#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hoy n GLY 3 N 0.00 0.54 1.26 7.55 0.00 -1.26 -4.83 105.19 108.44 3hoy n GLY 3 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3hoy n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hoy n GLN 4 N 0.00 -2.62 -1.27 1.61 6.02 -1.26 -4.66 117.38 115.20 3hoy n GLN 4 Ca 0.00 2.12 0.00 0.00 -0.01 0.00 0.00 57.00 59.11 3hoy n GLN 4 Cb 0.00 -3.18 0.00 0.00 1.02 0.00 0.00 30.24 28.08 3hoy n GLN 4 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3hoy n GLN 5 N -4.05 -3.14 -1.73 -1.09 7.27 -1.26 -4.93 117.38 108.45 3hoy n GLN 5 Ca -0.07 2.37 -0.39 0.00 0.07 0.00 0.00 57.00 58.98 3hoy n GLN 5 Cb 0.56 -2.43 0.04 0.00 2.41 0.00 0.00 30.24 30.82 3hoy n GLN 5 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3hoy n TYR 6 N 0.71 2.20 -3.82 3.69 9.36 -1.26 -5.04 117.16 123.01 3hoy n TYR 6 Ca 0.00 0.44 -0.24 0.00 3.32 0.00 0.00 57.90 61.42 3hoy n TYR 6 Cb 0.00 -2.36 -0.17 0.00 -0.63 0.00 0.00 39.34 36.18 3hoy n TYR 6 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3hoy s SER 7 N -0.85 1.69 0.66 2.98 0.15 -1.26 -5.01 113.70 112.07 3hoy s SER 7 Ca 0.70 -0.13 0.37 0.00 0.70 0.00 0.00 55.95 57.58 3hoy s SER 7 Cb -0.43 -0.53 2.00 0.00 -1.71 0.00 0.00 66.02 65.36 3hoy s SER 7 CO 0.51 -0.17 2.14 0.77 1.20 0.00 0.00 173.24 177.69 3hoy h SER 8 N 8.25 0.00 -2.99 5.45 4.64 -2.05 -3.44 113.55 123.42 3hoy h SER 8 Ca -0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.52 3hoy h SER 8 Cb 1.13 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.31 3hoy h SER 8 CO 0.30 0.00 0.60 0.00 -0.87 0.00 0.00 176.83 176.86 3hoy n ALA 9 N -2.01 1.35 -1.77 5.18 0.00 -1.26 -4.94 120.51 117.06 3hoy n ALA 9 Ca -0.02 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 3hoy n ALA 9 Cb 0.24 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.39 3hoy n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hoy s PRO 10 N -0.99 3.89 -0.26 0.00 0.04 -1.26 -4.99 135.00 131.43 3hoy s PRO 10 Ca 0.63 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.64 3hoy s PRO 10 Cb -0.60 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 3hoy s PRO 10 CO 0.54 -0.51 0.04 -1.17 0.04 0.00 0.00 177.00 175.94 3hoy s LEU 11 N -2.61 3.44 0.42 -3.56 2.96 -1.26 -5.09 118.68 112.99 3hoy s LEU 11 Ca 0.59 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3hoy s LEU 11 Cb -0.35 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 3hoy s LEU 11 CO 0.44 -0.10 0.07 -0.13 -1.32 0.00 0.00 176.35 175.31 3hoy s ARG 12 N 1.52 1.96 0.31 1.98 0.52 -1.26 -5.15 118.95 118.83 3hoy s ARG 12 Ca 0.04 -2.19 0.07 0.00 -0.52 0.00 0.00 55.73 53.13 3hoy s ARG 12 Cb -0.16 -1.04 -0.02 0.00 0.52 0.00 0.00 34.95 34.25 3hoy s ARG 12 CO 0.01 -0.35 0.39 0.95 0.02 0.00 0.00 175.30 176.32 3hoy s THR 13 N -3.08 4.17 -0.01 0.02 -4.23 -1.26 -5.08 115.64 106.18 3hoy s THR 13 Ca 0.22 -1.12 -0.23 0.00 -1.18 0.00 0.00 61.69 59.38 3hoy s THR 13 Cb 0.04 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 3hoy s THR 13 CO 0.12 -0.21 0.70 -0.69 -0.54 0.00 0.00 174.62 174.00 3hoy s VAL 14 N -2.17 4.88 -0.04 2.29 1.01 -1.26 -4.92 120.40 120.19 3hoy s VAL 14 Ca 0.41 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.92 3hoy s VAL 14 Cb -0.08 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3hoy s VAL 14 CO 0.29 0.34 0.07 0.29 0.00 0.00 0.00 175.10 176.09 3hoy n LYS 15 N 3.11 1.96 -3.79 2.72 4.76 -1.26 -5.03 118.16 120.62 3hoy n LYS 15 Ca -0.03 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 3hoy n LYS 15 Cb 0.51 -1.16 -0.12 0.00 -1.84 0.00 0.00 35.03 32.42 3hoy n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hoy s GLU 16 N -2.27 0.24 -0.31 1.97 2.02 -1.26 -4.16 118.70 114.93 3hoy s GLU 16 Ca -0.03 0.31 -0.06 0.00 0.02 0.00 0.00 54.97 55.21 3hoy s GLU 16 Cb 0.03 0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.38 3hoy s GLU 16 CO 0.27 -0.04 0.08 0.08 0.02 0.00 0.00 175.26 175.66 3hoy s VAL 17 N 0.21 3.82 -0.57 2.63 1.01 0.33 -4.96 120.40 122.87 3hoy s VAL 17 Ca -0.01 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 3hoy s VAL 17 Cb -0.02 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.45 3hoy s VAL 17 CO -0.00 -0.01 0.58 -1.58 0.00 0.00 0.00 175.10 174.09 3hoy s GLN 18 N 1.45 3.04 0.49 2.72 2.00 -1.26 -1.03 119.66 127.08 3hoy s GLN 18 Ca 0.01 -1.64 -0.21 0.00 -2.00 0.00 0.00 55.36 51.52 3hoy s GLN 18 Cb -0.18 -4.30 -0.08 0.00 0.80 0.00 0.00 33.01 29.25 3hoy s GLN 18 CO 0.02 -1.39 1.08 -0.06 -0.50 0.00 0.00 175.29 174.44 3hoy s PHE 19 N 1.84 2.92 0.08 1.67 0.40 -0.64 -5.02 117.98 119.22 3hoy s PHE 19 Ca 0.06 1.57 -0.25 0.00 -0.60 0.00 0.00 56.93 57.71 3hoy s PHE 19 Cb -0.27 -3.17 0.09 0.00 0.51 0.00 0.00 43.02 40.18 3hoy s PHE 19 CO 0.03 -1.10 1.17 0.20 0.70 0.00 0.00 175.22 176.23 3hoy s GLY 20 N -1.81 -0.01 0.09 4.36 0.00 -1.23 -4.13 107.32 104.59 3hoy s GLY 20 Ca 0.68 -0.15 0.06 0.00 0.00 0.00 0.00 44.72 45.30 3hoy s GLY 20 CO 0.24 4.23 -0.07 1.08 0.00 0.00 0.00 173.10 178.58 3hoy s LEU 21 N -3.64 3.16 -0.09 0.66 1.43 -0.34 -4.67 118.68 115.20 3hoy s LEU 21 Ca 0.26 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 3hoy s LEU 21 Cb -0.02 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 3hoy s LEU 21 CO 0.02 0.19 1.14 -0.36 0.23 0.00 0.00 176.35 177.57 3hoy s PHE 22 N -1.21 3.27 0.19 0.29 2.99 -1.26 -4.74 117.98 117.51 3hoy s PHE 22 Ca 0.22 1.33 -0.24 0.00 0.00 0.00 0.00 56.93 58.24 3hoy s PHE 22 Cb -0.11 -3.35 -0.08 0.00 0.00 0.00 0.00 43.02 39.48 3hoy s PHE 22 CO 0.14 -0.97 0.78 -1.54 -0.00 0.00 0.00 175.22 173.63 3hoy s SER 23 N 1.39 7.31 0.48 1.36 1.04 -1.26 -4.95 113.70 119.07 3hoy s SER 23 Ca 0.53 1.61 0.20 0.00 0.48 0.00 0.00 55.95 58.77 3hoy s SER 23 Cb -0.22 -2.49 1.21 0.00 0.10 0.00 0.00 66.02 64.63 3hoy s SER 23 CO 0.19 0.14 1.98 1.55 0.98 0.00 0.00 173.24 178.09 3hoy h PRO 24 N 4.00 0.20 0.00 4.02 0.13 -1.95 -0.34 132.00 138.06 3hoy h PRO 24 Ca -0.47 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 3hoy h PRO 24 Cb 1.20 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3hoy h PRO 24 CO 0.66 0.13 -0.33 0.93 -0.23 0.00 0.00 178.00 179.16 3hoy h GLU 25 N 0.20 0.00 0.00 0.86 3.07 -1.96 -2.95 114.58 113.81 3hoy h GLU 25 Ca 0.28 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3hoy h GLU 25 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3hoy h GLU 25 CO -0.05 0.33 -0.00 1.49 -1.40 0.00 0.00 179.01 179.38 3hoy h GLU 26 N 0.00 -0.01 -0.54 2.33 4.81 -1.45 -2.89 114.58 116.84 3hoy h GLU 26 Ca -0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3hoy h GLU 26 Cb 0.77 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.04 3hoy h GLU 26 CO 0.04 0.67 -0.27 0.28 -0.73 0.00 0.00 179.01 179.00 3hoy h VAL 27 N -0.69 0.26 -0.57 0.32 2.07 -1.41 0.32 116.25 116.54 3hoy h VAL 27 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3hoy h VAL 27 Cb 0.68 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3hoy h VAL 27 CO 0.00 0.00 0.14 0.03 0.02 0.00 0.00 177.57 177.76 3hoy h ARG 28 N -0.14 0.28 0.39 1.57 3.08 -1.56 -0.47 114.38 117.52 3hoy h ARG 28 Ca 0.24 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3hoy h ARG 28 Cb 0.52 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3hoy h ARG 28 CO -0.62 0.18 -0.42 0.00 -1.07 0.00 0.00 179.97 178.04 3hoy h ALA 29 N 1.44 -1.07 -0.86 0.04 0.00 -0.23 -3.06 119.26 115.52 3hoy h ALA 29 Ca 0.29 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3hoy h ALA 29 Cb 0.41 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3hoy h ALA 29 CO -0.36 -1.10 0.56 0.97 0.00 0.00 0.00 179.25 179.32 3hoy h ILE 30 N -0.82 0.98 -3.33 0.00 2.10 -0.89 -3.45 117.51 112.10 3hoy h ILE 30 Ca -0.05 -0.30 -0.57 0.00 1.08 0.00 0.00 64.86 65.02 3hoy h ILE 30 Cb 0.71 0.04 0.16 0.00 -1.09 0.00 0.00 36.82 36.65 3hoy h ILE 30 CO -0.07 0.16 -0.03 -0.24 -1.08 0.00 0.00 178.15 176.89 3hoy n SER 31 N -4.51 0.26 0.00 2.19 2.88 -0.20 -4.79 113.62 109.45 3hoy n SER 31 Ca 0.14 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 3hoy n SER 31 Cb 0.29 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3hoy n SER 31 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3hoy n VAL 32 N -1.60 0.39 -3.66 2.46 0.24 0.10 -4.95 118.33 111.32 3hoy n VAL 32 Ca 0.13 -0.63 -0.15 0.00 -2.04 0.00 0.00 64.34 61.65 3hoy n VAL 32 Cb 0.46 0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 33.63 3hoy n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hoy s ALA 33 N -0.39 -1.34 -0.03 2.33 0.00 -1.26 -4.67 121.76 116.40 3hoy s ALA 33 Ca 0.00 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 3hoy s ALA 33 Cb 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 3hoy s ALA 33 CO 0.00 -0.29 0.52 0.87 0.00 0.00 0.00 175.76 176.86 3hoy h LYS 34 N 4.38 -0.38 -3.36 0.00 6.56 -1.84 -2.51 116.57 119.41 3hoy h LYS 34 Ca -0.28 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 3hoy h LYS 34 Cb 1.16 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 3hoy h LYS 34 CO 0.27 -0.25 -0.13 -0.89 -2.06 0.00 0.00 179.45 176.39 3hoy n ILE 35 N -4.49 -3.60 -0.05 1.86 5.41 -1.25 -3.96 119.36 113.29 3hoy n ILE 35 Ca -0.05 0.24 -0.07 0.00 1.00 0.00 0.00 62.75 63.87 3hoy n ILE 35 Cb 0.15 -4.51 -0.04 0.00 -0.71 0.00 0.00 39.64 34.53 3hoy n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hoy n ARG 36 N -0.14 0.23 -2.84 0.38 1.74 -1.23 -4.72 116.66 110.08 3hoy n ARG 36 Ca 0.01 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 3hoy n ARG 36 Cb 0.03 -1.16 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 3hoy n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hoy s PHE 37 N -2.19 3.78 -0.83 -1.55 0.40 -1.26 -4.98 117.98 111.36 3hoy s PHE 37 Ca -0.13 1.66 0.27 0.00 -0.60 0.00 0.00 56.93 58.13 3hoy s PHE 37 Cb 0.03 -2.95 0.89 0.00 0.51 0.00 0.00 43.02 41.50 3hoy s PHE 37 CO 0.21 0.24 1.76 -0.35 0.70 0.00 0.00 175.22 177.78 3hoy n PRO 38 N 2.79 0.17 -0.66 0.24 -0.04 -1.26 -3.01 135.00 133.22 3hoy n PRO 38 Ca 0.00 0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 3hoy n PRO 38 Cb 0.50 -1.68 0.26 0.00 -0.04 0.00 0.00 33.50 32.54 3hoy n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hoy s GLU 39 N -3.07 -2.02 -0.12 0.54 2.02 -1.26 -4.73 118.70 110.06 3hoy s GLU 39 Ca 0.11 0.16 -0.07 0.00 0.02 0.00 0.00 54.97 55.19 3hoy s GLU 39 Cb 0.15 -1.48 -0.05 0.00 0.10 0.00 0.00 34.13 32.84 3hoy s GLU 39 CO 0.59 -4.29 -0.16 -2.37 0.02 0.00 0.00 175.26 169.05 3hoy n THR 40 N -5.21 0.76 0.00 3.63 5.66 -1.26 -3.66 114.28 114.20 3hoy n THR 40 Ca 0.11 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3hoy n THR 40 Cb 0.59 -1.70 0.00 0.00 -1.55 0.00 0.00 70.33 67.67 3hoy n THR 40 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 3hoy n MET 41 N -3.60 0.00 -1.96 1.09 2.81 -1.26 -3.14 117.12 111.05 3hoy n MET 41 Ca -0.24 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 3hoy n MET 41 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.15 3hoy n MET 41 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3hoy n ASP 42 N 0.00 -4.04 -3.43 7.83 8.00 -1.19 -4.06 116.55 119.65 3hoy n ASP 42 Ca 0.00 0.35 -0.34 0.00 0.71 0.00 0.00 54.79 55.51 3hoy n ASP 42 Cb 0.00 -0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 40.15 3hoy n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hoy n GLU 43 N 1.30 1.49 -1.57 -1.24 1.02 0.18 -2.87 120.64 118.96 3hoy n GLU 43 Ca 0.00 -1.58 -0.00 0.00 -0.02 0.00 0.00 57.16 55.56 3hoy n GLU 43 Cb 0.19 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 28.93 3hoy n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hoy n THR 44 N 5.43 -1.34 0.00 2.62 -1.04 -1.26 -3.83 114.28 114.85 3hoy n THR 44 Ca 0.45 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 3hoy n THR 44 Cb 0.29 -3.31 0.00 0.00 -1.82 0.00 0.00 70.33 65.49 3hoy n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoy n GLN 45 N -1.39 0.00 -2.09 -2.82 6.02 -1.14 -4.94 117.38 111.02 3hoy n GLN 45 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3hoy n GLN 45 Cb 0.50 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 3hoy n GLN 45 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hoy s THR 46 N -0.50 3.57 -0.16 5.09 2.01 -1.25 -4.73 115.64 119.67 3hoy s THR 46 Ca 0.00 0.85 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 3hoy s THR 46 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3hoy s THR 46 CO 0.00 -0.04 1.64 -0.13 -0.69 0.00 0.00 174.62 175.41 3hoy s ARG 47 N 3.19 3.91 0.00 4.92 0.52 -1.26 -0.64 118.95 129.58 3hoy s ARG 47 Ca 0.69 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 3hoy s ARG 47 Cb -0.33 -4.03 0.00 0.00 0.52 0.00 0.00 34.95 31.11 3hoy s ARG 47 CO 0.28 -1.16 0.00 0.00 0.02 0.00 0.00 175.30 174.44 3hoy n ALA 48 N 8.09 0.00 -3.67 2.13 0.00 -1.26 -4.95 120.51 120.84 3hoy n ALA 48 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 3hoy n ALA 48 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3hoy n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hoy s LYS 49 N 4.24 0.43 0.51 0.00 1.02 -1.26 -4.32 119.74 120.36 3hoy s LYS 49 Ca 0.00 0.99 -0.20 0.00 0.02 0.00 0.00 55.97 56.77 3hoy s LYS 49 Cb 0.00 0.18 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 3hoy s LYS 49 CO 0.00 -0.19 1.11 0.42 -0.92 0.00 0.00 175.35 175.77 3hoy s ILE 50 N 1.94 3.32 -1.81 2.17 1.01 -1.19 -4.81 121.20 121.83 3hoy s ILE 50 Ca -0.07 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3hoy s ILE 50 Cb -0.09 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3hoy s ILE 50 CO -0.14 -0.14 0.11 0.61 0.00 0.00 0.00 174.94 175.38 3hoy n GLY 51 N 0.13 -0.06 0.00 6.18 0.00 -1.26 -3.85 105.19 106.33 3hoy n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hoy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hoy n GLY 52 N -0.22 1.05 2.33 -0.02 0.00 -1.26 -4.45 105.19 102.62 3hoy n GLY 52 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3hoy n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hoy n LEU 53 N -0.81 0.00 0.00 0.99 0.00 -1.16 -3.53 117.00 112.49 3hoy n LEU 53 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 56.01 54.41 3hoy n LEU 53 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 43.42 43.25 3hoy n LEU 53 CO 0.00 -0.56 0.00 -0.46 0.00 0.00 0.00 177.39 176.37 3hoy n ASN 54 N -2.32 0.00 -2.21 1.96 0.23 -1.26 -4.14 115.26 107.51 3hoy n ASN 54 Ca 0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.09 3hoy n ASN 54 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 3hoy n ASN 54 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3hoy n ASP 55 N 0.02 -4.85 -1.58 0.53 2.03 -1.26 -4.71 116.55 106.73 3hoy n ASP 55 Ca 0.00 0.10 -0.01 0.00 0.52 0.00 0.00 54.79 55.40 3hoy n ASP 55 Cb 0.00 -3.11 0.29 0.00 -0.72 0.00 0.00 41.12 37.58 3hoy n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hoy n PRO 56 N -0.94 3.36 0.00 -0.67 -0.02 -1.26 -4.54 135.00 130.93 3hoy n PRO 56 Ca 0.03 -3.05 0.00 0.00 -2.02 0.00 0.00 63.50 58.46 3hoy n PRO 56 Cb 0.38 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3hoy n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hoy n ARG 57 N -0.32 0.00 0.00 -0.52 1.74 -1.26 -4.69 116.66 111.61 3hoy n ARG 57 Ca 0.34 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3hoy n ARG 57 Cb 1.20 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.64 3hoy n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hoy n LEU 58 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.47 117.00 116.59 3hoy n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hoy n LEU 58 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hoy n LEU 58 CO 0.00 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 3hoy n GLY 59 N 2.32 -1.80 1.14 -0.72 0.00 -1.26 -4.75 105.19 100.12 3hoy n GLY 59 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 3hoy n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hoy n SER 60 N 0.00 -0.45 -3.51 1.61 2.88 -1.26 -4.74 113.62 108.15 3hoy n SER 60 Ca 0.00 -1.65 -0.10 0.00 -1.33 0.00 0.00 58.87 55.79 3hoy n SER 60 Cb 0.00 0.84 -0.02 0.00 -0.75 0.00 0.00 64.21 64.28 3hoy n SER 60 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3hoy s ILE 61 N -2.55 0.00 0.00 2.46 1.01 -1.26 -4.86 121.20 115.99 3hoy s ILE 61 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3hoy s ILE 61 Cb -0.00 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.31 3hoy s ILE 61 CO 0.07 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.34 3hoy n ASP 62 N -0.35 -0.15 -3.86 3.58 -0.08 -1.26 -3.70 116.55 110.74 3hoy n ASP 62 Ca -0.13 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.84 3hoy n ASP 62 Cb 0.63 -0.02 0.01 0.00 2.34 0.00 0.00 41.12 44.08 3hoy n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hoy n ARG 63 N -2.05 -1.89 -3.75 -0.67 1.74 -1.26 -4.89 116.66 103.89 3hoy n ARG 63 Ca 0.00 0.37 -0.30 0.00 -0.77 0.00 0.00 57.85 57.16 3hoy n ARG 63 Cb 0.00 -4.05 -0.13 0.00 -1.02 0.00 0.00 32.46 27.26 3hoy n ARG 63 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hoy s ASN 64 N -3.86 3.80 0.36 0.55 2.47 -1.24 -5.02 114.94 111.99 3hoy s ASN 64 Ca 0.28 -2.51 0.31 0.00 0.42 0.00 0.00 52.86 51.36 3hoy s ASN 64 Cb -0.11 -1.09 1.07 0.00 -1.45 0.00 0.00 41.25 39.67 3hoy s ASN 64 CO 0.89 -0.29 0.99 0.18 -3.72 0.00 0.00 177.10 175.15 3hoy n LEU 65 N 3.70 0.00 -3.74 3.21 4.77 -1.26 -4.63 117.00 119.06 3hoy n LEU 65 Ca 0.07 0.63 -0.34 0.00 -0.03 0.00 0.00 56.01 56.33 3hoy n LEU 65 Cb 0.35 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3hoy n LEU 65 CO 0.23 -0.63 -1.40 0.29 -1.33 0.00 0.00 177.39 174.56 3hoy n LYS 66 N -3.17 0.00 0.00 3.23 4.76 -1.26 -3.95 118.16 117.77 3hoy n LYS 66 Ca 0.28 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3hoy n LYS 66 Cb 1.28 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 3hoy n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hoy n GLN 68 N 0.00 -1.59 0.00 0.00 -0.00 -1.26 -2.98 117.38 111.55 3hoy n GLN 68 Ca 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 57.00 57.88 3hoy n GLN 68 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 30.24 28.15 3hoy n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3hoy n THR 69 N -1.98 0.00 0.00 -0.39 -1.04 -1.26 -4.56 114.28 105.05 3hoy n THR 69 Ca -0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3hoy n THR 69 Cb 0.68 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 3hoy n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoy n GLN 71 N -1.34 0.00 0.00 0.00 10.64 -1.24 -4.79 117.38 120.65 3hoy n GLN 71 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3hoy n GLN 71 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3hoy n GLN 71 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3hoy n GLU 72 N 11.73 0.00 0.00 2.61 -0.58 -1.26 -4.64 120.64 128.50 3hoy n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hoy n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3hoy n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hoy n GLY 73 N 0.00 -0.36 0.00 0.62 0.00 -1.26 -4.79 105.19 99.40 3hoy n GLY 73 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3hoy n GLY 73 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hoy n MET 74 N 0.30 0.00 -3.18 1.61 1.56 -1.26 -3.46 117.12 112.68 3hoy n MET 74 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 57.03 3hoy n MET 74 Cb 0.00 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.30 3hoy n MET 74 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 3hoy s ASN 75 N 0.00 6.48 0.00 6.12 3.84 -1.26 -3.87 114.94 126.25 3hoy s ASN 75 Ca 0.00 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.63 3hoy s ASN 75 Cb 0.00 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 3hoy s ASN 75 CO 0.00 -0.33 0.00 1.21 -2.79 0.00 0.00 177.10 175.19 3hoy n GLU 76 N 5.63 0.00 -2.27 0.43 4.07 -1.22 -5.01 120.64 122.26 3hoy n GLU 76 Ca -0.03 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.65 3hoy n GLU 76 Cb 0.49 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.85 3hoy n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hoy n PRO 78 N 7.32 0.52 -1.87 0.00 -0.04 -1.26 -4.88 135.00 134.79 3hoy n PRO 78 Ca 0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.32 3hoy n PRO 78 Cb 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 3hoy n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hoy s GLY 79 N -2.04 1.64 -0.21 0.55 0.00 -1.26 -4.84 107.32 101.17 3hoy s GLY 79 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3hoy s GLY 79 CO 0.00 0.11 -0.06 0.30 0.00 0.00 0.00 173.10 173.45 3hoy s HIS 80 N -3.27 2.16 0.77 1.90 3.76 -1.26 -4.95 115.29 114.41 3hoy s HIS 80 Ca 0.57 -1.50 -0.12 0.00 -0.15 0.00 0.00 55.06 53.85 3hoy s HIS 80 Cb -0.11 -1.50 0.06 0.00 1.11 0.00 0.00 32.58 32.14 3hoy s HIS 80 CO 0.53 -0.72 1.13 -0.06 -0.85 0.00 0.00 174.74 174.77 3hoy s PHE 81 N 1.48 2.26 0.27 1.40 0.40 -1.26 -4.18 117.98 118.34 3hoy s PHE 81 Ca -0.03 1.62 0.04 0.00 -0.60 0.00 0.00 56.93 57.96 3hoy s PHE 81 Cb -0.17 -3.23 -0.01 0.00 0.51 0.00 0.00 43.02 40.12 3hoy s PHE 81 CO -0.07 -2.16 0.13 0.41 0.70 0.00 0.00 175.22 174.22 3hoy n GLY 82 N -0.42 3.43 3.30 4.36 0.00 -0.92 -0.72 105.19 114.23 3hoy n GLY 82 Ca 0.11 -1.98 -0.19 0.00 0.00 0.00 0.00 46.02 43.95 3hoy n GLY 82 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hoy s HIS 83 N -2.70 1.69 -0.29 1.61 -3.43 -0.95 -0.53 115.29 110.69 3hoy s HIS 83 Ca 0.18 -1.58 -0.01 0.00 -0.80 0.00 0.00 55.06 52.86 3hoy s HIS 83 Cb 0.01 -0.76 0.18 0.00 -1.43 0.00 0.00 32.58 30.58 3hoy s HIS 83 CO 0.13 -0.76 0.57 -1.50 -2.00 0.00 0.00 174.74 171.18 3hoy s ILE 84 N -3.50 -0.95 -0.83 -5.38 2.07 -0.63 -4.20 121.20 107.78 3hoy s ILE 84 Ca 0.38 -0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.36 3hoy s ILE 84 Cb 0.03 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.64 3hoy s ILE 84 CO 0.24 -0.02 1.66 -1.81 -1.91 0.00 0.00 174.94 173.10 3hoy s ASP 85 N 2.82 5.73 0.93 4.50 1.01 -1.26 -1.08 116.67 129.31 3hoy s ASP 85 Ca 0.19 -0.58 -0.14 0.00 0.71 0.00 0.00 52.55 52.74 3hoy s ASP 85 Cb -0.15 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3hoy s ASP 85 CO -0.21 -2.15 0.26 0.18 0.21 0.00 0.00 175.17 173.46 3hoy n LEU 86 N 11.41 -0.90 0.07 1.23 4.77 -0.98 -4.89 117.00 127.71 3hoy n LEU 86 Ca 0.26 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 3hoy n LEU 86 Cb 0.50 -1.15 0.08 0.00 -2.33 0.00 0.00 43.42 40.52 3hoy n LEU 86 CO 0.66 -3.91 0.17 0.00 -1.33 0.00 0.00 177.39 172.98 3hoy h ALA 87 N -1.34 0.50 -2.40 -1.18 0.00 -1.88 -3.47 119.26 109.49 3hoy h ALA 87 Ca -0.44 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3hoy h ALA 87 Cb 1.29 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.88 3hoy h ALA 87 CO 0.34 0.00 -0.13 0.15 0.00 0.00 0.00 179.25 179.61 3hoy s LYS 88 N -3.25 0.74 0.40 0.00 -0.14 -1.26 -4.93 119.74 111.30 3hoy s LYS 88 Ca 0.03 0.12 -0.27 0.00 -1.36 0.00 0.00 55.97 54.49 3hoy s LYS 88 Cb 0.12 0.34 -0.09 0.00 -1.68 0.00 0.00 37.83 36.52 3hoy s LYS 88 CO 0.76 -0.19 1.41 -1.25 -0.76 0.00 0.00 175.35 175.31 3hoy s PRO 89 N -0.93 3.96 0.08 -1.68 0.04 -1.26 -4.91 135.00 130.30 3hoy s PRO 89 Ca -0.10 2.39 0.03 0.00 0.04 0.00 0.00 61.00 63.36 3hoy s PRO 89 Cb -0.03 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 3hoy s PRO 89 CO 0.05 -0.58 -0.09 0.08 0.04 0.00 0.00 177.00 176.50 3hoy s VAL 90 N -1.18 0.73 0.00 -0.36 1.01 -1.00 -4.69 120.40 114.91 3hoy s VAL 90 Ca 0.56 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3hoy s VAL 90 Cb -0.43 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3hoy s VAL 90 CO 0.57 -0.56 0.00 0.49 0.00 0.00 0.00 175.10 175.60 3hoy n PHE 91 N 0.77 -2.83 -3.47 5.22 3.72 -1.26 -1.79 117.46 117.82 3hoy n PHE 91 Ca -0.18 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.94 3hoy n PHE 91 Cb 0.57 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.99 3hoy n PHE 91 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3hoy s HIS 92 N -0.96 0.52 0.00 1.38 5.65 -1.25 -4.33 115.29 116.31 3hoy s HIS 92 Ca 0.00 -1.38 0.00 0.00 0.25 0.00 0.00 55.06 53.93 3hoy s HIS 92 Cb 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 32.58 30.55 3hoy s HIS 92 CO 0.00 -0.84 0.00 1.33 -0.65 0.00 0.00 174.74 174.58 3hoy n VAL 93 N 4.33 0.00 -0.32 0.89 0.24 -1.26 0.20 118.33 122.40 3hoy n VAL 93 Ca 0.08 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.40 3hoy n VAL 93 Cb 0.39 0.00 0.20 0.00 -1.47 0.00 0.00 33.84 32.96 3hoy n VAL 93 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hoy h GLY 94 N 0.00 1.35 -2.72 7.63 0.00 -1.95 -2.98 103.07 104.40 3hoy h GLY 94 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hoy h GLY 94 CO 0.00 0.36 0.00 0.69 0.00 0.00 0.00 176.54 177.59 3hoy n PHE 95 N -4.46 1.12 -0.27 5.60 0.99 0.53 -4.39 117.46 116.57 3hoy n PHE 95 Ca 0.13 -0.51 -0.02 0.00 -0.00 0.00 0.00 57.45 57.05 3hoy n PHE 95 Cb 0.14 -0.09 0.10 0.00 -1.00 0.00 0.00 39.48 38.63 3hoy n PHE 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3hoy h ILE 96 N 4.03 1.08 -0.56 4.37 2.04 -1.53 0.17 117.51 127.11 3hoy h ILE 96 Ca 0.00 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.62 3hoy h ILE 96 Cb 1.10 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3hoy h ILE 96 CO 0.08 0.16 0.23 0.00 0.00 0.00 0.00 178.15 178.63 3hoy h ALA 97 N 1.33 0.71 -0.12 1.87 0.00 -1.82 -1.05 119.26 120.18 3hoy h ALA 97 Ca 0.31 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 3hoy h ALA 97 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hoy h ALA 97 CO -0.13 -0.15 -0.34 -0.22 0.00 0.00 0.00 179.25 178.41 3hoy h LYS 98 N 0.44 0.45 -0.24 0.00 3.64 -1.62 -2.13 116.57 117.11 3hoy h LYS 98 Ca 0.27 -0.32 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3hoy h LYS 98 Cb 0.26 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3hoy h LYS 98 CO -0.24 0.94 -0.14 0.82 -2.27 0.00 0.00 179.45 178.56 3hoy h ILE 99 N 0.04 0.59 -0.02 2.00 2.04 -0.50 0.77 117.51 122.43 3hoy h ILE 99 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hoy h ILE 99 Cb 0.96 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3hoy h ILE 99 CO 0.07 0.00 -0.25 0.50 0.00 0.00 0.00 178.15 178.48 3hoy h LYS 100 N -0.12 -0.28 -0.47 2.37 3.11 -1.19 -1.02 116.57 118.97 3hoy h LYS 100 Ca 0.13 0.02 0.14 0.00 -2.81 0.00 0.00 60.65 58.13 3hoy h LYS 100 Cb 0.31 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 3hoy h LYS 100 CO -0.31 -0.19 0.34 0.87 -2.81 0.00 0.00 179.45 177.35 3hoy h LYS 101 N -0.29 0.00 -0.19 1.90 1.57 -0.80 -1.15 116.57 117.61 3hoy h LYS 101 Ca 0.01 -0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 3hoy h LYS 101 Cb 0.32 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3hoy h LYS 101 CO -0.18 0.00 -0.58 0.28 -0.57 0.00 0.00 179.45 178.40 3hoy h VAL 102 N 0.00 1.31 0.10 0.50 2.07 0.15 -2.80 116.25 117.58 3hoy h VAL 102 Ca 0.23 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 3hoy h VAL 102 Cb 0.90 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3hoy h VAL 102 CO -0.00 0.57 -0.05 0.00 0.02 0.00 0.00 177.57 178.11 3hoy h GLU 104 N -0.29 0.00 0.00 0.00 5.08 -1.28 -0.98 114.58 117.10 3hoy h GLU 104 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 3hoy h GLU 104 Cb 0.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 3hoy h GLU 104 CO 0.02 0.00 -2.04 0.00 -1.00 0.00 0.00 179.01 176.00 3hoy s VAL 106 N -2.57 3.43 0.31 0.00 1.01 -0.37 -3.08 120.40 119.13 3hoy s VAL 106 Ca -0.07 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 3hoy s VAL 106 Cb 0.07 -2.53 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 3hoy s VAL 106 CO 0.83 0.27 0.94 0.00 0.00 0.00 0.00 175.10 177.14 3hoy n MET 108 N 0.64 -1.61 0.00 0.00 0.00 -1.26 -1.61 117.12 113.28 3hoy n MET 108 Ca 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 57.70 55.87 3hoy n MET 108 Cb 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.39 3hoy n MET 108 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3hoy n HIS 109 N -3.93 0.00 -0.12 2.03 8.25 -1.26 -3.88 115.22 116.31 3hoy n HIS 109 Ca 0.15 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.46 3hoy n HIS 109 Cb 0.54 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.52 3hoy n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hoy n GLY 111 N 2.07 0.64 3.04 0.00 0.00 -0.63 -4.89 105.19 105.42 3hoy n GLY 111 Ca -0.41 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 3hoy n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hoy s LYS 112 N -3.17 0.47 1.08 1.61 2.20 -1.24 -4.07 119.74 116.62 3hoy s LYS 112 Ca 0.00 -0.93 -0.20 0.00 -0.36 0.00 0.00 55.97 54.48 3hoy s LYS 112 Cb 0.00 0.15 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 3hoy s LYS 112 CO 0.00 -0.08 -0.35 1.28 -0.36 0.00 0.00 175.35 175.84 3hoy n LEU 113 N 0.83 -2.45 -0.42 5.43 4.77 -1.26 -1.60 117.00 122.30 3hoy n LEU 113 Ca -0.19 -0.05 0.05 0.00 -0.03 0.00 0.00 56.01 55.79 3hoy n LEU 113 Cb 0.58 -0.86 0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3hoy n LEU 113 CO 0.24 -3.09 0.46 0.18 -1.33 0.00 0.00 177.39 173.85 3hoy n LEU 114 N -0.30 2.07 -3.35 2.23 4.77 -1.18 -4.58 117.00 116.65 3hoy n LEU 114 Ca 0.00 -1.29 -0.13 0.00 -0.03 0.00 0.00 56.01 54.57 3hoy n LEU 114 Cb 0.65 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3hoy n LEU 114 CO 0.50 0.45 -0.12 -0.76 -1.33 0.00 0.00 177.39 176.13 3hoy s LEU 115 N -0.84 -0.52 0.00 2.23 1.43 -1.26 -4.93 118.68 114.78 3hoy s LEU 115 Ca 0.13 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3hoy s LEU 115 Cb 0.08 0.83 0.09 0.00 0.03 0.00 0.00 46.19 47.23 3hoy s LEU 115 CO 0.12 -0.36 0.43 0.47 0.23 0.00 0.00 176.35 177.23 3hoy n ASP 116 N 5.34 -0.69 0.11 2.29 8.00 -1.26 -4.86 116.55 125.48 3hoy n ASP 116 Ca -0.01 -0.95 0.11 0.00 0.71 0.00 0.00 54.79 54.65 3hoy n ASP 116 Cb 0.48 -0.36 0.46 0.00 -0.02 0.00 0.00 41.12 41.69 3hoy n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hoy n GLU 117 N -2.34 0.16 0.11 -1.24 4.71 -1.26 -2.25 120.64 118.53 3hoy n GLU 117 Ca 0.06 0.39 -0.12 0.00 -0.01 0.00 0.00 57.16 57.48 3hoy n GLU 117 Cb 0.21 -1.81 -0.06 0.00 -1.01 0.00 0.00 31.44 28.77 3hoy n GLU 117 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hoy h HIS 118 N 0.00 -0.50 -3.89 -0.32 3.86 -2.01 -3.41 115.15 108.89 3hoy h HIS 118 Ca 0.00 0.01 -0.52 0.00 -1.16 0.00 0.00 60.37 58.70 3hoy h HIS 118 Cb 0.35 0.21 0.06 0.00 1.06 0.00 0.00 27.41 29.09 3hoy h HIS 118 CO 0.00 -0.28 0.61 1.21 0.86 0.00 0.00 177.93 180.33 3hoy s ASN 119 N -4.89 6.71 0.00 2.45 3.84 -0.96 -4.85 114.94 117.25 3hoy s ASN 119 Ca -0.15 2.62 0.00 0.00 0.21 0.00 0.00 52.86 55.54 3hoy s ASN 119 Cb 0.07 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 3hoy s ASN 119 CO 0.65 -0.57 0.37 1.21 -2.79 0.00 0.00 177.10 175.98 3hoy n GLU 120 N 0.65 0.00 -0.44 0.43 4.07 -1.26 -2.74 120.64 121.35 3hoy n GLU 120 Ca 0.01 0.21 0.38 0.00 -0.06 0.00 0.00 57.16 57.69 3hoy n GLU 120 Cb 0.43 -0.97 0.63 0.00 -0.06 0.00 0.00 31.44 31.47 3hoy n GLU 120 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3hoy n LEU 121 N -1.12 0.19 0.50 4.31 4.77 -1.26 0.14 117.00 124.54 3hoy n LEU 121 Ca 0.00 1.29 -0.20 0.00 -0.03 0.00 0.00 56.01 57.07 3hoy n LEU 121 Cb 0.00 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 3hoy n LEU 121 CO 0.00 -1.40 0.54 -0.03 -1.33 0.00 0.00 177.39 175.17 3hoy h MET 122 N 0.00 -1.23 -0.94 3.23 4.05 -1.89 -2.77 114.93 115.39 3hoy h MET 122 Ca 0.82 0.08 0.28 0.00 -0.28 0.00 0.00 59.70 60.61 3hoy h MET 122 Cb 2.65 0.28 -0.17 0.00 -0.80 0.00 0.00 31.60 33.56 3hoy h MET 122 CO -0.43 -0.82 0.11 0.54 0.23 0.00 0.00 176.91 176.54 3hoy n ARG 123 N -5.63 -0.07 -0.01 0.39 1.74 0.38 0.99 116.66 114.45 3hoy n ARG 123 Ca -0.16 1.38 -0.09 0.00 -0.77 0.00 0.00 57.85 58.21 3hoy n ARG 123 Cb 0.51 -2.24 -0.03 0.00 -1.02 0.00 0.00 32.46 29.67 3hoy n ARG 123 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hoy h GLN 124 N 0.00 -0.24 0.17 5.56 4.20 -1.20 -1.60 115.11 121.99 3hoy h GLN 124 Ca 0.61 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.33 3hoy h GLN 124 Cb 1.35 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.19 3hoy h GLN 124 CO -0.85 -0.16 -0.08 0.00 -0.67 0.00 0.00 178.83 177.07 3hoy h ALA 125 N 0.76 -0.23 0.00 3.87 0.00 0.79 -2.21 119.26 122.24 3hoy h ALA 125 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hoy h ALA 125 Cb 0.42 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hoy h ALA 125 CO -0.31 -0.60 0.18 1.28 0.00 0.00 0.00 179.25 179.80 3hoy n LEU 126 N -5.16 0.26 -0.02 0.00 4.77 0.10 -0.38 117.00 116.57 3hoy n LEU 126 Ca -0.09 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.24 3hoy n LEU 126 Cb 0.14 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 3hoy n LEU 126 CO 0.34 -0.62 -0.82 0.00 -1.33 0.00 0.00 177.39 174.97 3hoy n ALA 127 N -1.53 1.08 -1.43 -1.18 0.00 -0.64 -4.89 120.51 111.91 3hoy n ALA 127 Ca -0.01 -0.70 -0.47 0.00 0.00 0.00 0.00 53.44 52.27 3hoy n ALA 127 Cb 0.19 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 3hoy n ALA 127 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hoy n ILE 128 N -3.35 0.01 -2.67 0.00 5.41 0.48 -4.87 119.36 114.38 3hoy n ILE 128 Ca -0.30 -0.09 -0.43 0.00 1.00 0.00 0.00 62.75 62.93 3hoy n ILE 128 Cb 1.05 -0.79 -0.02 0.00 -0.71 0.00 0.00 39.64 39.16 3hoy n ILE 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3hoy s LYS 129 N 7.87 4.00 0.00 0.38 1.02 -1.26 -4.55 119.74 127.21 3hoy s LYS 129 Ca 1.26 0.95 0.00 0.00 0.02 0.00 0.00 55.97 58.20 3hoy s LYS 129 Cb -1.20 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 32.35 3hoy s LYS 129 CO 0.52 -0.94 0.00 -3.47 -0.92 0.00 0.00 175.35 170.53 3hoy n ASP 130 N 6.92 0.00 0.00 2.83 -0.08 -1.26 -4.94 116.55 120.02 3hoy n ASP 130 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3hoy n ASP 130 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 3hoy n ASP 130 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3hoy n SER 131 N 0.00 0.00 -0.05 1.67 2.88 -1.26 0.37 113.62 117.22 3hoy n SER 131 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3hoy n SER 131 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3hoy n SER 131 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3hoy h LYS 132 N 0.00 0.45 -0.05 -1.46 1.57 -1.96 -2.57 116.57 112.54 3hoy h LYS 132 Ca 0.00 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 3hoy h LYS 132 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hoy h LYS 132 CO 0.00 0.88 -0.55 0.87 -0.57 0.00 0.00 179.45 180.08 3hoy h LYS 133 N 0.07 0.15 0.38 3.15 1.57 -0.47 -2.35 116.57 119.07 3hoy h LYS 133 Ca 0.01 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3hoy h LYS 133 Cb 0.86 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3hoy h LYS 133 CO 0.06 0.67 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.33 3hoy h ARG 134 N 0.12 -0.49 -0.89 3.15 2.43 -1.12 -1.75 114.38 115.82 3hoy h ARG 134 Ca -0.00 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 3hoy h ARG 134 Cb 1.01 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 3hoy h ARG 134 CO 0.08 -0.22 0.58 0.35 -1.51 0.00 0.00 179.97 179.25 3hoy h PHE 135 N -0.72 0.96 -0.50 2.20 3.57 -1.49 0.43 116.94 121.39 3hoy h PHE 135 Ca -0.05 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3hoy h PHE 135 Cb 0.50 -0.31 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 3hoy h PHE 135 CO -0.00 0.44 0.05 0.00 -2.23 0.00 0.00 178.31 176.56 3hoy h ALA 136 N 1.55 0.52 0.27 2.41 0.00 -1.09 -2.36 119.26 120.56 3hoy h ALA 136 Ca 0.41 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 3hoy h ALA 136 Cb 0.41 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hoy h ALA 136 CO -0.18 -0.35 -0.13 0.00 0.00 0.00 0.00 179.25 178.59 3hoy h ALA 137 N 1.42 -0.45 -1.05 0.00 0.00 -0.10 -3.20 119.26 115.88 3hoy h ALA 137 Ca 0.25 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.43 3hoy h ALA 137 Cb 0.36 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3hoy h ALA 137 CO -0.38 -0.43 0.69 -0.89 0.00 0.00 0.00 179.25 178.25 3hoy n ILE 138 N -4.34 -0.16 0.16 0.00 5.41 -0.11 0.65 119.36 120.97 3hoy n ILE 138 Ca -0.05 1.26 -0.11 0.00 1.00 0.00 0.00 62.75 64.86 3hoy n ILE 138 Cb 0.14 -2.07 -0.06 0.00 -0.71 0.00 0.00 39.64 36.94 3hoy n ILE 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3hoy h TRP 139 N 0.00 -0.44 -1.44 1.39 7.01 -1.48 -1.56 115.95 119.44 3hoy h TRP 139 Ca 0.64 -0.01 0.42 0.00 2.11 0.00 0.00 58.89 62.04 3hoy h TRP 139 Cb 2.13 0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 29.27 3hoy h TRP 139 CO -0.00 -0.12 1.03 1.15 -2.79 0.00 0.00 178.44 177.71 3hoy h THR 140 N -0.99 0.28 0.09 2.65 2.02 0.22 0.30 112.91 117.49 3hoy h THR 140 Ca -0.05 -0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.91 3hoy h THR 140 Cb 0.51 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3hoy h THR 140 CO 0.08 0.00 -1.08 -0.07 0.37 0.00 0.00 175.52 174.82 3hoy h LEU 141 N 0.01 0.31 0.00 2.58 3.38 -1.44 -3.40 115.31 116.75 3hoy h LEU 141 Ca 0.69 -0.85 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3hoy h LEU 141 Cb 2.74 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 43.38 3hoy h LEU 141 CO -0.02 1.47 -0.36 0.00 0.09 0.00 0.00 178.44 179.62 3hoy h LYS 143 N 0.00 0.06 -0.21 0.00 2.10 -0.59 -2.73 116.57 115.20 3hoy h LYS 143 Ca -0.01 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.66 3hoy h LYS 143 Cb 1.26 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 3hoy h LYS 143 CO 0.04 0.04 0.09 1.15 -2.00 0.00 0.00 179.45 178.78 3hoy h THR 144 N 0.06 0.98 -2.38 0.07 2.02 -1.77 -3.42 112.91 108.47 3hoy h THR 144 Ca 0.13 -0.07 -0.54 0.00 0.77 0.00 0.00 66.41 66.70 3hoy h THR 144 Cb 0.18 0.76 0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3hoy h THR 144 CO -0.23 0.04 1.15 1.17 0.37 0.00 0.00 175.52 178.01 3hoy n LYS 145 N -5.01 2.74 -1.25 6.66 3.00 -1.03 -4.88 118.16 118.39 3hoy n LYS 145 Ca -0.03 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.29 3hoy n LYS 145 Cb 0.06 -2.91 0.12 0.00 0.00 0.00 0.00 35.03 32.30 3hoy n LYS 145 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3hoy n MET 146 N 6.41 1.54 -3.69 1.64 2.81 -1.26 -4.93 117.12 119.64 3hoy n MET 146 Ca 0.19 -3.14 -0.10 0.00 -1.81 0.00 0.00 57.70 52.84 3hoy n MET 146 Cb 0.38 -1.32 -0.10 0.00 -0.71 0.00 0.00 33.22 31.46 3hoy n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hoy s VAL 147 N -2.70 -0.11 -1.34 2.03 1.01 -1.26 0.67 120.40 118.70 3hoy s VAL 147 Ca 0.38 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 3hoy s VAL 147 Cb 0.38 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 36.13 3hoy s VAL 147 CO -0.07 0.04 2.11 0.00 0.00 0.00 0.00 175.10 177.18 3hoy n GLU 149 N 6.61 0.00 -0.10 0.00 4.71 -1.26 -2.69 120.64 127.90 3hoy n GLU 149 Ca 0.51 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.52 3hoy n GLU 149 Cb 0.40 -0.84 -0.14 0.00 -1.01 0.00 0.00 31.44 29.85 3hoy n GLU 149 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3hoy n THR 150 N -0.89 1.48 -3.73 2.62 -1.04 -1.26 -4.20 114.28 107.26 3hoy n THR 150 Ca 0.09 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.05 61.28 3hoy n THR 150 Cb 0.34 -1.04 -0.12 0.00 -1.82 0.00 0.00 70.33 67.69 3hoy n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hoy s ASP 151 N -6.13 -0.38 -0.04 8.00 1.01 -1.26 -2.82 116.67 115.06 3hoy s ASP 151 Ca -0.22 0.69 0.05 0.00 0.71 0.00 0.00 52.55 53.78 3hoy s ASP 151 Cb 0.08 0.62 -0.02 0.00 1.01 0.00 0.00 42.92 44.60 3hoy s ASP 151 CO 0.72 -0.16 -0.19 -0.69 0.21 0.00 0.00 175.17 175.05 3hoy s VAL 152 N 0.94 2.61 -0.31 -1.27 1.01 -0.07 -4.78 120.40 118.54 3hoy s VAL 152 Ca -0.06 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3hoy s VAL 152 Cb -0.07 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.26 3hoy s VAL 152 CO -0.07 0.58 2.27 -0.81 0.00 0.00 0.00 175.10 177.07 3hoy n PRO 153 N 2.44 1.61 -0.75 2.72 -0.04 -1.26 -0.67 135.00 139.05 3hoy n PRO 153 Ca -0.17 0.38 -0.34 0.00 -0.04 0.00 0.00 63.50 63.33 3hoy n PRO 153 Cb 0.52 -3.14 0.14 0.00 -0.04 0.00 0.00 33.50 30.98 3hoy n PRO 153 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hoy n SER 154 N 12.26 -2.56 -1.60 3.54 3.41 -1.26 -4.75 113.62 122.66 3hoy n SER 154 Ca 0.34 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3hoy n SER 154 Cb 0.43 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3hoy n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hoy n GLU 155 N -0.97 0.72 0.00 4.33 1.02 -1.26 -4.33 120.64 120.14 3hoy n GLU 155 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hoy n GLU 155 Cb 0.65 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 3hoy n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hoy n ASP 156 N 1.58 0.00 -4.68 1.62 8.00 -1.26 -5.10 116.55 116.70 3hoy n ASP 156 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3hoy n ASP 156 Cb 0.36 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 3hoy n ASP 156 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hoy s ASP 157 N 1.00 7.15 0.00 -2.24 -1.08 -1.26 -4.94 116.67 115.30 3hoy s ASP 157 Ca 0.00 1.41 0.17 0.00 -0.52 0.00 0.00 52.55 53.61 3hoy s ASP 157 Cb 0.00 -2.52 0.99 0.00 -1.46 0.00 0.00 42.92 39.93 3hoy s ASP 157 CO 0.00 -0.42 1.41 -0.81 0.52 0.00 0.00 175.17 175.87 3hoy n PRO 158 N 5.01 0.61 -0.09 4.34 -0.04 -1.26 -3.49 135.00 140.07 3hoy n PRO 158 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 3hoy n PRO 158 Cb 0.49 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 3hoy n PRO 158 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hoy h THR 159 N 0.00 1.19 -3.33 0.52 2.02 -1.95 -3.45 112.91 107.90 3hoy h THR 159 Ca 0.00 -2.13 -0.55 0.00 0.77 0.00 0.00 66.41 64.49 3hoy h THR 159 Cb 0.00 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 3hoy h THR 159 CO 0.00 0.40 0.41 -1.10 0.37 0.00 0.00 175.52 175.60 3hoy s GLN 160 N -2.26 4.46 -0.11 6.66 1.11 -1.23 -5.03 119.66 123.26 3hoy s GLN 160 Ca -0.23 1.29 -0.11 0.00 0.01 0.00 0.00 55.36 56.32 3hoy s GLN 160 Cb 0.02 -3.51 -0.05 0.00 -1.01 0.00 0.00 33.01 28.47 3hoy s GLN 160 CO 0.58 -0.18 0.25 -0.51 0.01 0.00 0.00 175.29 175.45 3hoy s LEU 161 N 1.52 4.35 0.32 2.90 1.43 -1.26 -4.01 118.68 123.93 3hoy s LEU 161 Ca 0.47 0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 54.08 3hoy s LEU 161 Cb -0.19 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 3hoy s LEU 161 CO 0.21 0.28 0.62 -0.69 0.23 0.00 0.00 176.35 176.99 3hoy s VAL 162 N -0.49 4.95 -0.01 -1.59 1.01 0.16 -4.84 120.40 119.59 3hoy s VAL 162 Ca 0.17 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 3hoy s VAL 162 Cb -0.13 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3hoy s VAL 162 CO 0.06 -0.37 0.42 -0.55 0.00 0.00 0.00 175.10 174.65 3hoy s SER 163 N -3.14 6.81 0.00 3.32 0.15 -1.26 -0.89 113.70 118.69 3hoy s SER 163 Ca 0.46 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.08 3hoy s SER 163 Cb -0.11 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 3hoy s SER 163 CO 0.30 0.30 0.00 -2.11 1.20 0.00 0.00 173.24 172.93 3hoy n ARG 164 N 1.96 0.67 -2.10 5.44 1.85 -1.13 -4.95 116.66 118.40 3hoy n ARG 164 Ca -0.13 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.42 3hoy n ARG 164 Cb 0.52 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.95 3hoy n ARG 164 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3hoy s GLY 165 N 0.00 1.61 -0.03 2.89 0.00 -1.26 -4.92 107.32 105.61 3hoy s GLY 165 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 3hoy s GLY 165 CO 0.00 -0.02 0.39 -0.32 0.00 0.00 0.00 173.10 173.14 3hoy s GLY 166 N -4.20 -0.24 0.00 0.20 0.00 -1.26 -4.12 107.32 97.69 3hoy s GLY 166 Ca 0.54 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.81 3hoy s GLY 166 CO 0.51 0.31 0.00 0.00 0.00 0.00 0.00 173.10 173.92 3hoy n GLY 168 N 0.00 0.00 0.00 0.00 0.00 -1.15 -4.49 105.19 99.56 3hoy n GLY 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hoy n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hoy n ASN 169 N -1.12 0.00 -4.55 1.61 3.02 -1.26 -2.64 115.26 110.33 3hoy n ASN 169 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 3hoy n ASN 169 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 3hoy n ASN 169 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3hoy n THR 170 N 0.00 2.80 -3.72 3.41 -1.04 -1.26 -3.61 114.28 110.86 3hoy n THR 170 Ca 0.00 -0.45 -0.37 0.00 -2.04 0.00 0.00 64.05 61.19 3hoy n THR 170 Cb 0.00 -0.94 -0.11 0.00 -1.82 0.00 0.00 70.33 67.46 3hoy n THR 170 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hoy s GLN 171 N -2.75 3.83 0.09 -2.82 -0.21 0.21 -4.91 119.66 113.11 3hoy s GLN 171 Ca 0.72 -0.39 -0.31 0.00 0.02 0.00 0.00 55.36 55.40 3hoy s GLN 171 Cb -0.39 -3.45 -0.11 0.00 1.00 0.00 0.00 33.01 30.06 3hoy s GLN 171 CO 0.52 -0.12 1.86 -0.35 -2.12 0.00 0.00 175.29 175.08 3hoy n PRO 172 N 4.77 2.76 -2.04 2.91 -0.04 -1.26 -4.81 135.00 137.29 3hoy n PRO 172 Ca -0.15 1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.89 3hoy n PRO 172 Cb 0.52 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 31.05 3hoy n PRO 172 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hoy s THR 173 N 3.12 3.63 0.33 0.52 2.01 -1.19 -4.65 115.64 119.40 3hoy s THR 173 Ca 0.84 0.74 -0.05 0.00 0.31 0.00 0.00 61.69 63.53 3hoy s THR 173 Cb -0.49 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3hoy s THR 173 CO 0.39 -0.14 0.61 -0.63 -0.69 0.00 0.00 174.62 174.16 3hoy s ILE 174 N 4.57 4.99 0.17 1.82 1.01 -1.26 -1.32 121.20 131.18 3hoy s ILE 174 Ca 0.73 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.37 3hoy s ILE 174 Cb -0.30 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3hoy s ILE 174 CO 0.29 -0.42 0.36 0.00 0.00 0.00 0.00 174.94 175.17 3hoy s ARG 175 N -3.77 1.23 -0.15 2.79 1.70 0.25 -4.94 118.95 116.06 3hoy s ARG 175 Ca 0.45 -1.07 -0.07 0.00 -0.47 0.00 0.00 55.73 54.56 3hoy s ARG 175 Cb -0.10 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 3hoy s ARG 175 CO 0.32 -0.48 0.11 0.21 -1.08 0.00 0.00 175.30 174.38 3hoy s LYS 176 N -3.94 3.72 -0.24 3.89 2.20 -1.26 -0.54 119.74 123.57 3hoy s LYS 176 Ca 0.14 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.50 3hoy s LYS 176 Cb 0.02 -3.22 0.08 0.00 -1.51 0.00 0.00 37.83 33.19 3hoy s LYS 176 CO -0.01 0.53 0.07 0.34 -0.36 0.00 0.00 175.35 175.93 3hoy s ASP 177 N -0.33 3.24 1.37 1.43 -1.08 0.70 -4.95 116.67 117.04 3hoy s ASP 177 Ca 0.10 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.05 3hoy s ASP 177 Cb -0.12 -0.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.77 3hoy s ASP 177 CO 0.01 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 175.95 3hoy n GLY 178 N 5.07 2.88 1.47 2.66 0.00 -1.26 0.40 105.19 116.41 3hoy n GLY 178 Ca -0.07 0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 3hoy n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hoy n LEU 179 N 0.00 4.99 -4.25 0.99 4.77 -1.26 -4.96 117.00 117.29 3hoy n LEU 179 Ca 0.00 -3.26 -0.25 0.00 -0.03 0.00 0.00 56.01 52.47 3hoy n LEU 179 Cb 0.00 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 40.29 3hoy n LEU 179 CO 0.00 0.85 -0.52 -0.54 -1.33 0.00 0.00 177.39 175.85 3hoy s LYS 180 N -2.99 1.35 -0.27 3.23 1.02 0.16 -4.95 119.74 117.29 3hoy s LYS 180 Ca 0.49 -0.94 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 3hoy s LYS 180 Cb 0.40 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 3hoy s LYS 180 CO 0.09 0.37 0.11 -0.51 -0.92 0.00 0.00 175.35 174.50 3hoy s LEU 181 N -1.20 3.70 -0.07 3.17 1.43 -1.26 -0.22 118.68 124.23 3hoy s LEU 181 Ca 0.07 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3hoy s LEU 181 Cb -0.09 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3hoy s LEU 181 CO 0.02 -0.07 -0.17 -0.69 0.23 0.00 0.00 176.35 175.66 3hoy s VAL 182 N 1.64 2.76 0.14 -1.59 1.01 0.29 -1.52 120.40 123.15 3hoy s VAL 182 Ca 0.06 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.33 3hoy s VAL 182 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3hoy s VAL 182 CO 0.06 0.57 -0.23 -0.83 0.00 0.00 0.00 175.10 174.66 3hoy s GLY 183 N -0.29 1.49 -0.31 4.51 0.00 -1.08 0.85 107.32 112.48 3hoy s GLY 183 Ca 0.01 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.30 3hoy s GLY 183 CO 0.03 -1.47 0.04 -1.35 0.00 0.00 0.00 173.10 170.35 3hoy s SER 184 N -2.28 4.42 1.04 1.64 1.04 -0.44 -2.71 113.70 116.42 3hoy s SER 184 Ca 0.14 -1.85 -0.03 0.00 0.48 0.00 0.00 55.95 54.69 3hoy s SER 184 Cb -0.09 -1.35 0.05 0.00 0.10 0.00 0.00 66.02 64.74 3hoy s SER 184 CO 0.07 -0.36 0.19 0.79 0.98 0.00 0.00 173.24 174.90 3hoy n TRP 185 N 4.49 -3.22 -3.37 5.02 8.01 -1.23 -3.20 117.44 123.93 3hoy n TRP 185 Ca -0.01 -0.17 0.02 0.00 -1.31 0.00 0.00 57.50 56.03 3hoy n TRP 185 Cb 0.42 -0.19 -0.05 0.00 -2.01 0.00 0.00 31.31 29.48 3hoy n TRP 185 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 3hoy s LYS 186 N -3.43 0.14 0.17 -0.99 2.20 -1.26 -3.19 119.74 113.39 3hoy s LYS 186 Ca 0.12 0.33 -0.22 0.00 -0.36 0.00 0.00 55.97 55.84 3hoy s LYS 186 Cb -0.01 0.16 0.06 0.00 -1.51 0.00 0.00 37.83 36.53 3hoy s LYS 186 CO 0.09 -0.04 0.59 -1.59 -0.36 0.00 0.00 175.35 174.04 3hoy s LYS 187 N 1.91 1.32 0.00 4.03 0.00 -1.26 -4.95 119.74 120.79 3hoy s LYS 187 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 55.97 55.39 3hoy s LYS 187 Cb -0.03 0.58 0.00 0.00 0.00 0.00 0.00 37.83 38.38 3hoy s LYS 187 CO -0.15 -0.58 0.00 -3.47 0.00 0.00 0.00 175.35 171.15 3hoy n ASP 188 N -0.37 0.00 -0.38 0.03 2.03 -1.26 -5.02 116.55 111.58 3hoy n ASP 188 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 3hoy n ASP 188 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 3hoy n ASP 188 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3hoy n GLU 196 N 0.00 0.00 -2.14 -0.67 2.13 -1.26 -5.32 120.64 113.38 3hoy n GLU 196 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 3hoy n GLU 196 Cb 0.00 -0.19 0.15 0.00 0.27 0.00 0.00 31.44 31.67 3hoy n GLU 196 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3hoy s PRO 197 N -1.32 1.08 -0.55 5.31 0.04 -1.26 -4.87 135.00 133.43 3hoy s PRO 197 Ca 0.00 -0.59 0.04 0.00 0.04 0.00 0.00 61.00 60.49 3hoy s PRO 197 Cb 0.00 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 32.69 3hoy s PRO 197 CO 0.00 -2.04 0.39 -2.00 0.04 0.00 0.00 177.00 173.40 3hoy s GLU 198 N -5.62 1.68 0.01 4.56 2.12 -1.19 -4.98 118.70 115.27 3hoy s GLU 198 Ca 0.71 -2.66 -0.30 0.00 0.36 0.00 0.00 54.97 53.08 3hoy s GLU 198 Cb -0.05 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 31.80 3hoy s GLU 198 CO 0.50 -1.30 1.25 -0.51 -0.54 0.00 0.00 175.26 174.65 3hoy s LEU 199 N -0.58 4.33 -0.13 2.70 1.43 -1.26 -3.54 118.68 121.62 3hoy s LEU 199 Ca 0.27 1.98 -0.22 0.00 -1.03 0.00 0.00 54.13 55.13 3hoy s LEU 199 Cb -0.05 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.66 3hoy s LEU 199 CO -0.15 -0.56 0.55 0.00 0.23 0.00 0.00 176.35 176.42 3hoy s ARG 200 N 1.70 0.77 -0.06 1.70 1.70 -1.10 -5.06 118.95 118.60 3hoy s ARG 200 Ca 0.59 0.47 -0.30 0.00 -0.47 0.00 0.00 55.73 56.03 3hoy s ARG 200 Cb -0.29 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 3hoy s ARG 200 CO 0.26 -0.16 1.02 0.08 -1.08 0.00 0.00 175.30 175.42 3hoy s VAL 201 N -0.39 4.74 0.12 4.99 1.01 -1.26 -2.62 120.40 126.99 3hoy s VAL 201 Ca -0.05 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 3hoy s VAL 201 Cb -0.03 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 3hoy s VAL 201 CO 0.04 0.06 1.23 -0.76 0.00 0.00 0.00 175.10 175.67 3hoy s LEU 202 N 1.66 4.40 0.68 3.92 1.43 -0.57 -4.98 118.68 125.21 3hoy s LEU 202 Ca 0.51 2.16 -0.09 0.00 -1.03 0.00 0.00 54.13 55.67 3hoy s LEU 202 Cb -0.20 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.45 3hoy s LEU 202 CO 0.22 -0.46 1.03 -0.94 0.23 0.00 0.00 176.35 176.43 3hoy s SER 203 N 0.66 5.29 -0.01 2.29 1.04 -1.26 -4.57 113.70 117.14 3hoy s SER 203 Ca 0.57 0.85 -0.20 0.00 0.48 0.00 0.00 55.95 57.64 3hoy s SER 203 Cb -0.32 -1.65 -0.11 0.00 0.10 0.00 0.00 66.02 64.03 3hoy s SER 203 CO 0.33 -1.35 0.86 0.74 0.98 0.00 0.00 173.24 174.79 3hoy h THR 204 N -0.53 0.00 -0.96 2.02 2.02 -1.95 -1.69 112.91 111.82 3hoy h THR 204 Ca -0.45 -0.44 0.24 0.00 0.77 0.00 0.00 66.41 66.53 3hoy h THR 204 Cb 1.27 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.50 3hoy h THR 204 CO 0.63 0.00 -0.06 -0.62 0.37 0.00 0.00 175.52 175.83 3hoy n GLU 205 N -5.21 -0.08 0.36 6.66 1.02 -1.26 0.52 120.64 122.66 3hoy n GLU 205 Ca -0.09 1.45 -0.18 0.00 -0.02 0.00 0.00 57.16 58.32 3hoy n GLU 205 Cb 0.29 -2.27 -0.09 0.00 -0.02 0.00 0.00 31.44 29.35 3hoy n GLU 205 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3hoy h GLU 206 N 0.00 -0.99 -0.63 3.49 4.81 -1.92 -1.13 114.58 118.21 3hoy h GLU 206 Ca 0.54 0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.79 3hoy h GLU 206 Cb 1.04 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 3hoy h GLU 206 CO -0.93 -0.66 0.18 0.82 -0.73 0.00 0.00 179.01 177.69 3hoy h ILE 207 N -1.03 1.25 -0.58 2.32 2.04 0.27 -2.05 117.51 119.73 3hoy h ILE 207 Ca -0.08 -0.88 0.10 0.00 1.00 0.00 0.00 64.86 65.00 3hoy h ILE 207 Cb 0.84 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 3hoy h ILE 207 CO 0.07 0.33 0.16 0.25 0.00 0.00 0.00 178.15 178.96 3hoy h LEU 208 N 0.91 0.10 -0.04 1.44 6.46 0.13 -1.99 115.31 122.32 3hoy h LEU 208 Ca 0.20 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 3hoy h LEU 208 Cb 0.32 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3hoy h LEU 208 CO -0.00 0.07 0.02 -1.13 -0.62 0.00 0.00 178.44 176.77 3hoy h ASN 209 N 0.32 0.06 -0.45 1.25 -0.73 -0.76 -0.84 115.58 114.43 3hoy h ASN 209 Ca 0.30 -0.14 0.09 0.00 1.87 0.00 0.00 56.30 58.42 3hoy h ASN 209 Cb 0.40 -0.01 -0.10 0.00 0.27 0.00 0.00 38.32 38.88 3hoy h ASN 209 CO -0.34 0.18 -0.24 0.40 -0.37 0.00 0.00 177.43 177.05 3hoy h ILE 210 N -0.07 0.33 -0.04 2.57 2.04 -0.94 -1.31 117.51 120.10 3hoy h ILE 210 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3hoy h ILE 210 Cb 0.14 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 3hoy h ILE 210 CO -0.00 0.00 -0.28 -0.26 0.00 0.00 0.00 178.15 177.61 3hoy h PHE 211 N -0.15 -0.75 0.00 1.37 0.04 -1.15 0.12 116.94 116.42 3hoy h PHE 211 Ca 0.21 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3hoy h PHE 211 Cb 0.48 0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.97 3hoy h PHE 211 CO -0.49 -0.37 0.52 0.87 -0.60 0.00 0.00 178.31 178.23 3hoy h LYS 212 N -0.40 0.00 -0.02 1.51 1.57 0.01 1.11 116.57 120.35 3hoy h LYS 212 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3hoy h LYS 212 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3hoy h LYS 212 CO -0.26 0.00 -0.28 0.72 -0.57 0.00 0.00 179.45 179.06 3hoy n HIS 213 N -2.40 0.00 -2.08 -1.35 8.25 0.36 -4.95 115.22 113.05 3hoy n HIS 213 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3hoy n HIS 213 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 3hoy n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hoy s ILE 214 N -1.95 3.16 0.36 1.59 1.01 0.38 -4.82 121.20 120.93 3hoy s ILE 214 Ca 0.17 0.76 -0.28 0.00 0.00 0.00 0.00 60.65 61.30 3hoy s ILE 214 Cb 0.15 -3.49 -0.12 0.00 0.01 0.00 0.00 42.46 39.01 3hoy s ILE 214 CO 0.40 0.04 1.39 -1.54 0.00 0.00 0.00 174.94 175.23 3hoy n SER 215 N 4.49 3.30 -0.35 3.58 3.41 -1.26 -4.77 113.62 122.02 3hoy n SER 215 Ca 0.13 1.22 0.14 0.00 -0.26 0.00 0.00 58.87 60.10 3hoy n SER 215 Cb 0.41 -1.56 0.34 0.00 -0.26 0.00 0.00 64.21 63.14 3hoy n SER 215 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3hoy h VAL 216 N 2.76 0.68 0.00 -3.33 2.07 -1.99 0.96 116.25 117.40 3hoy h VAL 216 Ca -0.48 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3hoy h VAL 216 Cb 1.26 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3hoy h VAL 216 CO 0.63 0.13 -0.06 0.11 0.02 0.00 0.00 177.57 178.40 3hoy h LYS 217 N 0.73 0.00 0.00 1.57 1.57 -2.01 -3.01 116.57 115.42 3hoy h LYS 217 Ca 0.59 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.24 3hoy h LYS 217 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 3hoy h LYS 217 CO -0.39 0.06 -0.93 -0.44 -0.57 0.00 0.00 179.45 177.19 3hoy h ASP 218 N 0.00 0.00 0.00 0.86 3.32 0.53 -2.94 116.42 118.19 3hoy h ASP 218 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hoy h ASP 218 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3hoy h ASP 218 CO 0.01 0.50 0.00 0.49 -1.72 0.00 0.00 179.24 178.51 3hoy n PHE 219 N -3.04 0.00 -0.06 4.55 0.99 -0.24 -2.53 117.46 117.13 3hoy n PHE 219 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.41 3hoy n PHE 219 Cb 0.77 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 39.24 3hoy n PHE 219 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3hoy n THR 220 N -0.53 -0.09 -0.32 4.37 -1.04 -1.23 0.44 114.28 115.88 3hoy n THR 220 Ca 0.00 0.33 0.14 0.00 -2.04 0.00 0.00 64.05 62.48 3hoy n THR 220 Cb 0.00 -0.41 0.32 0.00 -1.82 0.00 0.00 70.33 68.42 3hoy n THR 220 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3hoy h SER 221 N 0.00 0.53 -2.64 8.00 4.64 -1.53 -1.99 113.55 120.57 3hoy h SER 221 Ca 0.03 0.13 -0.75 0.00 -0.47 0.00 0.00 61.79 60.72 3hoy h SER 221 Cb 0.06 0.06 -0.21 0.00 -0.31 0.00 0.00 62.40 62.00 3hoy h SER 221 CO -0.13 0.10 1.03 -0.76 -0.87 0.00 0.00 176.83 176.21 3hoy s LEU 222 N -10.40 5.48 0.00 5.97 1.43 1.51 -4.37 118.68 118.30 3hoy s LEU 222 Ca -0.11 -3.12 0.00 0.00 -1.03 0.00 0.00 54.13 49.86 3hoy s LEU 222 Cb 0.25 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 44.13 3hoy s LEU 222 CO 0.79 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3hoy n GLY 223 N 3.75 0.00 0.00 -3.19 0.00 -0.75 -4.76 105.19 100.24 3hoy n GLY 223 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3hoy n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hoy n PHE 224 N -0.38 0.00 -3.27 1.61 3.01 -1.24 -4.53 117.46 112.65 3hoy n PHE 224 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 3hoy n PHE 224 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3hoy n PHE 224 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3hoy s ASN 225 N 0.30 -0.66 0.46 4.37 2.47 -1.04 -4.43 114.94 116.41 3hoy s ASN 225 Ca 0.00 0.64 0.33 0.00 0.42 0.00 0.00 52.86 54.25 3hoy s ASN 225 Cb 0.00 1.71 1.48 0.00 -1.45 0.00 0.00 41.25 42.98 3hoy s ASN 225 CO 0.00 -0.27 1.61 -0.08 -3.72 0.00 0.00 177.10 174.64 3hoy h GLU 226 N 8.08 0.06 0.01 0.43 4.81 -1.89 0.10 114.58 126.18 3hoy h GLU 226 Ca -0.21 -0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.60 3hoy h GLU 226 Cb 1.15 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 3hoy h GLU 226 CO 0.25 0.04 -2.44 0.28 -0.73 0.00 0.00 179.01 176.41 3hoy n VAL 227 N -4.60 1.52 -0.06 0.32 0.31 -1.26 -4.77 118.33 109.80 3hoy n VAL 227 Ca 0.38 -0.49 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 3hoy n VAL 227 Cb 1.52 -1.62 -0.15 0.00 -0.91 0.00 0.00 33.84 32.68 3hoy n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hoy n PHE 228 N -3.66 0.57 -3.03 3.52 0.99 -1.06 -4.93 117.46 109.86 3hoy n PHE 228 Ca -0.48 0.20 -0.00 0.00 -0.00 0.00 0.00 57.45 57.17 3hoy n PHE 228 Cb 0.95 -1.11 -0.00 0.00 -1.00 0.00 0.00 39.48 38.32 3hoy n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3hoy s SER 229 N -5.83 -1.29 0.10 4.37 1.04 0.33 -1.20 113.70 111.21 3hoy s SER 229 Ca -0.07 -0.86 -0.19 0.00 0.48 0.00 0.00 55.95 55.31 3hoy s SER 229 Cb 0.07 1.66 -0.07 0.00 0.10 0.00 0.00 66.02 67.78 3hoy s SER 229 CO 0.83 -0.12 0.59 0.00 0.98 0.00 0.00 173.24 175.52 3hoy s ARG 230 N 1.63 4.21 0.29 4.02 1.70 -1.23 -2.49 118.95 127.09 3hoy s ARG 230 Ca 0.19 0.75 0.00 0.00 -0.47 0.00 0.00 55.73 56.20 3hoy s ARG 230 Cb -0.01 -3.19 0.69 0.00 -0.57 0.00 0.00 34.95 31.86 3hoy s ARG 230 CO -0.08 0.61 1.49 -2.30 -1.08 0.00 0.00 175.30 173.94 3hoy n PRO 231 N 1.56 -0.08 0.18 3.89 -0.02 -1.26 0.35 135.00 139.62 3hoy n PRO 231 Ca -0.09 1.43 0.17 0.00 -2.02 0.00 0.00 63.50 62.99 3hoy n PRO 231 Cb 0.51 -2.26 0.65 0.00 -0.02 0.00 0.00 33.50 32.38 3hoy n PRO 231 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hoy h GLU 232 N 0.00 0.00 0.00 -0.52 4.11 -1.89 0.18 114.58 116.47 3hoy h GLU 232 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 3hoy h GLU 232 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3hoy h GLU 232 CO -0.91 0.00 0.00 0.91 0.07 0.00 0.00 179.01 179.08 3hoy n TRP 233 N -3.18 0.00 1.87 2.06 8.01 0.15 -2.81 117.44 123.54 3hoy n TRP 233 Ca 0.05 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.30 3hoy n TRP 233 Cb 0.67 -0.43 0.38 0.00 -2.01 0.00 0.00 31.31 29.93 3hoy n TRP 233 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 3hoy n MET 234 N -1.43 0.94 -3.99 -0.99 2.81 0.64 -4.45 117.12 110.65 3hoy n MET 234 Ca 0.09 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.66 3hoy n MET 234 Cb 0.29 -1.22 -0.14 0.00 -0.71 0.00 0.00 33.22 31.44 3hoy n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hoy s ILE 235 N -2.00 2.44 0.27 2.02 1.01 -1.12 -3.74 121.20 120.07 3hoy s ILE 235 Ca 0.19 -2.18 -0.31 0.00 0.00 0.00 0.00 60.65 58.35 3hoy s ILE 235 Cb 0.09 -2.72 -0.13 0.00 0.01 0.00 0.00 42.46 39.71 3hoy s ILE 235 CO 0.15 -0.52 1.50 0.18 0.00 0.00 0.00 174.94 176.25 3hoy n LEU 236 N 4.34 3.72 0.04 2.97 4.77 -0.74 -4.80 117.00 127.29 3hoy n LEU 236 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 3hoy n LEU 236 Cb 0.42 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 3hoy n LEU 236 CO 0.24 -0.18 -0.19 0.41 -1.33 0.00 0.00 177.39 176.34 3hoy n THR 237 N 2.04 0.44 -4.35 -5.08 -1.04 -1.26 -2.39 114.28 102.64 3hoy n THR 237 Ca 0.10 0.15 -0.34 0.00 -2.04 0.00 0.00 64.05 61.92 3hoy n THR 237 Cb 0.34 -1.27 -0.14 0.00 -1.82 0.00 0.00 70.33 67.44 3hoy n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoy s LEU 239 N 0.80 4.02 0.07 0.00 2.96 -0.24 -4.85 118.68 121.43 3hoy s LEU 239 Ca -0.03 -0.00 -0.31 0.00 -0.22 0.00 0.00 54.13 53.57 3hoy s LEU 239 Cb -0.15 -2.12 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 3hoy s LEU 239 CO 0.01 -0.04 1.33 -2.16 -1.32 0.00 0.00 176.35 174.17 3hoy s PRO 240 N 1.70 4.35 -0.44 0.98 0.04 -1.26 -1.61 135.00 138.75 3hoy s PRO 240 Ca 0.07 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 3hoy s PRO 240 Cb -0.16 -3.36 0.04 0.00 0.04 0.00 0.00 34.50 31.06 3hoy s PRO 240 CO 0.10 -0.41 0.37 0.08 0.04 0.00 0.00 177.00 177.18 3hoy s VAL 241 N 1.42 5.21 0.37 -0.36 1.01 0.31 -4.96 120.40 123.40 3hoy s VAL 241 Ca 0.62 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 3hoy s VAL 241 Cb -0.33 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 3hoy s VAL 241 CO 0.29 -0.44 1.34 -2.16 0.00 0.00 0.00 175.10 174.13 3hoy s PRO 242 N 1.78 4.14 0.65 2.72 0.04 -1.26 -2.16 135.00 140.92 3hoy s PRO 242 Ca 0.06 2.26 -0.13 0.00 0.04 0.00 0.00 61.00 63.23 3hoy s PRO 242 Cb -0.20 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 3hoy s PRO 242 CO 0.10 -0.39 1.07 -1.25 0.04 0.00 0.00 177.00 176.57 3hoy s PRO 243 N -2.04 3.03 0.09 0.56 0.04 -1.26 -4.86 135.00 130.56 3hoy s PRO 243 Ca 0.53 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 3hoy s PRO 243 Cb -0.40 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.19 3hoy s PRO 243 CO 0.53 -1.04 0.71 -2.30 0.04 0.00 0.00 177.00 174.94 3hoy n PRO 244 N -2.59 -0.15 -0.48 0.56 -0.02 -1.26 -0.02 135.00 131.04 3hoy n PRO 244 Ca 0.09 0.70 0.42 0.00 -2.02 0.00 0.00 63.50 62.68 3hoy n PRO 244 Cb 0.53 -1.03 0.67 0.00 -0.02 0.00 0.00 33.50 33.65 3hoy n PRO 244 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hoy h PRO 245 N 0.00 0.00 0.09 0.52 0.11 -1.93 0.56 132.00 131.35 3hoy h PRO 245 Ca 0.12 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.95 3hoy h PRO 245 Cb 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3hoy h PRO 245 CO -0.44 0.00 -1.39 0.28 -0.21 0.00 0.00 178.00 176.24 3hoy h VAL 246 N 0.00 1.30 -2.04 3.15 2.07 -0.79 -3.39 116.25 116.55 3hoy h VAL 246 Ca 0.73 -2.96 -0.51 0.00 0.82 0.00 0.00 66.70 64.78 3hoy h VAL 246 Cb 3.30 2.79 -0.41 0.00 -1.52 0.00 0.00 31.29 35.45 3hoy h VAL 246 CO -0.01 0.83 -1.05 -2.11 0.02 0.00 0.00 177.57 175.25 3hoy n ARG 247 N -3.41 1.58 -1.68 1.57 1.85 0.17 -5.04 116.66 111.69 3hoy n ARG 247 Ca -0.12 -3.77 -0.37 0.00 -1.00 0.00 0.00 57.85 52.60 3hoy n ARG 247 Cb 1.02 -1.84 0.07 0.00 -1.05 0.00 0.00 32.46 30.66 3hoy n ARG 247 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3hoy n PRO 248 N 0.13 1.02 -0.12 2.89 -0.04 0.16 -4.41 135.00 134.62 3hoy n PRO 248 Ca 0.26 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3hoy n PRO 248 Cb 0.60 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3hoy n PRO 248 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hoy n SER 249 N -1.69 0.00 -3.43 3.54 3.41 -1.26 -3.91 113.62 110.29 3hoy n SER 249 Ca 0.15 -0.32 -0.16 0.00 -0.26 0.00 0.00 58.87 58.28 3hoy n SER 249 Cb 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3hoy n SER 249 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hoy s ILE 250 N 0.44 -0.41 -0.65 -1.33 1.01 0.19 -4.89 121.20 115.55 3hoy s ILE 250 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 3hoy s ILE 250 Cb 0.00 -0.84 0.14 0.00 0.01 0.00 0.00 42.46 41.77 3hoy s ILE 250 CO 0.00 -0.31 0.70 -0.94 0.00 0.00 0.00 174.94 174.39 3hoy s SER 251 N 2.38 6.34 -1.33 3.58 1.04 -1.26 -3.41 113.70 121.03 3hoy s SER 251 Ca 0.09 -1.83 -0.17 0.00 0.48 0.00 0.00 55.95 54.52 3hoy s SER 251 Cb -0.15 -2.27 0.06 0.00 0.10 0.00 0.00 66.02 63.76 3hoy s SER 251 CO -0.22 -0.94 1.85 0.49 0.98 0.00 0.00 173.24 175.40 3hoy n PHE 252 N 5.62 4.41 -0.06 5.02 3.01 -1.26 -4.84 117.46 129.34 3hoy n PHE 252 Ca -0.03 -2.86 0.00 0.00 1.01 0.00 0.00 57.45 55.56 3hoy n PHE 252 Cb 0.43 -2.62 0.00 0.00 -0.01 0.00 0.00 39.48 37.28 3hoy n PHE 252 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3hoy n ASN 253 N 7.91 0.00 0.00 4.37 3.02 -1.26 -4.43 115.26 124.88 3hoy n ASN 253 Ca 0.50 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 3hoy n ASN 253 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3hoy n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hoy n GLU 254 N 9.32 0.00 -0.56 3.52 -0.58 -1.26 -4.80 120.64 126.28 3hoy n GLU 254 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 3hoy n GLU 254 Cb 0.00 -0.04 -0.03 0.00 -0.57 0.00 0.00 31.44 30.80 3hoy n GLU 254 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3hoy n SER 255 N -1.51 3.62 -3.72 1.62 3.41 -1.26 -4.79 113.62 110.98 3hoy n SER 255 Ca 0.00 -2.18 -0.13 0.00 -0.26 0.00 0.00 58.87 56.29 3hoy n SER 255 Cb 0.00 -0.90 -0.10 0.00 -0.26 0.00 0.00 64.21 62.95 3hoy n SER 255 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hoy s GLN 256 N 3.31 0.54 0.00 4.33 -0.21 -1.26 -5.08 119.66 121.28 3hoy s GLN 256 Ca 0.32 0.54 0.00 0.00 0.02 0.00 0.00 55.36 56.23 3hoy s GLN 256 Cb 0.10 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.37 3hoy s GLN 256 CO -0.02 -0.08 0.00 0.54 -2.12 0.00 0.00 175.29 173.61 3hoy n ARG 257 N 2.66 2.37 0.00 2.91 5.12 -1.26 -4.44 116.66 124.02 3hoy n ARG 257 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 3hoy n ARG 257 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 3hoy n ARG 257 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hoy n GLY 258 N 0.00 0.01 3.75 -0.13 0.00 -1.22 -4.16 105.19 103.44 3hoy n GLY 258 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hoy n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hoy s GLU 259 N 0.00 4.34 1.01 1.61 0.41 -1.26 0.54 118.70 125.35 3hoy s GLU 259 Ca 0.00 2.19 -0.12 0.00 -0.41 0.00 0.00 54.97 56.64 3hoy s GLU 259 Cb 0.00 -3.12 0.20 0.00 -1.78 0.00 0.00 34.13 29.43 3hoy s GLU 259 CO 0.00 -0.28 1.08 0.34 -0.49 0.00 0.00 175.26 175.91 3hoy s ASP 260 N 0.06 2.30 0.08 -0.19 -1.08 -1.25 -4.90 116.67 111.68 3hoy s ASP 260 Ca 0.55 1.67 -0.23 0.00 -0.52 0.00 0.00 52.55 54.02 3hoy s ASP 260 Cb -0.39 -2.31 -0.15 0.00 -1.46 0.00 0.00 42.92 38.60 3hoy s ASP 260 CO 0.45 -3.40 1.71 -0.78 0.52 0.00 0.00 175.17 173.66 3hoy h ASP 261 N -2.08 0.02 -0.45 -0.34 1.82 -1.92 -2.93 116.42 110.54 3hoy h ASP 261 Ca -0.53 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.06 3hoy h ASP 261 Cb 1.30 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.28 3hoy h ASP 261 CO 0.50 0.05 0.23 -0.07 -1.61 0.00 0.00 179.24 178.33 3hoy h LEU 262 N -0.02 0.62 -1.98 2.28 3.38 -1.93 -1.33 115.31 116.33 3hoy h LEU 262 Ca 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3hoy h LEU 262 Cb 0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hoy h LEU 262 CO -0.00 0.54 -0.08 0.74 0.09 0.00 0.00 178.44 179.73 3hoy h THR 263 N 0.69 0.86 -0.00 0.22 2.02 -1.82 -2.12 112.91 112.76 3hoy h THR 263 Ca 0.17 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3hoy h THR 263 Cb 0.09 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3hoy h THR 263 CO -0.02 0.08 -0.06 -0.26 0.37 0.00 0.00 175.52 175.62 3hoy h PHE 264 N 0.00 0.06 0.00 3.16 0.05 -1.14 -2.98 116.94 116.09 3hoy h PHE 264 Ca -0.00 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.75 3hoy h PHE 264 Cb 0.16 -0.01 -0.00 0.00 2.00 0.00 0.00 35.95 38.10 3hoy h PHE 264 CO 0.00 0.83 -0.00 -0.22 -0.18 0.00 0.00 178.31 178.74 3hoy h LYS 265 N -0.72 0.00 0.00 1.51 1.63 -1.20 0.00 116.57 117.80 3hoy h LYS 265 Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3hoy h LYS 265 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 3hoy h LYS 265 CO 0.01 0.00 -0.01 -0.07 -3.45 0.00 0.00 179.45 175.93 3hoy h LEU 266 N 0.00 0.01 -1.21 5.20 3.38 -1.44 -1.80 115.31 119.45 3hoy h LEU 266 Ca -0.00 -0.92 0.24 0.00 0.09 0.00 0.00 57.88 57.29 3hoy h LEU 266 Cb 0.08 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3hoy h LEU 266 CO 0.00 0.93 0.63 0.00 0.09 0.00 0.00 178.44 180.09 3hoy h ALA 267 N 0.08 2.01 0.19 1.53 0.00 -1.10 1.08 119.26 123.05 3hoy h ALA 267 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hoy h ALA 267 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hoy h ALA 267 CO 0.00 -0.42 -0.09 -0.44 0.00 0.00 0.00 179.25 178.31 3hoy h ASP 268 N 0.52 -0.21 -0.90 0.00 5.19 -0.98 0.30 116.42 120.33 3hoy h ASP 268 Ca 0.60 -0.20 0.07 0.00 -0.62 0.00 0.00 57.03 56.88 3hoy h ASP 268 Cb 1.29 0.06 -0.07 0.00 0.18 0.00 0.00 39.33 40.79 3hoy h ASP 268 CO -0.35 0.09 0.56 0.40 -3.12 0.00 0.00 179.24 176.82 3hoy h ILE 269 N -0.53 1.02 -0.43 0.35 2.04 0.45 0.19 117.51 120.61 3hoy h ILE 269 Ca -0.03 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3hoy h ILE 269 Cb 0.40 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3hoy h ILE 269 CO 0.04 0.18 0.05 0.25 0.00 0.00 0.00 178.15 178.67 3hoy h LEU 270 N 1.00 0.70 0.74 1.44 5.85 0.12 -1.19 115.31 123.96 3hoy h LEU 270 Ca 0.41 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3hoy h LEU 270 Cb 0.24 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.09 3hoy h LEU 270 CO -0.20 0.80 -0.36 0.11 -0.34 0.00 0.00 178.44 178.46 3hoy h LYS 271 N 0.57 -0.96 -0.66 1.25 1.57 0.62 -0.62 116.57 118.35 3hoy h LYS 271 Ca 0.13 0.07 0.19 0.00 -1.87 0.00 0.00 60.65 59.16 3hoy h LYS 271 Cb 0.41 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3hoy h LYS 271 CO 0.01 -0.64 0.71 0.00 -0.57 0.00 0.00 179.45 178.96 3hoy h ALA 272 N -1.50 2.45 0.11 3.86 0.00 -0.67 -0.38 119.26 123.13 3hoy h ALA 272 Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hoy h ALA 272 Cb 0.76 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hoy h ALA 272 CO 0.17 -1.05 -0.05 -0.97 0.00 0.00 0.00 179.25 177.35 3hoy h ASN 273 N 0.00 -0.12 -0.86 0.00 -1.24 -0.71 -3.08 115.58 109.57 3hoy h ASN 273 Ca 0.31 -0.01 0.22 0.00 0.71 0.00 0.00 56.30 57.54 3hoy h ASN 273 Cb 1.73 0.03 -0.15 0.00 0.73 0.00 0.00 38.32 40.66 3hoy h ASN 273 CO -0.00 0.36 0.14 0.40 -1.29 0.00 0.00 177.43 177.04 3hoy h ILE 274 N -1.04 0.27 -0.11 2.57 2.04 0.05 -0.60 117.51 120.70 3hoy h ILE 274 Ca -0.01 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3hoy h ILE 274 Cb 0.12 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3hoy h ILE 274 CO 0.02 0.03 -0.14 -1.28 0.00 0.00 0.00 178.15 176.78 3hoy h SER 275 N 0.15 -0.46 0.00 1.72 0.87 -1.19 -2.13 113.55 112.50 3hoy h SER 275 Ca 0.52 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 3hoy h SER 275 Cb 1.03 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3hoy h SER 275 CO -0.70 -0.10 0.00 -0.11 -0.53 0.00 0.00 176.83 175.39 3hoy n LEU 276 N -3.37 0.00 -0.20 2.23 7.94 -0.25 -2.53 117.00 120.83 3hoy n LEU 276 Ca -0.01 0.49 0.01 0.00 -1.11 0.00 0.00 56.01 55.39 3hoy n LEU 276 Cb 0.08 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.07 3hoy n LEU 276 CO -0.00 0.00 0.32 1.21 -1.11 0.00 0.00 177.39 177.81 3hoy n GLU 277 N -0.89 -0.10 0.20 1.96 2.13 -1.08 0.31 120.64 123.17 3hoy n GLU 277 Ca 0.00 0.81 0.14 0.00 0.66 0.00 0.00 57.16 58.77 3hoy n GLU 277 Cb 0.00 -1.21 0.71 0.00 0.27 0.00 0.00 31.44 31.22 3hoy n GLU 277 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3hoy h THR 278 N 0.00 0.00 0.01 6.31 2.02 -1.08 -0.95 112.91 119.22 3hoy h THR 278 Ca 0.20 -0.02 -0.27 0.00 0.77 0.00 0.00 66.41 67.09 3hoy h THR 278 Cb 0.33 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3hoy h THR 278 CO -0.53 0.00 -1.52 -0.07 0.37 0.00 0.00 175.52 173.78 3hoy h LEU 279 N 0.00 0.04 -0.53 2.58 3.38 0.51 -3.13 115.31 118.16 3hoy h LEU 279 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hoy h LEU 279 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hoy h LEU 279 CO 0.00 1.06 0.00 -0.62 0.09 0.00 0.00 178.44 178.97 3hoy n GLU 280 N -3.17 1.36 0.00 1.13 1.02 -0.39 -2.61 120.64 117.98 3hoy n GLU 280 Ca -0.13 -0.53 0.03 0.00 -0.02 0.00 0.00 57.16 56.52 3hoy n GLU 280 Cb 1.02 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 31.02 3hoy n GLU 280 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hoy n HIS 281 N -0.33 0.00 -2.70 -0.32 -0.00 -1.00 -4.97 115.22 105.89 3hoy n HIS 281 Ca 0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.38 3hoy n HIS 281 Cb 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 3hoy n HIS 281 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3hoy n ASN 282 N 0.20 0.55 -4.53 0.26 5.03 -1.07 -5.02 115.26 110.67 3hoy n ASN 282 Ca 0.04 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.10 3hoy n ASN 282 Cb 0.16 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.85 3hoy n ASN 282 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hoy n GLY 283 N 1.94 0.03 3.09 7.41 0.00 -1.26 -4.80 105.19 111.60 3hoy n GLY 283 Ca 0.00 0.82 -0.43 0.00 0.00 0.00 0.00 46.02 46.41 3hoy n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoy n ALA 284 N 13.89 4.89 -0.42 4.61 0.00 -1.24 -4.87 120.51 137.37 3hoy n ALA 284 Ca 0.46 -4.61 -0.12 0.00 0.00 0.00 0.00 53.44 49.17 3hoy n ALA 284 Cb 0.38 -2.59 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 3hoy n ALA 284 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hoy n PRO 285 N 2.63 1.16 0.00 0.00 -0.04 -1.26 -4.82 135.00 132.67 3hoy n PRO 285 Ca 0.30 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 3hoy n PRO 285 Cb 0.36 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3hoy n PRO 285 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hoy n HIS 286 N 4.39 0.00 0.00 0.54 8.25 -1.26 -0.92 115.22 126.22 3hoy n HIS 286 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3hoy n HIS 286 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3hoy n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hoy n HIS 287 N 0.00 0.00 0.00 4.41 8.25 -1.26 0.17 115.22 126.79 3hoy n HIS 287 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hoy n HIS 287 Cb 0.00 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 30.98 3hoy n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hoy n ALA 288 N 1.24 0.23 0.01 -1.41 0.00 -0.09 -4.66 120.51 115.83 3hoy n ALA 288 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3hoy n ALA 288 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3hoy n ALA 288 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hoy h ILE 289 N 0.00 1.40 0.00 0.00 2.04 0.17 -2.91 117.51 118.21 3hoy h ILE 289 Ca 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.78 3hoy h ILE 289 Cb 0.00 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3hoy h ILE 289 CO 0.00 0.61 0.00 1.05 0.00 0.00 0.00 178.15 179.81 3hoy h GLU 290 N -0.00 0.00 -0.35 2.37 4.11 -1.81 0.37 114.58 119.26 3hoy h GLU 290 Ca -0.08 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.25 3hoy h GLU 290 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3hoy h GLU 290 CO 0.13 0.00 -0.17 0.93 0.07 0.00 0.00 179.01 179.97 3hoy h GLU 291 N 0.00 0.73 0.00 1.06 5.08 -1.78 -2.78 114.58 116.90 3hoy h GLU 291 Ca 0.00 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 3hoy h GLU 291 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hoy h GLU 291 CO 0.00 0.93 -0.36 0.00 -1.00 0.00 0.00 179.01 178.58 3hoy h ALA 292 N 0.78 0.85 -0.15 3.43 0.00 -0.36 -3.26 119.26 120.55 3hoy h ALA 292 Ca 0.08 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3hoy h ALA 292 Cb 0.71 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hoy h ALA 292 CO 0.05 0.45 -0.24 1.49 0.00 0.00 0.00 179.25 181.00 3hoy h GLU 293 N 0.00 0.43 -0.58 0.00 4.81 -1.06 -3.03 114.58 115.15 3hoy h GLU 293 Ca -0.00 -0.26 0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3hoy h GLU 293 Cb 1.10 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 3hoy h GLU 293 CO 0.05 0.85 0.40 0.77 -0.73 0.00 0.00 179.01 180.35 3hoy h SER 294 N 0.05 0.18 0.44 1.04 0.02 -1.54 -1.05 113.55 112.69 3hoy h SER 294 Ca 0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3hoy h SER 294 Cb 0.82 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3hoy h SER 294 CO 0.06 0.10 -0.21 0.25 -1.14 0.00 0.00 176.83 175.88 3hoy h LEU 295 N 0.19 -0.50 -0.53 5.07 5.85 -1.60 -0.76 115.31 123.03 3hoy h LEU 295 Ca 0.28 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.05 3hoy h LEU 295 Cb 0.83 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.88 3hoy h LEU 295 CO -0.05 -0.25 -0.19 0.25 -0.34 0.00 0.00 178.44 177.87 3hoy h LEU 296 N -0.74 -0.68 -2.10 2.25 5.85 -1.13 0.61 115.31 119.38 3hoy h LEU 296 Ca -0.06 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hoy h LEU 296 Cb 0.52 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3hoy h LEU 296 CO 0.10 -0.22 0.05 -0.61 -0.34 0.00 0.00 178.44 177.42 3hoy h GLN 297 N -0.07 0.00 -0.31 1.25 5.75 -1.19 -1.13 115.11 119.41 3hoy h GLN 297 Ca 0.25 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.69 3hoy h GLN 297 Cb 0.45 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 3hoy h GLN 297 CO -0.58 0.00 -0.05 0.35 -2.65 0.00 0.00 178.83 175.90 3hoy h PHE 298 N 0.00 0.64 0.24 3.99 3.57 0.17 -1.83 116.94 123.72 3hoy h PHE 298 Ca 0.03 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3hoy h PHE 298 Cb 0.14 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3hoy h PHE 298 CO 0.00 0.75 -0.11 0.45 -2.23 0.00 0.00 178.31 177.16 3hoy h HIS 299 N 0.36 -0.29 -0.37 0.41 3.86 -0.78 0.14 115.15 118.47 3hoy h HIS 299 Ca 0.08 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.39 3hoy h HIS 299 Cb 0.52 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3hoy h HIS 299 CO 0.05 -0.18 0.60 0.28 0.86 0.00 0.00 177.93 179.54 3hoy h VAL 300 N -0.98 0.17 0.12 2.45 2.07 -1.35 0.70 116.25 119.43 3hoy h VAL 300 Ca -0.03 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 3hoy h VAL 300 Cb 0.24 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3hoy h VAL 300 CO 0.05 0.00 -0.90 0.00 0.02 0.00 0.00 177.57 176.74 3hoy h ALA 301 N 1.14 -0.00 -0.41 1.67 0.00 -1.30 -3.37 119.26 116.99 3hoy h ALA 301 Ca 0.18 -0.80 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 3hoy h ALA 301 Cb 1.39 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 3hoy h ALA 301 CO -0.00 0.47 -0.17 0.00 0.00 0.00 0.00 179.25 179.55 3hoy h THR 302 N -0.44 1.26 -0.28 0.00 1.03 0.23 -2.03 112.91 112.68 3hoy h THR 302 Ca -0.18 -1.25 0.08 0.00 -0.01 0.00 0.00 66.41 65.05 3hoy h THR 302 Cb 1.60 1.13 -0.01 0.00 -1.07 0.00 0.00 68.15 69.80 3hoy h THR 302 CO 0.10 0.42 0.23 0.22 -0.01 0.00 0.00 175.52 176.48 3hoy h TYR 303 N 0.68 0.00 0.00 0.00 3.20 -0.45 -3.28 116.97 117.12 3hoy h TYR 303 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3hoy h TYR 303 Cb 0.66 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3hoy h TYR 303 CO 0.03 0.00 0.00 -1.33 -1.64 0.00 0.00 178.16 175.22 3hoy n MET 304 N -4.21 0.00 -4.34 1.82 2.81 -1.12 -2.28 117.12 109.81 3hoy n MET 304 Ca 0.04 0.09 -0.34 0.00 -1.81 0.00 0.00 57.70 55.68 3hoy n MET 304 Cb 0.38 -0.51 -0.11 0.00 -0.71 0.00 0.00 33.22 32.27 3hoy n MET 304 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hoy s ASP 305 N -3.23 4.99 -0.27 7.83 -1.08 -0.78 -1.70 116.67 122.43 3hoy s ASP 305 Ca 0.00 -0.06 0.16 0.00 -0.52 0.00 0.00 52.55 52.13 3hoy s ASP 305 Cb 0.00 -1.76 0.49 0.00 -1.46 0.00 0.00 42.92 40.19 3hoy s ASP 305 CO 0.00 0.20 1.15 -3.20 0.52 0.00 0.00 175.17 173.84 3hoy n ASN 306 N 3.33 2.97 -2.76 -0.34 5.15 -1.24 -3.69 115.26 118.68 3hoy n ASN 306 Ca -0.17 -2.79 -0.03 0.00 -0.60 0.00 0.00 54.58 50.99 3hoy n ASN 306 Cb 0.53 -0.42 0.05 0.00 -0.53 0.00 0.00 39.78 39.41 3hoy n ASN 306 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3hoy n ASP 307 N -0.63 1.10 -4.85 1.20 8.00 -1.26 -4.92 116.55 115.20 3hoy n ASP 307 Ca 0.23 -2.27 -0.30 0.00 0.71 0.00 0.00 54.79 53.15 3hoy n ASP 307 Cb 0.88 -0.32 0.06 0.00 -0.02 0.00 0.00 41.12 41.72 3hoy n ASP 307 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hoy s ILE 308 N -3.07 3.43 0.10 0.53 1.01 -1.26 -5.03 121.20 116.92 3hoy s ILE 308 Ca 0.25 0.47 -0.28 0.00 0.00 0.00 0.00 60.65 61.09 3hoy s ILE 308 Cb 0.38 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 39.40 3hoy s ILE 308 CO -0.03 -0.61 1.64 0.00 0.00 0.00 0.00 174.94 175.95 3hoy h ALA 309 N -0.81 -0.53 -0.57 9.38 0.00 -2.00 -3.30 119.26 121.43 3hoy h ALA 309 Ca -0.46 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 53.85 3hoy h ALA 309 Cb 1.25 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 3hoy h ALA 309 CO 0.61 -0.83 1.77 0.41 0.00 0.00 0.00 179.25 181.21 3hoy n GLY 310 N -1.38 2.00 0.00 0.00 0.00 -1.26 -4.89 105.19 99.66 3hoy n GLY 310 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3hoy n GLY 310 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hoy n GLN 311 N 8.10 0.00 0.00 1.61 7.27 -1.24 -4.79 117.38 128.33 3hoy n GLN 311 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.54 3hoy n GLN 311 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 3hoy n GLN 311 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3hoy n PRO 312 N -0.98 0.00 0.00 3.69 -0.02 -1.26 -4.60 135.00 131.83 3hoy n PRO 312 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hoy n PRO 312 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hoy n PRO 312 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hoy n GLN 313 N 0.00 0.00 -3.33 -0.52 1.13 -1.26 -4.85 117.38 108.55 3hoy n GLN 313 Ca 0.00 0.08 -0.17 0.00 -1.94 0.00 0.00 57.00 54.97 3hoy n GLN 313 Cb 0.00 -1.51 0.01 0.00 0.11 0.00 0.00 30.24 28.85 3hoy n GLN 313 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hoy n ALA 314 N -1.03 -2.66 -2.25 -1.58 0.00 -1.26 -4.84 120.51 106.90 3hoy n ALA 314 Ca 0.00 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 3hoy n ALA 314 Cb 0.01 -1.86 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 3hoy n ALA 314 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hoy s LEU 315 N -3.72 4.14 0.06 0.00 1.43 -1.26 -4.46 118.68 114.86 3hoy s LEU 315 Ca 0.13 1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 54.16 3hoy s LEU 315 Cb -0.02 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 3hoy s LEU 315 CO 0.82 -0.12 0.66 -1.58 0.23 0.00 0.00 176.35 176.36 3hoy s GLN 316 N -2.79 4.37 -0.68 1.70 0.74 0.28 -4.90 119.66 118.37 3hoy s GLN 316 Ca 0.50 0.88 -0.28 0.00 0.05 0.00 0.00 55.36 56.51 3hoy s GLN 316 Cb -0.11 -3.30 -0.13 0.00 1.10 0.00 0.00 33.01 30.57 3hoy s GLN 316 CO 0.19 0.47 2.51 1.17 -0.55 0.00 0.00 175.29 179.09 3hoy n LYS 317 N 2.21 0.65 0.00 1.67 4.81 -1.26 -0.27 118.16 125.97 3hoy n LYS 317 Ca -0.07 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 3hoy n LYS 317 Cb 0.50 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.91 3hoy n LYS 317 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3hoy n SER 318 N 13.49 0.00 0.00 3.14 3.41 -1.26 -4.92 113.62 127.47 3hoy n SER 318 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3hoy n SER 318 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3hoy n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hoy n GLY 319 N 0.00 1.99 3.66 5.00 0.00 0.63 -4.98 105.19 111.48 3hoy n GLY 319 Ca 0.00 -0.02 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 3hoy n GLY 319 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hoy n ARG 320 N 0.00 2.07 0.14 1.61 0.63 -1.23 -4.54 116.66 115.34 3hoy n ARG 320 Ca 0.00 0.75 0.10 0.00 -0.92 0.00 0.00 57.85 57.78 3hoy n ARG 320 Cb 0.00 -2.51 0.50 0.00 0.45 0.00 0.00 32.46 30.90 3hoy n ARG 320 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hoy n PRO 321 N 3.46 0.13 -1.24 -0.14 -0.02 -1.26 0.99 135.00 136.91 3hoy n PRO 321 Ca 0.17 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3hoy n PRO 321 Cb 0.28 -1.89 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3hoy n PRO 321 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hoy n VAL 322 N -2.15 -3.58 -1.78 -1.45 0.31 -1.26 -4.47 118.33 103.95 3hoy n VAL 322 Ca -0.01 0.40 -0.39 0.00 -0.01 0.00 0.00 64.34 64.33 3hoy n VAL 322 Cb 0.06 -3.47 -0.03 0.00 -0.91 0.00 0.00 33.84 29.49 3hoy n VAL 322 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hoy s LYS 323 N -1.69 2.59 0.80 5.55 3.01 -1.26 -4.94 119.74 123.80 3hoy s LYS 323 Ca -0.01 1.26 -0.13 0.00 -1.01 0.00 0.00 55.97 56.09 3hoy s LYS 323 Cb 0.00 -4.44 0.08 0.00 -1.01 0.00 0.00 37.83 32.46 3hoy s LYS 323 CO 0.02 -2.73 1.20 -1.54 0.51 0.00 0.00 175.35 172.80 3hoy s SER 324 N 9.48 3.66 0.15 2.83 1.04 -1.26 -4.81 113.70 124.79 3hoy s SER 324 Ca 0.86 2.33 -0.16 0.00 0.48 0.00 0.00 55.95 59.46 3hoy s SER 324 Cb -0.19 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.39 3hoy s SER 324 CO 0.27 -2.62 1.78 0.40 0.98 0.00 0.00 173.24 174.05 3hoy h ILE 325 N -0.89 0.98 -0.67 -1.02 2.04 -0.98 -1.50 117.51 115.48 3hoy h ILE 325 Ca -0.46 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 65.41 3hoy h ILE 325 Cb 1.29 0.56 -0.11 0.00 -0.74 0.00 0.00 36.82 37.82 3hoy h ILE 325 CO 0.46 0.07 0.01 -0.09 0.00 0.00 0.00 178.15 178.60 3hoy h ARG 326 N 0.38 0.12 -0.91 2.37 2.43 -1.62 0.21 114.38 117.37 3hoy h ARG 326 Ca 0.16 -0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.57 3hoy h ARG 326 Cb 0.06 -0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.45 3hoy h ARG 326 CO -0.11 0.08 0.35 0.00 -1.51 0.00 0.00 179.97 178.77 3hoy h ALA 327 N 1.61 1.45 -0.01 2.80 0.00 -1.50 0.11 119.26 123.72 3hoy h ALA 327 Ca 0.36 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3hoy h ALA 327 Cb 0.59 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hoy h ALA 327 CO -0.57 -0.45 0.02 0.00 0.00 0.00 0.00 179.25 178.25 3hoy h ARG 328 N 0.29 0.00 0.00 0.00 3.08 -0.41 -3.09 114.38 114.25 3hoy h ARG 328 Ca 0.59 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.63 3hoy h ARG 328 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3hoy h ARG 328 CO -0.61 0.00 -1.85 1.28 -1.07 0.00 0.00 179.97 177.73 3hoy n LEU 329 N -3.88 0.00 -4.67 3.04 4.77 0.36 -2.50 117.00 114.12 3hoy n LEU 329 Ca -0.03 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.44 3hoy n LEU 329 Cb 0.10 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3hoy n LEU 329 CO 0.28 0.01 1.30 0.29 -1.33 0.00 0.00 177.39 177.94 3hoy n LYS 330 N -2.15 1.74 -0.73 3.23 5.02 -0.99 -4.15 118.16 120.12 3hoy n LYS 330 Ca -0.04 0.63 -0.23 0.00 -2.02 0.00 0.00 58.31 56.65 3hoy n LYS 330 Cb 0.50 -2.39 0.01 0.00 -0.02 0.00 0.00 35.03 33.12 3hoy n LYS 330 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hoy n GLY 331 N 3.86 -1.88 1.29 0.72 0.00 -1.26 -3.56 105.19 104.36 3hoy n GLY 331 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3hoy n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hoy n LYS 332 N 0.88 -3.56 -0.26 1.61 3.00 -1.26 -4.24 118.16 114.33 3hoy n LYS 332 Ca 0.05 2.58 0.00 0.00 -0.00 0.00 0.00 58.31 60.94 3hoy n LYS 332 Cb 0.27 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.49 3hoy n LYS 332 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3hoy n GLU 333 N 0.30 0.00 -4.09 1.64 -0.58 -1.26 -4.73 120.64 111.92 3hoy n GLU 333 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 3hoy n GLU 333 Cb 0.00 -4.13 -0.16 0.00 -0.57 0.00 0.00 31.44 26.58 3hoy n GLU 333 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3hoy s GLY 334 N -1.93 1.50 0.00 0.62 0.00 -1.23 -4.73 107.32 101.55 3hoy s GLY 334 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3hoy s GLY 334 CO 0.00 0.46 0.00 -2.13 0.00 0.00 0.00 173.10 171.43 3hoy n ARG 335 N 4.54 0.00 0.00 2.90 3.00 -1.04 -1.48 116.66 124.58 3hoy n ARG 335 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 3hoy n ARG 335 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 3hoy n ARG 335 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3hoy n ILE 336 N 0.00 0.00 0.22 5.15 2.08 -1.26 0.36 119.36 125.91 3hoy n ILE 336 Ca 0.00 1.42 0.10 0.00 0.56 0.00 0.00 62.75 64.83 3hoy n ILE 336 Cb 0.00 -2.18 0.48 0.00 -0.75 0.00 0.00 39.64 37.19 3hoy n ILE 336 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 3hoy h ARG 337 N 0.00 0.00 0.00 0.38 2.43 -1.52 0.09 114.38 115.76 3hoy h ARG 337 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3hoy h ARG 337 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3hoy h ARG 337 CO 0.00 0.22 -1.98 0.41 -1.51 0.00 0.00 179.97 177.11 3hoy n GLY 338 N 0.08 -0.87 0.00 2.80 0.00 -1.13 -3.99 105.19 102.08 3hoy n GLY 338 Ca -0.00 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.65 3hoy n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hoy n ASN 339 N -2.32 1.08 0.01 1.61 3.02 0.16 -4.39 115.26 114.42 3hoy n ASN 339 Ca -0.12 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 3hoy n ASN 339 Cb 0.68 1.10 0.00 0.00 -0.61 0.00 0.00 39.78 40.95 3hoy n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hoy n LEU 340 N -1.34 0.12 0.13 3.41 4.77 -0.67 -4.62 117.00 118.79 3hoy n LEU 340 Ca 0.01 0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 3hoy n LEU 340 Cb 0.15 -0.03 0.49 0.00 -2.33 0.00 0.00 43.42 41.70 3hoy n LEU 340 CO 0.16 -0.17 0.81 0.23 -1.33 0.00 0.00 177.39 177.09 3hoy n MET 341 N -2.99 0.14 -3.62 3.23 2.81 -0.05 -4.68 117.12 111.97 3hoy n MET 341 Ca 0.00 0.52 -0.09 0.00 -1.81 0.00 0.00 57.70 56.31 3hoy n MET 341 Cb 0.36 -1.86 -0.06 0.00 -0.71 0.00 0.00 33.22 30.94 3hoy n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3hoy s GLY 342 N -3.48 -0.18 0.21 3.03 0.00 -1.26 -5.04 107.32 100.61 3hoy s GLY 342 Ca 0.01 2.47 -0.15 0.00 0.00 0.00 0.00 44.72 47.05 3hoy s GLY 342 CO 0.27 1.54 0.47 -1.59 0.00 0.00 0.00 173.10 173.79 3hoy s LYS 343 N -0.28 1.41 0.41 2.90 -2.85 -1.26 -3.27 119.74 116.79 3hoy s LYS 343 Ca 0.01 -1.04 -0.23 0.00 -1.00 0.00 0.00 55.97 53.71 3hoy s LYS 343 Cb -0.03 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 36.13 3hoy s LYS 343 CO -0.04 -0.58 1.02 1.03 0.10 0.00 0.00 175.35 176.88 3hoy s ARG 344 N -3.93 4.15 0.15 1.78 0.52 -1.26 -5.04 118.95 115.31 3hoy s ARG 344 Ca 0.14 1.40 0.03 0.00 -0.52 0.00 0.00 55.73 56.78 3hoy s ARG 344 Cb -0.00 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 3hoy s ARG 344 CO 0.02 -0.13 -0.04 0.14 0.02 0.00 0.00 175.30 175.30 3hoy s VAL 345 N -1.79 0.82 0.86 3.52 -7.23 -1.26 -5.16 120.40 110.16 3hoy s VAL 345 Ca 0.59 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3hoy s VAL 345 Cb -0.19 -1.94 0.18 0.00 0.56 0.00 0.00 36.38 34.99 3hoy s VAL 345 CO 0.23 -0.65 1.18 -1.81 -0.31 0.00 0.00 175.10 173.74 3hoy s ASP 346 N -3.14 3.57 -1.36 4.85 1.01 -1.26 -4.54 116.67 115.79 3hoy s ASP 346 Ca 0.19 -0.19 -0.03 0.00 0.71 0.00 0.00 52.55 53.23 3hoy s ASP 346 Cb 0.05 0.06 -0.00 0.00 1.01 0.00 0.00 42.92 44.04 3hoy s ASP 346 CO 0.01 -2.41 0.48 0.49 0.21 0.00 0.00 175.17 173.95 3hoy n PHE 347 N -3.34 -1.68 -4.19 4.23 3.01 -1.26 -4.90 117.46 109.34 3hoy n PHE 347 Ca 0.17 0.70 -0.11 0.00 1.01 0.00 0.00 57.45 59.21 3hoy n PHE 347 Cb 0.60 -3.71 -0.10 0.00 -0.01 0.00 0.00 39.48 36.26 3hoy n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3hoy s SER 348 N -4.25 1.24 -0.09 4.37 1.04 -1.26 -2.07 113.70 112.68 3hoy s SER 348 Ca 0.07 -1.03 -0.27 0.00 0.48 0.00 0.00 55.95 55.21 3hoy s SER 348 Cb -0.03 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.24 3hoy s SER 348 CO 0.88 -0.46 0.62 0.00 0.98 0.00 0.00 173.24 175.26 3hoy s ALA 349 N -3.59 -1.59 0.01 5.32 0.00 -0.20 -4.97 121.76 116.75 3hoy s ALA 349 Ca 0.14 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.38 3hoy s ALA 349 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3hoy s ALA 349 CO -0.03 -0.34 0.02 0.50 0.00 0.00 0.00 175.76 175.91 3hoy s ARG 350 N -0.84 0.34 -0.24 0.00 3.52 -1.26 0.31 118.95 120.77 3hoy s ARG 350 Ca -0.09 -0.51 -0.37 0.00 -0.13 0.00 0.00 55.73 54.64 3hoy s ARG 350 Cb -0.02 0.13 0.15 0.00 -1.56 0.00 0.00 34.95 33.65 3hoy s ARG 350 CO 0.07 -0.06 1.29 -0.08 -0.81 0.00 0.00 175.30 175.71 3hoy s THR 351 N -1.33 0.00 0.24 4.11 -1.32 -1.09 -4.97 115.64 111.28 3hoy s THR 351 Ca -0.15 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.03 3hoy s THR 351 Cb -0.09 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.76 3hoy s THR 351 CO -0.00 0.00 1.11 0.52 -2.21 0.00 0.00 174.62 174.04 3hoy n VAL 352 N -0.03 1.44 -3.75 5.08 0.31 -1.26 -2.54 118.33 117.58 3hoy n VAL 352 Ca 0.03 -0.36 -0.20 0.00 -0.01 0.00 0.00 64.34 63.79 3hoy n VAL 352 Cb 0.57 -0.98 -0.02 0.00 -0.91 0.00 0.00 33.84 32.49 3hoy n VAL 352 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3hoy s ILE 353 N -0.60 3.98 -0.27 2.52 -4.36 -0.88 -1.80 121.20 119.79 3hoy s ILE 353 Ca 0.65 -1.22 -0.22 0.00 -0.26 0.00 0.00 60.65 59.61 3hoy s ILE 353 Cb -0.76 -3.35 0.07 0.00 1.25 0.00 0.00 42.46 39.68 3hoy s ILE 353 CO 0.56 -0.20 0.69 -0.94 0.24 0.00 0.00 174.94 175.29 3hoy s SER 354 N -4.03 -0.80 0.65 4.36 1.04 -0.77 -4.79 113.70 109.36 3hoy s SER 354 Ca 0.41 1.44 -0.16 0.00 0.48 0.00 0.00 55.95 58.11 3hoy s SER 354 Cb -0.08 1.41 -0.01 0.00 0.10 0.00 0.00 66.02 67.45 3hoy s SER 354 CO 0.28 -0.24 1.15 -0.83 0.98 0.00 0.00 173.24 174.58 3hoy s GLY 355 N 0.78 2.37 -0.16 7.32 0.00 -1.26 -2.52 107.32 113.86 3hoy s GLY 355 Ca -0.03 0.75 -0.04 0.00 0.00 0.00 0.00 44.72 45.39 3hoy s GLY 355 CO -0.06 1.12 0.25 -0.35 0.00 0.00 0.00 173.10 174.06 3hoy s ASP 356 N -2.15 0.67 -0.01 1.64 -1.08 -1.03 -4.81 116.67 109.90 3hoy s ASP 356 Ca 0.71 0.31 0.01 0.00 -0.52 0.00 0.00 52.55 53.06 3hoy s ASP 356 Cb -0.25 0.62 0.04 0.00 -1.46 0.00 0.00 42.92 41.86 3hoy s ASP 356 CO 0.38 -0.27 0.64 -0.81 0.52 0.00 0.00 175.17 175.64 3hoy n PRO 357 N 5.34 1.16 -0.10 4.34 -0.04 -1.26 -3.45 135.00 140.98 3hoy n PRO 357 Ca -0.06 -0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 3hoy n PRO 357 Cb 0.50 -1.44 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 3hoy n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hoy n ASN 358 N -0.05 1.70 -4.52 3.54 3.02 -1.26 -4.77 115.26 112.92 3hoy n ASN 358 Ca 0.01 -2.43 -0.33 0.00 -0.03 0.00 0.00 54.58 51.80 3hoy n ASN 358 Cb 0.24 -0.23 -0.12 0.00 -0.61 0.00 0.00 39.78 39.06 3hoy n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hoy s LEU 359 N -1.66 3.03 1.02 3.41 1.43 -1.22 -5.10 118.68 119.58 3hoy s LEU 359 Ca 0.15 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 3hoy s LEU 359 Cb 0.13 -1.66 0.16 0.00 0.03 0.00 0.00 46.19 44.85 3hoy s LEU 359 CO 0.01 0.31 0.81 -0.62 0.23 0.00 0.00 176.35 177.09 3hoy n GLU 360 N 2.58 -1.09 -0.20 1.70 -0.58 -1.26 -4.67 120.64 117.12 3hoy n GLU 360 Ca -0.18 -0.27 -0.00 0.00 -0.42 0.00 0.00 57.16 56.29 3hoy n GLU 360 Cb 0.53 -2.13 0.10 0.00 -0.57 0.00 0.00 31.44 29.37 3hoy n GLU 360 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3hoy h LEU 361 N -2.06 0.17 -1.66 -4.62 5.85 -1.97 -2.86 115.31 108.16 3hoy h LEU 361 Ca -0.49 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hoy h LEU 361 Cb 1.30 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3hoy h LEU 361 CO 0.41 0.11 0.00 -0.90 -0.34 0.00 0.00 178.44 177.72 3hoy n ASP 362 N -5.03 2.41 -4.57 1.25 5.68 -1.26 -4.63 116.55 110.40 3hoy n ASP 362 Ca 0.08 -2.22 -0.17 0.00 -0.50 0.00 0.00 54.79 51.98 3hoy n ASP 362 Cb 0.28 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 39.90 3hoy n ASP 362 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hoy n GLN 363 N 0.33 0.66 -3.25 0.11 6.02 -1.08 -0.20 117.38 119.98 3hoy n GLN 363 Ca 0.11 -2.77 0.03 0.00 -0.01 0.00 0.00 57.00 54.37 3hoy n GLN 363 Cb 0.48 -0.17 -0.02 0.00 1.02 0.00 0.00 30.24 31.56 3hoy n GLN 363 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hoy s VAL 364 N -2.18 -0.99 0.08 5.09 0.11 -0.65 -4.58 120.40 117.28 3hoy s VAL 364 Ca 0.51 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.25 3hoy s VAL 364 Cb -0.04 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.72 3hoy s VAL 364 CO 0.32 0.00 1.63 -0.83 -3.33 0.00 0.00 175.10 172.89 3hoy s GLY 365 N 2.87 1.57 -0.16 6.54 0.00 0.22 -2.75 107.32 115.61 3hoy s GLY 365 Ca 0.16 1.22 0.01 0.00 0.00 0.00 0.00 44.72 46.10 3hoy s GLY 365 CO -0.21 2.83 -0.17 0.14 0.00 0.00 0.00 173.10 175.69 3hoy s VAL 366 N 2.39 2.42 0.14 1.40 1.01 0.16 -1.19 120.40 126.73 3hoy s VAL 366 Ca 0.73 -0.84 -0.33 0.00 0.00 0.00 0.00 61.98 61.53 3hoy s VAL 366 Cb -0.40 -2.01 -0.13 0.00 0.00 0.00 0.00 36.38 33.84 3hoy s VAL 366 CO 0.32 0.52 1.66 -0.81 0.00 0.00 0.00 175.10 176.80 3hoy n PRO 367 N 4.22 2.33 -0.27 2.72 -0.04 -1.25 0.01 135.00 142.71 3hoy n PRO 367 Ca -0.20 0.84 0.05 0.00 -0.04 0.00 0.00 63.50 64.15 3hoy n PRO 367 Cb 0.51 -2.65 0.14 0.00 -0.04 0.00 0.00 33.50 31.47 3hoy n PRO 367 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3hoy h LYS 368 N 6.71 0.05 -0.93 0.54 3.64 -1.33 0.78 116.57 126.02 3hoy h LYS 368 Ca -0.45 -0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.17 3hoy h LYS 368 Cb 1.24 -0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.88 3hoy h LYS 368 CO 0.91 0.03 0.01 1.03 -2.27 0.00 0.00 179.45 179.16 3hoy h SER 369 N 0.05 -0.47 0.34 4.20 0.87 -1.90 0.27 113.55 116.91 3hoy h SER 369 Ca 0.41 0.26 -0.22 0.00 -1.23 0.00 0.00 61.79 61.02 3hoy h SER 369 Cb 0.71 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3hoy h SER 369 CO -0.75 -0.30 -0.90 0.40 -0.53 0.00 0.00 176.83 174.74 3hoy h ILE 370 N 0.04 1.40 0.00 2.23 2.04 -1.24 -3.17 117.51 118.81 3hoy h ILE 370 Ca 0.55 -2.41 -0.06 0.00 1.00 0.00 0.00 64.86 63.94 3hoy h ILE 370 Cb 1.07 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3hoy h ILE 370 CO -0.86 0.72 -0.26 0.00 0.00 0.00 0.00 178.15 177.74 3hoy h ALA 371 N 0.78 1.27 -0.00 1.87 0.00 0.24 -1.95 119.26 121.47 3hoy h ALA 371 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hoy h ALA 371 Cb 1.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3hoy h ALA 371 CO 0.16 0.33 -0.02 1.63 0.00 0.00 0.00 179.25 181.34 3hoy n LYS 372 N -3.80 0.84 -0.08 0.00 5.02 0.43 -2.64 118.16 117.93 3hoy n LYS 372 Ca -0.01 -0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 55.99 3hoy n LYS 372 Cb 0.36 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3hoy n LYS 372 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3hoy n THR 373 N -0.97 1.03 -2.31 -0.18 -1.04 -0.80 -4.97 114.28 105.04 3hoy n THR 373 Ca 0.19 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.64 3hoy n THR 373 Cb 0.20 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 3hoy n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hoy s LEU 374 N -7.05 4.45 0.43 -4.42 1.43 -0.82 -5.00 118.68 107.70 3hoy s LEU 374 Ca -0.23 2.33 0.03 0.00 -1.03 0.00 0.00 54.13 55.24 3hoy s LEU 374 Cb 0.08 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3hoy s LEU 374 CO 0.29 -0.41 0.09 0.42 0.23 0.00 0.00 176.35 176.98 3hoy s THR 375 N -0.25 0.83 -0.05 5.49 -4.23 -1.26 -2.23 115.64 113.94 3hoy s THR 375 Ca 0.52 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3hoy s THR 375 Cb -0.34 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.18 3hoy s THR 375 CO 0.39 0.00 0.09 -0.47 -0.54 0.00 0.00 174.62 174.09 3hoy s TYR 376 N -3.12 -0.07 -0.84 3.99 5.04 0.58 -4.83 117.35 118.11 3hoy s TYR 376 Ca 0.20 0.33 -0.25 0.00 -2.44 0.00 0.00 57.07 54.92 3hoy s TYR 376 Cb 0.03 -0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.19 3hoy s TYR 376 CO 0.12 -0.15 1.30 -1.25 -1.34 0.00 0.00 175.55 174.23 3hoy s PRO 377 N 1.30 3.34 0.15 4.97 0.04 -1.26 -1.65 135.00 141.89 3hoy s PRO 377 Ca -0.07 -0.68 -0.11 0.00 0.04 0.00 0.00 61.00 60.18 3hoy s PRO 377 Cb -0.12 -4.63 -0.07 0.00 0.04 0.00 0.00 34.50 29.72 3hoy s PRO 377 CO -0.04 -2.12 0.50 -2.00 0.04 0.00 0.00 177.00 173.38 3hoy s GLU 378 N 5.17 3.86 -0.18 4.56 2.12 -0.83 -4.89 118.70 128.50 3hoy s GLU 378 Ca 0.37 0.33 -0.07 0.00 0.36 0.00 0.00 54.97 55.96 3hoy s GLU 378 Cb -0.06 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 3hoy s GLU 378 CO 0.05 0.46 0.06 0.08 -0.54 0.00 0.00 175.26 175.37 3hoy s VAL 379 N -1.55 4.80 -0.60 3.70 1.01 -1.26 -1.27 120.40 125.23 3hoy s VAL 379 Ca 0.39 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 3hoy s VAL 379 Cb -0.14 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 3hoy s VAL 379 CO 0.20 0.47 2.47 0.52 0.00 0.00 0.00 175.10 178.75 3hoy n VAL 380 N 3.49 -0.02 -4.35 2.92 0.31 0.17 -4.87 118.33 115.97 3hoy n VAL 380 Ca -0.17 -0.53 -0.29 0.00 -0.01 0.00 0.00 64.34 63.35 3hoy n VAL 380 Cb 0.52 -2.08 -0.12 0.00 -0.91 0.00 0.00 33.84 31.25 3hoy n VAL 380 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hoy s THR 381 N 10.81 2.60 0.59 2.52 -1.32 -1.26 -1.32 115.64 128.26 3hoy s THR 381 Ca 1.09 -1.68 0.29 0.00 -1.21 0.00 0.00 61.69 60.18 3hoy s THR 381 Cb -0.53 -2.19 0.37 0.00 -1.51 0.00 0.00 72.50 68.64 3hoy s THR 381 CO 0.35 0.05 1.96 1.55 -2.21 0.00 0.00 174.62 176.32 3hoy h PRO 382 N 3.65 0.00 0.00 7.08 0.13 -2.00 0.51 132.00 141.36 3hoy h PRO 382 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3hoy h PRO 382 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hoy h PRO 382 CO 0.44 0.00 0.00 1.88 -0.23 0.00 0.00 178.00 180.09 3hoy h TYR 383 N 0.00 0.00 0.00 1.56 0.99 -1.96 -3.31 116.97 114.26 3hoy h TYR 383 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3hoy h TYR 383 Cb 0.92 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.65 3hoy h TYR 383 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 3hoy n ASN 384 N -2.69 0.00 -0.35 3.88 0.23 0.16 -4.90 115.26 111.59 3hoy n ASN 384 Ca -0.01 -1.00 0.04 0.00 -0.53 0.00 0.00 54.58 53.07 3hoy n ASN 384 Cb 0.10 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.91 3hoy n ASN 384 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3hoy h ILE 385 N 1.20 0.03 0.52 1.53 1.08 -1.06 0.25 117.51 121.06 3hoy h ILE 385 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3hoy h ILE 385 Cb 0.55 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 3hoy h ILE 385 CO 0.00 0.00 -0.43 0.44 -0.69 0.00 0.00 178.15 177.47 3hoy h ASP 386 N -0.00 -1.14 0.20 1.72 3.32 -1.87 -0.39 116.42 118.25 3hoy h ASP 386 Ca 0.43 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.58 3hoy h ASP 386 Cb 0.68 0.36 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 3hoy h ASP 386 CO -0.99 -0.61 -0.53 -0.09 -1.72 0.00 0.00 179.24 175.31 3hoy h ARG 387 N -0.93 -0.78 -1.00 3.56 2.43 -1.48 -1.97 114.38 114.20 3hoy h ARG 387 Ca -0.06 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.38 3hoy h ARG 387 Cb 0.80 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.42 3hoy h ARG 387 CO -0.01 -0.52 0.61 -0.07 -1.51 0.00 0.00 179.97 178.47 3hoy h LEU 388 N -0.81 0.71 -1.11 3.80 3.38 -0.95 0.35 115.31 120.69 3hoy h LEU 388 Ca -0.02 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3hoy h LEU 388 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3hoy h LEU 388 CO -0.25 0.21 0.03 0.74 0.09 0.00 0.00 178.44 179.27 3hoy h THR 389 N 0.67 1.21 -0.18 0.22 2.02 -0.48 -0.56 112.91 115.80 3hoy h THR 389 Ca 0.59 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3hoy h THR 389 Cb 1.04 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3hoy h THR 389 CO -0.39 0.30 0.05 -0.61 0.37 0.00 0.00 175.52 175.24 3hoy h GLN 390 N 0.62 0.29 -0.83 6.66 5.75 0.38 -1.32 115.11 126.67 3hoy h GLN 390 Ca 0.13 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3hoy h GLN 390 Cb 0.35 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 3hoy h GLN 390 CO 0.01 0.41 0.43 -0.07 -2.65 0.00 0.00 178.83 176.96 3hoy h LEU 391 N 0.12 1.06 -0.31 -2.39 3.38 -0.83 0.74 115.31 117.09 3hoy h LEU 391 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hoy h LEU 391 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hoy h LEU 391 CO -0.00 0.88 0.11 0.58 0.09 0.00 0.00 178.44 180.09 3hoy h VAL 392 N 1.17 1.19 -0.06 1.22 2.07 -0.88 -2.38 116.25 118.59 3hoy h VAL 392 Ca 0.29 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3hoy h VAL 392 Cb 0.07 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3hoy h VAL 392 CO -0.04 0.21 0.03 0.03 0.02 0.00 0.00 177.57 177.82 3hoy h ARG 393 N 0.34 0.06 -1.06 1.57 2.47 -1.03 -0.83 114.38 115.90 3hoy h ARG 393 Ca 0.10 -0.00 0.31 0.00 -1.26 0.00 0.00 59.98 59.12 3hoy h ARG 393 Cb 0.22 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.49 3hoy h ARG 393 CO -0.00 0.04 1.16 -0.97 0.56 0.00 0.00 179.97 180.75 3hoy h ASN 394 N 0.07 0.00 -4.29 7.04 -0.73 -0.36 -3.47 115.58 113.84 3hoy h ASN 394 Ca 0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3hoy h ASN 394 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 3hoy h ASN 394 CO -0.01 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.66 3hoy n GLY 395 N -1.72 -0.78 1.03 1.57 0.00 -0.32 -4.17 105.19 100.81 3hoy n GLY 395 Ca 0.24 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.67 3hoy n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hoy n PRO 396 N -0.72 2.38 -0.01 1.61 -0.04 -1.09 -1.90 135.00 135.24 3hoy n PRO 396 Ca 0.00 -2.06 0.02 0.00 -0.04 0.00 0.00 63.50 61.43 3hoy n PRO 396 Cb 0.00 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 3hoy n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hoy n ASN 397 N 1.36 2.95 -4.85 3.54 3.02 -1.26 -4.91 115.26 115.10 3hoy n ASN 397 Ca 0.17 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.43 3hoy n ASN 397 Cb 0.59 1.22 0.09 0.00 -0.61 0.00 0.00 39.78 41.07 3hoy n ASN 397 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hoy s GLU 398 N -2.51 1.97 0.00 3.52 2.02 -1.26 -5.05 118.70 117.40 3hoy s GLU 398 Ca -0.04 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.28 3hoy s GLU 398 Cb 0.05 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.35 3hoy s GLU 398 CO 0.36 -1.63 0.00 1.58 0.02 0.00 0.00 175.26 175.59 3hoy n HIS 399 N -3.38 0.00 -0.91 1.61 -0.00 -1.26 -4.36 115.22 106.92 3hoy n HIS 399 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.72 3hoy n HIS 399 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.50 3hoy n HIS 399 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3hoy n PRO 400 N 0.00 0.00 -0.44 1.57 -0.02 -1.26 -4.55 135.00 130.30 3hoy n PRO 400 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hoy n PRO 400 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3hoy n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hoy n GLY 401 N 3.66 3.05 3.40 -1.23 0.00 -1.26 -4.72 105.19 108.09 3hoy n GLY 401 Ca 0.23 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 3hoy n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoy s ALA 402 N -1.19 0.16 -0.03 4.61 0.00 -0.80 -1.33 121.76 123.17 3hoy s ALA 402 Ca 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.97 3hoy s ALA 402 Cb 0.00 1.04 0.09 0.00 0.00 0.00 0.00 23.12 24.26 3hoy s ALA 402 CO 0.00 -0.71 1.05 0.36 0.00 0.00 0.00 175.76 176.46 3hoy n LYS 403 N -0.29 0.31 -3.64 0.00 2.85 -0.55 -2.65 118.16 114.18 3hoy n LYS 403 Ca -0.03 -1.44 -0.04 0.00 -1.05 0.00 0.00 58.31 55.75 3hoy n LYS 403 Cb 0.63 -0.71 -0.07 0.00 -0.65 0.00 0.00 35.03 34.24 3hoy n LYS 403 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3hoy s TYR 404 N -0.68 -0.53 -0.07 5.58 1.51 -1.19 -3.77 117.35 118.19 3hoy s TYR 404 Ca 0.10 1.11 0.05 0.00 -1.01 0.00 0.00 57.07 57.32 3hoy s TYR 404 Cb 0.09 0.35 -0.01 0.00 -0.11 0.00 0.00 41.96 42.29 3hoy s TYR 404 CO -0.00 -0.26 -0.23 0.08 -1.11 0.00 0.00 175.55 174.02 3hoy s VAL 405 N 1.00 1.94 -0.17 0.71 1.01 -0.89 0.12 120.40 124.12 3hoy s VAL 405 Ca -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3hoy s VAL 405 Cb -0.04 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.72 3hoy s VAL 405 CO -0.13 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 3hoy s ILE 406 N 0.06 1.52 0.48 2.22 1.01 0.13 -0.01 121.20 126.61 3hoy s ILE 406 Ca -0.09 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3hoy s ILE 406 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3hoy s ILE 406 CO 0.05 0.26 0.80 -0.13 0.00 0.00 0.00 174.94 175.92 3hoy s ARG 407 N 1.47 3.57 0.31 2.79 3.00 -1.22 -0.94 118.95 127.93 3hoy s ARG 407 Ca 0.01 0.26 0.04 0.00 0.00 0.00 0.00 55.73 56.04 3hoy s ARG 407 Cb -0.15 -2.36 0.82 0.00 0.00 0.00 0.00 34.95 33.26 3hoy s ARG 407 CO -0.09 -0.21 1.59 0.38 0.00 0.00 0.00 175.30 176.96 3hoy h ASP 408 N 0.28 -0.29 -0.22 0.23 3.04 -1.93 -2.99 116.42 114.55 3hoy h ASP 408 Ca -0.47 0.26 -0.42 0.00 -3.24 0.00 0.00 57.03 53.16 3hoy h ASP 408 Cb 1.20 0.42 0.02 0.00 -1.04 0.00 0.00 39.33 39.92 3hoy h ASP 408 CO 0.62 -0.33 1.36 -1.54 -2.04 0.00 0.00 179.24 177.31 3hoy n SER 409 N -5.41 2.45 0.00 4.15 3.41 -1.26 -4.78 113.62 112.18 3hoy n SER 409 Ca 0.25 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 3hoy n SER 409 Cb 0.81 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3hoy n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hoy n GLY 410 N 5.34 0.00 3.52 5.00 0.00 -1.13 -4.82 105.19 113.11 3hoy n GLY 410 Ca 0.46 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.51 3hoy n GLY 410 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hoy s ASP 411 N 0.00 -0.03 -0.21 1.61 2.15 -1.26 -5.05 116.67 113.88 3hoy s ASP 411 Ca 0.00 0.04 -0.07 0.00 0.43 0.00 0.00 52.55 52.95 3hoy s ASP 411 Cb 0.00 1.02 -0.04 0.00 -0.30 0.00 0.00 42.92 43.60 3hoy s ASP 411 CO 0.00 -0.01 0.07 0.00 -0.17 0.00 0.00 175.17 175.06 3hoy s ARG 412 N 1.28 3.88 -0.25 4.34 1.70 -1.26 -3.40 118.95 125.23 3hoy s ARG 412 Ca -0.06 -0.38 -0.28 0.00 -0.47 0.00 0.00 55.73 54.54 3hoy s ARG 412 Cb -0.02 -3.26 0.01 0.00 -0.57 0.00 0.00 34.95 31.11 3hoy s ARG 412 CO -0.11 0.12 1.01 0.42 -1.08 0.00 0.00 175.30 175.66 3hoy s ILE 413 N 0.80 4.67 -0.84 4.99 1.01 0.99 -4.93 121.20 127.88 3hoy s ILE 413 Ca 0.04 1.89 -0.22 0.00 0.00 0.00 0.00 60.65 62.35 3hoy s ILE 413 Cb -0.13 -4.30 0.08 0.00 0.01 0.00 0.00 42.46 38.11 3hoy s ILE 413 CO 0.02 -0.23 1.18 -0.62 0.00 0.00 0.00 174.94 175.29 3hoy s ASP 414 N 1.32 6.39 0.00 3.58 -1.08 -1.26 -2.09 116.67 123.54 3hoy s ASP 414 Ca 0.43 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3hoy s ASP 414 Cb -0.14 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 3hoy s ASP 414 CO 0.08 -1.40 0.53 0.18 0.52 0.00 0.00 175.17 175.08 3hoy n LEU 415 N 7.89 0.00 -1.14 -1.34 4.77 -1.25 -0.38 117.00 125.56 3hoy n LEU 415 Ca 0.14 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.33 3hoy n LEU 415 Cb 0.48 -0.12 0.28 0.00 -2.33 0.00 0.00 43.42 41.73 3hoy n LEU 415 CO 0.61 -0.12 0.74 -2.11 -1.33 0.00 0.00 177.39 175.18 3hoy n ARG 416 N -1.03 3.33 0.00 3.23 1.85 -1.26 -4.68 116.66 118.10 3hoy n ARG 416 Ca 0.00 -2.67 0.00 0.00 -1.00 0.00 0.00 57.85 54.18 3hoy n ARG 416 Cb 0.23 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 3hoy n ARG 416 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3hoy n TYR 417 N 0.42 -0.77 -1.34 2.89 4.02 0.49 -5.08 117.16 117.80 3hoy n TYR 417 Ca 0.21 0.00 -0.55 0.00 -0.01 0.00 0.00 57.90 57.55 3hoy n TYR 417 Cb 0.79 0.28 -0.09 0.00 -0.02 0.00 0.00 39.34 40.30 3hoy n TYR 417 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hoy n SER 418 N -2.06 0.90 0.00 7.72 2.88 -0.68 -4.58 113.62 117.79 3hoy n SER 418 Ca 0.00 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 3hoy n SER 418 Cb 0.00 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3hoy n SER 418 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3hoy n LYS 419 N 4.17 0.00 -0.30 -1.46 2.85 -1.26 -0.83 118.16 121.33 3hoy n LYS 419 Ca 0.32 0.11 0.08 0.00 -1.05 0.00 0.00 58.31 57.76 3hoy n LYS 419 Cb -0.05 -1.55 0.17 0.00 -0.65 0.00 0.00 35.03 32.95 3hoy n LYS 419 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hoy n ARG 420 N -0.99 1.45 -0.30 -1.58 1.74 -1.26 -4.76 116.66 110.96 3hoy n ARG 420 Ca 0.00 -2.89 -0.02 0.00 -0.77 0.00 0.00 57.85 54.17 3hoy n ARG 420 Cb 0.05 -1.56 0.10 0.00 -1.02 0.00 0.00 32.46 30.03 3hoy n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hoy h ALA 421 N 0.46 1.08 0.00 7.54 0.00 -1.30 0.08 119.26 127.12 3hoy h ALA 421 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hoy h ALA 421 Cb 1.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hoy h ALA 421 CO 0.01 0.39 -0.05 0.78 0.00 0.00 0.00 179.25 180.38 3hoy h GLY 422 N 1.06 0.00 0.00 0.00 0.00 -1.85 -3.42 103.07 98.86 3hoy h GLY 422 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3hoy h GLY 422 CO -0.10 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.78 3hoy n ASP 423 N -3.20 0.00 -1.35 0.19 -0.08 0.00 -4.93 116.55 107.18 3hoy n ASP 423 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hoy n ASP 423 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 3hoy n ASP 423 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3hoy n ILE 424 N 0.00 -7.43 -3.91 5.18 5.41 -1.14 -4.90 119.36 112.57 3hoy n ILE 424 Ca 0.00 1.58 -0.35 0.00 1.00 0.00 0.00 62.75 64.98 3hoy n ILE 424 Cb 0.00 -3.90 -0.14 0.00 -0.71 0.00 0.00 39.64 34.89 3hoy n ILE 424 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3hoy s GLN 425 N -1.74 2.27 1.06 0.38 -1.52 -1.26 -5.05 119.66 113.80 3hoy s GLN 425 Ca 0.00 -1.41 -0.16 0.00 -1.95 0.00 0.00 55.36 51.84 3hoy s GLN 425 Cb 0.00 -3.23 0.16 0.00 -0.22 0.00 0.00 33.01 29.72 3hoy s GLN 425 CO 0.00 -0.72 0.23 1.28 -0.25 0.00 0.00 175.29 175.83 3hoy n LEU 426 N 4.58 -1.56 -3.69 2.90 4.77 -1.26 -5.04 117.00 117.70 3hoy n LEU 426 Ca -0.10 -0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 55.42 3hoy n LEU 426 Cb 0.43 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 3hoy n LEU 426 CO 0.27 -3.26 -0.02 -1.10 -1.33 0.00 0.00 177.39 171.95 3hoy s GLN 427 N -3.51 0.30 0.43 3.23 -1.52 -1.26 -5.09 119.66 112.25 3hoy s GLN 427 Ca 0.42 0.76 -0.22 0.00 -1.95 0.00 0.00 55.36 54.37 3hoy s GLN 427 Cb -0.07 0.00 -0.13 0.00 -0.22 0.00 0.00 33.01 32.60 3hoy s GLN 427 CO 0.43 -0.19 0.51 0.66 -0.25 0.00 0.00 175.29 176.45 3hoy n TYR 428 N 4.56 -0.63 -0.63 0.91 4.02 -1.26 -0.04 117.16 124.09 3hoy n TYR 428 Ca -0.20 0.59 0.00 0.00 -0.01 0.00 0.00 57.90 58.29 3hoy n TYR 428 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 39.34 37.88 3hoy n TYR 428 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hoy n GLY 429 N 1.83 1.56 3.94 2.72 0.00 -0.44 -4.96 105.19 109.83 3hoy n GLY 429 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3hoy n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hoy s TRP 430 N -3.56 3.19 -0.10 1.61 0.52 0.95 -4.55 118.94 117.00 3hoy s TRP 430 Ca 0.00 0.41 0.03 0.00 0.02 0.00 0.00 56.10 56.56 3hoy s TRP 430 Cb 0.00 -2.59 0.01 0.00 -1.15 0.00 0.00 33.47 29.73 3hoy s TRP 430 CO 0.00 -0.67 -0.20 0.21 0.02 0.00 0.00 176.95 176.31 3hoy s LYS 431 N -4.81 2.64 -0.25 4.98 2.20 -0.12 0.44 119.74 124.82 3hoy s LYS 431 Ca 0.52 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 3hoy s LYS 431 Cb -0.10 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 3hoy s LYS 431 CO 0.42 0.10 -0.01 0.08 -0.36 0.00 0.00 175.35 175.58 3hoy s VAL 432 N 0.52 3.43 -0.66 4.02 1.01 -0.39 0.22 120.40 128.55 3hoy s VAL 432 Ca -0.16 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 3hoy s VAL 432 Cb -0.17 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.60 3hoy s VAL 432 CO 0.06 0.29 1.07 -1.61 0.00 0.00 0.00 175.10 174.91 3hoy s GLU 433 N 1.45 3.20 0.43 2.72 2.02 0.12 -1.97 118.70 126.68 3hoy s GLU 433 Ca 0.04 -0.48 0.08 0.00 0.02 0.00 0.00 54.97 54.63 3hoy s GLU 433 Cb -0.15 -4.17 0.01 0.00 0.10 0.00 0.00 34.13 29.92 3hoy s GLU 433 CO -0.02 -1.86 0.57 -0.98 0.02 0.00 0.00 175.26 172.99 3hoy s ARG 434 N 4.63 2.75 0.64 1.61 1.70 -0.66 -1.49 118.95 128.13 3hoy s ARG 434 Ca 0.29 -1.31 -0.15 0.00 -0.47 0.00 0.00 55.73 54.09 3hoy s ARG 434 Cb -0.13 -2.70 -0.01 0.00 -0.57 0.00 0.00 34.95 31.54 3hoy s ARG 434 CO 0.14 -0.32 1.08 -1.01 -1.08 0.00 0.00 175.30 174.11 3hoy s HIS 435 N -2.40 2.84 0.15 5.89 3.76 -0.45 -0.31 115.29 124.78 3hoy s HIS 435 Ca 0.55 1.52 -0.31 0.00 -0.15 0.00 0.00 55.06 56.66 3hoy s HIS 435 Cb -0.09 -3.05 -0.10 0.00 1.11 0.00 0.00 32.58 30.45 3hoy s HIS 435 CO 0.33 -1.38 1.59 0.42 -0.85 0.00 0.00 174.74 174.85 3hoy s ILE 436 N -2.51 2.68 0.34 0.60 -1.09 -0.95 -4.67 121.20 115.60 3hoy s ILE 436 Ca 0.64 0.44 0.09 0.00 -2.23 0.00 0.00 60.65 59.59 3hoy s ILE 436 Cb -0.17 -3.28 -0.06 0.00 -1.58 0.00 0.00 42.46 37.37 3hoy s ILE 436 CO 0.42 0.03 -0.03 -0.04 -1.23 0.00 0.00 174.94 174.09 3hoy s MET 437 N 1.44 1.99 0.12 2.79 -1.94 -1.26 -4.85 119.30 117.59 3hoy s MET 437 Ca 0.71 -1.80 -0.35 0.00 -1.71 0.00 0.00 55.69 52.54 3hoy s MET 437 Cb -0.43 -1.86 -0.16 0.00 2.01 0.00 0.00 34.83 34.38 3hoy s MET 437 CO 0.31 0.15 1.25 -0.25 -0.01 0.00 0.00 175.02 176.48 3hoy n ASP 438 N -0.89 1.44 0.00 3.03 8.00 -1.26 -1.61 116.55 125.26 3hoy n ASP 438 Ca -0.04 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.58 3hoy n ASP 438 Cb 0.63 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3hoy n ASP 438 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hoy n ASN 439 N 2.28 -0.04 -4.71 -2.24 3.02 0.31 -4.84 115.26 109.03 3hoy n ASN 439 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 3hoy n ASN 439 Cb 0.21 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 3hoy n ASN 439 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hoy s ASP 440 N -2.98 6.64 0.21 6.41 1.01 -0.63 -4.41 116.67 122.92 3hoy s ASP 440 Ca 0.00 2.51 -0.30 0.00 0.71 0.00 0.00 52.55 55.47 3hoy s ASP 440 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 3hoy s ASP 440 CO 0.00 -0.81 1.26 -2.16 0.21 0.00 0.00 175.17 173.67 3hoy s PRO 441 N 1.60 4.43 0.07 8.23 0.04 -1.26 -2.39 135.00 145.72 3hoy s PRO 441 Ca 0.70 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.75 3hoy s PRO 441 Cb -0.41 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 3hoy s PRO 441 CO 0.31 -0.16 -0.07 0.14 0.04 0.00 0.00 177.00 177.26 3hoy s VAL 442 N -0.15 0.59 -0.21 -0.36 -7.23 -0.15 -4.43 120.40 108.46 3hoy s VAL 442 Ca 0.54 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.97 3hoy s VAL 442 Cb -0.35 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3hoy s VAL 442 CO 0.39 -0.66 0.59 -0.22 -0.31 0.00 0.00 175.10 174.89 3hoy s LEU 443 N -2.37 4.12 -0.06 1.32 0.20 -0.04 -0.48 118.68 121.38 3hoy s LEU 443 Ca 0.02 0.75 0.03 0.00 0.69 0.00 0.00 54.13 55.62 3hoy s LEU 443 Cb -0.01 -2.82 -0.03 0.00 -0.43 0.00 0.00 46.19 42.90 3hoy s LEU 443 CO -0.03 -0.27 -0.14 0.12 -0.29 0.00 0.00 176.35 175.75 3hoy s PHE 444 N 1.96 2.72 -0.11 5.38 5.36 0.41 -0.76 117.98 132.95 3hoy s PHE 444 Ca 0.27 -0.19 -0.24 0.00 -0.96 0.00 0.00 56.93 55.81 3hoy s PHE 444 Cb -0.16 -1.65 0.06 0.00 -0.34 0.00 0.00 43.02 40.93 3hoy s PHE 444 CO 0.10 0.16 0.57 1.21 -1.46 0.00 0.00 175.22 175.80 3hoy s ASN 445 N -0.65 -0.55 -0.08 6.13 3.84 -0.16 -1.87 114.94 121.60 3hoy s ASN 445 Ca 0.10 0.77 0.04 0.00 0.21 0.00 0.00 52.86 53.98 3hoy s ASN 445 Cb -0.11 0.75 0.00 0.00 -0.55 0.00 0.00 41.25 41.34 3hoy s ASN 445 CO 0.01 -0.42 -0.20 -0.60 -2.79 0.00 0.00 177.10 173.09 3hoy s ARG 446 N -0.65 2.51 0.22 0.43 3.52 -1.08 -1.33 118.95 122.56 3hoy s ARG 446 Ca -0.07 -0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 54.77 3hoy s ARG 446 Cb -0.03 -1.97 -0.05 0.00 -1.56 0.00 0.00 34.95 31.35 3hoy s ARG 446 CO 0.05 0.16 0.43 -0.65 -0.81 0.00 0.00 175.30 174.49 3hoy s GLN 447 N 0.36 3.57 0.33 5.12 -0.21 -1.26 -4.07 119.66 123.49 3hoy s GLN 447 Ca -0.15 -0.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.74 3hoy s GLN 447 Cb -0.16 -2.79 -0.11 0.00 1.00 0.00 0.00 33.01 30.95 3hoy s GLN 447 CO 0.06 0.36 1.43 -1.25 -2.12 0.00 0.00 175.29 173.78 3hoy s PRO 448 N -3.27 4.22 -0.85 2.91 0.04 -1.26 -5.09 135.00 131.69 3hoy s PRO 448 Ca 0.40 2.41 -0.14 0.00 0.04 0.00 0.00 61.00 63.72 3hoy s PRO 448 Cb -0.11 -3.03 0.22 0.00 0.04 0.00 0.00 34.50 31.62 3hoy s PRO 448 CO 0.28 -0.41 0.81 -1.12 0.04 0.00 0.00 177.00 176.60 3hoy s SER 449 N -0.08 6.81 -0.05 6.66 0.01 -1.26 -4.83 113.70 120.96 3hoy s SER 449 Ca 0.54 -2.75 0.12 0.00 1.31 0.00 0.00 55.95 55.17 3hoy s SER 449 Cb -0.44 -2.22 0.34 0.00 0.21 0.00 0.00 66.02 63.92 3hoy s SER 449 CO 0.54 -0.56 1.28 0.00 0.41 0.00 0.00 173.24 174.91 3hoy n LEU 450 N 3.94 3.09 -4.29 2.44 -0.00 -1.26 -5.00 117.00 115.93 3hoy n LEU 450 Ca 0.15 -2.27 -0.20 0.00 -0.00 0.00 0.00 56.01 53.69 3hoy n LEU 450 Cb 0.46 -0.30 -0.11 0.00 -0.00 0.00 0.00 43.42 43.48 3hoy n LEU 450 CO 0.35 0.70 -0.46 -1.00 -0.00 0.00 0.00 177.39 176.97 3hoy s HIS 451 N -1.49 1.60 0.24 1.47 3.76 -1.26 -4.62 115.29 115.00 3hoy s HIS 451 Ca 0.26 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 3hoy s HIS 451 Cb 0.17 -0.81 0.29 0.00 1.11 0.00 0.00 32.58 33.33 3hoy s HIS 451 CO 0.13 0.24 1.67 0.87 -0.85 0.00 0.00 174.74 176.79 3hoy h LYS 452 N 3.33 0.62 0.00 1.40 1.57 -1.94 -2.46 116.57 119.09 3hoy h LYS 452 Ca -0.41 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 3hoy h LYS 452 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3hoy h LYS 452 CO 0.52 0.82 0.00 -1.33 -0.57 0.00 0.00 179.45 178.89 3hoy n MET 453 N -4.11 0.14 0.00 3.15 2.81 -1.26 -2.42 117.12 115.43 3hoy n MET 453 Ca -0.00 0.49 0.12 0.00 -1.81 0.00 0.00 57.70 56.49 3hoy n MET 453 Cb 0.43 -1.83 0.64 0.00 -0.71 0.00 0.00 33.22 31.75 3hoy n MET 453 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3hoy n SER 454 N -2.10 0.00 -3.65 7.83 7.64 -0.93 -4.34 113.62 118.07 3hoy n SER 454 Ca 0.01 -0.26 -0.27 0.00 1.01 0.00 0.00 58.87 59.36 3hoy n SER 454 Cb 0.13 -0.20 -0.17 0.00 -1.01 0.00 0.00 64.21 62.96 3hoy n SER 454 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3hoy s MET 455 N -2.41 0.25 0.12 1.43 -1.94 -1.02 -2.65 119.30 113.09 3hoy s MET 455 Ca 0.27 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 3hoy s MET 455 Cb 0.16 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.05 3hoy s MET 455 CO 0.34 -0.67 -0.10 -1.64 -0.01 0.00 0.00 175.02 172.94 3hoy s MET 456 N 2.05 0.95 0.14 2.03 1.00 -0.78 -4.91 119.30 119.77 3hoy s MET 456 Ca 0.01 -1.31 -0.21 0.00 0.00 0.00 0.00 55.69 54.18 3hoy s MET 456 Cb -0.16 -0.57 -0.07 0.00 0.00 0.00 0.00 34.83 34.02 3hoy s MET 456 CO -0.09 0.08 0.67 0.00 0.00 0.00 0.00 175.02 175.67 3hoy s ALA 457 N -2.91 3.51 0.20 3.03 0.00 0.15 -0.44 121.76 125.30 3hoy s ALA 457 Ca 0.11 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3hoy s ALA 457 Cb 0.00 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 3hoy s ALA 457 CO 0.00 0.35 0.00 -1.01 0.00 0.00 0.00 175.76 175.11 3hoy s HIS 458 N -1.23 1.39 -0.04 0.00 3.76 0.37 -2.29 115.29 117.25 3hoy s HIS 458 Ca 0.34 -0.98 -0.16 0.00 -0.15 0.00 0.00 55.06 54.11 3hoy s HIS 458 Cb -0.20 -0.80 -0.05 0.00 1.11 0.00 0.00 32.58 32.64 3hoy s HIS 458 CO 0.22 -0.14 0.44 1.03 -0.85 0.00 0.00 174.74 175.44 3hoy s ARG 459 N -3.90 4.11 0.35 1.40 0.52 0.72 -0.98 118.95 121.18 3hoy s ARG 459 Ca 0.27 0.43 -0.25 0.00 -0.52 0.00 0.00 55.73 55.66 3hoy s ARG 459 Cb 0.06 -3.31 -0.10 0.00 0.52 0.00 0.00 34.95 32.12 3hoy s ARG 459 CO 0.07 0.48 0.97 0.08 0.02 0.00 0.00 175.30 176.92 3hoy s VAL 460 N -0.42 4.14 -0.25 3.52 1.01 -1.01 -1.64 120.40 125.76 3hoy s VAL 460 Ca 0.24 1.68 -0.04 0.00 0.00 0.00 0.00 61.98 63.86 3hoy s VAL 460 Cb -0.16 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.42 3hoy s VAL 460 CO 0.12 0.05 0.13 -0.75 0.00 0.00 0.00 175.10 174.65 3hoy s LYS 461 N -2.30 0.15 0.14 2.72 2.36 -1.11 0.11 119.74 121.82 3hoy s LYS 461 Ca 0.53 -0.35 -0.30 0.00 -2.55 0.00 0.00 55.97 53.31 3hoy s LYS 461 Cb -0.18 -1.35 -0.07 0.00 -1.05 0.00 0.00 37.83 35.18 3hoy s LYS 461 CO 0.23 -0.90 1.16 0.08 1.55 0.00 0.00 175.35 177.47 3hoy s VAL 462 N 2.13 3.85 0.16 4.02 1.01 -1.26 0.40 120.40 130.72 3hoy s VAL 462 Ca 0.07 1.48 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 3hoy s VAL 462 Cb -0.16 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3hoy s VAL 462 CO -0.27 0.20 0.15 0.27 0.00 0.00 0.00 175.10 175.45 3hoy s ILE 463 N 0.25 0.06 1.11 2.22 -4.36 0.10 -4.82 121.20 115.76 3hoy s ILE 463 Ca 0.53 -1.80 -0.19 0.00 -0.26 0.00 0.00 60.65 58.94 3hoy s ILE 463 Cb -0.30 -2.14 0.26 0.00 1.25 0.00 0.00 42.46 41.53 3hoy s ILE 463 CO 0.34 -0.27 1.23 -2.16 0.24 0.00 0.00 174.94 174.32 3hoy s PRO 464 N -4.06 -0.54 0.39 0.37 0.04 -1.26 -1.05 135.00 128.89 3hoy s PRO 464 Ca 0.27 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.96 3hoy s PRO 464 Cb 0.06 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.90 3hoy s PRO 464 CO 0.05 -3.21 0.00 0.66 0.04 0.00 0.00 177.00 174.54 3hoy n TYR 465 N -4.35 -2.56 0.01 0.56 4.02 -1.26 -4.69 117.16 108.89 3hoy n TYR 465 Ca 0.16 1.41 -0.04 0.00 -0.01 0.00 0.00 57.90 59.41 3hoy n TYR 465 Cb 0.59 -2.33 0.14 0.00 -0.02 0.00 0.00 39.34 37.73 3hoy n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3hoy n SER 466 N -3.06 3.33 -4.41 7.72 7.64 -1.26 -4.37 113.62 119.21 3hoy n SER 466 Ca -0.04 -2.61 -0.26 0.00 1.01 0.00 0.00 58.87 56.97 3hoy n SER 466 Cb 0.39 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 3hoy n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hoy s THR 467 N -1.72 2.25 -0.15 0.44 -4.23 -1.26 -4.61 115.64 106.36 3hoy s THR 467 Ca 0.27 -2.04 -0.29 0.00 -1.18 0.00 0.00 61.69 58.44 3hoy s THR 467 Cb 0.22 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 3hoy s THR 467 CO 0.06 -0.18 1.05 -0.36 -0.54 0.00 0.00 174.62 174.66 3hoy s PHE 468 N -1.82 3.38 -0.19 3.99 2.99 -0.74 -4.19 117.98 121.40 3hoy s PHE 468 Ca 0.20 1.48 -0.09 0.00 0.00 0.00 0.00 56.93 58.52 3hoy s PHE 468 Cb -0.07 -3.26 -0.05 0.00 0.00 0.00 0.00 43.02 39.64 3hoy s PHE 468 CO 0.10 -0.52 0.12 1.03 -0.00 0.00 0.00 175.22 175.95 3hoy s ARG 469 N 2.53 4.06 0.03 0.44 0.52 -0.34 -1.85 118.95 124.35 3hoy s ARG 469 Ca 0.48 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.47 3hoy s ARG 469 Cb -0.18 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 3hoy s ARG 469 CO 0.14 0.35 -0.06 -0.48 0.02 0.00 0.00 175.30 175.27 3hoy s LEU 470 N 0.20 2.24 0.37 2.53 0.05 -1.05 0.71 118.68 123.74 3hoy s LEU 470 Ca 0.08 -0.52 -0.28 0.00 0.05 0.00 0.00 54.13 53.47 3hoy s LEU 470 Cb -0.11 -0.06 -0.10 0.00 -2.05 0.00 0.00 46.19 43.87 3hoy s LEU 470 CO -0.01 -0.24 1.32 0.21 -0.55 0.00 0.00 176.35 177.09 3hoy s ASN 471 N -1.49 6.54 0.13 1.48 3.84 -1.26 -2.47 114.94 121.70 3hoy s ASN 471 Ca -0.12 2.71 -0.17 0.00 0.21 0.00 0.00 52.86 55.49 3hoy s ASN 471 Cb -0.10 -2.65 -0.03 0.00 -0.55 0.00 0.00 41.25 37.93 3hoy s ASN 471 CO -0.00 -0.70 1.70 -0.07 -2.79 0.00 0.00 177.10 175.24 3hoy h LEU 472 N 3.05 0.45 -2.24 3.21 3.38 -1.91 -2.91 115.31 118.34 3hoy h LEU 472 Ca -0.49 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.37 3hoy h LEU 472 Cb 1.24 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3hoy h LEU 472 CO 0.64 0.45 0.26 0.28 0.09 0.00 0.00 178.44 180.16 3hoy h SER 473 N 0.41 0.00 -0.02 -0.43 0.02 -1.93 0.70 113.55 112.29 3hoy h SER 473 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3hoy h SER 473 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3hoy h SER 473 CO -0.01 0.00 0.00 0.55 -1.14 0.00 0.00 176.83 176.23 3hoy n VAL 474 N -3.19 0.02 0.02 2.27 3.14 -1.10 -4.23 118.33 115.26 3hoy n VAL 474 Ca -0.00 -0.14 -0.01 0.00 -2.96 0.00 0.00 64.34 61.23 3hoy n VAL 474 Cb 0.34 0.01 -0.01 0.00 -1.06 0.00 0.00 33.84 33.12 3hoy n VAL 474 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3hoy h THR 475 N 1.17 0.00 -0.58 1.55 2.02 0.32 -3.32 112.91 114.06 3hoy h THR 475 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3hoy h THR 475 Cb 0.25 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.59 3hoy h THR 475 CO 0.00 0.00 -0.34 -1.54 0.37 0.00 0.00 175.52 174.01 3hoy n SER 476 N -2.47 -0.62 -0.24 4.18 3.41 -1.26 -0.64 113.62 115.98 3hoy n SER 476 Ca -0.01 1.43 0.04 0.00 -0.26 0.00 0.00 58.87 60.07 3hoy n SER 476 Cb 0.03 -0.33 0.09 0.00 -0.26 0.00 0.00 64.21 63.74 3hoy n SER 476 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3hoy n PRO 477 N -4.31 -0.06 0.08 4.33 -0.02 -1.25 0.18 135.00 133.95 3hoy n PRO 477 Ca 0.01 1.04 -0.10 0.00 -2.02 0.00 0.00 63.50 62.43 3hoy n PRO 477 Cb 0.15 -1.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 3hoy n PRO 477 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3hoy h TYR 478 N 0.00 0.23 -3.38 6.00 -1.99 -1.42 -3.39 116.97 113.03 3hoy h TYR 478 Ca 0.32 -0.16 -0.06 0.00 2.00 0.00 0.00 58.73 60.83 3hoy h TYR 478 Cb 0.49 -0.01 0.04 0.00 2.00 0.00 0.00 36.73 39.25 3hoy h TYR 478 CO -0.52 1.09 -0.19 -1.71 -0.00 0.00 0.00 178.16 176.83 3hoy n ASN 479 N -3.48 -2.79 -4.37 3.88 4.05 0.48 -4.82 115.26 108.20 3hoy n ASN 479 Ca -0.04 -0.16 -0.26 0.00 0.45 0.00 0.00 54.58 54.57 3hoy n ASN 479 Cb 0.94 -1.60 -0.12 0.00 1.23 0.00 0.00 39.78 40.23 3hoy n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hoy s ALA 480 N -3.09 2.24 0.33 5.20 0.00 -1.20 -5.02 121.76 120.23 3hoy s ALA 480 Ca 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3hoy s ALA 480 Cb -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 3hoy s ALA 480 CO 0.17 0.43 0.02 -0.25 0.00 0.00 0.00 175.76 176.13 3hoy n ASP 481 N 0.68 2.64 -0.63 0.00 10.43 -1.26 -4.74 116.55 123.67 3hoy n ASP 481 Ca -0.16 -2.49 0.08 0.00 2.57 0.00 0.00 54.79 54.79 3hoy n ASP 481 Cb 0.54 0.32 0.21 0.00 1.84 0.00 0.00 41.12 44.04 3hoy n ASP 481 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3hoy n PHE 482 N -0.81 0.62 0.99 1.24 0.99 -1.26 -4.36 117.46 114.86 3hoy n PHE 482 Ca -0.12 -0.98 0.00 0.00 -0.00 0.00 0.00 57.45 56.34 3hoy n PHE 482 Cb 0.43 -0.27 0.00 0.00 -1.00 0.00 0.00 39.48 38.64 3hoy n PHE 482 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3hoy n ASP 483 N -0.88 2.10 0.00 4.37 3.85 -1.26 -4.62 116.55 120.11 3hoy n ASP 483 Ca 0.20 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 3hoy n ASP 483 Cb 0.81 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 40.09 3hoy n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hoy n GLY 484 N 0.28 1.05 3.71 6.12 0.00 -1.26 -5.10 105.19 109.99 3hoy n GLY 484 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hoy n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hoy s ASP 485 N -0.44 3.92 0.34 1.61 1.01 -1.26 -4.83 116.67 117.02 3hoy s ASP 485 Ca 0.00 2.45 0.10 0.00 0.71 0.00 0.00 52.55 55.81 3hoy s ASP 485 Cb 0.00 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 3hoy s ASP 485 CO 0.00 -2.45 -0.09 -1.61 0.21 0.00 0.00 175.17 171.23 3hoy s GLU 486 N -3.89 1.83 -0.02 8.23 2.02 -1.26 -2.08 118.70 123.53 3hoy s GLU 486 Ca 0.76 -1.91 -0.09 0.00 0.02 0.00 0.00 54.97 53.75 3hoy s GLU 486 Cb -0.32 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.20 3hoy s GLU 486 CO 0.47 0.15 0.20 -1.64 0.02 0.00 0.00 175.26 174.46 3hoy s MET 487 N -3.61 0.46 0.14 1.61 -1.94 -1.05 -4.79 119.30 110.12 3hoy s MET 487 Ca 0.33 -0.16 0.04 0.00 -1.71 0.00 0.00 55.69 54.19 3hoy s MET 487 Cb 0.02 0.20 -0.04 0.00 2.01 0.00 0.00 34.83 37.02 3hoy s MET 487 CO 0.17 -0.11 0.12 -0.80 -0.01 0.00 0.00 175.02 174.39 3hoy s ASN 488 N -0.96 5.52 -0.01 3.03 -0.87 -0.44 -2.68 114.94 118.53 3hoy s ASN 488 Ca -0.10 -0.09 0.04 0.00 -1.57 0.00 0.00 52.86 51.13 3hoy s ASN 488 Cb -0.05 -1.45 -0.01 0.00 -0.02 0.00 0.00 41.25 39.71 3hoy s ASN 488 CO 0.02 0.10 -0.13 -0.22 -2.57 0.00 0.00 177.10 174.30 3hoy s LEU 489 N -2.87 2.00 -0.09 0.60 0.20 0.15 -0.98 118.68 117.69 3hoy s LEU 489 Ca 0.30 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.92 3hoy s LEU 489 Cb -0.11 -0.68 0.01 0.00 -0.43 0.00 0.00 46.19 44.98 3hoy s LEU 489 CO 0.23 0.15 -0.19 -1.00 -0.29 0.00 0.00 176.35 175.26 3hoy s HIS 490 N -0.25 2.08 -0.31 5.38 3.76 0.07 -1.03 115.29 124.97 3hoy s HIS 490 Ca 0.04 -0.84 -0.13 0.00 -0.15 0.00 0.00 55.06 53.98 3hoy s HIS 490 Cb -0.06 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 3hoy s HIS 490 CO -0.00 -0.37 0.24 0.08 -0.85 0.00 0.00 174.74 173.84 3hoy s VAL 491 N 0.53 5.28 0.36 -0.90 1.01 -0.88 -0.86 120.40 124.93 3hoy s VAL 491 Ca -0.16 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 3hoy s VAL 491 Cb -0.17 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 3hoy s VAL 491 CO 0.06 0.08 1.43 -2.16 0.00 0.00 0.00 175.10 174.52 3hoy s PRO 492 N 1.79 4.19 0.00 2.72 0.04 -1.26 -4.93 135.00 137.55 3hoy s PRO 492 Ca 0.08 2.46 0.21 0.00 0.04 0.00 0.00 61.00 63.78 3hoy s PRO 492 Cb -0.17 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 3hoy s PRO 492 CO 0.11 -0.43 0.97 0.94 0.04 0.00 0.00 177.00 178.63 3hoy n GLN 493 N 0.66 0.93 -4.28 4.56 -0.06 -1.26 -4.88 117.38 113.05 3hoy n GLN 493 Ca 0.01 -0.58 -0.22 0.00 -2.00 0.00 0.00 57.00 54.21 3hoy n GLN 493 Cb 0.40 -1.44 -0.12 0.00 -4.06 0.00 0.00 30.24 25.01 3hoy n GLN 493 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3hoy s SER 494 N -2.58 2.41 0.29 1.69 0.15 -1.26 -4.49 113.70 109.91 3hoy s SER 494 Ca 0.13 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 56.10 3hoy s SER 494 Cb 0.16 -0.13 0.69 0.00 -1.71 0.00 0.00 66.02 65.04 3hoy s SER 494 CO 0.66 0.01 1.73 -0.08 1.20 0.00 0.00 173.24 176.76 3hoy h GLU 495 N 3.92 0.52 0.00 5.44 4.57 -1.93 -0.83 114.58 126.27 3hoy h GLU 495 Ca -0.44 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.65 3hoy h GLU 495 Cb 1.19 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 3hoy h GLU 495 CO 0.42 0.34 -0.47 1.05 -1.18 0.00 0.00 179.01 179.17 3hoy h GLU 496 N 0.53 0.00 -0.21 1.92 4.11 -1.99 -2.94 114.58 116.00 3hoy h GLU 496 Ca 0.54 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.94 3hoy h GLU 496 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3hoy h GLU 496 CO -0.45 0.20 0.00 1.15 0.07 0.00 0.00 179.01 179.98 3hoy h THR 497 N 0.00 1.25 -0.71 -1.06 2.02 -1.58 -0.98 112.91 111.85 3hoy h THR 497 Ca -0.02 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 3hoy h THR 497 Cb 1.19 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 3hoy h THR 497 CO 0.03 0.27 0.36 0.03 0.37 0.00 0.00 175.52 176.58 3hoy h ARG 498 N 0.14 1.01 -0.75 6.66 3.08 -1.45 -0.77 114.38 122.30 3hoy h ARG 498 Ca 0.06 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.05 3hoy h ARG 498 Cb 0.39 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 3hoy h ARG 498 CO 0.01 0.78 0.49 0.00 -1.07 0.00 0.00 179.97 180.18 3hoy h ALA 499 N 1.18 1.72 -0.15 0.04 0.00 -1.31 0.43 119.26 121.16 3hoy h ALA 499 Ca 0.25 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3hoy h ALA 499 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hoy h ALA 499 CO -0.03 0.15 -0.47 1.49 0.00 0.00 0.00 179.25 180.39 3hoy h GLU 500 N 0.75 0.38 0.13 0.00 4.81 0.18 -0.38 114.58 120.46 3hoy h GLU 500 Ca 0.33 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3hoy h GLU 500 Cb 0.32 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hoy h GLU 500 CO -0.12 0.77 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.80 3hoy h LEU 501 N 0.30 -0.15 -0.68 1.64 3.38 0.44 -2.57 115.31 117.67 3hoy h LEU 501 Ca 0.02 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 3hoy h LEU 501 Cb 0.94 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3hoy h LEU 501 CO 0.08 0.41 0.01 0.77 0.09 0.00 0.00 178.44 179.80 3hoy h SER 502 N -0.79 1.00 1.21 -0.43 4.64 -0.31 -1.07 113.55 117.81 3hoy h SER 502 Ca -0.02 -0.27 -0.16 0.00 -0.47 0.00 0.00 61.79 60.87 3hoy h SER 502 Cb 0.55 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3hoy h SER 502 CO 0.03 1.05 -0.80 1.56 -0.87 0.00 0.00 176.83 177.80 3hoy h GLN 503 N 0.95 0.00 0.00 4.77 1.08 -1.18 -3.36 115.11 117.36 3hoy h GLN 503 Ca 0.17 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.13 3hoy h GLN 503 Cb 0.53 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 3hoy h GLN 503 CO 0.03 0.74 -1.83 1.28 -0.95 0.00 0.00 178.83 178.10 3hoy n LEU 504 N -3.28 1.79 -1.06 1.46 4.32 -0.97 -4.84 117.00 114.42 3hoy n LEU 504 Ca 0.00 0.09 0.02 0.00 -0.02 0.00 0.00 56.01 56.10 3hoy n LEU 504 Cb 0.85 -0.47 0.23 0.00 -1.62 0.00 0.00 43.42 42.41 3hoy n LEU 504 CO 0.44 0.47 0.73 0.00 -1.22 0.00 0.00 177.39 177.81 3hoy s ALA 506 N -3.03 3.02 0.21 0.00 0.00 -1.00 0.32 121.76 121.29 3hoy s ALA 506 Ca 0.44 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.45 3hoy s ALA 506 Cb 0.37 -3.47 0.30 0.00 0.00 0.00 0.00 23.12 20.32 3hoy s ALA 506 CO 0.05 -0.92 1.68 0.28 0.00 0.00 0.00 175.76 176.85 3hoy h VAL 507 N 1.94 0.56 -0.62 0.00 2.07 -1.81 -1.44 116.25 116.96 3hoy h VAL 507 Ca -0.50 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.07 3hoy h VAL 507 Cb 1.26 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3hoy h VAL 507 CO 0.60 0.03 0.18 -0.65 0.02 0.00 0.00 177.57 177.76 3hoy h PRO 508 N 0.18 0.32 -0.19 1.57 0.11 -1.89 0.68 132.00 132.79 3hoy h PRO 508 Ca 0.32 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.43 3hoy h PRO 508 Cb 0.51 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3hoy h PRO 508 CO -0.47 0.21 0.13 -0.07 -0.21 0.00 0.00 178.00 177.59 3hoy h LEU 509 N 0.33 0.13 -0.82 2.35 3.38 -1.58 -2.33 115.31 116.77 3hoy h LEU 509 Ca 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3hoy h LEU 509 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hoy h LEU 509 CO -0.37 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.26 3hoy n GLN 510 N -4.50 1.54 0.06 1.13 1.13 0.21 -4.52 117.38 112.44 3hoy n GLN 510 Ca 0.00 -0.81 -0.12 0.00 -1.94 0.00 0.00 57.00 54.13 3hoy n GLN 510 Cb 0.15 -1.40 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 3hoy n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hoy h ILE 511 N 1.71 0.33 -3.71 5.09 2.04 -1.18 -3.38 117.51 118.41 3hoy h ILE 511 Ca 0.00 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 65.20 3hoy h ILE 511 Cb 0.37 0.33 -0.17 0.00 -0.74 0.00 0.00 36.82 36.61 3hoy h ILE 511 CO 0.00 0.00 -0.34 -0.69 0.00 0.00 0.00 178.15 177.12 3hoy s VAL 512 N -6.02 5.21 -0.12 1.67 1.01 -1.26 -0.45 120.40 120.45 3hoy s VAL 512 Ca -0.16 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3hoy s VAL 512 Cb 0.09 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3hoy s VAL 512 CO 0.65 -0.00 0.06 -0.55 0.00 0.00 0.00 175.10 175.26 3hoy s SER 513 N 1.72 5.71 0.55 3.32 0.15 -0.07 -4.83 113.70 120.25 3hoy s SER 513 Ca 0.11 0.25 0.26 0.00 0.70 0.00 0.00 55.95 57.26 3hoy s SER 513 Cb -0.17 -1.77 1.59 0.00 -1.71 0.00 0.00 66.02 63.96 3hoy s SER 513 CO 0.11 0.35 2.17 1.55 1.20 0.00 0.00 173.24 178.62 3hoy h PRO 514 N 5.38 0.00 -1.28 5.44 0.13 -1.84 -1.28 132.00 138.56 3hoy h PRO 514 Ca -0.50 0.00 0.44 0.00 -0.87 0.00 0.00 66.00 65.08 3hoy h PRO 514 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3hoy h PRO 514 CO 0.59 0.05 0.80 0.37 -0.23 0.00 0.00 178.00 179.58 3hoy h GLN 515 N 0.00 0.05 0.00 0.86 5.75 -1.93 -3.14 115.11 116.70 3hoy h GLN 515 Ca -0.00 -0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 3hoy h GLN 515 Cb 0.13 -0.01 -0.12 0.00 1.07 0.00 0.00 27.48 28.54 3hoy h GLN 515 CO 0.01 0.04 -0.21 -1.13 -2.65 0.00 0.00 178.83 174.88 3hoy n SER 516 N -4.82 -1.23 -3.94 -0.69 3.41 -1.03 -3.60 113.62 101.72 3hoy n SER 516 Ca 0.38 -2.00 -0.31 0.00 -0.26 0.00 0.00 58.87 56.69 3hoy n SER 516 Cb 1.44 0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 65.99 3hoy n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hoy n ASN 517 N -1.10 -1.87 -3.56 4.04 0.23 -0.51 -4.84 115.26 107.64 3hoy n ASN 517 Ca -0.13 -0.94 -0.07 0.00 -0.53 0.00 0.00 54.58 52.90 3hoy n ASN 517 Cb 0.79 -1.14 -0.02 0.00 -2.08 0.00 0.00 39.78 37.34 3hoy n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3hoy s LYS 518 N -6.62 0.95 0.43 -3.83 -2.85 -1.00 -4.80 119.74 102.01 3hoy s LYS 518 Ca 0.25 -0.40 -0.26 0.00 -1.00 0.00 0.00 55.97 54.56 3hoy s LYS 518 Cb -0.14 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 35.95 3hoy s LYS 518 CO 0.71 -0.42 1.38 -1.25 0.10 0.00 0.00 175.35 175.87 3hoy s PRO 519 N -3.21 3.81 -0.14 1.78 0.04 -1.26 -0.89 135.00 135.13 3hoy s PRO 519 Ca 0.06 2.32 0.15 0.00 0.04 0.00 0.00 61.00 63.58 3hoy s PRO 519 Cb -0.01 -2.71 0.53 0.00 0.04 0.00 0.00 34.50 32.35 3hoy s PRO 519 CO -0.07 -0.68 1.44 0.00 0.04 0.00 0.00 177.00 177.73 3hoy s MET 521 N -2.37 0.23 0.00 0.00 -1.94 -1.26 -4.12 119.30 109.84 3hoy s MET 521 Ca 0.40 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.90 3hoy s MET 521 Cb 0.30 -0.08 0.00 0.00 2.01 0.00 0.00 34.83 37.06 3hoy s MET 521 CO 0.12 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.40 3hoy n GLY 522 N 4.07 4.49 3.83 -0.03 0.00 -1.26 -4.51 105.19 111.77 3hoy n GLY 522 Ca -0.24 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 3hoy n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hoy s ILE 523 N -1.60 4.80 0.00 -0.61 1.01 -0.71 -4.53 121.20 119.56 3hoy s ILE 523 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.66 3hoy s ILE 523 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3hoy s ILE 523 CO 0.00 0.38 0.00 0.52 0.00 0.00 0.00 174.94 175.84 3hoy n VAL 524 N 1.21 0.00 0.00 2.92 0.31 -1.26 -4.75 118.33 116.76 3hoy n VAL 524 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3hoy n VAL 524 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 3hoy n VAL 524 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hoy n GLN 525 N 0.00 0.00 0.00 5.55 6.02 -1.26 0.55 117.38 128.24 3hoy n GLN 525 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hoy n GLN 525 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3hoy n GLN 525 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hoy n ASP 526 N 0.00 0.00 -0.29 1.08 9.92 -1.26 -1.47 116.55 124.53 3hoy n ASP 526 Ca 0.00 0.84 0.25 0.00 -0.53 0.00 0.00 54.79 55.35 3hoy n ASP 526 Cb 0.00 -0.34 0.47 0.00 -0.64 0.00 0.00 41.12 40.61 3hoy n ASP 526 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3hoy n THR 527 N -2.08 -0.38 0.03 -3.53 -1.04 -1.12 -0.25 114.28 105.91 3hoy n THR 527 Ca 0.00 1.86 -0.01 0.00 -2.04 0.00 0.00 64.05 63.86 3hoy n THR 527 Cb 0.00 -2.95 -0.01 0.00 -1.82 0.00 0.00 70.33 65.56 3hoy n THR 527 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hoy h LEU 528 N 0.00 -0.07 -1.50 -4.42 5.85 0.99 0.49 115.31 116.66 3hoy h LEU 528 Ca 0.71 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.78 3hoy h LEU 528 Cb 1.81 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.75 3hoy h LEU 528 CO -0.73 -0.03 0.79 0.00 -0.34 0.00 0.00 178.44 178.13 3hoy h GLY 530 N 0.21 0.30 2.00 0.00 0.00 -0.59 -3.31 103.07 101.68 3hoy h GLY 530 Ca 0.68 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3hoy h GLY 530 CO -0.29 0.67 -0.19 1.19 0.00 0.00 0.00 176.54 177.93 3hoy h ILE 531 N 0.07 1.10 0.68 2.60 2.10 0.27 -2.45 117.51 121.88 3hoy h ILE 531 Ca -0.14 -0.64 -0.03 0.00 1.08 0.00 0.00 64.86 65.13 3hoy h ILE 531 Cb 1.97 1.35 0.01 0.00 -1.09 0.00 0.00 36.82 39.06 3hoy h ILE 531 CO 0.20 0.18 -0.33 -0.09 -1.08 0.00 0.00 178.15 177.03 3hoy h ARG 532 N 0.00 -0.88 -0.02 2.19 2.43 -1.47 -2.69 114.38 113.94 3hoy h ARG 532 Ca -0.00 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3hoy h ARG 532 Cb 0.33 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3hoy h ARG 532 CO 0.02 -0.57 -0.31 0.87 -1.51 0.00 0.00 179.97 178.48 3hoy h LYS 533 N -0.96 -0.43 -1.34 0.20 1.57 -1.64 0.48 116.57 114.44 3hoy h LYS 533 Ca -0.09 0.03 0.41 0.00 -1.87 0.00 0.00 60.65 59.13 3hoy h LYS 533 Cb 0.71 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.02 3hoy h LYS 533 CO 0.15 -0.29 0.90 1.25 -0.57 0.00 0.00 179.45 180.90 3hoy h LEU 534 N -0.44 0.21 0.02 2.94 5.85 -1.43 -2.30 115.31 120.16 3hoy h LEU 534 Ca 0.07 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3hoy h LEU 534 Cb 0.54 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.64 3hoy h LEU 534 CO -0.27 -0.08 -0.22 0.74 -0.34 0.00 0.00 178.44 178.27 3hoy h THR 535 N 0.12 1.63 -0.43 1.05 2.02 -0.57 -3.10 112.91 113.62 3hoy h THR 535 Ca 0.76 -2.13 -0.32 0.00 0.77 0.00 0.00 66.41 65.48 3hoy h THR 535 Cb 2.50 3.03 0.03 0.00 -1.74 0.00 0.00 68.15 71.97 3hoy h THR 535 CO -0.27 0.57 -0.04 0.18 0.37 0.00 0.00 175.52 176.34 3hoy n LEU 536 N -4.51 -0.13 -0.33 2.58 4.77 -0.87 -4.24 117.00 114.28 3hoy n LEU 536 Ca -0.10 0.49 0.10 0.00 -0.03 0.00 0.00 56.01 56.46 3hoy n LEU 536 Cb 0.52 -0.40 0.21 0.00 -2.33 0.00 0.00 43.42 41.43 3hoy n LEU 536 CO 0.38 -0.93 0.76 0.03 -1.33 0.00 0.00 177.39 176.31 3hoy h ARG 537 N 1.07 0.02 -0.84 3.23 3.08 -1.93 -0.45 114.38 118.57 3hoy h ARG 537 Ca -0.19 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.05 3hoy h ARG 537 Cb 0.61 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.54 3hoy h ARG 537 CO 0.27 0.02 0.31 -0.44 -1.07 0.00 0.00 179.97 179.06 3hoy h ASP 538 N 0.02 0.21 -2.28 7.04 3.45 -1.95 -3.42 116.42 119.49 3hoy h ASP 538 Ca 0.52 0.15 -0.58 0.00 0.43 0.00 0.00 57.03 57.55 3hoy h ASP 538 Cb 0.96 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 3hoy h ASP 538 CO -0.89 -0.01 1.40 -0.89 -1.57 0.00 0.00 179.24 177.27 3hoy s THR 539 N -5.95 3.22 0.06 0.35 2.01 -0.18 -4.99 115.64 110.17 3hoy s THR 539 Ca -0.12 0.22 0.09 0.00 0.31 0.00 0.00 61.69 62.19 3hoy s THR 539 Cb 0.24 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 3hoy s THR 539 CO 0.77 -0.20 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.89 3hoy s PHE 540 N 7.81 2.23 -0.10 4.92 0.40 -1.26 -2.90 117.98 129.07 3hoy s PHE 540 Ca 0.91 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.86 3hoy s PHE 540 Cb -0.28 -1.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 3hoy s PHE 540 CO 0.34 0.17 -0.19 0.42 0.70 0.00 0.00 175.22 176.65 3hoy s ILE 541 N -0.87 2.49 -0.12 0.64 1.01 0.20 -4.95 121.20 119.60 3hoy s ILE 541 Ca 0.11 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3hoy s ILE 541 Cb -0.10 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3hoy s ILE 541 CO 0.03 0.55 0.13 -1.83 0.00 0.00 0.00 174.94 173.82 3hoy s GLU 542 N 0.24 3.48 0.00 2.79 -1.05 -1.26 -1.15 118.70 121.75 3hoy s GLU 542 Ca -0.13 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 3hoy s GLU 542 Cb -0.16 -3.19 0.00 0.00 -0.44 0.00 0.00 34.13 30.33 3hoy s GLU 542 CO 0.07 0.74 0.00 -0.11 0.95 0.00 0.00 175.26 176.91 3hoy n LEU 543 N 2.10 0.00 -0.27 1.83 7.94 -1.26 -1.25 117.00 126.09 3hoy n LEU 543 Ca -0.20 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.72 3hoy n LEU 543 Cb 0.55 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.59 3hoy n LEU 543 CO 0.31 0.00 0.71 -2.24 -1.11 0.00 0.00 177.39 175.06 3hoy h ASP 544 N 0.00 -0.72 0.09 1.96 2.03 -1.97 -1.09 116.42 116.72 3hoy h ASP 544 Ca 0.00 0.23 -0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3hoy h ASP 544 Cb 0.00 0.48 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 3hoy h ASP 544 CO 0.00 -0.25 -0.04 1.56 -1.03 0.00 0.00 179.24 179.47 3hoy h GLN 545 N -0.00 -0.11 -0.43 4.15 4.20 -1.57 -3.27 115.11 118.08 3hoy h GLN 545 Ca 0.37 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.25 3hoy h GLN 545 Cb 0.56 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.29 3hoy h GLN 545 CO -0.79 -0.08 0.19 0.28 -0.67 0.00 0.00 178.83 177.76 3hoy n VAL 546 N -2.69 -0.18 -0.14 -0.54 0.31 -1.10 0.38 118.33 114.38 3hoy n VAL 546 Ca -0.01 0.88 -0.02 0.00 -0.01 0.00 0.00 64.34 65.17 3hoy n VAL 546 Cb 0.05 -1.40 0.20 0.00 -0.91 0.00 0.00 33.84 31.78 3hoy n VAL 546 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hoy h LEU 547 N 0.00 0.79 0.13 7.52 3.38 -1.25 -0.63 115.31 125.26 3hoy h LEU 547 Ca 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3hoy h LEU 547 Cb 0.88 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hoy h LEU 547 CO -0.34 0.73 -0.06 0.78 0.09 0.00 0.00 178.44 179.64 3hoy h ASN 548 N 0.83 -0.15 -1.10 -0.43 2.35 0.71 -2.70 115.58 115.09 3hoy h ASN 548 Ca 0.19 -0.39 0.37 0.00 -0.55 0.00 0.00 56.30 55.92 3hoy h ASN 548 Cb 0.22 0.04 -0.14 0.00 0.05 0.00 0.00 38.32 38.49 3hoy h ASN 548 CO -0.01 0.44 0.65 0.24 -1.65 0.00 0.00 177.43 177.10 3hoy h MET 549 N -0.89 0.20 -0.24 0.81 2.86 -1.27 0.36 114.93 116.76 3hoy h MET 549 Ca -0.02 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 3hoy h MET 549 Cb 0.53 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 3hoy h MET 549 CO 0.03 0.13 -0.40 -0.07 1.06 0.00 0.00 176.91 177.66 3hoy h LEU 550 N 0.20 0.76 -1.47 1.22 3.38 -1.08 -3.19 115.31 115.13 3hoy h LEU 550 Ca 0.77 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3hoy h LEU 550 Cb 2.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 3hoy h LEU 550 CO -0.56 1.14 -0.00 0.22 0.09 0.00 0.00 178.44 179.33 3hoy h TYR 551 N 0.40 0.34 -0.53 1.13 3.20 0.01 -2.67 116.97 118.85 3hoy h TYR 551 Ca 0.02 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3hoy h TYR 551 Cb 0.99 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 3hoy h TYR 551 CO 0.08 0.35 0.24 -1.49 -1.64 0.00 0.00 178.16 175.70 3hoy h TRP 552 N 0.33 0.74 -1.96 -3.82 4.06 -1.25 -3.38 115.95 110.67 3hoy h TRP 552 Ca 0.08 -0.03 -0.50 0.00 2.06 0.00 0.00 58.89 60.50 3hoy h TRP 552 Cb 0.23 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 3hoy h TRP 552 CO 0.01 0.56 1.36 0.08 -3.56 0.00 0.00 178.44 176.89 3hoy s VAL 553 N -5.40 3.34 0.43 1.49 1.01 -1.01 -4.83 120.40 115.43 3hoy s VAL 553 Ca -0.09 0.19 0.13 0.00 0.00 0.00 0.00 61.98 62.21 3hoy s VAL 553 Cb 0.17 -3.91 0.13 0.00 0.00 0.00 0.00 36.38 32.77 3hoy s VAL 553 CO 0.77 -0.88 1.33 1.55 0.00 0.00 0.00 175.10 177.87 3hoy h PRO 554 N 15.11 0.00 0.00 2.72 0.13 -1.86 -1.95 132.00 146.15 3hoy h PRO 554 Ca -0.26 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.49 3hoy h PRO 554 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 3hoy h PRO 554 CO 1.22 0.00 -2.44 -0.25 -0.23 0.00 0.00 178.00 176.29 3hoy n ASP 555 N -2.37 1.87 0.00 1.44 8.00 -1.26 -5.03 116.55 119.19 3hoy n ASP 555 Ca -0.01 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3hoy n ASP 555 Cb 0.57 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3hoy n ASP 555 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3hoy n TRP 556 N -3.20 0.00 1.02 1.24 -0.00 -0.73 -4.68 117.44 111.08 3hoy n TRP 556 Ca -0.44 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.09 3hoy n TRP 556 Cb 0.99 0.00 0.18 0.00 -0.00 0.00 0.00 31.31 32.48 3hoy n TRP 556 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3hoy n ASP 557 N 0.00 0.00 -3.47 5.87 5.75 -1.26 -4.82 116.55 118.61 3hoy n ASP 557 Ca 0.00 -0.83 -0.19 0.00 -0.01 0.00 0.00 54.79 53.76 3hoy n ASP 557 Cb 0.00 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 3hoy n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hoy n GLY 558 N 0.01 -0.39 2.54 6.12 0.00 -1.26 -4.97 105.19 107.23 3hoy n GLY 558 Ca 0.05 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3hoy n GLY 558 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hoy n VAL 559 N -4.30 -0.08 -1.49 1.61 0.31 -1.26 -5.08 118.33 108.03 3hoy n VAL 559 Ca -0.23 -4.03 -0.61 0.00 -0.01 0.00 0.00 64.34 59.46 3hoy n VAL 559 Cb 0.65 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 3hoy n VAL 559 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3hoy n ILE 560 N 2.33 0.06 -2.65 2.52 -5.35 -1.26 -4.85 119.36 110.16 3hoy n ILE 560 Ca 0.26 -0.04 -0.38 0.00 -0.27 0.00 0.00 62.75 62.32 3hoy n ILE 560 Cb 0.44 -0.72 -0.05 0.00 -1.74 0.00 0.00 39.64 37.57 3hoy n ILE 560 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3hoy s PRO 561 N 4.74 4.57 0.01 6.28 0.04 -1.26 -4.99 135.00 144.39 3hoy s PRO 561 Ca 1.11 1.51 -0.37 0.00 0.04 0.00 0.00 61.00 63.30 3hoy s PRO 561 Cb -1.38 -2.94 -0.16 0.00 0.04 0.00 0.00 34.50 30.06 3hoy s PRO 561 CO 0.69 0.23 1.47 2.41 0.04 0.00 0.00 177.00 181.85 3hoy n THR 562 N 0.78 0.09 -1.56 1.26 -1.04 -1.26 -4.90 114.28 107.65 3hoy n THR 562 Ca 0.01 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 3hoy n THR 562 Cb 0.48 -1.03 0.08 0.00 -1.82 0.00 0.00 70.33 68.04 3hoy n THR 562 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hoy n PRO 563 N 3.38 0.85 0.21 -2.82 -0.02 -1.26 -4.90 135.00 130.44 3hoy n PRO 563 Ca 0.20 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3hoy n PRO 563 Cb 0.19 -2.48 0.22 0.00 -0.02 0.00 0.00 33.50 31.42 3hoy n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hoy h ALA 564 N 0.15 1.00 -3.37 3.55 0.00 -1.75 -3.41 119.26 115.43 3hoy h ALA 564 Ca -0.50 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 3hoy h ALA 564 Cb 1.33 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.74 3hoy h ALA 564 CO 0.51 0.00 -0.78 0.42 0.00 0.00 0.00 179.25 179.40 3hoy s ILE 565 N -3.22 0.93 -0.19 0.00 1.01 -0.89 -4.98 121.20 113.85 3hoy s ILE 565 Ca 0.07 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.13 3hoy s ILE 565 Cb 0.06 -1.25 -0.18 0.00 0.01 0.00 0.00 42.46 41.09 3hoy s ILE 565 CO 0.66 -0.04 -0.05 -0.38 0.00 0.00 0.00 174.94 175.12 3hoy n ILE 566 N 4.91 1.23 0.00 2.92 5.41 -1.26 -0.08 119.36 132.49 3hoy n ILE 566 Ca -0.10 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.02 3hoy n ILE 566 Cb 0.47 -0.87 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 3hoy n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3hoy n LYS 567 N -2.87 0.00 0.19 0.38 2.85 -1.26 -4.18 118.16 113.28 3hoy n LYS 567 Ca -0.33 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 56.79 3hoy n LYS 567 Cb 1.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 35.30 3hoy n LYS 567 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 3hoy h PRO 568 N 0.00 -0.49 -5.26 -1.58 0.13 -2.05 -3.43 132.00 119.32 3hoy h PRO 568 Ca 0.00 0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 64.51 3hoy h PRO 568 Cb 0.00 0.11 -0.25 0.00 0.13 0.00 0.00 31.00 30.99 3hoy h PRO 568 CO 0.00 -0.18 -0.73 0.21 -0.23 0.00 0.00 178.00 177.07 3hoy s LYS 569 N -4.77 3.47 -0.00 0.86 2.20 -1.26 -5.06 119.74 115.18 3hoy s LYS 569 Ca -0.14 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 3hoy s LYS 569 Cb 0.02 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.50 3hoy s LYS 569 CO 0.53 0.16 1.60 -1.25 -0.36 0.00 0.00 175.35 176.03 3hoy s PRO 570 N 0.54 4.21 0.05 4.03 0.04 -1.26 -4.41 135.00 138.20 3hoy s PRO 570 Ca -0.06 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.21 3hoy s PRO 570 Cb -0.15 -3.77 -0.02 0.00 0.04 0.00 0.00 34.50 30.60 3hoy s PRO 570 CO 0.03 -0.75 -0.10 -0.51 0.04 0.00 0.00 177.00 175.71 3hoy s LEU 571 N 3.22 2.25 0.27 -3.56 1.02 0.89 -4.33 118.68 118.44 3hoy s LEU 571 Ca 0.72 -0.55 0.12 0.00 0.02 0.00 0.00 54.13 54.43 3hoy s LEU 571 Cb -0.35 -0.31 -0.05 0.00 0.02 0.00 0.00 46.19 45.50 3hoy s LEU 571 CO 0.30 -0.14 -0.20 0.26 0.02 0.00 0.00 176.35 176.59 3hoy s TRP 572 N -1.27 2.26 0.27 0.29 0.51 -0.30 -1.99 118.94 118.71 3hoy s TRP 572 Ca -0.06 -0.34 0.10 0.00 -2.12 0.00 0.00 56.10 53.67 3hoy s TRP 572 Cb -0.10 -0.98 -0.05 0.00 -0.81 0.00 0.00 33.47 31.53 3hoy s TRP 572 CO 0.01 0.69 -0.06 -1.54 -0.51 0.00 0.00 176.95 175.54 3hoy s SER 573 N -3.47 4.26 0.00 2.95 1.04 -1.26 0.58 113.70 117.80 3hoy s SER 573 Ca 0.29 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3hoy s SER 573 Cb -0.05 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.40 3hoy s SER 573 CO 0.14 -0.00 0.60 0.61 0.98 0.00 0.00 173.24 175.57 3hoy n GLY 574 N -0.82 -3.35 0.22 7.32 0.00 -1.14 -1.59 105.19 105.83 3hoy n GLY 574 Ca -0.06 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.47 3hoy n GLY 574 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hoy n LYS 575 N -1.20 -0.11 -0.12 1.61 5.02 -1.25 -0.24 118.16 121.87 3hoy n LYS 575 Ca 0.00 0.89 -0.10 0.00 -2.02 0.00 0.00 58.31 57.08 3hoy n LYS 575 Cb 0.00 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 3hoy n LYS 575 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3hoy h GLN 576 N 0.00 -0.33 0.02 1.97 4.15 -1.58 0.84 115.11 120.18 3hoy h GLN 576 Ca 0.22 0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.42 3hoy h GLN 576 Cb 0.37 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3hoy h GLN 576 CO -0.58 -0.22 -1.26 -0.84 -1.93 0.00 0.00 178.83 174.00 3hoy h ILE 577 N -0.34 1.41 -0.59 2.39 3.07 0.24 -3.07 117.51 120.62 3hoy h ILE 577 Ca 0.13 -3.14 0.17 0.00 1.55 0.00 0.00 64.86 63.57 3hoy h ILE 577 Cb 0.59 2.72 -0.02 0.00 -0.27 0.00 0.00 36.82 39.84 3hoy h ILE 577 CO -0.57 0.82 0.44 0.25 -1.05 0.00 0.00 178.15 178.04 3hoy h LEU 578 N 0.01 0.00 -1.48 0.16 5.85 -0.55 0.59 115.31 119.90 3hoy h LEU 578 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3hoy h LEU 578 Cb 1.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.90 3hoy h LEU 578 CO 0.12 0.00 0.00 0.28 -0.34 0.00 0.00 178.44 178.50 3hoy h SER 579 N 0.00 0.00 0.80 1.25 0.02 -0.73 -2.42 113.55 112.47 3hoy h SER 579 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3hoy h SER 579 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3hoy h SER 579 CO -0.00 0.00 0.00 0.58 -1.14 0.00 0.00 176.83 176.27 3hoy h VAL 580 N 0.00 0.00 0.00 2.27 2.07 0.09 -2.56 116.25 118.11 3hoy h VAL 580 Ca 0.00 -0.28 -0.26 0.00 0.82 0.00 0.00 66.70 66.99 3hoy h VAL 580 Cb 0.26 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3hoy h VAL 580 CO 0.00 0.00 -1.56 0.00 0.02 0.00 0.00 177.57 176.03 3hoy h ALA 581 N 2.25 0.71 -2.11 1.67 0.00 -1.57 -3.45 119.26 116.76 3hoy h ALA 581 Ca 0.00 -1.27 -0.57 0.00 0.00 0.00 0.00 54.91 53.07 3hoy h ALA 581 Cb 0.40 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3hoy h ALA 581 CO 0.00 1.41 0.89 0.42 0.00 0.00 0.00 179.25 181.96 3hoy s ILE 582 N -2.68 4.37 0.71 0.00 1.01 -0.97 -4.89 121.20 118.76 3hoy s ILE 582 Ca -0.04 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.15 3hoy s ILE 582 Cb 0.08 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3hoy s ILE 582 CO 0.82 -0.19 1.07 -2.16 0.00 0.00 0.00 174.94 174.47 3hoy s PRO 583 N 3.51 2.78 0.61 2.79 0.04 -1.26 -4.75 135.00 138.72 3hoy s PRO 583 Ca 0.52 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 3hoy s PRO 583 Cb -0.19 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3hoy s PRO 583 CO 0.13 -1.23 1.23 -0.80 0.04 0.00 0.00 177.00 176.38 3hoy s ASN 584 N -3.71 5.01 0.00 6.66 0.01 -1.26 -3.60 114.94 118.05 3hoy s ASN 584 Ca 0.59 2.46 0.00 0.00 -0.71 0.00 0.00 52.86 55.20 3hoy s ASN 584 Cb -0.15 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.91 3hoy s ASN 584 CO 0.55 -1.72 0.00 0.61 -1.51 0.00 0.00 177.10 175.03 3hoy n GLY 585 N 0.62 0.67 3.40 0.66 0.00 -1.26 -4.87 105.19 104.41 3hoy n GLY 585 Ca 0.14 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3hoy n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hoy s ILE 586 N -2.00 4.31 -0.17 -0.61 -1.09 -1.24 -4.91 121.20 115.49 3hoy s ILE 586 Ca 0.00 -0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 57.87 3hoy s ILE 586 Cb 0.00 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 3hoy s ILE 586 CO 0.00 0.08 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.40 3hoy s HIS 587 N 1.56 2.86 -0.04 3.97 2.46 -1.26 -1.55 115.29 123.30 3hoy s HIS 587 Ca 0.04 -0.88 -0.03 0.00 0.47 0.00 0.00 55.06 54.66 3hoy s HIS 587 Cb -0.17 -1.95 0.01 0.00 -0.13 0.00 0.00 32.58 30.35 3hoy s HIS 587 CO 0.04 -0.41 0.09 -1.17 -2.47 0.00 0.00 174.74 170.82 3hoy s LEU 588 N 0.88 1.53 0.00 8.88 2.96 1.00 -4.96 118.68 128.97 3hoy s LEU 588 Ca -0.03 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3hoy s LEU 588 Cb -0.15 0.29 -0.00 0.00 0.50 0.00 0.00 46.19 46.82 3hoy s LEU 588 CO 0.00 -0.05 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.85 3hoy s GLN 589 N 0.22 0.23 0.00 1.98 -0.21 -1.23 0.58 119.66 121.23 3hoy s GLN 589 Ca -0.01 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.21 3hoy s GLN 589 Cb -0.02 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.80 3hoy s GLN 589 CO -0.01 0.05 0.00 -2.13 -2.12 0.00 0.00 175.29 171.08 3hoy n ARG 590 N 2.86 0.00 -1.26 2.91 0.63 0.11 -4.89 116.66 117.03 3hoy n ARG 590 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 3hoy n ARG 590 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 3hoy n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hoy n PHE 591 N -1.13 0.00 0.00 -0.14 3.01 -1.26 -4.89 117.46 113.05 3hoy n PHE 591 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hoy n PHE 591 Cb 0.00 -1.26 0.00 0.00 -0.01 0.00 0.00 39.48 38.21 3hoy n PHE 591 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hoy n ASP 592 N 0.00 0.00 0.00 4.37 8.00 -1.26 -4.89 116.55 122.77 3hoy n ASP 592 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3hoy n ASP 592 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3hoy n ASP 592 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hoy n GLU 593 N 0.00 0.00 -1.65 -1.24 -0.58 -1.26 -4.54 120.64 111.36 3hoy n GLU 593 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 3hoy n GLU 593 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3hoy n GLU 593 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hoy n GLY 594 N 3.03 3.82 3.87 0.62 0.00 -1.26 -4.91 105.19 110.36 3hoy n GLY 594 Ca 0.00 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 3hoy n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hoy s THR 595 N 3.83 5.34 -0.50 2.61 2.01 -1.26 -4.34 115.64 123.33 3hoy s THR 595 Ca 0.50 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.52 3hoy s THR 595 Cb 0.13 -3.42 0.22 0.00 0.01 0.00 0.00 72.50 69.45 3hoy s THR 595 CO -0.03 0.45 0.84 0.35 -0.69 0.00 0.00 174.62 175.55 3hoy n THR 596 N 1.42 0.00 -0.70 -0.82 -2.24 -1.26 -4.92 114.28 105.76 3hoy n THR 596 Ca -0.15 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 3hoy n THR 596 Cb 0.54 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 3hoy n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hoy n LEU 597 N 2.07 0.00 -1.28 3.22 4.32 -1.26 -3.23 117.00 120.84 3hoy n LEU 597 Ca 0.12 0.07 -0.00 0.00 -0.02 0.00 0.00 56.01 56.18 3hoy n LEU 597 Cb 0.61 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 3hoy n LEU 597 CO 0.02 0.00 0.19 -0.11 -1.22 0.00 0.00 177.39 176.28 3hoy n LEU 598 N -0.54 -0.01 -3.83 2.23 0.00 -1.26 -5.11 117.00 108.48 3hoy n LEU 598 Ca 0.00 -0.78 -0.53 0.00 0.00 0.00 0.00 56.01 54.69 3hoy n LEU 598 Cb 0.07 0.77 -0.11 0.00 0.00 0.00 0.00 43.42 44.15 3hoy n LEU 598 CO 0.00 0.89 1.58 -1.54 0.00 0.00 0.00 177.39 178.32 3hoy n SER 599 N -0.01 0.66 -0.14 1.96 3.41 -1.20 -4.80 113.62 113.50 3hoy n SER 599 Ca -0.00 0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 59.11 3hoy n SER 599 Cb 0.45 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 3hoy n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hoy h PRO 600 N 8.22 0.63 -0.03 4.33 0.13 -1.90 -2.25 132.00 141.14 3hoy h PRO 600 Ca -0.09 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3hoy h PRO 600 Cb 1.27 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hoy h PRO 600 CO 0.99 0.62 0.00 1.63 -0.23 0.00 0.00 178.00 181.01 3hoy n LYS 601 N -4.60 1.07 -3.72 0.86 5.02 -1.26 -4.86 118.16 110.67 3hoy n LYS 601 Ca -0.00 -0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 55.95 3hoy n LYS 601 Cb 0.17 -1.09 0.04 0.00 -0.02 0.00 0.00 35.03 34.13 3hoy n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hoy n ASP 602 N -0.48 -2.73 -3.60 4.39 2.03 -0.85 -4.92 116.55 110.39 3hoy n ASP 602 Ca 0.04 -0.76 -0.17 0.00 0.52 0.00 0.00 54.79 54.42 3hoy n ASP 602 Cb 0.04 -4.22 0.10 0.00 -0.72 0.00 0.00 41.12 36.32 3hoy n ASP 602 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hoy n ASN 603 N -3.00 0.63 0.00 1.67 3.02 -1.26 -2.34 115.26 113.98 3hoy n ASN 603 Ca -0.18 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 3hoy n ASN 603 Cb 0.62 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3hoy n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hoy n GLY 604 N -0.54 0.86 3.64 7.41 0.00 -1.26 -4.19 105.19 111.10 3hoy n GLY 604 Ca 0.11 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 3hoy n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hoy s MET 605 N 0.00 0.68 -0.24 1.61 1.75 -1.26 -4.17 119.30 117.67 3hoy s MET 605 Ca 0.00 1.14 -0.03 0.00 -1.25 0.00 0.00 55.69 55.55 3hoy s MET 605 Cb 0.00 0.16 0.08 0.00 2.84 0.00 0.00 34.83 37.91 3hoy s MET 605 CO 0.00 -0.14 0.08 -1.17 -0.65 0.00 0.00 175.02 173.14 3hoy s LEU 606 N 1.47 1.29 -0.17 4.11 2.96 -0.95 0.04 118.68 127.44 3hoy s LEU 606 Ca -0.09 -1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 52.69 3hoy s LEU 606 Cb -0.05 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 3hoy s LEU 606 CO -0.17 -0.37 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.74 3hoy s ILE 607 N 1.86 2.94 -0.04 6.68 1.01 0.20 -0.42 121.20 133.42 3hoy s ILE 607 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.08 3hoy s ILE 607 Cb -0.17 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 3hoy s ILE 607 CO -0.19 0.50 -0.21 -0.63 0.00 0.00 0.00 174.94 174.41 3hoy s ILE 608 N 0.86 1.71 -0.97 2.92 1.01 -0.69 -0.00 121.20 126.05 3hoy s ILE 608 Ca -0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 3hoy s ILE 608 Cb -0.15 -1.45 0.08 0.00 0.01 0.00 0.00 42.46 40.95 3hoy s ILE 608 CO -0.00 0.48 0.30 -0.67 0.00 0.00 0.00 174.94 175.06 3hoy n ASP 609 N 2.89 -2.33 -1.29 3.58 2.03 -1.18 -0.46 116.55 119.79 3hoy n ASP 609 Ca -0.17 -0.24 -0.07 0.00 0.52 0.00 0.00 54.79 54.83 3hoy n ASP 609 Cb 0.52 -2.02 0.02 0.00 -0.72 0.00 0.00 41.12 38.93 3hoy n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hoy n GLY 610 N -0.88 0.38 2.74 0.27 0.00 -0.59 -4.15 105.19 102.96 3hoy n GLY 610 Ca 0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 3hoy n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hoy s GLN 611 N -5.13 0.04 -0.24 1.61 -1.52 0.39 -4.65 119.66 110.16 3hoy s GLN 611 Ca 0.14 0.24 -0.29 0.00 -1.95 0.00 0.00 55.36 53.50 3hoy s GLN 611 Cb -0.06 -0.44 -0.02 0.00 -0.22 0.00 0.00 33.01 32.27 3hoy s GLN 611 CO 0.17 -0.24 1.58 0.42 -0.25 0.00 0.00 175.29 176.97 3hoy s ILE 612 N 1.57 3.74 -0.10 1.08 1.01 -1.26 -1.71 121.20 125.53 3hoy s ILE 612 Ca -0.03 0.83 0.05 0.00 0.00 0.00 0.00 60.65 61.50 3hoy s ILE 612 Cb -0.13 -3.77 -0.24 0.00 0.01 0.00 0.00 42.46 38.34 3hoy s ILE 612 CO -0.03 -0.33 0.46 -0.38 0.00 0.00 0.00 174.94 174.66 3hoy n ILE 613 N 6.43 1.66 -3.56 2.92 5.41 0.43 -4.73 119.36 127.92 3hoy n ILE 613 Ca 0.18 -0.73 -0.10 0.00 1.00 0.00 0.00 62.75 63.10 3hoy n ILE 613 Cb 0.45 -1.30 -0.04 0.00 -0.71 0.00 0.00 39.64 38.04 3hoy n ILE 613 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3hoy s PHE 614 N -2.57 -0.37 0.00 1.39 -0.12 -1.17 -5.01 117.98 110.14 3hoy s PHE 614 Ca -0.14 0.55 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 3hoy s PHE 614 Cb 0.07 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 3hoy s PHE 614 CO 0.79 -0.39 0.00 0.41 -0.05 0.00 0.00 175.22 175.98 3hoy n GLY 615 N 0.51 1.91 3.76 1.99 0.00 -1.26 -2.23 105.19 109.88 3hoy n GLY 615 Ca -0.10 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3hoy n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoy s VAL 616 N -1.13 3.42 -0.33 1.61 1.01 -0.99 -4.89 120.40 119.09 3hoy s VAL 616 Ca 0.00 1.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 3hoy s VAL 616 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3hoy s VAL 616 CO 0.00 0.29 0.51 -0.69 0.00 0.00 0.00 175.10 175.20 3hoy s VAL 617 N -1.23 5.03 0.00 2.92 1.01 -1.26 -4.89 120.40 121.98 3hoy s VAL 617 Ca 0.47 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3hoy s VAL 617 Cb -0.31 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3hoy s VAL 617 CO 0.40 -0.14 0.00 -1.84 0.00 0.00 0.00 175.10 173.52 3hoy n GLU 618 N 5.69 0.00 -0.06 2.72 -0.00 -1.26 -3.27 120.64 124.46 3hoy n GLU 618 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.00 3hoy n GLU 618 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 31.44 31.86 3hoy n GLU 618 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3hoy h LYS 619 N 0.00 -0.36 -0.51 3.44 3.64 -1.69 -2.00 116.57 119.09 3hoy h LYS 619 Ca 0.00 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 3hoy h LYS 619 Cb 0.00 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3hoy h LYS 619 CO 0.00 -0.24 0.86 0.87 -2.27 0.00 0.00 179.45 178.67 3hoy h LYS 620 N -0.37 0.00 0.00 1.90 1.57 -1.95 0.32 116.57 118.05 3hoy h LYS 620 Ca 0.04 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.43 3hoy h LYS 620 Cb 0.48 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 3hoy h LYS 620 CO -0.40 0.00 -2.28 2.41 -0.57 0.00 0.00 179.45 178.61 3hoy n THR 621 N -3.14 1.52 -1.10 -0.16 -1.04 -0.81 -4.51 114.28 105.05 3hoy n THR 621 Ca 0.11 -0.30 0.03 0.00 -2.04 0.00 0.00 64.05 61.85 3hoy n THR 621 Cb 1.03 -1.96 0.26 0.00 -1.82 0.00 0.00 70.33 67.84 3hoy n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3hoy n VAL 622 N -4.29 2.48 -2.55 12.58 3.14 -0.88 0.36 118.33 129.17 3hoy n VAL 622 Ca -0.48 -2.01 0.00 0.00 -2.96 0.00 0.00 64.34 58.89 3hoy n VAL 622 Cb 0.83 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 3hoy n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hoy n GLY 623 N -0.55 1.85 1.90 7.55 0.00 0.11 -1.74 105.19 114.31 3hoy n GLY 623 Ca 0.28 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 3hoy n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hoy n SER 624 N -1.80 4.92 -4.75 1.61 3.41 -1.26 -4.65 113.62 111.10 3hoy n SER 624 Ca 0.00 -3.15 -0.29 0.00 -0.26 0.00 0.00 58.87 55.17 3hoy n SER 624 Cb 0.00 -0.85 0.14 0.00 -0.26 0.00 0.00 64.21 63.24 3hoy n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hoy s SER 625 N -0.49 3.42 0.00 4.04 1.04 -1.26 -4.38 113.70 116.07 3hoy s SER 625 Ca 0.39 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.77 3hoy s SER 625 Cb 0.32 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.94 3hoy s SER 625 CO 0.04 -2.60 0.67 0.59 0.98 0.00 0.00 173.24 172.91 3hoy n ASN 626 N -3.80 0.00 0.00 7.02 3.02 -1.26 -3.14 115.26 117.10 3hoy n ASN 626 Ca 0.07 0.68 0.04 0.00 -0.03 0.00 0.00 54.58 55.34 3hoy n ASN 626 Cb 0.59 -0.22 0.18 0.00 -0.61 0.00 0.00 39.78 39.72 3hoy n ASN 626 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hoy n GLY 627 N -0.50 -0.63 0.00 7.41 0.00 -1.26 -4.57 105.19 105.65 3hoy n GLY 627 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hoy n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hoy n GLY 628 N -0.66 0.00 0.37 -0.02 0.00 -1.19 -4.39 105.19 99.30 3hoy n GLY 628 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3hoy n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hoy h LEU 629 N 0.00 1.03 0.05 0.99 6.46 -0.39 -1.26 115.31 122.19 3hoy h LEU 629 Ca 0.00 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3hoy h LEU 629 Cb 0.00 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 3hoy h LEU 629 CO 0.00 0.67 -0.02 0.40 -0.62 0.00 0.00 178.44 178.86 3hoy h ILE 630 N 1.17 1.21 -0.47 4.05 2.04 -1.83 0.95 117.51 124.64 3hoy h ILE 630 Ca 0.42 -0.90 0.14 0.00 1.00 0.00 0.00 64.86 65.52 3hoy h ILE 630 Cb 0.15 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3hoy h ILE 630 CO -0.16 0.23 0.36 -0.74 0.00 0.00 0.00 178.15 177.84 3hoy h HIS 631 N -0.47 0.00 0.00 1.37 2.76 -1.71 -0.14 115.15 116.97 3hoy h HIS 631 Ca -0.01 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 3hoy h HIS 631 Cb 0.42 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3hoy h HIS 631 CO 0.06 0.00 -0.53 0.28 -1.30 0.00 0.00 177.93 176.44 3hoy h VAL 632 N 0.00 0.69 -0.57 5.26 2.07 -1.06 -3.19 116.25 119.45 3hoy h VAL 632 Ca 0.22 -1.67 0.14 0.00 0.82 0.00 0.00 66.70 66.22 3hoy h VAL 632 Cb 0.95 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3hoy h VAL 632 CO -0.00 0.23 0.40 0.58 0.02 0.00 0.00 177.57 178.80 3hoy h VAL 633 N -1.00 0.77 0.59 2.57 2.07 -0.57 0.65 116.25 121.33 3hoy h VAL 633 Ca -0.11 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3hoy h VAL 633 Cb 0.76 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3hoy h VAL 633 CO -0.07 0.02 -0.28 0.74 0.02 0.00 0.00 177.57 178.01 3hoy h THR 634 N 0.13 0.00 -0.70 2.57 2.02 -1.16 0.27 112.91 116.05 3hoy h THR 634 Ca 0.27 -0.41 0.07 0.00 0.77 0.00 0.00 66.41 67.12 3hoy h THR 634 Cb 0.91 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3hoy h THR 634 CO -0.04 0.00 0.46 0.03 0.37 0.00 0.00 175.52 176.34 3hoy h ARG 635 N -1.20 0.65 0.19 6.66 2.47 -1.41 0.11 114.38 121.86 3hoy h ARG 635 Ca -0.08 -0.04 -0.34 0.00 -1.26 0.00 0.00 59.98 58.26 3hoy h ARG 635 Cb 0.60 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.79 3hoy h ARG 635 CO 0.13 0.43 -1.63 1.49 0.56 0.00 0.00 179.97 180.95 3hoy h GLU 636 N 0.67 0.41 0.00 0.04 4.57 0.30 -3.41 114.58 117.16 3hoy h GLU 636 Ca 0.31 -0.70 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3hoy h GLU 636 Cb 0.33 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3hoy h GLU 636 CO -0.10 1.32 -0.72 1.63 -1.18 0.00 0.00 179.01 179.96 3hoy n LYS 637 N -3.60 2.93 0.00 1.92 4.76 0.96 -5.05 118.16 120.08 3hoy n LYS 637 Ca -0.21 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 3hoy n LYS 637 Cb 1.08 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 33.32 3hoy n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hoy n GLY 638 N 1.56 3.60 0.17 0.72 0.00 0.02 -4.50 105.19 106.76 3hoy n GLY 638 Ca 0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 3hoy n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hoy h PRO 639 N 0.00 0.25 -0.31 1.61 0.13 -1.87 -2.85 132.00 128.95 3hoy h PRO 639 Ca 0.00 -0.18 -0.14 0.00 -0.87 0.00 0.00 66.00 64.82 3hoy h PRO 639 Cb 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 3hoy h PRO 639 CO 0.00 0.79 -0.37 1.96 -0.23 0.00 0.00 178.00 180.16 3hoy h GLN 640 N 0.18 0.72 -0.08 0.86 1.08 -1.88 -2.63 115.11 113.35 3hoy h GLN 640 Ca -0.01 -0.35 -0.16 0.00 -1.45 0.00 0.00 58.65 56.67 3hoy h GLN 640 Cb 1.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 3hoy h GLN 640 CO 0.10 0.97 -0.66 0.28 -0.95 0.00 0.00 178.83 178.57 3hoy h VAL 641 N 0.60 1.38 -0.00 -0.54 2.07 -1.77 -3.09 116.25 114.89 3hoy h VAL 641 Ca 0.06 -2.05 -0.12 0.00 0.82 0.00 0.00 66.70 65.40 3hoy h VAL 641 Cb 0.90 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 3hoy h VAL 641 CO 0.08 0.61 -0.57 0.00 0.02 0.00 0.00 177.57 177.71 3hoy h ALA 643 N 1.41 0.89 -0.01 0.00 0.00 -1.41 -1.93 119.26 118.20 3hoy h ALA 643 Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3hoy h ALA 643 Cb 1.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hoy h ALA 643 CO 0.08 0.61 -0.43 -0.22 0.00 0.00 0.00 179.25 179.29 3hoy h LYS 644 N 1.01 0.03 -0.57 0.00 1.63 -1.42 -2.92 116.57 114.33 3hoy h LYS 644 Ca 0.21 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 3hoy h LYS 644 Cb 0.37 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 3hoy h LYS 644 CO 0.00 0.46 0.12 1.25 -3.45 0.00 0.00 179.45 177.83 3hoy h LEU 645 N 0.03 0.85 0.59 5.20 5.85 -0.56 -1.32 115.31 125.95 3hoy h LEU 645 Ca -0.00 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3hoy h LEU 645 Cb 0.78 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3hoy h LEU 645 CO 0.06 0.84 -0.30 -0.26 -0.34 0.00 0.00 178.44 178.44 3hoy h PHE 646 N 0.86 -0.77 -0.23 1.25 -1.00 -1.30 -0.62 116.94 115.12 3hoy h PHE 646 Ca 0.18 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.98 3hoy h PHE 646 Cb 0.34 0.26 -0.05 0.00 3.61 0.00 0.00 35.95 40.11 3hoy h PHE 646 CO 0.02 -0.47 -0.39 0.78 -1.61 0.00 0.00 178.31 176.64 3hoy h GLY 647 N -0.81 -1.29 -0.06 -1.45 0.00 -1.46 -0.75 103.07 97.26 3hoy h GLY 647 Ca -0.08 0.74 0.01 0.00 0.00 0.00 0.00 47.33 48.00 3hoy h GLY 647 CO 0.12 -0.31 -0.21 3.43 0.00 0.00 0.00 176.54 179.57 3hoy h ASN 648 N -0.31 -0.68 -0.86 0.19 4.21 -1.17 0.13 115.58 117.10 3hoy h ASN 648 Ca 0.04 0.08 0.19 0.00 1.21 0.00 0.00 56.30 57.82 3hoy h ASN 648 Cb 0.43 0.27 -0.16 0.00 -1.12 0.00 0.00 38.32 37.73 3hoy h ASN 648 CO -0.38 -0.19 -0.15 0.40 -1.29 0.00 0.00 177.43 175.82 3hoy h ILE 649 N -0.23 0.16 0.77 2.81 2.04 -0.92 -1.45 117.51 120.69 3hoy h ILE 649 Ca 0.01 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 3hoy h ILE 649 Cb 0.27 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hoy h ILE 649 CO -0.17 0.00 -0.37 1.56 0.00 0.00 0.00 178.15 179.17 3hoy h GLN 650 N 0.02 -1.00 -1.12 2.37 4.20 -0.38 -0.54 115.11 118.66 3hoy h GLN 650 Ca 0.44 0.07 0.31 0.00 0.06 0.00 0.00 58.65 59.53 3hoy h GLN 650 Cb 0.73 0.23 -0.07 0.00 0.30 0.00 0.00 27.48 28.66 3hoy h GLN 650 CO -0.86 -0.65 0.77 0.87 -0.67 0.00 0.00 178.83 178.29 3hoy h LYS 651 N -1.11 0.16 0.00 1.46 1.57 0.21 0.93 116.57 119.79 3hoy h LYS 651 Ca -0.11 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3hoy h LYS 651 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3hoy h LYS 651 CO 0.17 0.11 0.00 0.28 -0.57 0.00 0.00 179.45 179.44 3hoy n VAL 652 N -4.40 0.00 -0.31 0.50 0.31 -0.64 -2.78 118.33 111.01 3hoy n VAL 652 Ca 0.26 0.49 0.18 0.00 -0.01 0.00 0.00 64.34 65.26 3hoy n VAL 652 Cb 1.09 -1.42 0.44 0.00 -0.91 0.00 0.00 33.84 33.04 3hoy n VAL 652 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hoy h VAL 653 N 0.00 0.62 0.34 2.52 2.07 -0.89 -0.93 116.25 119.98 3hoy h VAL 653 Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3hoy h VAL 653 Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3hoy h VAL 653 CO 0.00 0.10 -0.16 0.78 0.02 0.00 0.00 177.57 178.30 3hoy h ASN 654 N 0.53 -0.39 -0.23 0.57 2.35 0.74 -0.83 115.58 118.32 3hoy h ASN 654 Ca 0.56 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 56.28 3hoy h ASN 654 Cb 1.21 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 39.62 3hoy h ASN 654 CO -0.31 -0.14 -0.16 0.15 -1.65 0.00 0.00 177.43 175.33 3hoy h PHE 655 N -0.64 -0.39 -0.44 1.19 3.57 -1.18 -0.14 116.94 118.91 3hoy h PHE 655 Ca -0.05 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.55 3hoy h PHE 655 Cb 0.46 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 3hoy h PHE 655 CO -0.01 -0.23 0.09 2.35 -2.23 0.00 0.00 178.31 178.28 3hoy h TRP 656 N -0.15 0.14 -0.64 0.41 7.01 -1.14 -1.61 115.95 119.97 3hoy h TRP 656 Ca 0.13 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3hoy h TRP 656 Cb 0.34 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 3hoy h TRP 656 CO -0.32 0.01 0.35 1.25 -2.79 0.00 0.00 178.44 176.93 3hoy h LEU 657 N 0.22 0.80 -1.67 0.65 5.85 -0.47 -1.47 115.31 119.22 3hoy h LEU 657 Ca 0.22 -0.10 0.38 0.00 0.84 0.00 0.00 57.88 59.22 3hoy h LEU 657 Cb 0.27 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 3hoy h LEU 657 CO -0.29 0.66 0.88 0.25 -0.34 0.00 0.00 178.44 179.61 3hoy h LEU 658 N 0.87 0.19 0.01 2.25 5.85 -0.03 0.78 115.31 125.23 3hoy h LEU 658 Ca 0.22 0.06 -0.33 0.00 0.84 0.00 0.00 57.88 58.67 3hoy h LEU 658 Cb 0.04 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3hoy h LEU 658 CO -0.04 -0.03 -2.00 1.41 -0.34 0.00 0.00 178.44 177.45 3hoy n HIS 659 N -4.40 0.62 0.08 1.25 8.25 -0.81 -4.17 115.22 116.04 3hoy n HIS 659 Ca 0.31 0.21 -0.09 0.00 -0.26 0.00 0.00 57.72 57.89 3hoy n HIS 659 Cb 1.30 -1.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 3hoy n HIS 659 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3hoy h ASN 660 N 0.01 0.26 -3.90 0.41 -1.24 -0.04 -3.50 115.58 107.59 3hoy h ASN 660 Ca -0.40 -0.22 0.07 0.00 0.71 0.00 0.00 56.30 56.45 3hoy h ASN 660 Cb 2.09 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 41.04 3hoy h ASN 660 CO 0.05 1.04 -0.15 0.61 -1.29 0.00 0.00 177.43 177.70 3hoy n GLY 661 N 0.96 -1.92 3.65 1.57 0.00 0.25 -5.06 105.19 104.63 3hoy n GLY 661 Ca -0.04 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 3hoy n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hoy s PHE 662 N -2.00 -0.16 0.00 1.61 5.36 -1.26 -4.97 117.98 116.55 3hoy s PHE 662 Ca 0.00 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3hoy s PHE 662 Cb 0.00 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 43.12 3hoy s PHE 662 CO 0.00 -0.08 0.00 0.45 -1.46 0.00 0.00 175.22 174.13 3hoy n SER 663 N 1.79 0.00 -3.64 6.13 2.88 -1.26 -5.18 113.62 114.34 3hoy n SER 663 Ca -0.11 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.36 3hoy n SER 663 Cb 0.57 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 3hoy n SER 663 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hoy s THR 664 N -0.88 0.00 0.20 2.46 -1.32 -1.26 -4.84 115.64 110.00 3hoy s THR 664 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 3hoy s THR 664 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 3hoy s THR 664 CO 0.00 0.00 0.55 -0.83 -2.21 0.00 0.00 174.62 172.13 3hoy s GLY 665 N 0.06 -0.13 0.37 6.08 0.00 -1.26 -5.01 107.32 107.42 3hoy s GLY 665 Ca 0.05 -0.17 0.17 0.00 0.00 0.00 0.00 44.72 44.77 3hoy s GLY 665 CO -0.09 -0.21 1.70 0.16 0.00 0.00 0.00 173.10 174.66 3hoy h ILE 666 N 2.16 0.39 -0.58 0.90 -0.00 -2.03 0.84 117.51 119.19 3hoy h ILE 666 Ca -0.28 -0.12 0.17 0.00 -0.00 0.00 0.00 64.86 64.62 3hoy h ILE 666 Cb 1.27 -0.00 -0.02 0.00 -0.00 0.00 0.00 36.82 38.06 3hoy h ILE 666 CO 0.36 0.07 0.96 1.23 -0.00 0.00 0.00 178.15 180.76 3hoy h GLY 667 N 0.36 0.00 0.98 0.16 0.00 -1.97 2.21 103.07 104.80 3hoy h GLY 667 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.02 3hoy h GLY 667 CO -0.45 0.00 -0.51 1.22 0.00 0.00 0.00 176.54 176.80 3hoy n ASP 668 N -3.10 0.51 -0.96 0.19 8.00 0.29 -3.65 116.55 117.83 3hoy n ASP 668 Ca 0.12 -0.27 0.11 0.00 0.71 0.00 0.00 54.79 55.47 3hoy n ASP 668 Cb 1.14 0.27 0.26 0.00 -0.02 0.00 0.00 41.12 42.76 3hoy n ASP 668 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hoy n THR 669 N -1.50 0.38 -3.59 -3.53 -2.24 0.74 -4.84 114.28 99.71 3hoy n THR 669 Ca 0.05 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 3hoy n THR 669 Cb 0.33 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 3hoy n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hoy s ILE 670 N -1.62 5.27 -0.14 2.28 1.01 -1.16 -4.35 121.20 122.49 3hoy s ILE 670 Ca 0.36 0.56 -0.05 0.00 0.00 0.00 0.00 60.65 61.52 3hoy s ILE 670 Cb 0.21 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3hoy s ILE 670 CO 0.30 0.48 0.04 0.00 0.00 0.00 0.00 174.94 175.75 3hoy s ALA 671 N -0.17 3.38 -0.38 9.38 0.00 -1.26 -5.00 121.76 127.71 3hoy s ALA 671 Ca 0.18 -0.76 -0.38 0.00 0.00 0.00 0.00 51.96 51.00 3hoy s ALA 671 Cb -0.14 -1.73 -0.16 0.00 0.00 0.00 0.00 23.12 21.09 3hoy s ALA 671 CO 0.06 0.38 1.27 -3.47 0.00 0.00 0.00 175.76 174.00 3hoy n ASP 672 N 2.87 0.91 -0.00 0.00 2.03 -1.26 -4.64 116.55 116.45 3hoy n ASP 672 Ca -0.18 0.97 -0.00 0.00 0.52 0.00 0.00 54.79 56.10 3hoy n ASP 672 Cb 0.53 -0.72 -0.00 0.00 -0.72 0.00 0.00 41.12 40.21 3hoy n ASP 672 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hoy n GLY 673 N 3.10 -0.03 0.14 0.27 0.00 -1.26 0.22 105.19 107.63 3hoy n GLY 673 Ca 0.25 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 3hoy n GLY 673 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hoy h PRO 674 N 0.00 0.29 -0.11 1.61 0.13 -2.00 -3.06 132.00 128.86 3hoy h PRO 674 Ca 0.00 -0.34 0.03 0.00 -0.87 0.00 0.00 66.00 64.83 3hoy h PRO 674 Cb 0.00 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 3hoy h PRO 674 CO -0.01 1.05 0.28 1.15 -0.23 0.00 0.00 178.00 180.24 3hoy h THR 675 N 0.16 0.16 0.08 1.56 2.02 -0.55 0.40 112.91 116.74 3hoy h THR 675 Ca -0.07 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.92 3hoy h THR 675 Cb 1.59 0.74 0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3hoy h THR 675 CO 0.15 0.00 -0.82 0.24 0.37 0.00 0.00 175.52 175.47 3hoy h MET 676 N 0.00 0.41 0.41 6.66 2.86 -1.36 -2.82 114.93 121.08 3hoy h MET 676 Ca 0.05 -0.55 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 3hoy h MET 676 Cb 0.61 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3hoy h MET 676 CO -0.00 1.22 -0.29 -0.09 1.06 0.00 0.00 176.91 178.81 3hoy h ARG 677 N -0.14 -0.66 0.00 1.72 2.43 -0.40 0.30 114.38 117.63 3hoy h ARG 677 Ca -0.13 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3hoy h ARG 677 Cb 1.57 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 3hoy h ARG 677 CO 0.16 -0.44 0.48 1.49 -1.51 0.00 0.00 179.97 180.15 3hoy h GLU 678 N -0.68 0.00 0.05 0.20 4.81 -0.78 0.23 114.58 118.41 3hoy h GLU 678 Ca -0.04 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.84 3hoy h GLU 678 Cb 0.58 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3hoy h GLU 678 CO 0.02 0.00 -2.00 -0.89 -0.73 0.00 0.00 179.01 175.40 3hoy n ILE 679 N -2.71 1.62 -0.22 2.32 5.41 -0.05 -3.36 119.36 122.37 3hoy n ILE 679 Ca -0.01 -0.45 0.01 0.00 1.00 0.00 0.00 62.75 63.30 3hoy n ILE 679 Cb 0.52 -1.76 0.13 0.00 -0.71 0.00 0.00 39.64 37.81 3hoy n ILE 679 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3hoy h THR 680 N -0.36 0.77 -0.15 1.39 2.02 0.27 -0.11 112.91 116.75 3hoy h THR 680 Ca -0.48 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 3hoy h THR 680 Cb 1.77 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3hoy h THR 680 CO -0.10 0.08 -0.03 1.05 0.37 0.00 0.00 175.52 176.90 3hoy h GLU 681 N 0.47 0.28 -0.93 6.66 4.11 -1.37 -1.50 114.58 122.29 3hoy h GLU 681 Ca 0.34 -0.10 0.18 0.00 0.07 0.00 0.00 59.36 59.85 3hoy h GLU 681 Cb 0.42 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.57 3hoy h GLU 681 CO -0.31 0.55 0.60 1.15 0.07 0.00 0.00 179.01 181.06 3hoy h THR 682 N -0.02 0.73 0.44 -1.06 2.02 -1.31 0.89 112.91 114.60 3hoy h THR 682 Ca 0.04 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3hoy h THR 682 Cb 0.44 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3hoy h THR 682 CO 0.01 0.10 -0.21 0.40 0.37 0.00 0.00 175.52 176.20 3hoy h ILE 683 N 0.57 0.37 0.00 3.11 2.04 -0.91 -3.07 117.51 119.62 3hoy h ILE 683 Ca 0.49 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3hoy h ILE 683 Cb 0.99 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3hoy h ILE 683 CO -0.23 0.07 0.00 0.00 0.00 0.00 0.00 178.15 177.99 3hoy n ALA 684 N -2.60 0.00 -0.31 1.87 0.00 0.12 -0.91 120.51 118.68 3hoy n ALA 684 Ca -0.10 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.51 3hoy n ALA 684 Cb 0.29 0.40 0.42 0.00 0.00 0.00 0.00 19.45 20.56 3hoy n ALA 684 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3hoy h GLU 685 N 0.00 0.56 0.00 0.00 -0.00 -1.18 1.43 114.58 115.39 3hoy h GLU 685 Ca 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.32 3hoy h GLU 685 Cb 0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 28.75 28.62 3hoy h GLU 685 CO 0.00 0.37 -0.02 0.00 -0.00 0.00 0.00 179.01 179.37 3hoy h ALA 686 N 1.63 1.03 0.07 1.06 0.00 -0.92 0.35 119.26 122.48 3hoy h ALA 686 Ca 0.55 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.19 3hoy h ALA 686 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hoy h ALA 686 CO -0.30 0.02 -1.11 0.87 0.00 0.00 0.00 179.25 178.74 3hoy h LYS 687 N 0.00 0.35 0.40 0.00 1.57 0.34 -3.18 116.57 116.05 3hoy h LYS 687 Ca -0.00 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3hoy h LYS 687 Cb 0.30 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hoy h LYS 687 CO 0.00 1.17 -0.19 0.87 -0.57 0.00 0.00 179.45 180.73 3hoy h LYS 688 N 0.15 -0.51 -1.65 3.15 1.57 0.66 -1.57 116.57 118.37 3hoy h LYS 688 Ca -0.11 0.03 0.48 0.00 -1.87 0.00 0.00 60.65 59.18 3hoy h LYS 688 Cb 1.79 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 34.15 3hoy h LYS 688 CO 0.19 -0.27 1.27 -0.22 -0.57 0.00 0.00 179.45 179.84 3hoy h LYS 689 N -0.66 0.00 0.00 3.15 3.64 -0.75 0.77 116.57 122.72 3hoy h LYS 689 Ca -0.05 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3hoy h LYS 689 Cb 0.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3hoy h LYS 689 CO 0.09 0.00 -0.42 0.28 -2.27 0.00 0.00 179.45 177.13 3hoy h VAL 690 N 0.00 0.99 -1.01 2.00 2.07 -1.32 -3.02 116.25 115.96 3hoy h VAL 690 Ca 0.79 -1.88 0.24 0.00 0.82 0.00 0.00 66.70 66.66 3hoy h VAL 690 Cb 3.31 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 35.00 3hoy h VAL 690 CO -0.01 0.34 0.64 0.25 0.02 0.00 0.00 177.57 178.81 3hoy h LEU 691 N -1.00 0.53 0.00 2.57 5.85 -0.02 0.71 115.31 123.95 3hoy h LEU 691 Ca -0.10 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hoy h LEU 691 Cb 0.84 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3hoy h LEU 691 CO -0.06 0.13 0.00 0.47 -0.34 0.00 0.00 178.44 178.64 3hoy n ASP 692 N -4.67 0.00 0.31 1.25 9.92 0.02 -0.91 116.55 122.47 3hoy n ASP 692 Ca 0.24 0.37 0.07 0.00 -0.53 0.00 0.00 54.79 54.94 3hoy n ASP 692 Cb 0.78 0.00 0.36 0.00 -0.64 0.00 0.00 41.12 41.62 3hoy n ASP 692 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3hoy h VAL 693 N 0.00 0.00 -0.09 2.53 2.07 -1.33 0.70 116.25 120.14 3hoy h VAL 693 Ca 0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 3hoy h VAL 693 Cb 0.00 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3hoy h VAL 693 CO 0.00 0.00 -0.87 0.74 0.02 0.00 0.00 177.57 177.46 3hoy h THR 694 N 0.00 1.30 0.17 2.57 2.02 0.92 -3.02 112.91 116.87 3hoy h THR 694 Ca 0.00 -2.11 -0.23 0.00 0.77 0.00 0.00 66.41 64.84 3hoy h THR 694 Cb 1.34 2.15 0.03 0.00 -1.74 0.00 0.00 68.15 69.92 3hoy h THR 694 CO 0.00 0.66 -0.99 0.11 0.37 0.00 0.00 175.52 175.67 3hoy h LYS 695 N 0.44 0.37 0.00 6.66 1.57 0.23 -3.03 116.57 122.81 3hoy h LYS 695 Ca -0.08 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 3hoy h LYS 695 Cb 1.50 0.23 0.00 0.00 0.08 0.00 0.00 32.23 34.04 3hoy h LYS 695 CO 0.17 1.30 0.13 -1.91 -0.57 0.00 0.00 179.45 178.57 3hoy n GLU 696 N -4.02 0.00 -0.00 3.15 2.13 -0.34 0.98 120.64 122.54 3hoy n GLU 696 Ca -0.15 0.28 0.02 0.00 0.66 0.00 0.00 57.16 57.98 3hoy n GLU 696 Cb 0.90 -1.63 -0.03 0.00 0.27 0.00 0.00 31.44 30.95 3hoy n GLU 696 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hoy n ALA 697 N -1.25 2.49 0.11 4.31 0.00 -1.14 -2.89 120.51 122.14 3hoy n ALA 697 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.42 3hoy n ALA 697 Cb 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.42 3hoy n ALA 697 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hoy h GLN 698 N 0.00 0.00 0.00 0.00 4.20 0.75 -3.26 115.11 116.80 3hoy h GLN 698 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 3hoy h GLN 698 Cb 0.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3hoy h GLN 698 CO 0.00 0.00 -1.00 0.00 -0.67 0.00 0.00 178.83 177.16 3hoy h ALA 699 N 2.00 0.58 0.00 3.87 0.00 -1.10 -3.48 119.26 121.13 3hoy h ALA 699 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3hoy h ALA 699 Cb 1.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hoy h ALA 699 CO 0.00 1.01 0.00 -1.71 0.00 0.00 0.00 179.25 178.55 3hoy n ASN 700 N -3.18 -0.96 -3.69 0.00 5.15 -1.23 -5.01 115.26 106.34 3hoy n ASN 700 Ca -0.03 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.53 3hoy n ASN 700 Cb 0.86 -0.16 0.01 0.00 -0.53 0.00 0.00 39.78 39.96 3hoy n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hoy n LEU 701 N 0.00 7.31 -3.98 1.20 4.77 -1.14 -4.96 117.00 120.21 3hoy n LEU 701 Ca 0.00 -5.15 -0.09 0.00 -0.03 0.00 0.00 56.01 50.74 3hoy n LEU 701 Cb 0.00 -1.27 -0.10 0.00 -2.33 0.00 0.00 43.42 39.72 3hoy n LEU 701 CO 0.00 1.92 -0.27 -0.76 -1.33 0.00 0.00 177.39 176.95 3hoy s LEU 702 N -3.04 2.03 -0.31 2.23 1.43 -1.25 -4.76 118.68 115.01 3hoy s LEU 702 Ca 0.42 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 3hoy s LEU 702 Cb 0.15 0.45 -0.01 0.00 0.03 0.00 0.00 46.19 46.81 3hoy s LEU 702 CO -0.06 -0.52 0.14 -0.89 0.23 0.00 0.00 176.35 175.25 3hoy s THR 703 N -2.87 4.49 -0.58 5.49 2.01 -1.26 -5.05 115.64 117.87 3hoy s THR 703 Ca -0.03 -0.46 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 3hoy s THR 703 Cb 0.00 -3.29 -0.00 0.00 0.01 0.00 0.00 72.50 69.22 3hoy s THR 703 CO -0.06 0.08 1.61 0.00 -0.69 0.00 0.00 174.62 175.56 3hoy s ALA 704 N 1.60 2.56 -0.18 7.40 0.00 -1.26 -4.93 121.76 126.94 3hoy s ALA 704 Ca 0.04 -0.66 -0.35 0.00 0.00 0.00 0.00 51.96 50.99 3hoy s ALA 704 Cb -0.17 -4.19 -0.12 0.00 0.00 0.00 0.00 23.12 18.64 3hoy s ALA 704 CO 0.06 -3.33 1.94 1.63 0.00 0.00 0.00 175.76 176.06 3hoy n LYS 705 N 8.94 1.77 -0.53 0.00 5.02 -1.26 -4.70 118.16 127.40 3hoy n LYS 705 Ca 0.15 0.62 -0.24 0.00 -2.02 0.00 0.00 58.31 56.82 3hoy n LYS 705 Cb 0.50 -2.55 -0.04 0.00 -0.02 0.00 0.00 35.03 32.91 3hoy n LYS 705 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3hoy n HIS 706 N 7.41 0.50 0.00 2.13 -0.00 -1.26 -0.41 115.22 123.59 3hoy n HIS 706 Ca 0.27 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.33 3hoy n HIS 706 Cb 0.26 -0.86 0.00 0.00 -0.00 0.00 0.00 29.99 29.39 3hoy n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hoy n GLY 707 N 2.47 2.49 3.83 1.57 0.00 -1.26 -4.95 105.19 109.34 3hoy n GLY 707 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3hoy n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hoy s MET 708 N -0.71 2.55 0.46 1.61 1.00 0.45 -5.13 119.30 119.52 3hoy s MET 708 Ca 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 55.69 54.19 3hoy s MET 708 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 34.83 32.46 3hoy s MET 708 CO 0.00 -0.01 0.73 0.99 0.00 0.00 0.00 175.02 176.73 3hoy s THR 709 N -2.41 4.75 0.20 2.05 2.01 -1.26 -4.64 115.64 116.34 3hoy s THR 709 Ca 0.43 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.28 3hoy s THR 709 Cb -0.04 -3.79 0.13 0.00 0.01 0.00 0.00 72.50 68.82 3hoy s THR 709 CO 0.26 -0.69 1.80 -0.07 -0.69 0.00 0.00 174.62 175.22 3hoy h LEU 710 N 0.33 0.93 0.79 4.42 4.07 -1.95 0.15 115.31 124.06 3hoy h LEU 710 Ca -0.47 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 57.33 3hoy h LEU 710 Cb 1.22 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 3hoy h LEU 710 CO 0.61 0.79 -0.46 -0.09 -1.08 0.00 0.00 178.44 178.21 3hoy h ARG 711 N 1.01 -1.12 -0.52 1.13 9.65 -1.99 0.18 114.38 122.71 3hoy h ARG 711 Ca 0.25 0.08 0.11 0.00 -1.10 0.00 0.00 59.98 59.31 3hoy h ARG 711 Cb 0.10 0.25 -0.10 0.00 -1.39 0.00 0.00 29.97 28.83 3hoy h ARG 711 CO -0.03 -0.75 -0.15 0.93 2.80 0.00 0.00 179.97 182.77 3hoy h GLU 712 N -1.16 -0.02 -0.73 0.20 5.08 -1.88 0.16 114.58 116.22 3hoy h GLU 712 Ca -0.11 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3hoy h GLU 712 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 3hoy h GLU 712 CO 0.12 -0.01 0.48 0.77 -1.00 0.00 0.00 179.01 179.37 3hoy h SER 713 N -0.02 0.68 0.39 1.42 0.02 -0.48 -2.17 113.55 113.39 3hoy h SER 713 Ca 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3hoy h SER 713 Cb 0.41 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3hoy h SER 713 CO -0.55 0.44 -0.19 0.15 -1.14 0.00 0.00 176.83 175.54 3hoy h PHE 714 N 0.77 -0.50 -0.27 3.45 3.57 0.23 -3.11 116.94 121.08 3hoy h PHE 714 Ca 0.31 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 3hoy h PHE 714 Cb 0.25 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 3hoy h PHE 714 CO -0.00 -0.31 -0.41 0.93 -2.23 0.00 0.00 178.31 176.29 3hoy h GLU 715 N -0.53 -0.38 -1.18 1.11 4.39 -1.34 -1.13 114.58 115.52 3hoy h GLU 715 Ca -0.05 0.03 0.41 0.00 0.34 0.00 0.00 59.36 60.09 3hoy h GLU 715 Cb 0.41 0.09 -0.15 0.00 -0.10 0.00 0.00 28.75 29.00 3hoy h GLU 715 CO 0.09 -0.25 0.72 0.22 -1.16 0.00 0.00 179.01 178.62 3hoy h ASP 716 N -0.40 0.31 0.39 1.42 1.82 -1.46 0.33 116.42 118.84 3hoy h ASP 716 Ca 0.11 0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.91 3hoy h ASP 716 Cb 0.60 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.78 3hoy h ASP 716 CO -0.48 -0.26 -0.19 0.78 -1.61 0.00 0.00 179.24 177.49 3hoy h ASN 717 N 0.10 -0.45 -0.24 2.28 2.35 -1.16 -2.81 115.58 115.66 3hoy h ASN 717 Ca 0.82 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.59 3hoy h ASN 717 Cb 2.35 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 40.80 3hoy h ASN 717 CO -0.56 -0.01 -0.14 0.52 -1.65 0.00 0.00 177.43 175.59 3hoy n VAL 718 N -5.13 -0.16 -0.07 2.81 0.31 0.93 -0.62 118.33 116.40 3hoy n VAL 718 Ca -0.07 1.31 -0.09 0.00 -0.01 0.00 0.00 64.34 65.48 3hoy n VAL 718 Cb 0.22 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 3hoy n VAL 718 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hoy h VAL 719 N 0.00 0.00 -0.17 2.52 2.07 -1.05 0.70 116.25 120.32 3hoy h VAL 719 Ca 0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3hoy h VAL 719 Cb 0.10 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3hoy h VAL 719 CO -0.22 0.00 0.32 -0.09 0.02 0.00 0.00 177.57 177.60 3hoy h ARG 720 N -0.29 0.00 -0.02 1.57 2.43 -0.90 0.49 114.38 117.65 3hoy h ARG 720 Ca 0.04 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3hoy h ARG 720 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hoy h ARG 720 CO -0.38 0.00 -0.20 0.74 -1.51 0.00 0.00 179.97 178.62 3hoy h PHE 721 N 0.00 0.25 -0.76 2.20 0.05 0.14 -2.58 116.94 116.25 3hoy h PHE 721 Ca 0.08 -0.12 -0.04 0.00 3.82 0.00 0.00 57.97 61.71 3hoy h PHE 721 Cb 0.72 -0.04 -0.03 0.00 2.00 0.00 0.00 35.95 38.60 3hoy h PHE 721 CO 0.00 0.86 0.32 -0.07 -0.18 0.00 0.00 178.31 179.24 3hoy h LEU 722 N -0.43 1.03 0.85 1.54 3.38 0.15 -2.04 115.31 119.78 3hoy h LEU 722 Ca -0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3hoy h LEU 722 Cb 0.90 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.39 3hoy h LEU 722 CO 0.04 0.91 -0.41 0.78 0.09 0.00 0.00 178.44 179.85 3hoy h ASN 723 N 1.08 -0.96 -1.32 -0.43 2.35 -1.09 -1.81 115.58 113.40 3hoy h ASN 723 Ca 0.25 0.03 0.38 0.00 -0.55 0.00 0.00 56.30 56.42 3hoy h ASN 723 Cb 0.19 0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 3hoy h ASN 723 CO -0.02 -0.66 0.93 -0.33 -1.65 0.00 0.00 177.43 175.70 3hoy h GLU 724 N -1.20 0.05 0.48 0.81 5.08 -1.41 0.20 114.58 118.59 3hoy h GLU 724 Ca -0.12 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3hoy h GLU 724 Cb 0.87 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3hoy h GLU 724 CO 0.19 0.03 -0.23 0.00 -1.00 0.00 0.00 179.01 178.00 3hoy h ALA 725 N 1.37 -0.65 -0.23 3.43 0.00 -0.96 -3.04 119.26 119.19 3hoy h ALA 725 Ca 0.65 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.43 3hoy h ALA 725 Cb 2.47 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 20.45 3hoy h ALA 725 CO -0.07 -0.67 -0.21 -0.09 0.00 0.00 0.00 179.25 178.21 3hoy h ARG 726 N -1.04 -0.21 -0.01 0.00 2.43 0.18 0.28 114.38 116.00 3hoy h ARG 726 Ca -0.07 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3hoy h ARG 726 Cb 0.59 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 3hoy h ARG 726 CO 0.11 -0.14 -0.51 -0.44 -1.51 0.00 0.00 179.97 177.48 3hoy h ASP 727 N -0.22 -1.59 -0.46 -3.80 5.19 -1.22 0.95 116.42 115.27 3hoy h ASP 727 Ca 0.13 0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.67 3hoy h ASP 727 Cb 0.42 0.60 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 3hoy h ASP 727 CO -0.36 -0.49 0.11 0.07 -3.12 0.00 0.00 179.24 175.45 3hoy h LYS 728 N -0.63 0.81 -0.37 3.56 2.10 -1.40 0.47 116.57 121.11 3hoy h LYS 728 Ca 0.01 -0.17 0.08 0.00 -2.00 0.00 0.00 60.65 58.57 3hoy h LYS 728 Cb 0.68 -0.12 -0.08 0.00 -0.90 0.00 0.00 32.23 31.81 3hoy h LYS 728 CO -0.35 0.75 -0.18 0.00 -2.00 0.00 0.00 179.45 177.67 3hoy h ALA 729 N 1.34 0.10 0.72 0.07 0.00 0.76 0.30 119.26 122.55 3hoy h ALA 729 Ca 0.17 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3hoy h ALA 729 Cb 0.32 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hoy h ALA 729 CO 0.00 -0.55 -0.35 0.78 0.00 0.00 0.00 179.25 179.14 3hoy h GLY 730 N -0.11 -1.01 -0.42 0.00 0.00 0.17 -2.84 103.07 98.87 3hoy h GLY 730 Ca 0.18 0.37 0.22 0.00 0.00 0.00 0.00 47.33 48.11 3hoy h GLY 730 CO -0.44 -0.37 1.00 -0.09 0.00 0.00 0.00 176.54 176.64 3hoy h ARG 731 N -1.16 0.00 0.78 4.80 2.43 0.49 1.36 114.38 123.08 3hoy h ARG 731 Ca -0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 3hoy h ARG 731 Cb 0.74 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3hoy h ARG 731 CO 0.16 0.00 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.18 3hoy h LEU 732 N 0.00 -0.89 -0.10 3.80 3.38 -0.17 -2.85 115.31 118.48 3hoy h LEU 732 Ca 0.35 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.38 3hoy h LEU 732 Cb 2.35 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 43.26 3hoy h LEU 732 CO -0.00 -0.58 -0.42 0.00 0.09 0.00 0.00 178.44 177.52 3hoy h ALA 733 N -0.99 -0.61 -0.81 1.53 0.00 0.17 -2.60 119.26 115.95 3hoy h ALA 733 Ca -0.11 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.95 3hoy h ALA 733 Cb 0.82 0.78 -0.15 0.00 0.00 0.00 0.00 17.79 19.23 3hoy h ALA 733 CO 0.18 -0.93 -0.20 -1.91 0.00 0.00 0.00 179.25 176.38 3hoy n GLU 734 N -5.44 -0.07 0.12 0.00 2.13 -0.80 0.70 120.64 117.28 3hoy n GLU 734 Ca -0.04 1.27 -0.01 0.00 0.66 0.00 0.00 57.16 59.03 3hoy n GLU 734 Cb 0.36 -1.90 0.11 0.00 0.27 0.00 0.00 31.44 30.29 3hoy n GLU 734 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 3hoy h VAL 735 N 0.00 1.39 0.00 6.31 -1.51 -1.24 -3.16 116.25 118.05 3hoy h VAL 735 Ca 0.39 -2.37 0.00 0.00 -1.23 0.00 0.00 66.70 63.49 3hoy h VAL 735 Cb 0.59 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3hoy h VAL 735 CO -0.84 0.66 0.00 -3.20 -1.23 0.00 0.00 177.57 172.96 3hoy n ASN 736 N -3.61 0.00 -4.59 4.19 2.85 0.22 -4.66 115.26 109.67 3hoy n ASN 736 Ca -0.01 0.43 -0.41 0.00 -0.11 0.00 0.00 54.58 54.49 3hoy n ASN 736 Cb 0.69 -0.47 -0.07 0.00 1.24 0.00 0.00 39.78 41.17 3hoy n ASN 736 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3hoy s LEU 737 N -2.94 4.19 0.98 1.20 1.43 -0.95 -4.79 118.68 117.82 3hoy s LEU 737 Ca 0.11 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3hoy s LEU 737 Cb 0.13 -2.76 0.17 0.00 0.03 0.00 0.00 46.19 43.76 3hoy s LEU 737 CO 0.35 -0.49 1.05 0.29 0.23 0.00 0.00 176.35 177.77 3hoy n LYS 738 N 5.87 -0.94 0.00 1.70 4.01 -1.26 -4.78 118.16 122.76 3hoy n LYS 738 Ca -0.02 -0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.56 3hoy n LYS 738 Cb 0.49 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.72 3hoy n LYS 738 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3hoy n ASP 739 N -4.19 0.25 -0.03 4.39 9.92 -1.26 -0.96 116.55 124.67 3hoy n ASP 739 Ca 0.09 -1.02 0.04 0.00 -0.53 0.00 0.00 54.79 53.38 3hoy n ASP 739 Cb 0.53 -0.12 -0.13 0.00 -0.64 0.00 0.00 41.12 40.75 3hoy n ASP 739 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hoy n LEU 740 N -0.13 0.00 -4.68 0.64 -0.00 -1.26 -4.82 117.00 106.74 3hoy n LEU 740 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 3hoy n LEU 740 Cb 0.06 0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.57 3hoy n LEU 740 CO 0.00 0.12 1.54 -3.20 -0.00 0.00 0.00 177.39 175.84 3hoy n ASN 741 N -2.25 4.09 0.02 1.45 4.05 -0.14 -4.85 115.26 117.64 3hoy n ASN 741 Ca -0.10 0.95 -0.11 0.00 0.45 0.00 0.00 54.58 55.77 3hoy n ASN 741 Cb 0.62 -1.53 -0.06 0.00 1.23 0.00 0.00 39.78 40.04 3hoy n ASN 741 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 3hoy h ASN 742 N 9.48 -0.07 -0.89 1.20 2.35 -1.89 0.34 115.58 126.11 3hoy h ASN 742 Ca -0.48 0.02 0.13 0.00 -0.55 0.00 0.00 56.30 55.42 3hoy h ASN 742 Cb 1.23 0.04 -0.09 0.00 0.05 0.00 0.00 38.32 39.55 3hoy h ASN 742 CO 0.94 -0.03 0.50 0.58 -1.65 0.00 0.00 177.43 177.78 3hoy h VAL 743 N -0.01 0.82 -0.07 2.81 2.07 -1.89 0.60 116.25 120.57 3hoy h VAL 743 Ca 0.03 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3hoy h VAL 743 Cb 0.05 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3hoy h VAL 743 CO -0.06 0.14 -0.50 0.50 0.02 0.00 0.00 177.57 177.67 3hoy h LYS 744 N 0.76 0.19 0.00 1.57 3.64 -1.78 -2.18 116.57 118.77 3hoy h LYS 744 Ca 0.46 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 3hoy h LYS 744 Cb 0.56 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3hoy h LYS 744 CO -0.31 0.65 -0.18 0.37 -2.27 0.00 0.00 179.45 177.71 3hoy h GLN 745 N 0.15 0.00 0.07 1.90 4.15 0.40 -1.48 115.11 120.31 3hoy h GLN 745 Ca 0.01 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 3hoy h GLN 745 Cb 0.93 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 3hoy h GLN 745 CO 0.07 0.18 -1.63 0.52 -1.93 0.00 0.00 178.83 176.04 3hoy h MET 746 N 0.00 0.14 0.00 1.69 2.86 -0.05 -3.04 114.93 116.53 3hoy h MET 746 Ca -0.00 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 3hoy h MET 746 Cb 0.67 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3hoy h MET 746 CO 0.02 0.90 -0.38 0.28 1.06 0.00 0.00 176.91 178.80 3hoy h VAL 747 N 0.04 1.19 -0.08 -2.22 2.07 -1.17 -1.96 116.25 114.12 3hoy h VAL 747 Ca -0.27 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 3hoy h VAL 747 Cb 2.00 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 3hoy h VAL 747 CO 0.12 0.37 -0.19 0.24 0.02 0.00 0.00 177.57 178.13 3hoy h MET 748 N 0.00 0.28 -0.38 1.57 2.07 -1.35 -3.11 114.93 114.01 3hoy h MET 748 Ca -0.00 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.44 3hoy h MET 748 Cb 0.70 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.44 3hoy h MET 748 CO 0.05 0.78 0.25 0.00 1.07 0.00 0.00 176.91 179.06 3hoy h ALA 749 N 0.49 1.73 0.00 6.32 0.00 -1.40 -3.44 119.26 122.96 3hoy h ALA 749 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hoy h ALA 749 Cb 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hoy h ALA 749 CO 0.04 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.95 3hoy n GLY 750 N -1.48 0.71 0.09 0.00 0.00 -0.76 -1.98 105.19 101.77 3hoy n GLY 750 Ca 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.41 3hoy n GLY 750 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hoy n SER 751 N 1.25 0.67 -3.63 1.61 3.41 -1.07 -4.85 113.62 111.00 3hoy n SER 751 Ca 0.00 0.29 -0.03 0.00 -0.26 0.00 0.00 58.87 58.86 3hoy n SER 751 Cb 0.08 0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 3hoy n SER 751 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hoy s LYS 752 N -3.00 0.14 0.23 4.33 -0.14 -1.21 -4.62 119.74 115.46 3hoy s LYS 752 Ca -0.04 0.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.62 3hoy s LYS 752 Cb 0.09 0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.31 3hoy s LYS 752 CO 0.82 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.78 3hoy n GLY 753 N 0.72 -2.80 3.13 -3.33 0.00 -1.26 -3.07 105.19 98.57 3hoy n GLY 753 Ca -0.03 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 3hoy n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hoy n SER 754 N -2.93 -1.82 0.00 1.61 3.41 -1.26 -4.50 113.62 108.12 3hoy n SER 754 Ca -0.03 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 3hoy n SER 754 Cb 0.26 3.07 0.00 0.00 -0.26 0.00 0.00 64.21 67.28 3hoy n SER 754 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hoy n PHE 755 N -0.46 0.00 -0.17 7.33 7.35 -1.26 -1.27 117.46 128.98 3hoy n PHE 755 Ca -0.06 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.79 3hoy n PHE 755 Cb 0.50 -0.07 0.31 0.00 0.35 0.00 0.00 39.48 40.56 3hoy n PHE 755 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3hoy n ILE 756 N -1.26 -0.21 0.19 -2.13 2.08 -1.26 -0.31 119.36 116.46 3hoy n ILE 756 Ca 0.00 1.04 -0.08 0.00 0.56 0.00 0.00 62.75 64.27 3hoy n ILE 756 Cb 0.00 -1.69 -0.04 0.00 -0.75 0.00 0.00 39.64 37.16 3hoy n ILE 756 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3hoy h ASN 757 N 0.00 -0.42 -0.96 4.38 2.35 -1.61 0.45 115.58 119.78 3hoy h ASN 757 Ca 0.44 0.01 0.30 0.00 -0.55 0.00 0.00 56.30 56.50 3hoy h ASN 757 Cb 1.17 0.11 -0.16 0.00 0.05 0.00 0.00 38.32 39.49 3hoy h ASN 757 CO -0.39 -0.27 0.36 0.40 -1.65 0.00 0.00 177.43 175.88 3hoy h ILE 758 N -0.55 0.20 0.00 2.81 2.04 -0.61 -0.03 117.51 121.37 3hoy h ILE 758 Ca -0.05 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hoy h ILE 758 Cb 0.38 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3hoy h ILE 758 CO 0.08 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.26 3hoy n ALA 759 N -2.57 -0.40 0.28 1.87 0.00 -0.79 -1.32 120.51 117.57 3hoy n ALA 759 Ca 0.28 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.90 3hoy n ALA 759 Cb 0.90 0.07 0.90 0.00 0.00 0.00 0.00 19.45 21.32 3hoy n ALA 759 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hoy h GLN 760 N 0.00 0.00 0.01 0.00 4.20 0.07 0.19 115.11 119.58 3hoy h GLN 760 Ca 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 3hoy h GLN 760 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3hoy h GLN 760 CO 0.00 0.00 -1.60 0.52 -0.67 0.00 0.00 178.83 177.08 3hoy h MET 761 N 0.00 0.01 0.00 1.46 2.86 -0.89 -1.07 114.93 117.30 3hoy h MET 761 Ca 0.04 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 3hoy h MET 761 Cb 0.53 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3hoy h MET 761 CO -0.00 0.61 -1.67 0.43 1.06 0.00 0.00 176.91 177.34 3hoy n SER 762 N -3.12 3.05 0.00 1.22 7.64 -0.44 -1.94 113.62 120.04 3hoy n SER 762 Ca -0.14 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3hoy n SER 762 Cb 1.03 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 3hoy n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hoy n ALA 763 N -2.81 0.00 -3.06 -0.43 0.00 0.62 -4.79 120.51 110.04 3hoy n ALA 763 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 3hoy n ALA 763 Cb 0.73 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.06 3hoy n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hoy h VAL 765 N 4.84 0.53 0.00 0.00 2.07 -0.40 -3.31 116.25 119.99 3hoy h VAL 765 Ca -0.25 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3hoy h VAL 765 Cb 1.20 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hoy h VAL 765 CO 0.39 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.64 3hoy n GLY 766 N -0.86 2.75 3.69 2.17 0.00 -0.64 -4.77 105.19 107.54 3hoy n GLY 766 Ca -0.11 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 3hoy n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hoy s GLN 767 N -2.57 4.13 0.26 1.61 2.00 -1.26 -2.76 119.66 121.07 3hoy s GLN 767 Ca 0.00 2.62 -0.16 0.00 -2.00 0.00 0.00 55.36 55.82 3hoy s GLN 767 Cb 0.00 -3.56 -0.08 0.00 0.80 0.00 0.00 33.01 30.17 3hoy s GLN 767 CO 0.00 -0.85 0.70 -1.14 -0.50 0.00 0.00 175.29 173.50 3hoy s GLN 768 N 2.65 4.06 0.18 1.67 2.00 0.49 -4.92 119.66 125.79 3hoy s GLN 768 Ca 0.81 0.68 -0.04 0.00 -2.00 0.00 0.00 55.36 54.81 3hoy s GLN 768 Cb -0.47 -2.65 -0.03 0.00 0.80 0.00 0.00 33.01 30.67 3hoy s GLN 768 CO 0.36 0.28 0.20 -1.54 -0.50 0.00 0.00 175.29 174.09 3hoy s SER 769 N -2.02 0.13 -0.18 6.67 1.04 -1.26 -4.17 113.70 113.91 3hoy s SER 769 Ca 0.48 -1.17 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 3hoy s SER 769 Cb -0.13 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.45 3hoy s SER 769 CO 0.19 -0.87 0.46 -0.69 0.98 0.00 0.00 173.24 173.31 3hoy s VAL 770 N -4.07 -0.01 -0.27 5.02 1.01 -0.90 -4.45 120.40 116.72 3hoy s VAL 770 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3hoy s VAL 770 Cb 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3hoy s VAL 770 CO 0.07 0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.57 3hoy n GLU 771 N 3.73 -1.83 0.00 2.72 1.02 -1.26 -2.52 120.64 122.51 3hoy n GLU 771 Ca -0.19 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3hoy n GLU 771 Cb 0.56 -4.10 0.00 0.00 -0.02 0.00 0.00 31.44 27.88 3hoy n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hoy n GLY 772 N 0.38 2.37 3.69 0.62 0.00 -1.26 -5.07 105.19 105.92 3hoy n GLY 772 Ca -0.03 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3hoy n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hoy s LYS 773 N 0.00 1.34 1.18 1.61 3.01 -1.05 -4.89 119.74 120.95 3hoy s LYS 773 Ca 0.00 1.60 -0.14 0.00 -1.01 0.00 0.00 55.97 56.42 3hoy s LYS 773 Cb 0.00 -1.76 0.29 0.00 -1.01 0.00 0.00 37.83 35.35 3hoy s LYS 773 CO 0.00 -2.40 1.03 1.03 0.51 0.00 0.00 175.35 175.51 3hoy s ARG 774 N -4.47 -1.03 0.09 1.68 0.52 -1.26 -2.13 118.95 112.35 3hoy s ARG 774 Ca 0.69 0.67 -0.37 0.00 -0.52 0.00 0.00 55.73 56.20 3hoy s ARG 774 Cb -0.25 -1.55 -0.17 0.00 0.52 0.00 0.00 34.95 33.50 3hoy s ARG 774 CO 0.55 -3.75 1.30 -0.89 0.02 0.00 0.00 175.30 172.52 3hoy n ILE 775 N -4.91 0.10 -1.06 1.52 2.08 0.22 -4.69 119.36 112.61 3hoy n ILE 775 Ca 0.04 -0.03 -0.06 0.00 0.56 0.00 0.00 62.75 63.27 3hoy n ILE 775 Cb 0.55 -0.75 0.04 0.00 -0.75 0.00 0.00 39.64 38.73 3hoy n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hoy n ALA 776 N 2.32 -0.36 -3.53 -1.39 0.00 -1.26 -4.65 120.51 111.64 3hoy n ALA 776 Ca 0.18 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 3hoy n ALA 776 Cb 0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 3hoy n ALA 776 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hoy s PHE 777 N -1.51 3.56 0.16 0.00 2.99 -1.26 -4.32 117.98 117.59 3hoy s PHE 777 Ca 0.14 -2.31 -0.06 0.00 0.00 0.00 0.00 56.93 54.69 3hoy s PHE 777 Cb -0.01 -3.50 0.01 0.00 0.00 0.00 0.00 43.02 39.52 3hoy s PHE 777 CO 0.10 -0.92 1.43 0.78 -0.00 0.00 0.00 175.22 176.61 3hoy h GLY 778 N 7.50 0.71 -2.67 4.36 0.00 -1.80 -3.43 103.07 107.74 3hoy h GLY 778 Ca 0.01 -0.89 -0.50 0.00 0.00 0.00 0.00 47.33 45.96 3hoy h GLY 778 CO 0.75 0.80 -0.06 -1.36 0.00 0.00 0.00 176.54 176.66 3hoy s PHE 779 N -3.91 3.51 -0.17 5.60 0.40 -0.96 -4.98 117.98 117.46 3hoy s PHE 779 Ca -0.08 0.65 -0.36 0.00 -0.60 0.00 0.00 56.93 56.53 3hoy s PHE 779 Cb 0.10 -2.14 -0.13 0.00 0.51 0.00 0.00 43.02 41.37 3hoy s PHE 779 CO 0.86 0.01 1.84 0.28 0.70 0.00 0.00 175.22 178.92 3hoy n VAL 780 N -1.55 0.47 -2.31 -0.44 0.31 -1.26 -1.84 118.33 111.71 3hoy n VAL 780 Ca -0.01 -0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 3hoy n VAL 780 Cb 0.55 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 31.84 3hoy n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hoy n ASP 781 N 6.31 -2.98 -3.48 4.52 8.00 -1.26 -4.83 116.55 122.83 3hoy n ASP 781 Ca 0.25 0.27 -0.10 0.00 0.71 0.00 0.00 54.79 55.92 3hoy n ASP 781 Cb 0.23 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.12 38.70 3hoy n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hoy s ARG 782 N -4.73 1.09 0.08 -1.24 1.70 -0.77 -0.04 118.95 115.04 3hoy s ARG 782 Ca 0.00 -0.42 0.17 0.00 -0.47 0.00 0.00 55.73 55.01 3hoy s ARG 782 Cb 0.00 0.49 -0.12 0.00 -0.57 0.00 0.00 34.95 34.75 3hoy s ARG 782 CO 0.00 -0.48 0.87 1.79 -1.08 0.00 0.00 175.30 176.40 3hoy h THR 783 N 2.00 0.48 -2.67 4.99 1.35 -1.82 -2.52 112.91 114.71 3hoy h THR 783 Ca -0.28 -1.94 -0.06 0.00 -0.55 0.00 0.00 66.41 63.58 3hoy h THR 783 Cb 1.28 2.01 -0.17 0.00 -1.73 0.00 0.00 68.15 69.54 3hoy h THR 783 CO 0.34 0.27 0.05 -0.76 -0.25 0.00 0.00 175.52 175.17 3hoy s LEU 784 N -5.78 -0.13 0.00 3.87 1.43 -1.26 -4.69 118.68 112.12 3hoy s LEU 784 Ca -0.02 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3hoy s LEU 784 Cb 0.09 2.16 0.00 0.00 0.03 0.00 0.00 46.19 48.46 3hoy s LEU 784 CO 0.81 -0.69 0.78 -0.81 0.23 0.00 0.00 176.35 176.66 3hoy n PRO 785 N 0.51 0.81 -0.01 1.29 -0.04 -1.26 -2.14 135.00 134.16 3hoy n PRO 785 Ca -0.19 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.28 3hoy n PRO 785 Cb 0.60 -1.12 0.02 0.00 -0.04 0.00 0.00 33.50 32.95 3hoy n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hoy n HIS 786 N 0.55 0.03 -4.26 0.54 8.25 -1.26 -5.00 115.22 114.06 3hoy n HIS 786 Ca 0.00 -0.53 -0.21 0.00 -0.26 0.00 0.00 57.72 56.73 3hoy n HIS 786 Cb 0.39 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.32 3hoy n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hoy s PHE 787 N -1.10 1.42 0.33 4.41 2.99 -0.91 -5.14 117.98 119.98 3hoy s PHE 787 Ca 0.03 -0.43 -0.24 0.00 0.00 0.00 0.00 56.93 56.29 3hoy s PHE 787 Cb 0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 43.02 42.14 3hoy s PHE 787 CO 0.01 0.10 0.91 -1.12 -0.00 0.00 0.00 175.22 175.12 3hoy s SER 788 N -1.66 7.24 0.98 1.36 0.01 -1.26 -4.91 113.70 115.46 3hoy s SER 788 Ca 0.02 1.75 -0.15 0.00 1.31 0.00 0.00 55.95 58.88 3hoy s SER 788 Cb -0.10 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3hoy s SER 788 CO 0.03 -0.10 -0.05 0.29 0.41 0.00 0.00 173.24 173.82 3hoy n LYS 789 N 0.40 -0.29 -3.84 12.44 5.02 -1.26 -3.72 118.16 126.90 3hoy n LYS 789 Ca 0.02 -0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 55.90 3hoy n LYS 789 Cb 0.51 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 3hoy n LYS 789 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hoy n ASP 790 N 0.25 -4.21 -4.33 4.39 9.92 0.95 -4.99 116.55 118.52 3hoy n ASP 790 Ca 0.03 -1.10 -0.33 0.00 -0.53 0.00 0.00 54.79 52.86 3hoy n ASP 790 Cb 0.56 -2.82 -0.14 0.00 -0.64 0.00 0.00 41.12 38.08 3hoy n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hoy s ASP 791 N -3.62 4.02 -0.01 -2.24 -1.08 -1.24 -4.97 116.67 107.53 3hoy s ASP 791 Ca 0.41 -0.37 0.01 0.00 -0.52 0.00 0.00 52.55 52.09 3hoy s ASP 791 Cb -0.17 -1.64 0.02 0.00 -1.46 0.00 0.00 42.92 39.67 3hoy s ASP 791 CO 0.90 0.10 1.00 -1.22 0.52 0.00 0.00 175.17 176.47 3hoy n TYR 792 N 3.96 0.00 -0.58 -5.34 4.02 -1.26 -4.72 117.16 113.25 3hoy n TYR 792 Ca -0.18 -0.53 -0.30 0.00 -0.01 0.00 0.00 57.90 56.87 3hoy n TYR 792 Cb 0.52 -0.06 0.21 0.00 -0.02 0.00 0.00 39.34 39.99 3hoy n TYR 792 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3hoy n SER 793 N -0.56 -2.27 -0.12 7.72 3.41 -1.26 -4.73 113.62 115.81 3hoy n SER 793 Ca 0.01 -0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.34 3hoy n SER 793 Cb 0.28 -1.05 0.05 0.00 -0.26 0.00 0.00 64.21 63.23 3hoy n SER 793 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hoy h PRO 794 N -2.38 0.87 0.00 4.33 0.13 -1.97 -2.93 132.00 130.05 3hoy h PRO 794 Ca -0.57 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 3hoy h PRO 794 Cb 1.34 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3hoy h PRO 794 CO 0.42 1.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.58 3hoy n GLU 795 N -4.11 0.21 -0.10 0.86 4.71 -1.26 -1.19 120.64 119.76 3hoy n GLU 795 Ca 0.00 0.15 -0.13 0.00 -0.01 0.00 0.00 57.16 57.17 3hoy n GLU 795 Cb 0.44 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.27 3hoy n GLU 795 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hoy n SER 796 N -1.28 2.19 -0.31 1.62 2.88 -1.11 -4.47 113.62 113.13 3hoy n SER 796 Ca 0.07 -0.09 0.09 0.00 -1.33 0.00 0.00 58.87 57.61 3hoy n SER 796 Cb 0.12 -0.08 0.40 0.00 -0.75 0.00 0.00 64.21 63.89 3hoy n SER 796 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3hoy n LYS 797 N -2.99 1.40 0.00 -1.46 4.76 -1.18 -4.68 118.16 114.01 3hoy n LYS 797 Ca -0.34 -0.61 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 3hoy n LYS 797 Cb 0.90 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 3hoy n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hoy n GLY 798 N 0.95 1.82 3.57 0.72 0.00 -1.18 0.69 105.19 111.75 3hoy n GLY 798 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hoy n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hoy s PHE 799 N -2.00 3.15 -0.76 1.61 5.36 -0.33 -0.38 117.98 124.62 3hoy s PHE 799 Ca 0.00 0.31 -0.21 0.00 -0.96 0.00 0.00 56.93 56.07 3hoy s PHE 799 Cb 0.00 -3.14 0.09 0.00 -0.34 0.00 0.00 43.02 39.64 3hoy s PHE 799 CO 0.00 -0.64 1.01 0.08 -1.46 0.00 0.00 175.22 174.22 3hoy s VAL 800 N 2.69 4.49 0.17 3.12 1.01 -1.11 -4.64 120.40 126.13 3hoy s VAL 800 Ca 0.24 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 3hoy s VAL 800 Cb -0.14 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.54 3hoy s VAL 800 CO 0.15 -1.46 1.57 -0.08 0.00 0.00 0.00 175.10 175.28 3hoy h GLU 801 N 9.29 1.00 -7.26 2.72 4.81 -1.94 -1.67 114.58 121.53 3hoy h GLU 801 Ca -0.12 -0.40 -0.45 0.00 -0.13 0.00 0.00 59.36 58.26 3hoy h GLU 801 Cb 1.05 -0.05 0.18 0.00 0.63 0.00 0.00 28.75 30.57 3hoy h GLU 801 CO 1.16 1.08 0.11 -0.80 -0.73 0.00 0.00 179.01 179.83 3hoy s ASN 802 N -6.70 1.82 0.44 1.04 0.01 -1.26 -4.19 114.94 106.09 3hoy s ASN 802 Ca -0.11 1.35 0.08 0.00 -0.71 0.00 0.00 52.86 53.46 3hoy s ASN 802 Cb 0.13 -2.07 -0.00 0.00 0.41 0.00 0.00 41.25 39.71 3hoy s ASN 802 CO 0.87 -3.66 0.44 -0.94 -1.51 0.00 0.00 177.10 172.30 3hoy s SER 803 N -3.01 5.12 0.43 -1.22 1.04 -1.21 -0.04 113.70 114.81 3hoy s SER 803 Ca 0.67 -0.74 0.24 0.00 0.48 0.00 0.00 55.95 56.59 3hoy s SER 803 Cb -0.22 -0.44 0.80 0.00 0.10 0.00 0.00 66.02 66.26 3hoy s SER 803 CO 0.61 -0.76 1.77 1.88 0.98 0.00 0.00 173.24 177.72 3hoy h TYR 804 N 0.88 0.00 -0.50 5.02 0.99 -1.23 -1.31 116.97 120.82 3hoy h TYR 804 Ca -0.40 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.21 3hoy h TYR 804 Cb 1.27 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.99 3hoy h TYR 804 CO 0.53 0.22 -0.17 1.25 -0.00 0.00 0.00 178.16 179.99 3hoy h LEU 805 N 0.00 0.99 0.04 3.88 5.85 -1.65 -3.30 115.31 121.13 3hoy h LEU 805 Ca -0.00 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 3hoy h LEU 805 Cb 0.83 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.60 3hoy h LEU 805 CO 0.03 1.14 -0.29 0.03 -0.34 0.00 0.00 178.44 179.01 3hoy h ARG 806 N 0.86 0.12 0.00 1.25 3.08 -1.79 -3.51 114.38 114.40 3hoy h ARG 806 Ca 0.12 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hoy h ARG 806 Cb 0.73 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3hoy h ARG 806 CO 0.06 1.05 0.00 0.41 -1.07 0.00 0.00 179.97 180.41 3hoy n GLY 807 N 1.49 2.89 3.79 0.04 0.00 -0.52 -5.00 105.19 107.88 3hoy n GLY 807 Ca -0.11 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 3hoy n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hoy s LEU 808 N 0.00 4.13 0.45 0.99 1.02 -1.26 -4.82 118.68 119.19 3hoy s LEU 808 Ca 0.00 1.91 -0.12 0.00 0.02 0.00 0.00 54.13 55.94 3hoy s LEU 808 Cb 0.00 -4.24 -0.07 0.00 0.02 0.00 0.00 46.19 41.90 3hoy s LEU 808 CO 0.00 -0.38 0.85 0.42 0.02 0.00 0.00 176.35 177.26 3hoy s THR 809 N -1.78 4.71 0.49 5.49 -4.23 -1.26 -4.63 115.64 114.43 3hoy s THR 809 Ca 0.57 0.80 0.45 0.00 -1.18 0.00 0.00 61.69 62.33 3hoy s THR 809 Cb -0.18 -3.74 0.66 0.00 1.34 0.00 0.00 72.50 70.57 3hoy s THR 809 CO 0.23 -0.63 1.39 -2.65 -0.54 0.00 0.00 174.62 172.43 3hoy n PRO 810 N -1.52 -0.00 -0.07 3.99 -0.02 -1.26 0.55 135.00 136.67 3hoy n PRO 810 Ca 0.04 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.38 3hoy n PRO 810 Cb 0.54 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 3hoy n PRO 810 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hoy h GLN 811 N 0.00 0.00 -0.72 -0.52 7.50 -1.99 -2.71 115.11 116.67 3hoy h GLN 811 Ca 0.84 0.00 0.12 0.00 0.50 0.00 0.00 58.65 60.11 3hoy h GLN 811 Cb 3.36 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 30.80 3hoy h GLN 811 CO -0.02 0.72 0.31 0.93 -1.50 0.00 0.00 178.83 179.28 3hoy h GLU 812 N -1.00 0.48 -0.07 1.46 5.08 -0.23 -0.62 114.58 119.68 3hoy h GLU 812 Ca -0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hoy h GLU 812 Cb 0.77 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3hoy h GLU 812 CO -0.02 0.32 -0.01 0.35 -1.00 0.00 0.00 179.01 178.65 3hoy h PHE 813 N 0.49 -0.03 0.00 4.33 3.57 -0.51 0.29 116.94 125.09 3hoy h PHE 813 Ca 0.38 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3hoy h PHE 813 Cb 0.51 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3hoy h PHE 813 CO -0.15 -0.02 -0.07 0.35 -2.23 0.00 0.00 178.31 176.19 3hoy h PHE 814 N 0.01 0.00 0.14 0.41 3.57 -0.99 -1.38 116.94 118.70 3hoy h PHE 814 Ca 0.03 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.19 3hoy h PHE 814 Cb 0.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3hoy h PHE 814 CO -0.12 0.07 -1.80 0.74 -2.23 0.00 0.00 178.31 174.97 3hoy h PHE 815 N 0.00 0.54 -0.18 0.41 0.05 -0.91 -2.86 116.94 113.99 3hoy h PHE 815 Ca -0.00 -0.39 -0.01 0.00 3.82 0.00 0.00 57.97 61.39 3hoy h PHE 815 Cb 0.64 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.56 3hoy h PHE 815 CO 0.00 1.61 0.07 1.25 -0.18 0.00 0.00 178.31 181.07 3hoy h HIS 816 N 0.08 0.23 0.50 -0.55 2.76 -0.86 -0.85 115.15 116.47 3hoy h HIS 816 Ca -0.35 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.79 3hoy h HIS 816 Cb 2.06 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.95 3hoy h HIS 816 CO 0.08 0.19 -0.24 0.00 -1.30 0.00 0.00 177.93 176.66 3hoy h ALA 817 N 1.84 -1.00 -1.13 5.26 0.00 -1.26 -1.18 119.26 121.78 3hoy h ALA 817 Ca 0.06 -0.15 0.34 0.00 0.00 0.00 0.00 54.91 55.17 3hoy h ALA 817 Cb 0.05 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 17.98 3hoy h ALA 817 CO -0.01 -0.95 0.71 0.52 0.00 0.00 0.00 179.25 179.52 3hoy h MET 818 N -0.78 0.26 0.57 0.00 2.86 -1.21 0.33 114.93 116.97 3hoy h MET 818 Ca -0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3hoy h MET 818 Cb 0.51 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.12 3hoy h MET 818 CO 0.11 0.17 -0.28 0.78 1.06 0.00 0.00 176.91 178.76 3hoy h GLY 819 N 0.27 -0.81 0.38 8.32 0.00 -1.00 -3.20 103.07 107.03 3hoy h GLY 819 Ca 0.71 0.30 0.03 0.00 0.00 0.00 0.00 47.33 48.37 3hoy h GLY 819 CO -0.42 -0.29 -0.26 -1.33 0.00 0.00 0.00 176.54 174.24 3hoy h GLY 820 N -0.95 -0.38 0.80 4.60 0.00 0.81 -0.77 103.07 107.19 3hoy h GLY 820 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3hoy h GLY 820 CO 0.13 -0.21 0.46 -0.09 0.00 0.00 0.00 176.54 176.83 3hoy h ARG 821 N -0.39 0.00 0.20 4.80 9.65 -0.92 0.50 114.38 128.23 3hoy h ARG 821 Ca 0.07 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.64 3hoy h ARG 821 Cb 0.48 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.10 3hoy h ARG 821 CO -0.25 0.00 -1.33 1.49 2.80 0.00 0.00 179.97 182.68 3hoy h GLU 822 N 0.00 0.55 -0.27 0.20 4.81 -1.13 -3.15 114.58 115.59 3hoy h GLU 822 Ca 0.00 -0.86 -0.05 0.00 -0.13 0.00 0.00 59.36 58.32 3hoy h GLU 822 Cb 0.92 0.31 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3hoy h GLU 822 CO 0.00 1.40 -0.04 0.78 -0.73 0.00 0.00 179.01 180.42 3hoy h GLY 823 N 0.13 0.54 0.94 1.92 0.00 -0.99 -1.37 103.07 104.24 3hoy h GLY 823 Ca -0.22 -0.43 0.15 0.00 0.00 0.00 0.00 47.33 46.82 3hoy h GLY 823 CO 0.25 0.39 0.39 1.41 0.00 0.00 0.00 176.54 178.98 3hoy h LEU 824 N 0.26 0.06 0.18 3.11 3.38 -1.65 1.34 115.31 121.99 3hoy h LEU 824 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hoy h LEU 824 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hoy h LEU 824 CO 0.02 0.03 -0.08 0.40 0.09 0.00 0.00 178.44 178.90 3hoy h ILE 825 N 0.07 0.00 -0.81 1.22 2.04 -1.43 -2.37 117.51 116.24 3hoy h ILE 825 Ca 0.26 -0.61 0.17 0.00 1.00 0.00 0.00 64.86 65.69 3hoy h ILE 825 Cb 0.94 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.87 3hoy h ILE 825 CO -0.02 0.00 -0.13 -0.78 0.00 0.00 0.00 178.15 177.22 3hoy h ASP 826 N -0.84 -0.62 -0.10 1.72 1.82 -0.57 0.59 116.42 118.42 3hoy h ASP 826 Ca -0.02 0.23 0.04 0.00 -0.39 0.00 0.00 57.03 56.89 3hoy h ASP 826 Cb 0.18 0.46 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 3hoy h ASP 826 CO 0.04 -0.25 -0.35 0.74 -1.61 0.00 0.00 179.24 177.81 3hoy h THR 827 N 0.03 0.25 0.00 2.25 2.02 0.17 0.52 112.91 118.13 3hoy h THR 827 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 3hoy h THR 827 Cb 0.68 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3hoy h THR 827 CO -0.79 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.10 3hoy n ALA 828 N -2.85 2.80 0.00 6.16 0.00 0.20 -2.61 120.51 124.22 3hoy n ALA 828 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hoy n ALA 828 Cb 0.34 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3hoy n ALA 828 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hoy n VAL 829 N 1.25 0.00 0.37 0.00 0.31 -0.29 -4.79 118.33 115.17 3hoy n VAL 829 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3hoy n VAL 829 Cb 0.35 -0.14 0.19 0.00 -0.91 0.00 0.00 33.84 33.32 3hoy n VAL 829 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3hoy n LYS 830 N -2.28 0.12 -0.05 5.55 3.00 0.17 -0.93 118.16 123.74 3hoy n LYS 830 Ca 0.00 0.20 -0.13 0.00 -0.00 0.00 0.00 58.31 58.38 3hoy n LYS 830 Cb 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.39 3hoy n LYS 830 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3hoy n THR 831 N -1.27 1.59 0.06 3.15 5.66 -1.07 -3.12 114.28 119.27 3hoy n THR 831 Ca 0.04 -0.75 0.03 0.00 -3.05 0.00 0.00 64.05 60.32 3hoy n THR 831 Cb 0.06 -1.14 -0.06 0.00 -1.55 0.00 0.00 70.33 67.64 3hoy n THR 831 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hoy h ALA 832 N 0.64 0.62 0.12 1.79 0.00 -1.31 -3.06 119.26 118.06 3hoy h ALA 832 Ca -0.41 -0.63 -0.21 0.00 0.00 0.00 0.00 54.91 53.66 3hoy h ALA 832 Cb 2.06 0.20 0.01 0.00 0.00 0.00 0.00 17.79 20.05 3hoy h ALA 832 CO 0.05 0.69 -0.99 1.49 0.00 0.00 0.00 179.25 180.48 3hoy h GLU 833 N 0.00 0.25 -0.46 0.00 4.81 -1.31 -3.24 114.58 114.62 3hoy h GLU 833 Ca -0.12 -0.42 0.08 0.00 -0.13 0.00 0.00 59.36 58.77 3hoy h GLU 833 Cb 1.44 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.91 3hoy h GLU 833 CO 0.04 1.20 0.09 1.15 -0.73 0.00 0.00 179.01 180.75 3hoy h THR 834 N -0.42 0.74 -0.61 0.32 2.02 -1.69 -1.89 112.91 111.39 3hoy h THR 834 Ca -0.20 -0.08 0.12 0.00 0.77 0.00 0.00 66.41 67.03 3hoy h THR 834 Cb 1.63 0.50 -0.12 0.00 -1.74 0.00 0.00 68.15 68.42 3hoy h THR 834 CO 0.09 0.04 -0.18 1.23 0.37 0.00 0.00 175.52 177.07 3hoy h GLY 835 N 0.22 0.36 1.35 2.16 0.00 -1.61 0.21 103.07 105.75 3hoy h GLY 835 Ca 0.23 0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.73 3hoy h GLY 835 CO -0.30 -0.23 0.01 -1.82 0.00 0.00 0.00 176.54 174.19 3hoy h TYR 836 N -0.03 0.84 0.21 5.60 3.20 -1.40 -1.42 116.97 123.97 3hoy h TYR 836 Ca 0.29 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3hoy h TYR 836 Cb 0.47 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3hoy h TYR 836 CO -0.52 0.78 -0.14 0.82 -1.64 0.00 0.00 178.16 177.45 3hoy h ILE 837 N 0.74 0.70 -0.50 1.81 2.04 -0.33 -1.89 117.51 120.08 3hoy h ILE 837 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3hoy h ILE 837 Cb 0.44 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3hoy h ILE 837 CO 0.02 0.00 -0.40 1.56 0.00 0.00 0.00 178.15 179.32 3hoy h GLN 838 N -0.34 -0.13 -0.77 2.37 1.08 -0.28 -1.05 115.11 115.99 3hoy h GLN 838 Ca -0.02 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 3hoy h GLN 838 Cb 0.30 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 27.63 3hoy h GLN 838 CO 0.01 -0.09 -0.41 -0.09 -0.95 0.00 0.00 178.83 177.30 3hoy h ARG 839 N -0.14 -0.11 -0.06 1.46 9.65 -0.87 -1.59 114.38 122.72 3hoy h ARG 839 Ca 0.08 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3hoy h ARG 839 Cb 0.35 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3hoy h ARG 839 CO -0.54 -0.07 0.03 0.00 2.80 0.00 0.00 179.97 182.19 3hoy h ARG 840 N -0.11 0.09 -0.83 0.20 3.08 -0.88 0.15 114.38 116.08 3hoy h ARG 840 Ca 0.25 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.47 3hoy h ARG 840 Cb 0.56 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 3hoy h ARG 840 CO -0.82 0.16 0.33 -0.07 -1.07 0.00 0.00 179.97 178.50 3hoy h LEU 841 N -0.00 0.26 0.14 3.04 3.38 -0.43 0.38 115.31 122.07 3hoy h LEU 841 Ca 0.02 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3hoy h LEU 841 Cb 0.10 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hoy h LEU 841 CO -0.00 0.03 -0.07 0.58 0.09 0.00 0.00 178.44 179.07 3hoy h VAL 842 N 0.40 0.00 -1.14 1.22 2.07 -0.79 -2.90 116.25 115.11 3hoy h VAL 842 Ca 0.49 -0.11 0.33 0.00 0.82 0.00 0.00 66.70 68.24 3hoy h VAL 842 Cb 0.86 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3hoy h VAL 842 CO -0.49 0.00 1.02 0.11 0.02 0.00 0.00 177.57 178.23 3hoy h LYS 843 N -0.29 0.00 0.00 1.57 1.79 -0.45 0.63 116.57 119.82 3hoy h LYS 843 Ca -0.02 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 3hoy h LYS 843 Cb 0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3hoy h LYS 843 CO 0.03 0.00 -0.20 0.00 -1.08 0.00 0.00 179.45 178.20 3hoy h ALA 844 N 1.03 0.92 0.00 3.86 0.00 -0.13 -3.34 119.26 121.61 3hoy h ALA 844 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hoy h ALA 844 Cb 2.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.34 3hoy h ALA 844 CO -0.01 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3hoy n LEU 845 N -3.22 0.70 -0.04 0.00 4.77 0.20 -4.88 117.00 114.53 3hoy n LEU 845 Ca 0.02 -0.80 -0.01 0.00 -0.03 0.00 0.00 56.01 55.19 3hoy n LEU 845 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3hoy n LEU 845 CO 0.35 0.17 0.20 -0.62 -1.33 0.00 0.00 177.39 176.16 3hoy n GLU 846 N -0.21 -0.04 0.00 3.23 1.02 -0.24 -0.85 120.64 123.54 3hoy n GLU 846 Ca 0.00 0.45 0.03 0.00 -0.02 0.00 0.00 57.16 57.62 3hoy n GLU 846 Cb 0.02 -0.67 0.19 0.00 -0.02 0.00 0.00 31.44 30.96 3hoy n GLU 846 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hoy n ASP 847 N -2.92 0.00 -4.74 1.62 5.75 -1.26 -4.16 116.55 110.84 3hoy n ASP 847 Ca 0.00 -0.44 -0.38 0.00 -0.01 0.00 0.00 54.79 53.96 3hoy n ASP 847 Cb 0.03 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 3hoy n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hoy s ILE 848 N -2.00 5.11 0.06 2.12 1.01 -0.03 -3.48 121.20 123.99 3hoy s ILE 848 Ca 0.10 1.04 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 3hoy s ILE 848 Cb 0.04 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.71 3hoy s ILE 848 CO 0.08 0.36 0.46 0.00 0.00 0.00 0.00 174.94 175.83 3hoy s MET 849 N 0.36 1.01 -0.18 2.79 0.23 -1.00 -1.17 119.30 121.34 3hoy s MET 849 Ca 0.28 -0.37 -0.29 0.00 -1.03 0.00 0.00 55.69 54.28 3hoy s MET 849 Cb -0.16 0.45 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 3hoy s MET 849 CO 0.12 -0.37 1.30 0.08 -2.03 0.00 0.00 175.02 174.13 3hoy s VAL 850 N -2.72 4.21 0.77 5.16 1.01 -1.12 -2.98 120.40 124.73 3hoy s VAL 850 Ca -0.04 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 3hoy s VAL 850 Cb -0.00 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.51 3hoy s VAL 850 CO -0.04 -0.18 1.07 -1.00 0.00 0.00 0.00 175.10 174.96 3hoy s HIS 851 N 3.68 2.14 -2.00 5.22 3.76 -0.53 -1.78 115.29 125.78 3hoy s HIS 851 Ca 0.56 0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.65 3hoy s HIS 851 Cb -0.22 -3.34 0.15 0.00 1.11 0.00 0.00 32.58 30.28 3hoy s HIS 851 CO 0.17 -1.80 0.53 0.66 -0.85 0.00 0.00 174.74 173.46 3hoy n TYR 852 N -3.08 0.00 0.01 1.40 0.53 -1.26 -0.58 117.16 114.18 3hoy n TYR 852 Ca 0.12 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 57.01 3hoy n TYR 852 Cb 0.60 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.93 3hoy n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3hoy n ASP 853 N -0.88 1.78 0.00 7.72 5.68 -1.26 -4.99 116.55 124.61 3hoy n ASP 853 Ca 0.02 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 3hoy n ASP 853 Cb 0.01 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3hoy n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hoy n ASN 854 N -0.14 0.00 -4.78 -1.12 3.02 0.25 -4.99 115.26 107.50 3hoy n ASN 854 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.24 3hoy n ASN 854 Cb 0.19 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.40 3hoy n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hoy s THR 855 N -2.94 3.32 -0.35 3.41 -1.32 -1.17 -3.14 115.64 113.45 3hoy s THR 855 Ca 0.00 0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 61.10 3hoy s THR 855 Cb 0.00 -3.17 0.08 0.00 -1.51 0.00 0.00 72.50 67.90 3hoy s THR 855 CO 0.00 -0.36 0.09 -0.89 -2.21 0.00 0.00 174.62 171.25 3hoy s THR 856 N -2.29 3.10 0.41 5.08 2.01 -0.31 -1.46 115.64 122.18 3hoy s THR 856 Ca 0.67 -1.72 0.07 0.00 0.31 0.00 0.00 61.69 61.02 3hoy s THR 856 Cb -0.20 -2.96 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 3hoy s THR 856 CO 0.39 -0.39 0.02 -0.13 -0.69 0.00 0.00 174.62 173.83 3hoy s ARG 857 N 1.19 1.98 0.00 4.92 0.52 -1.16 -0.84 118.95 125.56 3hoy s ARG 857 Ca 0.02 -2.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.14 3hoy s ARG 857 Cb -0.21 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.59 3hoy s ARG 857 CO -0.03 -0.06 0.00 0.27 0.02 0.00 0.00 175.30 175.51 3hoy n ASN 858 N -0.99 0.02 -0.39 0.23 2.04 -1.11 -2.38 115.26 112.69 3hoy n ASN 858 Ca -0.05 0.00 0.01 0.00 -0.44 0.00 0.00 54.58 54.11 3hoy n ASN 858 Cb 0.67 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.97 3hoy n ASN 858 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3hoy n SER 859 N 0.00 0.97 -0.00 0.53 3.41 -1.23 -2.92 113.62 114.39 3hoy n SER 859 Ca 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 3hoy n SER 859 Cb 0.00 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3hoy n SER 859 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hoy n LEU 860 N -0.09 0.03 0.00 1.04 4.77 -1.26 -4.68 117.00 116.81 3hoy n LEU 860 Ca 0.03 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3hoy n LEU 860 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3hoy n LEU 860 CO 0.03 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3hoy n GLY 861 N 1.32 0.63 3.75 -0.72 0.00 -1.15 -5.02 105.19 104.01 3hoy n GLY 861 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3hoy n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hoy s ASN 862 N -2.17 7.53 -0.00 1.61 -0.87 -1.26 -4.86 114.94 114.93 3hoy s ASN 862 Ca 0.00 2.04 -0.26 0.00 -1.57 0.00 0.00 52.86 53.08 3hoy s ASN 862 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 3hoy s ASN 862 CO 0.00 0.07 0.80 -0.69 -2.57 0.00 0.00 177.10 174.70 3hoy s VAL 863 N -1.18 4.87 -0.07 1.60 1.01 -1.26 -2.73 120.40 122.63 3hoy s VAL 863 Ca 0.42 1.67 0.13 0.00 0.00 0.00 0.00 61.98 64.21 3hoy s VAL 863 Cb -0.28 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 3hoy s VAL 863 CO 0.35 0.28 0.20 -0.38 0.00 0.00 0.00 175.10 175.54 3hoy n ILE 864 N 3.40 0.41 -3.67 2.22 -0.00 -0.02 -4.95 119.36 116.74 3hoy n ILE 864 Ca 0.00 -0.44 -0.11 0.00 -0.00 0.00 0.00 62.75 62.20 3hoy n ILE 864 Cb 0.51 -0.19 -0.09 0.00 -0.00 0.00 0.00 39.64 39.87 3hoy n ILE 864 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3hoy s GLN 865 N -2.70 0.61 0.15 0.38 -0.21 -1.17 -4.79 119.66 111.94 3hoy s GLN 865 Ca -0.06 0.89 -0.09 0.00 0.02 0.00 0.00 55.36 56.13 3hoy s GLN 865 Cb 0.07 0.20 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 3hoy s GLN 865 CO 0.58 -0.11 1.46 0.74 -2.12 0.00 0.00 175.29 175.84 3hoy h PHE 866 N 6.08 1.00 -3.42 0.91 -1.00 -1.90 -0.81 116.94 117.80 3hoy h PHE 866 Ca -0.30 -0.33 -0.46 0.00 2.81 0.00 0.00 57.97 59.69 3hoy h PHE 866 Cb 1.19 -0.20 -0.34 0.00 3.61 0.00 0.00 35.95 40.21 3hoy h PHE 866 CO 0.28 1.13 -0.79 0.42 -1.61 0.00 0.00 178.31 177.74 3hoy s ILE 867 N -4.21 0.80 -0.31 -0.55 1.09 -1.26 -3.04 121.20 113.73 3hoy s ILE 867 Ca -0.10 -0.27 -0.40 0.00 -1.10 0.00 0.00 60.65 58.78 3hoy s ILE 867 Cb 0.11 -0.78 -0.16 0.00 -1.06 0.00 0.00 42.46 40.57 3hoy s ILE 867 CO 0.87 0.29 1.78 0.00 -0.10 0.00 0.00 174.94 177.78 3hoy n TYR 868 N 4.02 1.98 -1.13 3.97 9.36 -1.19 -1.18 117.16 133.00 3hoy n TYR 868 Ca -0.23 0.57 -0.04 0.00 3.32 0.00 0.00 57.90 61.51 3hoy n TYR 868 Cb 0.51 -2.44 -0.02 0.00 -0.63 0.00 0.00 39.34 36.76 3hoy n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hoy n GLY 869 N 4.46 0.62 2.34 2.98 0.00 -1.26 -0.63 105.19 113.70 3hoy n GLY 869 Ca 0.29 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3hoy n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hoy n GLU 870 N -1.48 -0.78 0.00 1.61 1.02 -0.33 -4.69 120.64 116.00 3hoy n GLU 870 Ca -0.04 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3hoy n GLU 870 Cb 0.32 -4.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.99 3hoy n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hoy n ASP 871 N 0.17 0.00 0.00 1.62 5.75 -1.14 -4.77 116.55 118.18 3hoy n ASP 871 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 3hoy n ASP 871 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3hoy n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hoy n GLY 872 N 0.00 0.48 3.83 6.12 0.00 0.20 -4.92 105.19 110.89 3hoy n GLY 872 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hoy n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hoy s MET 873 N -0.54 4.15 -0.13 1.61 -1.94 -1.26 0.25 119.30 121.44 3hoy s MET 873 Ca 0.00 0.73 -0.27 0.00 -1.71 0.00 0.00 55.69 54.44 3hoy s MET 873 Cb 0.00 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 3hoy s MET 873 CO 0.00 0.42 0.90 0.34 -0.01 0.00 0.00 175.02 176.67 3hoy s ASP 874 N -1.69 7.10 0.37 3.03 2.15 0.38 -4.56 116.67 123.44 3hoy s ASP 874 Ca 0.41 1.35 0.18 0.00 0.43 0.00 0.00 52.55 54.92 3hoy s ASP 874 Cb -0.16 -2.50 1.14 0.00 -0.30 0.00 0.00 42.92 41.10 3hoy s ASP 874 CO 0.20 -0.39 1.68 0.00 -0.17 0.00 0.00 175.17 176.49 3hoy h ALA 875 N 7.16 2.14 0.00 3.66 0.00 -1.89 -0.69 119.26 129.63 3hoy h ALA 875 Ca -0.31 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hoy h ALA 875 Cb 1.15 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hoy h ALA 875 CO 0.84 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3hoy n ALA 876 N -2.37 1.82 -1.69 0.00 0.00 -1.26 -2.86 120.51 114.15 3hoy n ALA 876 Ca 0.31 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 3hoy n ALA 876 Cb 1.03 -1.24 0.09 0.00 0.00 0.00 0.00 19.45 19.32 3hoy n ALA 876 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hoy n HIS 877 N -1.33 2.34 -4.12 0.00 8.25 -0.26 -4.88 115.22 115.22 3hoy n HIS 877 Ca 0.06 -2.22 -0.16 0.00 -0.26 0.00 0.00 57.72 55.14 3hoy n HIS 877 Cb 0.13 -0.64 -0.15 0.00 1.12 0.00 0.00 29.99 30.45 3hoy n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hoy s ILE 878 N -4.24 0.37 0.16 1.59 1.01 -1.13 -4.20 121.20 114.75 3hoy s ILE 878 Ca 0.52 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.08 3hoy s ILE 878 Cb 0.43 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.52 3hoy s ILE 878 CO 0.01 0.12 -0.15 -1.61 0.00 0.00 0.00 174.94 173.31 3hoy s GLU 879 N 0.11 1.19 -0.64 2.79 2.02 -1.21 -4.75 118.70 118.21 3hoy s GLU 879 Ca -0.01 -1.40 -0.28 0.00 0.02 0.00 0.00 54.97 53.31 3hoy s GLU 879 Cb -0.04 -1.10 0.03 0.00 0.10 0.00 0.00 34.13 33.12 3hoy s GLU 879 CO -0.00 0.21 1.27 0.21 0.02 0.00 0.00 175.26 176.97 3hoy s LYS 880 N -3.01 3.34 0.52 1.61 2.20 -1.26 -0.74 119.74 122.40 3hoy s LYS 880 Ca 0.15 0.11 0.07 0.00 -0.36 0.00 0.00 55.97 55.95 3hoy s LYS 880 Cb -0.04 -4.10 0.04 0.00 -1.51 0.00 0.00 37.83 32.22 3hoy s LYS 880 CO 0.05 -1.92 0.53 -0.65 -0.36 0.00 0.00 175.35 173.00 3hoy s GLN 881 N 5.38 2.37 -0.09 4.03 -0.21 -0.55 -4.86 119.66 125.71 3hoy s GLN 881 Ca 0.42 -1.75 0.03 0.00 0.02 0.00 0.00 55.36 54.08 3hoy s GLN 881 Cb -0.08 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.56 3hoy s GLN 881 CO 0.21 -0.58 -0.18 -1.54 -2.12 0.00 0.00 175.29 171.09 3hoy s SER 882 N -4.37 2.53 -0.91 5.90 1.04 -1.26 -1.12 113.70 115.51 3hoy s SER 882 Ca 0.47 -0.45 -0.21 0.00 0.48 0.00 0.00 55.95 56.24 3hoy s SER 882 Cb -0.04 -1.16 0.09 0.00 0.10 0.00 0.00 66.02 65.01 3hoy s SER 882 CO 0.29 0.08 1.22 -0.76 0.98 0.00 0.00 173.24 175.05 3hoy s LEU 883 N 0.62 4.34 0.03 2.42 1.43 0.30 -4.92 118.68 122.91 3hoy s LEU 883 Ca -0.14 -1.60 -0.08 0.00 -1.03 0.00 0.00 54.13 51.28 3hoy s LEU 883 Cb -0.16 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3hoy s LEU 883 CO 0.04 -1.31 1.13 0.44 0.23 0.00 0.00 176.35 176.88 3hoy h ASP 884 N 9.33 -0.48 -0.13 2.29 3.32 -1.95 -2.65 116.42 126.15 3hoy h ASP 884 Ca 0.08 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.22 3hoy h ASP 884 Cb 1.03 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3hoy h ASP 884 CO 1.23 -0.08 -0.03 0.41 -1.72 0.00 0.00 179.24 179.05 3hoy n THR 885 N -3.43 -0.06 0.00 0.35 -1.04 -1.26 -2.14 114.28 106.71 3hoy n THR 885 Ca -0.00 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 3hoy n THR 885 Cb 0.07 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 3hoy n THR 885 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hoy n ILE 886 N -4.20 0.00 -0.35 12.58 2.08 -1.00 -4.76 119.36 123.70 3hoy n ILE 886 Ca 0.02 1.28 0.00 0.00 0.56 0.00 0.00 62.75 64.61 3hoy n ILE 886 Cb 0.06 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 3hoy n ILE 886 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hoy n GLY 887 N -1.00 -1.58 0.00 7.39 0.00 -0.91 -4.95 105.19 104.15 3hoy n GLY 887 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3hoy n GLY 887 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hoy n GLY 888 N 3.78 -1.84 3.86 -0.02 0.00 -1.26 -4.92 105.19 104.78 3hoy n GLY 888 Ca 0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 3hoy n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hoy s SER 889 N -4.73 6.67 0.54 1.61 1.04 -1.26 -2.98 113.70 114.59 3hoy s SER 889 Ca 0.00 1.13 0.26 0.00 0.48 0.00 0.00 55.95 57.82 3hoy s SER 889 Cb 0.00 -2.32 1.43 0.00 0.10 0.00 0.00 66.02 65.23 3hoy s SER 889 CO 0.00 -0.21 2.00 0.44 0.98 0.00 0.00 173.24 176.45 3hoy h ASP 890 N 2.11 0.00 0.83 7.02 3.32 -1.82 -0.69 116.42 127.19 3hoy h ASP 890 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 3hoy h ASP 890 Cb 1.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.73 3hoy h ASP 890 CO 0.66 0.00 -0.40 0.00 -1.72 0.00 0.00 179.24 177.78 3hoy h ALA 891 N 1.72 -1.11 -0.74 3.45 0.00 -1.92 -2.50 119.26 118.16 3hoy h ALA 891 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hoy h ALA 891 Cb 0.96 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3hoy h ALA 891 CO -0.00 -1.08 0.38 0.00 0.00 0.00 0.00 179.25 178.55 3hoy h ALA 892 N -1.07 1.28 -0.82 0.00 0.00 -1.62 -2.04 119.26 115.00 3hoy h ALA 892 Ca -0.11 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hoy h ALA 892 Cb 0.86 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3hoy h ALA 892 CO 0.19 0.57 0.47 0.35 0.00 0.00 0.00 179.25 180.83 3hoy h PHE 893 N 1.04 0.86 0.33 0.00 3.57 -1.15 -2.25 116.94 119.34 3hoy h PHE 893 Ca 0.26 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 3hoy h PHE 893 Cb 0.06 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3hoy h PHE 893 CO 0.01 0.37 -0.16 1.49 -2.23 0.00 0.00 178.31 177.79 3hoy h GLU 894 N 0.81 -0.42 0.00 1.11 4.81 -0.92 -1.88 114.58 118.09 3hoy h GLU 894 Ca 0.39 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3hoy h GLU 894 Cb 0.32 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3hoy h GLU 894 CO -0.23 -0.12 0.26 1.17 -0.73 0.00 0.00 179.01 179.36 3hoy n LYS 895 N -5.16 0.08 -0.08 1.92 4.81 -0.86 -1.60 118.16 117.27 3hoy n LYS 895 Ca -0.10 0.53 -0.08 0.00 -0.87 0.00 0.00 58.31 57.79 3hoy n LYS 895 Cb 0.26 -2.01 -0.03 0.00 0.02 0.00 0.00 35.03 33.28 3hoy n LYS 895 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3hoy n ARG 896 N -1.93 0.49 0.06 1.64 0.63 -0.89 -4.77 116.66 111.88 3hoy n ARG 896 Ca -0.01 0.19 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 3hoy n ARG 896 Cb 0.27 -1.35 0.20 0.00 0.45 0.00 0.00 32.46 32.03 3hoy n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hoy n TYR 897 N -4.37 0.52 -2.54 -0.14 4.02 -0.73 -4.57 117.16 109.35 3hoy n TYR 897 Ca -0.13 0.15 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 3hoy n TYR 897 Cb 0.48 -0.64 -0.03 0.00 -0.02 0.00 0.00 39.34 39.13 3hoy n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3hoy s ARG 898 N -3.15 4.54 -0.11 -0.72 6.06 -0.63 -4.61 118.95 120.34 3hoy s ARG 898 Ca 0.07 1.65 -0.02 0.00 -2.50 0.00 0.00 55.73 54.93 3hoy s ARG 898 Cb 0.14 -3.35 0.04 0.00 0.06 0.00 0.00 34.95 31.84 3hoy s ARG 898 CO 0.71 -0.05 0.03 0.08 -2.50 0.00 0.00 175.30 173.57 3hoy s VAL 899 N 0.48 0.29 -0.47 7.11 1.01 -1.26 -4.94 120.40 122.62 3hoy s VAL 899 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3hoy s VAL 899 Cb -0.27 -0.61 0.12 0.00 0.00 0.00 0.00 36.38 35.62 3hoy s VAL 899 CO 0.31 0.07 0.24 -0.62 0.00 0.00 0.00 175.10 175.09 3hoy s ASP 900 N 1.99 4.92 0.28 3.32 -1.08 0.40 -4.81 116.67 121.69 3hoy s ASP 900 Ca 0.03 -2.49 0.23 0.00 -0.52 0.00 0.00 52.55 49.80 3hoy s ASP 900 Cb -0.14 -1.74 1.03 0.00 -1.46 0.00 0.00 42.92 40.61 3hoy s ASP 900 CO -0.06 -0.39 1.69 0.18 0.52 0.00 0.00 175.17 177.11 3hoy n LEU 901 N 3.90 0.64 -1.28 -1.34 4.77 -1.26 -2.31 117.00 120.12 3hoy n LEU 901 Ca 0.03 0.69 0.08 0.00 -0.03 0.00 0.00 56.01 56.79 3hoy n LEU 901 Cb 0.39 -0.65 0.28 0.00 -2.33 0.00 0.00 43.42 41.11 3hoy n LEU 901 CO 0.31 -0.68 0.73 0.18 -1.33 0.00 0.00 177.39 176.60 3hoy n LEU 902 N -2.24 3.74 -3.84 2.23 4.77 -1.26 0.15 117.00 120.55 3hoy n LEU 902 Ca 0.01 -1.88 -0.24 0.00 -0.03 0.00 0.00 56.01 53.86 3hoy n LEU 902 Cb 0.17 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 40.60 3hoy n LEU 902 CO 0.17 0.71 -0.41 0.21 -1.33 0.00 0.00 177.39 176.74 3hoy s ASN 903 N -0.87 1.79 0.26 -1.43 2.47 -0.98 -4.93 114.94 111.26 3hoy s ASN 903 Ca 0.41 -0.18 -0.03 0.00 0.42 0.00 0.00 52.86 53.48 3hoy s ASN 903 Cb 0.25 -0.62 0.55 0.00 -1.45 0.00 0.00 41.25 39.98 3hoy s ASN 903 CO 0.22 -0.15 1.64 0.74 -3.72 0.00 0.00 177.10 175.84 3hoy h THR 904 N 6.24 0.33 -0.00 -5.21 2.02 -1.88 -1.47 112.91 112.95 3hoy h THR 904 Ca -0.25 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3hoy h THR 904 Cb 1.13 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3hoy h THR 904 CO 0.34 0.03 -0.18 0.47 0.37 0.00 0.00 175.52 176.55 3hoy n ASP 905 N -5.29 0.19 -2.28 4.18 8.00 -1.26 -4.16 116.55 115.93 3hoy n ASP 905 Ca 0.17 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.73 3hoy n ASP 905 Cb 0.56 -0.22 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3hoy n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hoy n HIS 906 N -1.49 2.18 -3.91 1.24 8.25 -0.56 -5.06 115.22 115.86 3hoy n HIS 906 Ca 0.07 -2.17 -0.23 0.00 -0.26 0.00 0.00 57.72 55.13 3hoy n HIS 906 Cb 0.34 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.09 3hoy n HIS 906 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3hoy s THR 907 N -4.27 2.48 -0.25 1.59 -1.32 -1.14 -0.45 115.64 112.28 3hoy s THR 907 Ca 0.42 -1.56 -0.29 0.00 -1.21 0.00 0.00 61.69 59.06 3hoy s THR 907 Cb 0.38 -3.00 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 3hoy s THR 907 CO 0.01 -0.01 1.63 -0.76 -2.21 0.00 0.00 174.62 173.28 3hoy s LEU 908 N -3.99 3.82 0.41 9.08 1.43 -1.26 -4.93 118.68 123.24 3hoy s LEU 908 Ca 0.44 1.52 -0.25 0.00 -1.03 0.00 0.00 54.13 54.81 3hoy s LEU 908 Cb 0.01 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 3hoy s LEU 908 CO 0.25 -1.33 1.13 -0.67 0.23 0.00 0.00 176.35 175.96 3hoy n ASP 909 N 8.73 1.89 0.00 2.29 -0.08 -1.26 -4.78 116.55 123.33 3hoy n ASP 909 Ca 0.19 1.09 0.03 0.00 -1.51 0.00 0.00 54.79 54.59 3hoy n ASP 909 Cb 0.46 -1.42 0.17 0.00 2.34 0.00 0.00 41.12 42.67 3hoy n ASP 909 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hoy n PRO 910 N 0.17 0.18 0.04 -0.67 -0.04 -1.26 -1.68 135.00 131.74 3hoy n PRO 910 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 3hoy n PRO 910 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 3hoy n PRO 910 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hoy h SER 911 N 0.00 0.45 0.23 3.54 4.64 -1.99 -3.35 113.55 117.07 3hoy h SER 911 Ca 0.00 -0.92 -0.01 0.00 -0.47 0.00 0.00 61.79 60.39 3hoy h SER 911 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3hoy h SER 911 CO 0.00 1.47 -0.11 -0.07 -0.87 0.00 0.00 176.83 177.25 3hoy h LEU 912 N -0.34 -0.26-10.21 5.97 3.38 -1.65 -3.29 115.31 108.91 3hoy h LEU 912 Ca -0.20 -0.05 -0.46 0.00 0.09 0.00 0.00 57.88 57.27 3hoy h LEU 912 Cb 1.69 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 3hoy h LEU 912 CO 0.12 -0.12 -0.40 -0.22 0.09 0.00 0.00 178.44 177.91 3hoy s LEU 913 N -10.00 4.03 -0.02 1.67 2.96 -1.18 -0.72 118.68 115.42 3hoy s LEU 913 Ca -0.15 -0.14 0.17 0.00 -0.22 0.00 0.00 54.13 53.79 3hoy s LEU 913 Cb 0.04 -2.69 -0.20 0.00 0.50 0.00 0.00 46.19 43.85 3hoy s LEU 913 CO 0.64 -0.27 0.58 1.21 -1.32 0.00 0.00 176.35 177.19 3hoy n GLU 914 N -1.49 0.64 -1.18 1.98 2.13 -1.05 -3.84 120.64 117.82 3hoy n GLU 914 Ca -0.04 0.13 -0.25 0.00 0.66 0.00 0.00 57.16 57.66 3hoy n GLU 914 Cb 0.58 -1.70 0.15 0.00 0.27 0.00 0.00 31.44 30.74 3hoy n GLU 914 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3hoy n SER 915 N -2.80 4.46 0.00 4.31 3.41 -1.26 -4.79 113.62 116.96 3hoy n SER 915 Ca -0.15 -3.55 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 3hoy n SER 915 Cb 0.91 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3hoy n SER 915 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hoy n GLY 916 N -1.00 -3.19 0.32 5.00 0.00 -1.25 -2.40 105.19 102.67 3hoy n GLY 916 Ca 0.57 0.34 0.08 0.00 0.00 0.00 0.00 46.02 47.01 3hoy n GLY 916 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hoy h SER 917 N 0.00 0.56 0.00 1.61 4.64 -1.88 -0.91 113.55 117.57 3hoy h SER 917 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hoy h SER 917 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hoy h SER 917 CO 0.00 0.22 0.00 -1.84 -0.87 0.00 0.00 176.83 174.34 3hoy n GLU 918 N -4.86 0.72 -0.06 4.77 0.28 -1.23 -2.98 120.64 117.27 3hoy n GLU 918 Ca 0.18 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.16 3hoy n GLU 918 Cb 0.47 -1.48 -0.13 0.00 1.43 0.00 0.00 31.44 31.73 3hoy n GLU 918 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3hoy n ILE 919 N -0.98 0.73 -1.68 3.84 5.41 -0.36 -4.88 119.36 121.44 3hoy n ILE 919 Ca 0.16 -0.59 -0.55 0.00 1.00 0.00 0.00 62.75 62.77 3hoy n ILE 919 Cb 0.07 -0.34 -0.07 0.00 -0.71 0.00 0.00 39.64 38.60 3hoy n ILE 919 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3hoy n LEU 920 N -2.43 2.35 0.00 1.39 0.00 -1.15 -0.50 117.00 116.66 3hoy n LEU 920 Ca -0.19 1.07 0.00 0.00 0.00 0.00 0.00 56.01 56.90 3hoy n LEU 920 Cb 0.83 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 43.08 3hoy n LEU 920 CO 0.35 -0.51 0.00 0.61 0.00 0.00 0.00 177.39 177.84 3hoy n GLY 921 N 3.87 0.74 3.59 -3.96 0.00 0.41 -4.99 105.19 104.85 3hoy n GLY 921 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3hoy n GLY 921 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hoy s ASP 922 N -2.47 5.95 0.42 1.61 -1.08 0.34 -4.88 116.67 116.57 3hoy s ASP 922 Ca 0.00 0.81 0.09 0.00 -0.52 0.00 0.00 52.55 52.93 3hoy s ASP 922 Cb 0.00 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.84 3hoy s ASP 922 CO 0.00 -1.75 2.05 -0.07 0.52 0.00 0.00 175.17 175.92 3hoy h LEU 923 N 13.63 0.36 -0.15 -1.34 3.38 -1.94 -1.70 115.31 127.55 3hoy h LEU 923 Ca -0.29 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.43 3hoy h LEU 923 Cb 1.14 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3hoy h LEU 923 CO 1.11 0.30 -0.86 0.11 0.09 0.00 0.00 178.44 179.18 3hoy h LYS 924 N 0.42 0.69 -0.30 1.13 1.57 -1.99 -3.14 116.57 114.95 3hoy h LYS 924 Ca 0.11 -0.62 -0.13 0.00 -1.87 0.00 0.00 60.65 58.14 3hoy h LYS 924 Cb 0.02 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hoy h LYS 924 CO -0.02 1.23 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.68 3hoy h LEU 925 N 0.45 0.68 0.00 2.94 3.38 -1.91 -2.24 115.31 118.60 3hoy h LEU 925 Ca -0.07 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hoy h LEU 925 Cb 1.49 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3hoy h LEU 925 CO 0.17 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.66 3hoy n GLN 926 N -4.06 0.62 -0.03 1.13 1.13 -0.66 -0.88 117.38 114.63 3hoy n GLN 926 Ca -0.01 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.84 3hoy n GLN 926 Cb 0.48 -1.39 -0.13 0.00 0.11 0.00 0.00 30.24 29.31 3hoy n GLN 926 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3hoy h VAL 927 N 0.00 0.90 0.22 5.09 2.07 -1.36 -3.15 116.25 120.02 3hoy h VAL 927 Ca 0.00 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 3hoy h VAL 927 Cb 0.00 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3hoy h VAL 927 CO 0.00 0.63 -0.10 -0.07 0.02 0.00 0.00 177.57 178.05 3hoy h LEU 928 N -0.43 -0.25 -1.51 2.57 3.38 -1.45 -1.86 115.31 115.76 3hoy h LEU 928 Ca -0.35 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.35 3hoy h LEU 928 Cb 1.68 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 3hoy h LEU 928 CO -0.02 0.23 0.51 0.25 0.09 0.00 0.00 178.44 179.50 3hoy h LEU 929 N -0.81 0.00 0.00 1.67 7.12 -1.19 -0.01 115.31 122.09 3hoy h LEU 929 Ca -0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.98 3hoy h LEU 929 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 3hoy h LEU 929 CO 0.05 0.00 -0.20 0.44 -0.13 0.00 0.00 178.44 178.60 3hoy h ASP 930 N 0.00 0.00 -0.52 1.25 3.32 -1.46 -3.24 116.42 115.78 3hoy h ASP 930 Ca 0.01 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.23 3hoy h ASP 930 Cb 1.03 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.48 3hoy h ASP 930 CO -0.00 0.51 0.11 1.21 -1.72 0.00 0.00 179.24 179.34 3hoy n GLU 931 N -4.21 -0.04 0.00 3.56 2.13 -0.16 0.23 120.64 122.15 3hoy n GLU 931 Ca -0.03 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3hoy n GLU 931 Cb 0.10 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.56 3hoy n GLU 931 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3hoy n GLU 932 N -4.46 0.00 -0.57 5.31 2.13 -0.37 -2.20 120.64 120.48 3hoy n GLU 932 Ca 0.15 0.19 0.47 0.00 0.66 0.00 0.00 57.16 58.63 3hoy n GLU 932 Cb 0.50 -1.16 0.79 0.00 0.27 0.00 0.00 31.44 31.84 3hoy n GLU 932 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3hoy h TYR 933 N 0.00 0.06 0.00 4.31 3.20 -0.24 1.07 116.97 125.37 3hoy h TYR 933 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hoy h TYR 933 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3hoy h TYR 933 CO 0.05 -0.02 0.00 0.87 -1.64 0.00 0.00 178.16 177.42 3hoy h LYS 934 N 0.01 0.00 0.00 1.82 1.57 -0.91 -2.48 116.57 116.58 3hoy h LYS 934 Ca 0.82 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.53 3hoy h LYS 934 Cb 3.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 35.53 3hoy h LYS 934 CO -0.05 0.00 -0.44 0.37 -0.57 0.00 0.00 179.45 178.76 3hoy h GLN 935 N 0.00 0.00 -1.01 3.15 5.75 0.17 -2.96 115.11 120.20 3hoy h GLN 935 Ca 0.00 0.00 0.24 0.00 -0.15 0.00 0.00 58.65 58.74 3hoy h GLN 935 Cb 0.84 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.28 3hoy h GLN 935 CO 0.00 0.77 0.62 -0.07 -2.65 0.00 0.00 178.83 177.50 3hoy h LEU 936 N -1.00 0.63 -0.44 -2.39 3.38 -1.35 0.43 115.31 114.57 3hoy h LEU 936 Ca -0.11 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3hoy h LEU 936 Cb 0.91 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3hoy h LEU 936 CO -0.07 0.14 -0.40 0.58 0.09 0.00 0.00 178.44 178.78 3hoy h VAL 937 N 0.57 1.28 -0.04 1.22 2.07 -1.55 -1.53 116.25 118.26 3hoy h VAL 937 Ca 0.61 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 66.58 3hoy h VAL 937 Cb 1.22 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3hoy h VAL 937 CO -0.40 0.52 -0.17 0.50 0.02 0.00 0.00 177.57 178.04 3hoy h LYS 938 N 0.70 -0.25 0.19 1.57 3.64 -0.09 -1.90 116.57 120.44 3hoy h LYS 938 Ca 0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hoy h LYS 938 Cb 0.98 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 3hoy h LYS 938 CO 0.09 -0.17 -0.47 -0.44 -2.27 0.00 0.00 179.45 176.20 3hoy h ASP 939 N -0.26 -1.38 -1.31 4.20 3.32 -0.73 -0.48 116.42 119.78 3hoy h ASP 939 Ca 0.07 0.14 0.44 0.00 0.02 0.00 0.00 57.03 57.69 3hoy h ASP 939 Cb 0.35 0.50 -0.13 0.00 0.22 0.00 0.00 39.33 40.27 3hoy h ASP 939 CO -0.20 -0.52 0.84 -0.09 -1.72 0.00 0.00 179.24 177.55 3hoy h ARG 940 N -0.73 0.08 0.25 3.56 2.43 -0.90 0.62 114.38 119.69 3hoy h ARG 940 Ca -0.02 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hoy h ARG 940 Cb 0.70 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3hoy h ARG 940 CO -0.21 0.05 -0.12 0.87 -1.51 0.00 0.00 179.97 179.05 3hoy h LYS 941 N 0.08 -0.33 -0.94 0.20 1.79 -0.37 -2.86 116.57 114.14 3hoy h LYS 941 Ca 0.83 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 59.51 3hoy h LYS 941 Cb 2.57 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 33.22 3hoy h LYS 941 CO -0.44 0.02 0.61 0.35 -1.08 0.00 0.00 179.45 178.91 3hoy h PHE 942 N -0.93 0.73 -0.01 -1.35 3.57 0.15 -0.74 116.94 118.36 3hoy h PHE 942 Ca -0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hoy h PHE 942 Cb 0.49 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3hoy h PHE 942 CO 0.05 0.19 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.23 3hoy h LEU 943 N 0.54 0.04 -2.21 0.59 3.38 -0.62 -0.90 115.31 116.14 3hoy h LEU 943 Ca 0.51 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hoy h LEU 943 Cb 1.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3hoy h LEU 943 CO -0.24 0.56 0.06 0.03 0.09 0.00 0.00 178.44 178.94 3hoy h ARG 944 N -0.47 0.00 0.03 1.13 3.08 -1.05 0.17 114.38 117.27 3hoy h ARG 944 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hoy h ARG 944 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hoy h ARG 944 CO 0.00 0.00 -0.02 1.49 -1.07 0.00 0.00 179.97 180.38 3hoy h GLU 945 N 0.00 -0.04 0.47 0.04 4.81 -0.70 -3.26 114.58 115.90 3hoy h GLU 945 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3hoy h GLU 945 Cb 0.13 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hoy h GLU 945 CO 0.00 0.39 -0.26 0.28 -0.73 0.00 0.00 179.01 178.69 3hoy h VAL 946 N -0.99 0.00 -1.99 0.32 2.07 0.33 -3.27 116.25 112.72 3hoy h VAL 946 Ca -0.00 0.00 -0.77 0.00 0.82 0.00 0.00 66.70 66.75 3hoy h VAL 946 Cb 0.45 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.03 3hoy h VAL 946 CO 0.01 0.00 1.54 0.49 0.02 0.00 0.00 177.57 179.63 3hoy n PHE 947 N -3.94 3.34 -0.32 1.57 3.01 0.43 -4.84 117.46 116.71 3hoy n PHE 947 Ca -0.08 -2.93 0.30 0.00 1.01 0.00 0.00 57.45 55.75 3hoy n PHE 947 Cb 0.27 -1.83 0.56 0.00 -0.01 0.00 0.00 39.48 38.47 3hoy n PHE 947 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 3hoy n VAL 948 N 3.11 -0.41 -0.25 -4.37 0.24 -1.23 -0.90 118.33 114.52 3hoy n VAL 948 Ca 0.35 2.01 0.06 0.00 -2.04 0.00 0.00 64.34 64.72 3hoy n VAL 948 Cb 0.37 -3.23 0.18 0.00 -1.47 0.00 0.00 33.84 29.68 3hoy n VAL 948 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3hoy h ASP 949 N 0.00 -0.14 0.00 -1.34 1.82 -1.88 -3.46 116.42 111.43 3hoy h ASP 949 Ca 0.82 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.63 3hoy h ASP 949 Cb 2.14 0.26 0.00 0.00 0.68 0.00 0.00 39.33 42.41 3hoy h ASP 949 CO -0.77 -0.11 0.00 0.61 -1.61 0.00 0.00 179.24 177.37 3hoy n GLY 950 N -1.38 1.30 3.68 -0.78 0.00 -0.08 -4.77 105.19 103.15 3hoy n GLY 950 Ca 0.14 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.61 3hoy n GLY 950 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hoy n GLU 951 N -0.96 1.28 -0.03 1.61 4.07 -1.26 -4.61 120.64 120.74 3hoy n GLU 951 Ca 0.00 0.47 0.06 0.00 -0.06 0.00 0.00 57.16 57.63 3hoy n GLU 951 Cb 0.00 -2.16 0.07 0.00 -0.06 0.00 0.00 31.44 29.29 3hoy n GLU 951 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hoy n ALA 952 N 4.68 2.44 -3.12 4.31 0.00 -1.26 -4.91 120.51 122.65 3hoy n ALA 952 Ca 0.24 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 3hoy n ALA 952 Cb 0.17 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.09 3hoy n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hoy s ASN 953 N -1.03 5.71 0.03 0.00 0.01 -1.26 -0.54 114.94 117.86 3hoy s ASN 953 Ca 0.16 -1.35 0.03 0.00 -0.71 0.00 0.00 52.86 50.99 3hoy s ASN 953 Cb 0.11 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.74 3hoy s ASN 953 CO 0.16 -0.51 -0.11 0.26 -1.51 0.00 0.00 177.10 175.39 3hoy s TRP 954 N 1.48 0.93 0.00 2.20 0.52 -0.28 -4.89 118.94 118.90 3hoy s TRP 954 Ca 0.03 -0.34 -0.30 0.00 0.02 0.00 0.00 56.10 55.51 3hoy s TRP 954 Cb -0.22 -0.56 -0.05 0.00 -1.15 0.00 0.00 33.47 31.49 3hoy s TRP 954 CO 0.04 -0.01 1.31 -1.25 0.02 0.00 0.00 176.95 177.06 3hoy s PRO 955 N -1.04 4.33 -0.02 4.98 0.04 -1.26 -1.49 135.00 140.54 3hoy s PRO 955 Ca -0.01 1.86 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 3hoy s PRO 955 Cb -0.07 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.97 3hoy s PRO 955 CO 0.01 -0.48 0.15 -0.51 0.04 0.00 0.00 177.00 176.21 3hoy s LEU 956 N 2.02 1.47 1.13 -3.56 1.43 0.08 -4.86 118.68 116.40 3hoy s LEU 956 Ca 0.61 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 3hoy s LEU 956 Cb -0.30 0.63 0.18 0.00 0.03 0.00 0.00 46.19 46.74 3hoy s LEU 956 CO 0.26 -0.24 0.47 -0.81 0.23 0.00 0.00 176.35 176.26 3hoy n PRO 957 N 2.09 -1.89 -2.64 1.29 -0.04 -1.26 -3.31 135.00 129.25 3hoy n PRO 957 Ca -0.18 -0.53 -0.03 0.00 -0.04 0.00 0.00 63.50 62.72 3hoy n PRO 957 Cb 0.57 -1.92 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 3hoy n PRO 957 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hoy n VAL 958 N -4.62 -8.82 -2.49 0.52 0.31 -1.26 -4.77 118.33 97.20 3hoy n VAL 958 Ca 0.02 1.90 -0.41 0.00 -0.01 0.00 0.00 64.34 65.84 3hoy n VAL 958 Cb 0.58 -4.99 -0.03 0.00 -0.91 0.00 0.00 33.84 28.49 3hoy n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hoy s ASN 959 N -0.42 6.16 0.36 4.52 3.84 -1.26 -4.83 114.94 123.30 3hoy s ASN 959 Ca -0.15 -0.10 0.15 0.00 0.21 0.00 0.00 52.86 52.98 3hoy s ASN 959 Cb 0.01 -2.55 0.67 0.00 -0.55 0.00 0.00 41.25 38.82 3hoy s ASN 959 CO 0.39 -1.76 1.75 0.40 -2.79 0.00 0.00 177.10 175.09 3hoy h ILE 960 N 6.20 1.12 0.05 -5.21 2.04 -1.94 -2.89 117.51 116.87 3hoy h ILE 960 Ca -0.27 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 3hoy h ILE 960 Cb 1.07 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3hoy h ILE 960 CO 1.23 0.41 -0.02 -0.09 0.00 0.00 0.00 178.15 179.68 3hoy h ARG 961 N 0.00 -0.06 -0.27 2.37 1.12 -2.00 -2.73 114.38 112.80 3hoy h ARG 961 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3hoy h ARG 961 Cb 0.84 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.80 3hoy h ARG 961 CO 0.05 0.21 0.18 0.00 -3.11 0.00 0.00 179.97 177.31 3hoy h ARG 962 N -0.34 0.36 -1.09 0.20 3.08 -1.98 0.03 114.38 114.64 3hoy h ARG 962 Ca -0.01 -0.02 0.30 0.00 0.07 0.00 0.00 59.98 60.32 3hoy h ARG 962 Cb 0.30 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.18 3hoy h ARG 962 CO 0.01 0.24 0.71 0.82 -1.07 0.00 0.00 179.97 180.68 3hoy h ILE 963 N 0.37 0.45 0.24 2.04 2.04 -1.44 0.40 117.51 121.60 3hoy h ILE 963 Ca 0.10 -0.11 -0.33 0.00 1.00 0.00 0.00 64.86 65.52 3hoy h ILE 963 Cb -0.04 0.10 0.03 0.00 -0.74 0.00 0.00 36.82 36.18 3hoy h ILE 963 CO -0.02 0.06 -1.48 0.40 0.00 0.00 0.00 178.15 177.11 3hoy h ILE 964 N 0.32 1.23 -0.85 -0.67 2.04 -1.02 -2.80 117.51 115.76 3hoy h ILE 964 Ca 0.63 -2.65 0.17 0.00 1.00 0.00 0.00 64.86 64.01 3hoy h ILE 964 Cb 1.73 3.01 -0.10 0.00 -0.74 0.00 0.00 36.82 40.72 3hoy h ILE 964 CO -0.30 0.81 0.40 1.56 0.00 0.00 0.00 178.15 180.62 3hoy h GLN 965 N 0.09 0.50 0.47 2.37 4.20 0.16 -0.22 115.11 122.69 3hoy h GLN 965 Ca -0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 3hoy h GLN 965 Cb 2.12 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.79 3hoy h GLN 965 CO 0.25 0.33 -0.23 -0.91 -0.67 0.00 0.00 178.83 177.60 3hoy h ASN 966 N 0.52 -0.54 -0.71 1.46 2.35 -1.16 -2.97 115.58 114.54 3hoy h ASN 966 Ca 0.49 -0.08 0.13 0.00 -0.55 0.00 0.00 56.30 56.29 3hoy h ASN 966 Cb 0.79 0.14 -0.13 0.00 0.05 0.00 0.00 38.32 39.17 3hoy h ASN 966 CO -0.43 -0.17 -0.20 0.00 -1.65 0.00 0.00 177.43 174.98 3hoy n ALA 967 N -2.56 0.11 -1.00 -0.83 0.00 -0.33 -1.46 120.51 114.43 3hoy n ALA 967 Ca -0.10 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3hoy n ALA 967 Cb 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3hoy n ALA 967 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hoy n GLN 968 N -5.12 0.00 -0.17 0.00 6.02 -0.24 -2.56 117.38 115.31 3hoy n GLN 968 Ca 0.10 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3hoy n GLN 968 Cb 0.34 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.60 3hoy n GLN 968 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hoy n GLN 969 N -0.56 0.80 -0.04 -1.09 -0.00 -0.99 -0.77 117.38 114.72 3hoy n GLN 969 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.95 3hoy n GLN 969 Cb 0.00 -1.10 -0.05 0.00 -0.00 0.00 0.00 30.24 29.09 3hoy n GLN 969 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3hoy n THR 970 N 1.02 0.51 0.63 -0.39 -1.04 -0.53 -4.53 114.28 109.95 3hoy n THR 970 Ca 0.00 -0.26 0.07 0.00 -2.04 0.00 0.00 64.05 61.83 3hoy n THR 970 Cb 0.40 -0.82 0.04 0.00 -1.82 0.00 0.00 70.33 68.13 3hoy n THR 970 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3hoy n PHE 971 N -2.50 0.00 -3.49 -1.42 3.01 -0.40 -5.01 117.46 107.65 3hoy n PHE 971 Ca -0.14 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.11 3hoy n PHE 971 Cb 0.70 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.23 3hoy n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3hoy n HIS 972 N 0.49 -2.15 -2.53 1.38 8.25 0.05 -4.91 115.22 115.79 3hoy n HIS 972 Ca 0.08 0.75 -0.43 0.00 -0.26 0.00 0.00 57.72 57.86 3hoy n HIS 972 Cb 0.35 -4.09 -0.02 0.00 1.12 0.00 0.00 29.99 27.35 3hoy n HIS 972 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hoy s ILE 973 N -3.47 4.45 -0.27 1.59 1.01 -1.18 -5.02 121.20 118.30 3hoy s ILE 973 Ca 0.32 1.75 -0.13 0.00 0.00 0.00 0.00 60.65 62.59 3hoy s ILE 973 Cb -0.07 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3hoy s ILE 973 CO 0.79 -0.07 0.27 1.51 0.00 0.00 0.00 174.94 177.44 3hoy s ASP 974 N 1.50 6.13 0.00 3.58 -4.77 -1.26 -4.94 116.67 116.91 3hoy s ASP 974 Ca 0.52 0.13 0.00 0.00 -3.30 0.00 0.00 52.55 49.90 3hoy s ASP 974 Cb -0.21 -2.16 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 3hoy s ASP 974 CO 0.16 -0.11 0.16 1.41 0.70 0.00 0.00 175.17 177.49 3hoy n HIS 975 N 5.16 0.00 -0.07 2.11 8.25 -1.26 -2.66 115.22 126.75 3hoy n HIS 975 Ca -0.12 -0.06 -0.15 0.00 -0.26 0.00 0.00 57.72 57.14 3hoy n HIS 975 Cb 0.51 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 3hoy n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hoy n THR 976 N 0.69 0.76 -1.56 1.59 -2.24 -1.26 -5.05 114.28 107.21 3hoy n THR 976 Ca 0.00 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 3hoy n THR 976 Cb 0.08 -1.66 0.14 0.00 -2.10 0.00 0.00 70.33 66.79 3hoy n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hoy s LYS 977 N -2.25 1.12 -0.04 -0.78 1.02 -1.09 -5.00 119.74 112.72 3hoy s LYS 977 Ca -0.19 0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 3hoy s LYS 977 Cb 0.07 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.49 3hoy s LYS 977 CO 0.25 -2.21 0.30 -1.25 -0.92 0.00 0.00 175.35 171.52 3hoy s PRO 978 N -5.32 3.70 1.45 -1.68 0.04 -1.24 -4.85 135.00 127.10 3hoy s PRO 978 Ca 0.64 0.15 -0.24 0.00 0.04 0.00 0.00 61.00 61.59 3hoy s PRO 978 Cb -0.14 -3.18 0.37 0.00 0.04 0.00 0.00 34.50 31.60 3hoy s PRO 978 CO 0.53 0.71 0.93 0.45 0.04 0.00 0.00 177.00 179.66 3hoy s SER 979 N -1.18 -1.27 -0.30 6.66 0.15 0.10 -4.69 113.70 113.16 3hoy s SER 979 Ca 0.22 0.75 0.19 0.00 0.70 0.00 0.00 55.95 57.81 3hoy s SER 979 Cb -0.14 -1.03 0.48 0.00 -1.71 0.00 0.00 66.02 63.61 3hoy s SER 979 CO 0.11 -5.48 1.03 -0.90 1.20 0.00 0.00 173.24 169.20 3hoy n ASP 980 N -5.70 1.83 -4.75 5.45 5.75 -1.26 -2.54 116.55 115.32 3hoy n ASP 980 Ca 0.14 -2.55 -0.36 0.00 -0.01 0.00 0.00 54.79 52.02 3hoy n ASP 980 Cb 0.61 -0.50 -0.08 0.00 -1.03 0.00 0.00 41.12 40.12 3hoy n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hoy s LEU 981 N -3.43 3.95 0.53 -2.12 1.43 -1.26 -4.37 118.68 113.42 3hoy s LEU 981 Ca 0.29 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.50 3hoy s LEU 981 Cb 0.40 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 3hoy s LEU 981 CO -0.00 0.35 1.00 -0.89 0.23 0.00 0.00 176.35 177.04 3hoy s THR 982 N -0.70 4.45 0.38 5.49 2.01 -1.26 -4.77 115.64 121.24 3hoy s THR 982 Ca 0.12 1.15 0.30 0.00 0.31 0.00 0.00 61.69 63.57 3hoy s THR 982 Cb -0.12 -3.69 0.32 0.00 0.01 0.00 0.00 72.50 69.02 3hoy s THR 982 CO 0.03 -0.70 2.08 -0.29 -0.69 0.00 0.00 174.62 175.04 3hoy h ILE 983 N 0.77 0.44 -0.08 1.82 2.10 -1.98 -1.16 117.51 119.41 3hoy h ILE 983 Ca -0.47 -0.52 -0.13 0.00 1.08 0.00 0.00 64.86 64.83 3hoy h ILE 983 Cb 1.19 1.36 0.01 0.00 -1.09 0.00 0.00 36.82 38.28 3hoy h ILE 983 CO 0.61 0.10 -0.45 0.11 -1.08 0.00 0.00 178.15 177.43 3hoy h LYS 984 N 0.00 0.45 -0.41 2.19 1.57 -1.98 -2.82 116.57 115.57 3hoy h LYS 984 Ca -0.00 -0.38 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 3hoy h LYS 984 Cb 0.35 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 3hoy h LYS 984 CO 0.01 1.01 -0.31 -0.44 -0.57 0.00 0.00 179.45 179.16 3hoy h ASP 985 N 0.01 -1.10 0.00 0.86 3.32 -1.56 0.49 116.42 118.44 3hoy h ASP 985 Ca -0.03 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hoy h ASP 985 Cb 1.11 0.47 0.00 0.00 0.22 0.00 0.00 39.33 41.13 3hoy h ASP 985 CO 0.09 -0.16 0.00 -0.38 -1.72 0.00 0.00 179.24 177.07 3hoy n ILE 986 N -4.18 0.00 -0.35 0.35 5.41 -1.05 -1.01 119.36 118.53 3hoy n ILE 986 Ca -0.00 1.11 0.11 0.00 1.00 0.00 0.00 62.75 64.96 3hoy n ILE 986 Cb 0.16 -1.96 0.22 0.00 -0.71 0.00 0.00 39.64 37.35 3hoy n ILE 986 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hoy n VAL 987 N -1.01 -0.41 0.15 1.39 0.31 -1.06 -0.73 118.33 116.97 3hoy n VAL 987 Ca 0.00 2.20 0.02 0.00 -0.01 0.00 0.00 64.34 66.56 3hoy n VAL 987 Cb 0.00 -3.14 0.17 0.00 -0.91 0.00 0.00 33.84 29.96 3hoy n VAL 987 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hoy h LEU 988 N 0.00 0.00 0.12 7.52 3.38 -0.04 -2.47 115.31 123.82 3hoy h LEU 988 Ca 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 3hoy h LEU 988 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3hoy h LEU 988 CO -0.96 0.52 -0.06 1.23 0.09 0.00 0.00 178.44 179.25 3hoy h GLY 989 N 2.57 -0.17 0.58 0.83 0.00 0.83 -0.80 103.07 106.92 3hoy h GLY 989 Ca -0.01 0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.45 3hoy h GLY 989 CO 0.07 -0.06 0.18 -2.08 0.00 0.00 0.00 176.54 174.64 3hoy h VAL 990 N -0.79 0.86 -0.60 4.60 2.07 -1.49 0.94 116.25 121.83 3hoy h VAL 990 Ca -0.02 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3hoy h VAL 990 Cb 0.56 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3hoy h VAL 990 CO 0.03 0.06 0.37 0.50 0.02 0.00 0.00 177.57 178.55 3hoy h LYS 991 N 0.36 0.81 -0.01 1.57 3.64 -1.47 -2.70 116.57 118.76 3hoy h LYS 991 Ca 0.22 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 3hoy h LYS 991 Cb 0.22 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3hoy h LYS 991 CO -0.22 0.56 -0.86 0.22 -2.27 0.00 0.00 179.45 176.88 3hoy h ASP 992 N 0.83 0.77 -0.37 4.20 1.82 0.70 -3.34 116.42 121.04 3hoy h ASP 992 Ca 0.22 -0.74 0.08 0.00 -0.39 0.00 0.00 57.03 56.20 3hoy h ASP 992 Cb -0.05 -0.24 -0.09 0.00 0.68 0.00 0.00 39.33 39.64 3hoy h ASP 992 CO -0.04 1.41 -0.31 0.25 -1.61 0.00 0.00 179.24 178.94 3hoy h LEU 993 N 0.22 -1.01 -1.63 2.28 5.85 0.11 -0.61 115.31 120.52 3hoy h LEU 993 Ca -0.10 0.18 0.38 0.00 0.84 0.00 0.00 57.88 59.18 3hoy h LEU 993 Cb 1.53 0.48 -0.09 0.00 0.37 0.00 0.00 40.66 42.95 3hoy h LEU 993 CO 0.17 -0.31 0.87 1.56 -0.34 0.00 0.00 178.44 180.39 3hoy h GLN 994 N -0.25 0.13 0.00 1.25 4.20 -1.65 0.87 115.11 119.67 3hoy h GLN 994 Ca 0.17 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3hoy h GLN 994 Cb 0.52 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3hoy h GLN 994 CO -0.51 0.09 0.00 0.39 -0.67 0.00 0.00 178.83 178.13 3hoy n GLU 995 N -4.44 0.10 0.00 1.46 -0.58 -0.23 -2.11 120.64 114.83 3hoy n GLU 995 Ca 0.32 0.57 0.07 0.00 -0.42 0.00 0.00 57.16 57.70 3hoy n GLU 995 Cb 1.30 -1.81 -0.02 0.00 -0.57 0.00 0.00 31.44 30.34 3hoy n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hoy n ASN 996 N -2.03 1.35 -3.67 1.62 3.02 0.30 -4.75 115.26 111.11 3hoy n ASN 996 Ca -0.01 -1.17 -0.42 0.00 -0.03 0.00 0.00 54.58 52.96 3hoy n ASN 996 Cb 0.05 0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.80 3hoy n ASN 996 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hoy n LEU 997 N -0.41 6.98 -4.68 3.41 4.77 -0.90 -4.93 117.00 121.23 3hoy n LEU 997 Ca 0.05 -4.11 -0.43 0.00 -0.03 0.00 0.00 56.01 51.50 3hoy n LEU 997 Cb 0.29 -1.62 -0.02 0.00 -2.33 0.00 0.00 43.42 39.74 3hoy n LEU 997 CO 0.21 1.17 0.81 -0.76 -1.33 0.00 0.00 177.39 177.48 3hoy s LEU 998 N 1.88 4.23 -0.16 2.23 1.02 -1.26 -4.90 118.68 121.72 3hoy s LEU 998 Ca 0.50 1.53 -0.03 0.00 0.02 0.00 0.00 54.13 56.15 3hoy s LEU 998 Cb 0.15 -3.55 -0.08 0.00 0.02 0.00 0.00 46.19 42.72 3hoy s LEU 998 CO -0.08 -0.47 -0.17 0.52 0.02 0.00 0.00 176.35 176.17 3hoy n VAL 999 N 4.62 0.87 -4.36 -1.59 0.31 -1.26 -4.89 118.33 112.04 3hoy n VAL 999 Ca 0.09 -0.28 -0.24 0.00 -0.01 0.00 0.00 64.34 63.90 3hoy n VAL 999 Cb 0.48 -1.37 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 3hoy n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hoy s LEU 1000N -6.37 2.89 -0.13 7.52 1.02 -1.26 -5.00 118.68 117.35 3hoy s LEU 1000Ca -0.21 -0.77 0.19 0.00 0.02 0.00 0.00 54.13 53.36 3hoy s LEU 1000Cb 0.07 -1.46 0.44 0.00 0.02 0.00 0.00 46.19 45.26 3hoy s LEU 1000CO 0.32 0.05 1.18 0.54 0.02 0.00 0.00 176.35 178.45 3hoy n ARG 1001N -0.49 1.13 -2.48 1.70 1.74 -1.26 -4.94 116.66 112.05 3hoy n ARG 1001Ca -0.08 -2.85 -0.37 0.00 -0.77 0.00 0.00 57.85 53.78 3hoy n ARG 1001Cb 0.58 -0.97 -0.04 0.00 -1.02 0.00 0.00 32.46 31.02 3hoy n ARG 1001CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hoy s GLY 1002N -2.83 2.82 -0.94 -0.13 0.00 -1.26 -4.95 107.32 100.04 3hoy s GLY 1002Ca 0.36 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 45.85 3hoy s GLY 1002CO -0.10 1.26 1.82 1.17 0.00 0.00 0.00 173.10 177.25 3hoy n LYS 1003N 0.17 4.52 -3.63 2.90 4.81 -1.26 -4.46 118.16 121.20 3hoy n LYS 1003Ca 0.04 -4.35 -0.10 0.00 -0.87 0.00 0.00 58.31 53.02 3hoy n LYS 1003Cb 0.48 -2.40 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 3hoy n LYS 1003CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3hoy s ASN 1004N -1.44 -0.25 0.14 3.14 2.20 -1.26 -5.09 114.94 112.38 3hoy s ASN 1004Ca 0.43 -0.32 -0.15 0.00 -0.94 0.00 0.00 52.86 51.89 3hoy s ASN 1004Cb 0.27 0.49 0.02 0.00 -2.00 0.00 0.00 41.25 40.03 3hoy s ASN 1004CO -0.21 -0.88 1.70 -0.08 -2.94 0.00 0.00 177.10 174.69 3hoy h GLU 1005N 2.33 0.68 0.23 3.55 4.57 -1.99 -1.85 114.58 122.10 3hoy h GLU 1005Ca -0.34 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 57.73 3hoy h GLU 1005Cb 1.26 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 3hoy h GLU 1005CO 0.46 0.62 -0.49 0.82 -1.18 0.00 0.00 179.01 179.24 3hoy h ILE 1006N 0.60 0.06 -0.50 2.32 2.04 -1.98 -0.57 117.51 119.47 3hoy h ILE 1006Ca 0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.07 3hoy h ILE 1006Cb 0.19 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 3hoy h ILE 1006CO -0.01 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.74 3hoy h ILE 1007N -0.79 0.87 -0.97 -0.67 1.08 -1.89 -1.29 117.51 113.84 3hoy h ILE 1007Ca -0.01 -0.13 0.09 0.00 -0.39 0.00 0.00 64.86 64.41 3hoy h ILE 1007Cb 0.77 0.44 -0.07 0.00 -3.07 0.00 0.00 36.82 34.88 3hoy h ILE 1007CO -0.21 0.07 0.61 1.56 -0.69 0.00 0.00 178.15 179.49 3hoy h GLN 1008N 0.39 1.01 -0.08 2.37 1.08 -0.94 0.17 115.11 119.11 3hoy h GLN 1008Ca 0.23 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3hoy h GLN 1008Cb 0.22 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3hoy h GLN 1008CO -0.22 0.67 0.03 -0.91 -0.95 0.00 0.00 178.83 177.46 3hoy h ASN 1009N 1.04 0.11 -0.82 1.46 2.35 -0.27 -1.74 115.58 117.71 3hoy h ASN 1009Ca 0.45 -0.15 0.20 0.00 -0.55 0.00 0.00 56.30 56.24 3hoy h ASN 1009Cb 0.31 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.53 3hoy h ASN 1009CO -0.22 0.23 0.23 0.00 -1.65 0.00 0.00 177.43 176.02 3hoy h ALA 1010N 0.88 1.15 0.38 -0.83 0.00 0.02 -0.54 119.26 120.32 3hoy h ALA 1010Ca 0.03 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hoy h ALA 1010Cb 0.15 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hoy h ALA 1010CO -0.00 -0.38 -0.24 0.37 0.00 0.00 0.00 179.25 178.99 3hoy h GLN 1011N 0.27 -0.58 -0.98 0.00 5.75 -0.17 -1.84 115.11 117.56 3hoy h GLN 1011Ca 0.49 0.04 0.11 0.00 -0.15 0.00 0.00 58.65 59.14 3hoy h GLN 1011Cb 0.91 0.13 -0.08 0.00 1.07 0.00 0.00 27.48 29.51 3hoy h GLN 1011CO -0.57 -0.39 0.62 0.00 -2.65 0.00 0.00 178.83 175.84 3hoy h ARG 1012N -0.60 0.95 0.29 1.69 3.08 -0.32 -2.82 114.38 116.64 3hoy h ARG 1012Ca -0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3hoy h ARG 1012Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3hoy h ARG 1012CO 0.03 0.63 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.96 3hoy h ASP 1013N 0.98 -0.41 0.00 7.04 3.32 -0.81 -2.24 116.42 124.30 3hoy h ASP 1013Ca 0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3hoy h ASP 1013Cb 0.46 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3hoy h ASP 1013CO -0.24 -0.26 0.73 0.00 -1.72 0.00 0.00 179.24 177.76 3hoy h ALA 1014N -1.70 1.69 -0.00 3.45 0.00 -1.10 0.22 119.26 121.82 3hoy h ALA 1014Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hoy h ALA 1014Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hoy h ALA 1014CO 0.05 -0.69 -0.52 0.28 0.00 0.00 0.00 179.25 178.37 3hoy n VAL 1015N -2.47 0.00 -0.30 0.00 0.31 -1.10 -4.75 118.33 110.02 3hoy n VAL 1015Ca -0.01 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 3hoy n VAL 1015Cb 0.75 1.01 -0.08 0.00 -0.91 0.00 0.00 33.84 34.61 3hoy n VAL 1015CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3hoy h THR 1016N 0.14 0.01 -0.46 2.52 2.02 0.06 -1.16 112.91 116.04 3hoy h THR 1016Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3hoy h THR 1016Cb 0.29 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3hoy h THR 1016CO 0.00 0.00 0.10 0.25 0.37 0.00 0.00 175.52 176.24 3hoy h LEU 1017N -0.16 0.71 -0.61 2.58 5.85 -1.85 -2.32 115.31 119.50 3hoy h LEU 1017Ca 0.15 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.70 3hoy h LEU 1017Cb 0.50 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3hoy h LEU 1017CO -0.80 0.77 0.27 0.15 -0.34 0.00 0.00 178.44 178.49 3hoy h PHE 1018N 0.61 0.49 -0.16 1.25 3.57 -1.71 -2.14 116.94 118.84 3hoy h PHE 1018Ca 0.14 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3hoy h PHE 1018Cb 0.35 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3hoy h PHE 1018CO 0.02 0.18 0.05 0.00 -2.23 0.00 0.00 178.31 176.33 3hoy h LEU 1021N 0.47 0.25 0.25 0.00 5.85 -0.62 0.22 115.31 121.73 3hoy h LEU 1021Ca 0.60 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3hoy h LEU 1021Cb 1.38 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3hoy h LEU 1021CO -0.35 0.55 -0.29 0.25 -0.34 0.00 0.00 178.44 178.26 3hoy h LEU 1022N -0.05 -0.78 -1.38 2.25 5.85 0.30 -1.78 115.31 119.71 3hoy h LEU 1022Ca 0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3hoy h LEU 1022Cb 0.43 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3hoy h LEU 1022CO 0.01 -0.41 0.13 0.03 -0.34 0.00 0.00 178.44 177.86 3hoy h ARG 1023N -0.59 0.55 -0.63 1.25 3.08 -0.24 0.23 114.38 118.04 3hoy h ARG 1023Ca -0.00 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.06 3hoy h ARG 1023Cb 0.55 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 3hoy h ARG 1023CO -0.08 0.48 0.25 1.03 -1.07 0.00 0.00 179.97 180.58 3hoy h SER 1024N 0.54 0.27 0.14 7.04 0.87 -0.24 -2.84 113.55 119.34 3hoy h SER 1024Ca 0.13 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3hoy h SER 1024Cb 0.15 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3hoy h SER 1024CO -0.01 0.16 -0.56 0.54 -0.53 0.00 0.00 176.83 176.43 3hoy n ARG 1025N -4.97 0.60 -2.06 2.24 5.12 -0.74 -4.29 116.66 112.56 3hoy n ARG 1025Ca 0.09 -0.44 -0.24 0.00 -1.93 0.00 0.00 57.85 55.32 3hoy n ARG 1025Cb 0.27 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 30.10 3hoy n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hoy n LEU 1026N -0.81 4.91 -4.78 0.55 4.77 -0.00 -4.62 117.00 117.02 3hoy n LEU 1026Ca 0.08 -4.79 -0.39 0.00 -0.03 0.00 0.00 56.01 50.88 3hoy n LEU 1026Cb 0.38 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3hoy n LEU 1026CO 0.33 2.12 0.52 0.00 -1.33 0.00 0.00 177.39 179.02 3hoy s ALA 1027N -3.59 3.41 0.22 -1.18 0.00 -1.16 -4.84 121.76 114.62 3hoy s ALA 1027Ca 0.51 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 3hoy s ALA 1027Cb 0.41 -3.00 0.29 0.00 0.00 0.00 0.00 23.12 20.82 3hoy s ALA 1027CO 0.02 0.27 1.63 1.15 0.00 0.00 0.00 175.76 178.84 3hoy h THR 1028N 3.17 0.37 -0.26 0.00 2.02 -1.92 -0.38 112.91 115.91 3hoy h THR 1028Ca -0.47 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 66.76 3hoy h THR 1028Cb 1.20 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 3hoy h THR 1028CO 0.66 0.01 -0.17 0.03 0.37 0.00 0.00 175.52 176.42 3hoy h ARG 1029N 0.03 -0.15 0.68 6.66 2.47 -1.84 -2.85 114.38 119.39 3hoy h ARG 1029Ca 0.33 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.03 3hoy h ARG 1029Cb 0.53 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.89 3hoy h ARG 1029CO -0.64 -0.10 -0.33 -0.09 0.56 0.00 0.00 179.97 179.37 3hoy h ARG 1030N -0.15 -0.88 -0.06 0.04 2.43 -1.55 0.47 114.38 114.67 3hoy h ARG 1030Ca 0.14 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3hoy h ARG 1030Cb 0.37 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hoy h ARG 1030CO -0.35 -0.56 0.53 0.28 -1.51 0.00 0.00 179.97 178.36 3hoy h VAL 1031N -1.05 0.03 0.00 0.20 2.07 -1.09 -0.68 116.25 115.73 3hoy h VAL 1031Ca -0.09 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 3hoy h VAL 1031Cb 0.73 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3hoy h VAL 1031CO 0.15 0.00 -1.38 0.18 0.02 0.00 0.00 177.57 176.55 3hoy n LEU 1032N -2.86 0.97 0.03 2.57 4.77 -1.08 -3.04 117.00 118.36 3hoy n LEU 1032Ca -0.00 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 3hoy n LEU 1032Cb 0.59 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 3hoy n LEU 1032CO 0.11 0.06 0.17 -0.61 -1.33 0.00 0.00 177.39 175.79 3hoy h GLN 1033N -0.42 0.65 0.00 3.23 4.15 -0.01 -3.35 115.11 119.36 3hoy h GLN 1033Ca -0.23 -0.64 0.00 0.00 0.77 0.00 0.00 58.65 58.55 3hoy h GLN 1033Cb 1.07 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.93 3hoy h GLN 1033CO -0.14 1.24 0.00 0.39 -1.93 0.00 0.00 178.83 178.39 3hoy n GLU 1034N -3.85 0.00 -2.89 1.69 1.02 -0.32 -4.72 120.64 111.57 3hoy n GLU 1034Ca -0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 3hoy n GLU 1034Cb 0.83 -0.37 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 3hoy n GLU 1034CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3hoy s TYR 1035N 0.00 2.89 0.00 -0.32 1.51 -0.85 -4.91 117.35 115.67 3hoy s TYR 1035Ca 0.00 0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 56.14 3hoy s TYR 1035Cb 0.00 -3.91 -0.01 0.00 -0.11 0.00 0.00 41.96 37.93 3hoy s TYR 1035CO 0.00 -1.19 0.38 0.54 -1.11 0.00 0.00 175.55 174.18 3hoy n ARG 1036N 7.13 0.15 -1.53 -0.62 5.12 -1.26 -3.85 116.66 121.79 3hoy n ARG 1036Ca 0.02 -0.03 -0.46 0.00 -1.93 0.00 0.00 57.85 55.46 3hoy n ARG 1036Cb 0.48 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 30.29 3hoy n ARG 1036CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hoy n LEU 1037N 2.17 0.90 -4.92 0.55 4.77 -1.17 -4.79 117.00 114.51 3hoy n LEU 1037Ca 0.01 1.16 -0.20 0.00 -0.03 0.00 0.00 56.01 56.96 3hoy n LEU 1037Cb 0.07 -1.19 -0.02 0.00 -2.33 0.00 0.00 43.42 39.95 3hoy n LEU 1037CO 0.05 -1.87 -0.01 0.42 -1.33 0.00 0.00 177.39 174.65 3hoy s THR 1038N -1.04 3.89 0.30 -5.08 -4.23 -1.26 -4.70 115.64 103.51 3hoy s THR 1038Ca 0.60 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 3hoy s THR 1038Cb -0.77 -3.33 0.29 0.00 1.34 0.00 0.00 72.50 70.04 3hoy s THR 1038CO 0.59 -0.18 1.71 0.50 -0.54 0.00 0.00 174.62 176.70 3hoy h LYS 1039N 1.08 0.45 0.49 3.99 1.63 -1.94 -0.34 116.57 121.92 3hoy h LYS 1039Ca -0.46 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.29 3hoy h LYS 1039Cb 1.25 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3hoy h LYS 1039CO 0.56 0.30 -0.23 0.37 -3.45 0.00 0.00 179.45 176.99 3hoy h GLN 1040N 0.47 -0.63 -0.90 1.90 4.15 -1.94 -1.82 115.11 116.34 3hoy h GLN 1040Ca 0.58 0.04 0.16 0.00 0.77 0.00 0.00 58.65 60.21 3hoy h GLN 1040Cb 1.09 0.14 -0.16 0.00 0.21 0.00 0.00 27.48 28.76 3hoy h GLN 1040CO -0.50 -0.42 -0.29 0.00 -1.93 0.00 0.00 178.83 175.69 3hoy h ALA 1041N -1.65 0.40 0.07 3.38 0.00 -1.74 -0.25 119.26 119.46 3hoy h ALA 1041Ca -0.07 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3hoy h ALA 1041Cb 0.50 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3hoy h ALA 1041CO 0.11 -0.49 -0.27 0.35 0.00 0.00 0.00 179.25 178.95 3hoy h PHE 1042N -0.02 -0.72 -0.26 0.00 3.57 -1.06 0.15 116.94 118.60 3hoy h PHE 1042Ca 0.39 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.98 3hoy h PHE 1042Cb 0.63 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3hoy h PHE 1042CO -0.75 -0.37 0.38 -0.44 -2.23 0.00 0.00 178.31 174.90 3hoy h ASP 1043N -0.45 0.00 0.00 0.41 5.19 -0.17 -0.37 116.42 121.03 3hoy h ASP 1043Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3hoy h ASP 1043Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3hoy h ASP 1043CO -0.19 0.00 -0.05 -0.25 -3.12 0.00 0.00 179.24 175.63 3hoy h TRP 1044N 0.00 0.00 -0.70 4.55 7.01 -0.17 -2.95 115.95 123.69 3hoy h TRP 1044Ca 0.12 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.24 3hoy h TRP 1044Cb 0.87 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.81 3hoy h TRP 1044CO 0.00 0.00 -0.35 0.28 -2.79 0.00 0.00 178.44 175.58 3hoy h VAL 1045N -0.93 0.12 -0.61 2.65 2.07 -0.24 0.45 116.25 119.75 3hoy h VAL 1045Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3hoy h VAL 1045Cb 0.05 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 29.85 3hoy h VAL 1045CO 0.00 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.61 3hoy h LEU 1046N -0.12 -0.09 -0.74 2.57 3.38 -1.23 -1.40 115.31 117.68 3hoy h LEU 1046Ca 0.26 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.41 3hoy h LEU 1046Cb 0.56 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 3hoy h LEU 1046CO -0.76 -0.04 0.44 -1.28 0.09 0.00 0.00 178.44 176.89 3hoy h SER 1047N 0.21 0.68 0.35 -0.43 0.87 0.05 -2.57 113.55 112.70 3hoy h SER 1047Ca 0.33 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 3hoy h SER 1047Cb 0.51 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3hoy h SER 1047CO -0.45 0.44 -0.17 0.78 -0.53 0.00 0.00 176.83 176.90 3hoy h ASN 1048N 0.81 -0.39 -0.50 6.23 2.35 -0.57 -2.33 115.58 121.19 3hoy h ASN 1048Ca 0.32 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.21 3hoy h ASN 1048Cb 0.16 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.54 3hoy h ASN 1048CO -0.17 -0.14 -0.03 -0.38 -1.65 0.00 0.00 177.43 175.06 3hoy n ILE 1049N -4.01 -0.21 0.13 2.81 5.41 -0.60 0.58 119.36 123.48 3hoy n ILE 1049Ca -0.06 1.11 -0.05 0.00 1.00 0.00 0.00 62.75 64.75 3hoy n ILE 1049Cb 0.18 -1.59 -0.03 0.00 -0.71 0.00 0.00 39.64 37.50 3hoy n ILE 1049CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3hoy h GLU 1050N 0.00 -0.33 -0.44 0.38 4.81 -1.31 -0.46 114.58 117.23 3hoy h GLU 1050Ca 0.28 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 3hoy h GLU 1050Cb 0.54 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.91 3hoy h GLU 1050CO -0.48 -0.22 -0.53 0.00 -0.73 0.00 0.00 179.01 177.05 3hoy h ALA 1051N -1.82 -0.68 -0.61 2.92 0.00 0.70 -0.61 119.26 119.16 3hoy h ALA 1051Ca -0.03 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3hoy h ALA 1051Cb 0.26 1.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 3hoy h ALA 1051CO 0.05 -1.00 -0.30 0.37 0.00 0.00 0.00 179.25 178.37 3hoy h GLN 1052N -0.36 -0.13 0.00 0.00 4.15 -0.96 0.03 115.11 117.85 3hoy h GLN 1052Ca 0.10 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3hoy h GLN 1052Cb 0.59 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.31 3hoy h GLN 1052CO -0.61 -0.08 0.00 0.34 -1.93 0.00 0.00 178.83 176.54 3hoy n PHE 1053N -5.44 0.00 -0.32 3.99 7.35 -0.18 -1.63 117.46 121.23 3hoy n PHE 1053Ca 0.05 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 57.04 3hoy n PHE 1053Cb 0.36 -0.41 0.52 0.00 0.35 0.00 0.00 39.48 40.30 3hoy n PHE 1053CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hoy n LEU 1054N -2.11 0.24 0.20 -2.13 4.77 -0.36 0.20 117.00 117.81 3hoy n LEU 1054Ca 0.00 1.28 0.06 0.00 -0.03 0.00 0.00 56.01 57.32 3hoy n LEU 1054Cb 0.00 -0.63 0.40 0.00 -2.33 0.00 0.00 43.42 40.86 3hoy n LEU 1054CO 0.00 -1.42 0.73 0.03 -1.33 0.00 0.00 177.39 175.40 3hoy h ARG 1055N 0.00 0.00 0.00 3.23 3.08 -0.04 -3.07 114.38 117.58 3hoy h ARG 1055Ca 0.72 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.77 3hoy h ARG 1055Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.13 3hoy h ARG 1055CO -0.53 0.34 0.00 0.77 -1.07 0.00 0.00 179.97 179.48 3hoy h SER 1056N 0.00 0.00 -3.95 7.04 0.02 0.31 -3.46 113.55 113.51 3hoy h SER 1056Ca -0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3hoy h SER 1056Cb 0.78 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.42 3hoy h SER 1056CO 0.04 0.00 0.72 -0.69 -1.14 0.00 0.00 176.83 175.76 3hoy s VAL 1057N -3.37 2.20 0.56 2.27 1.01 -1.16 -0.47 120.40 121.44 3hoy s VAL 1057Ca 0.05 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 3hoy s VAL 1057Cb 0.07 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3hoy s VAL 1057CO 0.61 0.04 1.34 -0.69 0.00 0.00 0.00 175.10 176.40 3hoy s VAL 1058N -1.17 2.10 -0.27 2.92 1.01 0.14 -4.53 120.40 120.60 3hoy s VAL 1058Ca 0.56 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 3hoy s VAL 1058Cb -0.44 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3hoy s VAL 1058CO 0.58 -0.00 0.48 -1.00 0.00 0.00 0.00 175.10 175.15 3hoy s HIS 1059N -1.32 3.26 -0.28 5.22 3.76 -1.26 -4.95 115.29 119.71 3hoy s HIS 1059Ca 0.73 0.56 -0.37 0.00 -0.15 0.00 0.00 55.06 55.83 3hoy s HIS 1059Cb -0.40 -2.69 -0.13 0.00 1.11 0.00 0.00 32.58 30.48 3hoy s HIS 1059CO 0.46 -0.28 1.98 -2.30 -0.85 0.00 0.00 174.74 173.76 3hoy n PRO 1060N 5.49 1.30 0.00 8.40 -0.02 -1.26 -1.42 135.00 147.49 3hoy n PRO 1060Ca -0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3hoy n PRO 1060Cb 0.50 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3hoy n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hoy n GLY 1061N 5.37 3.12 2.18 -1.23 0.00 -0.73 -4.92 105.19 108.98 3hoy n GLY 1061Ca 0.33 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3hoy n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hoy n GLU 1062N 0.00 0.00 -1.47 1.61 -0.58 -0.51 -3.61 120.64 116.08 3hoy n GLU 1062Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 3hoy n GLU 1062Cb 0.00 -0.96 -0.06 0.00 -0.57 0.00 0.00 31.44 29.85 3hoy n GLU 1062CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3hoy n MET 1063N 5.19 1.48 0.27 3.49 2.81 -1.26 -2.79 117.12 126.31 3hoy n MET 1063Ca 0.39 -2.05 0.18 0.00 -1.81 0.00 0.00 57.70 54.41 3hoy n MET 1063Cb 0.00 -3.21 0.86 0.00 -0.71 0.00 0.00 33.22 30.15 3hoy n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3hoy h VAL 1064N 5.14 0.00 0.00 2.03 2.07 -1.85 -2.88 116.25 120.76 3hoy h VAL 1064Ca 0.34 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.66 3hoy h VAL 1064Cb 0.77 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hoy h VAL 1064CO 1.68 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.88 3hoy n GLY 1065N -0.59 -3.01 0.30 2.17 0.00 -0.31 -1.13 105.19 102.61 3hoy n GLY 1065Ca -0.01 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3hoy n GLY 1065CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hoy h VAL 1066N 0.00 0.48 -0.53 1.61 2.07 -1.67 -0.17 116.25 118.04 3hoy h VAL 1066Ca 0.00 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3hoy h VAL 1066Cb 0.00 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 29.75 3hoy h VAL 1066CO 0.00 0.07 -0.07 0.25 0.02 0.00 0.00 177.57 177.84 3hoy h LEU 1067N 0.37 -0.37 -0.32 2.57 7.12 -1.42 0.19 115.31 123.46 3hoy h LEU 1067Ca 0.53 0.15 -0.12 0.00 0.13 0.00 0.00 57.88 58.56 3hoy h LEU 1067Cb 0.97 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.38 3hoy h LEU 1067CO -0.53 -0.14 -0.28 0.00 -0.13 0.00 0.00 178.44 177.37 3hoy h ALA 1068N 1.51 0.46 -0.03 1.25 0.00 0.50 0.21 119.26 123.16 3hoy h ALA 1068Ca 0.26 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3hoy h ALA 1068Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3hoy h ALA 1068CO -0.50 0.47 -0.33 0.00 0.00 0.00 0.00 179.25 178.89 3hoy h ALA 1069N 0.73 -0.46 -0.30 0.00 0.00 -0.18 0.03 119.26 119.09 3hoy h ALA 1069Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hoy h ALA 1069Cb 0.85 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3hoy h ALA 1069CO 0.07 -0.84 -0.15 1.96 0.00 0.00 0.00 179.25 180.30 3hoy h GLN 1070N -0.46 0.52 0.00 0.00 4.20 -0.59 0.38 115.11 119.15 3hoy h GLN 1070Ca 0.07 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3hoy h GLN 1070Cb 0.56 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3hoy h GLN 1070CO -0.29 0.66 -0.17 0.77 -0.67 0.00 0.00 178.83 179.13 3hoy h SER 1071N 0.48 0.00 0.00 1.46 0.02 0.24 0.47 113.55 116.21 3hoy h SER 1071Ca 0.08 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.78 3hoy h SER 1071Cb 0.54 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 3hoy h SER 1071CO 0.03 0.17 -1.42 -0.38 -1.14 0.00 0.00 176.83 174.09 3hoy n ILE 1072N -3.48 1.52 -0.16 3.27 5.41 -0.08 -4.41 119.36 121.43 3hoy n ILE 1072Ca -0.01 -0.07 -0.02 0.00 1.00 0.00 0.00 62.75 63.66 3hoy n ILE 1072Cb 0.33 -2.05 0.06 0.00 -0.71 0.00 0.00 39.64 37.27 3hoy n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hoy h GLY 1073N -1.00 0.53 0.23 7.39 0.00 -0.18 -3.15 103.07 106.88 3hoy h GLY 1073Ca -0.38 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.05 3hoy h GLY 1073CO -0.23 -0.14 -0.32 -2.09 0.00 0.00 0.00 176.54 173.77 3hoy h GLU 1074N 0.13 -0.41 0.00 4.80 4.22 -1.12 -1.49 114.58 120.71 3hoy h GLU 1074Ca 0.26 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.72 3hoy h GLU 1074Cb 0.39 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hoy h GLU 1074CO -0.42 -0.27 0.00 -0.35 -2.18 0.00 0.00 179.01 175.79 3hoy n PRO 1075N -5.41 0.26 0.08 0.92 -0.04 -1.19 -0.91 135.00 128.70 3hoy n PRO 1075Ca -0.04 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 3hoy n PRO 1075Cb 0.32 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.54 3hoy n PRO 1075CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hoy n ALA 1076N -1.15 2.69 0.09 0.55 0.00 -0.56 -3.15 120.51 118.97 3hoy n ALA 1076Ca 0.07 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.38 3hoy n ALA 1076Cb 0.07 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 3hoy n ALA 1076CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hoy h THR 1077N 0.00 0.47 -0.34 0.00 2.02 -1.03 -3.27 112.91 110.77 3hoy h THR 1077Ca 0.00 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3hoy h THR 1077Cb 0.74 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3hoy h THR 1077CO 0.00 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.16 3hoy n GLN 1078N -2.96 2.32 -2.83 6.66 1.13 -1.19 -4.77 117.38 115.75 3hoy n GLN 1078Ca -0.04 -1.45 -0.43 0.00 -1.94 0.00 0.00 57.00 53.14 3hoy n GLN 1078Cb 0.74 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.54 3hoy n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3hoy s MET 1079N -1.66 3.90 -1.15 -1.09 -1.94 -1.23 -4.92 119.30 111.21 3hoy s MET 1079Ca 0.26 -2.11 -0.24 0.00 -1.71 0.00 0.00 55.69 51.89 3hoy s MET 1079Cb 0.16 -5.15 -0.12 0.00 2.01 0.00 0.00 34.83 31.73 3hoy s MET 1079CO 0.13 -1.91 1.98 0.99 -0.01 0.00 0.00 175.02 176.20 3hoy s THR 1080N 2.73 3.42 0.35 2.05 2.01 -1.26 -4.92 115.64 120.01 3hoy s THR 1080Ca 0.43 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 3hoy s THR 1080Cb -0.02 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 3hoy s THR 1080CO -0.02 -0.76 0.61 -0.76 -0.69 0.00 0.00 174.62 173.00 3hoy s LEU 1081N 12.48 3.95 -0.01 4.42 1.43 -1.26 -5.18 118.68 134.50 3hoy s LEU 1081Ca 0.72 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 3hoy s LEU 1081Cb -0.02 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3hoy s LEU 1081CO 0.14 -0.31 0.13 -0.24 0.23 0.00 0.00 176.35 176.30 3hoy n SER 1091N -1.45 0.03 -0.01 2.29 2.88 -1.26 -5.06 113.62 111.03 3hoy n SER 1091Ca -0.02 0.13 -0.04 0.00 -1.33 0.00 0.00 58.87 57.61 3hoy n SER 1091Cb 0.55 -0.10 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 3hoy n SER 1091CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3hoy n LYS 1092N 0.22 0.23 -1.46 -1.46 5.02 -1.26 -4.98 118.16 114.47 3hoy n LYS 1092Ca 0.02 0.09 -0.45 0.00 -2.02 0.00 0.00 58.31 55.95 3hoy n LYS 1092Cb 0.01 -0.91 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 3hoy n LYS 1092CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hoy n LYS 1093N -3.91 0.46 -3.65 1.97 4.01 -1.26 -4.89 118.16 110.89 3hoy n LYS 1093Ca -0.07 0.07 -0.13 0.00 -0.51 0.00 0.00 58.31 57.66 3hoy n LYS 1093Cb 0.24 -2.12 -0.08 0.00 -0.51 0.00 0.00 35.03 32.56 3hoy n LYS 1093CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3hoy s VAL 1094N 8.81 -0.00 0.50 -0.18 1.01 -1.26 -5.02 120.40 124.25 3hoy s VAL 1094Ca 1.20 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 3hoy s VAL 1094Cb -0.98 -0.91 -0.12 0.00 0.00 0.00 0.00 36.38 34.37 3hoy s VAL 1094CO 0.47 0.00 0.30 0.41 0.00 0.00 0.00 175.10 176.28 3hoy n THR 1095N 2.82 1.32 -3.55 3.92 -1.04 -1.26 -4.95 114.28 111.53 3hoy n THR 1095Ca -0.14 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.29 3hoy n THR 1095Cb 0.56 -0.38 -0.02 0.00 -1.82 0.00 0.00 70.33 68.67 3hoy n THR 1095CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3hoy s SER 1096N -1.05 -0.36 0.67 8.00 0.15 -1.26 -4.88 113.70 114.97 3hoy s SER 1096Ca 0.63 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.17 3hoy s SER 1096Cb -0.52 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 3hoy s SER 1096CO 0.59 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3hoy n GLY 1097N -0.32 -0.10 0.32 9.45 0.00 -1.26 -3.51 105.19 109.78 3hoy n GLY 1097Ca -0.09 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 3hoy n GLY 1097CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hoy n VAL 1098N -0.22 -0.51 -0.19 1.61 0.31 -1.26 0.12 118.33 118.18 3hoy n VAL 1098Ca 0.00 1.88 0.20 0.00 -0.01 0.00 0.00 64.34 66.41 3hoy n VAL 1098Cb 0.00 -2.35 0.56 0.00 -0.91 0.00 0.00 33.84 31.13 3hoy n VAL 1098CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3hoy h PRO 1099N 0.00 0.30 -0.04 5.55 0.13 -2.00 0.14 132.00 136.08 3hoy h PRO 1099Ca 0.15 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 3hoy h PRO 1099Cb 0.35 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.41 3hoy h PRO 1099CO -0.74 0.20 -0.22 -0.09 -0.23 0.00 0.00 178.00 176.91 3hoy h ARG 1100N 0.31 0.22 -0.84 0.86 9.65 0.82 -2.51 114.38 122.88 3hoy h ARG 1100Ca 0.42 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 59.12 3hoy h ARG 1100Cb 1.15 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 3hoy h ARG 1100CO -0.12 0.85 0.56 1.25 2.80 0.00 0.00 179.97 185.30 3hoy h LEU 1101N -0.35 0.96 -1.61 3.80 5.85 -0.41 0.14 115.31 123.70 3hoy h LEU 1101Ca -0.02 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3hoy h LEU 1101Cb 0.89 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3hoy h LEU 1101CO 0.05 0.69 0.34 0.50 -0.34 0.00 0.00 178.44 179.68 3hoy h LYS 1102N 1.13 0.48 0.62 1.25 3.64 -1.02 0.14 116.57 122.81 3hoy h LYS 1102Ca 0.31 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3hoy h LYS 1102Cb -0.11 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3hoy h LYS 1102CO -0.07 0.32 -0.30 1.49 -2.27 0.00 0.00 179.45 178.62 3hoy h GLU 1103N 0.49 -0.80 0.33 1.90 4.81 -0.36 -2.79 114.58 118.16 3hoy h GLU 1103Ca 0.22 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3hoy h GLU 1103Cb 0.24 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3hoy h GLU 1103CO -0.06 -0.48 -0.49 0.82 -0.73 0.00 0.00 179.01 178.07 3hoy h ILE 1104N -1.07 0.05 -0.26 2.32 2.04 0.44 -1.53 117.51 119.51 3hoy h ILE 1104Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.85 3hoy h ILE 1104Cb 0.68 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3hoy h ILE 1104CO 0.14 0.00 0.22 -0.07 0.00 0.00 0.00 178.15 178.44 3hoy h LEU 1105N -0.87 0.00 0.00 1.44 3.38 -0.90 0.21 115.31 118.57 3hoy h LEU 1105Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hoy h LEU 1105Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hoy h LEU 1105CO -0.16 0.00 -0.30 0.59 0.09 0.00 0.00 178.44 178.66 3hoy n ASN 1106N -4.10 0.40 -3.94 -0.43 3.02 -0.78 -1.99 115.26 107.44 3hoy n ASN 1106Ca 0.03 0.16 -0.27 0.00 -0.03 0.00 0.00 54.58 54.47 3hoy n ASN 1106Cb 0.37 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 3hoy n ASN 1106CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hoy n VAL 1107N -1.68 -2.92 -2.20 2.41 0.31 0.73 -4.88 118.33 110.09 3hoy n VAL 1107Ca 0.06 -0.37 -0.34 0.00 -0.01 0.00 0.00 64.34 63.67 3hoy n VAL 1107Cb 0.36 -2.76 0.01 0.00 -0.91 0.00 0.00 33.84 30.54 3hoy n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hoy s ALA 1108N -3.73 2.68 0.00 3.52 0.00 -1.13 -5.02 121.76 118.08 3hoy s ALA 1108Ca 0.19 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3hoy s ALA 1108Cb -0.10 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3hoy s ALA 1108CO 0.87 -0.80 0.00 1.17 0.00 0.00 0.00 175.76 177.00 3hoy n LYS 1109N -1.48 0.00 -1.60 0.00 3.00 -1.26 -4.76 118.16 112.06 3hoy n LYS 1109Ca 0.11 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 57.96 3hoy n LYS 1109Cb 0.51 -0.08 -0.04 0.00 0.00 0.00 0.00 35.03 35.43 3hoy n LYS 1109CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3hoy n ASN 1110N 0.00 3.21 -4.65 3.14 6.94 -1.26 -4.96 115.26 117.68 3hoy n ASN 1110Ca 0.00 0.56 -0.34 0.00 -0.02 0.00 0.00 54.58 54.78 3hoy n ASN 1110Cb 0.00 -1.44 -0.10 0.00 -2.36 0.00 0.00 39.78 35.88 3hoy n ASN 1110CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3hoy s MET 1111N 5.44 2.83 0.20 -3.83 1.00 -1.26 -5.02 119.30 118.66 3hoy s MET 1111Ca 0.99 -0.53 -0.19 0.00 0.00 0.00 0.00 55.69 55.96 3hoy s MET 1111Cb -0.56 -2.68 0.18 0.00 0.00 0.00 0.00 34.83 31.76 3hoy s MET 1111CO 0.44 0.66 1.58 0.87 0.00 0.00 0.00 175.02 178.57 3hoy h LYS 1112N 4.86 -0.10 -4.44 2.03 1.57 -2.00 -3.31 116.57 115.18 3hoy h LYS 1112Ca -0.50 0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 57.58 3hoy h LYS 1112Cb 1.18 0.02 -0.29 0.00 0.08 0.00 0.00 32.23 33.22 3hoy h LYS 1112CO 0.55 -0.07 -0.47 0.99 -0.57 0.00 0.00 179.45 179.88 3hoy s THR 1113N -6.01 4.09 -0.59 -0.16 2.01 -1.26 -4.96 115.64 108.75 3hoy s THR 1113Ca -0.14 -1.54 0.02 0.00 0.31 0.00 0.00 61.69 60.34 3hoy s THR 1113Cb 0.18 -3.56 0.41 0.00 0.01 0.00 0.00 72.50 69.54 3hoy s THR 1113CO 0.70 -0.56 1.60 -0.81 -0.69 0.00 0.00 174.62 174.86 3hoy n PRO 1114N 4.87 3.10 -0.22 4.92 -0.04 -1.25 -4.80 135.00 141.59 3hoy n PRO 1114Ca -0.09 -3.90 -0.20 0.00 -0.04 0.00 0.00 63.50 59.27 3hoy n PRO 1114Cb 0.42 -2.27 0.19 0.00 -0.04 0.00 0.00 33.50 31.81 3hoy n PRO 1114CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hoy n SER 1115N -0.62 -3.38 -3.64 3.54 2.88 -1.26 -3.47 113.62 107.67 3hoy n SER 1115Ca 0.49 -0.57 -0.04 0.00 -1.33 0.00 0.00 58.87 57.42 3hoy n SER 1115Cb 0.57 -0.70 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 3hoy n SER 1115CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 3hoy s LEU 1116N 0.00 -0.51 -0.22 2.46 0.05 -1.26 -3.55 118.68 115.65 3hoy s LEU 1116Ca 0.44 0.84 -0.11 0.00 0.05 0.00 0.00 54.13 55.35 3hoy s LEU 1116Cb -0.08 1.78 -0.05 0.00 -2.05 0.00 0.00 46.19 45.80 3hoy s LEU 1116CO 0.37 -0.14 0.17 -0.89 -0.55 0.00 0.00 176.35 175.32 3hoy s THR 1117N 1.16 5.36 -0.19 5.48 2.01 0.19 -0.71 115.64 128.95 3hoy s THR 1117Ca -0.07 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 3hoy s THR 1117Cb -0.04 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 3hoy s THR 1117CO -0.14 0.38 -0.06 0.68 -0.69 0.00 0.00 174.62 174.78 3hoy s VAL 1118N 0.79 3.37 -0.15 3.82 -7.23 -0.09 -1.80 120.40 119.11 3hoy s VAL 1118Ca 0.09 -0.52 -0.08 0.00 -1.81 0.00 0.00 61.98 59.67 3hoy s VAL 1118Cb -0.13 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 3hoy s VAL 1118CO 0.02 0.46 0.12 -0.31 -0.31 0.00 0.00 175.10 175.09 3hoy s TYR 1119N 1.03 3.48 1.14 2.82 1.51 -1.26 -1.24 117.35 124.83 3hoy s TYR 1119Ca 0.00 0.41 -0.14 0.00 -1.01 0.00 0.00 57.07 56.33 3hoy s TYR 1119Cb -0.15 -2.02 0.26 0.00 -0.11 0.00 0.00 41.96 39.95 3hoy s TYR 1119CO -0.00 0.53 1.05 -0.51 -1.11 0.00 0.00 175.55 175.50 3hoy s LEU 1120N -0.44 0.86 0.51 -1.29 1.02 -1.26 -0.21 118.68 117.87 3hoy s LEU 1120Ca 0.12 1.22 -0.23 0.00 0.02 0.00 0.00 54.13 55.26 3hoy s LEU 1120Cb -0.12 -3.15 -0.06 0.00 0.02 0.00 0.00 46.19 42.88 3hoy s LEU 1120CO 0.02 -3.94 1.33 1.21 0.02 0.00 0.00 176.35 174.98 3hoy n GLU 1121N -4.72 1.78 -0.20 1.70 2.13 0.11 -3.60 120.64 117.84 3hoy n GLU 1121Ca 0.05 0.65 -0.02 0.00 0.66 0.00 0.00 57.16 58.50 3hoy n GLU 1121Cb 0.57 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.75 3hoy n GLU 1121CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3hoy n PRO 1122N -0.70 -0.15 0.00 5.31 -0.02 -1.26 -3.00 135.00 135.18 3hoy n PRO 1122Ca 0.09 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3hoy n PRO 1122Cb 0.43 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 3hoy n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hoy n GLY 1123N -1.21 -2.33 3.37 -1.23 0.00 -1.26 -4.54 105.19 98.00 3hoy n GLY 1123Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 3hoy n GLY 1123CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hoy n HIS 1124N -0.12 0.02 0.00 1.61 8.25 -1.16 -4.72 115.22 119.09 3hoy n HIS 1124Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hoy n HIS 1124Cb 0.00 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.58 3hoy n HIS 1124CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hoy n ALA 1125N 5.43 0.00 1.42 -1.41 0.00 -1.26 -4.42 120.51 120.27 3hoy n ALA 1125Ca 0.50 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.01 3hoy n ALA 1125Cb 0.24 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.11 3hoy n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hoy n ALA 1126N -1.57 2.29 -0.07 0.00 0.00 -1.26 -2.29 120.51 117.61 3hoy n ALA 1126Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 3hoy n ALA 1126Cb 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 3hoy n ALA 1126CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hoy n ASP 1127N -0.81 0.09 -0.09 0.00 -0.08 -1.26 -4.74 116.55 109.66 3hoy n ASP 1127Ca 0.11 -1.99 -0.02 0.00 -1.51 0.00 0.00 54.79 51.37 3hoy n ASP 1127Cb 0.05 -0.48 -0.02 0.00 2.34 0.00 0.00 41.12 43.01 3hoy n ASP 1127CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 3hoy n GLN 1128N 5.20 -0.09 -0.13 -0.67 -0.06 -1.26 -0.35 117.38 120.02 3hoy n GLN 1128Ca 0.05 0.47 -0.04 0.00 -2.00 0.00 0.00 57.00 55.47 3hoy n GLN 1128Cb 0.04 -0.70 0.02 0.00 -4.06 0.00 0.00 30.24 25.54 3hoy n GLN 1128CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3hoy h GLU 1129N 0.00 -0.04 -1.08 3.69 4.22 -1.98 -0.41 114.58 118.98 3hoy h GLU 1129Ca 0.03 0.00 0.31 0.00 0.08 0.00 0.00 59.36 59.79 3hoy h GLU 1129Cb 0.08 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3hoy h GLU 1129CO -0.19 -0.02 0.80 0.37 -2.18 0.00 0.00 179.01 177.78 3hoy h GLN 1130N -0.04 0.00 0.75 1.92 5.75 -1.09 0.66 115.11 123.06 3hoy h GLN 1130Ca 0.21 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 3hoy h GLN 1130Cb 0.36 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.92 3hoy h GLN 1130CO -0.47 0.00 -0.36 0.00 -2.65 0.00 0.00 178.83 175.35 3hoy h ALA 1131N 1.42 -1.00 -0.43 3.38 0.00 -0.97 -2.93 119.26 118.72 3hoy h ALA 1131Ca 0.51 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3hoy h ALA 1131Cb 2.11 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 20.19 3hoy h ALA 1131CO -0.01 -1.00 -0.43 0.87 0.00 0.00 0.00 179.25 178.69 3hoy h LYS 1132N -1.13 -0.30 -0.96 0.00 1.57 -0.89 0.20 116.57 115.05 3hoy h LYS 1132Ca -0.10 0.02 0.30 0.00 -1.87 0.00 0.00 60.65 59.00 3hoy h LYS 1132Cb 0.79 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 33.00 3hoy h LYS 1132CO 0.17 -0.20 0.27 -0.07 -0.57 0.00 0.00 179.45 179.05 3hoy h LEU 1133N -0.31 -0.04 0.05 2.94 3.38 -1.34 0.12 115.31 120.12 3hoy h LEU 1133Ca 0.14 0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.25 3hoy h LEU 1133Cb 0.58 0.34 0.01 0.00 0.09 0.00 0.00 40.66 41.68 3hoy h LEU 1133CO -0.59 -0.30 -0.46 0.40 0.09 0.00 0.00 178.44 177.58 3hoy h ILE 1134N 0.09 1.57 -0.69 1.22 2.04 -0.83 -2.58 117.51 118.34 3hoy h ILE 1134Ca 0.66 -2.28 0.14 0.00 1.00 0.00 0.00 64.86 64.38 3hoy h ILE 1134Cb 1.51 3.05 -0.13 0.00 -0.74 0.00 0.00 36.82 40.50 3hoy h ILE 1134CO -0.78 0.63 -0.18 -0.09 0.00 0.00 0.00 178.15 177.73 3hoy h ARG 1135N -0.51 -0.01 0.00 2.37 1.12 0.17 0.61 114.38 118.13 3hoy h ARG 1135Ca -0.07 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.77 3hoy h ARG 1135Cb 1.29 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.25 3hoy h ARG 1135CO 0.09 -0.01 -0.12 0.66 -3.11 0.00 0.00 179.97 177.48 3hoy h SER 1136N -0.01 0.00 0.82 -3.80 4.64 -0.97 0.19 113.55 114.42 3hoy h SER 1136Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3hoy h SER 1136Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hoy h SER 1136CO -0.71 0.12 -0.27 0.00 -0.87 0.00 0.00 176.83 175.10 3hoy n ALA 1137N -2.17 2.89 -0.07 5.18 0.00 0.18 -4.04 120.51 122.47 3hoy n ALA 1137Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 3hoy n ALA 1137Cb 0.38 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 3hoy n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hoy n ILE 1138N -1.62 0.83 -1.69 0.00 5.41 0.56 -3.80 119.36 119.05 3hoy n ILE 1138Ca 0.06 -0.27 -0.42 0.00 1.00 0.00 0.00 62.75 63.12 3hoy n ILE 1138Cb 0.36 -1.36 -0.03 0.00 -0.71 0.00 0.00 39.64 37.90 3hoy n ILE 1138CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3hoy s GLU 1139N -2.28 4.13 -0.09 0.38 2.12 0.60 0.11 118.70 123.66 3hoy s GLU 1139Ca -0.20 2.58 -0.30 0.00 0.36 0.00 0.00 54.97 57.41 3hoy s GLU 1139Cb 0.07 -4.15 -0.05 0.00 0.26 0.00 0.00 34.13 30.26 3hoy s GLU 1139CO 0.30 -0.97 1.58 -1.58 -0.54 0.00 0.00 175.26 174.06 3hoy s HIS 1140N 4.49 2.14 -0.05 5.30 5.65 -0.89 -2.33 115.29 129.61 3hoy s HIS 1140Ca 0.88 0.37 0.05 0.00 0.25 0.00 0.00 55.06 56.60 3hoy s HIS 1140Cb -0.42 -3.85 -0.00 0.00 -1.18 0.00 0.00 32.58 27.13 3hoy s HIS 1140CO 0.41 -3.39 -0.19 0.99 -0.65 0.00 0.00 174.74 171.91 3hoy s THR 1141N 4.06 1.60 0.16 0.89 2.01 -0.52 -4.90 115.64 118.95 3hoy s THR 1141Ca 0.70 -0.81 0.09 0.00 0.31 0.00 0.00 61.69 61.98 3hoy s THR 1141Cb -0.30 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3hoy s THR 1141CO 0.27 0.46 -0.13 0.42 -0.69 0.00 0.00 174.62 174.94 3hoy s THR 1142N 0.05 3.04 0.27 -0.82 -4.23 -1.26 0.68 115.64 113.36 3hoy s THR 1142Ca -0.05 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.79 3hoy s THR 1142Cb -0.13 -2.47 0.28 0.00 1.34 0.00 0.00 72.50 71.52 3hoy s THR 1142CO 0.03 -0.06 1.66 0.25 -0.54 0.00 0.00 174.62 175.97 3hoy h LEU 1143N 3.15 -0.02 -0.91 4.79 5.85 -1.74 0.30 115.31 126.72 3hoy h LEU 1143Ca -0.47 0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.56 3hoy h LEU 1143Cb 1.20 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 42.38 3hoy h LEU 1143CO 0.52 -0.10 0.52 0.50 -0.34 0.00 0.00 178.44 179.54 3hoy h LYS 1144N 0.23 0.75 0.00 1.25 3.64 -1.78 -0.87 116.57 119.79 3hoy h LYS 1144Ca 0.48 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3hoy h LYS 1144Cb 0.90 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3hoy h LYS 1144CO -0.60 0.50 -0.00 0.66 -2.27 0.00 0.00 179.45 177.74 3hoy h SER 1145N 0.78 0.00 -0.01 4.20 4.64 -0.73 -2.52 113.55 119.91 3hoy h SER 1145Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3hoy h SER 1145Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3hoy h SER 1145CO -0.32 0.00 -0.16 1.33 -0.87 0.00 0.00 176.83 176.81 3hoy n VAL 1146N -3.10 0.00 -2.88 0.95 0.24 -0.41 -4.96 118.33 108.17 3hoy n VAL 1146Ca -0.02 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 3hoy n VAL 1146Cb 0.13 1.15 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 3hoy n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hoy s THR 1147N -1.26 4.46 0.28 3.34 2.01 -0.72 -0.81 115.64 122.95 3hoy s THR 1147Ca 0.09 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3hoy s THR 1147Cb 0.08 -4.50 0.06 0.00 0.01 0.00 0.00 72.50 68.16 3hoy s THR 1147CO 0.23 -1.06 1.72 0.40 -0.69 0.00 0.00 174.62 175.21 3hoy h ILE 1148N 6.00 1.27 -1.38 1.82 2.04 -1.42 -3.47 117.51 122.36 3hoy h ILE 1148Ca -0.26 -1.28 0.27 0.00 1.00 0.00 0.00 64.86 64.59 3hoy h ILE 1148Cb 1.08 1.35 -0.19 0.00 -0.74 0.00 0.00 36.82 38.32 3hoy h ILE 1148CO 1.07 0.40 0.85 0.00 0.00 0.00 0.00 178.15 180.47 3hoy s ALA 1149N -4.49 -2.10 0.10 1.87 0.00 -1.22 -5.03 121.76 110.89 3hoy s ALA 1149Ca -0.07 1.66 0.05 0.00 0.00 0.00 0.00 51.96 53.60 3hoy s ALA 1149Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3hoy s ALA 1149CO 0.79 -0.59 -0.12 -1.54 0.00 0.00 0.00 175.76 174.30 3hoy s SER 1150N -2.16 1.67 0.01 0.00 1.04 -1.26 -2.01 113.70 111.00 3hoy s SER 1150Ca 0.10 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 3hoy s SER 1150Cb -0.01 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.09 3hoy s SER 1150CO -0.04 -0.19 0.22 -1.61 0.98 0.00 0.00 173.24 172.60 3hoy s GLU 1151N -2.57 0.63 -0.25 4.02 2.02 -0.13 -4.99 118.70 117.43 3hoy s GLU 1151Ca 0.05 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.66 3hoy s GLU 1151Cb -0.05 0.27 0.06 0.00 0.10 0.00 0.00 34.13 34.51 3hoy s GLU 1151CO 0.01 -0.17 -0.10 0.42 0.02 0.00 0.00 175.26 175.45 3hoy s ILE 1152N -1.78 2.00 0.46 -1.63 1.01 -1.25 -0.20 121.20 119.80 3hoy s ILE 1152Ca -0.11 -1.53 0.07 0.00 0.00 0.00 0.00 60.65 59.08 3hoy s ILE 1152Cb -0.04 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 3hoy s ILE 1152CO 0.01 -0.05 0.39 -0.31 0.00 0.00 0.00 174.94 174.98 3hoy s TYR 1153N 1.18 2.34 -0.36 3.97 1.51 -0.16 -4.94 117.35 120.88 3hoy s TYR 1153Ca -0.08 -0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 55.34 3hoy s TYR 1153Cb -0.20 -2.09 0.08 0.00 -0.11 0.00 0.00 41.96 39.64 3hoy s TYR 1153CO -0.05 -0.24 0.12 -0.47 -1.11 0.00 0.00 175.55 173.80 3hoy s TYR 1154N -2.58 3.41 -0.36 2.71 5.04 -1.26 -1.37 117.35 122.94 3hoy s TYR 1154Ca 0.45 -2.01 0.01 0.00 -2.44 0.00 0.00 57.07 53.08 3hoy s TYR 1154Cb -0.02 -2.67 0.15 0.00 0.35 0.00 0.00 41.96 39.76 3hoy s TYR 1154CO 0.26 -0.87 0.25 0.34 -1.34 0.00 0.00 175.55 174.20 3hoy s ASP 1155N 1.58 2.50 0.01 4.32 3.68 -0.38 -4.91 116.67 123.47 3hoy s ASP 1155Ca 0.02 -2.19 0.22 0.00 2.13 0.00 0.00 52.55 52.73 3hoy s ASP 1155Cb -0.21 -0.24 0.93 0.00 -1.45 0.00 0.00 42.92 41.95 3hoy s ASP 1155CO -0.02 -0.29 1.70 -0.81 0.13 0.00 0.00 175.17 175.89 3hoy n PRO 1156N 3.94 0.01 -3.32 4.34 -0.04 -1.13 -4.46 135.00 134.33 3hoy n PRO 1156Ca 0.14 0.14 -0.46 0.00 -0.04 0.00 0.00 63.50 63.27 3hoy n PRO 1156Cb 0.39 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 3hoy n PRO 1156CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hoy s ASP 1157N -3.07 6.38 0.00 3.54 2.15 -1.26 -4.76 116.67 119.65 3hoy s ASP 1157Ca 0.10 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 50.98 3hoy s ASP 1157Cb 0.14 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 3hoy s ASP 1157CO 0.40 -0.76 0.49 -0.81 -0.17 0.00 0.00 175.17 174.32 3hoy n PRO 1158N 4.80 0.27 -0.23 4.34 -0.04 -1.26 -1.74 135.00 141.13 3hoy n PRO 1158Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3hoy n PRO 1158Cb 0.42 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3hoy n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hoy n ARG 1159N 1.72 0.00 0.00 0.54 5.12 -1.26 -5.10 116.66 117.68 3hoy n ARG 1159Ca 0.00 -0.37 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 3hoy n ARG 1159Cb 0.13 -0.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.18 3hoy n ARG 1159CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3hoy n SER 1160N 0.00 0.00 -4.59 0.55 3.41 -0.71 -4.96 113.62 107.32 3hoy n SER 1160Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3hoy n SER 1160Cb 0.55 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 3hoy n SER 1160CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hoy s THR 1161N -1.14 3.68 -1.64 6.66 2.01 -1.26 -4.49 115.64 119.45 3hoy s THR 1161Ca 0.00 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.38 3hoy s THR 1161Cb 0.00 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.96 3hoy s THR 1161CO 0.00 0.50 0.67 0.52 -0.69 0.00 0.00 174.62 175.63 3hoy n VAL 1162N 1.91 0.70 -3.84 3.82 0.31 -1.26 -4.30 118.33 115.67 3hoy n VAL 1162Ca -0.17 0.18 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 3hoy n VAL 1162Cb 0.53 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.19 3hoy n VAL 1162CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hoy s ILE 1163N -2.35 5.04 -0.01 2.52 1.01 -1.26 -5.01 121.20 121.14 3hoy s ILE 1163Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 3hoy s ILE 1163Cb 0.00 -3.31 -0.22 0.00 0.01 0.00 0.00 42.46 38.94 3hoy s ILE 1163CO 0.00 0.42 1.10 1.55 0.00 0.00 0.00 174.94 178.01 3hoy h PRO 1164N 7.01 0.31 -0.24 2.79 0.13 -2.02 -3.30 132.00 136.68 3hoy h PRO 1164Ca -0.38 -0.31 0.06 0.00 -0.87 0.00 0.00 66.00 64.50 3hoy h PRO 1164Cb 1.16 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 3hoy h PRO 1164CO 0.70 0.99 -0.34 0.93 -0.23 0.00 0.00 178.00 180.05 3hoy h GLU 1165N -0.25 -0.34 0.00 0.86 5.08 -1.94 0.22 114.58 118.21 3hoy h GLU 1165Ca -0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hoy h GLU 1165Cb 1.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hoy h GLU 1165CO 0.08 -0.23 0.00 -0.25 -1.00 0.00 0.00 179.01 177.61 3hoy n ASP 1166N -5.41 0.00 0.00 1.42 9.92 -1.25 -4.03 116.55 117.19 3hoy n ASP 1166Ca -0.02 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 3hoy n ASP 1166Cb 0.33 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 3hoy n ASP 1166CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hoy n GLU 1167N -0.93 0.00 0.05 -1.24 -0.58 0.78 -2.08 120.64 116.64 3hoy n GLU 1167Ca 0.03 0.60 0.02 0.00 -0.42 0.00 0.00 57.16 57.39 3hoy n GLU 1167Cb 0.01 -1.41 0.12 0.00 -0.57 0.00 0.00 31.44 29.59 3hoy n GLU 1167CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3hoy n GLU 1168N -2.08 0.03 0.06 3.49 2.13 -1.26 -2.19 120.64 120.82 3hoy n GLU 1168Ca 0.00 0.41 -0.21 0.00 0.66 0.00 0.00 57.16 58.02 3hoy n GLU 1168Cb 0.00 -1.78 -0.11 0.00 0.27 0.00 0.00 31.44 29.82 3hoy n GLU 1168CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3hoy h ILE 1169N 0.00 1.28 -0.02 6.31 2.04 -1.67 -3.25 117.51 122.20 3hoy h ILE 1169Ca 0.00 -2.32 -0.04 0.00 1.00 0.00 0.00 64.86 63.50 3hoy h ILE 1169Cb 0.36 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3hoy h ILE 1169CO 0.00 0.71 -0.15 0.40 0.00 0.00 0.00 178.15 179.11 3hoy h ILE 1170N 0.34 1.51 -0.34 -0.67 5.03 -1.45 -3.20 117.51 118.72 3hoy h ILE 1170Ca -0.15 -1.73 0.04 0.00 -0.12 0.00 0.00 64.86 62.90 3hoy h ILE 1170Cb 1.77 2.59 -0.06 0.00 -3.03 0.00 0.00 36.82 38.09 3hoy h ILE 1170CO 0.22 0.47 -0.41 0.06 -0.68 0.00 0.00 178.15 177.80 3hoy h GLN 1171N -0.49 -0.26 -0.63 2.37 3.07 -1.72 -2.08 115.11 115.37 3hoy h GLN 1171Ca -0.01 0.02 0.13 0.00 0.09 0.00 0.00 58.65 58.88 3hoy h GLN 1171Cb 0.85 0.06 -0.11 0.00 0.08 0.00 0.00 27.48 28.36 3hoy h GLN 1171CO 0.03 -0.17 -0.02 -0.07 0.09 0.00 0.00 178.83 178.69 3hoy h LEU 1172N -0.27 -0.32 -3.84 0.06 3.38 -1.68 -1.15 115.31 111.50 3hoy h LEU 1172Ca 0.06 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3hoy h LEU 1172Cb 0.43 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3hoy h LEU 1172CO -0.46 -0.13 -0.20 1.57 0.09 0.00 0.00 178.44 179.31 3hoy n HIS 1173N -5.31 0.00 -3.60 1.13 -0.00 -0.78 -4.49 115.22 102.17 3hoy n HIS 1173Ca 0.09 -1.19 -0.29 0.00 0.46 0.00 0.00 57.72 56.79 3hoy n HIS 1173Cb 0.36 -1.17 -0.13 0.00 -0.12 0.00 0.00 29.99 28.93 3hoy n HIS 1173CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 3hoy s PHE 1174N 0.96 1.25 -0.38 1.57 0.40 -0.44 -4.98 117.98 116.37 3hoy s PHE 1174Ca 0.42 -1.82 0.10 0.00 -0.60 0.00 0.00 56.93 55.03 3hoy s PHE 1174Cb 0.20 -1.37 0.40 0.00 0.51 0.00 0.00 43.02 42.76 3hoy s PHE 1174CO 0.00 -0.82 1.41 0.43 0.70 0.00 0.00 175.22 176.94 3hoy n SER 1175N 4.16 -1.74 -0.65 1.36 7.64 -1.26 -5.07 113.62 118.06 3hoy n SER 1175Ca 0.06 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.55 3hoy n SER 1175Cb 0.38 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 3hoy n SER 1175CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3hoy n LEU 1176N -0.88 0.00 0.00 -3.43 -0.00 -1.26 -5.29 117.00 106.15 3hoy n LEU 1176Ca -0.07 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.32 3hoy n LEU 1176Cb 0.86 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 3hoy n LEU 1176CO -0.10 -0.34 0.00 0.00 -0.00 0.00 0.00 177.39 176.95 3hoy n GLN 1187N 1.19 0.00 -3.05 1.96 10.64 -1.26 -5.30 117.38 121.56 3hoy n GLN 1187Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 3hoy n GLN 1187Cb 0.00 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.45 3hoy n GLN 1187CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3hoy s GLN 1188N 0.00 2.23 0.05 2.61 -0.21 -1.26 -2.44 119.66 120.63 3hoy s GLN 1188Ca 0.00 -1.70 -0.09 0.00 0.02 0.00 0.00 55.36 53.58 3hoy s GLN 1188Cb 0.00 -2.63 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 3hoy s GLN 1188CO 0.00 -0.94 0.36 0.45 -2.12 0.00 0.00 175.29 173.04 3hoy s SER 1189N -4.71 6.62 0.00 5.90 0.15 -1.24 -4.91 113.70 115.51 3hoy s SER 1189Ca 0.63 0.74 0.22 0.00 0.70 0.00 0.00 55.95 58.24 3hoy s SER 1189Cb -0.05 -2.16 0.95 0.00 -1.71 0.00 0.00 66.02 63.05 3hoy s SER 1189CO 0.40 0.22 1.70 -0.81 1.20 0.00 0.00 173.24 175.94 3hoy n PRO 1190N 1.09 0.02 -3.13 5.44 -0.04 -1.26 -4.69 135.00 132.42 3hoy n PRO 1190Ca -0.10 0.12 -0.40 0.00 -0.04 0.00 0.00 63.50 63.08 3hoy n PRO 1190Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 3hoy n PRO 1190CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3hoy s TRP 1191N -2.97 3.36 -0.12 0.54 0.52 -1.26 -1.25 118.94 117.76 3hoy s TRP 1191Ca 0.11 0.89 -0.04 0.00 0.02 0.00 0.00 56.10 57.08 3hoy s TRP 1191Cb 0.14 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 3hoy s TRP 1191CO 0.39 -0.19 0.04 -1.17 0.02 0.00 0.00 176.95 176.04 3hoy s LEU 1192N 1.96 3.74 -0.22 2.99 2.96 -0.47 -4.35 118.68 125.29 3hoy s LEU 1192Ca 0.28 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 3hoy s LEU 1192Cb -0.16 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.67 3hoy s LEU 1192CO 0.10 0.32 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.10 3hoy s LEU 1193N -0.50 2.75 -0.12 -0.68 2.96 -0.76 -0.99 118.68 121.34 3hoy s LEU 1193Ca 0.10 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 53.17 3hoy s LEU 1193Cb -0.12 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 45.02 3hoy s LEU 1193CO 0.02 -0.08 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.24 3hoy s ARG 1194N 1.28 2.07 -0.11 1.98 3.52 0.71 -1.26 118.95 127.15 3hoy s ARG 1194Ca 0.01 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 3hoy s ARG 1194Cb -0.15 -1.87 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 3hoy s ARG 1194CO -0.08 -0.16 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.66 3hoy s LEU 1195N 1.29 3.08 -0.34 -0.88 1.43 -0.64 -0.95 118.68 121.67 3hoy s LEU 1195Ca -0.01 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3hoy s LEU 1195Cb -0.14 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.41 3hoy s LEU 1195CO -0.06 0.25 0.13 -0.70 0.23 0.00 0.00 176.35 176.20 3hoy s GLU 1196N -0.12 2.82 0.69 1.70 2.12 -0.85 -1.04 118.70 124.02 3hoy s GLU 1196Ca 0.01 -1.06 -0.11 0.00 0.36 0.00 0.00 54.97 54.17 3hoy s GLU 1196Cb -0.13 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3hoy s GLU 1196CO 0.03 -0.61 1.08 -0.51 -0.54 0.00 0.00 175.26 174.71 3hoy s LEU 1197N 1.48 2.95 -0.07 2.70 1.43 -1.03 -1.16 118.68 124.97 3hoy s LEU 1197Ca 0.01 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.14 3hoy s LEU 1197Cb -0.19 -3.98 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 3hoy s LEU 1197CO 0.04 -1.28 0.30 -0.62 0.23 0.00 0.00 176.35 175.02 3hoy s ASP 1198N -4.34 6.60 0.00 2.29 -1.08 0.01 -4.52 116.67 115.64 3hoy s ASP 1198Ca 0.58 0.71 0.00 0.00 -0.52 0.00 0.00 52.55 53.32 3hoy s ASP 1198Cb -0.11 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 3hoy s ASP 1198CO 0.52 0.30 0.81 0.54 0.52 0.00 0.00 175.17 177.86 3hoy n ARG 1199N 2.24 0.00 -0.27 4.34 1.74 -1.26 -1.29 116.66 122.16 3hoy n ARG 1199Ca -0.15 0.48 0.09 0.00 -0.77 0.00 0.00 57.85 57.49 3hoy n ARG 1199Cb 0.53 -1.39 0.22 0.00 -1.02 0.00 0.00 32.46 30.80 3hoy n ARG 1199CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hoy h ALA 1200N -2.00 1.07 -0.45 7.54 0.00 -2.00 0.14 119.26 123.56 3hoy h ALA 1200Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hoy h ALA 1200Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hoy h ALA 1200CO 0.00 -0.39 0.30 0.00 0.00 0.00 0.00 179.25 179.16 3hoy h ALA 1201N 1.69 0.58 0.00 0.00 0.00 -1.93 -1.33 119.26 118.27 3hoy h ALA 1201Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hoy h ALA 1201Cb 0.87 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hoy h ALA 1201CO -0.59 0.03 0.00 -1.33 0.00 0.00 0.00 179.25 177.36 3hoy n MET 1202N -4.77 0.38 -0.00 0.00 2.00 0.03 -3.48 117.12 111.27 3hoy n MET 1202Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.69 3hoy n MET 1202Cb 0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 33.22 32.23 3hoy n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3hoy n ASN 1203N -0.48 0.84 -0.31 7.83 3.02 -0.51 -0.63 115.26 125.02 3hoy n ASN 1203Ca 0.00 0.13 0.14 0.00 -0.03 0.00 0.00 54.58 54.82 3hoy n ASN 1203Cb 0.00 -0.37 0.28 0.00 -0.61 0.00 0.00 39.78 39.08 3hoy n ASN 1203CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hoy n ASP 1204N -3.30 -0.08 -3.88 6.41 -0.08 -1.13 0.18 116.55 114.67 3hoy n ASP 1204Ca -0.03 1.50 -0.36 0.00 -1.51 0.00 0.00 54.79 54.39 3hoy n ASP 1204Cb 0.12 -0.56 -0.04 0.00 2.34 0.00 0.00 41.12 42.98 3hoy n ASP 1204CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3hoy n LYS 1205N -5.27 3.31 -0.75 -0.67 5.02 -1.23 -5.03 118.16 113.55 3hoy n LYS 1205Ca 0.22 -4.57 -0.33 0.00 -2.02 0.00 0.00 58.31 51.61 3hoy n LYS 1205Cb 0.71 -2.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 3hoy n LYS 1205CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hoy n ASP 1206N 1.54 0.48 -4.06 4.39 -0.08 0.48 -4.70 116.55 114.59 3hoy n ASP 1206Ca 0.26 0.46 -0.08 0.00 -1.51 0.00 0.00 54.79 53.91 3hoy n ASP 1206Cb 0.37 -0.47 -0.10 0.00 2.34 0.00 0.00 41.12 43.26 3hoy n ASP 1206CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3hoy s LEU 1207N 2.54 2.41 -0.12 -2.67 1.43 0.20 -4.95 118.68 117.52 3hoy s LEU 1207Ca 0.60 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3hoy s LEU 1207Cb -0.78 0.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 3hoy s LEU 1207CO 0.38 -0.49 -0.13 -0.89 0.23 0.00 0.00 176.35 175.45 3hoy s THR 1208N -3.11 3.11 0.24 5.49 2.01 -1.26 -4.88 115.64 117.23 3hoy s THR 1208Ca -0.00 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 3hoy s THR 1208Cb 0.02 -2.30 0.20 0.00 0.01 0.00 0.00 72.50 70.43 3hoy s THR 1208CO -0.07 0.53 1.81 0.24 -0.69 0.00 0.00 174.62 176.44 3hoy h MET 1209N 6.52 0.73 -0.15 4.92 0.00 -1.98 0.34 114.93 125.29 3hoy h MET 1209Ca -0.29 -0.04 0.05 0.00 0.00 0.00 0.00 59.70 59.42 3hoy h MET 1209Cb 1.20 -0.16 -0.07 0.00 0.00 0.00 0.00 31.60 32.57 3hoy h MET 1209CO 0.55 0.48 -0.40 0.78 0.00 0.00 0.00 176.91 178.32 3hoy h GLY 1210N 0.75 -0.64 -0.09 8.32 0.00 -1.94 -1.66 103.07 107.81 3hoy h GLY 1210Ca 0.38 0.50 0.01 0.00 0.00 0.00 0.00 47.33 48.22 3hoy h GLY 1210CO -0.24 -0.22 -0.15 1.46 0.00 0.00 0.00 176.54 177.39 3hoy h GLN 1211N -0.46 -0.12 0.00 4.80 4.20 -1.02 0.13 115.11 122.64 3hoy h GLN 1211Ca 0.09 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hoy h GLN 1211Cb 0.61 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3hoy h GLN 1211CO -0.40 -0.08 0.00 0.28 -0.67 0.00 0.00 178.83 177.96 3hoy n VAL 1212N -3.40 0.00 -0.33 -0.54 0.31 0.85 -0.81 118.33 114.41 3hoy n VAL 1212Ca -0.01 0.95 0.14 0.00 -0.01 0.00 0.00 64.34 65.40 3hoy n VAL 1212Cb 0.10 -1.36 0.32 0.00 -0.91 0.00 0.00 33.84 31.99 3hoy n VAL 1212CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hoy h GLY 1213N 0.00 1.71 -0.58 2.92 0.00 -1.33 0.33 103.07 106.13 3hoy h GLY 1213Ca 0.00 -0.29 0.35 0.00 0.00 0.00 0.00 47.33 47.39 3hoy h GLY 1213CO 0.00 -0.16 0.77 0.83 0.00 0.00 0.00 176.54 177.98 3hoy h GLU 1214N 0.61 0.22 0.00 4.80 4.39 0.14 1.37 114.58 126.11 3hoy h GLU 1214Ca 0.58 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.27 3hoy h GLU 1214Cb 1.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 3hoy h GLU 1214CO -0.44 0.14 -0.00 -0.09 -1.16 0.00 0.00 179.01 177.46 3hoy h ARG 1215N 0.22 -0.00 -0.85 2.33 9.65 0.33 -2.43 114.38 123.64 3hoy h ARG 1215Ca 0.69 0.00 0.21 0.00 -1.10 0.00 0.00 59.98 59.78 3hoy h ARG 1215Cb 2.05 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 30.50 3hoy h ARG 1215CO -0.31 0.57 0.25 0.82 2.80 0.00 0.00 179.97 184.10 3hoy h ILE 1216N -1.00 0.39 0.15 1.20 2.04 -0.31 1.45 117.51 121.44 3hoy h ILE 1216Ca -0.00 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3hoy h ILE 1216Cb 0.58 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3hoy h ILE 1216CO 0.00 0.05 -0.28 0.50 0.00 0.00 0.00 178.15 178.41 3hoy h LYS 1217N 0.26 -0.50 0.00 2.37 1.63 0.16 -2.25 116.57 118.25 3hoy h LYS 1217Ca 0.52 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.35 3hoy h LYS 1217Cb 1.00 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 3hoy h LYS 1217CO -0.60 -0.33 0.00 -0.56 -3.45 0.00 0.00 179.45 174.51 3hoy h GLN 1218N -0.52 0.00 0.59 1.90 3.07 0.65 0.13 115.11 120.94 3hoy h GLN 1218Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 3hoy h GLN 1218Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.10 3hoy h GLN 1218CO -0.15 0.00 -0.28 1.15 0.09 0.00 0.00 178.83 179.64 3hoy h THR 1219N 0.00 0.14 0.16 1.86 2.02 0.23 -3.35 112.91 113.97 3hoy h THR 1219Ca 0.00 -0.40 -0.33 0.00 0.77 0.00 0.00 66.41 66.46 3hoy h THR 1219Cb 0.57 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3hoy h THR 1219CO 0.00 0.02 -1.60 -0.26 0.37 0.00 0.00 175.52 174.05 3hoy h PHE 1220N -1.14 0.61 0.00 3.16 -1.00 -1.59 -3.50 116.94 113.47 3hoy h PHE 1220Ca -0.08 -0.45 0.00 0.00 2.81 0.00 0.00 57.97 60.25 3hoy h PHE 1220Cb 0.65 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.18 3hoy h PHE 1220CO 0.00 1.51 0.00 1.63 -1.61 0.00 0.00 178.31 179.84 3hoy n LYS 1221N -3.53 0.00 -1.67 1.51 5.02 0.03 -4.55 118.16 114.96 3hoy n LYS 1221Ca -0.19 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.70 3hoy n LYS 1221Cb 1.06 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 36.06 3hoy n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hoy n ASN 1222N 4.05 8.05 -2.21 4.39 4.13 -1.26 -3.67 115.26 128.74 3hoy n ASN 1222Ca 0.00 -2.86 -0.02 0.00 1.68 0.00 0.00 54.58 53.39 3hoy n ASN 1222Cb 0.00 -1.48 0.07 0.00 -1.54 0.00 0.00 39.78 36.84 3hoy n ASN 1222CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hoy n ASP 1223N 2.92 -0.90 -2.79 6.41 5.68 -1.26 -5.00 116.55 121.62 3hoy n ASP 1223Ca 0.69 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 3hoy n ASP 1223Cb 0.25 0.45 0.01 0.00 -1.14 0.00 0.00 41.12 40.69 3hoy n ASP 1223CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3hoy s LEU 1224N -2.38 -0.46 -0.06 -2.12 2.96 -1.24 -3.96 118.68 111.42 3hoy s LEU 1224Ca 0.06 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.36 3hoy s LEU 1224Cb 0.25 0.59 -0.05 0.00 0.50 0.00 0.00 46.19 47.49 3hoy s LEU 1224CO -0.07 -0.04 1.60 0.12 -1.32 0.00 0.00 176.35 176.63 3hoy s PHE 1225N 1.71 2.11 0.02 5.38 5.36 -0.95 -4.87 117.98 126.74 3hoy s PHE 1225Ca 0.17 0.31 0.07 0.00 -0.96 0.00 0.00 56.93 56.52 3hoy s PHE 1225Cb 0.04 -3.86 -0.03 0.00 -0.34 0.00 0.00 43.02 38.84 3hoy s PHE 1225CO -0.13 -3.56 -0.21 0.08 -1.46 0.00 0.00 175.22 169.94 3hoy s VAL 1226N 3.90 2.54 0.08 3.12 1.01 -1.26 -2.07 120.40 127.73 3hoy s VAL 1226Ca 0.71 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3hoy s VAL 1226Cb -0.32 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3hoy s VAL 1226CO 0.28 0.42 -0.01 -0.63 0.00 0.00 0.00 175.10 175.16 3hoy s ILE 1227N -0.81 0.25 -0.09 2.22 1.09 -0.26 -5.01 121.20 118.59 3hoy s ILE 1227Ca 0.13 -1.86 -0.27 0.00 -1.10 0.00 0.00 60.65 57.55 3hoy s ILE 1227Cb -0.10 -1.72 0.06 0.00 -1.06 0.00 0.00 42.46 39.64 3hoy s ILE 1227CO 0.03 -0.80 0.62 -1.66 -0.10 0.00 0.00 174.94 173.02 3hoy s TRP 1228N -3.92 -0.60 0.81 3.97 -2.14 -1.26 -1.10 118.94 114.70 3hoy s TRP 1228Ca 0.13 1.14 -0.13 0.00 2.66 0.00 0.00 56.10 59.90 3hoy s TRP 1228Cb 0.07 0.32 0.21 0.00 -3.10 0.00 0.00 33.47 30.97 3hoy s TRP 1228CO -0.05 -0.51 0.57 -1.13 -2.66 0.00 0.00 176.95 173.16 3hoy n SER 1229N 1.39 -2.59 -4.20 -2.66 3.41 0.65 -4.99 113.62 104.63 3hoy n SER 1229Ca -0.18 -0.68 -0.25 0.00 -0.26 0.00 0.00 58.87 57.50 3hoy n SER 1229Cb 0.56 -0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 63.78 3hoy n SER 1229CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hoy s GLU 1230N -4.32 1.42 0.08 4.33 2.12 -1.26 -4.78 118.70 116.29 3hoy s GLU 1230Ca 0.40 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 55.04 3hoy s GLU 1230Cb -0.06 -1.42 0.30 0.00 0.26 0.00 0.00 34.13 33.22 3hoy s GLU 1230CO 0.33 0.38 0.35 -0.25 -0.54 0.00 0.00 175.26 175.52 3hoy n ASP 1231N 2.35 0.07 -0.05 -1.70 8.00 -1.26 0.21 116.55 124.16 3hoy n ASP 1231Ca -0.16 0.36 -0.11 0.00 0.71 0.00 0.00 54.79 55.59 3hoy n ASP 1231Cb 0.54 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 3hoy n ASP 1231CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3hoy h ASN 1232N 0.00 0.26 -2.19 -2.24 2.35 -1.98 -3.47 115.58 108.31 3hoy h ASN 1232Ca 0.19 -0.22 -0.60 0.00 -0.55 0.00 0.00 56.30 55.12 3hoy h ASN 1232Cb 0.52 -0.07 0.18 0.00 0.05 0.00 0.00 38.32 39.00 3hoy h ASN 1232CO -0.16 0.41 -1.02 0.47 -1.65 0.00 0.00 177.43 175.49 3hoy n ASP 1233N -4.80 -3.19 -0.17 5.81 8.00 0.55 -4.91 116.55 117.84 3hoy n ASP 1233Ca -0.04 0.66 -0.07 0.00 0.71 0.00 0.00 54.79 56.05 3hoy n ASP 1233Cb 0.16 -0.91 0.10 0.00 -0.02 0.00 0.00 41.12 40.44 3hoy n ASP 1233CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3hoy h GLU 1234N 0.02 0.94 -5.17 -1.24 4.11 -1.90 -3.41 114.58 107.94 3hoy h GLU 1234Ca -0.42 -0.27 -0.67 0.00 0.07 0.00 0.00 59.36 58.07 3hoy h GLU 1234Cb 1.44 -0.10 -0.34 0.00 0.50 0.00 0.00 28.75 30.25 3hoy h GLU 1234CO 0.43 0.92 -0.87 0.15 0.07 0.00 0.00 179.01 179.71 3hoy s LYS 1235N -5.03 2.95 -0.10 1.06 1.02 -1.26 -5.06 119.74 113.32 3hoy s LYS 1235Ca -0.11 -0.83 -0.21 0.00 0.02 0.00 0.00 55.97 54.84 3hoy s LYS 1235Cb 0.14 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 3hoy s LYS 1235CO 0.83 -0.01 0.60 -0.51 -0.92 0.00 0.00 175.35 175.35 3hoy s LEU 1236N 0.80 4.29 -0.04 3.17 1.43 -1.26 -4.78 118.68 122.29 3hoy s LEU 1236Ca -0.08 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.84 3hoy s LEU 1236Cb -0.16 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.19 3hoy s LEU 1236CO -0.01 -0.08 0.43 -0.63 0.23 0.00 0.00 176.35 176.29 3hoy s ILE 1237N 0.80 0.03 -0.16 -0.59 1.01 -1.26 -2.46 121.20 118.56 3hoy s ILE 1237Ca 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3hoy s ILE 1237Cb -0.17 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.61 3hoy s ILE 1237CO 0.14 -0.16 -0.12 -0.63 0.00 0.00 0.00 174.94 174.17 3hoy s ILE 1238N -1.13 1.54 -0.16 2.92 1.01 -0.20 -0.25 121.20 124.93 3hoy s ILE 1238Ca -0.11 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3hoy s ILE 1238Cb -0.04 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3hoy s ILE 1238CO 0.06 0.34 0.07 -0.13 0.00 0.00 0.00 174.94 175.27 3hoy s ARG 1239N 1.48 3.74 -0.06 2.79 0.52 -0.26 -1.61 118.95 125.55 3hoy s ARG 1239Ca 0.03 -0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3hoy s ARG 1239Cb -0.14 -3.15 0.04 0.00 0.52 0.00 0.00 34.95 32.22 3hoy s ARG 1239CO -0.10 0.42 0.14 0.00 0.02 0.00 0.00 175.30 175.78 3hoy s ARG 1241N 1.05 1.98 0.00 0.00 0.52 -0.88 -1.83 118.95 119.79 3hoy s ARG 1241Ca -0.08 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 3hoy s ARG 1241Cb -0.11 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.15 3hoy s ARG 1241CO -0.05 0.49 0.00 0.28 0.02 0.00 0.00 175.30 176.04 3hoy n VAL 1242N 0.70 0.00 -3.56 3.52 0.31 -1.26 -2.24 118.33 115.80 3hoy n VAL 1242Ca -0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.07 3hoy n VAL 1242Cb 0.53 -0.96 -0.05 0.00 -0.91 0.00 0.00 33.84 32.45 3hoy n VAL 1242CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hoy s VAL 1243N -0.44 0.00 -0.52 2.52 1.01 -1.25 -3.68 120.40 118.04 3hoy s VAL 1243Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 61.98 61.62 3hoy s VAL 1243Cb 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 35.23 3hoy s VAL 1243CO 0.00 0.00 2.29 -1.14 0.00 0.00 0.00 175.10 176.25 3hoy n ARG 1244N 0.69 0.60 0.00 2.72 3.00 -1.02 -4.91 116.66 117.73 3hoy n ARG 1244Ca -0.12 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3hoy n ARG 1244Cb 0.58 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.91 3hoy n ARG 1244CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hoy n ALA 1254N 9.95 0.00 0.00 5.13 0.00 -1.26 -5.13 120.51 129.20 3hoy n ALA 1254Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3hoy n ALA 1254Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3hoy n ALA 1254CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hoy n GLU 1255N -1.64 0.00 0.11 0.00 -0.58 -1.26 -5.09 120.64 112.18 3hoy n GLU 1255Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3hoy n GLU 1255Cb 0.00 0.00 0.46 0.00 -0.57 0.00 0.00 31.44 31.33 3hoy n GLU 1255CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hoy n GLU 1256N 0.00 0.18 -0.03 3.49 1.02 -1.26 -2.13 120.64 121.91 3hoy n GLU 1256Ca 0.00 0.37 -0.16 0.00 -0.02 0.00 0.00 57.16 57.34 3hoy n GLU 1256Cb 0.00 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 29.53 3hoy n GLU 1256CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hoy h ASP 1257N 0.00 0.76 -0.09 1.62 3.32 -1.99 -0.01 116.42 120.04 3hoy h ASP 1257Ca 0.00 -0.63 -0.14 0.00 0.02 0.00 0.00 57.03 56.28 3hoy h ASP 1257Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3hoy h ASP 1257CO 0.00 1.27 -0.41 -0.74 -1.72 0.00 0.00 179.24 177.64 3hoy h HIS 1258N 0.30 0.73 -0.01 4.55 2.76 -1.98 -2.52 115.15 118.99 3hoy h HIS 1258Ca -0.04 -0.22 -0.16 0.00 -2.20 0.00 0.00 60.37 57.75 3hoy h HIS 1258Cb 1.24 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 3hoy h HIS 1258CO 0.10 0.93 -0.74 0.52 -1.30 0.00 0.00 177.93 177.43 3hoy h MET 1259N 0.50 0.11 -0.05 5.26 2.86 -1.34 -3.10 114.93 119.18 3hoy h MET 1259Ca 0.04 -0.10 -0.23 0.00 -2.06 0.00 0.00 59.70 57.35 3hoy h MET 1259Cb 0.92 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.62 3hoy h MET 1259CO 0.08 0.80 -0.88 1.25 1.06 0.00 0.00 176.91 179.22 3hoy h LEU 1260N 0.07 0.69 -2.45 1.22 5.85 -0.97 -2.98 115.31 116.73 3hoy h LEU 1260Ca -0.02 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.21 3hoy h LEU 1260Cb 1.31 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3hoy h LEU 1260CO 0.11 1.30 0.10 0.11 -0.34 0.00 0.00 178.44 179.72 3hoy h LYS 1261N 0.34 0.00 0.30 1.25 1.57 -1.40 0.16 116.57 118.80 3hoy h LYS 1261Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3hoy h LYS 1261Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3hoy h LYS 1261CO 0.16 0.00 -0.14 0.87 -0.57 0.00 0.00 179.45 179.77 3hoy h LYS 1262N 0.00 -0.39 -0.02 3.15 1.57 -1.45 -3.05 116.57 116.39 3hoy h LYS 1262Ca 0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hoy h LYS 1262Cb 0.23 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 3hoy h LYS 1262CO -0.00 -0.26 0.39 0.82 -0.57 0.00 0.00 179.45 179.83 3hoy h ILE 1263N -0.99 0.01 -0.25 1.86 2.04 -1.27 -0.06 117.51 118.86 3hoy h ILE 1263Ca -0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3hoy h ILE 1263Cb 0.31 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 3hoy h ILE 1263CO 0.07 0.00 -0.20 -0.08 0.00 0.00 0.00 178.15 177.94 3hoy h GLU 1264N 0.00 -0.18 0.03 2.37 4.57 -0.60 -2.73 114.58 118.04 3hoy h GLU 1264Ca 0.01 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3hoy h GLU 1264Cb 0.79 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3hoy h GLU 1264CO -0.00 -0.12 -0.21 -0.91 -1.18 0.00 0.00 179.01 176.59 3hoy h ASN 1265N -0.19 0.11 0.00 1.04 2.35 -1.12 -3.12 115.58 114.66 3hoy h ASN 1265Ca 0.14 -0.98 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 3hoy h ASN 1265Cb 0.40 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3hoy h ASN 1265CO -0.36 1.10 0.57 0.74 -1.65 0.00 0.00 177.43 177.83 3hoy h THR 1266N -0.85 0.00 0.02 2.81 2.02 -1.51 2.00 112.91 117.39 3hoy h THR 1266Ca -0.04 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.78 3hoy h THR 1266Cb 1.16 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3hoy h THR 1266CO 0.03 0.00 -2.27 0.23 0.37 0.00 0.00 175.52 173.88 3hoy n MET 1267N -2.17 0.68 0.08 6.66 2.81 -1.03 -3.50 117.12 120.64 3hoy n MET 1267Ca -0.01 0.12 -0.17 0.00 -1.81 0.00 0.00 57.70 55.84 3hoy n MET 1267Cb 0.59 -1.58 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 3hoy n MET 1267CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3hoy h LEU 1268N 0.01 0.43 0.00 4.03 3.38 0.28 -3.37 115.31 120.07 3hoy h LEU 1268Ca -0.51 -0.53 -0.29 0.00 0.09 0.00 0.00 57.88 56.65 3hoy h LEU 1268Cb 2.07 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.63 3hoy h LEU 1268CO 0.00 1.43 -2.12 -0.62 0.09 0.00 0.00 178.44 177.22 3hoy n GLU 1269N -3.50 1.25 -1.01 1.13 -0.58 0.28 -3.64 120.64 114.56 3hoy n GLU 1269Ca -0.13 -0.02 -0.12 0.00 -0.42 0.00 0.00 57.16 56.47 3hoy n GLU 1269Cb 1.04 -1.43 0.18 0.00 -0.57 0.00 0.00 31.44 30.66 3hoy n GLU 1269CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hoy n ASN 1270N -2.59 3.18 -3.97 1.62 3.02 -1.23 -4.95 115.26 110.34 3hoy n ASN 1270Ca -0.26 -3.76 -0.25 0.00 -0.03 0.00 0.00 54.58 50.28 3hoy n ASN 1270Cb 1.01 -0.68 -0.17 0.00 -0.61 0.00 0.00 39.78 39.33 3hoy n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hoy s ILE 1271N -3.45 1.08 0.02 2.41 1.01 -1.26 -4.92 121.20 116.09 3hoy s ILE 1271Ca 0.49 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.82 3hoy s ILE 1271Cb 0.43 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 3hoy s ILE 1271CO 0.02 0.36 -0.20 -0.89 0.00 0.00 0.00 174.94 174.23 3hoy s THR 1272N 1.14 2.66 -0.17 2.92 2.01 -1.26 -2.70 115.64 120.24 3hoy s THR 1272Ca -0.06 -1.12 -0.15 0.00 0.31 0.00 0.00 61.69 60.67 3hoy s THR 1272Cb -0.14 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.23 3hoy s THR 1272CO -0.02 0.41 -0.31 0.18 -0.69 0.00 0.00 174.62 174.19 3hoy n LEU 1273N 1.82 1.83 -4.53 4.42 4.32 0.21 -4.91 117.00 120.16 3hoy n LEU 1273Ca -0.16 0.31 -0.27 0.00 -0.02 0.00 0.00 56.01 55.87 3hoy n LEU 1273Cb 0.52 -0.70 -0.08 0.00 -1.62 0.00 0.00 43.42 41.54 3hoy n LEU 1273CO 0.25 -0.16 -0.18 -0.13 -1.22 0.00 0.00 177.39 175.95 3hoy s ARG 1274N -2.74 1.99 0.13 3.23 0.52 -1.23 -4.97 118.95 115.88 3hoy s ARG 1274Ca -0.27 -2.23 0.00 0.00 -0.52 0.00 0.00 55.73 52.70 3hoy s ARG 1274Cb 0.05 -0.60 0.00 0.00 0.52 0.00 0.00 34.95 34.93 3hoy s ARG 1274CO 0.39 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.60 3hoy n GLY 1275N -0.96 -2.31 3.79 -3.53 0.00 -0.98 -1.44 105.19 99.75 3hoy n GLY 1275Ca -0.07 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3hoy n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoy s VAL 1276N -2.59 4.69 1.26 1.61 1.01 0.12 -4.67 120.40 121.82 3hoy s VAL 1276Ca 0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 3hoy s VAL 1276Cb 0.00 -3.20 0.29 0.00 0.00 0.00 0.00 36.38 33.47 3hoy s VAL 1276CO 0.00 0.25 0.79 -1.84 0.00 0.00 0.00 175.10 174.30 3hoy n GLU 1277N 0.83 -3.14 0.00 2.72 0.28 -1.26 -2.75 120.64 117.32 3hoy n GLU 1277Ca -0.11 -0.91 0.00 0.00 -0.16 0.00 0.00 57.16 55.99 3hoy n GLU 1277Cb 0.52 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 31.40 3hoy n GLU 1277CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hoy n ASN 1278N -4.59 0.00 -4.56 -1.84 3.02 -1.26 -4.74 115.26 101.29 3hoy n ASN 1278Ca 0.05 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.23 3hoy n ASN 1278Cb 0.56 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.65 3hoy n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hoy s ILE 1279N -0.00 3.70 0.00 2.41 1.09 -1.11 -4.19 121.20 123.10 3hoy s ILE 1279Ca 0.00 -0.36 0.00 0.00 -1.10 0.00 0.00 60.65 59.19 3hoy s ILE 1279Cb 0.00 -4.64 0.00 0.00 -1.06 0.00 0.00 42.46 36.76 3hoy s ILE 1279CO 0.00 -1.56 0.00 -0.62 -0.10 0.00 0.00 174.94 172.66 3hoy n GLU 1280N 8.99 2.06 -0.46 2.79 -0.58 -1.22 -2.09 120.64 130.15 3hoy n GLU 1280Ca 0.29 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.88 3hoy n GLU 1280Cb 0.50 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.37 3hoy n GLU 1280CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3hoy n ARG 1281N 0.00 0.00 -3.67 3.49 0.63 -1.26 -4.49 116.66 111.36 3hoy n ARG 1281Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3hoy n ARG 1281Cb 0.00 -0.37 -0.13 0.00 0.45 0.00 0.00 32.46 32.41 3hoy n ARG 1281CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hoy s VAL 1282N -0.75 -0.42 0.24 5.15 1.01 -1.26 -3.28 120.40 121.10 3hoy s VAL 1282Ca 0.21 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.51 3hoy s VAL 1282Cb -0.17 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3hoy s VAL 1282CO 0.25 0.11 0.23 -0.69 0.00 0.00 0.00 175.10 175.00 3hoy s VAL 1283N 2.36 4.64 -0.14 2.92 1.01 -0.94 -4.96 120.40 125.30 3hoy s VAL 1283Ca 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 60.63 3hoy s VAL 1283Cb -0.12 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3hoy s VAL 1283CO -0.09 -0.33 0.06 -0.04 0.00 0.00 0.00 175.10 174.70 3hoy s MET 1284N -3.84 3.60 0.02 2.72 -1.94 -1.26 -1.77 119.30 116.83 3hoy s MET 1284Ca 0.33 -0.31 0.02 0.00 -1.71 0.00 0.00 55.69 54.03 3hoy s MET 1284Cb -0.08 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.64 3hoy s MET 1284CO 0.26 0.50 -0.08 -1.64 -0.01 0.00 0.00 175.02 174.05 3hoy s MET 1285N -0.29 0.56 -0.50 2.03 -1.94 0.22 -4.96 119.30 114.42 3hoy s MET 1285Ca 0.08 -0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 53.50 3hoy s MET 1285Cb -0.12 -0.44 0.13 0.00 2.01 0.00 0.00 34.83 36.41 3hoy s MET 1285CO 0.02 0.10 0.30 0.21 -0.01 0.00 0.00 175.02 175.64 3hoy s LYS 1286N -0.96 2.21 0.27 2.03 2.20 -1.26 0.13 119.74 124.36 3hoy s LYS 1286Ca -0.04 -2.18 -0.24 0.00 -0.36 0.00 0.00 55.97 53.16 3hoy s LYS 1286Cb -0.07 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 3hoy s LYS 1286CO 0.00 -1.11 0.85 0.71 -0.36 0.00 0.00 175.35 175.44 3hoy s TYR 1287N 0.53 3.71 0.06 4.03 4.12 -0.82 -4.88 117.35 124.09 3hoy s TYR 1287Ca 0.13 1.63 -0.25 0.00 0.02 0.00 0.00 57.07 58.60 3hoy s TYR 1287Cb -0.22 -2.80 -0.06 0.00 -1.52 0.00 0.00 41.96 37.37 3hoy s TYR 1287CO -0.04 0.30 0.76 0.34 0.02 0.00 0.00 175.55 176.93 3hoy s ASP 1288N -1.56 7.23 -0.03 2.29 -1.08 -1.26 -1.42 116.67 120.83 3hoy s ASP 1288Ca 0.46 1.46 0.01 0.00 -0.52 0.00 0.00 52.55 53.96 3hoy s ASP 1288Cb -0.19 -2.47 0.02 0.00 -1.46 0.00 0.00 42.92 38.83 3hoy s ASP 1288CO 0.23 0.04 -0.02 -0.60 0.52 0.00 0.00 175.17 175.34 3hoy s ARG 1289N -0.19 0.50 0.02 4.34 3.52 -1.26 -4.92 118.95 120.96 3hoy s ARG 1289Ca 0.38 -0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.67 3hoy s ARG 1289Cb -0.21 -0.60 -0.03 0.00 -1.56 0.00 0.00 34.95 32.55 3hoy s ARG 1289CO 0.23 -0.10 0.97 0.15 -0.81 0.00 0.00 175.30 175.75 3hoy s LYS 1290N 0.90 4.58 -0.02 5.12 1.02 -1.26 -0.31 119.74 129.77 3hoy s LYS 1290Ca -0.10 1.42 -0.10 0.00 0.02 0.00 0.00 55.97 57.21 3hoy s LYS 1290Cb -0.13 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 3hoy s LYS 1290CO -0.01 -0.00 0.20 0.54 -0.92 0.00 0.00 175.35 175.16 3hoy s VAL 1291N 0.83 0.06 0.04 3.17 0.11 -0.12 -4.89 120.40 119.60 3hoy s VAL 1291Ca 0.51 -0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 3hoy s VAL 1291Cb -0.21 -0.47 -0.08 0.00 -1.53 0.00 0.00 36.38 34.08 3hoy s VAL 1291CO 0.28 -0.29 1.81 -2.84 -3.33 0.00 0.00 175.10 170.74 3hoy s PRO 1292N -1.14 4.16 0.71 1.54 0.02 -1.26 0.64 135.00 139.66 3hoy s PRO 1292Ca -0.12 2.47 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 3hoy s PRO 1292Cb -0.06 -3.91 0.02 0.00 0.02 0.00 0.00 34.50 30.57 3hoy s PRO 1292CO 0.02 -0.87 1.07 0.45 -0.33 0.00 0.00 177.00 177.34 3hoy s SER 1293N 3.49 5.16 0.19 2.53 0.15 0.11 -4.88 113.70 120.45 3hoy s SER 1293Ca 0.81 1.68 -0.11 0.00 0.70 0.00 0.00 55.95 59.02 3hoy s SER 1293Cb -0.41 -2.50 0.17 0.00 -1.71 0.00 0.00 66.02 61.57 3hoy s SER 1293CO 0.36 -1.59 1.81 1.55 1.20 0.00 0.00 173.24 176.57 3hoy h PRO 1294N -0.79 0.62 0.00 5.44 0.13 -1.94 -1.23 132.00 134.22 3hoy h PRO 1294Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hoy h PRO 1294Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hoy h PRO 1294CO 0.55 0.41 0.00 -2.37 -0.23 0.00 0.00 178.00 176.36 3hoy n THR 1295N -4.80 0.96 0.00 1.56 5.66 -1.26 -4.94 114.28 111.45 3hoy n THR 1295Ca 0.06 0.29 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 3hoy n THR 1295Cb 0.13 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.73 3hoy n THR 1295CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hoy n GLY 1296N -0.19 3.10 3.35 1.09 0.00 -0.47 -3.29 105.19 108.78 3hoy n GLY 1296Ca 0.02 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3hoy n GLY 1296CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hoy n GLU 1297N 0.00 -1.81 -3.57 1.61 4.71 -1.16 -4.16 120.64 116.26 3hoy n GLU 1297Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 57.16 56.30 3hoy n GLU 1297Cb 0.00 -1.86 -0.05 0.00 -1.01 0.00 0.00 31.44 28.52 3hoy n GLU 1297CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3hoy s TYR 1298N -2.30 3.58 0.04 -0.32 1.51 -1.26 0.06 117.35 118.66 3hoy s TYR 1298Ca 0.60 0.79 -0.04 0.00 -1.01 0.00 0.00 57.07 57.41 3hoy s TYR 1298Cb -0.17 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.50 3hoy s TYR 1298CO 0.66 0.52 0.06 0.08 -1.11 0.00 0.00 175.55 175.75 3hoy s VAL 1299N -1.40 0.15 -0.60 0.71 1.01 0.21 -4.84 120.40 115.65 3hoy s VAL 1299Ca 0.33 -1.25 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 3hoy s VAL 1299Cb -0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3hoy s VAL 1299CO 0.18 -0.69 1.92 -0.54 0.00 0.00 0.00 175.10 175.97 3hoy s LYS 1300N -2.88 2.57 -0.76 2.72 1.02 -1.26 -0.95 119.74 120.20 3hoy s LYS 1300Ca -0.03 0.69 0.03 0.00 0.02 0.00 0.00 55.97 56.69 3hoy s LYS 1300Cb 0.00 -4.41 0.25 0.00 -0.52 0.00 0.00 37.83 33.16 3hoy s LYS 1300CO -0.06 -2.80 0.89 -1.91 -0.92 0.00 0.00 175.35 170.55 3hoy n GLU 1301N 9.17 2.90 -1.50 1.68 2.13 0.57 -4.91 120.64 130.68 3hoy n GLU 1301Ca 0.22 -4.62 -0.46 0.00 0.66 0.00 0.00 57.16 52.96 3hoy n GLU 1301Cb 0.52 -2.33 -0.02 0.00 0.27 0.00 0.00 31.44 29.88 3hoy n GLU 1301CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3hoy n PRO 1302N 1.15 0.74 -4.22 5.31 -0.04 -1.26 -4.23 135.00 132.44 3hoy n PRO 1302Ca 0.28 0.26 -0.17 0.00 -0.04 0.00 0.00 63.50 63.83 3hoy n PRO 1302Cb 0.39 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 3hoy n PRO 1302CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hoy s GLU 1303N -1.31 0.97 0.11 0.54 -1.05 -0.51 -4.24 118.70 113.21 3hoy s GLU 1303Ca 0.61 -1.22 -0.22 0.00 -0.15 0.00 0.00 54.97 53.99 3hoy s GLU 1303Cb -0.80 -0.78 -0.07 0.00 -0.44 0.00 0.00 34.13 32.04 3hoy s GLU 1303CO 0.58 0.14 0.66 -1.58 0.95 0.00 0.00 175.26 176.01 3hoy s TRP 1304N -2.28 3.84 -0.02 4.83 0.52 -0.97 -1.95 118.94 122.91 3hoy s TRP 1304Ca 0.08 1.42 -0.05 0.00 0.02 0.00 0.00 56.10 57.57 3hoy s TRP 1304Cb -0.04 -2.62 0.01 0.00 -1.15 0.00 0.00 33.47 29.67 3hoy s TRP 1304CO 0.02 0.54 0.11 0.08 0.02 0.00 0.00 176.95 177.73 3hoy s VAL 1305N -1.06 0.04 -0.15 4.03 1.01 0.35 -4.12 120.40 120.51 3hoy s VAL 1305Ca 0.32 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3hoy s VAL 1305Cb -0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3hoy s VAL 1305CO 0.22 -0.18 0.05 -0.76 0.00 0.00 0.00 175.10 174.43 3hoy s LEU 1306N -0.58 3.83 -0.31 3.92 1.43 -0.37 0.72 118.68 127.31 3hoy s LEU 1306Ca -0.07 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 3hoy s LEU 1306Cb -0.04 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3hoy s LEU 1306CO 0.01 0.26 0.12 -1.61 0.23 0.00 0.00 176.35 175.36 3hoy s GLU 1307N -0.18 3.18 0.00 1.70 2.02 -0.73 -0.91 118.70 123.78 3hoy s GLU 1307Ca 0.07 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3hoy s GLU 1307Cb -0.12 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.63 3hoy s GLU 1307CO 0.01 -0.45 0.00 -2.37 0.02 0.00 0.00 175.26 172.48 3hoy n THR 1308N 4.92 0.00 -2.67 3.63 5.66 0.11 -2.21 114.28 123.72 3hoy n THR 1308Ca -0.14 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.82 3hoy n THR 1308Cb 0.48 -0.99 0.02 0.00 -1.55 0.00 0.00 70.33 68.30 3hoy n THR 1308CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hoy n ASP 1309N 0.00 -1.33 0.00 1.09 -0.08 -1.21 -4.50 116.55 110.52 3hoy n ASP 1309Ca 0.00 -1.87 0.00 0.00 -1.51 0.00 0.00 54.79 51.41 3hoy n ASP 1309Cb 0.00 1.03 0.00 0.00 2.34 0.00 0.00 41.12 44.49 3hoy n ASP 1309CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hoy n GLY 1310N -0.45 3.28 3.07 0.27 0.00 -1.23 -3.37 105.19 106.76 3hoy n GLY 1310Ca -0.20 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 3hoy n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hoy s VAL 1311N -2.00 1.32 -0.43 1.61 1.01 -1.23 -4.46 120.40 116.22 3hoy s VAL 1311Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3hoy s VAL 1311Cb 0.00 -1.18 0.17 0.00 0.00 0.00 0.00 36.38 35.38 3hoy s VAL 1311CO 0.00 0.39 0.53 0.21 0.00 0.00 0.00 175.10 176.23 3hoy s ASN 1312N 0.47 -0.16 0.00 3.32 2.47 -1.26 -4.84 114.94 114.94 3hoy s ASN 1312Ca -0.13 -1.72 0.00 0.00 0.42 0.00 0.00 52.86 51.43 3hoy s ASN 1312Cb -0.15 1.09 0.00 0.00 -1.45 0.00 0.00 41.25 40.74 3hoy s ASN 1312CO 0.04 -0.16 0.71 -0.11 -3.72 0.00 0.00 177.10 173.86 3hoy n LEU 1313N 3.64 0.14 -0.39 3.21 7.94 -1.26 -1.62 117.00 128.67 3hoy n LEU 1313Ca 0.16 0.78 0.31 0.00 -1.11 0.00 0.00 56.01 56.15 3hoy n LEU 1313Cb 0.51 -0.37 0.50 0.00 0.53 0.00 0.00 43.42 44.60 3hoy n LEU 1313CO 0.04 -0.37 0.90 -1.54 -1.11 0.00 0.00 177.39 175.32 3hoy n SER 1314N -1.60 0.08 -0.03 1.96 3.41 -1.26 -1.18 113.62 115.00 3hoy n SER 1314Ca 0.00 0.82 -0.02 0.00 -0.26 0.00 0.00 58.87 59.41 3hoy n SER 1314Cb 0.00 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 3hoy n SER 1314CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hoy h GLU 1315N 0.00 0.00 0.00 4.33 3.07 -2.00 -3.36 114.58 116.62 3hoy h GLU 1315Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 3hoy h GLU 1315Cb 2.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.11 3hoy h GLU 1315CO -0.18 0.00 0.19 0.28 -1.40 0.00 0.00 179.01 177.90 3hoy n VAL 1316N -3.18 1.09 0.04 3.13 0.31 -0.64 -0.85 118.33 118.23 3hoy n VAL 1316Ca -0.02 0.60 -0.18 0.00 -0.01 0.00 0.00 64.34 64.72 3hoy n VAL 1316Cb 0.09 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.34 3hoy n VAL 1316CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 3hoy h MET 1317N 0.00 0.65 -0.00 5.55 -1.53 -1.31 -3.28 114.93 115.01 3hoy h MET 1317Ca 0.00 -0.67 0.00 0.00 -3.44 0.00 0.00 59.70 55.59 3hoy h MET 1317Cb 0.38 0.19 0.00 0.00 -0.55 0.00 0.00 31.60 31.62 3hoy h MET 1317CO 0.00 1.27 -0.08 0.25 0.14 0.00 0.00 176.91 178.49 3hoy n THR 1318N -3.84 0.00 -1.77 -0.77 -2.24 -0.03 -4.58 114.28 101.05 3hoy n THR 1318Ca -0.10 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 3hoy n THR 1318Cb 0.86 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.99 3hoy n THR 1318CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hoy s VAL 1319N -2.37 2.01 0.42 2.28 1.01 -1.22 -4.97 120.40 117.55 3hoy s VAL 1319Ca 0.32 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 3hoy s VAL 1319Cb 0.20 -3.00 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 3hoy s VAL 1319CO 0.45 0.00 0.97 -2.16 0.00 0.00 0.00 175.10 174.36 3hoy s PRO 1320N -2.32 4.21 0.00 2.72 0.04 -1.26 -3.82 135.00 134.58 3hoy s PRO 1320Ca 0.58 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.85 3hoy s PRO 1320Cb -0.45 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3hoy s PRO 1320CO 0.60 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.00 3hoy n GLY 1321N -0.29 0.77 3.82 0.56 0.00 -1.26 -4.95 105.19 103.83 3hoy n GLY 1321Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3hoy n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hoy s ILE 1322N -2.68 2.74 -0.78 -0.61 -4.36 -1.25 -0.71 121.20 113.55 3hoy s ILE 1322Ca 0.00 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 58.77 3hoy s ILE 1322Cb 0.00 -3.02 0.20 0.00 1.25 0.00 0.00 42.46 40.90 3hoy s ILE 1322CO 0.00 -0.05 0.71 -0.62 0.24 0.00 0.00 174.94 175.21 3hoy s ASP 1323N -4.01 6.55 0.00 4.36 -1.08 0.71 -4.25 116.67 118.95 3hoy s ASP 1323Ca 0.44 -2.61 0.01 0.00 -0.52 0.00 0.00 52.55 49.86 3hoy s ASP 1323Cb -0.02 -2.17 0.04 0.00 -1.46 0.00 0.00 42.92 39.31 3hoy s ASP 1323CO 0.26 -0.58 0.32 -0.81 0.52 0.00 0.00 175.17 174.87 3hoy n PRO 1324N 4.06 0.27 -0.04 4.34 -0.04 -1.26 -1.95 135.00 140.38 3hoy n PRO 1324Ca 0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 3hoy n PRO 1324Cb 0.45 -1.04 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 3hoy n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3hoy n THR 1325N -0.54 0.44 0.01 0.52 5.66 -1.26 -4.56 114.28 114.55 3hoy n THR 1325Ca 0.00 -0.53 0.01 0.00 -3.05 0.00 0.00 64.05 60.49 3hoy n THR 1325Cb 0.00 -0.16 0.03 0.00 -1.55 0.00 0.00 70.33 68.66 3hoy n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hoy n ARG 1326N -2.32 1.70 -1.88 1.09 1.74 -0.82 -5.02 116.66 111.15 3hoy n ARG 1326Ca -0.12 -1.30 -0.42 0.00 -0.77 0.00 0.00 57.85 55.23 3hoy n ARG 1326Cb 0.69 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 31.04 3hoy n ARG 1326CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3hoy s ILE 1327N -0.73 2.72 0.05 0.55 2.07 -1.18 -4.77 121.20 119.92 3hoy s ILE 1327Ca 0.05 0.36 0.07 0.00 -1.41 0.00 0.00 60.65 59.73 3hoy s ILE 1327Cb 0.03 -3.23 -0.03 0.00 0.13 0.00 0.00 42.46 39.36 3hoy s ILE 1327CO 0.04 0.01 -0.20 -0.47 -1.91 0.00 0.00 174.94 172.41 3hoy s TYR 1328N 1.97 1.76 -0.03 3.50 5.04 -0.74 -5.01 117.35 123.83 3hoy s TYR 1328Ca 0.74 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 55.01 3hoy s TYR 1328Cb -0.43 -1.03 0.01 0.00 0.35 0.00 0.00 41.96 40.85 3hoy s TYR 1328CO 0.32 0.11 -0.08 0.99 -1.34 0.00 0.00 175.55 175.56 3hoy s THR 1329N -0.87 0.68 0.09 4.34 2.01 -1.26 0.56 115.64 121.20 3hoy s THR 1329Ca 0.07 -0.29 0.34 0.00 0.31 0.00 0.00 61.69 62.11 3hoy s THR 1329Cb -0.09 -0.62 0.38 0.00 0.01 0.00 0.00 72.50 72.18 3hoy s THR 1329CO 0.02 0.22 1.99 -0.55 -0.69 0.00 0.00 174.62 175.62 3hoy h ASN 1330N 6.51 0.00 -0.49 3.53 7.08 -1.90 -3.35 115.58 126.96 3hoy h ASN 1330Ca -0.34 0.00 -0.55 0.00 -3.08 0.00 0.00 56.30 52.33 3hoy h ASN 1330Cb 1.17 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.37 3hoy h ASN 1330CO 0.49 0.00 1.91 -0.24 -2.08 0.00 0.00 177.43 177.50 3hoy n SER 1331N -3.01 3.78 0.27 6.14 2.88 -1.26 -4.69 113.62 117.73 3hoy n SER 1331Ca 0.00 -2.79 0.17 0.00 -1.33 0.00 0.00 58.87 54.92 3hoy n SER 1331Cb 0.28 -1.65 0.80 0.00 -0.75 0.00 0.00 64.21 62.89 3hoy n SER 1331CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3hoy h PHE 1332N 8.23 0.00 -0.50 0.66 -5.15 -1.95 1.11 116.94 119.34 3hoy h PHE 1332Ca 0.37 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.14 3hoy h PHE 1332Cb 0.84 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.98 3hoy h PHE 1332CO 1.32 0.00 0.31 0.82 -2.00 0.00 0.00 178.31 178.76 3hoy h ILE 1333N 0.00 1.14 0.21 0.88 1.08 -1.93 -0.96 117.51 117.93 3hoy h ILE 1333Ca 0.05 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 3hoy h ILE 1333Cb 0.77 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 3hoy h ILE 1333CO -0.00 0.14 -0.10 0.44 -0.69 0.00 0.00 178.15 177.94 3hoy h ASP 1334N 0.69 -0.23 -1.38 1.72 3.32 0.90 -3.17 116.42 118.27 3hoy h ASP 1334Ca 0.18 0.01 0.43 0.00 0.02 0.00 0.00 57.03 57.67 3hoy h ASP 1334Cb -0.04 0.06 -0.11 0.00 0.22 0.00 0.00 39.33 39.46 3hoy h ASP 1334CO -0.04 0.14 0.92 0.40 -1.72 0.00 0.00 179.24 178.95 3hoy h ILE 1335N -0.90 0.17 -0.47 0.35 2.04 -1.46 0.92 117.51 118.16 3hoy h ILE 1335Ca -0.03 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3hoy h ILE 1335Cb 0.21 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 3hoy h ILE 1335CO 0.05 0.02 0.28 -0.03 0.00 0.00 0.00 178.15 178.47 3hoy h MET 1336N 0.09 0.55 -0.00 2.37 4.05 -1.20 -1.63 114.93 119.16 3hoy h MET 1336Ca 0.80 -0.03 -0.24 0.00 -0.28 0.00 0.00 59.70 59.95 3hoy h MET 1336Cb 2.63 -0.12 0.01 0.00 -0.80 0.00 0.00 31.60 33.32 3hoy h MET 1336CO -0.31 0.36 -0.96 0.93 0.23 0.00 0.00 176.91 177.16 3hoy h GLU 1337N 0.57 0.50 0.00 0.39 5.08 0.89 -3.04 114.58 118.96 3hoy h GLU 1337Ca 0.19 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3hoy h GLU 1337Cb 0.01 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hoy h GLU 1337CO -0.08 1.17 -0.03 0.28 -1.00 0.00 0.00 179.01 179.35 3hoy h VAL 1338N 0.28 0.00 0.00 3.13 2.07 -1.36 -3.40 116.25 116.97 3hoy h VAL 1338Ca -0.09 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hoy h VAL 1338Cb 1.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3hoy h VAL 1338CO 0.17 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.94 3hoy n LEU 1339N -2.97 0.00 0.00 2.57 4.77 -0.62 -5.03 117.00 115.72 3hoy n LEU 1339Ca -0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3hoy n LEU 1339Cb 0.01 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3hoy n LEU 1339CO 0.01 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 3hoy n GLY 1340N 0.86 2.17 0.16 -0.72 0.00 -1.15 -4.39 105.19 102.13 3hoy n GLY 1340Ca 0.10 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 3hoy n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hoy h ILE 1341N 0.00 1.06 -0.71 -0.61 6.09 -1.89 -0.93 117.51 120.51 3hoy h ILE 1341Ca 0.00 -0.16 0.11 0.00 -1.37 0.00 0.00 64.86 63.44 3hoy h ILE 1341Cb 0.00 0.56 -0.08 0.00 0.47 0.00 0.00 36.82 37.78 3hoy h ILE 1341CO 0.00 0.08 0.32 -0.33 -3.07 0.00 0.00 178.15 175.16 3hoy h GLU 1342N 0.45 0.52 -0.11 2.19 4.39 -1.93 0.36 114.58 120.45 3hoy h GLU 1342Ca 0.14 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 3hoy h GLU 1342Cb -0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3hoy h GLU 1342CO -0.05 0.34 -0.53 0.00 -1.16 0.00 0.00 179.01 177.61 3hoy h ALA 1343N 1.46 0.90 0.36 3.43 0.00 -1.69 -2.54 119.26 121.19 3hoy h ALA 1343Ca 0.36 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hoy h ALA 1343Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hoy h ALA 1343CO -0.31 0.68 -0.46 0.78 0.00 0.00 0.00 179.25 179.94 3hoy h GLY 1344N 1.32 -1.20 -0.22 0.00 0.00 0.94 0.06 103.07 103.98 3hoy h GLY 1344Ca 0.01 0.58 0.31 0.00 0.00 0.00 0.00 47.33 48.22 3hoy h GLY 1344CO 0.09 -0.34 0.76 -0.09 0.00 0.00 0.00 176.54 176.95 3hoy h ARG 1345N -0.84 0.12 -0.31 4.80 2.43 -0.50 0.44 114.38 120.51 3hoy h ARG 1345Ca -0.04 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3hoy h ARG 1345Cb 0.76 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3hoy h ARG 1345CO -0.11 0.08 0.01 0.00 -1.51 0.00 0.00 179.97 178.44 3hoy h ALA 1346N 1.50 0.42 0.27 2.80 0.00 -0.60 -2.71 119.26 120.93 3hoy h ALA 1346Ca 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3hoy h ALA 1346Cb 1.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3hoy h ALA 1346CO -0.10 0.16 -0.13 0.00 0.00 0.00 0.00 179.25 179.18 3hoy h ALA 1347N 0.85 -0.36 -1.37 0.00 0.00 0.97 -1.62 119.26 117.72 3hoy h ALA 1347Ca 0.09 -0.20 0.48 0.00 0.00 0.00 0.00 54.91 55.28 3hoy h ALA 1347Cb 0.43 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 3hoy h ALA 1347CO 0.01 -0.44 0.88 1.25 0.00 0.00 0.00 179.25 180.95 3hoy h LEU 1348N -0.88 0.20 0.00 0.00 5.85 -0.91 0.53 115.31 120.12 3hoy h LEU 1348Ca -0.04 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hoy h LEU 1348Cb 0.51 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3hoy h LEU 1348CO 0.06 -0.26 -0.00 0.22 -0.34 0.00 0.00 178.44 178.12 3hoy h TYR 1349N 0.01 -0.01 -0.96 1.25 3.20 -1.46 -2.29 116.97 116.71 3hoy h TYR 1349Ca 0.88 -0.00 0.30 0.00 3.14 0.00 0.00 58.73 63.05 3hoy h TYR 1349Cb 2.81 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 40.93 3hoy h TYR 1349CO -0.01 0.55 0.41 -0.22 -1.64 0.00 0.00 178.16 177.26 3hoy h LYS 1350N -1.00 0.23 0.44 1.82 3.64 0.84 0.45 116.57 123.00 3hoy h LYS 1350Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3hoy h LYS 1350Cb 0.56 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3hoy h LYS 1350CO 0.00 0.15 -0.21 1.49 -2.27 0.00 0.00 179.45 178.61 3hoy h GLU 1351N 0.23 -0.58 -0.58 1.90 4.57 -0.34 -1.97 114.58 117.82 3hoy h GLU 1351Ca 0.67 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.95 3hoy h GLU 1351Cb 1.50 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 30.17 3hoy h GLU 1351CO -0.66 -0.27 0.29 0.28 -1.18 0.00 0.00 179.01 177.47 3hoy h VAL 1352N -0.91 0.93 -0.33 0.32 2.07 -0.49 -0.49 116.25 117.35 3hoy h VAL 1352Ca -0.06 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.36 3hoy h VAL 1352Cb 0.57 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3hoy h VAL 1352CO 0.10 0.10 0.23 0.22 0.02 0.00 0.00 177.57 178.24 3hoy h TYR 1353N 0.54 0.04 0.00 1.57 3.20 -0.15 -1.68 116.97 120.49 3hoy h TYR 1353Ca 0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3hoy h TYR 1353Cb 0.19 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3hoy h TYR 1353CO -0.11 0.02 -0.25 0.09 -1.64 0.00 0.00 178.16 176.27 3hoy n ASN 1354N -4.45 0.76 0.08 -2.11 3.02 -0.22 -1.70 115.26 110.64 3hoy n ASN 1354Ca 0.05 0.38 -0.13 0.00 -0.03 0.00 0.00 54.58 54.85 3hoy n ASN 1354Cb 0.38 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.01 3hoy n ASN 1354CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hoy h VAL 1355N 0.00 1.49 0.00 2.41 2.07 -0.96 -2.37 116.25 118.89 3hoy h VAL 1355Ca 0.00 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.40 3hoy h VAL 1355Cb 0.73 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 3hoy h VAL 1355CO 0.00 0.89 -0.37 0.40 0.02 0.00 0.00 177.57 178.51 3hoy h ILE 1356N 0.05 0.00 0.10 4.57 2.04 -1.51 -3.30 117.51 119.46 3hoy h ILE 1356Ca -0.12 -0.79 -0.14 0.00 1.00 0.00 0.00 64.86 64.81 3hoy h ILE 1356Cb 1.92 1.58 0.02 0.00 -0.74 0.00 0.00 36.82 39.59 3hoy h ILE 1356CO 0.17 0.00 -0.63 0.00 0.00 0.00 0.00 178.15 177.69 3hoy h ALA 1357N 2.21 -0.06 -0.25 1.87 0.00 -1.30 -2.79 119.26 118.95 3hoy h ALA 1357Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.31 3hoy h ALA 1357Cb 0.89 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3hoy h ALA 1357CO 0.00 0.30 -0.18 0.66 0.00 0.00 0.00 179.25 180.03 3hoy h SER 1358N -0.54 -0.58 -0.01 0.00 4.64 -1.54 0.27 113.55 115.79 3hoy h SER 1358Ca -0.11 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hoy h SER 1358Cb 1.48 0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3hoy h SER 1358CO 0.11 -0.22 0.40 -0.78 -0.87 0.00 0.00 176.83 175.47 3hoy h ASP 1359N -0.17 0.00 0.00 4.97 -0.00 -1.67 -3.44 116.42 116.11 3hoy h ASP 1359Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.17 3hoy h ASP 1359Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.71 3hoy h ASP 1359CO -0.35 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.50 3hoy n GLY 1360N -1.25 0.54 4.02 -0.78 0.00 0.95 -5.06 105.19 103.61 3hoy n GLY 1360Ca -0.02 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 3hoy n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hoy s SER 1361N -2.44 4.88 0.00 1.61 0.01 -1.05 -5.04 113.70 111.66 3hoy s SER 1361Ca 0.00 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.56 3hoy s SER 1361Cb 0.00 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.43 3hoy s SER 1361CO 0.00 -1.49 -0.05 -0.47 0.41 0.00 0.00 173.24 171.64 3hoy s TYR 1362N -2.80 0.42 -0.04 2.43 5.04 -1.26 -4.52 117.35 116.62 3hoy s TYR 1362Ca 0.63 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.14 3hoy s TYR 1362Cb -0.06 -0.27 0.02 0.00 0.35 0.00 0.00 41.96 42.01 3hoy s TYR 1362CO 0.40 -0.02 -0.02 0.08 -1.34 0.00 0.00 175.55 174.66 3hoy s VAL 1363N -0.26 0.32 0.19 3.14 1.01 -1.26 -4.75 120.40 118.79 3hoy s VAL 1363Ca 0.00 0.01 -0.32 0.00 0.00 0.00 0.00 61.98 61.68 3hoy s VAL 1363Cb -0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 36.38 35.84 3hoy s VAL 1363CO -0.00 0.18 1.73 0.21 0.00 0.00 0.00 175.10 177.23 3hoy s ASN 1364N 1.07 6.40 0.19 3.32 3.04 -1.24 -4.82 114.94 122.91 3hoy s ASN 1364Ca -0.09 2.83 0.04 0.00 0.04 0.00 0.00 52.86 55.68 3hoy s ASN 1364Cb -0.14 -2.59 0.53 0.00 -1.54 0.00 0.00 41.25 37.51 3hoy s ASN 1364CO -0.01 -0.97 0.93 0.00 -3.04 0.00 0.00 177.10 174.01 3hoy n TYR 1365N 4.33 0.45 -0.34 0.43 9.36 -1.26 -1.46 117.16 128.67 3hoy n TYR 1365Ca 0.16 0.71 0.12 0.00 3.32 0.00 0.00 57.90 62.21 3hoy n TYR 1365Cb 0.36 -0.99 0.31 0.00 -0.63 0.00 0.00 39.34 38.39 3hoy n TYR 1365CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3hoy h ARG 1366N 0.00 0.68 0.06 2.98 0.11 -1.90 -0.18 114.38 116.13 3hoy h ARG 1366Ca 0.39 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.43 3hoy h ARG 1366Cb 0.87 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.80 3hoy h ARG 1366CO -0.53 0.45 -0.03 0.45 0.10 0.00 0.00 179.97 180.41 3hoy h HIS 1367N 0.70 -0.08 -0.50 4.08 3.86 -1.61 0.13 115.15 121.74 3hoy h HIS 1367Ca 0.56 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.79 3hoy h HIS 1367Cb 0.88 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.35 3hoy h HIS 1367CO -0.03 0.15 0.29 0.52 0.86 0.00 0.00 177.93 179.72 3hoy h MET 1368N -0.30 0.56 0.32 2.45 2.86 -1.60 -2.34 114.93 116.89 3hoy h MET 1368Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hoy h MET 1368Cb 0.26 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3hoy h MET 1368CO 0.01 0.37 -0.33 0.00 1.06 0.00 0.00 176.91 178.02 3hoy h ALA 1369N 1.22 -0.70 -0.85 6.32 0.00 -0.84 0.59 119.26 125.01 3hoy h ALA 1369Ca 0.20 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.20 3hoy h ALA 1369Cb 0.03 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3hoy h ALA 1369CO -0.10 -0.93 0.57 1.25 0.00 0.00 0.00 179.25 180.04 3hoy h LEU 1370N -0.69 0.34 0.47 0.00 5.85 -0.58 0.52 115.31 121.24 3hoy h LEU 1370Ca -0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3hoy h LEU 1370Cb 0.63 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3hoy h LEU 1370CO -0.07 0.15 -0.23 0.25 -0.34 0.00 0.00 178.44 178.20 3hoy h LEU 1371N 0.35 -0.53 -0.89 2.25 5.85 -0.79 -2.74 115.31 118.80 3hoy h LEU 1371Ca 0.43 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.38 3hoy h LEU 1371Cb 1.14 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 3hoy h LEU 1371CO -0.14 -0.26 0.41 0.58 -0.34 0.00 0.00 178.44 178.69 3hoy h VAL 1372N -0.88 0.53 -0.25 1.05 2.07 0.02 0.30 116.25 119.10 3hoy h VAL 1372Ca -0.06 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 3hoy h VAL 1372Cb 0.48 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3hoy h VAL 1372CO 0.11 0.08 -0.24 0.44 0.02 0.00 0.00 177.57 177.98 3hoy h ASP 1373N 0.45 0.46 -0.34 0.57 3.32 -0.04 -2.72 116.42 118.13 3hoy h ASP 1373Ca 0.54 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 3hoy h ASP 1373Cb 0.98 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3hoy h ASP 1373CO -0.49 0.70 0.02 0.58 -1.72 0.00 0.00 179.24 178.33 3hoy h VAL 1374N 0.41 1.25 0.00 -1.35 2.07 -0.65 0.17 116.25 118.15 3hoy h VAL 1374Ca 0.06 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3hoy h VAL 1374Cb 0.64 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3hoy h VAL 1374CO 0.05 0.30 0.00 0.23 0.02 0.00 0.00 177.57 178.17 3hoy n MET 1375N -4.55 0.07 -0.06 1.57 2.81 -0.69 -3.69 117.12 112.57 3hoy n MET 1375Ca -0.02 0.47 -0.08 0.00 -1.81 0.00 0.00 57.70 56.26 3hoy n MET 1375Cb 0.25 -1.69 -0.07 0.00 -0.71 0.00 0.00 33.22 31.00 3hoy n MET 1375CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3hoy n THR 1376N -1.83 0.74 -0.19 2.03 -1.04 -0.30 -2.25 114.28 111.44 3hoy n THR 1376Ca 0.01 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.05 61.59 3hoy n THR 1376Cb 0.08 -0.91 -0.06 0.00 -1.82 0.00 0.00 70.33 67.63 3hoy n THR 1376CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3hoy h THR 1377N 0.00 0.06 -1.14 12.58 1.35 -0.81 -2.23 112.91 122.71 3hoy h THR 1377Ca -0.29 0.00 0.33 0.00 -0.55 0.00 0.00 66.41 65.90 3hoy h THR 1377Cb 1.50 0.06 -0.05 0.00 -1.73 0.00 0.00 68.15 67.93 3hoy h THR 1377CO -0.03 0.00 1.19 1.56 -0.25 0.00 0.00 175.52 177.99 3hoy h GLN 1378N -0.27 0.00 0.00 4.72 4.20 -1.87 -3.43 115.11 118.46 3hoy h GLN 1378Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hoy h GLN 1378Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3hoy h GLN 1378CO -0.67 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 177.90 3hoy n GLY 1379N -1.74 3.00 0.00 3.46 0.00 -0.84 -5.09 105.19 103.99 3hoy n GLY 1379Ca 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hoy n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hoy n GLY 1380N 0.00 3.93 2.84 -0.02 0.00 -1.25 -4.90 105.19 105.78 3hoy n GLY 1380Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 3hoy n GLY 1380CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hoy n LEU 1381N 0.00 4.73 -4.66 0.99 4.77 -1.26 -4.31 117.00 117.26 3hoy n LEU 1381Ca 0.00 -5.58 -0.46 0.00 -0.03 0.00 0.00 56.01 49.94 3hoy n LEU 1381Cb 0.00 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.47 3hoy n LEU 1381CO 0.00 2.31 1.07 0.41 -1.33 0.00 0.00 177.39 179.85 3hoy n THR 1382N -0.29 0.48 -3.51 -5.08 -1.04 -0.95 -4.94 114.28 98.96 3hoy n THR 1382Ca 0.34 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.05 61.98 3hoy n THR 1382Cb 0.43 -1.43 -0.02 0.00 -1.82 0.00 0.00 70.33 67.49 3hoy n THR 1382CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hoy s SER 1383N 0.55 6.34 -1.39 8.00 1.04 -1.26 -4.56 113.70 122.42 3hoy s SER 1383Ca 0.74 0.43 -0.14 0.00 0.48 0.00 0.00 55.95 57.46 3hoy s SER 1383Cb -0.69 -2.02 -0.00 0.00 0.10 0.00 0.00 66.02 63.40 3hoy s SER 1383CO 0.45 -0.20 2.29 0.52 0.98 0.00 0.00 173.24 177.27 3hoy n VAL 1384N -1.39 3.35 -3.82 5.02 0.31 -0.84 -1.43 118.33 119.53 3hoy n VAL 1384Ca -0.05 -2.74 -0.12 0.00 -0.01 0.00 0.00 64.34 61.42 3hoy n VAL 1384Cb 0.55 -2.56 -0.10 0.00 -0.91 0.00 0.00 33.84 30.82 3hoy n VAL 1384CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hoy s THR 1385N 3.28 0.06 0.63 2.52 2.01 -1.26 -4.82 115.64 118.06 3hoy s THR 1385Ca 0.51 -0.47 0.17 0.00 0.31 0.00 0.00 61.69 62.21 3hoy s THR 1385Cb 0.14 -0.47 0.23 0.00 0.01 0.00 0.00 72.50 72.42 3hoy s THR 1385CO -0.06 -0.26 1.28 -0.09 -0.69 0.00 0.00 174.62 174.80 3hoy h ARG 1386N 4.48 0.00 0.10 4.92 2.43 -1.97 0.68 114.38 125.02 3hoy h ARG 1386Ca -0.29 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.55 3hoy h ARG 1386Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3hoy h ARG 1386CO 0.39 0.00 -1.74 0.45 -1.51 0.00 0.00 179.97 177.56 3hoy h HIS 1387N 0.00 0.37 0.00 2.20 3.86 -1.94 -3.40 115.15 116.24 3hoy h HIS 1387Ca 0.24 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3hoy h HIS 1387Cb 2.25 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.70 3hoy h HIS 1387CO 0.00 1.45 0.00 0.41 0.86 0.00 0.00 177.93 180.65 3hoy n GLY 1388N 1.76 0.56 0.39 2.45 0.00 0.24 -4.58 105.19 106.01 3hoy n GLY 1388Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 3hoy n GLY 1388CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3hoy h PHE 1389N 0.00 -1.27 0.00 1.61 -5.15 -1.23 -0.07 116.94 110.83 3hoy h PHE 1389Ca 0.00 0.09 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 3hoy h PHE 1389Cb 0.00 0.66 0.00 0.00 0.22 0.00 0.00 35.95 36.83 3hoy h PHE 1389CO 0.00 -0.41 0.00 -1.71 -2.00 0.00 0.00 178.31 174.19 3hoy n ASN 1390N -5.41 0.00 -2.40 -0.68 5.15 -1.25 -2.80 115.26 107.88 3hoy n ASN 1390Ca 0.04 -0.44 -0.28 0.00 -0.60 0.00 0.00 54.58 53.31 3hoy n ASN 1390Cb 0.35 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.61 3hoy n ASN 1390CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hoy n ARG 1391N -0.62 3.39 0.00 1.20 1.74 -0.04 -4.90 116.66 117.43 3hoy n ARG 1391Ca 0.01 -4.30 0.00 0.00 -0.77 0.00 0.00 57.85 52.80 3hoy n ARG 1391Cb 0.01 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 3hoy n ARG 1391CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hoy n SER 1392N -0.56 0.69 0.02 0.55 3.41 -1.12 -5.01 113.62 111.61 3hoy n SER 1392Ca 0.42 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 3hoy n SER 1392Cb 0.70 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.94 3hoy n SER 1392CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hoy n ASN 1393N 0.00 0.50 -4.46 4.04 3.02 -1.26 -4.91 115.26 112.20 3hoy n ASN 1393Ca 0.00 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 3hoy n ASN 1393Cb 0.00 0.06 0.06 0.00 -0.61 0.00 0.00 39.78 39.29 3hoy n ASN 1393CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hoy n THR 1394N -1.74 1.82 -1.64 3.41 -2.24 -1.26 -4.86 114.28 107.77 3hoy n THR 1394Ca 0.05 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 3hoy n THR 1394Cb 0.37 -0.71 0.07 0.00 -2.10 0.00 0.00 70.33 67.97 3hoy n THR 1394CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hoy s GLY 1395N -1.40 2.58 0.06 3.38 0.00 -1.26 -4.76 107.32 105.92 3hoy s GLY 1395Ca 0.66 1.01 -0.13 0.00 0.00 0.00 0.00 44.72 46.26 3hoy s GLY 1395CO 0.58 1.42 1.21 0.00 0.00 0.00 0.00 173.10 176.31 3hoy h ALA 1396N 0.19 -0.34 -0.98 3.20 0.00 -1.91 -1.34 119.26 118.08 3hoy h ALA 1396Ca -0.49 0.02 0.27 0.00 0.00 0.00 0.00 54.91 54.71 3hoy h ALA 1396Cb 1.31 1.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.99 3hoy h ALA 1396CO 0.52 -0.48 0.54 -0.07 0.00 0.00 0.00 179.25 179.75 3hoy h LEU 1397N -0.07 0.53 0.00 0.00 3.38 -1.96 0.27 115.31 117.46 3hoy h LEU 1397Ca 0.05 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hoy h LEU 1397Cb 0.20 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hoy h LEU 1397CO -0.31 -0.01 0.00 0.80 0.09 0.00 0.00 178.44 179.01 3hoy n MET 1398N -4.99 0.00 -0.21 1.13 1.56 -0.57 -3.25 117.12 110.79 3hoy n MET 1398Ca 0.28 0.05 0.12 0.00 -0.27 0.00 0.00 57.70 57.87 3hoy n MET 1398Cb 0.81 -1.01 0.23 0.00 2.15 0.00 0.00 33.22 35.40 3hoy n MET 1398CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3hoy n ARG 1399N -0.64 -0.05 0.00 2.12 1.74 -0.80 0.77 116.66 119.79 3hoy n ARG 1399Ca 0.00 0.90 0.06 0.00 -0.77 0.00 0.00 57.85 58.04 3hoy n ARG 1399Cb 0.00 -1.48 0.32 0.00 -1.02 0.00 0.00 32.46 30.28 3hoy n ARG 1399CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hoy n SER 1401N -1.26 4.28 -3.66 0.00 3.41 0.23 -3.87 113.62 112.76 3hoy n SER 1401Ca 0.06 -2.84 -0.11 0.00 -0.26 0.00 0.00 58.87 55.73 3hoy n SER 1401Cb 0.09 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 3hoy n SER 1401CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hoy s PHE 1402N -2.36 -0.18 0.00 7.33 5.36 -1.12 -4.91 117.98 122.11 3hoy s PHE 1402Ca 0.41 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.27 3hoy s PHE 1402Cb 0.33 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 43.23 3hoy s PHE 1402CO 0.11 -0.67 0.00 0.39 -1.46 0.00 0.00 175.22 173.59 3hoy n GLU 1403N -0.10 0.00 -1.02 10.12 -0.58 -1.26 -3.45 120.64 124.36 3hoy n GLU 1403Ca -0.16 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.38 3hoy n GLU 1403Cb 0.63 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.52 3hoy n GLU 1403CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hoy n GLU 1404N 0.00 1.95 0.00 3.49 1.02 -1.26 -4.85 120.64 120.99 3hoy n GLU 1404Ca 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 3hoy n GLU 1404Cb 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 3hoy n GLU 1404CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hoy n THR 1405N 0.37 0.00 0.06 2.62 -1.04 -1.22 -2.27 114.28 112.80 3hoy n THR 1405Ca 0.35 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.19 3hoy n THR 1405Cb 0.58 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.95 3hoy n THR 1405CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hoy h VAL 1406N 0.00 1.09 -0.10 12.58 2.07 -1.89 -2.97 116.25 127.03 3hoy h VAL 1406Ca 0.00 -2.73 -0.09 0.00 0.82 0.00 0.00 66.70 64.70 3hoy h VAL 1406Cb 0.00 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3hoy h VAL 1406CO 0.00 0.81 -0.33 -0.33 0.02 0.00 0.00 177.57 177.74 3hoy h GLU 1407N 0.07 0.20 -0.46 1.57 3.07 -1.87 -0.80 114.58 116.36 3hoy h GLU 1407Ca -0.27 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.47 3hoy h GLU 1407Cb 2.03 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.91 3hoy h GLU 1407CO 0.16 0.51 0.11 0.82 -1.40 0.00 0.00 179.01 179.21 3hoy h ILE 1408N 0.17 1.24 0.00 3.13 2.04 -1.54 0.28 117.51 122.84 3hoy h ILE 1408Ca 0.02 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 3hoy h ILE 1408Cb 0.68 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3hoy h ILE 1408CO 0.05 0.29 -0.35 -0.07 0.00 0.00 0.00 178.15 178.07 3hoy h LEU 1409N 0.61 0.00 0.12 1.44 3.38 -1.25 -1.92 115.31 117.68 3hoy h LEU 1409Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hoy h LEU 1409Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hoy h LEU 1409CO 0.00 0.35 -0.06 -0.26 0.09 0.00 0.00 178.44 178.57 3hoy h PHE 1410N 0.00 -0.14 -0.04 1.13 0.05 -0.66 -2.75 116.94 114.52 3hoy h PHE 1410Ca -0.00 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.79 3hoy h PHE 1410Cb 0.68 0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.68 3hoy h PHE 1410CO 0.00 0.30 0.27 0.93 -0.18 0.00 0.00 178.31 179.64 3hoy h GLU 1411N -0.92 0.00 0.06 1.51 5.08 -0.42 -1.74 114.58 118.14 3hoy h GLU 1411Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hoy h GLU 1411Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hoy h GLU 1411CO 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.01 3hoy h ALA 1412N 1.49 -0.08 0.00 3.43 0.00 -1.28 -2.82 119.26 120.00 3hoy h ALA 1412Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hoy h ALA 1412Cb 0.57 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hoy h ALA 1412CO -0.00 -0.09 -0.01 0.78 0.00 0.00 0.00 179.25 179.92 3hoy h GLY 1413N -0.97 0.00 1.33 0.00 0.00 -1.07 -0.12 103.07 102.24 3hoy h GLY 1413Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 3hoy h GLY 1413CO 0.01 0.00 -1.37 0.00 0.00 0.00 0.00 176.54 175.18 3hoy h ALA 1414N 1.99 -0.07 -0.59 3.60 0.00 -1.44 -2.97 119.26 119.79 3hoy h ALA 1414Ca -0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 54.91 53.91 3hoy h ALA 1414Cb 0.30 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3hoy h ALA 1414CO 0.00 0.75 0.16 -1.13 0.00 0.00 0.00 179.25 179.03 3hoy n SER 1415N -3.70 4.39 -3.74 0.00 3.41 -1.06 -4.74 113.62 108.18 3hoy n SER 1415Ca -0.14 -3.24 -0.20 0.00 -0.26 0.00 0.00 58.87 55.02 3hoy n SER 1415Cb 1.06 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 3hoy n SER 1415CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hoy n ALA 1416N -0.32 -1.68 -0.87 7.33 0.00 -0.12 -4.90 120.51 119.95 3hoy n ALA 1416Ca 0.35 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 3hoy n ALA 1416Cb 1.24 -0.95 0.22 0.00 0.00 0.00 0.00 19.45 19.96 3hoy n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hoy s GLU 1417N -5.85 -0.57 -0.08 0.00 2.02 -0.83 -4.68 118.70 108.70 3hoy s GLU 1417Ca 0.16 0.52 -0.01 0.00 0.02 0.00 0.00 54.97 55.66 3hoy s GLU 1417Cb -0.09 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.55 3hoy s GLU 1417CO 0.47 -3.41 -0.02 -1.17 0.02 0.00 0.00 175.26 171.15 3hoy s LEU 1418N -6.92 0.74 -0.29 1.80 2.96 -1.26 -1.61 118.68 114.09 3hoy s LEU 1418Ca 0.67 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 54.30 3hoy s LEU 1418Cb -0.20 -0.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 3hoy s LEU 1418CO 0.60 -0.18 0.31 -0.62 -1.32 0.00 0.00 176.35 175.14 3hoy s ASP 1419N 1.91 6.15 0.00 3.68 -1.08 -0.19 -4.92 116.67 122.22 3hoy s ASP 1419Ca 0.05 0.04 0.27 0.00 -0.52 0.00 0.00 52.55 52.39 3hoy s ASP 1419Cb -0.12 -2.18 0.94 0.00 -1.46 0.00 0.00 42.92 40.11 3hoy s ASP 1419CO -0.06 -0.18 1.72 -0.90 0.52 0.00 0.00 175.17 176.27 3hoy n ASP 1420N 5.25 0.23 -2.02 -0.34 3.85 -1.26 -0.51 116.55 121.75 3hoy n ASP 1420Ca -0.11 0.12 -0.11 0.00 -0.71 0.00 0.00 54.79 53.99 3hoy n ASP 1420Cb 0.51 -0.17 0.04 0.00 -1.35 0.00 0.00 41.12 40.15 3hoy n ASP 1420CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hoy n ARG 1422N -2.63 1.08 -3.39 0.00 1.74 -1.26 -4.78 116.66 107.41 3hoy n ARG 1422Ca -0.02 -0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 56.02 3hoy n ARG 1422Cb 0.54 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 3hoy n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hoy s GLY 1423N -2.40 2.42 0.11 -0.13 0.00 -1.26 -4.82 107.32 101.24 3hoy s GLY 1423Ca 0.26 -0.18 -0.32 0.00 0.00 0.00 0.00 44.72 44.47 3hoy s GLY 1423CO 0.49 0.07 1.58 -2.08 0.00 0.00 0.00 173.10 173.15 3hoy h VAL 1424N 2.69 0.10 -1.13 1.40 2.07 -1.93 -1.34 116.25 118.12 3hoy h VAL 1424Ca -0.48 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.36 3hoy h VAL 1424Cb 1.19 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 3hoy h VAL 1424CO 0.66 0.00 0.73 0.28 0.02 0.00 0.00 177.57 179.26 3hoy h SER 1425N -0.71 0.37 -0.43 0.57 0.02 -1.96 0.26 113.55 111.67 3hoy h SER 1425Ca 0.01 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3hoy h SER 1425Cb 0.72 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3hoy h SER 1425CO -0.24 -0.00 0.26 -0.33 -1.14 0.00 0.00 176.83 175.38 3hoy h GLU 1426N 0.29 0.59 0.00 3.45 4.39 -1.58 -0.70 114.58 121.02 3hoy h GLU 1426Ca 0.66 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 60.10 3hoy h GLU 1426Cb 1.85 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.37 3hoy h GLU 1426CO -0.33 0.44 -0.91 -0.91 -1.16 0.00 0.00 179.01 176.14 3hoy h ASN 1427N 0.57 0.37 0.04 1.42 2.35 -0.87 -1.95 115.58 117.52 3hoy h ASN 1427Ca 0.16 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3hoy h ASN 1427Cb -0.00 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3hoy h ASN 1427CO -0.03 1.10 -0.02 0.58 -1.65 0.00 0.00 177.43 177.42 3hoy h VAL 1428N 0.16 0.96 0.00 2.81 2.07 -0.98 0.76 116.25 122.03 3hoy h VAL 1428Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hoy h VAL 1428Cb 1.54 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3hoy h VAL 1428CO 0.15 0.00 -0.03 0.40 0.02 0.00 0.00 177.57 178.10 3hoy h ILE 1429N -0.05 0.95 0.00 4.57 2.04 -1.11 -1.98 117.51 121.92 3hoy h ILE 1429Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3hoy h ILE 1429Cb 0.04 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3hoy h ILE 1429CO 0.01 0.03 -0.88 0.18 0.00 0.00 0.00 178.15 177.49 3hoy n LEU 1430N -4.39 0.64 -1.16 1.44 4.77 -0.74 -4.97 117.00 112.60 3hoy n LEU 1430Ca -0.03 0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 3hoy n LEU 1430Cb 0.12 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3hoy n LEU 1430CO 0.33 0.00 0.04 0.61 -1.33 0.00 0.00 177.39 177.05 3hoy n GLY 1431N 1.35 0.54 3.51 -0.72 0.00 0.26 -5.05 105.19 105.08 3hoy n GLY 1431Ca 0.02 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 3hoy n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hoy s GLN 1432N -5.18 1.75 -0.17 1.61 -0.21 -0.70 -5.04 119.66 111.72 3hoy s GLN 1432Ca 0.12 -1.89 -0.29 0.00 0.02 0.00 0.00 55.36 53.32 3hoy s GLN 1432Cb -0.05 -1.63 -0.03 0.00 1.00 0.00 0.00 33.01 32.30 3hoy s GLN 1432CO 0.15 0.16 1.53 1.41 -2.12 0.00 0.00 175.29 176.42 3hoy s MET 1433N -3.61 3.99 0.70 2.91 -2.45 -1.26 -4.52 119.30 115.06 3hoy s MET 1433Ca 0.32 1.77 -0.13 0.00 -1.25 0.00 0.00 55.69 56.40 3hoy s MET 1433Cb 0.01 -3.96 0.02 0.00 1.25 0.00 0.00 34.83 32.15 3hoy s MET 1433CO 0.15 -1.05 1.09 0.00 1.05 0.00 0.00 175.02 176.26 3hoy s ALA 1434N 4.51 2.46 -0.98 4.11 0.00 -1.26 -4.86 121.76 125.74 3hoy s ALA 1434Ca 0.68 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 3hoy s ALA 1434Cb -0.26 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3hoy s ALA 1434CO 0.26 -1.40 2.48 -2.30 0.00 0.00 0.00 175.76 174.80 3hoy n PRO 1435N -2.91 2.47 -4.98 0.00 -0.02 -1.26 -4.34 135.00 123.95 3hoy n PRO 1435Ca 0.09 -1.56 -0.29 0.00 -2.02 0.00 0.00 63.50 59.72 3hoy n PRO 1435Cb 0.53 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 3hoy n PRO 1435CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hoy s ILE 1436N 2.72 1.99 0.00 4.25 1.09 -1.26 -4.35 121.20 125.64 3hoy s ILE 1436Ca 0.50 -1.23 0.00 0.00 -1.10 0.00 0.00 60.65 58.82 3hoy s ILE 1436Cb 0.15 -1.69 0.00 0.00 -1.06 0.00 0.00 42.46 39.86 3hoy s ILE 1436CO -0.04 0.41 0.00 0.61 -0.10 0.00 0.00 174.94 175.82 3hoy n GLY 1437N 2.05 0.76 0.00 6.18 0.00 -1.24 0.22 105.19 113.16 3hoy n GLY 1437Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hoy n GLY 1437CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hoy n THR 1438N 0.00 0.31 -0.15 2.61 -1.04 -1.26 -0.19 114.28 114.56 3hoy n THR 1438Ca 0.00 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 3hoy n THR 1438Cb 0.00 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3hoy n THR 1438CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hoy n GLY 1439N -0.94 -0.13 0.00 3.41 0.00 0.58 -4.66 105.19 103.45 3hoy n GLY 1439Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3hoy n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoy n ALA 1440N -0.13 2.02 -3.39 4.61 0.00 0.73 -4.30 120.51 120.05 3hoy n ALA 1440Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 3hoy n ALA 1440Cb 0.12 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3hoy n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hoy s PHE 1441N -2.00 0.39 0.37 0.00 -0.12 -1.26 -5.00 117.98 110.36 3hoy s PHE 1441Ca 0.11 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.25 3hoy s PHE 1441Cb 0.05 0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 42.78 3hoy s PHE 1441CO 0.09 -1.24 0.07 -0.51 -0.05 0.00 0.00 175.22 173.57 3hoy s ASP 1442N -3.08 4.24 -0.14 1.98 1.01 -1.26 -5.09 116.67 114.33 3hoy s ASP 1442Ca 0.21 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.42 3hoy s ASP 1442Cb -0.03 -0.51 0.02 0.00 1.01 0.00 0.00 42.92 43.41 3hoy s ASP 1442CO 0.12 -0.35 -0.14 -0.69 0.21 0.00 0.00 175.17 174.33 3hoy s VAL 1443N -2.56 1.53 -0.02 -1.27 1.01 -1.26 -5.13 120.40 112.70 3hoy s VAL 1443Ca 0.37 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3hoy s VAL 1443Cb 0.02 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3hoy s VAL 1443CO 0.20 0.45 -0.06 -0.04 0.00 0.00 0.00 175.10 175.65 3hoy s MET 1444N 1.46 2.63 -0.33 2.72 -1.94 -1.26 -5.09 119.30 117.50 3hoy s MET 1444Ca 0.04 -0.66 -0.20 0.00 -1.71 0.00 0.00 55.69 53.17 3hoy s MET 1444Cb -0.13 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.16 3hoy s MET 1444CO -0.10 0.62 0.60 0.42 -0.01 0.00 0.00 175.02 176.56 3hoy s ILE 1445N -0.94 4.94 -0.51 2.53 1.09 -1.26 -5.00 121.20 122.06 3hoy s ILE 1445Ca 0.16 0.68 -0.23 0.00 -1.10 0.00 0.00 60.65 60.15 3hoy s ILE 1445Cb -0.11 -4.01 0.04 0.00 -1.06 0.00 0.00 42.46 37.32 3hoy s ILE 1445CO 0.06 -0.19 0.86 -0.62 -0.10 0.00 0.00 174.94 174.94 3hoy s ASP 1446N 1.71 6.37 0.42 3.58 3.68 -1.26 -4.89 116.67 126.27 3hoy s ASP 1446Ca 0.23 -0.28 0.09 0.00 2.13 0.00 0.00 52.55 54.73 3hoy s ASP 1446Cb -0.15 -2.41 0.91 0.00 -1.45 0.00 0.00 42.92 39.82 3hoy s ASP 1446CO 0.13 -1.08 2.04 -0.08 0.13 0.00 0.00 175.17 176.31 3hoy h GLU 1447N 9.15 0.50 0.09 4.34 4.22 -1.97 -1.98 114.58 128.94 3hoy h GLU 1447Ca -0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 3hoy h GLU 1447Cb 1.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3hoy h GLU 1447CO 1.03 0.33 -0.04 0.93 -2.18 0.00 0.00 179.01 179.08 3hoy h GLU 1448N 0.51 -0.12 0.00 1.92 5.08 -2.02 -2.47 114.58 117.49 3hoy h GLU 1448Ca 0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3hoy h GLU 1448Cb 0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hoy h GLU 1448CO -0.04 -0.08 0.30 0.66 -1.00 0.00 0.00 179.01 178.85 3hoy h SER 1449N -0.12 0.00 0.00 1.42 4.64 -1.96 0.27 113.55 117.79 3hoy h SER 1449Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hoy h SER 1449Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hoy h SER 1449CO 0.02 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.87 3hoy n LEU 1450N -2.12 0.00 0.00 5.97 7.94 -0.75 -3.12 117.00 124.91 3hoy n LEU 1450Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3hoy n LEU 1450Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 3hoy n LEU 1450CO 0.06 0.00 -0.33 0.52 -1.11 0.00 0.00 177.39 176.53 3hoy n VAL 1451N -0.67 0.00 -0.27 1.96 0.31 0.93 -4.58 118.33 116.02 3hoy n VAL 1451Ca 0.08 0.00 0.25 0.00 -0.01 0.00 0.00 64.34 64.66 3hoy n VAL 1451Cb 0.03 -0.51 0.60 0.00 -0.91 0.00 0.00 33.84 33.06 3hoy n VAL 1451CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3hoy h LYS 1452N 0.00 0.23 -4.87 5.55 1.79 -1.48 -3.30 116.57 114.49 3hoy h LYS 1452Ca 0.00 -0.01 -0.69 0.00 -2.18 0.00 0.00 60.65 57.77 3hoy h LYS 1452Cb 0.56 -0.05 -0.19 0.00 -1.58 0.00 0.00 32.23 30.97 3hoy h LYS 1452CO 0.00 0.15 0.05 0.71 -1.08 0.00 0.00 179.45 179.29 3hoy s TYR 1453N -5.26 3.04 0.00 -1.35 4.12 -1.22 -4.94 117.35 111.74 3hoy s TYR 1453Ca -0.07 -0.66 0.00 0.00 0.02 0.00 0.00 57.07 56.36 3hoy s TYR 1453Cb 0.23 -3.65 0.00 0.00 -1.52 0.00 0.00 41.96 37.02 3hoy s TYR 1453CO 0.79 -1.09 0.00 0.00 0.02 0.00 0.00 175.55 175.26 3hoy n MET 1454N 6.19 0.00 0.00 -0.62 0.00 -1.24 -4.96 117.12 116.48 3hoy n MET 1454Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 57.70 57.76 3hoy n MET 1454Cb 0.45 0.00 0.82 0.00 0.00 0.00 0.00 33.22 34.48 3hoy n MET 1454CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62