1.15 -0.73 0.00 0.00 179.01 181.13 3fki h THR 834 N 0.30 1.24 -0.86 0.32 2.02 -1.51 0.03 112.91 114.46 3fki h THR 834 Ca -0.03 -0.53 0.14 0.00 0.77 0.00 0.00 66.41 66.77 3fki h THR 834 Cb 1.29 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 3fki h THR 834 CO 0.13 0.25 0.56 1.23 0.37 0.00 0.00 175.52 178.06 3fki h GLY 835 N 1.20 1.09 0.49 2.16 0.00 -1.48 0.96 103.07 107.50 3fki h GLY 835 Ca 0.31 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 3fki h GLY 835 CO -0.06 0.09 -0.32 -1.82 0.00 0.00 0.00 176.54 174.44 3fki h TYR 836 N 0.64 0.31 -0.37 5.60 3.20 -1.39 -3.10 116.97 121.85 3fki h TYR 836 Ca 0.43 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3fki h TYR 836 Cb 0.72 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3fki h TYR 836 CO -0.00 0.99 0.24 0.82 -1.64 0.00 0.00 178.16 178.57 3fki h ILE 837 N -0.46 1.11 -0.49 1.81 2.04 -0.18 -1.64 117.51 119.69 3fki h ILE 837 Ca -0.04 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3fki h ILE 837 Cb 1.08 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3fki h ILE 837 CO 0.06 0.11 0.14 -0.61 0.00 0.00 0.00 178.15 177.85 3fki h GLN 838 N 0.50 0.73 -0.11 2.37 -0.00 0.79 -2.79 115.11 116.59 3fki h GLN 838 Ca 0.14 -0.13 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 3fki h GLN 838 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.33 3fki h GLN 838 CO -0.03 0.65 -0.36 -0.09 0.00 0.00 0.00 178.83 179.00 3fki h ARG 839 N 0.71 0.45 -0.47 1.69 2.43 -1.42 -3.15 114.38 114.61 3fki h ARG 839 Ca 0.16 -0.33 0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3fki h ARG 839 Cb 0.24 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3fki h ARG 839 CO -0.01 0.95 0.12 0.00 -1.51 0.00 0.00 179.97 179.52 3fki h ARG 840 N 0.03 0.26 -0.42 0.20 3.08 -1.15 -0.49 114.38 115.88 3fki h ARG 840 Ca -0.01 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.05 3fki h ARG 840 Cb 0.98 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3fki h ARG 840 CO 0.08 0.17 0.23 -0.07 -1.07 0.00 0.00 179.97 179.31 3fki h LEU 841 N 0.26 0.36 -0.14 3.04 3.38 -1.58 -1.04 115.31 119.58 3fki h LEU 841 Ca 0.23 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fki h LEU 841 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3fki h LEU 841 CO -0.28 0.26 0.07 0.58 0.09 0.00 0.00 178.44 179.16 3fki h VAL 842 N 0.46 1.11 0.00 1.22 2.07 -1.39 -2.63 116.25 117.09 3fki h VAL 842 Ca 0.17 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3fki h VAL 842 Cb 0.05 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3fki h VAL 842 CO -0.10 0.10 0.00 0.11 0.02 0.00 0.00 177.57 177.70 3fki h LYS 843 N 0.12 0.00 0.00 1.57 1.79 -0.88 -0.86 116.57 118.32 3fki h LYS 843 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3fki h LYS 843 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3fki h LYS 843 CO -0.01 0.00 -0.62 0.00 -1.08 0.00 0.00 179.45 177.74 3fki n ALA 844 N -2.08 2.94 -0.20 3.86 0.00 -0.42 -4.32 120.51 120.29 3fki n ALA 844 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3fki n ALA 844 Cb 0.24 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3fki n ALA 844 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fki n LEU 845 N -2.09 1.01 -0.34 0.00 4.77 -0.82 -4.88 117.00 114.64 3fki n LEU 845 Ca 0.03 -1.01 -0.09 0.00 -0.03 0.00 0.00 56.01 54.92 3fki n LEU 845 Cb 0.44 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3fki n LEU 845 CO 0.36 0.25 0.46 -0.62 -1.33 0.00 0.00 177.39 176.51 3fki n GLU 846 N -0.10 -0.36 0.25 3.23 1.02 -0.39 -1.98 120.64 122.30 3fki n GLU 846 Ca 0.00 1.36 0.17 0.00 -0.02 0.00 0.00 57.16 58.67 3fki n GLU 846 Cb 0.12 -2.00 0.73 0.00 -0.02 0.00 0.00 31.44 30.26 3fki n GLU 846 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3fki h ASP 847 N 0.00 0.00 -2.70 1.62 3.04 -1.89 -3.40 116.42 113.09 3fki h ASP 847 Ca 0.13 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.37 3fki h ASP 847 Cb 0.33 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.60 3fki h ASP 847 CO -0.76 0.00 1.05 -0.63 -2.04 0.00 0.00 179.24 176.86 3fki s ILE 848 N -3.66 3.77 0.05 4.15 1.01 -0.84 -4.61 121.20 121.07 3fki s ILE 848 Ca 0.01 0.92 -0.11 0.00 0.00 0.00 0.00 60.65 61.47 3fki s ILE 848 Cb 0.09 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.96 3fki s ILE 848 CO 0.46 -0.11 0.24 0.00 0.00 0.00 0.00 174.94 175.53 3fki s MET 849 N 3.99 0.76 -0.39 2.79 0.23 -1.15 -1.23 119.30 124.31 3fki s MET 849 Ca 0.69 -0.64 -0.29 0.00 -1.03 0.00 0.00 55.69 54.42 3fki s MET 849 Cb -0.29 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.35 3fki s MET 849 CO 0.26 -0.24 1.15 0.08 -2.03 0.00 0.00 175.02 174.24 3fki s VAL 850 N -2.78 4.31 0.94 5.16 1.01 -1.20 -3.32 120.40 124.52 3fki s VAL 850 Ca -0.03 1.44 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 3fki s VAL 850 Cb -0.00 -4.45 0.19 0.00 0.00 0.00 0.00 36.38 32.11 3fki s VAL 850 CO -0.05 -0.71 1.30 -1.00 0.00 0.00 0.00 175.10 174.64 3fki s HIS 851 N 4.16 1.75 0.34 5.22 3.76 0.15 -2.32 115.29 128.34 3fki s HIS 851 Ca 0.49 0.36 0.23 0.00 -0.15 0.00 0.00 55.06 55.98 3fki s HIS 851 Cb -0.11 -4.03 1.16 0.00 1.11 0.00 0.00 32.58 30.71 3fki s HIS 851 CO 0.24 -2.54 1.96 1.88 -0.85 0.00 0.00 174.74 175.43 3fki h TYR 852 N -1.56 0.00 -0.12 1.40 -1.99 -1.90 -0.68 116.97 112.12 3fki h TYR 852 Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 3fki h TYR 852 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 3fki h TYR 852 CO -0.97 0.20 0.00 -0.40 -0.00 0.00 0.00 178.16 176.99 3fki n ASP 853 N -3.69 0.64 -0.04 3.88 5.75 -1.26 -4.88 116.55 116.96 3fki n ASP 853 Ca -0.01 -2.00 -0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3fki n ASP 853 Cb 0.32 -0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3fki n ASP 853 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3fki n ASN 854 N -0.15 -4.41 -4.91 -1.12 3.02 -0.26 -5.02 115.26 102.41 3fki n ASN 854 Ca 0.04 0.01 -0.27 0.00 -0.03 0.00 0.00 54.58 54.33 3fki n ASN 854 Cb 0.10 -1.95 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 3fki n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3fki s THR 855 N -1.57 4.77 -0.56 3.41 -1.32 -1.23 -3.78 115.64 115.37 3fki s THR 855 Ca 0.00 0.18 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 3fki s THR 855 Cb 0.00 -3.82 0.14 0.00 -1.51 0.00 0.00 72.50 67.31 3fki s THR 855 CO 0.00 -0.81 0.33 -0.89 -2.21 0.00 0.00 174.62 171.04 3fki s THR 856 N -2.77 3.06 0.48 5.08 2.01 0.69 -0.68 115.64 123.50 3fki s THR 856 Ca 0.48 -3.12 0.00 0.00 0.31 0.00 0.00 61.69 59.36 3fki s THR 856 Cb -0.10 -3.07 0.09 0.00 0.01 0.00 0.00 72.50 69.43 3fki s THR 856 CO 0.45 -0.82 0.65 -2.11 -0.69 0.00 0.00 174.62 172.10 3fki n ARG 857 N 3.32 0.19 0.00 4.92 1.85 -1.21 -0.81 116.66 124.92 3fki n ARG 857 Ca 0.06 -1.83 0.00 0.00 -1.00 0.00 0.00 57.85 55.08 3fki n ARG 857 Cb 0.35 -0.42 0.00 0.00 -1.05 0.00 0.00 32.46 31.34 3fki n ARG 857 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3fki n ASN 858 N -2.91 0.00 0.00 2.89 0.23 -1.20 -2.95 115.26 111.32 3fki n ASN 858 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 3fki n ASN 858 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3fki n ASN 858 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3fki n SER 859 N -0.51 0.00 0.16 0.53 3.41 -1.26 -4.34 113.62 111.62 3fki n SER 859 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 3fki n SER 859 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 3fki n SER 859 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3fki h LEU 860 N 0.00 0.00 0.00 1.04 3.38 -1.96 -3.44 115.31 114.33 3fki h LEU 860 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fki h LEU 860 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fki h LEU 860 CO 0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3fki n GLY 861 N 0.87 1.13 3.68 0.83 0.00 -1.26 -5.10 105.19 105.34 3fki n GLY 861 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3fki n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fki s ASN 862 N -1.27 6.97 0.04 1.61 0.01 -1.26 -4.83 114.94 116.22 3fki s ASN 862 Ca 0.00 1.81 -0.30 0.00 -0.71 0.00 0.00 52.86 53.65 3fki s ASN 862 Cb 0.00 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 3fki s ASN 862 CO 0.00 -0.68 1.20 -0.69 -1.51 0.00 0.00 177.10 175.42 3fki s VAL 863 N 2.83 4.07 -0.18 1.60 1.01 -1.26 -3.21 120.40 125.26 3fki s VAL 863 Ca 0.57 1.47 -0.12 0.00 0.00 0.00 0.00 61.98 63.90 3fki s VAL 863 Cb -0.24 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3fki s VAL 863 CO 0.20 0.09 -0.28 -0.38 0.00 0.00 0.00 175.10 174.73 3fki n ILE 864 N 4.06 1.27 -4.52 2.22 5.41 0.01 -4.97 119.36 122.84 3fki n ILE 864 Ca 0.09 -0.13 -0.27 0.00 1.00 0.00 0.00 62.75 63.44 3fki n ILE 864 Cb 0.46 -1.92 -0.17 0.00 -0.71 0.00 0.00 39.64 37.30 3fki n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3fki s GLN 865 N -2.50 2.06 0.27 0.38 -0.21 -1.21 -4.95 119.66 113.50 3fki s GLN 865 Ca -0.27 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.60 3fki s GLN 865 Cb 0.09 -1.74 0.37 0.00 1.00 0.00 0.00 33.01 32.73 3fki s GLN 865 CO 0.36 -0.03 1.72 0.74 -2.12 0.00 0.00 175.29 175.97 3fki h PHE 866 N 7.27 0.65 -3.25 0.91 -1.00 -1.89 0.20 116.94 119.82 3fki h PHE 866 Ca -0.30 -0.13 -0.46 0.00 2.81 0.00 0.00 57.97 59.89 3fki h PHE 866 Cb 1.18 -0.16 -0.37 0.00 3.61 0.00 0.00 35.95 40.20 3fki h PHE 866 CO 0.48 0.74 -0.78 0.42 -1.61 0.00 0.00 178.31 177.56 3fki s ILE 867 N -4.63 0.62 0.11 -0.55 1.01 -1.26 -3.51 121.20 113.00 3fki s ILE 867 Ca -0.08 -0.04 -0.34 0.00 0.00 0.00 0.00 60.65 60.19 3fki s ILE 867 Cb 0.14 -0.71 -0.13 0.00 0.01 0.00 0.00 42.46 41.77 3fki s ILE 867 CO 0.80 0.29 1.66 0.00 0.00 0.00 0.00 174.94 177.69 3fki n TYR 868 N 4.95 2.33 -1.26 3.97 9.36 -1.25 -0.23 117.16 135.04 3fki n TYR 868 Ca -0.11 0.18 -0.09 0.00 3.32 0.00 0.00 57.90 61.20 3fki n TYR 868 Cb 0.50 -2.59 -0.04 0.00 -0.63 0.00 0.00 39.34 36.59 3fki n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fki n GLY 869 N 3.68 1.07 2.48 2.98 0.00 -1.26 -0.31 105.19 113.82 3fki n GLY 869 Ca 0.18 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 3fki n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fki n GLU 870 N -2.50 -1.45 0.00 1.61 1.02 0.68 -4.55 120.64 115.46 3fki n GLU 870 Ca -0.09 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 3fki n GLU 870 Cb 0.33 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.31 3fki n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3fki n ASP 871 N -1.14 0.00 0.00 1.62 5.75 -1.18 -4.84 116.55 116.76 3fki n ASP 871 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 3fki n ASP 871 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3fki n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fki n GLY 872 N -0.09 0.42 3.53 6.12 0.00 0.57 -4.88 105.19 110.86 3fki n GLY 872 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 3fki n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fki s MET 873 N -3.87 3.53 0.10 1.61 -1.94 -1.26 -0.44 119.30 117.04 3fki s MET 873 Ca 0.00 -0.50 -0.31 0.00 -1.71 0.00 0.00 55.69 53.17 3fki s MET 873 Cb 0.00 -2.88 -0.07 0.00 2.01 0.00 0.00 34.83 33.89 3fki s MET 873 CO 0.00 0.33 1.29 0.34 -0.01 0.00 0.00 175.02 176.97 3fki s ASP 874 N 0.11 6.95 0.56 3.03 2.15 -0.71 -4.76 116.67 124.01 3fki s ASP 874 Ca -0.00 2.20 0.26 0.00 0.43 0.00 0.00 52.55 55.43 3fki s ASP 874 Cb -0.13 -2.59 1.62 0.00 -0.30 0.00 0.00 42.92 41.52 3fki s ASP 874 CO 0.03 -0.55 2.20 0.00 -0.17 0.00 0.00 175.17 176.68 3fki h ALA 875 N 6.57 1.63 0.00 3.66 0.00 -1.90 -2.48 119.26 126.73 3fki h ALA 875 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3fki h ALA 875 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fki h ALA 875 CO 0.83 0.02 0.00 0.00 0.00 0.00 0.00 179.25 180.10 3fki h ALA 876 N 1.98 1.00 -0.97 0.00 0.00 -1.87 -3.13 119.26 116.28 3fki h ALA 876 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3fki h ALA 876 Cb 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.50 3fki h ALA 876 CO 0.00 0.00 0.34 0.72 0.00 0.00 0.00 179.25 180.31 3fki n HIS 877 N -2.35 3.09 -4.18 0.00 8.25 -0.94 -4.92 115.22 114.17 3fki n HIS 877 Ca 0.02 -2.73 -0.16 0.00 -0.26 0.00 0.00 57.72 54.58 3fki n HIS 877 Cb 0.24 -1.03 -0.15 0.00 1.12 0.00 0.00 29.99 30.17 3fki n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fki s ILE 878 N -4.85 0.45 0.06 1.59 1.01 -1.18 -3.19 121.20 115.09 3fki s ILE 878 Ca 0.58 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.03 3fki s ILE 878 Cb 0.47 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.52 3fki s ILE 878 CO -0.06 0.13 -0.08 -1.61 0.00 0.00 0.00 174.94 173.32 3fki s GLU 879 N -0.04 0.65 -1.04 2.79 2.02 -1.11 -4.77 118.70 117.20 3fki s GLU 879 Ca 0.01 -0.94 -0.23 0.00 0.02 0.00 0.00 54.97 53.83 3fki s GLU 879 Cb -0.03 -0.33 0.01 0.00 0.10 0.00 0.00 34.13 33.87 3fki s GLU 879 CO -0.00 0.05 1.71 0.15 0.02 0.00 0.00 175.26 177.18 3fki s LYS 880 N -2.23 3.19 0.14 1.61 1.02 -1.26 -2.04 119.74 120.17 3fki s LYS 880 Ca -0.03 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 54.94 3fki s LYS 880 Cb -0.06 -5.28 -0.05 0.00 -0.52 0.00 0.00 37.83 31.93 3fki s LYS 880 CO -0.01 -2.80 0.34 -0.65 -0.92 0.00 0.00 175.35 171.31 3fki s GLN 881 N 5.70 3.56 -0.16 1.68 -0.21 -1.13 -4.74 119.66 124.36 3fki s GLN 881 Ca 0.58 -0.21 -0.19 0.00 0.02 0.00 0.00 55.36 55.55 3fki s GLN 881 Cb -0.02 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 3fki s GLN 881 CO -0.02 0.48 0.54 -1.54 -2.12 0.00 0.00 175.29 172.64 3fki s SER 882 N -2.59 6.67 -0.69 5.90 1.04 -1.26 -1.83 113.70 120.93 3fki s SER 882 Ca 0.39 0.80 -0.27 0.00 0.48 0.00 0.00 55.95 57.35 3fki s SER 882 Cb -0.12 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.72 3fki s SER 882 CO 0.26 -0.12 1.30 -0.76 0.98 0.00 0.00 173.24 174.90 3fki s LEU 883 N 1.22 3.24 0.00 2.42 1.43 0.50 -4.88 118.68 122.61 3fki s LEU 883 Ca 0.27 -0.25 0.24 0.00 -1.03 0.00 0.00 54.13 53.35 3fki s LEU 883 Cb -0.16 -2.71 1.22 0.00 0.03 0.00 0.00 46.19 44.58 3fki s LEU 883 CO 0.11 -1.79 1.79 0.47 0.23 0.00 0.00 176.35 177.16 3fki n ASP 884 N 9.37 0.00 -0.04 2.29 8.00 -1.26 -3.26 116.55 131.65 3fki n ASP 884 Ca 0.06 -0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 3fki n ASP 884 Cb 0.49 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 3fki n ASP 884 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3fki h THR 885 N 0.00 1.38 0.13 -3.53 2.02 -1.90 -3.37 112.91 107.65 3fki h THR 885 Ca 0.00 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 3fki h THR 885 Cb 0.20 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3fki h THR 885 CO 0.00 0.50 -0.06 0.40 0.37 0.00 0.00 175.52 176.73 3fki h ILE 886 N 0.01 1.03 -4.13 3.11 2.04 -1.90 -3.46 117.51 114.21 3fki h ILE 886 Ca -0.02 -1.00 -0.54 0.00 1.00 0.00 0.00 64.86 64.31 3fki h ILE 886 Cb 1.00 1.62 0.14 0.00 -0.74 0.00 0.00 36.82 38.84 3fki h ILE 886 CO 0.08 0.22 0.46 -0.83 0.00 0.00 0.00 178.15 178.09 3fki s GLY 887 N -3.09 2.66 0.00 5.37 0.00 -1.25 -4.90 107.32 106.10 3fki s GLY 887 Ca -0.14 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.61 3fki s GLY 887 CO 0.58 1.45 0.00 0.61 0.00 0.00 0.00 173.10 175.73 3fki n GLY 888 N 0.59 0.60 3.87 0.20 0.00 -1.26 -4.93 105.19 104.27 3fki n GLY 888 Ca 0.14 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 3fki n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fki s SER 889 N -1.16 3.35 0.38 1.61 1.04 -1.26 -4.50 113.70 113.16 3fki s SER 889 Ca 0.00 0.54 0.16 0.00 0.48 0.00 0.00 55.95 57.13 3fki s SER 889 Cb 0.00 -0.79 0.76 0.00 0.10 0.00 0.00 66.02 66.08 3fki s SER 889 CO 0.00 -2.61 1.80 0.44 0.98 0.00 0.00 173.24 173.85 3fki h ASP 890 N -1.55 0.00 0.03 7.02 3.32 -1.72 -3.05 116.42 120.48 3fki h ASP 890 Ca -0.46 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 3fki h ASP 890 Cb 1.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.84 3fki h ASP 890 CO 0.49 0.37 -0.40 0.00 -1.72 0.00 0.00 179.24 177.98 3fki h ALA 891 N 1.63 0.00 0.00 3.45 0.00 -1.94 -3.28 119.26 119.12 3fki h ALA 891 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 3fki h ALA 891 Cb 0.75 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3fki h ALA 891 CO 0.05 0.18 -0.38 0.00 0.00 0.00 0.00 179.25 179.10 3fki h ALA 892 N 0.18 1.13 -0.90 0.00 0.00 -1.96 -2.86 119.26 114.86 3fki h ALA 892 Ca -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3fki h ALA 892 Cb 1.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3fki h ALA 892 CO 0.08 0.47 0.53 0.35 0.00 0.00 0.00 179.25 180.67 3fki h PHE 893 N 0.00 1.20 -0.05 0.00 3.57 -1.64 -2.48 116.94 117.55 3fki h PHE 893 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 3fki h PHE 893 Cb 0.79 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3fki h PHE 893 CO 0.00 0.81 -0.45 1.49 -2.23 0.00 0.00 178.31 177.93 3fki h GLU 894 N 1.25 0.13 -0.05 1.11 4.81 -1.56 -2.67 114.58 117.60 3fki h GLU 894 Ca 0.32 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3fki h GLU 894 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3fki h GLU 894 CO -0.06 0.55 0.00 1.17 -0.73 0.00 0.00 179.01 179.95 3fki n LYS 895 N -4.00 1.14 0.00 1.92 4.81 -0.94 -2.59 118.16 118.50 3fki n LYS 895 Ca -0.02 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 3fki n LYS 895 Cb 0.49 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.36 3fki n LYS 895 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3fki n ARG 896 N -0.46 3.24 0.00 1.64 0.63 -1.12 -4.93 116.66 115.66 3fki n ARG 896 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3fki n ARG 896 Cb 0.08 -0.49 0.00 0.00 0.45 0.00 0.00 32.46 32.50 3fki n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3fki n TYR 897 N -0.54 0.00 -2.06 -0.14 4.02 -1.02 -4.26 117.16 113.16 3fki n TYR 897 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 3fki n TYR 897 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 3fki n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3fki s ARG 898 N -1.48 3.68 -0.29 -0.72 6.06 -1.07 -4.68 118.95 120.46 3fki s ARG 898 Ca 0.00 1.65 -0.08 0.00 -2.50 0.00 0.00 55.73 54.80 3fki s ARG 898 Cb 0.00 -4.09 -0.01 0.00 0.06 0.00 0.00 34.95 30.92 3fki s ARG 898 CO 0.00 -1.44 0.11 0.08 -2.50 0.00 0.00 175.30 171.55 3fki s VAL 899 N 5.65 4.28 -0.35 7.11 1.01 -1.26 -4.93 120.40 131.90 3fki s VAL 899 Ca 0.75 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.28 3fki s VAL 899 Cb -0.25 -3.15 0.10 0.00 0.00 0.00 0.00 36.38 33.08 3fki s VAL 899 CO 0.31 0.13 0.09 -0.62 0.00 0.00 0.00 175.10 175.01 3fki s ASP 900 N 1.57 4.45 0.46 3.32 -1.08 -1.20 -4.83 116.67 119.36 3fki s ASP 900 Ca 0.04 -2.10 0.30 0.00 -0.52 0.00 0.00 52.55 50.28 3fki s ASP 900 Cb -0.17 -1.37 1.18 0.00 -1.46 0.00 0.00 42.92 41.10 3fki s ASP 900 CO 0.04 -0.37 1.89 -0.07 0.52 0.00 0.00 175.17 177.17 3fki h LEU 901 N 7.62 0.00 -4.05 -1.34 3.38 -1.95 -3.10 115.31 115.87 3fki h LEU 901 Ca -0.07 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 3fki h LEU 901 Cb 1.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.54 3fki h LEU 901 CO 0.52 0.00 0.66 0.18 0.09 0.00 0.00 178.44 179.89 3fki n LEU 902 N -2.87 7.06 -3.57 1.67 4.77 -1.26 -2.52 117.00 120.27 3fki n LEU 902 Ca 0.01 -3.99 -0.14 0.00 -0.03 0.00 0.00 56.01 51.86 3fki n LEU 902 Cb 0.31 -1.06 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 3fki n LEU 902 CO 0.26 1.47 0.56 0.21 -1.33 0.00 0.00 177.39 178.56 3fki s ASN 903 N -0.67 -0.58 -0.01 -1.43 3.84 -1.22 -5.06 114.94 109.81 3fki s ASN 903 Ca 0.51 0.80 -0.04 0.00 0.21 0.00 0.00 52.86 54.33 3fki s ASN 903 Cb 0.39 0.70 -0.28 0.00 -0.55 0.00 0.00 41.25 41.51 3fki s ASN 903 CO -0.10 -0.42 0.81 0.74 -2.79 0.00 0.00 177.10 175.34 3fki h THR 904 N 3.16 1.09 0.00 -5.21 2.02 -1.89 -3.21 112.91 108.87 3fki h THR 904 Ca -0.25 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.20 3fki h THR 904 Cb 1.15 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 70.31 3fki h THR 904 CO 0.27 0.82 -0.56 0.44 0.37 0.00 0.00 175.52 176.85 3fki h ASP 905 N 0.07 0.00 -0.05 4.18 3.32 -1.97 -3.36 116.42 118.62 3fki h ASP 905 Ca -0.27 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3fki h ASP 905 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.58 3fki h ASP 905 CO 0.16 0.08 0.00 1.41 -1.72 0.00 0.00 179.24 179.17 3fki n HIS 906 N -2.22 0.06 -2.55 4.55 8.25 -1.26 -5.04 115.22 117.01 3fki n HIS 906 Ca 0.03 -0.34 -0.23 0.00 -0.26 0.00 0.00 57.72 56.92 3fki n HIS 906 Cb 0.45 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.57 3fki n HIS 906 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3fki s THR 907 N -0.75 2.87 0.01 1.59 -1.32 -1.17 -3.26 115.64 113.62 3fki s THR 907 Ca 0.04 -0.47 -0.30 0.00 -1.21 0.00 0.00 61.69 59.74 3fki s THR 907 Cb 0.02 -3.12 -0.05 0.00 -1.51 0.00 0.00 72.50 67.84 3fki s THR 907 CO 0.03 -0.10 1.33 -0.76 -2.21 0.00 0.00 174.62 172.91 3fki s LEU 908 N -4.88 4.33 0.14 9.08 1.43 -1.26 -4.99 118.68 122.53 3fki s LEU 908 Ca 0.56 2.07 -0.31 0.00 -1.03 0.00 0.00 54.13 55.42 3fki s LEU 908 Cb -0.10 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.45 3fki s LEU 908 CO 0.41 -0.64 1.64 -0.62 0.23 0.00 0.00 176.35 177.36 3fki s ASP 909 N 1.56 6.55 0.00 2.29 -1.08 -1.26 -4.85 116.67 119.88 3fki s ASP 909 Ca 0.61 2.62 0.00 0.00 -0.52 0.00 0.00 52.55 55.26 3fki s ASP 909 Cb -0.30 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.57 3fki s ASP 909 CO 0.27 -0.88 0.16 -0.81 0.52 0.00 0.00 175.17 174.43 3fki n PRO 910 N 4.64 0.00 0.00 4.34 -0.04 -1.26 -0.83 135.00 141.85 3fki n PRO 910 Ca 0.15 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 3fki n PRO 910 Cb 0.39 -1.16 0.31 0.00 -0.04 0.00 0.00 33.50 32.99 3fki n PRO 910 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3fki n SER 911 N -0.65 1.06 -0.12 3.54 3.41 -1.26 -4.17 113.62 115.42 3fki n SER 911 Ca 0.00 -0.87 -0.16 0.00 -0.26 0.00 0.00 58.87 57.58 3fki n SER 911 Cb 0.00 0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.03 3fki n SER 911 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fki n LEU 912 N -0.72 2.30 -4.22 1.04 4.77 -0.01 -3.79 117.00 116.37 3fki n LEU 912 Ca 0.11 -0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3fki n LEU 912 Cb 0.36 -0.59 -0.16 0.00 -2.33 0.00 0.00 43.42 40.70 3fki n LEU 912 CO 0.28 0.84 -0.54 -0.22 -1.33 0.00 0.00 177.39 176.42 3fki s LEU 913 N -6.29 2.02 0.17 2.23 2.96 -1.26 -0.66 118.68 117.85 3fki s LEU 913 Ca -0.29 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.10 3fki s LEU 913 Cb 0.08 -1.19 0.04 0.00 0.50 0.00 0.00 46.19 45.62 3fki s LEU 913 CO 0.65 0.23 1.54 -0.08 -1.32 0.00 0.00 176.35 177.37 3fki h GLU 914 N 5.96 0.89 -0.84 1.98 4.81 -1.60 -2.69 114.58 123.09 3fki h GLU 914 Ca -0.35 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.38 3fki h GLU 914 Cb 1.16 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3fki h GLU 914 CO 0.47 1.07 0.10 -1.13 -0.73 0.00 0.00 179.01 178.79 3fki n SER 915 N -4.08 3.48 -0.03 1.04 3.41 -1.26 -4.48 113.62 111.71 3fki n SER 915 Ca -0.01 -2.59 -0.16 0.00 -0.26 0.00 0.00 58.87 55.85 3fki n SER 915 Cb 0.50 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 3fki n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3fki h GLY 916 N 3.92 0.52 1.63 5.00 0.00 -1.78 -3.22 103.07 109.14 3fki h GLY 916 Ca 0.09 -0.75 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 3fki h GLY 916 CO 0.35 0.66 -0.31 1.48 0.00 0.00 0.00 176.54 178.72 3fki h SER 917 N 0.04 0.43 0.44 0.19 4.64 -1.80 -2.83 113.55 114.66 3fki h SER 917 Ca -0.03 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3fki h SER 917 Cb 1.12 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3fki h SER 917 CO 0.10 0.72 -0.12 -1.84 -0.87 0.00 0.00 176.83 174.82 3fki n GLU 918 N -4.09 0.56 -0.05 4.77 0.28 -1.25 -3.58 120.64 117.28 3fki n GLU 918 Ca -0.01 -0.18 -0.04 0.00 -0.16 0.00 0.00 57.16 56.77 3fki n GLU 918 Cb 0.44 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.67 3fki n GLU 918 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3fki n ILE 919 N -1.06 1.12 -1.49 3.84 5.41 -1.09 -4.88 119.36 121.22 3fki n ILE 919 Ca 0.13 -0.75 -0.43 0.00 1.00 0.00 0.00 62.75 62.70 3fki n ILE 919 Cb 0.28 -0.51 -0.09 0.00 -0.71 0.00 0.00 39.64 38.62 3fki n ILE 919 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3fki n LEU 920 N -2.73 1.38 0.00 1.39 0.00 -1.10 -0.85 117.00 115.09 3fki n LEU 920 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 56.01 55.84 3fki n LEU 920 Cb 0.97 -1.21 0.00 0.00 0.00 0.00 0.00 43.42 43.18 3fki n LEU 920 CO 0.44 -1.00 0.00 0.61 0.00 0.00 0.00 177.39 177.43 3fki n GLY 921 N 6.41 0.75 3.69 -3.96 0.00 -1.05 -5.03 105.19 106.01 3fki n GLY 921 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 3fki n GLY 921 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fki s ASP 922 N -1.85 6.84 0.07 1.61 -1.08 -0.03 -4.93 116.67 117.31 3fki s ASP 922 Ca 0.00 2.17 -0.14 0.00 -0.52 0.00 0.00 52.55 54.06 3fki s ASP 922 Cb 0.00 -2.57 -0.22 0.00 -1.46 0.00 0.00 42.92 38.68 3fki s ASP 922 CO 0.00 -0.70 1.21 0.25 0.52 0.00 0.00 175.17 176.44 3fki h LEU 923 N 8.00 0.89 -1.14 -1.34 6.46 -1.98 -3.02 115.31 123.18 3fki h LEU 923 Ca -0.39 -0.71 -0.05 0.00 -0.12 0.00 0.00 57.88 56.60 3fki h LEU 923 Cb 1.19 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 3fki h LEU 923 CO 0.89 1.48 0.04 0.11 -0.62 0.00 0.00 178.44 180.35 3fki h LYS 924 N 0.39 0.64 0.00 1.25 1.57 -2.00 -2.97 116.57 115.45 3fki h LYS 924 Ca -0.11 -0.14 -0.21 0.00 -1.87 0.00 0.00 60.65 58.33 3fki h LYS 924 Cb 1.60 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.78 3fki h LYS 924 CO 0.19 0.63 -1.04 -0.07 -0.57 0.00 0.00 179.45 178.59 3fki h LEU 925 N 0.61 0.00 -1.05 2.94 3.38 -1.97 -3.28 115.31 115.95 3fki h LEU 925 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3fki h LEU 925 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3fki h LEU 925 CO 0.01 0.94 -0.41 -0.61 0.09 0.00 0.00 178.44 178.46 3fki h GLN 926 N 0.00 0.13 -0.46 1.13 5.75 -1.40 -1.53 115.11 118.74 3fki h GLN 926 Ca -0.04 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3fki h GLN 926 Cb 1.76 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.28 3fki h GLN 926 CO 0.12 0.52 0.25 0.28 -2.65 0.00 0.00 178.83 177.35 3fki h VAL 927 N 0.11 1.16 -0.02 2.39 2.07 -1.58 0.25 116.25 120.64 3fki h VAL 927 Ca 0.01 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 3fki h VAL 927 Cb 0.77 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3fki h VAL 927 CO 0.06 0.17 -0.46 -0.07 0.02 0.00 0.00 177.57 177.29 3fki h LEU 928 N 0.60 0.04 -0.29 2.57 3.38 -1.59 -1.94 115.31 118.08 3fki h LEU 928 Ca 0.16 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 3fki h LEU 928 Cb 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fki h LEU 928 CO -0.03 0.49 -0.84 -0.07 0.09 0.00 0.00 178.44 178.09 3fki h LEU 929 N 0.03 0.48 -0.80 1.67 3.38 -0.88 -3.01 115.31 116.18 3fki h LEU 929 Ca -0.00 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 3fki h LEU 929 Cb 0.82 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3fki h LEU 929 CO 0.06 1.12 -0.40 0.44 0.09 0.00 0.00 178.44 179.75 3fki h ASP 930 N 0.24 0.43 0.73 -0.43 3.32 -0.37 -2.25 116.42 118.08 3fki h ASP 930 Ca -0.05 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3fki h ASP 930 Cb 1.45 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3fki h ASP 930 CO 0.14 0.79 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.08 3fki h GLU 931 N 0.34 0.00 0.11 3.56 5.08 -1.34 0.14 114.58 122.48 3fki h GLU 931 Ca 0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 3fki h GLU 931 Cb 0.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 3fki h GLU 931 CO 0.07 0.04 -0.99 1.49 -1.00 0.00 0.00 179.01 178.62 3fki h GLU 932 N 0.00 0.24 -0.26 2.33 4.81 -1.35 -3.26 114.58 117.10 3fki h GLU 932 Ca -0.00 -0.41 -0.17 0.00 -0.13 0.00 0.00 59.36 58.65 3fki h GLU 932 Cb 0.42 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3fki h GLU 932 CO 0.01 1.20 -0.50 -0.92 -0.73 0.00 0.00 179.01 178.06 3fki h TYR 933 N -0.43 1.00 0.00 0.92 3.20 -1.20 -2.66 116.97 117.80 3fki h TYR 933 Ca -0.20 -0.36 -0.03 0.00 3.14 0.00 0.00 58.73 61.28 3fki h TYR 933 Cb 1.62 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.70 3fki h TYR 933 CO 0.17 1.17 -0.15 -0.22 -1.64 0.00 0.00 178.16 177.49 3fki h LYS 934 N 0.54 0.00 -0.27 1.82 1.63 -0.92 -1.49 116.57 117.89 3fki h LYS 934 Ca 0.01 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.64 3fki h LYS 934 Cb 1.11 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.74 3fki h LYS 934 CO 0.11 0.15 -0.52 0.37 -3.45 0.00 0.00 179.45 176.12 3fki h GLN 935 N 0.00 0.77 -0.10 1.90 5.75 -1.56 -2.46 115.11 119.41 3fki h GLN 935 Ca -0.00 -0.47 -0.09 0.00 -0.15 0.00 0.00 58.65 57.93 3fki h GLN 935 Cb 0.32 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3fki h GLN 935 CO 0.02 1.10 -0.37 -0.07 -2.65 0.00 0.00 178.83 176.86 3fki h LEU 936 N 0.60 0.21 -0.48 -2.39 3.38 -0.95 -0.12 115.31 115.57 3fki h LEU 936 Ca 0.02 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3fki h LEU 936 Cb 1.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3fki h LEU 936 CO 0.11 0.57 -0.65 0.58 0.09 0.00 0.00 178.44 179.13 3fki h VAL 937 N 0.18 1.36 -0.38 1.22 2.07 -1.36 -0.24 116.25 119.10 3fki h VAL 937 Ca 0.02 -2.00 -0.09 0.00 0.82 0.00 0.00 66.70 65.44 3fki h VAL 937 Cb 0.73 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3fki h VAL 937 CO 0.06 0.61 -0.15 0.50 0.02 0.00 0.00 177.57 178.61 3fki h LYS 938 N 0.31 0.69 -0.12 1.57 3.64 -1.04 -2.64 116.57 118.98 3fki h LYS 938 Ca -0.02 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 3fki h LYS 938 Cb 1.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3fki h LYS 938 CO 0.11 0.80 -0.45 -0.44 -2.27 0.00 0.00 179.45 177.20 3fki h ASP 939 N 0.62 0.32 -0.47 4.20 5.19 -0.86 -1.65 116.42 123.76 3fki h ASP 939 Ca 0.10 -0.14 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3fki h ASP 939 Cb 0.60 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 3fki h ASP 939 CO 0.04 0.73 0.26 -0.09 -3.12 0.00 0.00 179.24 177.06 3fki h ARG 940 N 0.24 0.51 0.11 3.56 9.65 -0.68 -1.70 114.38 126.07 3fki h ARG 940 Ca 0.02 -0.03 -0.30 0.00 -1.10 0.00 0.00 59.98 58.57 3fki h ARG 940 Cb 0.90 -0.11 0.03 0.00 -1.39 0.00 0.00 29.97 29.39 3fki h ARG 940 CO 0.07 0.34 -1.24 0.87 2.80 0.00 0.00 179.97 182.81 3fki h LYS 941 N 0.52 0.64 -0.61 0.20 1.79 -1.49 -3.08 116.57 114.54 3fki h LYS 941 Ca 0.20 -0.84 0.05 0.00 -2.18 0.00 0.00 60.65 57.88 3fki h LYS 941 Cb 0.06 0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 3fki h LYS 941 CO -0.11 1.38 0.34 0.35 -1.08 0.00 0.00 179.45 180.33 3fki h PHE 942 N 0.29 0.63 -0.00 -1.35 3.57 -1.18 0.70 116.94 119.61 3fki h PHE 942 Ca -0.19 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.18 3fki h PHE 942 Cb 1.91 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.43 3fki h PHE 942 CO 0.11 0.32 -0.74 -0.07 -2.23 0.00 0.00 178.31 175.71 3fki h LEU 943 N 0.65 0.01 -0.26 0.59 3.38 -1.43 -2.84 115.31 115.41 3fki h LEU 943 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3fki h LEU 943 Cb 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fki h LEU 943 CO -0.15 0.74 0.00 0.03 0.09 0.00 0.00 178.44 179.15 3fki h ARG 944 N 0.01 0.00 0.00 1.13 3.08 -1.34 0.25 114.38 117.51 3fki h ARG 944 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fki h ARG 944 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3fki h ARG 944 CO 0.10 0.00 -0.06 0.93 -1.07 0.00 0.00 179.97 179.86 3fki h GLU 945 N 0.00 0.00 0.00 0.04 5.08 -0.64 -3.38 114.58 115.68 3fki h GLU 945 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3fki h GLU 945 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3fki h GLU 945 CO 0.00 0.00 -1.10 0.28 -1.00 0.00 0.00 179.01 177.19 3fki n VAL 946 N -2.60 1.46 -3.20 3.13 0.31 -1.03 -4.84 118.33 111.55 3fki n VAL 946 Ca 0.05 0.10 -0.46 0.00 -0.01 0.00 0.00 64.34 64.02 3fki n VAL 946 Cb 0.47 -2.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.16 3fki n VAL 946 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3fki s PHE 947 N -2.78 3.52 0.34 3.52 0.40 0.86 -4.87 117.98 118.97 3fki s PHE 947 Ca -0.27 -1.74 0.11 0.00 -0.60 0.00 0.00 56.93 54.42 3fki s PHE 947 Cb 0.05 -3.96 0.59 0.00 0.51 0.00 0.00 43.02 40.21 3fki s PHE 947 CO 0.40 -1.15 1.76 0.28 0.70 0.00 0.00 175.22 177.21 3fki h VAL 948 N 5.18 1.31 -0.50 -0.44 2.07 -1.82 -2.91 116.25 119.13 3fki h VAL 948 Ca 0.08 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3fki h VAL 948 Cb 1.04 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3fki h VAL 948 CO 0.88 0.43 0.29 0.44 0.02 0.00 0.00 177.57 179.63 3fki h ASP 949 N 0.05 0.60 0.00 0.57 3.32 -1.89 -3.46 116.42 115.61 3fki h ASP 949 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3fki h ASP 949 Cb 0.77 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3fki h ASP 949 CO 0.06 0.47 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 3fki n GLY 950 N -1.34 0.53 3.67 2.75 0.00 -1.10 -4.78 105.19 104.91 3fki n GLY 950 Ca 0.04 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 3fki n GLY 950 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fki s GLU 951 N -1.90 4.23 0.03 1.61 2.56 -1.26 -4.81 118.70 119.16 3fki s GLU 951 Ca 0.00 1.92 -0.18 0.00 0.00 0.00 0.00 54.97 56.71 3fki s GLU 951 Cb 0.00 -3.79 -0.24 0.00 2.00 0.00 0.00 34.13 32.10 3fki s GLU 951 CO 0.00 -0.72 1.12 0.00 -0.56 0.00 0.00 175.26 175.10 3fki h ALA 952 N 8.56 0.08 -2.21 6.30 0.00 -1.95 -3.45 119.26 126.58 3fki h ALA 952 Ca -0.34 -0.63 -0.57 0.00 0.00 0.00 0.00 54.91 53.36 3fki h ALA 952 Cb 1.15 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3fki h ALA 952 CO 0.95 0.49 0.62 -0.80 0.00 0.00 0.00 179.25 180.51 3fki s ASN 953 N -6.99 7.10 -0.05 0.00 0.01 -1.26 -0.37 114.94 113.38 3fki s ASN 953 Ca -0.12 1.36 -0.08 0.00 -0.71 0.00 0.00 52.86 53.32 3fki s ASN 953 Cb 0.05 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.20 3fki s ASN 953 CO 0.86 -0.54 0.19 0.26 -1.51 0.00 0.00 177.10 176.37 3fki s TRP 954 N 2.59 -0.14 -0.16 2.20 0.52 -0.76 -4.95 118.94 118.24 3fki s TRP 954 Ca 0.44 0.31 -0.29 0.00 0.02 0.00 0.00 56.10 56.58 3fki s TRP 954 Cb -0.16 0.04 -0.07 0.00 -1.15 0.00 0.00 33.47 32.13 3fki s TRP 954 CO 0.11 -0.18 2.15 -0.35 0.02 0.00 0.00 176.95 178.70 3fki n PRO 955 N 2.38 2.16 -3.86 4.98 -0.04 -1.26 -2.85 135.00 136.51 3fki n PRO 955 Ca -0.16 0.66 -0.12 0.00 -0.04 0.00 0.00 63.50 63.84 3fki n PRO 955 Cb 0.57 -3.12 -0.13 0.00 -0.04 0.00 0.00 33.50 30.78 3fki n PRO 955 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fki s LEU 956 N 7.15 1.79 0.72 1.53 1.43 -0.86 -4.94 118.68 125.50 3fki s LEU 956 Ca 0.98 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 54.02 3fki s LEU 956 Cb -0.40 0.20 0.04 0.00 0.03 0.00 0.00 46.19 46.06 3fki s LEU 956 CO 0.38 -0.03 1.18 -2.16 0.23 0.00 0.00 176.35 175.95 3fki s PRO 957 N -0.04 2.24 0.05 1.29 0.04 -1.26 -2.75 135.00 134.57 3fki s PRO 957 Ca -0.01 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3fki s PRO 957 Cb -0.01 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3fki s PRO 957 CO 0.00 -1.73 0.00 0.28 0.04 0.00 0.00 177.00 175.59 3fki n VAL 958 N -2.73-11.68 -2.39 -0.36 0.31 -1.19 -4.91 118.33 95.38 3fki n VAL 958 Ca 0.13 2.71 -0.43 0.00 -0.01 0.00 0.00 64.34 66.74 3fki n VAL 958 Cb 0.51 -5.51 -0.02 0.00 -0.91 0.00 0.00 33.84 27.90 3fki n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3fki s ASN 959 N -0.49 6.92 -0.11 4.52 3.84 -1.26 -4.89 114.94 123.46 3fki s ASN 959 Ca 0.00 1.73 0.19 0.00 0.21 0.00 0.00 52.86 54.99 3fki s ASN 959 Cb 0.00 -2.54 -0.26 0.00 -0.55 0.00 0.00 41.25 37.90 3fki s ASN 959 CO 0.00 -0.78 0.31 -0.38 -2.79 0.00 0.00 177.10 173.45 3fki n ILE 960 N 5.40 0.95 -0.08 -5.21 5.41 -1.26 -3.62 119.36 120.94 3fki n ILE 960 Ca 0.14 -0.73 -0.09 0.00 1.00 0.00 0.00 62.75 63.07 3fki n ILE 960 Cb 0.45 -0.37 -0.02 0.00 -0.71 0.00 0.00 39.64 38.99 3fki n ILE 960 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3fki h ARG 961 N 0.00 0.38 0.00 0.38 2.43 -2.01 -3.03 114.38 112.54 3fki h ARG 961 Ca -0.33 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.68 3fki h ARG 961 Cb 1.78 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.22 3fki h ARG 961 CO 0.02 0.25 -0.80 0.00 -1.51 0.00 0.00 179.97 177.94 3fki h ARG 962 N 0.39 0.00 0.00 0.20 3.08 -1.96 -2.51 114.38 113.58 3fki h ARG 962 Ca 0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3fki h ARG 962 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3fki h ARG 962 CO -0.02 0.56 -0.12 0.97 -1.07 0.00 0.00 179.97 180.28 3fki h ILE 963 N 0.00 0.35 0.03 2.04 2.10 -1.61 -1.74 117.51 118.69 3fki h ILE 963 Ca -0.04 -0.76 -0.37 0.00 1.08 0.00 0.00 64.86 64.77 3fki h ILE 963 Cb 1.52 1.57 -0.05 0.00 -1.09 0.00 0.00 36.82 38.76 3fki h ILE 963 CO 0.07 0.12 -2.22 -0.38 -1.08 0.00 0.00 178.15 174.66 3fki n ILE 964 N -3.32 1.57 -0.28 2.19 5.41 -1.15 -3.89 119.36 119.88 3fki n ILE 964 Ca -0.00 -0.68 0.09 0.00 1.00 0.00 0.00 62.75 63.15 3fki n ILE 964 Cb 0.34 -1.26 0.32 0.00 -0.71 0.00 0.00 39.64 38.33 3fki n ILE 964 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3fki h GLN 965 N 0.02 0.79 -0.14 0.38 4.20 -1.23 -1.62 115.11 117.51 3fki h GLN 965 Ca -0.49 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 3fki h GLN 965 Cb 2.02 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.62 3fki h GLN 965 CO 0.01 0.52 -0.06 -0.91 -0.67 0.00 0.00 178.83 177.72 3fki h ASN 966 N 0.82 0.29 -0.48 1.46 2.35 -1.51 -3.25 115.58 115.24 3fki h ASN 966 Ca 0.43 -0.40 0.11 0.00 -0.55 0.00 0.00 56.30 55.88 3fki h ASN 966 Cb 0.53 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3fki h ASN 966 CO -0.19 0.62 0.34 0.00 -1.65 0.00 0.00 177.43 176.55 3fki h ALA 967 N 0.67 2.22 -0.08 -0.83 0.00 -1.44 0.34 119.26 120.14 3fki h ALA 967 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3fki h ALA 967 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fki h ALA 967 CO 0.02 -0.34 -0.35 1.96 0.00 0.00 0.00 179.25 180.54 3fki h GLN 968 N 0.18 0.15 0.00 0.00 4.20 -1.38 -3.27 115.11 114.99 3fki h GLN 968 Ca 0.23 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3fki h GLN 968 Cb 0.66 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3fki h GLN 968 CO -0.04 0.49 -0.77 0.00 -0.67 0.00 0.00 178.83 177.84 3fki n GLN 969 N -4.09 2.71 0.07 1.46 10.64 -0.57 -2.55 117.38 125.05 3fki n GLN 969 Ca -0.01 -0.03 -0.06 0.00 -1.83 0.00 0.00 57.00 55.06 3fki n GLN 969 Cb 0.42 -0.98 0.10 0.00 -0.86 0.00 0.00 30.24 28.91 3fki n GLN 969 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3fki h THR 970 N 0.00 1.38 0.00 -0.39 2.02 -0.47 -3.16 112.91 112.28 3fki h THR 970 Ca 0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.20 3fki h THR 970 Cb 0.24 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3fki h THR 970 CO 0.00 0.59 -0.95 0.49 0.37 0.00 0.00 175.52 176.02 3fki n PHE 971 N -3.88 0.00 -3.15 3.16 3.01 -1.23 -5.03 117.46 110.34 3fki n PHE 971 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.33 3fki n PHE 971 Cb 0.63 -0.05 0.01 0.00 -0.01 0.00 0.00 39.48 40.06 3fki n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3fki n HIS 972 N -1.52 -2.98 -4.08 1.38 8.25 -1.20 -5.00 115.22 110.08 3fki n HIS 972 Ca 0.04 1.18 -0.35 0.00 -0.26 0.00 0.00 57.72 58.33 3fki n HIS 972 Cb 0.34 -3.66 -0.11 0.00 1.12 0.00 0.00 29.99 27.68 3fki n HIS 972 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fki s ILE 973 N -2.71 4.39 0.50 1.59 1.01 -1.06 -5.04 121.20 119.89 3fki s ILE 973 Ca 0.12 -0.17 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 3fki s ILE 973 Cb -0.03 -2.98 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 3fki s ILE 973 CO 0.79 0.44 0.97 1.51 0.00 0.00 0.00 174.94 178.66 3fki s ASP 974 N 0.65 6.65 -0.30 3.58 -4.77 -1.26 -4.94 116.67 116.27 3fki s ASP 974 Ca 0.01 1.56 0.02 0.00 -3.30 0.00 0.00 52.55 50.85 3fki s ASP 974 Cb -0.14 -2.50 0.38 0.00 -1.09 0.00 0.00 42.92 39.57 3fki s ASP 974 CO 0.02 -0.56 1.66 1.41 0.70 0.00 0.00 175.17 178.39 3fki n HIS 975 N -1.49 1.89 0.04 2.11 8.25 -1.26 -4.27 115.22 120.49 3fki n HIS 975 Ca 0.06 -1.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 3fki n HIS 975 Cb 0.54 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.89 3fki n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fki n THR 976 N -0.39 0.39 -2.47 1.59 -2.24 -1.26 -5.08 114.28 104.82 3fki n THR 976 Ca 0.37 0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.87 3fki n THR 976 Cb 1.09 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.11 3fki n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3fki s LYS 977 N -2.00 4.58 0.91 -0.78 1.02 -1.26 -4.91 119.74 117.30 3fki s LYS 977 Ca 0.00 1.78 -0.12 0.00 0.02 0.00 0.00 55.97 57.66 3fki s LYS 977 Cb 0.00 -3.24 0.14 0.00 -0.52 0.00 0.00 37.83 34.21 3fki s LYS 977 CO 0.00 0.07 1.09 -1.25 -0.92 0.00 0.00 175.35 174.35 3fki s PRO 978 N -0.66 1.12 0.78 -1.68 0.04 -1.25 -4.92 135.00 128.44 3fki s PRO 978 Ca 0.49 0.80 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 3fki s PRO 978 Cb -0.31 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.58 3fki s PRO 978 CO 0.37 -2.33 1.08 0.45 0.04 0.00 0.00 177.00 176.61 3fki s SER 979 N -3.39 4.07 0.00 6.66 0.15 0.16 -4.85 113.70 116.50 3fki s SER 979 Ca 0.64 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.17 3fki s SER 979 Cb -0.18 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 3fki s SER 979 CO 0.57 -2.07 0.77 -0.90 1.20 0.00 0.00 173.24 172.81 3fki n ASP 980 N -3.09 1.44 -4.62 5.45 5.75 -1.26 -1.80 116.55 118.42 3fki n ASP 980 Ca 0.14 -1.58 -0.43 0.00 -0.01 0.00 0.00 54.79 52.92 3fki n ASP 980 Cb 0.60 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.67 3fki n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3fki s LEU 981 N -0.58 3.76 0.61 -2.12 1.43 -1.26 -4.90 118.68 115.61 3fki s LEU 981 Ca 0.00 1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 54.01 3fki s LEU 981 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3fki s LEU 981 CO 0.00 -1.24 1.15 -0.89 0.23 0.00 0.00 176.35 175.59 3fki s THR 982 N 4.89 3.00 0.46 5.49 2.01 -1.26 -4.88 115.64 125.34 3fki s THR 982 Ca 0.60 0.56 0.11 0.00 0.31 0.00 0.00 61.69 63.27 3fki s THR 982 Cb -0.16 -3.15 0.26 0.00 0.01 0.00 0.00 72.50 69.46 3fki s THR 982 CO 0.28 -0.20 2.09 0.40 -0.69 0.00 0.00 174.62 176.50 3fki h ILE 983 N 0.63 1.06 0.00 1.82 2.04 -1.97 -0.03 117.51 121.06 3fki h ILE 983 Ca -0.49 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3fki h ILE 983 Cb 1.27 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3fki h ILE 983 CO 0.55 0.07 -0.20 0.50 0.00 0.00 0.00 178.15 179.06 3fki h LYS 984 N 0.27 0.00 0.16 2.37 3.64 -1.98 -2.26 116.57 118.77 3fki h LYS 984 Ca 0.07 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.22 3fki h LYS 984 Cb 0.01 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3fki h LYS 984 CO -0.01 0.20 -1.03 -0.44 -2.27 0.00 0.00 179.45 175.91 3fki h ASP 985 N 0.00 0.62 0.27 4.20 3.32 -1.39 -3.30 116.42 120.14 3fki h ASP 985 Ca -0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 57.03 56.11 3fki h ASP 985 Cb 0.46 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3fki h ASP 985 CO 0.03 1.49 -0.13 0.40 -1.72 0.00 0.00 179.24 179.31 3fki h ILE 986 N -0.15 0.46 -0.14 0.35 2.04 -1.23 -2.15 117.51 116.69 3fki h ILE 986 Ca -0.17 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 3fki h ILE 986 Cb 1.79 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3fki h ILE 986 CO 0.19 0.12 -0.32 0.58 0.00 0.00 0.00 178.15 178.72 3fki h VAL 987 N -0.98 1.27 0.13 1.67 2.07 -1.63 -2.71 116.25 116.07 3fki h VAL 987 Ca -0.04 -1.31 -0.28 0.00 0.82 0.00 0.00 66.70 65.89 3fki h VAL 987 Cb 0.47 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3fki h VAL 987 CO 0.06 0.40 -1.23 -0.07 0.02 0.00 0.00 177.57 176.75 3fki h LEU 988 N 0.23 0.51 -1.39 2.57 3.38 -1.69 -3.18 115.31 115.74 3fki h LEU 988 Ca 0.03 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3fki h LEU 988 Cb 0.69 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3fki h LEU 988 CO 0.05 1.39 0.21 1.23 0.09 0.00 0.00 178.44 181.41 3fki h GLY 989 N 1.31 0.67 1.01 0.83 0.00 -1.18 0.41 103.07 106.11 3fki h GLY 989 Ca -0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3fki h GLY 989 CO 0.21 0.29 -0.41 -2.08 0.00 0.00 0.00 176.54 174.55 3fki h VAL 990 N 0.63 1.30 -0.09 4.60 2.07 -1.59 -2.41 116.25 120.77 3fki h VAL 990 Ca 0.16 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 65.95 3fki h VAL 990 Cb 0.07 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3fki h VAL 990 CO -0.02 0.51 -0.49 0.50 0.02 0.00 0.00 177.57 178.09 3fki h LYS 991 N 0.45 0.23 -0.01 1.57 3.64 -1.43 -2.64 116.57 118.39 3fki h LYS 991 Ca 0.02 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3fki h LYS 991 Cb 1.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3fki h LYS 991 CO 0.09 0.67 -0.62 -0.44 -2.27 0.00 0.00 179.45 176.88 3fki h ASP 992 N 0.19 0.02 -0.36 4.20 3.32 -0.96 -3.19 116.42 119.64 3fki h ASP 992 Ca 0.01 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3fki h ASP 992 Cb 0.93 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3fki h ASP 992 CO 0.08 0.64 -0.21 0.25 -1.72 0.00 0.00 179.24 178.27 3fki h LEU 993 N 0.02 0.87 -2.39 1.55 5.85 -1.11 -2.93 115.31 117.17 3fki h LEU 993 Ca -0.01 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3fki h LEU 993 Cb 1.11 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3fki h LEU 993 CO 0.08 1.05 -0.02 1.56 -0.34 0.00 0.00 178.44 180.77 3fki h GLN 994 N 0.74 0.00 -0.00 1.25 4.20 -1.46 -0.87 115.11 118.97 3fki h GLN 994 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3fki h GLN 994 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3fki h GLN 994 CO 0.06 0.02 -0.20 0.39 -0.67 0.00 0.00 178.83 178.44 3fki n GLU 995 N -3.28 0.18 -0.01 1.46 -0.58 -1.11 -3.81 120.64 113.50 3fki n GLU 995 Ca -0.02 -0.06 0.09 0.00 -0.42 0.00 0.00 57.16 56.75 3fki n GLU 995 Cb 0.16 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.40 3fki n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3fki n ASN 996 N -1.36 0.81 -3.62 1.62 4.13 -0.34 -4.74 115.26 111.76 3fki n ASN 996 Ca 0.08 -0.35 -0.41 0.00 1.68 0.00 0.00 54.58 55.58 3fki n ASN 996 Cb 0.32 1.52 -0.01 0.00 -1.54 0.00 0.00 39.78 40.07 3fki n ASN 996 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3fki n LEU 997 N -1.86 7.08 -4.69 3.41 4.77 -1.13 -4.94 117.00 119.64 3fki n LEU 997 Ca -0.01 -4.08 -0.40 0.00 -0.03 0.00 0.00 56.01 51.49 3fki n LEU 997 Cb 0.40 -1.59 -0.05 0.00 -2.33 0.00 0.00 43.42 39.86 3fki n LEU 997 CO 0.38 1.22 0.47 -0.76 -1.33 0.00 0.00 177.39 177.37 3fki s LEU 998 N 1.63 4.23 -0.23 2.23 1.02 -1.26 -4.94 118.68 121.36 3fki s LEU 998 Ca 0.53 1.12 -0.16 0.00 0.02 0.00 0.00 54.13 55.63 3fki s LEU 998 Cb 0.15 -3.10 -0.09 0.00 0.02 0.00 0.00 46.19 43.16 3fki s LEU 998 CO -0.07 -0.25 -0.32 0.52 0.02 0.00 0.00 176.35 176.25 3fki n VAL 999 N 4.32 1.51 -3.78 -1.59 0.31 -1.26 -4.90 118.33 112.94 3fki n VAL 999 Ca 0.01 -0.12 -0.37 0.00 -0.01 0.00 0.00 64.34 63.86 3fki n VAL 999 Cb 0.50 -2.12 -0.13 0.00 -0.91 0.00 0.00 33.84 31.19 3fki n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3fki s LEU 1000N -7.73 3.55 -0.48 7.52 1.43 -1.26 -5.04 118.68 116.66 3fki s LEU 1000Ca -0.33 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 3fki s LEU 1000Cb 0.09 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 3fki s LEU 1000CO 0.46 -0.10 1.72 -0.13 0.23 0.00 0.00 176.35 178.52 3fki s ARG 1001N 1.55 3.09 0.51 1.70 1.81 -1.26 -4.90 118.95 121.45 3fki s ARG 1001Ca 0.05 0.91 0.09 0.00 -1.72 0.00 0.00 55.73 55.05 3fki s ARG 1001Cb -0.16 -4.24 0.05 0.00 -0.45 0.00 0.00 34.95 30.16 3fki s ARG 1001CO 0.02 -2.17 0.70 0.20 -0.68 0.00 0.00 175.30 173.37 3fki s GLY 1002N 6.35 1.83 0.00 -3.53 0.00 -1.26 -5.04 107.32 105.67 3fki s GLY 1002Ca 0.69 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3fki s GLY 1002CO 0.27 -1.59 0.00 1.17 0.00 0.00 0.00 173.10 172.96 3fki n LYS 1003N -2.09 0.00 0.00 2.90 3.00 -1.26 -4.99 118.16 115.72 3fki n LYS 1003Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3fki n LYS 1003Cb 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 35.03 35.31 3fki n LYS 1003CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3fki n ASN 1004N -0.96 0.53 0.07 3.14 6.94 -1.26 -5.03 115.26 118.70 3fki n ASN 1004Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.51 3fki n ASN 1004Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 3fki n ASN 1004CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3fki h GLU 1005N 0.00 -0.27 0.10 -3.83 4.57 -2.01 -3.31 114.58 109.82 3fki h GLU 1005Ca 0.00 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3fki h GLU 1005Cb 0.00 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3fki h GLU 1005CO 0.00 -0.12 -0.26 0.82 -1.18 0.00 0.00 179.01 178.28 3fki h ILE 1006N -1.06 0.43 -0.71 2.32 2.04 -1.98 0.43 117.51 118.99 3fki h ILE 1006Ca -0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3fki h ILE 1006Cb 0.28 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3fki h ILE 1006CO 0.05 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.79 3fki h ILE 1007N -0.45 1.26 0.00 -0.67 2.04 -1.98 0.27 117.51 117.98 3fki h ILE 1007Ca 0.04 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.87 3fki h ILE 1007Cb 0.49 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3fki h ILE 1007CO -0.16 0.36 -0.43 1.56 0.00 0.00 0.00 178.15 179.48 3fki h GLN 1008N 1.06 0.00 -0.01 2.37 1.08 -1.59 0.19 115.11 118.21 3fki h GLN 1008Ca 0.23 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.24 3fki h GLN 1008Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 3fki h GLN 1008CO -0.00 0.43 -0.83 -0.97 -0.95 0.00 0.00 178.83 176.51 3fki h ASN 1009N 0.00 0.27 1.19 1.46 -0.73 0.61 -2.89 115.58 115.49 3fki h ASN 1009Ca -0.00 -0.21 -0.12 0.00 1.87 0.00 0.00 56.30 57.84 3fki h ASN 1009Cb 0.79 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 3fki h ASN 1009CO 0.06 0.98 -0.58 0.00 -0.37 0.00 0.00 177.43 177.52 3fki h ALA 1010N 1.00 0.70 -0.70 1.57 0.00 -0.26 -3.20 119.26 118.37 3fki h ALA 1010Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3fki h ALA 1010Cb 1.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3fki h ALA 1010CO 0.13 0.72 0.44 0.37 0.00 0.00 0.00 179.25 180.91 3fki h GLN 1011N 0.00 0.94 -0.36 0.00 5.75 -0.53 -1.00 115.11 119.92 3fki h GLN 1011Ca -0.01 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 3fki h GLN 1011Cb 1.32 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.63 3fki h GLN 1011CO 0.07 0.65 0.10 0.00 -2.65 0.00 0.00 178.83 177.01 3fki h ARG 1012N 0.96 0.23 -0.15 1.69 3.08 -1.51 -2.85 114.38 115.83 3fki h ARG 1012Ca 0.26 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 3fki h ARG 1012Cb -0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3fki h ARG 1012CO -0.05 0.15 -0.29 -0.44 -1.07 0.00 0.00 179.97 178.27 3fki h ASP 1013N 0.24 0.29 0.59 7.04 3.32 -1.49 -2.22 116.42 124.18 3fki h ASP 1013Ca 0.17 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3fki h ASP 1013Cb 0.16 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3fki h ASP 1013CO -0.19 0.58 -0.53 0.00 -1.72 0.00 0.00 179.24 177.38 3fki h ALA 1014N 1.44 1.07 0.00 3.45 0.00 -0.96 -3.26 119.26 121.00 3fki h ALA 1014Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3fki h ALA 1014Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fki h ALA 1014CO 0.05 0.66 -0.92 0.28 0.00 0.00 0.00 179.25 179.32 3fki n VAL 1015N -3.83 0.00 -0.34 0.00 0.31 -1.15 -4.74 118.33 108.59 3fki n VAL 1015Ca -0.01 -0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 3fki n VAL 1015Cb 0.55 0.79 0.04 0.00 -0.91 0.00 0.00 33.84 34.32 3fki n VAL 1015CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3fki n THR 1016N -1.50 -0.46 -0.22 2.52 -1.04 -0.84 -0.91 114.28 111.82 3fki n THR 1016Ca 0.01 2.07 -0.08 0.00 -2.04 0.00 0.00 64.05 64.01 3fki n THR 1016Cb 0.26 -2.74 0.04 0.00 -1.82 0.00 0.00 70.33 66.07 3fki n THR 1016CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fki h LEU 1017N 0.00 1.06 -1.07 -4.42 5.85 -1.85 -2.38 115.31 112.50 3fki h LEU 1017Ca 0.31 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3fki h LEU 1017Cb 0.53 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fki h LEU 1017CO -0.88 1.08 0.05 0.15 -0.34 0.00 0.00 178.44 178.51 3fki h PHE 1018N 1.01 0.75 -0.58 1.25 3.57 -1.36 -2.60 116.94 118.98 3fki h PHE 1018Ca 0.19 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3fki h PHE 1018Cb 0.51 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3fki h PHE 1018CO 0.04 0.67 0.07 0.00 -2.23 0.00 0.00 178.31 176.86 3fki h LEU 1021N 1.08 0.50 -0.34 0.00 5.85 -1.30 -2.32 115.31 118.78 3fki h LEU 1021Ca 0.26 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3fki h LEU 1021Cb 0.12 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3fki h LEU 1021CO -0.03 0.97 0.01 0.25 -0.34 0.00 0.00 178.44 179.30 3fki h LEU 1022N 0.34 0.58 -0.90 2.25 5.85 -0.48 -2.84 115.31 120.10 3fki h LEU 1022Ca -0.00 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.32 3fki h LEU 1022Cb 1.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3fki h LEU 1022CO 0.10 0.74 -0.48 0.03 -0.34 0.00 0.00 178.44 178.50 3fki h ARG 1023N 0.40 0.00 0.00 1.25 3.08 -0.90 -0.58 114.38 117.63 3fki h ARG 1023Ca 0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 3fki h ARG 1023Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3fki h ARG 1023CO 0.02 0.48 -0.28 1.03 -1.07 0.00 0.00 179.97 180.15 3fki h SER 1024N 0.00 0.00 0.00 7.04 0.87 -1.25 -3.13 113.55 117.08 3fki h SER 1024Ca -0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 3fki h SER 1024Cb 0.96 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 3fki h SER 1024CO 0.06 0.28 -2.12 0.54 -0.53 0.00 0.00 176.83 175.05 3fki n ARG 1025N -3.80 1.11 -1.64 2.24 5.12 -1.09 -4.60 116.66 113.99 3fki n ARG 1025Ca -0.01 0.03 -0.35 0.00 -1.93 0.00 0.00 57.85 55.59 3fki n ARG 1025Cb 0.37 -1.41 0.06 0.00 -1.16 0.00 0.00 32.46 30.31 3fki n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3fki n LEU 1026N -2.75 7.21 -4.87 0.55 4.77 -0.24 -4.43 117.00 117.24 3fki n LEU 1026Ca -0.29 -4.55 -0.31 0.00 -0.03 0.00 0.00 56.01 50.83 3fki n LEU 1026Cb 0.98 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3fki n LEU 1026CO 0.30 1.66 0.38 0.00 -1.33 0.00 0.00 177.39 178.40 3fki s ALA 1027N -3.86 3.40 0.20 -1.18 0.00 -1.18 -4.87 121.76 114.26 3fki s ALA 1027Ca 0.59 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 3fki s ALA 1027Cb 0.47 -2.64 0.22 0.00 0.00 0.00 0.00 23.12 21.18 3fki s ALA 1027CO -0.14 0.18 1.67 1.15 0.00 0.00 0.00 175.76 178.62 3fki h THR 1028N 1.48 0.54 -0.52 0.00 2.02 -1.92 -0.74 112.91 113.78 3fki h THR 1028Ca -0.47 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3fki h THR 1028Cb 1.18 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3fki h THR 1028CO 0.65 0.02 0.18 0.03 0.37 0.00 0.00 175.52 176.77 3fki h ARG 1029N 0.09 0.79 -0.62 6.66 2.47 -1.83 -3.01 114.38 118.94 3fki h ARG 1029Ca 0.27 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 3fki h ARG 1029Cb 0.43 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 3fki h ARG 1029CO -0.48 0.72 0.23 -0.09 0.56 0.00 0.00 179.97 180.92 3fki h ARG 1030N 0.70 0.94 -0.66 0.04 9.65 -1.45 -0.47 114.38 123.13 3fki h ARG 1030Ca 0.17 -0.18 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 3fki h ARG 1030Cb 0.25 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 3fki h ARG 1030CO -0.01 0.81 0.10 0.28 2.80 0.00 0.00 179.97 183.95 3fki h VAL 1031N 0.87 1.26 0.00 0.20 2.07 -1.16 -2.31 116.25 117.18 3fki h VAL 1031Ca 0.20 -1.05 -0.17 0.00 0.82 0.00 0.00 66.70 66.51 3fki h VAL 1031Cb 0.23 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3fki h VAL 1031CO -0.01 0.39 -1.96 0.18 0.02 0.00 0.00 177.57 176.19 3fki n LEU 1032N -4.22 0.24 -0.12 2.57 4.77 -1.14 -3.73 117.00 115.36 3fki n LEU 1032Ca 0.04 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 3fki n LEU 1032Cb 0.30 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 3fki n LEU 1032CO 0.43 0.20 -1.14 1.67 -1.33 0.00 0.00 177.39 177.23 3fki n GLN 1033N -2.60 0.57 -0.02 3.23 7.27 -0.19 -4.68 117.38 120.96 3fki n GLN 1033Ca -0.15 0.26 -0.16 0.00 0.07 0.00 0.00 57.00 57.02 3fki n GLN 1033Cb 0.84 -1.49 -0.12 0.00 2.41 0.00 0.00 30.24 31.89 3fki n GLN 1033CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3fki h GLU 1034N -1.00 0.19 -6.66 3.69 5.08 -1.62 -3.45 114.58 110.81 3fki h GLU 1034Ca -0.44 -0.22 -0.45 0.00 -1.00 0.00 0.00 59.36 57.25 3fki h GLU 1034Cb 1.38 0.07 0.04 0.00 0.50 0.00 0.00 28.75 30.73 3fki h GLU 1034CO -0.27 0.98 -0.13 0.71 -1.00 0.00 0.00 179.01 179.31 3fki s TYR 1035N -2.96 2.34 -0.41 4.33 2.02 -0.89 -5.07 117.35 116.70 3fki s TYR 1035Ca -0.16 -0.37 0.11 0.00 -0.37 0.00 0.00 57.07 56.28 3fki s TYR 1035Cb 0.01 -2.50 0.39 0.00 -0.40 0.00 0.00 41.96 39.46 3fki s TYR 1035CO 0.75 -0.85 0.89 0.54 -1.57 0.00 0.00 175.55 175.31 3fki n ARG 1036N -2.17 1.88 -2.52 -0.62 5.12 -1.25 -4.02 116.66 113.08 3fki n ARG 1036Ca 0.11 -3.84 -0.39 0.00 -1.93 0.00 0.00 57.85 51.79 3fki n ARG 1036Cb 0.60 -1.79 -0.04 0.00 -1.16 0.00 0.00 32.46 30.07 3fki n ARG 1036CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3fki s LEU 1037N -3.00 4.44 0.53 0.55 1.02 -1.24 -4.94 118.68 116.03 3fki s LEU 1037Ca 0.40 2.18 0.09 0.00 0.02 0.00 0.00 54.13 56.81 3fki s LEU 1037Cb 0.37 -3.79 0.06 0.00 0.02 0.00 0.00 46.19 42.86 3fki s LEU 1037CO -0.08 -0.22 0.72 0.42 0.02 0.00 0.00 176.35 177.22 3fki s THR 1038N -1.31 2.42 0.25 5.49 -4.23 -1.26 -4.71 115.64 112.29 3fki s THR 1038Ca 0.48 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 3fki s THR 1038Cb -0.29 -2.43 0.25 0.00 1.34 0.00 0.00 72.50 71.38 3fki s THR 1038CO 0.36 0.00 1.93 0.50 -0.54 0.00 0.00 174.62 176.87 3fki h LYS 1039N 0.31 1.32 -0.40 3.99 3.64 -1.98 0.24 116.57 123.70 3fki h LYS 1039Ca -0.33 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 58.84 3fki h LYS 1039Cb 1.29 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3fki h LYS 1039CO 0.42 0.87 -0.24 0.37 -2.27 0.00 0.00 179.45 178.61 3fki h GLN 1040N 1.35 0.82 -0.18 1.90 4.15 -1.98 -1.58 115.11 119.59 3fki h GLN 1040Ca 0.36 -0.34 -0.19 0.00 0.77 0.00 0.00 58.65 59.25 3fki h GLN 1040Cb -0.15 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.51 3fki h GLN 1040CO -0.08 0.97 -0.66 0.00 -1.93 0.00 0.00 178.83 177.14 3fki h ALA 1041N 1.02 0.48 -0.16 3.38 0.00 -1.81 -2.48 119.26 119.69 3fki h ALA 1041Ca 0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3fki h ALA 1041Cb 0.77 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fki h ALA 1041CO 0.06 0.70 -0.05 0.35 0.00 0.00 0.00 179.25 180.32 3fki h PHE 1042N 0.51 0.36 0.00 0.00 3.57 -0.47 -1.05 116.94 119.86 3fki h PHE 1042Ca -0.02 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3fki h PHE 1042Cb 1.26 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3fki h PHE 1042CO 0.07 0.60 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.24 3fki h ASP 1043N 0.02 0.00 0.09 0.41 3.32 -1.36 -1.30 116.42 117.60 3fki h ASP 1043Ca 0.04 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.83 3fki h ASP 1043Cb 0.49 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.06 3fki h ASP 1043CO 0.02 0.07 -1.07 -0.25 -1.72 0.00 0.00 179.24 176.28 3fki h TRP 1044N 0.00 0.91 -0.34 4.55 7.01 -1.27 -2.70 115.95 124.11 3fki h TRP 1044Ca -0.00 -0.56 -0.02 0.00 2.11 0.00 0.00 58.89 60.42 3fki h TRP 1044Cb 0.50 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 3fki h TRP 1044CO 0.00 1.40 0.14 0.28 -2.79 0.00 0.00 178.44 177.47 3fki h VAL 1045N 0.15 1.18 -0.08 2.65 2.07 -0.79 -1.39 116.25 120.04 3fki h VAL 1045Ca -0.16 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3fki h VAL 1045Cb 1.77 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3fki h VAL 1045CO 0.21 0.20 0.05 -0.07 0.02 0.00 0.00 177.57 177.98 3fki h LEU 1046N 0.40 0.10 -1.88 2.57 3.38 -1.36 0.52 115.31 119.04 3fki h LEU 1046Ca 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3fki h LEU 1046Cb 0.18 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fki h LEU 1046CO -0.01 0.11 -0.12 0.28 0.09 0.00 0.00 178.44 178.79 3fki h SER 1047N 0.08 0.00 0.39 -0.43 0.02 -1.40 -1.08 113.55 111.12 3fki h SER 1047Ca 0.03 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.66 3fki h SER 1047Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3fki h SER 1047CO -0.01 0.12 -1.61 0.78 -1.14 0.00 0.00 176.83 174.97 3fki h ASN 1048N 0.00 0.40 -0.58 3.07 2.35 -0.98 -2.90 115.58 116.94 3fki h ASN 1048Ca -0.00 -0.60 -0.04 0.00 -0.55 0.00 0.00 56.30 55.11 3fki h ASN 1048Cb 0.24 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3fki h ASN 1048CO 0.02 1.50 0.21 0.40 -1.65 0.00 0.00 177.43 177.91 3fki h ILE 1049N 0.07 1.23 -0.33 2.81 2.04 -0.63 -1.34 117.51 121.36 3fki h ILE 1049Ca -0.27 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3fki h ILE 1049Cb 2.03 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 3fki h ILE 1049CO 0.15 0.29 0.17 -0.08 0.00 0.00 0.00 178.15 178.68 3fki h GLU 1050N 0.81 0.47 -0.47 2.37 4.81 -1.33 -2.39 114.58 118.85 3fki h GLU 1050Ca 0.19 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3fki h GLU 1050Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3fki h GLU 1050CO -0.01 0.41 -0.24 0.00 -0.73 0.00 0.00 179.01 178.44 3fki h ALA 1051N 1.03 0.67 0.00 2.92 0.00 -1.40 -2.86 119.26 119.61 3fki h ALA 1051Ca 0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3fki h ALA 1051Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3fki h ALA 1051CO -0.02 0.67 -0.45 1.96 0.00 0.00 0.00 179.25 181.41 3fki h GLN 1052N 0.85 0.00 -0.49 0.00 4.20 -1.25 -2.85 115.11 115.58 3fki h GLN 1052Ca 0.10 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 3fki h GLN 1052Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3fki h GLN 1052CO 0.07 0.45 -0.17 0.35 -0.67 0.00 0.00 178.83 178.86 3fki h PHE 1053N 0.00 1.11 0.00 2.96 3.57 -1.31 -1.02 116.94 122.25 3fki h PHE 1053Ca -0.00 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 3fki h PHE 1053Cb 0.90 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 3fki h PHE 1053CO 0.00 1.07 -0.06 -0.07 -2.23 0.00 0.00 178.31 177.02 3fki h LEU 1054N 0.83 0.00 0.02 0.59 3.38 -1.34 -1.72 115.31 117.06 3fki h LEU 1054Ca 0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 3fki h LEU 1054Cb 0.75 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3fki h LEU 1054CO 0.06 0.06 -1.29 0.03 0.09 0.00 0.00 178.44 177.39 3fki h ARG 1055N 0.00 0.04 0.00 1.13 3.08 -1.28 -3.33 114.38 114.01 3fki h ARG 1055Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3fki h ARG 1055Cb 0.48 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3fki h ARG 1055CO 0.01 0.86 0.00 0.43 -1.07 0.00 0.00 179.97 180.20 3fki n SER 1056N -3.27 0.00 -4.81 7.04 7.64 -0.41 -4.82 113.62 115.00 3fki n SER 1056Ca -0.07 -0.25 -0.32 0.00 1.01 0.00 0.00 58.87 59.24 3fki n SER 1056Cb 0.99 -0.20 0.03 0.00 -1.01 0.00 0.00 64.21 64.02 3fki n SER 1056CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3fki s VAL 1057N -2.41 3.93 0.03 0.44 0.11 -1.10 -1.74 120.40 119.67 3fki s VAL 1057Ca 0.26 0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 59.76 3fki s VAL 1057Cb 0.16 -3.39 -0.04 0.00 -1.53 0.00 0.00 36.38 31.58 3fki s VAL 1057CO 0.33 -0.70 1.08 -0.69 -3.33 0.00 0.00 175.10 171.80 3fki s VAL 1058N -2.78 4.48 -0.33 2.04 1.01 0.42 -4.17 120.40 121.06 3fki s VAL 1058Ca 0.60 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 64.09 3fki s VAL 1058Cb -0.15 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.11 3fki s VAL 1058CO 0.47 0.14 0.99 -1.00 0.00 0.00 0.00 175.10 175.69 3fki s HIS 1059N 1.04 3.14 -0.49 5.22 3.76 -1.26 -4.96 115.29 121.73 3fki s HIS 1059Ca 0.55 1.02 -0.29 0.00 -0.15 0.00 0.00 55.06 56.19 3fki s HIS 1059Cb -0.25 -3.61 -0.09 0.00 1.11 0.00 0.00 32.58 29.74 3fki s HIS 1059CO 0.28 -0.75 2.39 -2.30 -0.85 0.00 0.00 174.74 173.51 3fki n PRO 1060N 6.74 1.07 0.00 8.40 -0.02 -1.26 -2.21 135.00 147.72 3fki n PRO 1060Ca 0.09 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3fki n PRO 1060Cb 0.48 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 3fki n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fki n GLY 1061N 6.12 1.49 3.45 -1.23 0.00 -0.98 -4.90 105.19 109.15 3fki n GLY 1061Ca 0.40 -0.12 -0.50 0.00 0.00 0.00 0.00 46.02 45.81 3fki n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fki n GLU 1062N 0.00 1.09 -2.06 1.61 -0.58 -0.94 -2.86 120.64 116.91 3fki n GLU 1062Ca 0.00 0.29 -0.30 0.00 -0.42 0.00 0.00 57.16 56.73 3fki n GLU 1062Cb 0.00 -2.48 -0.04 0.00 -0.57 0.00 0.00 31.44 28.35 3fki n GLU 1062CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3fki s MET 1063N 6.24 2.59 0.05 3.49 -1.94 -1.26 -3.21 119.30 125.26 3fki s MET 1063Ca 1.09 -0.04 -0.18 0.00 -1.71 0.00 0.00 55.69 54.85 3fki s MET 1063Cb -0.84 -4.87 -0.15 0.00 2.01 0.00 0.00 34.83 30.98 3fki s MET 1063CO 0.49 -3.17 1.29 0.28 -0.01 0.00 0.00 175.02 173.90 3fki h VAL 1064N 7.14 1.36 -0.42 -6.03 2.07 -1.73 -2.96 116.25 115.67 3fki h VAL 1064Ca -0.01 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 65.99 3fki h VAL 1064Cb 1.05 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.72 3fki h VAL 1064CO 1.22 0.48 -0.35 1.23 0.02 0.00 0.00 177.57 180.17 3fki h GLY 1065N 0.12 -0.29 1.27 2.17 0.00 -1.32 1.13 103.07 106.15 3fki h GLY 1065Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 3fki h GLY 1065CO 0.07 -0.20 0.03 -2.08 0.00 0.00 0.00 176.54 174.36 3fki h VAL 1066N -0.26 1.25 -0.38 4.60 2.07 -1.66 -0.26 116.25 121.61 3fki h VAL 1066Ca 0.17 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 3fki h VAL 1066Cb 0.55 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3fki h VAL 1066CO -0.56 0.37 -0.17 0.25 0.02 0.00 0.00 177.57 177.47 3fki h LEU 1067N 0.83 0.71 -0.05 2.57 7.12 -0.93 -1.91 115.31 123.65 3fki h LEU 1067Ca 0.16 -0.23 -0.24 0.00 0.13 0.00 0.00 57.88 57.70 3fki h LEU 1067Cb 0.45 -0.19 0.02 0.00 -0.53 0.00 0.00 40.66 40.41 3fki h LEU 1067CO 0.02 0.88 -0.91 0.00 -0.13 0.00 0.00 178.44 178.30 3fki h ALA 1068N 1.18 0.18 -0.46 1.25 0.00 0.15 -2.64 119.26 118.91 3fki h ALA 1068Ca 0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3fki h ALA 1068Cb 0.64 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3fki h ALA 1068CO 0.05 0.64 0.18 0.00 0.00 0.00 0.00 179.25 180.12 3fki h ALA 1069N 0.44 0.60 0.00 0.00 0.00 -0.99 -2.64 119.26 116.67 3fki h ALA 1069Ca -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3fki h ALA 1069Cb 1.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3fki h ALA 1069CO 0.18 0.21 -0.18 1.96 0.00 0.00 0.00 179.25 181.42 3fki h GLN 1070N 0.60 0.00 0.00 0.00 4.20 -1.43 -0.96 115.11 117.53 3fki h GLN 1070Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3fki h GLN 1070Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3fki h GLN 1070CO -0.01 0.18 0.00 0.43 -0.67 0.00 0.00 178.83 178.76 3fki n SER 1071N -3.33 0.39 -0.05 1.46 7.64 -1.00 -2.57 113.62 116.17 3fki n SER 1071Ca 0.00 0.55 -0.07 0.00 1.01 0.00 0.00 58.87 60.37 3fki n SER 1071Cb 0.41 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 3fki n SER 1071CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3fki n ILE 1072N -1.88 0.60 0.17 0.44 5.41 -1.08 -4.57 119.36 118.44 3fki n ILE 1072Ca 0.05 -0.26 0.04 0.00 1.00 0.00 0.00 62.75 63.58 3fki n ILE 1072Cb 0.33 -0.85 0.24 0.00 -0.71 0.00 0.00 39.64 38.65 3fki n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3fki h GLY 1073N 1.00 0.00 0.36 7.39 0.00 -1.28 -3.19 103.07 107.36 3fki h GLY 1073Ca -0.23 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3fki h GLY 1073CO -0.03 0.00 -0.17 -2.09 0.00 0.00 0.00 176.54 174.25 3fki h GLU 1074N 0.00 0.12 0.00 4.80 4.22 -1.73 -3.14 114.58 118.84 3fki h GLU 1074Ca -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.31 3fki h GLU 1074Cb 1.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3fki h GLU 1074CO 0.06 0.89 0.00 -0.35 -2.18 0.00 0.00 179.01 177.43 3fki n PRO 1075N -4.56 0.06 0.17 0.92 -0.04 -1.25 -1.46 135.00 128.83 3fki n PRO 1075Ca -0.10 0.37 0.04 0.00 -0.04 0.00 0.00 63.50 63.77 3fki n PRO 1075Cb 0.47 -1.63 0.20 0.00 -0.04 0.00 0.00 33.50 32.50 3fki n PRO 1075CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fki h ALA 1076N 2.31 0.84 -0.02 0.55 0.00 -1.53 -3.29 119.26 118.12 3fki h ALA 1076Ca 0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 3fki h ALA 1076Cb 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fki h ALA 1076CO 0.00 0.55 -1.00 1.15 0.00 0.00 0.00 179.25 179.95 3fki h THR 1077N 0.00 1.28 0.00 0.00 2.02 -1.22 -3.20 112.91 111.79 3fki h THR 1077Ca -0.00 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.97 3fki h THR 1077Cb 1.12 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3fki h THR 1077CO 0.06 0.68 0.00 0.00 0.37 0.00 0.00 175.52 176.63 3fki n GLN 1078N -3.87 0.46 -2.01 6.66 6.02 -1.21 -4.55 117.38 118.88 3fki n GLN 1078Ca -0.11 0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.56 3fki n GLN 1078Cb 0.86 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.59 3fki n GLN 1078CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3fki n MET 1079N -1.14 2.20 -3.16 -1.09 2.81 -1.21 -4.91 117.12 110.61 3fki n MET 1079Ca 0.12 -2.61 -0.42 0.00 -1.81 0.00 0.00 57.70 52.98 3fki n MET 1079Cb 0.11 -3.47 -0.07 0.00 -0.71 0.00 0.00 33.22 29.09 3fki n MET 1079CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fki s THR 1080N 7.05 4.92 0.00 2.03 2.01 -1.26 -5.00 115.64 125.39 3fki s THR 1080Ca 0.60 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.90 3fki s THR 1080Cb 0.05 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.48 3fki s THR 1080CO 0.09 -0.38 0.00 0.18 -0.69 0.00 0.00 174.62 173.82 3fki n LEU 1081N 5.99 0.00 -4.41 4.42 4.77 -1.26 -5.22 117.00 121.29 3fki n LEU 1081Ca -0.03 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.49 3fki n LEU 1081Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 3fki n LEU 1081CO 0.49 0.00 -0.00 -1.20 -1.33 0.00 0.00 177.39 175.35 3fki n SER 1091N 0.00 -1.18 0.00 -1.43 7.64 -1.26 -4.92 113.62 112.47 3fki n SER 1091Ca 0.00 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.96 3fki n SER 1091Cb 0.00 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 3fki n SER 1091CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3fki n LYS 1092N 1.00 -0.49 -1.09 1.43 4.81 -1.26 -4.86 118.16 117.70 3fki n LYS 1092Ca 0.16 -0.48 -0.28 0.00 -0.87 0.00 0.00 58.31 56.84 3fki n LYS 1092Cb 0.29 -0.89 -0.06 0.00 0.02 0.00 0.00 35.03 34.38 3fki n LYS 1092CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3fki n LYS 1093N -0.04 2.88 -4.36 1.64 5.02 -1.26 -4.81 118.16 117.22 3fki n LYS 1093Ca 0.00 -1.70 -0.21 0.00 -2.02 0.00 0.00 58.31 54.38 3fki n LYS 1093Cb 0.08 -2.50 -0.16 0.00 -0.02 0.00 0.00 35.03 32.43 3fki n LYS 1093CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fki s VAL 1094N 2.15 0.77 0.00 -0.18 1.01 -1.26 -5.03 120.40 117.86 3fki s VAL 1094Ca 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3fki s VAL 1094Cb 0.19 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3fki s VAL 1094CO -0.04 0.26 0.00 0.41 0.00 0.00 0.00 175.10 175.73 3fki n THR 1095N 3.57 0.00 -4.91 3.92 -1.04 -1.26 -4.85 114.28 109.70 3fki n THR 1095Ca -0.21 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.47 3fki n THR 1095Cb 0.53 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.89 3fki n THR 1095CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3fki s SER 1096N 0.00 3.68 0.56 8.00 1.04 -1.26 -4.75 113.70 120.97 3fki s SER 1096Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3fki s SER 1096Cb 0.00 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.58 3fki s SER 1096CO 0.00 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.99 3fki n GLY 1097N 3.56 -1.04 0.00 7.32 0.00 -1.26 -4.66 105.19 109.10 3fki n GLY 1097Ca -0.18 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3fki n GLY 1097CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fki n VAL 1098N -0.77 0.00 0.28 1.61 0.31 -1.26 0.70 118.33 119.19 3fki n VAL 1098Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 3fki n VAL 1098Cb 0.00 0.00 0.79 0.00 -0.91 0.00 0.00 33.84 33.72 3fki n VAL 1098CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3fki h PRO 1099N 0.00 0.00 -0.50 5.55 0.13 -1.98 -1.30 132.00 133.90 3fki h PRO 1099Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 3fki h PRO 1099Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3fki h PRO 1099CO 0.00 0.09 -0.15 -0.09 -0.23 0.00 0.00 178.00 177.62 3fki h ARG 1100N 0.00 0.98 -0.27 0.86 9.65 -0.01 -1.27 114.38 124.33 3fki h ARG 1100Ca -0.00 -0.39 -0.08 0.00 -1.10 0.00 0.00 59.98 58.41 3fki h ARG 1100Cb 0.30 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3fki h ARG 1100CO 0.01 1.06 -0.18 1.25 2.80 0.00 0.00 179.97 184.91 3fki h LEU 1101N 0.84 0.46 -0.01 3.80 5.85 -1.32 -2.31 115.31 122.63 3fki h LEU 1101Ca 0.12 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fki h LEU 1101Cb 0.71 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3fki h LEU 1101CO 0.05 0.66 0.00 0.50 -0.34 0.00 0.00 178.44 179.32 3fki h LYS 1102N 0.43 0.01 -0.89 1.25 3.64 -1.08 -2.78 116.57 117.15 3fki h LYS 1102Ca 0.07 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3fki h LYS 1102Cb 0.56 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 3fki h LYS 1102CO 0.04 0.18 0.58 0.93 -2.27 0.00 0.00 179.45 178.91 3fki h GLU 1103N -0.15 1.02 -0.07 1.90 5.08 -1.11 -0.05 114.58 121.20 3fki h GLU 1103Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fki h GLU 1103Cb 0.17 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3fki h GLU 1103CO -0.00 0.68 0.03 0.82 -1.00 0.00 0.00 179.01 179.54 3fki h ILE 1104N 1.05 1.00 0.00 3.13 2.04 -1.33 -0.52 117.51 122.88 3fki h ILE 1104Ca 0.37 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 66.11 3fki h ILE 1104Cb 0.13 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3fki h ILE 1104CO -0.13 0.01 -0.46 -0.07 0.00 0.00 0.00 178.15 177.51 3fki h LEU 1105N 0.08 0.00 -0.12 1.44 3.38 -1.19 -3.21 115.31 115.68 3fki h LEU 1105Ca 0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 3fki h LEU 1105Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fki h LEU 1105CO -0.02 0.46 -1.00 0.78 0.09 0.00 0.00 178.44 178.75 3fki h ASN 1106N 0.00 0.48 -5.43 -0.43 4.21 -0.87 -2.54 115.58 110.99 3fki h ASN 1106Ca -0.00 -0.41 -0.04 0.00 1.21 0.00 0.00 56.30 57.06 3fki h ASN 1106Cb 1.19 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 3fki h ASN 1106CO 0.06 1.23 -0.32 0.52 -1.29 0.00 0.00 177.43 177.62 3fki n VAL 1107N -3.69-10.09 -4.00 2.81 0.31 -0.22 -4.87 118.33 98.58 3fki n VAL 1107Ca -0.07 0.30 -0.27 0.00 -0.01 0.00 0.00 64.34 64.29 3fki n VAL 1107Cb 0.87 -6.81 -0.04 0.00 -0.91 0.00 0.00 33.84 26.94 3fki n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fki s ALA 1108N -2.76 3.80 0.14 3.52 0.00 -1.26 -5.04 121.76 120.16 3fki s ALA 1108Ca 0.13 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 3fki s ALA 1108Cb -0.03 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.48 3fki s ALA 1108CO 0.77 0.60 1.60 -0.22 0.00 0.00 0.00 175.76 178.50 3fki h LYS 1109N 2.51 0.80 -4.97 0.00 1.63 -1.97 -3.42 116.57 111.15 3fki h LYS 1109Ca -0.47 -0.25 -0.64 0.00 -0.85 0.00 0.00 60.65 58.43 3fki h LYS 1109Cb 1.19 -0.08 -0.21 0.00 -0.60 0.00 0.00 32.23 32.53 3fki h LYS 1109CO 0.68 0.85 -0.60 0.54 -3.45 0.00 0.00 179.45 177.47 3fki s ASN 1110N -6.28 5.37 0.38 4.20 4.22 -1.26 -5.07 114.94 116.51 3fki s ASN 1110Ca -0.13 -0.14 -0.20 0.00 -2.14 0.00 0.00 52.86 50.25 3fki s ASN 1110Cb 0.11 -1.97 -0.10 0.00 1.28 0.00 0.00 41.25 40.57 3fki s ASN 1110CO 0.81 -0.02 0.89 -0.04 -2.04 0.00 0.00 177.10 176.70 3fki s MET 1111N 1.54 4.22 0.16 3.55 -1.94 -1.26 -4.99 119.30 120.59 3fki s MET 1111Ca 0.06 1.03 -0.14 0.00 -1.71 0.00 0.00 55.69 54.94 3fki s MET 1111Cb -0.15 -2.34 0.05 0.00 2.01 0.00 0.00 34.83 34.40 3fki s MET 1111CO 0.05 0.07 1.75 -0.22 -0.01 0.00 0.00 175.02 176.66 3fki h LYS 1112N 2.21 0.75 -3.27 2.03 1.63 -1.99 -3.39 116.57 114.54 3fki h LYS 1112Ca -0.48 -0.11 -0.50 0.00 -0.85 0.00 0.00 60.65 58.71 3fki h LYS 1112Cb 1.18 -0.14 -0.40 0.00 -0.60 0.00 0.00 32.23 32.27 3fki h LYS 1112CO 0.63 0.61 -0.76 0.99 -3.45 0.00 0.00 179.45 177.47 3fki s THR 1113N -5.74 0.25 0.00 1.00 2.01 -1.26 -5.00 115.64 106.91 3fki s THR 1113Ca -0.13 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3fki s THR 1113Cb 0.12 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.72 3fki s THR 1113CO 0.77 -0.33 0.00 -2.65 -0.69 0.00 0.00 174.62 171.71 3fki n PRO 1114N 5.14 0.00 -0.86 4.92 -0.02 -1.26 -4.80 135.00 138.13 3fki n PRO 1114Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3fki n PRO 1114Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3fki n PRO 1114CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3fki n SER 1115N 0.00 -3.43 -4.39 2.55 7.64 -1.26 -4.69 113.62 110.04 3fki n SER 1115Ca 0.00 0.29 -0.33 0.00 1.01 0.00 0.00 58.87 59.84 3fki n SER 1115Cb 0.00 -1.83 -0.14 0.00 -1.01 0.00 0.00 64.21 61.22 3fki n SER 1115CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3fki s LEU 1116N -0.11 2.62 -0.13 -3.43 0.05 -1.26 -3.68 118.68 112.74 3fki s LEU 1116Ca 0.00 -0.32 -0.24 0.00 0.05 0.00 0.00 54.13 53.62 3fki s LEU 1116Cb 0.00 -1.56 -0.02 0.00 -2.05 0.00 0.00 46.19 42.56 3fki s LEU 1116CO 0.00 0.23 0.76 -0.89 -0.55 0.00 0.00 176.35 175.90 3fki s THR 1117N -0.07 4.96 -0.05 5.48 2.01 0.23 -2.90 115.64 125.30 3fki s THR 1117Ca -0.03 1.51 0.03 0.00 0.31 0.00 0.00 61.69 63.52 3fki s THR 1117Cb -0.14 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 3fki s THR 1117CO 0.04 0.12 -0.14 0.68 -0.69 0.00 0.00 174.62 174.64 3fki s VAL 1118N 1.59 3.11 0.05 3.82 -7.23 -0.62 -1.30 120.40 119.83 3fki s VAL 1118Ca 0.37 -0.71 0.07 0.00 -1.81 0.00 0.00 61.98 59.89 3fki s VAL 1118Cb -0.17 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 3fki s VAL 1118CO 0.15 0.59 -0.15 -0.31 -0.31 0.00 0.00 175.10 175.07 3fki s TYR 1119N -0.74 2.64 0.65 2.82 1.51 -1.26 -2.86 117.35 120.11 3fki s TYR 1119Ca 0.12 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 55.86 3fki s TYR 1119Cb -0.11 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 3fki s TYR 1119CO 0.01 0.32 1.05 -0.51 -1.11 0.00 0.00 175.55 175.30 3fki s LEU 1120N -1.64 3.14 0.18 -1.29 1.02 -1.26 -0.43 118.68 118.40 3fki s LEU 1120Ca 0.16 1.38 -0.33 0.00 0.02 0.00 0.00 54.13 55.37 3fki s LEU 1120Cb -0.11 -4.35 -0.13 0.00 0.02 0.00 0.00 46.19 41.62 3fki s LEU 1120CO 0.08 -1.06 1.60 1.21 0.02 0.00 0.00 176.35 178.19 3fki n GLU 1121N -2.86 2.31 -0.15 1.70 2.13 -1.17 -3.53 120.64 119.06 3fki n GLU 1121Ca 0.06 0.83 -0.04 0.00 0.66 0.00 0.00 57.16 58.67 3fki n GLU 1121Cb 0.55 -2.61 -0.04 0.00 0.27 0.00 0.00 31.44 29.61 3fki n GLU 1121CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3fki n PRO 1122N 3.35 -0.16 0.28 5.31 -0.02 -1.26 -2.18 135.00 140.33 3fki n PRO 1122Ca 0.16 0.80 -0.16 0.00 -2.02 0.00 0.00 63.50 62.28 3fki n PRO 1122Cb 0.31 -1.18 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 3fki n PRO 1122CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3fki h GLY 1123N 0.00 -0.74 -7.45 -1.23 0.00 -2.02 -3.36 103.07 88.28 3fki h GLY 1123Ca 0.06 0.27 -0.61 0.00 0.00 0.00 0.00 47.33 47.05 3fki h GLY 1123CO -0.34 -0.27 1.76 0.30 0.00 0.00 0.00 176.54 177.99 3fki s HIS 1124N -5.42 2.59 0.03 5.60 3.76 -0.93 -4.67 115.29 116.25 3fki s HIS 1124Ca -0.16 -1.07 -0.02 0.00 -0.15 0.00 0.00 55.06 53.66 3fki s HIS 1124Cb 0.03 -4.67 -0.01 0.00 1.11 0.00 0.00 32.58 29.04 3fki s HIS 1124CO 0.57 -1.85 -0.04 0.00 -0.85 0.00 0.00 174.74 172.57 3fki n ALA 1125N 9.09 2.56 1.58 -1.40 0.00 -1.25 -4.05 120.51 127.03 3fki n ALA 1125Ca 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.75 3fki n ALA 1125Cb 0.49 0.12 0.04 0.00 0.00 0.00 0.00 19.45 20.10 3fki n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fki n ALA 1126N -3.19 2.51 -2.05 0.00 0.00 -1.26 -3.79 120.51 112.73 3fki n ALA 1126Ca -0.01 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 3fki n ALA 1126Cb 0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 3fki n ALA 1126CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fki s ASP 1127N -0.86 7.00 0.00 0.00 1.01 -1.26 -4.91 116.67 117.65 3fki s ASP 1127Ca 0.06 2.30 -0.18 0.00 0.71 0.00 0.00 52.55 55.43 3fki s ASP 1127Cb 0.03 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 3fki s ASP 1127CO 0.04 -0.45 0.93 -0.61 0.21 0.00 0.00 175.17 175.29 3fki h GLN 1128N 5.41 -0.64 0.00 8.23 5.75 -2.01 -3.29 115.11 128.56 3fki h GLN 1128Ca -0.44 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 3fki h GLN 1128Cb 1.21 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.91 3fki h GLN 1128CO 0.76 -0.43 0.00 1.49 -2.65 0.00 0.00 178.83 178.00 3fki h GLU 1129N -0.92 0.00 -0.88 1.69 4.81 -2.00 -3.20 114.58 114.08 3fki h GLU 1129Ca -0.07 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3fki h GLU 1129Cb 0.51 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 3fki h GLU 1129CO 0.11 0.00 0.57 0.37 -0.73 0.00 0.00 179.01 179.33 3fki h GLN 1130N 0.00 1.01 -0.14 1.92 5.75 -1.97 -1.42 115.11 120.25 3fki h GLN 1130Ca 0.00 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.34 3fki h GLN 1130Cb 0.68 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 3fki h GLN 1130CO 0.00 0.67 -0.35 0.00 -2.65 0.00 0.00 178.83 176.50 3fki h ALA 1131N 1.51 1.15 -0.09 3.38 0.00 -1.66 -3.08 119.26 120.47 3fki h ALA 1131Ca 0.36 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3fki h ALA 1131Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fki h ALA 1131CO -0.12 0.56 -0.57 0.87 0.00 0.00 0.00 179.25 179.99 3fki h LYS 1132N 0.25 0.29 -0.34 0.00 1.57 -1.44 -1.99 116.57 114.91 3fki h LYS 1132Ca 0.03 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 3fki h LYS 1132Cb 0.74 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3fki h LYS 1132CO 0.06 0.77 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.38 3fki h LEU 1133N 0.22 0.71 0.08 2.94 3.38 -1.28 -2.83 115.31 118.52 3fki h LEU 1133Ca -0.00 -0.26 -0.26 0.00 0.09 0.00 0.00 57.88 57.45 3fki h LEU 1133Cb 1.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3fki h LEU 1133CO 0.09 0.94 -1.20 0.40 0.09 0.00 0.00 178.44 178.76 3fki h ILE 1134N 0.60 1.52 -0.15 1.22 2.04 -1.54 -3.33 117.51 117.88 3fki h ILE 1134Ca 0.08 -3.16 0.03 0.00 1.00 0.00 0.00 64.86 62.81 3fki h ILE 1134Cb 0.76 2.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.69 3fki h ILE 1134CO 0.06 0.90 -0.02 -0.09 0.00 0.00 0.00 178.15 179.00 3fki h ARG 1135N 0.04 0.02 -3.16 2.37 2.43 -1.29 -2.91 114.38 111.88 3fki h ARG 1135Ca -0.11 -0.00 -0.76 0.00 -0.81 0.00 0.00 59.98 58.30 3fki h ARG 1135Cb 1.91 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 31.28 3fki h ARG 1135CO 0.17 0.01 1.90 -1.13 -1.51 0.00 0.00 179.97 179.41 3fki n SER 1136N -5.15 6.05 0.00 -3.80 3.41 -1.07 -3.14 113.62 109.91 3fki n SER 1136Ca -0.04 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 3fki n SER 1136Cb 0.09 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 3fki n SER 1136CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fki n ALA 1137N 2.83 0.00 0.00 7.33 0.00 -1.10 -4.93 120.51 124.64 3fki n ALA 1137Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3fki n ALA 1137Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3fki n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fki n ILE 1138N 0.00 0.00 -1.67 0.00 5.41 -1.23 -3.94 119.36 117.92 3fki n ILE 1138Ca 0.00 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.29 3fki n ILE 1138Cb 0.00 -0.52 -0.04 0.00 -0.71 0.00 0.00 39.64 38.37 3fki n ILE 1138CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3fki n GLU 1139N -2.37 2.18 -2.09 0.38 2.13 -1.19 -0.28 120.64 119.40 3fki n GLU 1139Ca 0.00 0.79 -0.42 0.00 0.66 0.00 0.00 57.16 58.18 3fki n GLU 1139Cb 0.47 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 29.59 3fki n GLU 1139CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3fki s HIS 1140N 0.89 2.43 -0.30 4.31 5.65 0.25 -4.14 115.29 124.38 3fki s HIS 1140Ca 0.78 0.49 0.02 0.00 0.25 0.00 0.00 55.06 56.60 3fki s HIS 1140Cb -0.67 -3.81 0.09 0.00 -1.18 0.00 0.00 32.58 27.01 3fki s HIS 1140CO 0.38 -3.22 0.01 0.95 -0.65 0.00 0.00 174.74 172.21 3fki s THR 1141N 3.15 1.83 0.48 0.89 -4.23 -1.15 -4.95 115.64 111.66 3fki s THR 1141Ca 0.69 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 3fki s THR 1141Cb -0.33 -2.23 -0.00 0.00 1.34 0.00 0.00 72.50 71.27 3fki s THR 1141CO 0.28 -0.42 0.72 0.28 -0.54 0.00 0.00 174.62 174.94 3fki s THR 1142N 1.18 3.94 0.39 3.99 -1.32 -1.26 -1.14 115.64 121.42 3fki s THR 1142Ca 0.04 -0.38 0.12 0.00 -1.21 0.00 0.00 61.69 60.26 3fki s THR 1142Cb -0.19 -3.48 0.13 0.00 -1.51 0.00 0.00 72.50 67.45 3fki s THR 1142CO -0.10 -0.37 1.88 0.25 -2.21 0.00 0.00 174.62 174.06 3fki h LEU 1143N 0.28 0.07 -1.17 9.08 5.85 -1.63 -2.81 115.31 124.99 3fki h LEU 1143Ca -0.46 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 3fki h LEU 1143Cb 1.25 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 3fki h LEU 1143CO 0.58 0.35 0.05 0.50 -0.34 0.00 0.00 178.44 179.58 3fki h LYS 1144N 0.07 0.63 -0.04 1.25 3.64 -1.79 -2.95 116.57 117.38 3fki h LYS 1144Ca 0.01 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3fki h LYS 1144Cb 0.52 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3fki h LYS 1144CO 0.04 0.61 0.06 0.66 -2.27 0.00 0.00 179.45 178.55 3fki h SER 1145N 0.60 0.00 0.00 4.20 4.64 -1.81 -3.00 113.55 118.19 3fki h SER 1145Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3fki h SER 1145Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3fki h SER 1145CO 0.01 0.00 -1.12 1.33 -0.87 0.00 0.00 176.83 176.17 3fki n VAL 1146N -3.67 0.00 -2.42 0.95 0.24 -1.22 -5.02 118.33 107.19 3fki n VAL 1146Ca -0.02 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 3fki n VAL 1146Cb 0.15 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 3fki n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3fki s THR 1147N -2.19 4.17 -0.08 3.34 2.01 -1.12 -0.88 115.64 120.89 3fki s THR 1147Ca -0.01 1.50 -0.09 0.00 0.31 0.00 0.00 61.69 63.40 3fki s THR 1147Cb 0.02 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 3fki s THR 1147CO 0.11 -0.01 0.34 0.40 -0.69 0.00 0.00 174.62 174.77 3fki h ILE 1148N 5.01 0.27 -3.00 1.82 2.04 -0.87 -3.47 117.51 119.32 3fki h ILE 1148Ca -0.34 -1.05 -0.13 0.00 1.00 0.00 0.00 64.86 64.34 3fki h ILE 1148Cb 1.16 0.50 -0.23 0.00 -0.74 0.00 0.00 36.82 37.51 3fki h ILE 1148CO 0.89 0.08 -0.31 0.00 0.00 0.00 0.00 178.15 178.81 3fki s ALA 1149N -3.00 -0.79 -0.10 1.87 0.00 -1.21 -5.04 121.76 113.50 3fki s ALA 1149Ca -0.05 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.57 3fki s ALA 1149Cb -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3fki s ALA 1149CO 0.18 -0.20 -0.12 -1.54 0.00 0.00 0.00 175.76 174.09 3fki s SER 1150N -0.46 4.18 0.15 0.00 1.04 -1.26 -1.59 113.70 115.75 3fki s SER 1150Ca -0.06 -0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.25 3fki s SER 1150Cb -0.04 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 3fki s SER 1150CO 0.02 0.25 -0.23 -1.61 0.98 0.00 0.00 173.24 172.65 3fki s GLU 1151N -0.15 1.34 -0.22 4.02 2.02 0.29 -4.98 118.70 121.02 3fki s GLU 1151Ca -0.00 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.62 3fki s GLU 1151Cb -0.13 -1.64 0.03 0.00 0.10 0.00 0.00 34.13 32.49 3fki s GLU 1151CO 0.03 0.36 -0.13 0.42 0.02 0.00 0.00 175.26 175.97 3fki s ILE 1152N -1.49 2.39 0.31 -1.63 1.01 -1.26 0.58 121.20 121.12 3fki s ILE 1152Ca 0.15 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 59.77 3fki s ILE 1152Cb -0.08 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3fki s ILE 1152CO 0.07 0.30 0.11 -0.31 0.00 0.00 0.00 174.94 175.11 3fki s TYR 1153N 1.26 2.74 -0.51 3.97 1.51 -0.15 -4.98 117.35 121.19 3fki s TYR 1153Ca 0.00 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 3fki s TYR 1153Cb -0.16 -1.51 0.13 0.00 -0.11 0.00 0.00 41.96 40.32 3fki s TYR 1153CO -0.08 0.42 0.29 -0.47 -1.11 0.00 0.00 175.55 174.61 3fki s TYR 1154N -2.37 3.48 -0.36 2.71 5.04 -1.26 -0.19 117.35 124.39 3fki s TYR 1154Ca 0.36 -2.71 -0.00 0.00 -2.44 0.00 0.00 57.07 52.28 3fki s TYR 1154Cb -0.04 -3.13 0.10 0.00 0.35 0.00 0.00 41.96 39.24 3fki s TYR 1154CO 0.22 -0.88 0.11 0.34 -1.34 0.00 0.00 175.55 174.00 3fki s ASP 1155N 0.97 5.02 0.01 4.32 -1.08 -0.63 -4.97 116.67 120.31 3fki s ASP 1155Ca 0.13 -1.93 -0.25 0.00 -0.52 0.00 0.00 52.55 49.99 3fki s ASP 1155Cb -0.22 -1.74 -0.18 0.00 -1.46 0.00 0.00 42.92 39.32 3fki s ASP 1155CO -0.04 -0.44 1.35 1.55 0.52 0.00 0.00 175.17 178.11 3fki h PRO 1156N 7.90 -0.13 -6.13 4.34 0.13 -1.93 -3.42 132.00 132.76 3fki h PRO 1156Ca -0.12 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.45 3fki h PRO 1156Cb 1.04 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 3fki h PRO 1156CO 0.61 0.20 0.86 0.34 -0.23 0.00 0.00 178.00 179.78 3fki s ASP 1157N -5.39 7.00 0.55 1.44 3.68 -1.26 -4.72 116.67 117.98 3fki s ASP 1157Ca -0.15 1.54 0.33 0.00 2.13 0.00 0.00 52.55 56.41 3fki s ASP 1157Cb 0.03 -2.54 1.42 0.00 -1.45 0.00 0.00 42.92 40.38 3fki s ASP 1157CO 0.63 -0.73 2.01 -0.65 0.13 0.00 0.00 175.17 176.55 3fki h PRO 1158N 7.91 0.00 0.00 4.34 0.11 -1.98 -3.16 132.00 139.21 3fki h PRO 1158Ca -0.23 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.62 3fki h PRO 1158Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3fki h PRO 1158CO 0.98 0.03 -1.37 0.00 -0.21 0.00 0.00 178.00 177.42 3fki h ARG 1159N 0.00 0.01 -5.46 1.05 3.08 -1.97 -3.48 114.38 107.60 3fki h ARG 1159Ca -0.00 -0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.39 3fki h ARG 1159Cb 0.49 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.42 3fki h ARG 1159CO 0.00 0.75 -0.51 -1.54 -1.07 0.00 0.00 179.97 177.60 3fki s SER 1160N -6.41 4.15 0.02 7.04 1.04 -1.20 -4.83 113.70 113.52 3fki s SER 1160Ca -0.02 -1.48 0.02 0.00 0.48 0.00 0.00 55.95 54.94 3fki s SER 1160Cb 0.09 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3fki s SER 1160CO 0.82 -0.75 -0.07 -0.89 0.98 0.00 0.00 173.24 173.34 3fki s THR 1161N -2.80 0.49 0.19 2.02 2.01 -1.26 -4.72 115.64 111.57 3fki s THR 1161Ca 0.19 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.59 3fki s THR 1161Cb 0.04 -0.49 -0.12 0.00 0.01 0.00 0.00 72.50 71.94 3fki s THR 1161CO 0.11 -0.13 1.44 0.58 -0.69 0.00 0.00 174.62 175.92 3fki h VAL 1162N 4.75 1.51 -3.28 3.82 2.07 -1.94 -3.44 116.25 119.73 3fki h VAL 1162Ca -0.32 -2.56 -0.56 0.00 0.82 0.00 0.00 66.70 64.07 3fki h VAL 1162Cb 1.20 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 33.32 3fki h VAL 1162CO 0.45 0.74 0.48 -0.63 0.02 0.00 0.00 177.57 178.63 3fki s ILE 1163N -3.28 4.83 -0.13 4.57 1.01 -1.26 -4.94 121.20 122.00 3fki s ILE 1163Ca -0.02 1.88 0.30 0.00 0.00 0.00 0.00 60.65 62.81 3fki s ILE 1163Cb 0.11 -4.24 0.34 0.00 0.01 0.00 0.00 42.46 38.68 3fki s ILE 1163CO 0.81 0.03 1.88 1.55 0.00 0.00 0.00 174.94 179.21 3fki h PRO 1164N 7.14 0.00 0.00 2.79 0.13 -2.02 -2.82 132.00 137.22 3fki h PRO 1164Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3fki h PRO 1164Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3fki h PRO 1164CO 0.84 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.54 3fki h GLU 1165N 0.00 0.00 -0.01 0.86 5.08 -1.98 -3.30 114.58 115.23 3fki h GLU 1165Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fki h GLU 1165Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3fki h GLU 1165CO 0.00 0.00 -0.07 -0.25 -1.00 0.00 0.00 179.01 177.69 3fki n ASP 1166N -2.73 1.40 0.25 1.42 8.00 -1.07 -4.61 116.55 119.22 3fki n ASP 1166Ca 0.03 -1.20 0.08 0.00 0.71 0.00 0.00 54.79 54.41 3fki n ASP 1166Cb 0.40 0.21 0.63 0.00 -0.02 0.00 0.00 41.12 42.33 3fki n ASP 1166CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3fki h GLU 1167N 1.27 0.00 0.00 -1.24 5.08 -1.62 -2.37 114.58 115.70 3fki h GLU 1167Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3fki h GLU 1167Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fki h GLU 1167CO 0.00 0.04 -0.51 1.05 -1.00 0.00 0.00 179.01 178.59 3fki h GLU 1168N 0.00 0.00 0.03 2.33 4.11 -1.82 -3.36 114.58 115.86 3fki h GLU 1168Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 3fki h GLU 1168Cb 0.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.35 3fki h GLU 1168CO 0.01 0.51 -0.83 0.82 0.07 0.00 0.00 179.01 179.59 3fki h ILE 1169N 0.00 1.38 -0.79 -1.06 2.04 -1.73 -3.37 117.51 113.98 3fki h ILE 1169Ca -0.01 -2.22 -0.04 0.00 1.00 0.00 0.00 64.86 63.59 3fki h ILE 1169Cb 1.23 2.62 -0.04 0.00 -0.74 0.00 0.00 36.82 39.89 3fki h ILE 1169CO 0.07 0.66 0.33 -0.29 0.00 0.00 0.00 178.15 178.92 3fki h ILE 1170N 0.05 1.26 0.00 -0.67 6.09 -1.71 -2.93 117.51 119.60 3fki h ILE 1170Ca -0.11 -0.78 -0.01 0.00 -1.37 0.00 0.00 64.86 62.58 3fki h ILE 1170Cb 1.53 0.30 -0.00 0.00 0.47 0.00 0.00 36.82 39.13 3fki h ILE 1170CO 0.16 0.32 -0.05 1.56 -3.07 0.00 0.00 178.15 177.07 3fki h GLN 1171N 1.13 0.00 -0.00 2.19 4.20 -1.76 -3.20 115.11 117.67 3fki h GLN 1171Ca 0.26 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.71 3fki h GLN 1171Cb 0.19 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.99 3fki h GLN 1171CO -0.03 0.05 -1.03 -0.07 -0.67 0.00 0.00 178.83 177.09 3fki h LEU 1172N 0.00 0.87 -5.17 1.46 3.38 -1.67 -3.35 115.31 110.82 3fki h LEU 1172Ca -0.00 -0.69 -0.63 0.00 0.09 0.00 0.00 57.88 56.64 3fki h LEU 1172Cb 0.66 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.03 3fki h LEU 1172CO 0.01 1.49 1.80 1.57 0.09 0.00 0.00 178.44 183.40 3fki n HIS 1173N -3.84 2.14 0.08 1.13 -0.00 -1.21 -4.17 115.22 109.35 3fki n HIS 1173Ca -0.10 -2.52 0.00 0.00 0.46 0.00 0.00 57.72 55.56 3fki n HIS 1173Cb 0.88 -1.75 0.00 0.00 -0.12 0.00 0.00 29.99 28.99 3fki n HIS 1173CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3fki n PHE 1174N 1.69 -1.05 -2.73 1.57 3.01 -1.26 -5.06 117.46 113.63 3fki n PHE 1174Ca 0.59 0.19 -0.09 0.00 1.01 0.00 0.00 57.45 59.15 3fki n PHE 1174Cb 0.37 0.28 0.07 0.00 -0.01 0.00 0.00 39.48 40.20 3fki n PHE 1174CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fki n SER 1175N -3.31 -0.65 -0.03 4.37 3.41 -1.26 -5.21 113.62 110.94 3fki n SER 1175Ca 0.00 -2.74 -0.04 0.00 -0.26 0.00 0.00 58.87 55.83 3fki n SER 1175Cb 0.00 0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3fki n SER 1175CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3fki n PHE 1185N -0.23 0.00 0.00 7.33 3.01 -1.26 -5.17 117.46 121.14 3fki n PHE 1185Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 3fki n PHE 1185Cb 0.81 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 3fki n PHE 1185CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fki n ASP 1186N -3.54 0.00 -4.23 4.37 8.00 -1.26 -5.14 116.55 114.75 3fki n ASP 1186Ca -0.06 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.12 3fki n ASP 1186Cb 0.22 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.15 3fki n ASP 1186CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3fki s GLN 1187N 2.92 3.08 0.00 -1.24 -0.21 -1.26 -5.13 119.66 117.82 3fki s GLN 1187Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.52 3fki s GLN 1187Cb 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3fki s GLN 1187CO 0.00 0.16 0.00 1.04 -2.12 0.00 0.00 175.29 174.37 3fki n GLN 1188N 3.60 1.89 -3.24 2.91 3.00 -1.26 -4.90 117.38 119.38 3fki n GLN 1188Ca -0.19 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 3fki n GLN 1188Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.71 3fki n GLN 1188CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3fki s SER 1189N -0.82 7.04 0.00 1.08 0.15 -1.03 -4.97 113.70 115.16 3fki s SER 1189Ca 0.00 1.23 0.14 0.00 0.70 0.00 0.00 55.95 58.03 3fki s SER 1189Cb 0.00 -2.37 0.83 0.00 -1.71 0.00 0.00 66.02 62.78 3fki s SER 1189CO 0.00 0.21 1.28 -2.65 1.20 0.00 0.00 173.24 173.28 3fki n PRO 1190N 2.11 0.42 -2.86 5.44 -0.02 -1.26 -4.67 135.00 134.16 3fki n PRO 1190Ca -0.09 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 60.98 3fki n PRO 1190Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 3fki n PRO 1190CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3fki s TRP 1191N -2.06 2.86 0.08 6.00 0.52 -1.26 -1.61 118.94 123.46 3fki s TRP 1191Ca 0.20 0.10 -0.26 0.00 0.02 0.00 0.00 56.10 56.15 3fki s TRP 1191Cb 0.10 -3.98 -0.06 0.00 -1.15 0.00 0.00 33.47 28.38 3fki s TRP 1191CO 0.17 -1.23 0.82 -1.17 0.02 0.00 0.00 176.95 175.56 3fki s LEU 1192N 3.78 4.48 -0.23 2.99 2.96 0.73 -4.64 118.68 128.75 3fki s LEU 1192Ca 0.32 1.57 -0.01 0.00 -0.22 0.00 0.00 54.13 55.79 3fki s LEU 1192Cb -0.12 -3.34 0.03 0.00 0.50 0.00 0.00 46.19 43.25 3fki s LEU 1192CO 0.21 0.01 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.95 3fki s LEU 1193N -0.17 2.99 0.03 -0.68 2.96 -0.80 -0.98 118.68 122.03 3fki s LEU 1193Ca 0.41 -0.85 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3fki s LEU 1193Cb -0.22 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3fki s LEU 1193CO 0.25 -0.10 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.50 3fki s ARG 1194N 1.30 2.44 -0.02 1.98 3.52 0.20 -1.04 118.95 127.33 3fki s ARG 1194Ca 0.00 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3fki s ARG 1194Cb -0.16 -2.44 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 3fki s ARG 1194CO -0.06 0.58 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.46 3fki s LEU 1195N -1.62 1.53 -0.12 -0.88 1.43 0.45 -0.55 118.68 118.93 3fki s LEU 1195Ca 0.18 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 3fki s LEU 1195Cb -0.11 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.81 3fki s LEU 1195CO 0.09 -0.03 -0.21 -0.70 0.23 0.00 0.00 176.35 175.73 3fki s GLU 1196N 0.56 3.10 0.07 1.70 2.12 -0.62 -0.96 118.70 124.67 3fki s GLU 1196Ca -0.06 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.47 3fki s GLU 1196Cb -0.10 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 3fki s GLU 1196CO -0.01 0.13 0.01 -0.51 -0.54 0.00 0.00 175.26 174.34 3fki s LEU 1197N 0.49 3.52 -0.07 2.70 1.43 -1.13 -0.17 118.68 125.46 3fki s LEU 1197Ca -0.14 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 3fki s LEU 1197Cb -0.17 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 3fki s LEU 1197CO 0.05 0.19 1.09 -0.62 0.23 0.00 0.00 176.35 177.29 3fki s ASP 1198N -2.18 7.17 0.19 2.29 -1.08 -0.06 -4.48 116.67 118.52 3fki s ASP 1198Ca 0.25 1.68 -0.09 0.00 -0.52 0.00 0.00 52.55 53.87 3fki s ASP 1198Cb -0.12 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 38.88 3fki s ASP 1198CO 0.17 -0.48 1.69 -0.09 0.52 0.00 0.00 175.17 176.98 3fki h ARG 1199N 7.19 1.08 -0.02 4.34 2.43 -1.96 -2.79 114.38 124.64 3fki h ARG 1199Ca -0.34 -0.27 -0.17 0.00 -0.81 0.00 0.00 59.98 58.39 3fki h ARG 1199Cb 1.16 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3fki h ARG 1199CO 0.85 0.98 -0.75 0.00 -1.51 0.00 0.00 179.97 179.54 3fki h ALA 1200N 1.06 0.70 0.00 2.80 0.00 -1.99 -3.21 119.26 118.62 3fki h ALA 1200Ca 0.20 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3fki h ALA 1200Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fki h ALA 1200CO 0.01 0.85 -0.29 0.00 0.00 0.00 0.00 179.25 179.82 3fki h ALA 1201N 1.12 0.97 -0.30 0.00 0.00 -1.91 -3.04 119.26 116.10 3fki h ALA 1201Ca -0.02 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 3fki h ALA 1201Cb 1.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3fki h ALA 1201CO 0.11 0.36 -0.53 0.52 0.00 0.00 0.00 179.25 179.71 3fki h MET 1202N 0.00 0.89 0.00 0.00 2.07 -1.49 -3.15 114.93 113.25 3fki h MET 1202Ca -0.00 -0.56 -0.02 0.00 -2.07 0.00 0.00 59.70 57.05 3fki h MET 1202Cb 0.87 0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 30.66 3fki h MET 1202CO 0.04 1.19 -0.09 -0.91 1.07 0.00 0.00 176.91 178.22 3fki h ASN 1203N 0.69 0.00 0.17 1.22 2.35 -1.62 0.12 115.58 118.51 3fki h ASN 1203Ca 0.02 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3fki h ASN 1203Cb 1.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3fki h ASN 1203CO 0.12 0.09 -0.38 -0.78 -1.65 0.00 0.00 177.43 174.83 3fki h ASP 1204N 0.00 0.30 -0.08 5.81 3.58 -1.49 -3.17 116.42 121.36 3fki h ASP 1204Ca -0.00 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3fki h ASP 1204Cb 0.75 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.72 3fki h ASP 1204CO 0.01 0.65 0.00 0.29 -2.88 0.00 0.00 179.24 177.31 3fki n LYS 1205N -4.05 1.04 -2.97 0.28 5.02 -1.17 -5.07 118.16 111.23 3fki n LYS 1205Ca -0.01 -1.25 -0.07 0.00 -2.02 0.00 0.00 58.31 54.96 3fki n LYS 1205Cb 0.46 -1.14 0.01 0.00 -0.02 0.00 0.00 35.03 34.33 3fki n LYS 1205CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3fki n ASP 1206N 0.29 -7.32 -4.14 4.39 2.03 0.37 -5.00 116.55 107.17 3fki n ASP 1206Ca 0.05 0.79 -0.14 0.00 0.52 0.00 0.00 54.79 56.01 3fki n ASP 1206Cb 0.24 -3.89 -0.11 0.00 -0.72 0.00 0.00 41.12 36.63 3fki n ASP 1206CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fki s LEU 1207N -1.76 2.35 -0.00 -2.67 1.43 -0.99 -5.02 118.68 112.02 3fki s LEU 1207Ca 0.10 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3fki s LEU 1207Cb -0.02 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 3fki s LEU 1207CO 0.59 -0.23 0.06 -0.89 0.23 0.00 0.00 176.35 176.11 3fki s THR 1208N -2.01 4.57 0.43 5.49 2.01 -1.26 -4.87 115.64 120.01 3fki s THR 1208Ca -0.00 -0.47 0.11 0.00 0.31 0.00 0.00 61.69 61.63 3fki s THR 1208Cb -0.06 -3.08 0.23 0.00 0.01 0.00 0.00 72.50 69.60 3fki s THR 1208CO 0.00 0.35 2.04 0.24 -0.69 0.00 0.00 174.62 176.56 3fki h MET 1209N 4.13 0.27 -0.54 4.92 2.86 -1.97 -2.25 114.93 122.35 3fki h MET 1209Ca -0.49 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.01 3fki h MET 1209Cb 1.18 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 3fki h MET 1209CO 0.61 0.26 -0.09 0.78 1.06 0.00 0.00 176.91 179.53 3fki h GLY 1210N 0.45 1.08 0.98 8.32 0.00 -1.95 -2.55 103.07 109.40 3fki h GLY 1210Ca 0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 3fki h GLY 1210CO -0.00 0.77 0.28 1.46 0.00 0.00 0.00 176.54 179.05 3fki h GLN 1211N 0.89 0.69 0.27 4.80 4.20 -1.83 0.40 115.11 124.54 3fki h GLN 1211Ca 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3fki h GLN 1211Cb 0.64 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3fki h GLN 1211CO 0.04 0.53 -0.13 0.28 -0.67 0.00 0.00 178.83 178.89 3fki h VAL 1212N 0.66 0.76 -0.75 -0.54 2.07 -1.48 -1.94 116.25 115.03 3fki h VAL 1212Ca 0.18 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3fki h VAL 1212Cb 0.04 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3fki h VAL 1212CO -0.03 0.04 0.47 1.23 0.02 0.00 0.00 177.57 179.31 3fki h GLY 1213N -0.47 1.08 1.41 2.17 0.00 -1.37 -2.15 103.07 103.75 3fki h GLY 1213Ca -0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3fki h GLY 1213CO 0.06 0.42 -0.05 0.83 0.00 0.00 0.00 176.54 177.80 3fki h GLU 1214N 1.03 0.72 -0.28 4.80 5.08 -0.90 -0.84 114.58 124.18 3fki h GLU 1214Ca 0.27 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3fki h GLU 1214Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3fki h GLU 1214CO -0.05 0.77 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.29 3fki h ARG 1215N 0.66 0.61 -0.39 2.33 9.65 -1.05 -0.39 114.38 125.81 3fki h ARG 1215Ca 0.12 -0.29 -0.13 0.00 -1.10 0.00 0.00 59.98 58.58 3fki h ARG 1215Cb 0.49 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3fki h ARG 1215CO 0.03 0.87 -0.29 0.82 2.80 0.00 0.00 179.97 184.19 3fki h ILE 1216N 0.52 1.27 -0.13 1.20 2.04 -1.18 -2.61 117.51 118.62 3fki h ILE 1216Ca 0.06 -1.45 -0.13 0.00 1.00 0.00 0.00 64.86 64.34 3fki h ILE 1216Cb 0.84 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3fki h ILE 1216CO 0.07 0.48 -0.47 0.50 0.00 0.00 0.00 178.15 178.73 3fki h LYS 1217N 0.72 0.33 0.00 2.37 3.64 -0.90 -2.91 116.57 119.82 3fki h LYS 1217Ca 0.08 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3fki h LYS 1217Cb 0.84 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3fki h LYS 1217CO 0.07 0.74 -0.19 0.00 -2.27 0.00 0.00 179.45 177.79 3fki n GLN 1218N -3.98 0.01 -0.04 1.90 10.64 -0.18 -0.83 117.38 124.91 3fki n GLN 1218Ca -0.02 0.01 -0.15 0.00 -1.83 0.00 0.00 57.00 55.01 3fki n GLN 1218Cb 0.53 -1.51 -0.12 0.00 -0.86 0.00 0.00 30.24 28.28 3fki n GLN 1218CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3fki h THR 1219N 0.00 1.66 0.00 -0.39 2.02 -1.27 -3.40 112.91 111.54 3fki h THR 1219Ca 0.00 -2.13 -0.37 0.00 0.77 0.00 0.00 66.41 64.68 3fki h THR 1219Cb 0.51 3.08 -0.07 0.00 -1.74 0.00 0.00 68.15 69.93 3fki h THR 1219CO 0.00 0.57 -2.38 0.49 0.37 0.00 0.00 175.52 174.57 3fki n PHE 1220N -4.56 0.10 0.00 3.16 3.01 -1.18 -5.08 117.46 112.90 3fki n PHE 1220Ca -0.10 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3fki n PHE 1220Cb 0.50 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.95 3fki n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fki n LYS 1221N -2.98 0.00 -0.73 -1.08 5.02 -0.01 -4.23 118.16 114.15 3fki n LYS 1221Ca -0.37 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.80 3fki n LYS 1221Cb 1.09 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 36.14 3fki n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fki n ASN 1222N 6.84 5.46 0.00 4.39 5.03 -1.26 -3.16 115.26 132.56 3fki n ASN 1222Ca 0.00 -2.86 0.00 0.00 0.87 0.00 0.00 54.58 52.59 3fki n ASN 1222Cb 0.00 -0.95 0.00 0.00 -1.02 0.00 0.00 39.78 37.81 3fki n ASN 1222CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3fki n ASP 1223N 0.37 0.61 -3.94 6.41 5.68 -1.26 -5.00 116.55 119.42 3fki n ASP 1223Ca 0.24 -1.18 -0.21 0.00 -0.50 0.00 0.00 54.79 53.13 3fki n ASP 1223Cb 0.67 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.48 3fki n ASP 1223CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3fki s LEU 1224N -0.18 1.47 -0.27 -2.12 2.96 -1.19 -3.18 118.68 116.17 3fki s LEU 1224Ca 0.00 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 3fki s LEU 1224Cb 0.00 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 3fki s LEU 1224CO 0.00 -0.02 0.09 0.12 -1.32 0.00 0.00 176.35 175.22 3fki s PHE 1225N 0.79 3.11 -0.04 5.38 5.36 0.26 -4.86 117.98 127.97 3fki s PHE 1225Ca -0.13 -0.48 0.04 0.00 -0.96 0.00 0.00 56.93 55.41 3fki s PHE 1225Cb -0.15 -2.27 -0.00 0.00 -0.34 0.00 0.00 43.02 40.26 3fki s PHE 1225CO 0.02 -0.39 -0.17 0.14 -1.46 0.00 0.00 175.22 173.36 3fki s VAL 1226N 1.61 1.44 0.05 3.12 -7.23 -1.26 -1.30 120.40 116.83 3fki s VAL 1226Ca 0.06 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 3fki s VAL 1226Cb -0.16 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3fki s VAL 1226CO 0.04 0.42 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.52 3fki s ILE 1227N 0.06 0.74 0.01 -0.62 1.01 -0.64 -5.02 121.20 116.73 3fki s ILE 1227Ca -0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.33 3fki s ILE 1227Cb -0.12 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.58 3fki s ILE 1227CO 0.02 -0.33 0.21 -1.66 0.00 0.00 0.00 174.94 173.18 3fki s TRP 1228N -1.37 -0.03 0.84 3.97 -2.14 -1.26 -1.59 118.94 117.35 3fki s TRP 1228Ca -0.07 -0.03 -0.13 0.00 2.66 0.00 0.00 56.10 58.53 3fki s TRP 1228Cb -0.10 0.01 0.10 0.00 -3.10 0.00 0.00 33.47 30.38 3fki s TRP 1228CO 0.01 -0.36 1.19 -1.54 -2.66 0.00 0.00 176.95 173.59 3fki s SER 1229N -1.55 4.25 0.71 -2.66 1.04 -1.08 -5.04 113.70 109.36 3fki s SER 1229Ca -0.12 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 56.94 3fki s SER 1229Cb -0.05 -1.18 0.02 0.00 0.10 0.00 0.00 66.02 64.91 3fki s SER 1229CO 0.01 -2.07 1.07 -1.61 0.98 0.00 0.00 173.24 171.62 3fki s GLU 1230N -5.59 2.78 0.49 4.02 2.02 -1.26 -4.87 118.70 116.28 3fki s GLU 1230Ca 0.64 0.86 0.28 0.00 0.02 0.00 0.00 54.97 56.77 3fki s GLU 1230Cb -0.10 -1.98 0.99 0.00 0.10 0.00 0.00 34.13 33.14 3fki s GLU 1230CO 0.50 -1.19 1.85 -0.44 0.02 0.00 0.00 175.26 176.00 3fki h ASP 1231N -0.78 0.00 1.01 -0.19 3.32 -1.99 -2.95 116.42 114.85 3fki h ASP 1231Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3fki h ASP 1231Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3fki h ASP 1231CO 0.58 0.08 -0.14 -1.13 -1.72 0.00 0.00 179.24 176.91 3fki h ASN 1232N 0.00 0.00 -4.00 6.45 -1.24 -2.01 -3.46 115.58 111.32 3fki h ASN 1232Ca -0.00 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.54 3fki h ASN 1232Cb 0.71 0.00 0.15 0.00 0.73 0.00 0.00 38.32 39.91 3fki h ASN 1232CO 0.01 0.14 0.23 -1.81 -1.29 0.00 0.00 177.43 174.71 3fki s ASP 1233N -6.04 3.16 0.02 1.15 -0.00 -1.12 -5.00 116.67 108.84 3fki s ASP 1233Ca 0.01 1.40 -0.21 0.00 -0.00 0.00 0.00 52.55 53.75 3fki s ASP 1233Cb 0.10 -2.07 -0.17 0.00 -0.00 0.00 0.00 42.92 40.77 3fki s ASP 1233CO 0.61 -2.83 1.25 1.05 -0.00 0.00 0.00 175.17 175.25 3fki h GLU 1234N -1.68 0.32 -4.50 8.23 4.11 -1.89 -3.45 114.58 115.72 3fki h GLU 1234Ca -0.51 -0.22 -0.47 0.00 0.07 0.00 0.00 59.36 58.23 3fki h GLU 1234Cb 1.30 0.03 -0.33 0.00 0.50 0.00 0.00 28.75 30.25 3fki h GLU 1234CO 0.55 0.82 -0.80 0.15 0.07 0.00 0.00 179.01 179.80 3fki s LYS 1235N -3.93 1.30 -0.18 1.06 1.02 -1.26 -5.04 119.74 112.71 3fki s LYS 1235Ca -0.14 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 3fki s LYS 1235Cb 0.04 -1.14 0.00 0.00 -0.52 0.00 0.00 37.83 36.21 3fki s LYS 1235CO 0.76 0.05 1.03 -0.51 -0.92 0.00 0.00 175.35 175.76 3fki s LEU 1236N 0.53 4.16 -0.03 3.17 1.43 -1.26 -4.93 118.68 121.76 3fki s LEU 1236Ca -0.10 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 3fki s LEU 1236Cb -0.13 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.55 3fki s LEU 1236CO 0.02 -0.58 -0.04 -0.63 0.23 0.00 0.00 176.35 175.34 3fki s ILE 1237N 2.73 0.45 -0.13 -0.59 1.01 -1.26 -2.84 121.20 120.57 3fki s ILE 1237Ca 0.46 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.99 3fki s ILE 1237Cb -0.17 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.87 3fki s ILE 1237CO 0.11 0.17 -0.20 -0.63 0.00 0.00 0.00 174.94 174.39 3fki s ILE 1238N 0.49 1.90 -0.06 2.92 1.01 -0.13 -2.64 121.20 124.69 3fki s ILE 1238Ca -0.06 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.76 3fki s ILE 1238Cb -0.09 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3fki s ILE 1238CO -0.00 0.52 -0.23 -0.13 0.00 0.00 0.00 174.94 175.10 3fki s ARG 1239N 0.85 2.59 0.05 2.79 0.52 -0.62 -0.41 118.95 124.72 3fki s ARG 1239Ca -0.07 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 3fki s ARG 1239Cb -0.15 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 3fki s ARG 1239CO -0.02 0.40 -0.05 0.00 0.02 0.00 0.00 175.30 175.66 3fki s ARG 1241N -2.70 0.54 0.00 0.00 0.52 -0.42 -1.91 118.95 114.98 3fki s ARG 1241Ca -0.02 -0.90 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 3fki s ARG 1241Cb -0.02 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 3fki s ARG 1241CO -0.04 -0.12 -0.17 0.08 0.02 0.00 0.00 175.30 175.07 3fki s VAL 1242N -2.87 1.32 -0.09 3.52 1.01 -1.26 -0.57 120.40 121.46 3fki s VAL 1242Ca -0.03 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3fki s VAL 1242Cb 0.00 -1.12 0.11 0.00 0.00 0.00 0.00 36.38 35.38 3fki s VAL 1242CO -0.06 0.29 0.92 0.54 0.00 0.00 0.00 175.10 176.79 3fki s VAL 1243N -0.51 0.00 -0.41 2.92 0.11 -1.19 -2.46 120.40 118.86 3fki s VAL 1243Ca 0.06 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.18 3fki s VAL 1243Cb -0.07 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 33.96 3fki s VAL 1243CO -0.00 0.00 0.59 0.00 -3.33 0.00 0.00 175.10 172.36 3fki s ARG 1244N -1.90 0.81 -0.25 1.54 1.70 -1.26 -4.67 118.95 114.92 3fki s ARG 1244Ca -0.00 -0.43 -0.20 0.00 -0.47 0.00 0.00 55.73 54.63 3fki s ARG 1244Cb -0.01 -0.07 -0.02 0.00 -0.57 0.00 0.00 34.95 34.28 3fki s ARG 1244CO -0.02 -1.20 0.60 -1.25 -1.08 0.00 0.00 175.30 172.36 3fki s PRO 1245N 1.70 4.12 0.00 3.89 0.04 -1.26 -5.24 135.00 138.24 3fki s PRO 1245Ca 0.17 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.72 3fki s PRO 1245Cb -0.06 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.84 3fki s PRO 1245CO -0.06 -0.37 0.00 0.00 0.04 0.00 0.00 177.00 176.61 3fki n ALA 1254N 5.57 0.00 -2.71 8.56 0.00 -1.26 -5.26 120.51 125.41 3fki n ALA 1254Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 3fki n ALA 1254Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 3fki n ALA 1254CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fki n GLU 1255N 0.00 -3.70 -0.00 0.00 1.02 -1.26 -5.01 120.64 111.69 3fki n GLU 1255Ca 0.00 2.92 0.04 0.00 -0.02 0.00 0.00 57.16 60.09 3fki n GLU 1255Cb 0.00 -5.18 -0.05 0.00 -0.02 0.00 0.00 31.44 26.19 3fki n GLU 1255CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fki n GLU 1256N 0.99 2.81 0.17 3.49 1.02 -1.26 -4.58 120.64 123.28 3fki n GLU 1256Ca -0.11 -0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.02 3fki n GLU 1256Cb 0.18 -0.99 0.28 0.00 -0.02 0.00 0.00 31.44 30.89 3fki n GLU 1256CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3fki h ASP 1257N 0.00 0.00 0.87 1.62 3.32 -1.98 0.13 116.42 120.38 3fki h ASP 1257Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3fki h ASP 1257Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3fki h ASP 1257CO 0.00 0.47 -0.46 -0.74 -1.72 0.00 0.00 179.24 176.79 3fki h HIS 1258N 0.00 0.00 0.00 4.55 2.76 -2.00 -3.23 115.15 117.24 3fki h HIS 1258Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.84 3fki h HIS 1258Cb 0.84 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.74 3fki h HIS 1258CO 0.00 0.46 -2.06 -0.12 -1.30 0.00 0.00 177.93 174.91 3fki n MET 1259N -3.55 0.66 0.15 5.26 0.00 -1.02 -3.75 117.12 114.87 3fki n MET 1259Ca -0.00 0.13 0.12 0.00 -0.00 0.00 0.00 57.70 57.95 3fki n MET 1259Cb 0.57 -1.65 0.53 0.00 0.00 0.00 0.00 33.22 32.67 3fki n MET 1259CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3fki h LEU 1260N 0.00 0.00 0.00 -0.89 5.85 -0.81 -1.24 115.31 118.23 3fki h LEU 1260Ca -0.41 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.03 3fki h LEU 1260Cb 2.10 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.08 3fki h LEU 1260CO 0.05 0.00 -1.63 0.50 -0.34 0.00 0.00 178.44 177.02 3fki h LYS 1261N 0.00 0.00 0.00 1.25 3.64 -1.70 -3.28 116.57 116.47 3fki h LYS 1261Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3fki h LYS 1261Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3fki h LYS 1261CO 0.00 0.52 -0.28 0.87 -2.27 0.00 0.00 179.45 178.28 3fki h LYS 1262N 0.00 0.00 0.00 1.90 1.57 -1.33 -3.11 116.57 115.60 3fki h LYS 1262Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3fki h LYS 1262Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.28 3fki h LYS 1262CO 0.08 0.28 -1.30 0.44 -0.57 0.00 0.00 179.45 178.38 3fki n ILE 1263N -3.46 0.36 -0.24 1.86 -5.35 -0.90 -3.75 119.36 107.89 3fki n ILE 1263Ca -0.00 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.92 3fki n ILE 1263Cb 0.46 -0.15 0.04 0.00 -1.74 0.00 0.00 39.64 38.25 3fki n ILE 1263CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3fki h GLU 1264N 0.00 1.01 -0.01 6.28 4.22 -1.60 -0.90 114.58 123.59 3fki h GLU 1264Ca 0.00 -0.20 -0.18 0.00 0.08 0.00 0.00 59.36 59.07 3fki h GLU 1264Cb 0.96 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3fki h GLU 1264CO 0.00 0.86 -0.80 -0.91 -2.18 0.00 0.00 179.01 175.98 3fki h ASN 1265N 0.96 0.15 0.34 1.04 4.21 -1.73 -3.06 115.58 117.49 3fki h ASN 1265Ca 0.22 -0.12 -0.11 0.00 1.21 0.00 0.00 56.30 57.51 3fki h ASN 1265Cb 0.24 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 3fki h ASN 1265CO -0.01 0.89 -0.45 0.74 -1.29 0.00 0.00 177.43 177.30 3fki h THR 1266N 0.07 1.33 -0.08 2.81 2.02 -1.58 -2.90 112.91 114.58 3fki h THR 1266Ca -0.02 -1.60 -0.11 0.00 0.77 0.00 0.00 66.41 65.45 3fki h THR 1266Cb 1.39 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3fki h THR 1266CO 0.11 0.47 -0.37 0.24 0.37 0.00 0.00 175.52 176.35 3fki h MET 1267N 0.12 0.39 0.00 6.66 2.86 -1.18 -2.69 114.93 121.09 3fki h MET 1267Ca 0.01 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 3fki h MET 1267Cb 0.85 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3fki h MET 1267CO 0.07 0.95 -0.23 -0.07 1.06 0.00 0.00 176.91 178.68 3fki h LEU 1268N -0.07 0.00 0.00 1.22 3.38 -1.52 -3.27 115.31 115.05 3fki h LEU 1268Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fki h LEU 1268Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3fki h LEU 1268CO 0.08 0.23 -0.50 -0.62 0.09 0.00 0.00 178.44 177.72 3fki n GLU 1269N -3.28 2.83 -0.01 1.13 1.02 -1.10 -2.40 120.64 118.84 3fki n GLU 1269Ca 0.01 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.23 3fki n GLU 1269Cb 0.50 -0.71 -0.12 0.00 -0.02 0.00 0.00 31.44 31.09 3fki n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fki n ASN 1270N -1.03 1.47 -4.63 1.62 4.13 -1.02 -4.94 115.26 110.87 3fki n ASN 1270Ca 0.00 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.81 3fki n ASN 1270Cb 0.00 1.67 -0.05 0.00 -1.54 0.00 0.00 39.78 39.85 3fki n ASN 1270CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3fki s ILE 1271N -3.03 4.90 -0.23 2.41 1.01 -1.23 -5.04 121.20 119.98 3fki s ILE 1271Ca -0.05 1.24 -0.14 0.00 0.00 0.00 0.00 60.65 61.70 3fki s ILE 1271Cb 0.10 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3fki s ILE 1271CO 0.63 -0.07 0.34 0.42 0.00 0.00 0.00 174.94 176.26 3fki s THR 1272N 2.70 5.23 -0.11 2.92 -4.23 -1.26 -3.66 115.64 117.22 3fki s THR 1272Ca 0.30 0.55 -0.23 0.00 -1.18 0.00 0.00 61.69 61.13 3fki s THR 1272Cb -0.15 -3.67 -0.20 0.00 1.34 0.00 0.00 72.50 69.82 3fki s THR 1272CO 0.09 0.24 0.69 -0.07 -0.54 0.00 0.00 174.62 175.03 3fki h LEU 1273N 7.90 -0.02 -7.07 4.79 4.07 -1.47 -3.48 115.31 120.03 3fki h LEU 1273Ca -0.35 -0.72 -0.02 0.00 0.08 0.00 0.00 57.88 56.86 3fki h LEU 1273Cb 1.16 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.68 3fki h LEU 1273CO 0.68 0.81 -0.12 -0.60 -1.08 0.00 0.00 178.44 178.13 3fki s ARG 1274N -2.39 0.57 0.00 1.13 3.52 -1.25 -5.05 118.95 115.48 3fki s ARG 1274Ca -0.15 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 3fki s ARG 1274Cb -0.02 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 3fki s ARG 1274CO 0.55 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 3fki n GLY 1275N 4.53 -0.17 3.55 8.12 0.00 -1.25 -2.91 105.19 117.06 3fki n GLY 1275Ca -0.19 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.26 3fki n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 1276N 0.00 3.36 0.81 1.61 1.01 0.61 -4.90 120.40 122.90 3fki s VAL 1276Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3fki s VAL 1276Cb 0.00 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.99 3fki s VAL 1276CO 0.00 0.31 1.11 -1.83 0.00 0.00 0.00 175.10 174.69 3fki s GLU 1277N -1.62 1.89 -1.54 2.72 -1.05 -1.26 -3.68 118.70 114.15 3fki s GLU 1277Ca 0.18 1.31 0.00 0.00 -0.15 0.00 0.00 54.97 56.31 3fki s GLU 1277Cb -0.11 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 3fki s GLU 1277CO 0.09 -1.94 0.00 0.09 0.95 0.00 0.00 175.26 174.44 3fki n ASN 1278N -3.69 -4.65 -3.79 0.83 3.02 -1.26 -4.75 115.26 100.98 3fki n ASN 1278Ca 0.10 0.22 -0.29 0.00 -0.03 0.00 0.00 54.58 54.58 3fki n ASN 1278Cb 0.53 -4.02 -0.16 0.00 -0.61 0.00 0.00 39.78 35.52 3fki n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fki s ILE 1279N -2.64 0.98 0.29 2.41 1.01 -1.24 -3.43 121.20 118.57 3fki s ILE 1279Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 60.65 59.56 3fki s ILE 1279Cb 0.00 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 3fki s ILE 1279CO 0.00 -0.42 -0.09 -1.61 0.00 0.00 0.00 174.94 172.82 3fki s GLU 1280N 1.60 1.63 -0.36 2.79 2.02 -1.23 -0.58 118.70 124.57 3fki s GLU 1280Ca 0.03 -1.82 -0.18 0.00 0.02 0.00 0.00 54.97 53.03 3fki s GLU 1280Cb -0.18 -1.37 0.03 0.00 0.10 0.00 0.00 34.13 32.71 3fki s GLU 1280CO -0.15 0.11 0.44 0.54 0.02 0.00 0.00 175.26 176.21 3fki n ARG 1281N -0.63 -2.17 -3.61 1.61 1.74 -1.26 -1.45 116.66 110.88 3fki n ARG 1281Ca -0.05 1.86 -0.37 0.00 -0.77 0.00 0.00 57.85 58.51 3fki n ARG 1281Cb 0.63 -3.92 -0.10 0.00 -1.02 0.00 0.00 32.46 28.05 3fki n ARG 1281CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fki s VAL 1282N -1.88 5.33 -0.13 1.55 1.01 -1.26 -3.41 120.40 121.61 3fki s VAL 1282Ca 0.22 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 3fki s VAL 1282Cb -0.04 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3fki s VAL 1282CO 0.71 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 175.32 3fki s VAL 1283N 1.34 3.37 -0.00 2.92 1.01 0.83 -4.93 120.40 124.94 3fki s VAL 1283Ca 0.08 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 3fki s VAL 1283Cb -0.14 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3fki s VAL 1283CO 0.07 0.52 0.79 -0.04 0.00 0.00 0.00 175.10 176.44 3fki s MET 1284N 0.20 4.49 -0.02 2.72 -1.94 -1.26 -1.27 119.30 122.23 3fki s MET 1284Ca -0.06 1.07 -0.00 0.00 -1.71 0.00 0.00 55.69 54.99 3fki s MET 1284Cb -0.15 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.30 3fki s MET 1284CO 0.04 0.14 0.03 -1.64 -0.01 0.00 0.00 175.02 173.59 3fki s MET 1285N 0.45 -0.01 -1.02 2.03 -1.94 0.19 -5.00 119.30 114.00 3fki s MET 1285Ca 0.41 0.13 -0.13 0.00 -1.71 0.00 0.00 55.69 54.39 3fki s MET 1285Cb -0.20 -0.14 0.21 0.00 2.01 0.00 0.00 34.83 36.71 3fki s MET 1285CO 0.22 -0.10 1.10 0.21 -0.01 0.00 0.00 175.02 176.44 3fki s LYS 1286N 0.66 3.90 0.53 2.03 2.20 -1.26 0.15 119.74 127.95 3fki s LYS 1286Ca -0.05 -2.58 -0.16 0.00 -0.36 0.00 0.00 55.97 52.81 3fki s LYS 1286Cb -0.08 -4.71 -0.07 0.00 -1.51 0.00 0.00 37.83 31.46 3fki s LYS 1286CO -0.02 -1.48 1.00 0.71 -0.36 0.00 0.00 175.35 175.20 3fki s TYR 1287N 0.56 3.39 -0.12 4.03 2.02 -1.04 -4.86 117.35 121.33 3fki s TYR 1287Ca 0.30 1.47 -0.18 0.00 -0.37 0.00 0.00 57.07 58.29 3fki s TYR 1287Cb -0.07 -2.82 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 3fki s TYR 1287CO -0.07 -0.49 0.48 -0.51 -1.57 0.00 0.00 175.55 173.39 3fki s ASP 1288N -3.06 6.69 -0.03 2.29 1.01 -1.26 -2.53 116.67 119.78 3fki s ASP 1288Ca 0.59 0.82 0.00 0.00 0.71 0.00 0.00 52.55 54.67 3fki s ASP 1288Cb -0.11 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.56 3fki s ASP 1288CO 0.33 0.00 0.01 -0.60 0.21 0.00 0.00 175.17 175.12 3fki s ARG 1289N 0.61 0.21 -0.10 8.23 3.52 -1.25 -5.01 118.95 125.16 3fki s ARG 1289Ca 0.26 0.11 -0.24 0.00 -0.13 0.00 0.00 55.73 55.74 3fki s ARG 1289Cb -0.15 -0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 32.77 3fki s ARG 1289CO 0.10 -0.15 0.73 0.15 -0.81 0.00 0.00 175.30 175.32 3fki s LYS 1290N 1.09 4.39 -0.07 5.12 1.02 -1.26 -1.95 119.74 128.07 3fki s LYS 1290Ca -0.09 0.90 -0.04 0.00 0.02 0.00 0.00 55.97 56.75 3fki s LYS 1290Cb -0.13 -3.49 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3fki s LYS 1290CO -0.02 -0.06 0.17 0.54 -0.92 0.00 0.00 175.35 175.06 3fki s VAL 1291N 1.22 -0.02 -0.01 3.17 0.11 -1.04 -4.78 120.40 119.05 3fki s VAL 1291Ca 0.37 0.09 -0.33 0.00 -2.93 0.00 0.00 61.98 59.18 3fki s VAL 1291Cb -0.17 -0.25 -0.11 0.00 -1.53 0.00 0.00 36.38 34.31 3fki s VAL 1291CO 0.16 0.04 1.86 -0.81 -3.33 0.00 0.00 175.10 173.02 3fki n PRO 1292N 3.61 2.37 -2.30 1.54 -0.04 -1.26 -2.89 135.00 136.04 3fki n PRO 1292Ca -0.19 0.87 -0.34 0.00 -0.04 0.00 0.00 63.50 63.80 3fki n PRO 1292Cb 0.55 -2.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.27 3fki n PRO 1292CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fki s SER 1293N 3.60 6.00 0.59 3.54 0.15 0.82 -4.91 113.70 123.50 3fki s SER 1293Ca 0.89 1.93 0.29 0.00 0.70 0.00 0.00 55.95 59.76 3fki s SER 1293Cb -0.62 -2.55 1.30 0.00 -1.71 0.00 0.00 66.02 62.44 3fki s SER 1293CO 0.47 -1.02 1.68 1.55 1.20 0.00 0.00 173.24 177.12 3fki h PRO 1294N 1.05 0.00 0.00 5.44 0.13 -1.94 0.44 132.00 137.13 3fki h PRO 1294Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 3fki h PRO 1294Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3fki h PRO 1294CO 0.58 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.18 3fki h THR 1295N 0.00 0.32 0.00 1.56 1.03 -2.02 -3.48 112.91 110.32 3fki h THR 1295Ca 0.34 -1.23 0.00 0.00 -0.01 0.00 0.00 66.41 65.52 3fki h THR 1295Cb 1.91 1.97 0.00 0.00 -1.07 0.00 0.00 68.15 70.96 3fki h THR 1295CO -0.00 0.16 0.00 0.61 -0.01 0.00 0.00 175.52 176.28 3fki n GLY 1296N 0.75 1.97 3.77 2.99 0.00 0.15 -3.33 105.19 111.49 3fki n GLY 1296Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3fki n GLY 1296CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fki s GLU 1297N -0.08 4.35 -0.99 1.61 2.02 -1.26 -4.20 118.70 120.15 3fki s GLU 1297Ca 0.00 1.96 -0.23 0.00 0.02 0.00 0.00 54.97 56.72 3fki s GLU 1297Cb 0.00 -2.98 0.04 0.00 0.10 0.00 0.00 34.13 31.28 3fki s GLU 1297CO 0.00 -0.10 1.50 0.71 0.02 0.00 0.00 175.26 177.39 3fki s TYR 1298N -1.24 2.44 -0.06 1.61 1.51 -1.26 -0.12 117.35 120.23 3fki s TYR 1298Ca 0.50 -0.64 -0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3fki s TYR 1298Cb -0.34 -4.63 -0.04 0.00 -0.11 0.00 0.00 41.96 36.84 3fki s TYR 1298CO 0.44 -1.93 0.12 0.08 -1.11 0.00 0.00 175.55 173.15 3fki s VAL 1299N 5.57 5.15 -0.47 0.71 1.01 -1.14 -4.85 120.40 126.37 3fki s VAL 1299Ca 0.48 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 3fki s VAL 1299Cb -0.01 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.08 3fki s VAL 1299CO -0.08 0.49 1.40 -0.54 0.00 0.00 0.00 175.10 176.37 3fki s LYS 1300N -1.38 3.47 -0.38 2.72 1.02 -1.26 -2.48 119.74 121.45 3fki s LYS 1300Ca 0.19 0.74 -0.09 0.00 0.02 0.00 0.00 55.97 56.83 3fki s LYS 1300Cb -0.12 -4.06 0.05 0.00 -0.52 0.00 0.00 37.83 33.18 3fki s LYS 1300CO 0.09 -1.70 0.19 -2.00 -0.92 0.00 0.00 175.35 171.02 3fki s GLU 1301N 5.13 2.70 0.08 1.68 2.12 -0.82 -4.97 118.70 124.62 3fki s GLU 1301Ca 0.57 -1.22 -0.31 0.00 0.36 0.00 0.00 54.97 54.38 3fki s GLU 1301Cb -0.12 -3.67 -0.08 0.00 0.26 0.00 0.00 34.13 30.53 3fki s GLU 1301CO 0.30 -0.76 1.50 -1.25 -0.54 0.00 0.00 175.26 174.50 3fki s PRO 1302N 1.47 4.26 -0.04 4.30 0.04 -1.26 -3.83 135.00 139.94 3fki s PRO 1302Ca 0.01 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.25 3fki s PRO 1302Cb -0.20 -3.43 -0.00 0.00 0.04 0.00 0.00 34.50 30.91 3fki s PRO 1302CO 0.04 -0.59 -0.15 -1.83 0.04 0.00 0.00 177.00 174.52 3fki s GLU 1303N 1.92 1.53 0.18 4.56 -1.05 -1.05 -4.59 118.70 120.20 3fki s GLU 1303Ca 0.68 -0.52 -0.30 0.00 -0.15 0.00 0.00 54.97 54.68 3fki s GLU 1303Cb -0.37 -1.35 -0.08 0.00 -0.44 0.00 0.00 34.13 31.89 3fki s GLU 1303CO 0.30 0.21 1.18 -1.58 0.95 0.00 0.00 175.26 176.32 3fki s TRP 1304N 0.07 3.45 -0.01 4.83 0.52 -1.25 -2.49 118.94 124.07 3fki s TRP 1304Ca -0.03 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.54 3fki s TRP 1304Cb -0.10 -3.41 0.01 0.00 -1.15 0.00 0.00 33.47 28.81 3fki s TRP 1304CO 0.02 -1.11 -0.01 0.08 0.02 0.00 0.00 176.95 175.94 3fki s VAL 1305N -0.08 0.15 -0.06 4.03 1.01 0.12 -4.54 120.40 121.03 3fki s VAL 1305Ca 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 3fki s VAL 1305Cb -0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3fki s VAL 1305CO 0.36 0.07 0.18 -0.76 0.00 0.00 0.00 175.10 174.95 3fki s LEU 1306N 0.25 4.38 -0.05 3.92 1.43 -1.13 -0.63 118.68 126.84 3fki s LEU 1306Ca -0.02 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3fki s LEU 1306Cb -0.04 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.83 3fki s LEU 1306CO -0.01 0.33 -0.07 -1.61 0.23 0.00 0.00 176.35 175.22 3fki s GLU 1307N -1.49 1.13 0.00 1.70 2.02 -0.40 -1.58 118.70 120.08 3fki s GLU 1307Ca 0.22 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.00 3fki s GLU 1307Cb -0.12 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.06 3fki s GLU 1307CO 0.12 -0.05 0.00 -2.37 0.02 0.00 0.00 175.26 172.97 3fki n THR 1308N 4.00 0.00 -2.92 3.63 5.66 -1.14 -0.12 114.28 123.39 3fki n THR 1308Ca -0.24 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.63 3fki n THR 1308Cb 0.51 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 3fki n THR 1308CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3fki n ASP 1309N 0.00 -1.92 0.00 1.09 2.03 -0.53 -4.39 116.55 112.84 3fki n ASP 1309Ca 0.00 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.28 3fki n ASP 1309Cb 0.00 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 3fki n ASP 1309CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fki n GLY 1310N 1.80 3.58 3.41 0.27 0.00 -1.26 -3.49 105.19 109.50 3fki n GLY 1310Ca 0.15 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3fki n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fki s VAL 1311N -2.00 3.30 -0.32 1.61 1.01 -1.22 -4.19 120.40 118.59 3fki s VAL 1311Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3fki s VAL 1311Cb 0.00 -2.41 0.31 0.00 0.00 0.00 0.00 36.38 34.28 3fki s VAL 1311CO 0.00 0.51 1.29 -3.20 0.00 0.00 0.00 175.10 173.71 3fki n ASN 1312N 3.53 -1.43 -0.31 3.32 5.15 -1.26 -4.87 115.26 119.39 3fki n ASN 1312Ca -0.18 -2.10 0.04 0.00 -0.60 0.00 0.00 54.58 51.74 3fki n ASN 1312Cb 0.53 0.78 0.12 0.00 -0.53 0.00 0.00 39.78 40.68 3fki n ASN 1312CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3fki h LEU 1313N 1.29 -0.79 -2.33 1.20 5.85 -1.93 -2.05 115.31 116.54 3fki h LEU 1313Ca -0.35 0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3fki h LEU 1313Cb 1.26 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 3fki h LEU 1313CO -0.13 -0.29 0.22 0.77 -0.34 0.00 0.00 178.44 178.68 3fki h SER 1314N 0.00 0.00 0.00 1.25 4.64 -1.98 -1.11 113.55 116.35 3fki h SER 1314Ca 0.42 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.63 3fki h SER 1314Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 3fki h SER 1314CO -0.89 0.00 -1.92 -0.62 -0.87 0.00 0.00 176.83 172.53 3fki n GLU 1315N -3.08 0.85 0.13 4.77 -0.58 -0.78 -4.40 120.64 117.55 3fki n GLU 1315Ca -0.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 57.16 56.60 3fki n GLU 1315Cb 0.29 -1.41 0.15 0.00 -0.57 0.00 0.00 31.44 29.89 3fki n GLU 1315CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3fki h VAL 1316N 0.00 1.45 -0.08 2.62 2.07 -1.19 -3.21 116.25 117.91 3fki h VAL 1316Ca -0.17 -2.16 -0.05 0.00 0.82 0.00 0.00 66.70 65.14 3fki h VAL 1316Cb 1.26 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 3fki h VAL 1316CO 0.01 0.62 -0.18 -0.03 0.02 0.00 0.00 177.57 178.01 3fki h MET 1317N 0.02 0.13 0.00 1.57 -1.53 -1.64 -3.00 114.93 110.49 3fki h MET 1317Ca -0.01 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.18 3fki h MET 1317Cb 1.13 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 32.16 3fki h MET 1317CO 0.08 0.32 -0.21 1.79 0.14 0.00 0.00 176.91 179.04 3fki h THR 1318N 0.12 0.39 -1.88 -0.77 1.35 -1.78 -3.46 112.91 106.89 3fki h THR 1318Ca 0.02 -1.33 -0.65 0.00 -0.55 0.00 0.00 66.41 63.90 3fki h THR 1318Cb 0.40 2.00 0.03 0.00 -1.73 0.00 0.00 68.15 68.85 3fki h THR 1318CO 0.03 0.20 0.93 0.52 -0.25 0.00 0.00 175.52 176.94 3fki n VAL 1319N -3.21 0.35 -2.33 6.82 0.31 -1.13 -4.93 118.33 114.21 3fki n VAL 1319Ca 0.02 -0.06 -0.36 0.00 -0.01 0.00 0.00 64.34 63.92 3fki n VAL 1319Cb 0.54 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 3fki n VAL 1319CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3fki s PRO 1320N 3.05 3.78 0.00 5.55 0.04 -1.26 -3.96 135.00 142.20 3fki s PRO 1320Ca 0.91 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3fki s PRO 1320Cb -0.83 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.35 3fki s PRO 1320CO 0.53 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.47 3fki n GLY 1321N 0.34 0.72 3.73 0.56 0.00 -1.26 -4.99 105.19 104.29 3fki n GLY 1321Ca 0.08 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3fki n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fki s ILE 1322N -2.00 1.24 -0.46 -0.61 -4.36 -1.25 -3.06 121.20 110.70 3fki s ILE 1322Ca 0.00 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 3fki s ILE 1322Cb 0.00 -2.28 0.06 0.00 1.25 0.00 0.00 42.46 41.48 3fki s ILE 1322CO 0.00 0.00 0.41 -0.62 0.24 0.00 0.00 174.94 174.97 3fki s ASP 1323N -3.84 6.15 -0.16 4.36 -1.08 0.43 -3.91 116.67 118.62 3fki s ASP 1323Ca 0.10 -1.13 -0.00 0.00 -0.52 0.00 0.00 52.55 51.00 3fki s ASP 1323Cb 0.03 -2.19 0.12 0.00 -1.46 0.00 0.00 42.92 39.41 3fki s ASP 1323CO 0.05 -0.63 1.94 -0.81 0.52 0.00 0.00 175.17 176.25 3fki n PRO 1324N 5.34 1.41 0.00 4.34 -0.04 -1.26 -3.45 135.00 141.34 3fki n PRO 1324Ca -0.11 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 3fki n PRO 1324Cb 0.45 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 3fki n PRO 1324CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3fki n THR 1325N 0.83 0.00 0.86 0.52 -1.04 -1.26 -4.85 114.28 109.35 3fki n THR 1325Ca 0.16 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.27 3fki n THR 1325Cb 0.56 -0.24 0.06 0.00 -1.82 0.00 0.00 70.33 68.89 3fki n THR 1325CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3fki n ARG 1326N -1.70 1.75 -1.70 -2.82 0.63 -1.22 -4.97 116.66 106.62 3fki n ARG 1326Ca 0.00 -1.50 -0.42 0.00 -0.92 0.00 0.00 57.85 55.01 3fki n ARG 1326Cb 0.20 -1.39 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 3fki n ARG 1326CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3fki n ILE 1327N 0.82 0.21 -4.23 5.15 3.06 -1.25 -4.77 119.36 118.36 3fki n ILE 1327Ca 0.11 -0.04 -0.17 0.00 -2.50 0.00 0.00 62.75 60.15 3fki n ILE 1327Cb 0.49 -2.09 -0.15 0.00 0.54 0.00 0.00 39.64 38.43 3fki n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 3fki s TYR 1328N 2.09 0.63 0.05 9.51 5.04 -0.42 -5.02 117.35 129.22 3fki s TYR 1328Ca 0.79 -0.13 0.08 0.00 -2.44 0.00 0.00 57.07 55.37 3fki s TYR 1328Cb -0.48 -0.43 -0.03 0.00 0.35 0.00 0.00 41.96 41.37 3fki s TYR 1328CO 0.35 -0.04 -0.23 0.99 -1.34 0.00 0.00 175.55 175.28 3fki s THR 1329N 0.02 1.86 0.20 4.34 2.01 -1.26 0.75 115.64 123.56 3fki s THR 1329Ca 0.00 -1.28 0.14 0.00 0.31 0.00 0.00 61.69 60.86 3fki s THR 1329Cb -0.05 -1.61 0.04 0.00 0.01 0.00 0.00 72.50 70.90 3fki s THR 1329CO -0.00 0.27 1.64 -0.55 -0.69 0.00 0.00 174.62 175.29 3fki h ASN 1330N 4.82 0.00 -0.84 3.53 -1.07 -1.84 -3.39 115.58 116.79 3fki h ASN 1330Ca -0.44 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.55 3fki h ASN 1330Cb 1.15 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.34 3fki h ASN 1330CO 0.44 0.52 0.96 -0.55 0.07 0.00 0.00 177.43 178.86 3fki s SER 1331N -6.63 5.53 0.51 6.14 0.15 -1.26 -4.79 113.70 113.34 3fki s SER 1331Ca -0.00 -0.89 0.28 0.00 0.70 0.00 0.00 55.95 56.04 3fki s SER 1331Cb 0.12 -2.56 1.31 0.00 -1.71 0.00 0.00 66.02 63.18 3fki s SER 1331CO 0.73 -2.39 1.99 2.19 1.20 0.00 0.00 173.24 176.96 3fki h PHE 1332N 10.89 0.00 -0.35 3.44 -5.15 -1.91 -2.90 116.94 120.96 3fki h PHE 1332Ca 0.12 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.96 3fki h PHE 1332Cb 1.01 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.12 3fki h PHE 1332CO 1.23 0.13 -0.03 0.82 -2.00 0.00 0.00 178.31 178.46 3fki h ILE 1333N 0.00 0.71 0.00 0.88 1.08 -1.93 0.26 117.51 118.51 3fki h ILE 1333Ca -0.00 -0.02 -0.11 0.00 -0.39 0.00 0.00 64.86 64.34 3fki h ILE 1333Cb 0.49 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 3fki h ILE 1333CO 0.02 0.01 -0.53 0.44 -0.69 0.00 0.00 178.15 177.40 3fki h ASP 1334N 0.06 0.00 -0.19 1.72 3.45 -1.93 -2.10 116.42 117.44 3fki h ASP 1334Ca 0.17 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.47 3fki h ASP 1334Cb 0.24 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 3fki h ASP 1334CO -0.31 0.53 -0.47 0.40 -1.57 0.00 0.00 179.24 177.82 3fki h ILE 1335N 0.00 1.29 -0.35 0.35 2.04 -1.36 -2.82 117.51 116.66 3fki h ILE 1335Ca -0.01 -1.66 -0.07 0.00 1.00 0.00 0.00 64.86 64.13 3fki h ILE 1335Cb 1.13 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3fki h ILE 1335CO 0.07 0.54 -0.07 -0.03 0.00 0.00 0.00 178.15 178.65 3fki h MET 1336N 0.60 0.58 -0.25 2.37 4.05 -0.32 0.14 114.93 122.10 3fki h MET 1336Ca 0.03 -0.16 -0.10 0.00 -0.28 0.00 0.00 59.70 59.20 3fki h MET 1336Cb 1.03 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 3fki h MET 1336CO 0.10 0.65 -0.27 0.93 0.23 0.00 0.00 176.91 178.56 3fki h GLU 1337N 0.54 0.49 0.00 0.39 5.08 -1.26 -3.25 114.58 116.58 3fki h GLU 1337Ca 0.10 -0.19 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 3fki h GLU 1337Cb 0.45 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3fki h GLU 1337CO 0.02 0.72 -1.81 0.28 -1.00 0.00 0.00 179.01 177.22 3fki n VAL 1338N -4.11 0.80 0.12 3.13 0.31 -1.08 -4.66 118.33 112.84 3fki n VAL 1338Ca -0.00 -0.26 0.06 0.00 -0.01 0.00 0.00 64.34 64.13 3fki n VAL 1338Cb 0.42 -1.34 0.24 0.00 -0.91 0.00 0.00 33.84 32.25 3fki n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3fki n LEU 1339N -3.28 3.32 0.00 7.52 4.77 0.47 -5.04 117.00 124.76 3fki n LEU 1339Ca -0.27 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 3fki n LEU 1339Cb 0.73 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3fki n LEU 1339CO 0.08 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3fki n GLY 1340N 0.90 -0.83 0.19 -0.72 0.00 -1.22 -4.20 105.19 99.30 3fki n GLY 1340Ca 0.17 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 3fki n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fki h ILE 1341N 0.00 1.33 -0.53 -0.61 2.10 -1.90 -2.87 117.51 115.03 3fki h ILE 1341Ca 0.00 -1.89 -0.02 0.00 1.08 0.00 0.00 64.86 64.03 3fki h ILE 1341Cb 0.00 2.13 -0.02 0.00 -1.09 0.00 0.00 36.82 37.83 3fki h ILE 1341CO 0.00 0.58 0.26 -0.33 -1.08 0.00 0.00 178.15 177.58 3fki h GLU 1342N 0.28 0.76 -0.02 2.19 4.39 -1.95 -0.83 114.58 119.39 3fki h GLU 1342Ca -0.04 -0.11 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 3fki h GLU 1342Cb 1.26 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3fki h GLU 1342CO 0.13 0.62 -0.62 0.00 -1.16 0.00 0.00 179.01 177.97 3fki h ALA 1343N 1.10 0.92 -0.92 3.43 0.00 -1.73 -3.00 119.26 119.06 3fki h ALA 1343Ca 0.18 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3fki h ALA 1343Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3fki h ALA 1343CO -0.02 0.76 0.52 0.78 0.00 0.00 0.00 179.25 181.29 3fki h GLY 1344N 1.73 1.35 0.96 0.00 0.00 -1.14 -0.10 103.07 105.87 3fki h GLY 1344Ca -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3fki h GLY 1344CO 0.09 0.57 0.02 -0.09 0.00 0.00 0.00 176.54 177.13 3fki h ARG 1345N 1.28 0.04 -0.49 4.80 2.43 -1.12 -2.14 114.38 119.17 3fki h ARG 1345Ca 0.33 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.51 3fki h ARG 1345Cb -0.00 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3fki h ARG 1345CO -0.06 0.07 0.33 0.00 -1.51 0.00 0.00 179.97 178.80 3fki h ALA 1346N 0.97 1.70 -0.21 2.80 0.00 -1.29 -0.46 119.26 122.77 3fki h ALA 1346Ca 0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3fki h ALA 1346Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fki h ALA 1346CO -0.00 0.26 -0.47 0.00 0.00 0.00 0.00 179.25 179.04 3fki h ALA 1347N 1.70 0.79 -0.19 0.00 0.00 -0.91 -1.90 119.26 118.74 3fki h ALA 1347Ca 0.19 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3fki h ALA 1347Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fki h ALA 1347CO -0.04 0.67 -0.07 1.25 0.00 0.00 0.00 179.25 181.05 3fki h LEU 1348N 0.43 0.40 -0.48 0.00 5.85 -0.56 -2.21 115.31 118.74 3fki h LEU 1348Ca 0.02 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3fki h LEU 1348Cb 0.99 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3fki h LEU 1348CO 0.09 0.70 0.31 0.22 -0.34 0.00 0.00 178.44 179.41 3fki h TYR 1349N 0.09 0.58 -0.02 1.25 3.20 -1.14 0.56 116.97 121.48 3fki h TYR 1349Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3fki h TYR 1349Cb 0.54 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3fki h TYR 1349CO 0.06 0.35 -0.14 -0.22 -1.64 0.00 0.00 178.16 176.57 3fki h LYS 1350N 0.62 0.03 0.11 1.82 3.11 -1.31 0.34 116.57 121.30 3fki h LYS 1350Ca 0.19 -0.01 -0.17 0.00 -2.81 0.00 0.00 60.65 57.85 3fki h LYS 1350Cb -0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.21 3fki h LYS 1350CO -0.06 0.18 -0.75 1.49 -2.81 0.00 0.00 179.45 177.50 3fki h GLU 1351N 0.03 0.31 -0.62 1.90 4.57 -0.96 -2.95 114.58 116.86 3fki h GLU 1351Ca 0.01 -0.48 0.05 0.00 -1.18 0.00 0.00 59.36 57.76 3fki h GLU 1351Cb 0.27 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3fki h GLU 1351CO 0.02 1.21 0.34 0.28 -1.18 0.00 0.00 179.01 179.68 3fki h VAL 1352N -0.35 0.98 -0.48 0.32 2.07 -0.55 -2.31 116.25 115.93 3fki h VAL 1352Ca -0.13 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3fki h VAL 1352Cb 1.56 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3fki h VAL 1352CO 0.14 0.12 0.28 0.22 0.02 0.00 0.00 177.57 178.34 3fki h TYR 1353N 0.64 0.51 0.00 1.57 3.20 -1.05 -2.49 116.97 119.36 3fki h TYR 1353Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3fki h TYR 1353Cb 0.15 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3fki h TYR 1353CO -0.08 0.29 0.00 0.09 -1.64 0.00 0.00 178.16 176.81 3fki n ASN 1354N -4.84 0.00 -0.10 -2.11 4.13 -0.89 -0.75 115.26 110.71 3fki n ASN 1354Ca 0.03 0.05 -0.21 0.00 1.68 0.00 0.00 54.58 56.13 3fki n ASN 1354Cb 0.09 -0.26 -0.12 0.00 -1.54 0.00 0.00 39.78 37.95 3fki n ASN 1354CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3fki h VAL 1355N 0.00 1.02 0.01 2.41 2.07 -1.21 -3.35 116.25 117.20 3fki h VAL 1355Ca 0.00 -2.20 -0.15 0.00 0.82 0.00 0.00 66.70 65.17 3fki h VAL 1355Cb 0.11 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3fki h VAL 1355CO 0.00 0.35 -0.60 0.40 0.02 0.00 0.00 177.57 177.74 3fki h ILE 1356N -0.99 1.44 0.00 4.57 2.04 -1.42 -3.29 117.51 119.85 3fki h ILE 1356Ca -0.31 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.44 3fki h ILE 1356Cb 1.27 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 3fki h ILE 1356CO -0.18 0.61 0.00 0.00 0.00 0.00 0.00 178.15 178.58 3fki h ALA 1357N 0.30 1.00 0.00 1.87 0.00 -1.06 -2.22 119.26 119.15 3fki h ALA 1357Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fki h ALA 1357Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3fki h ALA 1357CO 0.12 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.03 3fki h SER 1358N 0.00 0.00 -0.75 0.00 4.64 -1.69 -3.29 113.55 112.45 3fki h SER 1358Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3fki h SER 1358Cb 0.34 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.21 3fki h SER 1358CO 0.00 0.00 0.37 0.47 -0.87 0.00 0.00 176.83 176.80 3fki n ASP 1359N -2.45 3.49 -1.88 4.97 9.92 -0.84 -4.93 116.55 124.84 3fki n ASP 1359Ca 0.05 -3.60 -0.17 0.00 -0.53 0.00 0.00 54.79 50.53 3fki n ASP 1359Cb 0.42 -0.76 -0.01 0.00 -0.64 0.00 0.00 41.12 40.12 3fki n ASP 1359CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fki n GLY 1360N -1.01 -0.17 3.15 0.44 0.00 -1.24 -5.00 105.19 101.35 3fki n GLY 1360Ca 0.49 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 3fki n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fki s SER 1361N -2.28 2.06 -0.13 1.61 0.01 -1.25 -5.10 113.70 108.62 3fki s SER 1361Ca 0.00 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 3fki s SER 1361Cb 0.00 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 3fki s SER 1361CO 0.00 0.18 -0.01 -0.47 0.41 0.00 0.00 173.24 173.35 3fki s TYR 1362N -0.19 3.09 -0.00 2.43 5.04 -1.26 -3.90 117.35 122.55 3fki s TYR 1362Ca 0.02 -0.06 0.04 0.00 -2.44 0.00 0.00 57.07 54.63 3fki s TYR 1362Cb -0.09 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 3fki s TYR 1362CO 0.01 0.19 -0.12 0.08 -1.34 0.00 0.00 175.55 174.37 3fki s VAL 1363N -0.15 0.92 0.62 3.14 1.01 -1.26 -4.66 120.40 120.02 3fki s VAL 1363Ca 0.04 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 3fki s VAL 1363Cb -0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3fki s VAL 1363CO 0.02 0.20 1.19 0.21 0.00 0.00 0.00 175.10 176.72 3fki s ASN 1364N -0.43 5.07 0.13 3.32 3.84 -1.23 -4.96 114.94 120.69 3fki s ASN 1364Ca 0.04 2.32 -0.25 0.00 0.21 0.00 0.00 52.86 55.18 3fki s ASN 1364Cb -0.05 -2.59 -0.03 0.00 -0.55 0.00 0.00 41.25 38.03 3fki s ASN 1364CO -0.00 -1.67 1.63 0.22 -2.79 0.00 0.00 177.10 174.49 3fki h TYR 1365N 0.64 -0.73 -0.91 0.43 3.20 -1.98 -3.18 116.97 114.44 3fki h TYR 1365Ca -0.50 0.03 0.20 0.00 3.14 0.00 0.00 58.73 61.60 3fki h TYR 1365Cb 1.29 0.33 -0.11 0.00 1.54 0.00 0.00 36.73 39.78 3fki h TYR 1365CO 0.48 -0.35 0.45 0.07 -1.64 0.00 0.00 178.16 177.17 3fki h ARG 1366N -0.36 0.51 0.07 1.82 0.11 -1.93 0.11 114.38 114.71 3fki h ARG 1366Ca 0.09 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 3fki h ARG 1366Cb 0.49 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3fki h ARG 1366CO -0.29 0.34 -0.03 0.45 0.10 0.00 0.00 179.97 180.53 3fki h HIS 1367N 0.52 -0.09 -0.11 4.08 3.86 -1.90 0.22 115.15 121.74 3fki h HIS 1367Ca 0.54 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.63 3fki h HIS 1367Cb 0.94 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3fki h HIS 1367CO -0.09 0.13 -0.47 0.52 0.86 0.00 0.00 177.93 178.87 3fki h MET 1368N -0.29 0.27 -0.06 2.45 2.86 -1.59 -2.89 114.93 115.69 3fki h MET 1368Ca -0.01 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 3fki h MET 1368Cb 0.25 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3fki h MET 1368CO 0.02 0.69 -0.43 0.00 1.06 0.00 0.00 176.91 178.25 3fki h ALA 1369N 1.29 1.18 0.00 6.32 0.00 -0.53 -0.88 119.26 126.65 3fki h ALA 1369Ca 0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3fki h ALA 1369Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3fki h ALA 1369CO 0.08 0.57 -0.00 1.25 0.00 0.00 0.00 179.25 181.15 3fki h LEU 1370N 0.11 -0.00 -0.51 0.00 5.85 -0.49 -2.46 115.31 117.80 3fki h LEU 1370Ca 0.01 -0.61 0.06 0.00 0.84 0.00 0.00 57.88 58.18 3fki h LEU 1370Cb 0.80 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 3fki h LEU 1370CO 0.06 0.61 0.21 0.25 -0.34 0.00 0.00 178.44 179.23 3fki h LEU 1371N -0.61 0.25 -1.60 2.25 5.85 -1.46 0.34 115.31 120.34 3fki h LEU 1371Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3fki h LEU 1371Cb 0.61 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3fki h LEU 1371CO 0.00 0.17 -0.22 1.62 -0.34 0.00 0.00 178.44 179.68 3fki h VAL 1372N 0.41 1.07 -0.00 1.05 3.04 -1.22 -2.05 116.25 118.54 3fki h VAL 1372Ca 0.24 -0.76 -0.08 0.00 -1.01 0.00 0.00 66.70 65.10 3fki h VAL 1372Cb 0.23 1.42 0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3fki h VAL 1372CO -0.22 0.21 -0.31 0.44 -1.01 0.00 0.00 177.57 176.68 3fki h ASP 1373N 0.00 0.27 -0.38 3.17 3.32 -0.81 -3.13 116.42 118.86 3fki h ASP 1373Ca -0.00 -0.78 0.05 0.00 0.02 0.00 0.00 57.03 56.32 3fki h ASP 1373Cb 0.40 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3fki h ASP 1373CO 0.03 1.01 0.26 0.58 -1.72 0.00 0.00 179.24 179.40 3fki h VAL 1374N -0.44 0.97 0.00 -1.35 2.07 -0.77 0.53 116.25 117.26 3fki h VAL 1374Ca -0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3fki h VAL 1374Cb 1.06 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3fki h VAL 1374CO 0.06 0.05 0.00 0.24 0.02 0.00 0.00 177.57 177.95 3fki h MET 1375N 0.30 0.00 0.00 1.57 2.86 -1.44 -3.38 114.93 114.84 3fki h MET 1375Ca 0.16 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3fki h MET 1375Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3fki h MET 1375CO -0.03 0.00 -1.00 -2.37 1.06 0.00 0.00 176.91 174.56 3fki n THR 1376N -2.85 0.00 -0.10 2.22 5.66 0.01 -0.12 114.28 119.12 3fki n THR 1376Ca 0.03 -0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.21 3fki n THR 1376Cb 0.40 -0.20 0.59 0.00 -1.55 0.00 0.00 70.33 69.57 3fki n THR 1376CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 3fki h THR 1377N 0.00 0.76 -0.01 1.09 1.35 -0.22 -2.62 112.91 113.26 3fki h THR 1377Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3fki h THR 1377Cb 0.47 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3fki h THR 1377CO 0.00 0.04 0.00 1.67 -0.25 0.00 0.00 175.52 176.98 3fki n GLN 1378N -4.43 1.02 0.00 4.72 7.27 -1.26 -4.90 117.38 119.80 3fki n GLN 1378Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.17 3fki n GLN 1378Cb 0.59 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 32.09 3fki n GLN 1378CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fki n GLY 1379N 0.66 3.13 0.00 1.69 0.00 -0.99 -4.99 105.19 104.69 3fki n GLY 1379Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3fki n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fki n GLY 1380N 0.00 1.69 2.99 -0.02 0.00 -1.26 -4.99 105.19 103.61 3fki n GLY 1380Ca 0.00 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3fki n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fki s LEU 1381N 0.00 4.59 -0.53 0.99 1.43 -1.26 -4.51 118.68 119.40 3fki s LEU 1381Ca 0.00 -2.96 -0.27 0.00 -1.03 0.00 0.00 54.13 49.87 3fki s LEU 1381Cb 0.00 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3fki s LEU 1381CO 0.00 -0.27 1.84 -0.89 0.23 0.00 0.00 176.35 177.25 3fki s THR 1382N -0.21 3.40 0.68 5.49 2.01 0.83 -4.96 115.64 122.89 3fki s THR 1382Ca 0.17 0.31 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 3fki s THR 1382Cb -0.24 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.43 3fki s THR 1382CO -0.01 -0.75 1.13 -0.44 -0.69 0.00 0.00 174.62 173.85 3fki s SER 1383N 7.50 4.87 -1.36 3.53 0.01 -1.26 -4.36 113.70 122.62 3fki s SER 1383Ca 0.71 2.05 -0.07 0.00 1.31 0.00 0.00 55.95 59.95 3fki s SER 1383Cb -0.15 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.62 3fki s SER 1383CO 0.25 -1.79 2.37 0.52 0.41 0.00 0.00 173.24 174.99 3fki n VAL 1384N -2.57 4.90 -4.00 3.43 0.31 -0.96 -0.40 118.33 119.04 3fki n VAL 1384Ca 0.11 -4.06 -0.10 0.00 -0.01 0.00 0.00 64.34 60.29 3fki n VAL 1384Cb 0.52 -2.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.15 3fki n VAL 1384CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fki s THR 1385N -0.28 0.07 0.34 2.52 2.01 -1.26 -4.77 115.64 114.28 3fki s THR 1385Ca 0.53 -1.49 0.09 0.00 0.31 0.00 0.00 61.69 61.13 3fki s THR 1385Cb 0.17 -1.87 0.32 0.00 0.01 0.00 0.00 72.50 71.12 3fki s THR 1385CO -0.07 -0.34 1.82 -0.09 -0.69 0.00 0.00 174.62 175.25 3fki h ARG 1386N 2.61 0.68 0.00 4.92 2.43 -1.97 -0.40 114.38 122.64 3fki h ARG 1386Ca -0.32 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.72 3fki h ARG 1386Cb 1.22 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3fki h ARG 1386CO 0.51 0.45 -0.40 0.45 -1.51 0.00 0.00 179.97 179.46 3fki h HIS 1387N 0.70 0.00 0.00 2.20 3.86 -1.95 -3.39 115.15 116.57 3fki h HIS 1387Ca 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 3fki h HIS 1387Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 3fki h HIS 1387CO -0.00 0.40 0.00 0.41 0.86 0.00 0.00 177.93 179.60 3fki n GLY 1388N 1.15 1.70 0.25 2.45 0.00 -0.17 -4.57 105.19 106.00 3fki n GLY 1388Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3fki n GLY 1388CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3fki h PHE 1389N 0.00 0.00 0.00 1.61 -5.15 -0.66 -2.79 116.94 109.95 3fki h PHE 1389Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3fki h PHE 1389Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3fki h PHE 1389CO 0.00 0.13 0.00 -1.71 -2.00 0.00 0.00 178.31 174.73 3fki n ASN 1390N -3.97 0.00 -0.00 -0.68 5.15 -1.24 -1.96 115.26 112.55 3fki n ASN 1390Ca -0.02 -1.26 0.09 0.00 -0.60 0.00 0.00 54.58 52.79 3fki n ASN 1390Cb 0.22 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.34 3fki n ASN 1390CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3fki n ARG 1391N -0.70 0.63 -0.77 1.20 0.63 -1.05 -5.01 116.66 111.59 3fki n ARG 1391Ca 0.08 -0.09 -0.29 0.00 -0.92 0.00 0.00 57.85 56.62 3fki n ARG 1391Cb 0.03 -1.44 0.24 0.00 0.45 0.00 0.00 32.46 31.75 3fki n ARG 1391CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3fki s SER 1392N -3.55 0.76 0.00 6.15 1.04 -0.83 -4.88 113.70 112.39 3fki s SER 1392Ca -0.00 1.05 0.11 0.00 0.48 0.00 0.00 55.95 57.59 3fki s SER 1392Cb 0.14 -1.59 0.65 0.00 0.10 0.00 0.00 66.02 65.31 3fki s SER 1392CO 0.80 -4.27 1.11 0.59 0.98 0.00 0.00 173.24 172.45 3fki n ASN 1393N -4.92 0.00 -4.68 7.02 3.02 -1.26 -4.88 115.26 109.56 3fki n ASN 1393Ca 0.08 -0.77 -0.33 0.00 -0.03 0.00 0.00 54.58 53.53 3fki n ASN 1393Cb 0.58 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.88 3fki n ASN 1393CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3fki n THR 1394N -0.80 1.59 -1.48 3.41 -1.04 -1.26 -4.87 114.28 109.82 3fki n THR 1394Ca 0.08 -0.16 -0.49 0.00 -2.04 0.00 0.00 64.05 61.44 3fki n THR 1394Cb 0.04 -1.15 -0.04 0.00 -1.82 0.00 0.00 70.33 67.36 3fki n THR 1394CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fki n GLY 1395N 0.50 -0.93 0.22 3.41 0.00 -1.26 -4.78 105.19 102.34 3fki n GLY 1395Ca 0.13 0.43 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 3fki n GLY 1395CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fki h ALA 1396N 1.88 0.63 0.00 4.61 0.00 -1.90 -1.39 119.26 123.09 3fki h ALA 1396Ca -0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3fki h ALA 1396Cb 1.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fki h ALA 1396CO 0.61 0.18 -0.15 -0.07 0.00 0.00 0.00 179.25 179.82 3fki h LEU 1397N 0.65 0.00 0.07 0.00 3.38 -1.97 -2.99 115.31 114.44 3fki h LEU 1397Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3fki h LEU 1397Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fki h LEU 1397CO -0.02 0.15 -0.71 -0.03 0.09 0.00 0.00 178.44 177.92 3fki h MET 1398N 0.00 0.37 -0.28 1.13 4.05 -1.83 -3.33 114.93 115.05 3fki h MET 1398Ca -0.00 -0.48 -0.02 0.00 -0.28 0.00 0.00 59.70 58.92 3fki h MET 1398Cb 0.75 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 3fki h MET 1398CO 0.02 1.17 0.09 0.00 0.23 0.00 0.00 176.91 178.43 3fki h ARG 1399N -0.21 0.39 0.00 0.39 3.08 -1.24 -2.81 114.38 113.98 3fki h ARG 1399Ca -0.11 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3fki h ARG 1399Cb 1.47 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 3fki h ARG 1399CO 0.14 0.34 -0.15 0.00 -1.07 0.00 0.00 179.97 179.23 3fki n SER 1401N -3.56 2.20 -3.27 0.00 3.41 -1.06 -3.17 113.62 108.18 3fki n SER 1401Ca -0.01 -1.43 -0.06 0.00 -0.26 0.00 0.00 58.87 57.11 3fki n SER 1401Cb 0.29 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3fki n SER 1401CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3fki s PHE 1402N 0.34 -1.20 0.00 7.33 2.19 -1.15 -5.00 117.98 120.48 3fki s PHE 1402Ca 0.00 0.46 0.00 0.00 0.33 0.00 0.00 56.93 57.72 3fki s PHE 1402Cb 0.00 -0.05 0.00 0.00 -1.31 0.00 0.00 43.02 41.66 3fki s PHE 1402CO 0.00 -1.01 0.00 0.39 1.83 0.00 0.00 175.22 176.43 3fki n GLU 1403N 5.32 0.00 -0.26 10.12 1.02 -1.26 -3.97 120.64 131.61 3fki n GLU 1403Ca 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.14 3fki n GLU 1403Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.10 3fki n GLU 1403CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3fki h GLU 1404N 0.00 1.10 0.00 3.49 4.39 -1.88 -3.42 114.58 118.26 3fki h GLU 1404Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3fki h GLU 1404Cb 0.00 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3fki h GLU 1404CO 0.00 0.78 0.00 0.25 -1.16 0.00 0.00 179.01 178.88 3fki n THR 1405N -4.37 0.00 -0.15 1.13 -2.24 -1.19 -1.39 114.28 106.07 3fki n THR 1405Ca 0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.79 3fki n THR 1405Cb 0.08 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.31 3fki n THR 1405CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3fki h VAL 1406N 0.00 1.15 -0.69 2.28 -1.51 -1.86 -2.35 116.25 113.27 3fki h VAL 1406Ca 0.00 -0.35 0.13 0.00 -1.23 0.00 0.00 66.70 65.25 3fki h VAL 1406Cb 0.00 0.56 -0.04 0.00 -2.13 0.00 0.00 31.29 29.67 3fki h VAL 1406CO 0.00 0.15 0.46 -0.33 -1.23 0.00 0.00 177.57 176.62 3fki h GLU 1407N 0.61 0.38 0.00 5.19 5.08 -1.61 0.37 114.58 124.59 3fki h GLU 1407Ca 0.16 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3fki h GLU 1407Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3fki h GLU 1407CO -0.03 0.25 -0.18 0.82 -1.00 0.00 0.00 179.01 178.87 3fki h ILE 1408N 0.39 1.58 -0.02 3.13 2.04 -1.69 -3.08 117.51 119.86 3fki h ILE 1408Ca 0.33 -1.94 0.01 0.00 1.00 0.00 0.00 64.86 64.26 3fki h ILE 1408Cb 0.75 2.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.65 3fki h ILE 1408CO -0.10 0.52 0.01 -0.07 0.00 0.00 0.00 178.15 178.52 3fki h LEU 1409N -0.59 0.00 0.05 1.44 3.38 -0.62 0.30 115.31 119.26 3fki h LEU 1409Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3fki h LEU 1409Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3fki h LEU 1409CO 0.04 0.00 -0.02 -0.26 0.09 0.00 0.00 178.44 178.28 3fki h PHE 1410N 0.00 -0.06 -0.06 1.13 0.04 -0.43 -3.19 116.94 114.36 3fki h PHE 1410Ca 0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3fki h PHE 1410Cb 0.04 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3fki h PHE 1410CO 0.00 0.46 0.00 0.39 -0.60 0.00 0.00 178.31 178.56 3fki n GLU 1411N -4.86 1.27 -0.00 1.51 1.02 -0.83 -2.65 120.64 116.09 3fki n GLU 1411Ca -0.09 -0.40 -0.19 0.00 -0.02 0.00 0.00 57.16 56.46 3fki n GLU 1411Cb 0.28 -1.31 -0.14 0.00 -0.02 0.00 0.00 31.44 30.25 3fki n GLU 1411CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fki n ALA 1412N -0.37 0.99 0.12 0.62 0.00 0.98 -3.44 120.51 119.42 3fki n ALA 1412Ca 0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 3fki n ALA 1412Cb 0.16 -0.69 0.09 0.00 0.00 0.00 0.00 19.45 19.01 3fki n ALA 1412CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3fki h GLY 1413N 1.51 0.00 0.88 0.00 0.00 -1.53 0.10 103.07 104.04 3fki h GLY 1413Ca -0.41 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3fki h GLY 1413CO 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.32 3fki h ALA 1414N 1.34 0.31 -0.12 3.60 0.00 -1.67 -3.04 119.26 119.67 3fki h ALA 1414Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3fki h ALA 1414Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fki h ALA 1414CO 0.09 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.54 3fki n SER 1415N -4.34 1.33 -3.86 0.00 3.41 -1.22 -4.39 113.62 104.56 3fki n SER 1415Ca -0.05 -1.63 -0.24 0.00 -0.26 0.00 0.00 58.87 56.68 3fki n SER 1415Cb 0.47 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3fki n SER 1415CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fki n ALA 1416N 0.09 -2.05 -2.63 7.33 0.00 -0.72 -4.77 120.51 117.76 3fki n ALA 1416Ca 0.16 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3fki n ALA 1416Cb 0.28 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 3fki n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3fki s GLU 1417N -6.34 4.51 -0.23 0.00 2.02 0.28 -4.79 118.70 114.16 3fki s GLU 1417Ca 0.03 1.51 -0.15 0.00 0.02 0.00 0.00 54.97 56.38 3fki s GLU 1417Cb -0.01 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 3fki s GLU 1417CO 0.86 -0.14 0.36 -1.17 0.02 0.00 0.00 175.26 175.19 3fki s LEU 1418N 1.17 4.10 -0.12 1.80 2.96 -1.26 -2.85 118.68 124.48 3fki s LEU 1418Ca 0.53 0.38 -0.26 0.00 -0.22 0.00 0.00 54.13 54.57 3fki s LEU 1418Cb -0.23 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 3fki s LEU 1418CO 0.27 -0.10 0.83 -0.62 -1.32 0.00 0.00 176.35 175.41 3fki s ASP 1419N 1.28 7.04 0.41 3.68 -1.08 -0.36 -4.89 116.67 122.75 3fki s ASP 1419Ca 0.16 1.26 0.23 0.00 -0.52 0.00 0.00 52.55 53.68 3fki s ASP 1419Cb -0.15 -2.47 0.67 0.00 -1.46 0.00 0.00 42.92 39.52 3fki s ASP 1419CO 0.08 -0.31 1.72 0.44 0.52 0.00 0.00 175.17 177.62 3fki h ASP 1420N 7.11 0.00 -5.78 -0.34 5.19 -1.88 -2.83 116.42 117.88 3fki h ASP 1420Ca -0.34 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 55.70 3fki h ASP 1420Cb 1.16 0.00 0.14 0.00 0.18 0.00 0.00 39.33 40.81 3fki h ASP 1420CO 0.81 0.23 -0.74 0.00 -3.12 0.00 0.00 179.24 176.42 3fki n ARG 1422N -4.50 1.77 -2.10 0.00 1.74 -1.26 -4.83 116.66 107.48 3fki n ARG 1422Ca -0.16 -0.43 -0.19 0.00 -0.77 0.00 0.00 57.85 56.30 3fki n ARG 1422Cb 0.62 -1.26 0.10 0.00 -1.02 0.00 0.00 32.46 30.90 3fki n ARG 1422CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fki n GLY 1423N 1.26 0.51 0.18 -0.13 0.00 -1.26 -4.80 105.19 100.94 3fki n GLY 1423Ca 0.05 -1.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 3fki n GLY 1423CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fki h VAL 1424N -0.64 0.07 -0.72 1.61 2.07 -1.92 -3.35 116.25 113.38 3fki h VAL 1424Ca -0.27 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 66.60 3fki h VAL 1424Cb 0.96 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3fki h VAL 1424CO 0.28 0.02 0.47 0.28 0.02 0.00 0.00 177.57 178.64 3fki h SER 1425N -1.09 0.51 0.21 0.57 0.02 -1.95 -1.93 113.55 109.89 3fki h SER 1425Ca -0.04 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3fki h SER 1425Cb 0.32 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3fki h SER 1425CO 0.06 0.30 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.48 3fki h GLU 1426N 0.57 -0.48 0.00 3.45 4.39 -1.88 -0.54 114.58 120.09 3fki h GLU 1426Ca 0.33 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.97 3fki h GLU 1426Cb 0.54 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3fki h GLU 1426CO -0.11 -0.32 -0.48 -0.91 -1.16 0.00 0.00 179.01 176.03 3fki h ASN 1427N -0.50 0.00 -0.18 1.42 2.35 -1.62 -2.45 115.58 114.60 3fki h ASN 1427Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3fki h ASN 1427Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3fki h ASN 1427CO -0.07 0.48 0.09 0.58 -1.65 0.00 0.00 177.43 176.86 3fki h VAL 1428N 0.00 1.13 -0.62 2.81 2.07 -1.00 0.32 116.25 120.95 3fki h VAL 1428Ca -0.00 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3fki h VAL 1428Cb 1.04 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3fki h VAL 1428CO 0.06 0.12 0.08 0.40 0.02 0.00 0.00 177.57 178.25 3fki h ILE 1429N 0.17 1.26 -0.00 4.57 2.04 -1.07 -2.74 117.51 121.74 3fki h ILE 1429Ca 0.06 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3fki h ILE 1429Cb 0.11 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3fki h ILE 1429CO -0.01 0.39 -0.02 0.18 0.00 0.00 0.00 178.15 178.69 3fki n LEU 1430N -4.25 0.28 -1.12 1.44 4.77 -0.93 -4.91 117.00 112.29 3fki n LEU 1430Ca 0.03 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3fki n LEU 1430Cb 0.30 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3fki n LEU 1430CO 0.43 0.05 -0.14 0.61 -1.33 0.00 0.00 177.39 177.01 3fki n GLY 1431N 1.12 1.14 3.98 -0.72 0.00 0.87 -5.00 105.19 106.57 3fki n GLY 1431Ca 0.20 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 3fki n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fki s GLN 1432N -3.40 3.03 -0.26 1.61 -0.21 0.33 -5.01 119.66 115.75 3fki s GLN 1432Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 55.36 54.01 3fki s GLN 1432Cb 0.00 -2.77 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 3fki s GLN 1432CO 0.00 0.02 1.41 1.41 -2.12 0.00 0.00 175.29 176.01 3fki s MET 1433N -4.18 3.89 0.39 2.91 -2.45 -1.26 -4.44 119.30 114.16 3fki s MET 1433Ca 0.46 1.42 -0.23 0.00 -1.25 0.00 0.00 55.69 56.08 3fki s MET 1433Cb -0.09 -3.93 -0.10 0.00 1.25 0.00 0.00 34.83 31.96 3fki s MET 1433CO 0.31 -1.16 0.96 0.00 1.05 0.00 0.00 175.02 176.18 3fki s ALA 1434N 4.61 3.10 -0.20 4.11 0.00 -1.26 -4.91 121.76 127.20 3fki s ALA 1434Ca 0.62 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 3fki s ALA 1434Cb -0.20 -3.18 -0.34 0.00 0.00 0.00 0.00 23.12 19.40 3fki s ALA 1434CO 0.25 0.08 1.68 -2.30 0.00 0.00 0.00 175.76 175.47 3fki n PRO 1435N -0.16 0.17 -3.83 0.00 -0.02 -1.26 -4.18 135.00 125.72 3fki n PRO 1435Ca 0.05 -1.17 -0.27 0.00 -2.02 0.00 0.00 63.50 60.08 3fki n PRO 1435Cb 0.52 -2.71 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 3fki n PRO 1435CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3fki s ILE 1436N 8.02 0.85 0.00 4.25 1.01 -1.26 -4.58 121.20 129.50 3fki s ILE 1436Ca 0.69 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3fki s ILE 1436Cb 0.13 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.49 3fki s ILE 1436CO 0.31 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3fki n GLY 1437N 4.96 0.10 0.18 6.18 0.00 -1.14 0.01 105.19 115.48 3fki n GLY 1437Ca -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3fki n GLY 1437CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fki h THR 1438N 0.00 1.35 -0.67 2.61 2.02 -1.91 -3.12 112.91 113.19 3fki h THR 1438Ca 0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 3fki h THR 1438Cb 0.00 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3fki h THR 1438CO 0.00 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.01 3fki n GLY 1439N 0.01 2.17 0.00 2.16 0.00 0.10 -4.40 105.19 105.22 3fki n GLY 1439Ca -0.02 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3fki n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fki n ALA 1440N 1.49 2.33 -3.43 4.61 0.00 -1.18 -3.99 120.51 120.34 3fki n ALA 1440Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 3fki n ALA 1440Cb 0.58 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 3fki n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3fki s PHE 1441N -2.00 0.32 -0.09 0.00 -0.12 -1.26 -4.98 117.98 109.85 3fki s PHE 1441Ca 0.20 -0.76 0.02 0.00 -0.05 0.00 0.00 56.93 56.34 3fki s PHE 1441Cb 0.09 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 3fki s PHE 1441CO 0.15 -1.22 -0.13 -0.51 -0.05 0.00 0.00 175.22 173.45 3fki s ASP 1442N -3.05 4.05 -0.22 1.98 1.01 -1.26 -5.09 116.67 114.08 3fki s ASP 1442Ca 0.20 -0.25 -0.10 0.00 0.71 0.00 0.00 52.55 53.11 3fki s ASP 1442Cb -0.03 -1.20 -0.05 0.00 1.01 0.00 0.00 42.92 42.65 3fki s ASP 1442CO 0.11 0.26 0.13 -0.69 0.21 0.00 0.00 175.17 175.19 3fki s VAL 1443N -0.24 5.19 0.25 -1.27 1.01 -1.26 -5.09 120.40 118.98 3fki s VAL 1443Ca 0.01 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.18 3fki s VAL 1443Cb -0.13 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3fki s VAL 1443CO 0.03 0.39 -0.10 -0.04 0.00 0.00 0.00 175.10 175.38 3fki s MET 1444N 0.77 1.49 -0.12 2.72 -1.94 -1.26 -5.15 119.30 115.81 3fki s MET 1444Ca 0.07 -1.72 -0.01 0.00 -1.71 0.00 0.00 55.69 52.32 3fki s MET 1444Cb -0.13 -1.19 -0.02 0.00 2.01 0.00 0.00 34.83 35.49 3fki s MET 1444CO 0.02 0.11 -0.09 0.42 -0.01 0.00 0.00 175.02 175.47 3fki s ILE 1445N -2.96 3.49 -0.31 2.53 1.09 -1.26 -5.10 121.20 118.68 3fki s ILE 1445Ca 0.27 -0.52 -0.11 0.00 -1.10 0.00 0.00 60.65 59.18 3fki s ILE 1445Cb 0.02 -2.47 -0.03 0.00 -1.06 0.00 0.00 42.46 38.92 3fki s ILE 1445CO 0.10 0.54 0.20 -0.62 -0.10 0.00 0.00 174.94 175.06 3fki s ASP 1446N -0.01 5.92 0.23 3.58 2.15 -1.26 -4.97 116.67 122.31 3fki s ASP 1446Ca -0.01 -0.28 -0.05 0.00 0.43 0.00 0.00 52.55 52.63 3fki s ASP 1446Cb -0.14 -2.10 0.22 0.00 -0.30 0.00 0.00 42.92 40.60 3fki s ASP 1446CO 0.03 -0.16 1.74 -0.08 -0.17 0.00 0.00 175.17 176.54 3fki h GLU 1447N 8.42 0.99 -0.42 4.34 4.22 -1.99 -2.20 114.58 127.94 3fki h GLU 1447Ca -0.33 -0.25 -0.05 0.00 0.08 0.00 0.00 59.36 58.81 3fki h GLU 1447Cb 1.17 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3fki h GLU 1447CO 0.60 0.91 0.07 1.49 -2.18 0.00 0.00 179.01 179.90 3fki h GLU 1448N 0.94 0.70 -0.20 1.92 4.81 -2.01 -2.74 114.58 118.00 3fki h GLU 1448Ca 0.19 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3fki h GLU 1448Cb 0.40 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3fki h GLU 1448CO 0.01 0.74 -0.35 0.66 -0.73 0.00 0.00 179.01 179.33 3fki h SER 1449N 0.55 0.44 -0.45 1.04 4.64 -1.97 -3.06 113.55 114.75 3fki h SER 1449Ca 0.13 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3fki h SER 1449Cb 0.38 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3fki h SER 1449CO 0.01 0.76 0.08 0.25 -0.87 0.00 0.00 176.83 177.06 3fki h LEU 1450N 0.36 0.75 -0.92 5.97 6.46 -1.26 -2.54 115.31 124.14 3fki h LEU 1450Ca 0.04 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 3fki h LEU 1450Cb 0.79 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 3fki h LEU 1450CO 0.06 0.77 0.28 0.58 -0.62 0.00 0.00 178.44 179.51 3fki h VAL 1451N 0.77 1.25 -0.81 1.05 2.07 -1.38 -1.99 116.25 117.20 3fki h VAL 1451Ca 0.16 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3fki h VAL 1451Cb 0.34 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3fki h VAL 1451CO 0.01 0.31 0.38 0.50 0.02 0.00 0.00 177.57 178.79 3fki h LYS 1452N 1.04 1.16 0.00 1.57 3.64 -1.43 -2.64 116.57 119.91 3fki h LYS 1452Ca 0.24 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3fki h LYS 1452Cb 0.21 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3fki h LYS 1452CO -0.02 0.89 -0.41 1.88 -2.27 0.00 0.00 179.45 179.52 3fki h TYR 1453N 1.15 0.00 0.00 1.91 0.99 -1.26 -3.52 116.97 116.24 3fki h TYR 1453Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3fki h TYR 1453Cb 0.12 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.85 3fki h TYR 1453CO 0.01 0.41 0.00 -0.12 -0.00 0.00 0.00 178.16 178.47