#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i50 n GLY 3 N 0.00 -0.38 0.00 7.55 0.00 -1.26 -4.53 105.19 106.57 1i50 n GLY 3 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1i50 n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i50 n GLN 4 N -4.39 0.00 -3.78 1.61 6.02 -1.26 -4.58 117.38 111.00 1i50 n GLN 4 Ca -0.21 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.53 1i50 n GLN 4 Cb 0.64 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.90 1i50 n GLN 4 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1i50 s GLN 5 N 0.00 2.25 0.08 -1.09 0.74 -1.26 -5.14 119.66 115.23 1i50 s GLN 5 Ca 0.00 -2.00 0.09 0.00 0.05 0.00 0.00 55.36 53.50 1i50 s GLN 5 Cb 0.00 -2.16 -0.03 0.00 1.10 0.00 0.00 33.01 31.91 1i50 s GLN 5 CO 0.00 -0.69 -0.24 -0.47 -0.55 0.00 0.00 175.29 173.34 1i50 s TYR 6 N -2.78 2.05 -0.10 1.67 5.04 -1.26 -5.05 117.35 116.93 1i50 s TYR 6 Ca 0.37 -0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 54.57 1i50 s TYR 6 Cb -0.03 -1.17 0.05 0.00 0.35 0.00 0.00 41.96 41.16 1i50 s TYR 6 CO 0.23 0.19 0.19 -1.54 -1.34 0.00 0.00 175.55 173.28 1i50 s SER 7 N -1.58 0.67 0.00 4.32 1.04 -1.26 -5.01 113.70 111.88 1i50 s SER 7 Ca 0.10 0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.94 1i50 s SER 7 Cb -0.10 0.39 0.19 0.00 0.10 0.00 0.00 66.02 66.60 1i50 s SER 7 CO 0.03 -0.25 0.56 -1.54 0.98 0.00 0.00 173.24 173.02 1i50 n SER 8 N 5.33 0.00 -4.68 7.02 3.41 -1.26 -4.68 113.62 118.76 1i50 n SER 8 Ca -0.05 -0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 57.94 1i50 n SER 8 Cb 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1i50 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i50 s ALA 9 N -2.00 3.53 -0.05 7.33 0.00 -1.26 -4.97 121.76 124.33 1i50 s ALA 9 Ca 0.05 0.41 -0.33 0.00 0.00 0.00 0.00 51.96 52.08 1i50 s ALA 9 Cb 0.02 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 1i50 s ALA 9 CO 0.04 -0.83 1.89 -0.35 0.00 0.00 0.00 175.76 176.51 1i50 n PRO 10 N 5.58 2.32 -2.06 0.00 -0.04 -1.26 -4.94 135.00 134.59 1i50 n PRO 10 Ca 0.11 0.85 -0.41 0.00 -0.04 0.00 0.00 63.50 64.00 1i50 n PRO 10 Cb 0.47 -2.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 1i50 n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1i50 s LEU 11 N 4.00 4.40 0.35 1.53 2.96 -1.26 -5.02 118.68 125.63 1i50 s LEU 11 Ca 0.91 2.64 -0.07 0.00 -0.22 0.00 0.00 54.13 57.39 1i50 s LEU 11 Cb -0.64 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.44 1i50 s LEU 11 CO 0.49 -0.64 0.56 -0.13 -1.32 0.00 0.00 176.35 175.31 1i50 s ARG 12 N -0.67 1.97 0.07 1.98 0.52 -1.26 -5.17 118.95 116.39 1i50 s ARG 12 Ca 0.57 -1.64 0.09 0.00 -0.52 0.00 0.00 55.73 54.22 1i50 s ARG 12 Cb -0.41 0.49 -0.03 0.00 0.52 0.00 0.00 34.95 35.53 1i50 s ARG 12 CO 0.45 -0.85 -0.24 0.95 0.02 0.00 0.00 175.30 175.63 1i50 s THR 13 N -2.93 1.95 0.02 0.02 -4.23 -1.26 -5.10 115.64 104.11 1i50 s THR 13 Ca 0.26 -1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 59.05 1i50 s THR 13 Cb -0.02 -1.70 -0.06 0.00 1.34 0.00 0.00 72.50 72.06 1i50 s THR 13 CO 0.17 0.21 1.51 -0.69 -0.54 0.00 0.00 174.62 175.27 1i50 s VAL 14 N -0.90 3.46 -0.15 2.29 1.01 -1.26 -4.89 120.40 119.96 1i50 s VAL 14 Ca 0.10 0.85 0.13 0.00 0.00 0.00 0.00 61.98 63.07 1i50 s VAL 14 Cb -0.10 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.55 1i50 s VAL 14 CO 0.03 -0.01 0.05 0.29 0.00 0.00 0.00 175.10 175.46 1i50 n LYS 15 N 5.56 1.47 -3.90 2.72 4.76 -1.26 -5.02 118.16 122.49 1i50 n LYS 15 Ca 0.14 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 1i50 n LYS 15 Cb 0.42 -1.39 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 1i50 n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1i50 s GLU 16 N -2.37 0.44 -0.17 1.97 2.02 -1.26 -4.08 118.70 115.24 1i50 s GLU 16 Ca -0.08 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1i50 s GLU 16 Cb 0.05 0.18 0.04 0.00 0.10 0.00 0.00 34.13 34.49 1i50 s GLU 16 CO 0.63 -0.10 -0.08 0.08 0.02 0.00 0.00 175.26 175.81 1i50 s VAL 17 N -1.41 1.33 -0.44 2.63 1.01 -0.52 -4.99 120.40 118.03 1i50 s VAL 17 Ca -0.15 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1i50 s VAL 17 Cb -0.08 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1i50 s VAL 17 CO 0.01 0.19 0.40 -1.58 0.00 0.00 0.00 175.10 174.11 1i50 s GLN 18 N 1.54 3.03 0.65 2.72 2.00 -1.26 -0.40 119.66 127.94 1i50 s GLN 18 Ca 0.01 -0.98 -0.10 0.00 -2.00 0.00 0.00 55.36 52.28 1i50 s GLN 18 Cb -0.15 -4.02 -0.00 0.00 0.80 0.00 0.00 33.01 29.64 1i50 s GLN 18 CO -0.08 -0.88 1.03 -0.06 -0.50 0.00 0.00 175.29 174.79 1i50 s PHE 19 N 1.92 3.40 -2.17 1.67 0.40 -0.45 -5.01 117.98 117.74 1i50 s PHE 19 Ca 0.08 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 1i50 s PHE 19 Cb -0.19 -2.89 0.00 0.00 0.51 0.00 0.00 43.02 40.45 1i50 s PHE 19 CO 0.11 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.48 1i50 n GLY 20 N -2.83 -1.76 3.79 4.36 0.00 -1.24 -4.09 105.19 103.41 1i50 n GLY 20 Ca 0.06 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 1i50 n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 21 N 0.00 3.93 -0.30 0.99 1.43 0.72 -4.67 118.68 120.79 1i50 s LEU 21 Ca 0.00 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 1i50 s LEU 21 Cb 0.00 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1i50 s LEU 21 CO 0.00 0.27 0.96 -0.36 0.23 0.00 0.00 176.35 177.45 1i50 s PHE 22 N -1.20 3.21 0.49 0.29 2.99 -1.26 -4.68 117.98 117.81 1i50 s PHE 22 Ca 0.23 1.11 -0.15 0.00 0.00 0.00 0.00 56.93 58.12 1i50 s PHE 22 Cb -0.12 -3.43 -0.07 0.00 0.00 0.00 0.00 43.02 39.40 1i50 s PHE 22 CO 0.14 -0.63 0.93 -1.54 -0.00 0.00 0.00 175.22 174.12 1i50 s SER 23 N 1.55 6.57 0.33 1.36 1.04 -1.26 -4.90 113.70 118.39 1i50 s SER 23 Ca 0.40 1.44 0.04 0.00 0.48 0.00 0.00 55.95 58.32 1i50 s SER 23 Cb -0.13 -2.46 0.67 0.00 0.10 0.00 0.00 66.02 64.20 1i50 s SER 23 CO 0.12 -0.56 1.90 1.55 0.98 0.00 0.00 173.24 177.24 1i50 h PRO 24 N 0.92 0.84 0.46 4.02 0.13 -1.94 -1.26 132.00 135.18 1i50 h PRO 24 Ca -0.47 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1i50 h PRO 24 Cb 1.19 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1i50 h PRO 24 CO 0.62 0.55 -0.22 0.93 -0.23 0.00 0.00 178.00 179.65 1i50 h GLU 25 N 0.86 -0.60 -0.58 0.86 3.07 -1.96 -2.73 114.58 113.50 1i50 h GLU 25 Ca 0.40 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 1i50 h GLU 25 Cb 0.39 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1i50 h GLU 25 CO -0.16 -0.40 0.32 1.49 -1.40 0.00 0.00 179.01 178.85 1i50 h GLU 26 N -0.62 0.80 -0.67 2.33 4.81 -1.85 0.15 114.58 119.54 1i50 h GLU 26 Ca -0.06 -0.09 0.19 0.00 -0.13 0.00 0.00 59.36 59.27 1i50 h GLU 26 Cb 0.48 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1i50 h GLU 26 CO 0.10 0.61 0.52 0.28 -0.73 0.00 0.00 179.01 179.80 1i50 h VAL 27 N 0.78 0.56 0.00 0.32 2.07 -1.17 -1.53 116.25 117.28 1i50 h VAL 27 Ca 0.20 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.61 1i50 h VAL 27 Cb 0.05 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1i50 h VAL 27 CO -0.03 0.00 -0.66 0.03 0.02 0.00 0.00 177.57 176.93 1i50 h ARG 28 N 0.00 0.00 -1.13 1.57 3.08 -0.91 -3.13 114.38 113.85 1i50 h ARG 28 Ca 0.32 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.72 1i50 h ARG 28 Cb 1.35 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.27 1i50 h ARG 28 CO -0.00 0.85 0.70 0.00 -1.07 0.00 0.00 179.97 180.45 1i50 h ALA 29 N -0.39 2.32 0.00 0.04 0.00 0.20 -1.47 119.26 119.96 1i50 h ALA 29 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i50 h ALA 29 Cb 1.04 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i50 h ALA 29 CO -0.10 -0.89 -1.73 0.44 0.00 0.00 0.00 179.25 176.96 1i50 n ILE 30 N -4.83 0.08 -0.81 0.00 -5.35 -0.73 -4.98 119.36 102.75 1i50 n ILE 30 Ca 0.32 -0.44 -0.31 0.00 -0.27 0.00 0.00 62.75 62.05 1i50 n ILE 30 Cb 1.14 0.07 0.15 0.00 -1.74 0.00 0.00 39.64 39.26 1i50 n ILE 30 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1i50 s SER 31 N -4.44 3.13 -0.17 7.28 1.04 -0.56 -4.83 113.70 115.15 1i50 s SER 31 Ca -0.05 2.21 -0.13 0.00 0.48 0.00 0.00 55.95 58.46 1i50 s SER 31 Cb 0.14 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 1i50 s SER 31 CO 0.89 -2.97 -0.28 1.33 0.98 0.00 0.00 173.24 173.18 1i50 n VAL 32 N -4.01 1.34 -3.19 5.02 0.24 -0.71 -4.98 118.33 112.04 1i50 n VAL 32 Ca 0.12 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 1i50 n VAL 32 Cb 0.52 -2.00 0.05 0.00 -1.47 0.00 0.00 33.84 30.94 1i50 n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i50 s ALA 33 N -2.57 4.68 -0.10 2.33 0.00 -1.26 -4.91 121.76 119.93 1i50 s ALA 33 Ca -0.27 -2.00 0.03 0.00 0.00 0.00 0.00 51.96 49.72 1i50 s ALA 33 Cb 0.08 -1.32 -0.08 0.00 0.00 0.00 0.00 23.12 21.79 1i50 s ALA 33 CO 0.37 -0.81 -0.06 1.17 0.00 0.00 0.00 175.76 176.43 1i50 n LYS 34 N -2.18 1.04 -1.96 0.00 4.81 -1.26 -2.68 118.16 115.94 1i50 n LYS 34 Ca 0.13 0.04 -0.02 0.00 -0.87 0.00 0.00 58.31 57.59 1i50 n LYS 34 Cb 0.62 -1.22 -0.02 0.00 0.02 0.00 0.00 35.03 34.43 1i50 n LYS 34 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1i50 n ILE 35 N -2.66 -8.51 0.00 3.15 5.41 -1.25 -2.99 119.36 112.51 1i50 n ILE 35 Ca -0.18 1.66 0.00 0.00 1.00 0.00 0.00 62.75 65.23 1i50 n ILE 35 Cb 0.73 -5.02 0.00 0.00 -0.71 0.00 0.00 39.64 34.65 1i50 n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1i50 n ARG 36 N 0.98 0.00 -1.67 0.38 1.74 -1.25 -4.76 116.66 112.08 1i50 n ARG 36 Ca -0.14 0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 56.41 1i50 n ARG 36 Cb 0.22 -0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.60 1i50 n ARG 36 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1i50 n PHE 37 N -1.76 2.03 1.86 -1.55 0.99 -1.26 -4.83 117.46 112.93 1i50 n PHE 37 Ca 0.00 0.40 0.11 0.00 -0.00 0.00 0.00 57.45 57.96 1i50 n PHE 37 Cb 0.00 -2.49 0.63 0.00 -1.00 0.00 0.00 39.48 36.62 1i50 n PHE 37 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1i50 n PRO 38 N 4.88 0.93 -3.68 -1.08 -0.04 -1.26 -3.90 135.00 130.84 1i50 n PRO 38 Ca 0.23 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.45 1i50 n PRO 38 Cb 0.20 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1i50 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1i50 s GLU 39 N -2.00 2.31 -0.24 0.54 2.02 -1.26 -4.73 118.70 115.34 1i50 s GLU 39 Ca 0.32 -1.87 -0.19 0.00 0.02 0.00 0.00 54.97 53.24 1i50 s GLU 39 Cb 0.15 -2.24 0.06 0.00 0.10 0.00 0.00 34.13 32.20 1i50 s GLU 39 CO 0.25 -0.59 0.62 0.99 0.02 0.00 0.00 175.26 176.55 1i50 s THR 40 N -2.70 -0.00 0.16 3.63 2.01 -1.26 -3.97 115.64 113.50 1i50 s THR 40 Ca 0.41 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1i50 s THR 40 Cb -0.03 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1i50 s THR 40 CO 0.25 0.00 0.00 0.23 -0.69 0.00 0.00 174.62 174.42 1i50 n MET 41 N 3.17 -1.47 -1.28 4.92 2.81 -1.26 -4.95 117.12 119.07 1i50 n MET 41 Ca -0.16 1.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.82 1i50 n MET 41 Cb 0.56 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1i50 n MET 41 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1i50 n ASP 42 N -0.82 -1.70 -4.07 7.83 8.00 -1.25 -4.90 116.55 119.65 1i50 n ASP 42 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1i50 n ASP 42 Cb 0.00 -0.85 -0.07 0.00 -0.02 0.00 0.00 41.12 40.18 1i50 n ASP 42 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1i50 s GLU 43 N -0.70 3.14 -0.06 -1.24 2.02 -0.83 -4.43 118.70 116.61 1i50 s GLU 43 Ca 0.00 -3.31 -0.00 0.00 0.02 0.00 0.00 54.97 51.68 1i50 s GLU 43 Cb 0.00 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1i50 s GLU 43 CO 0.00 -1.27 0.05 2.41 0.02 0.00 0.00 175.26 176.47 1i50 n THR 44 N 2.24 -0.16 0.00 3.63 -1.04 -1.26 -3.80 114.28 113.89 1i50 n THR 44 Ca 0.21 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1i50 n THR 44 Cb 0.37 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1i50 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 n GLN 45 N -0.80 0.00 -1.52 -2.82 6.02 -1.26 -4.96 117.38 112.04 1i50 n GLN 45 Ca -0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1i50 n GLN 45 Cb 0.50 0.00 -0.18 0.00 1.02 0.00 0.00 30.24 31.59 1i50 n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1i50 n THR 46 N 0.00 -0.00 -0.58 5.09 -1.04 -1.25 -4.49 114.28 112.01 1i50 n THR 46 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.21 1i50 n THR 46 Cb 0.00 -0.65 0.21 0.00 -1.82 0.00 0.00 70.33 68.07 1i50 n THR 46 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1i50 n ARG 47 N 6.59 -2.02 0.00 -2.82 1.74 -1.26 -1.97 116.66 116.93 1i50 n ARG 47 Ca 0.61 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1i50 n ARG 47 Cb 0.23 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 1i50 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i50 n ALA 48 N -4.69 0.00 -3.39 7.54 0.00 -1.26 -4.66 120.51 114.06 1i50 n ALA 48 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1i50 n ALA 48 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1i50 n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i50 s LYS 49 N 0.00 1.33 0.22 0.00 1.02 -1.26 -4.35 119.74 116.70 1i50 s LYS 49 Ca 0.00 -0.66 0.11 0.00 0.02 0.00 0.00 55.97 55.44 1i50 s LYS 49 Cb 0.00 0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 37.82 1i50 s LYS 49 CO 0.00 -0.58 -0.22 0.42 -0.92 0.00 0.00 175.35 174.06 1i50 s ILE 50 N -3.81 2.46 -1.82 2.17 1.01 -1.26 -4.71 121.20 115.24 1i50 s ILE 50 Ca 0.04 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.58 1i50 s ILE 50 Cb -0.01 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1i50 s ILE 50 CO -0.08 -0.20 0.29 0.61 0.00 0.00 0.00 174.94 175.56 1i50 n GLY 51 N -0.01 -0.18 0.08 6.18 0.00 -1.26 -3.21 105.19 106.80 1i50 n GLY 51 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1i50 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i50 n GLY 52 N -0.09 -0.69 3.11 -0.02 0.00 -1.26 -4.29 105.19 101.95 1i50 n GLY 52 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1i50 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 53 N -8.02 2.42 -1.80 0.99 1.43 -1.20 -3.82 118.68 108.69 1i50 s LEU 53 Ca -0.24 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1i50 s LEU 53 Cb 0.03 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.24 1i50 s LEU 53 CO 0.36 -0.42 0.00 0.59 0.23 0.00 0.00 176.35 177.11 1i50 n ASN 54 N 0.49 -5.84 0.00 2.29 4.13 -1.26 -4.16 115.26 110.91 1i50 n ASN 54 Ca -0.16 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1i50 n ASN 54 Cb 0.59 -4.88 0.00 0.00 -1.54 0.00 0.00 39.78 33.95 1i50 n ASN 54 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1i50 n ASP 55 N -1.96 0.00 -0.05 6.41 2.03 -1.26 -4.90 116.55 116.82 1i50 n ASP 55 Ca -0.24 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.12 1i50 n ASP 55 Cb 0.69 0.14 0.09 0.00 -0.72 0.00 0.00 41.12 41.31 1i50 n ASP 55 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1i50 n PRO 56 N -1.90 0.00 0.00 -0.67 -0.04 -1.26 -3.35 135.00 127.78 1i50 n PRO 56 Ca 0.00 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1i50 n PRO 56 Cb 0.00 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1i50 n PRO 56 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1i50 n ARG 57 N -1.74 0.00 -0.78 0.54 1.74 -1.26 -4.80 116.66 110.37 1i50 n ARG 57 Ca 0.05 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.78 1i50 n ARG 57 Cb 0.28 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.84 1i50 n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1i50 n LEU 58 N -0.30 -2.44 -4.16 0.55 4.77 -1.21 -4.39 117.00 109.81 1i50 n LEU 58 Ca 0.00 -0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.61 1i50 n LEU 58 Cb 0.00 -0.87 0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1i50 n LEU 58 CO 0.00 -3.18 -0.89 0.61 -1.33 0.00 0.00 177.39 172.60 1i50 n GLY 59 N 2.39 -3.57 3.54 -0.72 0.00 -1.26 -4.62 105.19 100.94 1i50 n GLY 59 Ca 0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 1i50 n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i50 n SER 60 N 1.59 3.23 0.00 1.61 3.41 -1.26 -4.57 113.62 117.63 1i50 n SER 60 Ca 0.01 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 1i50 n SER 60 Cb 0.56 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1i50 n SER 60 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1i50 n ILE 61 N -1.32 0.00 -2.05 -1.33 5.41 -1.26 -4.74 119.36 114.07 1i50 n ILE 61 Ca -0.17 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.42 1i50 n ILE 61 Cb 0.62 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.52 1i50 n ILE 61 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1i50 n ASP 62 N 0.00 -4.62 -1.63 4.38 8.00 -1.26 -1.26 116.55 120.15 1i50 n ASP 62 Ca 0.00 0.22 -0.17 0.00 0.71 0.00 0.00 54.79 55.55 1i50 n ASP 62 Cb 0.00 -4.00 -0.06 0.00 -0.02 0.00 0.00 41.12 37.04 1i50 n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i50 n ARG 63 N -2.58 -1.45 -2.97 -1.24 1.74 -1.26 -4.91 116.66 103.98 1i50 n ARG 63 Ca -0.18 0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 57.47 1i50 n ARG 63 Cb 0.60 -5.35 -0.05 0.00 -1.02 0.00 0.00 32.46 26.65 1i50 n ARG 63 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1i50 s ASN 64 N -2.39 6.75 0.38 0.55 0.01 -0.39 -4.93 114.94 114.91 1i50 s ASN 64 Ca 0.00 0.92 0.07 0.00 -0.71 0.00 0.00 52.86 53.14 1i50 s ASN 64 Cb 0.00 -2.40 0.74 0.00 0.41 0.00 0.00 41.25 40.00 1i50 s ASN 64 CO 0.00 -0.45 1.94 -0.07 -1.51 0.00 0.00 177.10 177.01 1i50 h LEU 65 N 9.02 0.39 -9.28 0.60 3.38 -1.88 -3.43 115.31 114.10 1i50 h LEU 65 Ca -0.25 -0.06 -0.67 0.00 0.09 0.00 0.00 57.88 56.99 1i50 h LEU 65 Cb 1.11 -0.10 0.06 0.00 0.09 0.00 0.00 40.66 41.82 1i50 h LEU 65 CO 0.83 0.44 0.40 0.29 0.09 0.00 0.00 178.44 180.49 1i50 n LYS 66 N -4.34 1.14 -2.66 1.13 5.02 -1.26 -3.52 118.16 113.67 1i50 n LYS 66 Ca 0.01 0.41 -0.03 0.00 -2.02 0.00 0.00 58.31 56.68 1i50 n LYS 66 Cb 0.20 -2.01 0.11 0.00 -0.02 0.00 0.00 35.03 33.30 1i50 n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i50 n GLN 68 N 0.73 -0.50 -0.05 0.00 6.02 -1.26 -2.79 117.38 119.53 1i50 n GLN 68 Ca -0.05 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1i50 n GLN 68 Cb 0.75 -4.25 0.00 0.00 1.02 0.00 0.00 30.24 27.76 1i50 n GLN 68 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1i50 n THR 69 N -3.72 0.00 0.86 5.09 -1.04 -1.26 -4.80 114.28 109.42 1i50 n THR 69 Ca -0.07 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.04 1i50 n THR 69 Cb 0.47 -0.00 0.48 0.00 -1.82 0.00 0.00 70.33 69.46 1i50 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 n GLN 71 N -1.37 0.00 0.00 0.00 6.02 -1.23 -4.83 117.38 115.97 1i50 n GLN 71 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1i50 n GLN 71 Cb 0.19 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.45 1i50 n GLN 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1i50 n GLU 72 N 14.00 0.00 0.00 -1.09 1.02 -1.25 -4.68 120.64 128.64 1i50 n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1i50 n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1i50 n GLU 72 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 73 N 0.00 0.40 0.00 0.62 0.00 -1.26 -4.60 105.19 100.34 1i50 n GLY 73 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1i50 n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1i50 n MET 74 N -1.10 0.00 0.00 1.61 2.81 -1.26 -0.84 117.12 118.34 1i50 n MET 74 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1i50 n MET 74 Cb 0.00 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1i50 n MET 74 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1i50 n ASN 75 N -0.51 2.67 -0.01 7.83 3.02 -1.26 -4.81 115.26 122.19 1i50 n ASN 75 Ca 0.00 -0.05 0.01 0.00 -0.03 0.00 0.00 54.58 54.51 1i50 n ASN 75 Cb 0.00 0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 39.75 1i50 n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i50 n GLU 76 N -0.90 1.19 -2.60 3.52 4.71 -0.50 -4.99 120.64 121.07 1i50 n GLU 76 Ca 0.00 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.16 56.68 1i50 n GLU 76 Cb 0.00 -1.17 -0.02 0.00 -1.01 0.00 0.00 31.44 29.24 1i50 n GLU 76 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i50 n PRO 78 N 6.35 3.42 0.00 0.00 -0.04 -1.26 -4.90 135.00 138.56 1i50 n PRO 78 Ca 0.12 -3.80 0.00 0.00 -0.04 0.00 0.00 63.50 59.78 1i50 n PRO 78 Cb 0.46 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1i50 n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i50 n GLY 79 N 3.84 0.00 3.81 0.55 0.00 -1.26 -4.88 105.19 107.25 1i50 n GLY 79 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 1i50 n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i50 s HIS 80 N 0.00 3.61 0.37 1.61 3.76 -1.26 -4.83 115.29 118.55 1i50 s HIS 80 Ca 0.00 0.74 -0.25 0.00 -0.15 0.00 0.00 55.06 55.40 1i50 s HIS 80 Cb 0.00 -2.21 -0.09 0.00 1.11 0.00 0.00 32.58 31.38 1i50 s HIS 80 CO 0.00 0.54 1.05 -0.06 -0.85 0.00 0.00 174.74 175.41 1i50 s PHE 81 N -0.55 3.37 0.59 1.40 0.40 -1.26 -3.98 117.98 117.94 1i50 s PHE 81 Ca 0.19 1.67 0.04 0.00 -0.60 0.00 0.00 56.93 58.23 1i50 s PHE 81 Cb -0.14 -3.14 0.07 0.00 0.51 0.00 0.00 43.02 40.32 1i50 s PHE 81 CO 0.08 -0.53 0.82 0.20 0.70 0.00 0.00 175.22 176.48 1i50 s GLY 82 N -1.43 1.80 0.20 4.36 0.00 0.79 -1.74 107.32 111.30 1i50 s GLY 82 Ca 0.54 -1.71 0.08 0.00 0.00 0.00 0.00 44.72 43.63 1i50 s GLY 82 CO 0.30 -1.31 -0.14 -1.58 0.00 0.00 0.00 173.10 170.37 1i50 s HIS 83 N -2.80 1.70 -0.30 1.90 2.46 -1.09 -2.46 115.29 114.70 1i50 s HIS 83 Ca 0.61 -0.58 -0.15 0.00 0.47 0.00 0.00 55.06 55.40 1i50 s HIS 83 Cb -0.08 -0.80 0.19 0.00 -0.13 0.00 0.00 32.58 31.76 1i50 s HIS 83 CO 0.40 0.34 1.18 -1.50 -2.47 0.00 0.00 174.74 172.69 1i50 s ILE 84 N -2.99 -0.00 0.48 0.89 2.07 -1.16 -3.87 121.20 116.62 1i50 s ILE 84 Ca 0.22 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.23 1i50 s ILE 84 Cb -0.00 -0.00 -0.07 0.00 0.13 0.00 0.00 42.46 42.51 1i50 s ILE 84 CO 0.07 0.00 1.34 -1.81 -1.91 0.00 0.00 174.94 172.63 1i50 s ASP 85 N 2.48 5.78 -0.18 4.50 1.01 -1.26 -3.03 116.67 125.97 1i50 s ASP 85 Ca 0.24 2.73 -0.07 0.00 0.71 0.00 0.00 52.55 56.16 1i50 s ASP 85 Cb 0.03 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1i50 s ASP 85 CO -0.19 -1.22 0.05 -0.76 0.21 0.00 0.00 175.17 173.25 1i50 s LEU 86 N -2.99 3.69 0.25 1.23 1.43 -0.73 -4.95 118.68 116.61 1i50 s LEU 86 Ca 0.64 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1i50 s LEU 86 Cb -0.39 -1.93 0.47 0.00 0.03 0.00 0.00 46.19 44.37 1i50 s LEU 86 CO 0.49 0.15 1.72 0.00 0.23 0.00 0.00 176.35 178.94 1i50 h ALA 87 N 6.83 1.05 -2.76 4.21 0.00 -1.88 -3.42 119.26 123.29 1i50 h ALA 87 Ca -0.36 0.13 -0.42 0.00 0.00 0.00 0.00 54.91 54.26 1i50 h ALA 87 Cb 1.17 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 1i50 h ALA 87 CO 0.68 -0.26 -0.75 0.15 0.00 0.00 0.00 179.25 179.07 1i50 s LYS 88 N -6.02 1.09 0.62 0.00 -0.14 -1.26 -5.06 119.74 108.98 1i50 s LYS 88 Ca -0.12 -1.32 -0.15 0.00 -1.36 0.00 0.00 55.97 53.01 1i50 s LYS 88 Cb 0.21 -0.95 -0.02 0.00 -1.68 0.00 0.00 37.83 35.39 1i50 s LYS 88 CO 0.76 0.18 1.08 -1.25 -0.76 0.00 0.00 175.35 175.35 1i50 s PRO 89 N -2.90 3.11 0.02 -1.68 0.04 -1.26 -4.87 135.00 127.46 1i50 s PRO 89 Ca 0.12 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 1i50 s PRO 89 Cb -0.04 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 1i50 s PRO 89 CO 0.04 -0.98 0.12 0.08 0.04 0.00 0.00 177.00 176.30 1i50 s VAL 90 N -2.45 0.11 0.38 -0.36 1.01 -0.28 -4.85 120.40 113.96 1i50 s VAL 90 Ca 0.64 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1i50 s VAL 90 Cb -0.17 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 1i50 s VAL 90 CO 0.40 -0.49 1.06 -0.36 0.00 0.00 0.00 175.10 175.70 1i50 s PHE 91 N -2.08 3.30 -0.23 5.22 0.08 -1.26 0.05 117.98 123.05 1i50 s PHE 91 Ca -0.09 1.65 -0.20 0.00 0.12 0.00 0.00 56.93 58.41 1i50 s PHE 91 Cb -0.04 -3.16 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1i50 s PHE 91 CO -0.02 -0.65 0.59 -1.58 -0.10 0.00 0.00 175.22 173.46 1i50 s HIS 92 N -1.57 3.32 0.23 0.36 5.65 -1.17 -4.75 115.29 117.36 1i50 s HIS 92 Ca 0.56 0.80 -0.08 0.00 0.25 0.00 0.00 55.06 56.59 1i50 s HIS 92 Cb -0.24 -2.78 0.36 0.00 -1.18 0.00 0.00 32.58 28.74 1i50 s HIS 92 CO 0.30 -0.25 1.31 1.33 -0.65 0.00 0.00 174.74 176.78 1i50 n VAL 93 N 4.97 -0.36 0.25 0.89 0.24 -1.26 -0.54 118.33 122.51 1i50 n VAL 93 Ca -0.02 1.92 0.15 0.00 -2.04 0.00 0.00 64.34 64.35 1i50 n VAL 93 Cb 0.49 -2.65 0.78 0.00 -1.47 0.00 0.00 33.84 31.00 1i50 n VAL 93 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1i50 h GLY 94 N 0.00 0.00 -0.49 7.63 0.00 -1.94 -3.15 103.07 105.12 1i50 h GLY 94 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1i50 h GLY 94 CO -0.86 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.37 1i50 n PHE 95 N -2.55 0.08 -0.32 5.60 3.01 0.30 -4.67 117.46 118.90 1i50 n PHE 95 Ca -0.01 -0.18 0.11 0.00 1.01 0.00 0.00 57.45 58.38 1i50 n PHE 95 Cb 0.08 -0.01 0.28 0.00 -0.01 0.00 0.00 39.48 39.82 1i50 n PHE 95 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1i50 h ILE 96 N 1.01 0.66 -0.21 4.37 2.04 -1.51 0.62 117.51 124.50 1i50 h ILE 96 Ca 0.00 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1i50 h ILE 96 Cb 0.36 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1i50 h ILE 96 CO 0.00 0.11 0.13 0.00 0.00 0.00 0.00 178.15 178.39 1i50 h ALA 97 N 1.62 0.26 0.47 1.87 0.00 -1.84 -1.31 119.26 120.34 1i50 h ALA 97 Ca 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1i50 h ALA 97 Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1i50 h ALA 97 CO -0.41 -0.27 -0.23 0.87 0.00 0.00 0.00 179.25 179.21 1i50 h LYS 98 N 0.27 -0.61 -0.83 0.00 1.79 -1.08 -2.70 116.57 113.40 1i50 h LYS 98 Ca 0.08 0.04 0.21 0.00 -2.18 0.00 0.00 60.65 58.80 1i50 h LYS 98 Cb -0.02 0.14 -0.13 0.00 -1.58 0.00 0.00 32.23 30.64 1i50 h LYS 98 CO -0.03 -0.37 0.18 0.82 -1.08 0.00 0.00 179.45 178.97 1i50 h ILE 99 N -0.71 0.35 0.50 1.86 2.04 0.23 0.82 117.51 122.61 1i50 h ILE 99 Ca -0.06 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1i50 h ILE 99 Cb 0.52 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1i50 h ILE 99 CO 0.11 0.04 -0.24 0.50 0.00 0.00 0.00 178.15 178.55 1i50 h LYS 100 N 0.20 -0.65 -0.90 2.37 3.64 -1.14 -2.04 116.57 118.04 1i50 h LYS 100 Ca 0.50 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 60.04 1i50 h LYS 100 Cb 0.96 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 1i50 h LYS 100 CO -0.63 -0.42 0.58 0.87 -2.27 0.00 0.00 179.45 177.57 1i50 h LYS 101 N -0.71 0.82 -0.67 1.90 1.57 -0.78 -0.33 116.57 118.38 1i50 h LYS 101 Ca -0.07 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1i50 h LYS 101 Cb 0.53 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1i50 h LYS 101 CO 0.11 0.54 0.09 0.28 -0.57 0.00 0.00 179.45 179.91 1i50 h VAL 102 N 0.85 1.26 0.00 0.50 2.07 -0.76 -2.14 116.25 118.03 1i50 h VAL 102 Ca 0.43 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1i50 h VAL 102 Cb 0.49 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1i50 h VAL 102 CO -0.19 0.40 -0.17 0.00 0.02 0.00 0.00 177.57 177.63 1i50 n GLU 104 N -3.88 0.86 -0.11 0.00 1.02 -0.62 -3.95 120.64 113.96 1i50 n GLU 104 Ca -0.02 -0.33 -0.17 0.00 -0.02 0.00 0.00 57.16 56.61 1i50 n GLU 104 Cb 0.26 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 1i50 n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i50 s VAL 106 N -2.43 5.15 0.15 0.00 0.11 -0.52 -1.41 120.40 121.44 1i50 s VAL 106 Ca -0.30 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 1i50 s VAL 106 Cb 0.09 -3.71 -0.08 0.00 -1.53 0.00 0.00 36.38 31.15 1i50 s VAL 106 CO 0.48 -0.16 1.24 0.00 -3.33 0.00 0.00 175.10 173.33 1i50 n MET 108 N 3.06 0.91 0.00 0.00 2.81 -1.26 -2.00 117.12 120.64 1i50 n MET 108 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1i50 n MET 108 Cb 0.44 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 1i50 n MET 108 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1i50 n HIS 109 N 0.54 0.00 0.00 2.03 -0.00 -1.26 -4.95 115.22 111.58 1i50 n HIS 109 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1i50 n HIS 109 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1i50 n HIS 109 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i50 n GLY 111 N 0.23 0.49 3.64 0.00 0.00 -0.85 -4.64 105.19 104.07 1i50 n GLY 111 Ca 0.00 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1i50 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i50 s LYS 112 N -3.30 4.03 0.09 1.61 2.20 -1.26 -4.30 119.74 118.82 1i50 s LYS 112 Ca 0.00 -0.29 -0.36 0.00 -0.36 0.00 0.00 55.97 54.95 1i50 s LYS 112 Cb 0.00 -3.48 -0.16 0.00 -1.51 0.00 0.00 37.83 32.68 1i50 s LYS 112 CO 0.00 0.08 1.37 1.28 -0.36 0.00 0.00 175.35 177.72 1i50 n LEU 113 N 4.20 1.81 0.06 5.43 4.77 -1.26 -1.57 117.00 130.44 1i50 n LEU 113 Ca -0.15 1.12 0.06 0.00 -0.03 0.00 0.00 56.01 57.00 1i50 n LEU 113 Cb 0.52 -1.22 0.27 0.00 -2.33 0.00 0.00 43.42 40.67 1i50 n LEU 113 CO 0.35 -0.96 0.67 0.18 -1.33 0.00 0.00 177.39 176.30 1i50 n LEU 114 N 2.62 0.24 -3.82 2.23 4.77 -0.50 -4.48 117.00 118.06 1i50 n LEU 114 Ca 0.18 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.58 1i50 n LEU 114 Cb 0.20 -0.62 -0.16 0.00 -2.33 0.00 0.00 43.42 40.51 1i50 n LEU 114 CO 0.62 -0.62 -0.38 -0.76 -1.33 0.00 0.00 177.39 174.92 1i50 s LEU 115 N -3.62 1.10 0.00 2.23 1.43 -1.26 -4.79 118.68 113.77 1i50 s LEU 115 Ca 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1i50 s LEU 115 Cb 0.04 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.99 1i50 s LEU 115 CO 0.13 -0.11 0.00 0.47 0.23 0.00 0.00 176.35 177.07 1i50 n ASP 116 N 4.25 0.00 -0.23 2.29 8.00 -1.26 -4.97 116.55 124.63 1i50 n ASP 116 Ca -0.24 -0.23 0.14 0.00 0.71 0.00 0.00 54.79 55.18 1i50 n ASP 116 Cb 0.50 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 42.22 1i50 n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1i50 n GLU 117 N -0.23 1.10 0.09 -1.24 1.02 -1.26 -3.47 120.64 116.65 1i50 n GLU 117 Ca 0.00 -0.47 -0.08 0.00 -0.02 0.00 0.00 57.16 56.59 1i50 n GLU 117 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 1i50 n GLU 117 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1i50 h HIS 118 N 1.14 0.21 -3.44 -0.32 3.86 -1.97 -3.44 115.15 111.18 1i50 h HIS 118 Ca 0.00 -0.12 -0.54 0.00 -1.16 0.00 0.00 60.37 58.55 1i50 h HIS 118 Cb 0.35 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1i50 h HIS 118 CO 0.00 0.96 0.24 1.21 0.86 0.00 0.00 177.93 181.21 1i50 s ASN 119 N -6.88 7.28 0.15 2.45 3.84 -1.23 -4.92 114.94 115.63 1i50 s ASN 119 Ca -0.02 1.53 -0.11 0.00 0.21 0.00 0.00 52.86 54.48 1i50 s ASN 119 Cb 0.10 -2.51 -0.02 0.00 -0.55 0.00 0.00 41.25 38.27 1i50 s ASN 119 CO 0.82 -0.09 1.52 -0.33 -2.79 0.00 0.00 177.10 176.22 1i50 h GLU 120 N 6.12 0.97 0.00 0.43 5.08 -1.90 -2.90 114.58 122.37 1i50 h GLU 120 Ca -0.42 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.48 1i50 h GLU 120 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1i50 h GLU 120 CO 0.73 1.12 0.00 -0.07 -1.00 0.00 0.00 179.01 179.79 1i50 h LEU 121 N 0.81 0.00 0.00 1.33 3.38 -1.96 -2.66 115.31 116.21 1i50 h LEU 121 Ca 0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 1i50 h LEU 121 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1i50 h LEU 121 CO 0.08 0.00 -1.05 -0.03 0.09 0.00 0.00 178.44 177.53 1i50 h MET 122 N 0.00 0.00 -0.41 1.13 4.05 -1.81 -3.16 114.93 114.73 1i50 h MET 122 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1i50 h MET 122 Cb 0.41 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1i50 h MET 122 CO 0.00 0.89 0.10 0.00 0.23 0.00 0.00 176.91 178.13 1i50 h ARG 123 N 0.00 0.65 -0.14 0.39 3.08 -1.29 0.15 114.38 117.22 1i50 h ARG 123 Ca -0.04 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.88 1i50 h ARG 123 Cb 1.76 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.70 1i50 h ARG 123 CO 0.12 0.67 -0.03 1.96 -1.07 0.00 0.00 179.97 181.62 1i50 h GLN 124 N 0.51 0.01 -0.26 0.04 4.20 -1.62 -1.44 115.11 116.56 1i50 h GLN 124 Ca 0.13 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1i50 h GLN 124 Cb 0.31 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1i50 h GLN 124 CO 0.00 0.01 0.12 0.00 -0.67 0.00 0.00 178.83 178.29 1i50 h ALA 125 N 1.13 0.31 -0.12 3.87 0.00 -1.47 -2.36 119.26 120.62 1i50 h ALA 125 Ca 0.07 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1i50 h ALA 125 Cb 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1i50 h ALA 125 CO -0.13 -0.28 0.11 -0.07 0.00 0.00 0.00 179.25 178.88 1i50 h LEU 126 N 0.26 0.00 -0.54 0.00 3.38 -0.26 -2.30 115.31 115.85 1i50 h LEU 126 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1i50 h LEU 126 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1i50 h LEU 126 CO -0.08 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 177.98 1i50 h ALA 127 N 1.89 0.83 -2.41 1.53 0.00 -0.71 -3.46 119.26 116.93 1i50 h ALA 127 Ca 0.06 -0.43 -0.58 0.00 0.00 0.00 0.00 54.91 53.96 1i50 h ALA 127 Cb 0.28 -0.07 0.14 0.00 0.00 0.00 0.00 17.79 18.13 1i50 h ALA 127 CO -0.00 0.59 0.05 -0.89 0.00 0.00 0.00 179.25 179.00 1i50 n ILE 128 N -3.41 2.50 0.22 0.00 5.41 -0.87 -4.92 119.36 118.29 1i50 n ILE 128 Ca 0.01 -0.50 0.09 0.00 1.00 0.00 0.00 62.75 63.35 1i50 n ILE 128 Cb 0.62 -1.04 0.17 0.00 -0.71 0.00 0.00 39.64 38.68 1i50 n ILE 128 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1i50 n LYS 129 N 0.06 2.21 -3.13 0.38 5.02 -1.26 -4.83 118.16 116.60 1i50 n LYS 129 Ca 0.10 -2.03 -0.44 0.00 -2.02 0.00 0.00 58.31 53.92 1i50 n LYS 129 Cb 0.41 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1i50 n LYS 129 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1i50 s ASP 130 N -1.26 6.19 0.45 4.39 -1.08 -1.26 -4.89 116.67 119.21 1i50 s ASP 130 Ca 0.31 -1.32 0.18 0.00 -0.52 0.00 0.00 52.55 51.20 1i50 s ASP 130 Cb 0.18 -2.30 0.98 0.00 -1.46 0.00 0.00 42.92 40.32 1i50 s ASP 130 CO 0.25 -1.06 1.49 0.77 0.52 0.00 0.00 175.17 177.14 1i50 h SER 131 N 9.13 0.00 0.02 -0.34 4.64 -1.94 1.01 113.55 126.07 1i50 h SER 131 Ca -0.29 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.72 1i50 h SER 131 Cb 1.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1i50 h SER 131 CO 1.07 0.00 -1.72 0.29 -0.87 0.00 0.00 176.83 175.60 1i50 n LYS 132 N -2.35 0.61 0.04 4.77 5.02 -1.26 -3.71 118.16 121.28 1i50 n LYS 132 Ca -0.01 0.44 -0.18 0.00 -2.02 0.00 0.00 58.31 56.54 1i50 n LYS 132 Cb 0.38 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 1i50 n LYS 132 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1i50 h LYS 133 N -0.75 0.63 -0.68 1.97 1.57 -1.31 -2.84 116.57 115.17 1i50 h LYS 133 Ca -0.45 -0.65 -0.05 0.00 -1.87 0.00 0.00 60.65 57.63 1i50 h LYS 133 Cb 1.53 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.99 1i50 h LYS 133 CO -0.19 1.25 0.23 -0.09 -0.57 0.00 0.00 179.45 180.08 1i50 h ARG 134 N 0.37 1.04 -0.16 3.15 2.43 0.70 0.46 114.38 122.36 1i50 h ARG 134 Ca -0.10 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1i50 h ARG 134 Cb 1.62 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 1i50 h ARG 134 CO 0.19 0.89 0.06 0.35 -1.51 0.00 0.00 179.97 179.95 1i50 h PHE 135 N 0.98 0.11 -0.97 2.20 3.57 -1.64 -0.62 116.94 120.57 1i50 h PHE 135 Ca 0.22 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1i50 h PHE 135 Cb 0.27 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 1i50 h PHE 135 CO 0.02 0.05 0.63 0.00 -2.23 0.00 0.00 178.31 176.79 1i50 h ALA 136 N 1.10 1.28 -0.40 2.41 0.00 -1.18 0.33 119.26 122.79 1i50 h ALA 136 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1i50 h ALA 136 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1i50 h ALA 136 CO -0.07 0.52 -0.22 0.00 0.00 0.00 0.00 179.25 179.48 1i50 h ALA 137 N 1.39 0.57 -0.48 0.00 0.00 -0.41 -2.36 119.26 117.97 1i50 h ALA 137 Ca 0.38 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1i50 h ALA 137 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1i50 h ALA 137 CO -0.12 0.55 -0.12 0.82 0.00 0.00 0.00 179.25 180.38 1i50 h ILE 138 N 0.68 1.27 -0.55 0.00 2.04 -0.77 -2.80 117.51 117.38 1i50 h ILE 138 Ca 0.09 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 1i50 h ILE 138 Cb 0.79 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1i50 h ILE 138 CO 0.06 0.43 0.23 -0.25 0.00 0.00 0.00 178.15 178.62 1i50 h TRP 139 N 0.78 0.83 0.00 1.37 7.01 -0.91 0.18 115.95 125.21 1i50 h TRP 139 Ca 0.12 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 1i50 h TRP 139 Cb 0.67 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1i50 h TRP 139 CO 0.05 0.67 -0.13 1.15 -2.79 0.00 0.00 178.44 177.39 1i50 h THR 140 N 0.75 0.47 0.14 2.65 2.02 -1.40 -0.62 112.91 116.93 1i50 h THR 140 Ca 0.18 -0.67 -0.32 0.00 0.77 0.00 0.00 66.41 66.37 1i50 h THR 140 Cb 0.19 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1i50 h THR 140 CO -0.02 0.13 -1.64 0.25 0.37 0.00 0.00 175.52 174.61 1i50 h LEU 141 N 0.00 0.47 -0.07 2.58 5.85 -1.17 -3.40 115.31 119.57 1i50 h LEU 141 Ca -0.00 -0.90 -0.25 0.00 0.84 0.00 0.00 57.88 57.57 1i50 h LEU 141 Cb 0.45 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 41.34 1i50 h LEU 141 CO 0.02 1.73 -0.96 0.00 -0.34 0.00 0.00 178.44 178.89 1i50 n LYS 143 N -3.86 0.06 0.00 0.00 2.85 -0.26 -1.90 118.16 115.06 1i50 n LYS 143 Ca -0.09 0.52 -0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1i50 n LYS 143 Cb 0.84 -1.77 -0.00 0.00 -0.65 0.00 0.00 35.03 33.45 1i50 n LYS 143 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1i50 h THR 144 N 0.00 0.00 -1.69 0.58 2.02 -1.77 -3.45 112.91 108.61 1i50 h THR 144 Ca 0.00 -0.01 -0.64 0.00 0.77 0.00 0.00 66.41 66.54 1i50 h THR 144 Cb 0.15 0.00 0.12 0.00 -1.74 0.00 0.00 68.15 66.68 1i50 h THR 144 CO 0.00 0.00 -0.37 0.29 0.37 0.00 0.00 175.52 175.81 1i50 n LYS 145 N -2.04 0.46 -1.78 6.66 4.76 -0.80 -4.91 118.16 120.52 1i50 n LYS 145 Ca -0.00 0.16 0.02 0.00 -2.87 0.00 0.00 58.31 55.62 1i50 n LYS 145 Cb 0.00 -1.31 0.02 0.00 -1.84 0.00 0.00 35.03 31.90 1i50 n LYS 145 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1i50 n MET 146 N 0.89 0.42 -3.29 1.97 2.81 -1.26 -4.98 117.12 113.68 1i50 n MET 146 Ca 0.14 -2.20 0.03 0.00 -1.81 0.00 0.00 57.70 53.86 1i50 n MET 146 Cb 0.31 -0.28 -0.02 0.00 -0.71 0.00 0.00 33.22 32.51 1i50 n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1i50 s VAL 147 N -0.81 -0.86 -0.84 2.03 1.01 -1.26 -1.59 120.40 118.07 1i50 s VAL 147 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 1i50 s VAL 147 Cb 0.34 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 35.57 1i50 s VAL 147 CO -0.12 0.00 2.34 0.00 0.00 0.00 0.00 175.10 177.32 1i50 n GLU 149 N 8.72 0.76 -0.04 0.00 1.02 -1.26 -3.52 120.64 126.31 1i50 n GLU 149 Ca 0.46 0.28 -0.03 0.00 -0.02 0.00 0.00 57.16 57.85 1i50 n GLU 149 Cb 0.44 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 1i50 n GLU 149 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1i50 n THR 150 N -1.18 0.59 -3.79 2.62 -1.04 -1.26 -4.70 114.28 105.51 1i50 n THR 150 Ca 0.11 -0.42 -0.16 0.00 -2.04 0.00 0.00 64.05 61.54 1i50 n THR 150 Cb 0.43 -0.52 -0.16 0.00 -1.82 0.00 0.00 70.33 68.26 1i50 n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1i50 s ASP 151 N -4.12 0.34 0.07 8.00 1.01 -1.26 -2.72 116.67 117.99 1i50 s ASP 151 Ca -0.05 0.03 0.07 0.00 0.71 0.00 0.00 52.55 53.30 1i50 s ASP 151 Cb 0.04 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.82 1i50 s ASP 151 CO 0.45 -0.14 -0.18 -0.69 0.21 0.00 0.00 175.17 174.82 1i50 s VAL 152 N 1.24 1.44 0.11 -1.27 1.01 0.28 -4.86 120.40 118.35 1i50 s VAL 152 Ca -0.07 -1.31 -0.31 0.00 0.00 0.00 0.00 61.98 60.29 1i50 s VAL 152 Cb -0.13 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 1i50 s VAL 152 CO -0.03 -0.04 1.57 -2.16 0.00 0.00 0.00 175.10 174.44 1i50 s PRO 153 N -1.57 4.23 0.22 2.72 0.04 -1.26 0.70 135.00 140.08 1i50 s PRO 153 Ca 0.04 2.29 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 1i50 s PRO 153 Cb -0.09 -3.36 0.06 0.00 0.04 0.00 0.00 34.50 31.15 1i50 s PRO 153 CO 0.03 -0.63 0.16 -1.13 0.04 0.00 0.00 177.00 175.46 1i50 n SER 154 N 4.65 -1.86 -0.27 6.66 3.41 -1.22 -4.86 113.62 120.13 1i50 n SER 154 Ca 0.14 -0.34 0.07 0.00 -0.26 0.00 0.00 58.87 58.48 1i50 n SER 154 Cb 0.40 -0.16 0.32 0.00 -0.26 0.00 0.00 64.21 64.50 1i50 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i50 n GLU 155 N -2.38 1.35 0.00 4.33 1.02 -1.26 -4.76 120.64 118.93 1i50 n GLU 155 Ca 0.02 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 1i50 n GLU 155 Cb 0.10 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1i50 n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i50 n ASP 156 N -0.19 0.00 -4.71 1.62 8.00 -1.26 -5.08 116.55 114.94 1i50 n ASP 156 Ca 0.11 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 1i50 n ASP 156 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1i50 n ASP 156 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1i50 s ASP 157 N 0.63 6.64 0.07 -2.24 1.01 -1.26 -4.84 116.67 116.68 1i50 s ASP 157 Ca 0.00 2.50 0.10 0.00 0.71 0.00 0.00 52.55 55.86 1i50 s ASP 157 Cb 0.00 -2.58 0.46 0.00 1.01 0.00 0.00 42.92 41.81 1i50 s ASP 157 CO 0.00 -0.81 1.31 -0.81 0.21 0.00 0.00 175.17 175.07 1i50 n PRO 158 N 4.60 0.04 -0.13 8.23 -0.04 -1.26 -0.44 135.00 145.99 1i50 n PRO 158 Ca 0.14 0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1i50 n PRO 158 Cb 0.40 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1i50 n PRO 158 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1i50 h THR 159 N 0.00 1.19 -3.41 0.52 2.02 -1.99 -3.43 112.91 107.82 1i50 h THR 159 Ca 0.00 -0.59 -0.54 0.00 0.77 0.00 0.00 66.41 66.04 1i50 h THR 159 Cb 0.12 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1i50 h THR 159 CO 0.00 0.21 0.02 -1.10 0.37 0.00 0.00 175.52 175.02 1i50 s GLN 160 N -5.56 4.18 0.44 6.66 -0.21 0.41 -5.09 119.66 120.49 1i50 s GLN 160 Ca -0.13 0.74 0.07 0.00 0.02 0.00 0.00 55.36 56.06 1i50 s GLN 160 Cb 0.10 -3.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 1i50 s GLN 160 CO 0.75 0.49 0.37 -0.51 -2.12 0.00 0.00 175.29 174.27 1i50 s LEU 161 N -1.71 3.25 0.01 2.90 1.43 -1.26 -3.40 118.68 119.90 1i50 s LEU 161 Ca 0.37 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1i50 s LEU 161 Cb -0.17 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1i50 s LEU 161 CO 0.20 -0.73 -0.06 -0.69 0.23 0.00 0.00 176.35 175.30 1i50 s VAL 162 N -2.54 0.49 0.23 -1.59 1.01 0.22 -4.70 120.40 113.52 1i50 s VAL 162 Ca 0.46 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1i50 s VAL 162 Cb -0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1i50 s VAL 162 CO 0.27 0.02 0.41 -0.94 0.00 0.00 0.00 175.10 174.86 1i50 s SER 163 N -0.45 6.37 0.26 3.32 1.04 -1.26 -0.56 113.70 122.42 1i50 s SER 163 Ca -0.00 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1i50 s SER 163 Cb -0.04 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1i50 s SER 163 CO -0.00 -0.08 0.34 -2.11 0.98 0.00 0.00 173.24 172.37 1i50 n ARG 164 N -0.89 0.49 -1.51 4.02 1.85 -1.10 -4.95 116.66 114.56 1i50 n ARG 164 Ca -0.05 -2.20 -0.59 0.00 -1.00 0.00 0.00 57.85 54.01 1i50 n ARG 164 Cb 0.54 2.05 -0.09 0.00 -1.05 0.00 0.00 32.46 33.92 1i50 n ARG 164 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i50 n GLY 165 N -0.45 0.12 3.55 2.89 0.00 -1.26 -4.81 105.19 105.24 1i50 n GLY 165 Ca 0.02 0.86 -0.42 0.00 0.00 0.00 0.00 46.02 46.48 1i50 n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i50 s GLY 166 N 2.35 1.16 -0.43 -0.02 0.00 -1.26 -4.64 107.32 104.48 1i50 s GLY 166 Ca 0.91 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 44.57 1i50 s GLY 166 CO 0.70 2.41 1.03 0.00 0.00 0.00 0.00 173.10 177.23 1i50 h GLY 168 N 3.67 0.00 -3.67 0.00 0.00 -1.88 -3.38 103.07 97.82 1i50 h GLY 168 Ca -0.18 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.64 1i50 h GLY 168 CO 0.11 0.00 -0.60 0.70 0.00 0.00 0.00 176.54 176.75 1i50 n ASN 169 N -2.72 -1.69 -4.80 0.19 3.02 -1.26 -4.01 115.26 103.99 1i50 n ASN 169 Ca -0.02 0.76 -0.33 0.00 -0.03 0.00 0.00 54.58 54.96 1i50 n ASN 169 Cb 0.40 -0.72 -0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1i50 n ASN 169 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i50 s THR 170 N -1.08 3.72 0.17 3.41 2.01 -1.26 -2.36 115.64 120.24 1i50 s THR 170 Ca 0.49 0.91 0.02 0.00 0.31 0.00 0.00 61.69 63.41 1i50 s THR 170 Cb -0.61 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1i50 s THR 170 CO 0.47 -0.39 0.32 -1.10 -0.69 0.00 0.00 174.62 173.23 1i50 s GLN 171 N -3.76 3.46 0.12 4.92 -0.21 -0.62 -4.90 119.66 118.67 1i50 s GLN 171 Ca 0.66 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.52 1i50 s GLN 171 Cb -0.17 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 1i50 s GLN 171 CO 0.31 0.48 0.23 -1.25 -2.12 0.00 0.00 175.29 172.94 1i50 s PRO 172 N -3.31 3.32 -0.27 2.91 0.04 -1.26 -4.67 135.00 131.75 1i50 s PRO 172 Ca 0.36 -0.61 -0.18 0.00 0.04 0.00 0.00 61.00 60.61 1i50 s PRO 172 Cb -0.11 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1i50 s PRO 172 CO 0.29 0.54 0.50 0.99 0.04 0.00 0.00 177.00 179.36 1i50 s THR 173 N -1.66 5.07 -0.27 1.26 2.01 -0.91 -4.81 115.64 116.33 1i50 s THR 173 Ca 0.34 0.82 -0.11 0.00 0.31 0.00 0.00 61.69 63.05 1i50 s THR 173 Cb -0.11 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1i50 s THR 173 CO 0.27 0.07 0.18 -0.63 -0.69 0.00 0.00 174.62 173.82 1i50 s ILE 174 N 2.30 5.32 0.10 1.82 1.01 -1.26 -2.56 121.20 127.93 1i50 s ILE 174 Ca 0.21 0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.10 1i50 s ILE 174 Cb -0.16 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1i50 s ILE 174 CO 0.10 0.27 -0.12 0.00 0.00 0.00 0.00 174.94 175.18 1i50 s ARG 175 N 1.63 2.07 -0.11 2.79 1.70 -0.76 -4.95 118.95 121.31 1i50 s ARG 175 Ca 0.07 -1.05 -0.12 0.00 -0.47 0.00 0.00 55.73 54.17 1i50 s ARG 175 Cb -0.16 -2.27 -0.05 0.00 -0.57 0.00 0.00 34.95 31.91 1i50 s ARG 175 CO 0.10 0.51 0.26 0.21 -1.08 0.00 0.00 175.30 175.29 1i50 s LYS 176 N -2.13 3.91 -0.35 3.89 2.20 -1.26 -1.56 119.74 124.43 1i50 s LYS 176 Ca 0.20 0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 55.88 1i50 s LYS 176 Cb -0.11 -3.30 0.12 0.00 -1.51 0.00 0.00 37.83 33.03 1i50 s LYS 176 CO 0.12 0.52 0.16 -0.51 -0.36 0.00 0.00 175.35 175.29 1i50 s ASP 177 N -0.39 3.63 1.83 1.43 1.01 -0.48 -5.00 116.67 118.71 1i50 s ASP 177 Ca 0.17 -1.97 0.00 0.00 0.71 0.00 0.00 52.55 51.46 1i50 s ASP 177 Cb -0.13 -0.74 0.00 0.00 1.01 0.00 0.00 42.92 43.06 1i50 s ASP 177 CO 0.06 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1i50 n GLY 178 N 4.38 2.07 1.34 0.21 0.00 -1.26 -1.66 105.19 110.27 1i50 n GLY 178 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1i50 n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i50 n LEU 179 N 0.00 4.70 -4.09 0.99 4.77 -1.26 -4.98 117.00 117.13 1i50 n LEU 179 Ca 0.00 -3.29 -0.14 0.00 -0.03 0.00 0.00 56.01 52.54 1i50 n LEU 179 Cb 0.00 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.34 1i50 n LEU 179 CO 0.00 0.88 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.98 1i50 s LYS 180 N -3.00 0.61 -0.13 3.23 1.02 -0.67 -4.97 119.74 115.83 1i50 s LYS 180 Ca 0.47 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.61 1i50 s LYS 180 Cb 0.39 -0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1i50 s LYS 180 CO 0.08 0.08 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.01 1i50 s LEU 181 N -1.68 3.11 -0.08 3.17 1.43 -1.26 -1.38 118.68 121.99 1i50 s LEU 181 Ca -0.07 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1i50 s LEU 181 Cb -0.09 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1i50 s LEU 181 CO 0.01 0.21 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 1i50 s VAL 182 N 0.11 2.72 -0.02 -1.59 1.01 -0.60 -0.94 120.40 121.08 1i50 s VAL 182 Ca -0.02 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1i50 s VAL 182 Cb -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1i50 s VAL 182 CO 0.03 0.56 -0.14 -0.83 0.00 0.00 0.00 175.10 174.73 1i50 s GLY 183 N -0.22 1.58 -0.10 4.51 0.00 -0.45 -1.83 107.32 110.81 1i50 s GLY 183 Ca -0.00 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1i50 s GLY 183 CO 0.03 -0.86 -0.22 -1.35 0.00 0.00 0.00 173.10 170.70 1i50 s SER 184 N -1.01 2.94 0.34 1.64 1.04 -1.06 -1.59 113.70 115.99 1i50 s SER 184 Ca 0.13 -0.54 0.08 0.00 0.48 0.00 0.00 55.95 56.10 1i50 s SER 184 Cb -0.11 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.63 1i50 s SER 184 CO 0.03 0.13 0.22 0.26 0.98 0.00 0.00 173.24 174.86 1i50 s TRP 185 N 0.47 2.80 0.00 5.02 0.51 -0.35 -2.14 118.94 125.26 1i50 s TRP 185 Ca -0.16 -0.35 0.00 0.00 -2.12 0.00 0.00 56.10 53.47 1i50 s TRP 185 Cb -0.17 -1.73 0.00 0.00 -0.81 0.00 0.00 33.47 30.76 1i50 s TRP 185 CO 0.06 0.25 0.00 1.17 -0.51 0.00 0.00 176.95 177.93 1i50 n LYS 186 N -1.26 0.00 -2.40 4.98 4.81 -1.26 -2.44 118.16 120.59 1i50 n LYS 186 Ca -0.02 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.99 1i50 n LYS 186 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 1i50 n LYS 186 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1i50 n LYS 187 N -0.13 3.92 0.00 1.64 5.02 -1.26 -4.89 118.16 122.47 1i50 n LYS 187 Ca 0.00 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.59 1i50 n LYS 187 Cb 0.00 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.20 1i50 n LYS 187 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1i50 n ASP 188 N 3.10 0.00 -4.36 4.39 8.00 -1.26 -4.75 116.55 121.67 1i50 n ASP 188 Ca 0.41 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.51 1i50 n ASP 188 Cb 0.34 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.33 1i50 n ASP 188 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1i50 s ARG 189 N -1.40 2.82 -0.29 -1.24 0.52 -1.26 -4.58 118.95 113.51 1i50 s ARG 189 Ca 0.00 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1i50 s ARG 189 Cb 0.00 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1i50 s ARG 189 CO 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 175.30 174.65 1i50 n ALA 190 N 4.96 -0.04 -1.81 2.13 0.00 -1.26 -5.02 120.51 119.47 1i50 n ALA 190 Ca -0.12 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1i50 n ALA 190 Cb 0.46 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 1i50 n ALA 190 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i50 s THR 191 N -1.81 4.40 0.39 0.00 2.01 -1.26 -4.97 115.64 114.40 1i50 s THR 191 Ca 0.00 1.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.86 1i50 s THR 191 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1i50 s THR 191 CO 0.00 -0.67 1.44 -0.83 -0.69 0.00 0.00 174.62 173.87 1i50 s GLY 192 N -3.06 2.94 -1.59 4.40 0.00 -1.26 -2.82 107.32 105.92 1i50 s GLY 192 Ca 0.60 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1i50 s GLY 192 CO 0.33 2.16 0.00 1.22 0.00 0.00 0.00 173.10 176.81 1i50 n ASP 193 N 0.31 -5.19 -1.71 1.64 8.00 -1.26 -4.78 116.55 113.56 1i50 n ASP 193 Ca 0.02 0.11 -0.04 0.00 0.71 0.00 0.00 54.79 55.59 1i50 n ASP 193 Cb 0.40 -4.38 0.01 0.00 -0.02 0.00 0.00 41.12 37.13 1i50 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i50 n ALA 194 N -1.67 3.26 -1.99 2.24 0.00 -1.13 -5.04 120.51 116.18 1i50 n ALA 194 Ca -0.21 -1.10 -0.24 0.00 0.00 0.00 0.00 53.44 51.89 1i50 n ALA 194 Cb 0.65 -0.57 0.11 0.00 0.00 0.00 0.00 19.45 19.64 1i50 n ALA 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i50 s ASP 195 N -1.34 4.33 0.52 0.00 1.01 -1.24 -4.00 116.67 115.95 1i50 s ASP 195 Ca 0.08 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.00 1i50 s ASP 195 Cb 0.21 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 44.10 1i50 s ASP 195 CO -0.06 -1.88 0.00 1.21 0.21 0.00 0.00 175.17 174.65 1i50 n GLU 196 N -2.85 -3.28 -0.90 8.23 2.13 -1.26 -4.95 120.64 117.76 1i50 n GLU 196 Ca 0.15 2.60 0.00 0.00 0.66 0.00 0.00 57.16 60.56 1i50 n GLU 196 Cb 0.61 -3.41 0.00 0.00 0.27 0.00 0.00 31.44 28.91 1i50 n GLU 196 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1i50 n PRO 197 N -3.06 1.87 -3.67 5.31 -0.04 -1.26 -4.79 135.00 129.35 1i50 n PRO 197 Ca -0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 1i50 n PRO 197 Cb 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.81 1i50 n PRO 197 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1i50 s GLU 198 N -0.70 0.14 -0.36 0.54 2.02 -1.02 -4.92 118.70 114.41 1i50 s GLU 198 Ca 0.00 0.70 -0.03 0.00 0.02 0.00 0.00 54.97 55.65 1i50 s GLU 198 Cb 0.00 -0.07 0.07 0.00 0.10 0.00 0.00 34.13 34.23 1i50 s GLU 198 CO 0.00 -0.27 0.12 -0.51 0.02 0.00 0.00 175.26 174.61 1i50 s LEU 199 N 2.25 4.59 -0.03 1.80 1.43 -1.26 -1.21 118.68 126.25 1i50 s LEU 199 Ca 0.00 -1.56 0.07 0.00 -1.03 0.00 0.00 54.13 51.61 1i50 s LEU 199 Cb -0.12 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1i50 s LEU 199 CO -0.08 -0.40 -0.24 0.00 0.23 0.00 0.00 176.35 175.86 1i50 s ARG 200 N 1.25 2.04 0.04 1.70 1.70 -0.62 -4.97 118.95 120.08 1i50 s ARG 200 Ca 0.01 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.11 1i50 s ARG 200 Cb -0.21 -1.91 -0.05 0.00 -0.57 0.00 0.00 34.95 32.21 1i50 s ARG 200 CO -0.01 0.48 1.18 0.08 -1.08 0.00 0.00 175.30 175.95 1i50 s VAL 201 N -0.47 4.13 -0.20 4.99 1.01 -1.26 -1.34 120.40 127.26 1i50 s VAL 201 Ca 0.07 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 1i50 s VAL 201 Cb -0.10 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1i50 s VAL 201 CO -0.00 0.10 1.36 -0.76 0.00 0.00 0.00 175.10 175.80 1i50 s LEU 202 N 1.20 4.07 0.39 3.92 1.43 -0.12 -4.90 118.68 124.68 1i50 s LEU 202 Ca 0.58 1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 55.05 1i50 s LEU 202 Cb -0.28 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 1i50 s LEU 202 CO 0.28 -0.93 0.95 -0.94 0.23 0.00 0.00 176.35 175.94 1i50 s SER 203 N 2.63 7.05 0.29 2.29 1.04 -1.26 -4.49 113.70 121.25 1i50 s SER 203 Ca 0.59 1.76 0.03 0.00 0.48 0.00 0.00 55.95 58.81 1i50 s SER 203 Cb -0.22 -2.56 0.62 0.00 0.10 0.00 0.00 66.02 63.97 1i50 s SER 203 CO 0.20 -0.28 1.81 0.74 0.98 0.00 0.00 173.24 176.69 1i50 h THR 204 N 2.14 0.82 -0.81 2.02 2.02 -1.94 -0.81 112.91 116.35 1i50 h THR 204 Ca -0.48 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.41 1i50 h THR 204 Cb 1.19 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1i50 h THR 204 CO 0.62 0.16 0.54 -0.08 0.37 0.00 0.00 175.52 177.13 1i50 h GLU 205 N 0.88 1.06 -0.03 6.66 4.81 -1.92 -0.02 114.58 126.02 1i50 h GLU 205 Ca 0.53 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1i50 h GLU 205 Cb 0.66 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1i50 h GLU 205 CO -0.32 0.70 -0.00 0.93 -0.73 0.00 0.00 179.01 179.59 1i50 h GLU 206 N 1.09 0.05 -0.42 1.92 5.08 -1.54 -2.26 114.58 118.52 1i50 h GLU 206 Ca 0.30 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1i50 h GLU 206 Cb -0.12 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 1i50 h GLU 206 CO -0.07 0.35 0.13 0.82 -1.00 0.00 0.00 179.01 179.24 1i50 h ILE 207 N -0.25 0.85 -0.61 3.13 1.08 -1.18 -0.81 117.51 119.71 1i50 h ILE 207 Ca 0.01 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1i50 h ILE 207 Cb 0.32 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.55 1i50 h ILE 207 CO 0.00 0.05 0.29 0.25 -0.69 0.00 0.00 178.15 178.05 1i50 h LEU 208 N 0.29 0.38 -0.36 1.44 6.46 -0.90 -1.14 115.31 121.48 1i50 h LEU 208 Ca 0.20 0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 57.85 1i50 h LEU 208 Cb 0.20 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1i50 h LEU 208 CO -0.21 0.24 -0.74 0.78 -0.62 0.00 0.00 178.44 177.89 1i50 h ASN 209 N 0.53 0.00 -0.39 1.25 2.35 -0.99 -2.17 115.58 116.15 1i50 h ASN 209 Ca 0.29 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1i50 h ASN 209 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1i50 h ASN 209 CO -0.23 0.74 -0.07 0.40 -1.65 0.00 0.00 177.43 176.61 1i50 h ILE 210 N 0.00 1.27 -0.81 2.81 2.04 -0.68 -2.48 117.51 119.66 1i50 h ILE 210 Ca -0.01 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 1i50 h ILE 210 Cb 1.40 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 1i50 h ILE 210 CO 0.10 0.38 0.35 -0.26 0.00 0.00 0.00 178.15 178.72 1i50 h PHE 211 N 0.55 1.20 0.00 1.37 -1.00 -1.20 -1.05 116.94 116.82 1i50 h PHE 211 Ca 0.10 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1i50 h PHE 211 Cb 0.57 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1i50 h PHE 211 CO 0.05 0.89 0.00 1.63 -1.61 0.00 0.00 178.31 179.27 1i50 n LYS 212 N -4.29 0.01 -0.06 1.51 5.02 -0.82 -1.62 118.16 117.91 1i50 n LYS 212 Ca 0.08 0.32 0.09 0.00 -2.02 0.00 0.00 58.31 56.77 1i50 n LYS 212 Cb 0.17 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.79 1i50 n LYS 212 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1i50 n HIS 213 N -1.48 0.17 -2.88 2.13 8.25 -0.41 -4.94 115.22 116.05 1i50 n HIS 213 Ca 0.03 -0.11 -0.41 0.00 -0.26 0.00 0.00 57.72 56.97 1i50 n HIS 213 Cb 0.11 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 1i50 n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1i50 s ILE 214 N -1.36 4.90 0.78 1.59 1.01 -0.64 -4.60 121.20 122.88 1i50 s ILE 214 Ca 0.24 1.76 -0.11 0.00 0.00 0.00 0.00 60.65 62.54 1i50 s ILE 214 Cb 0.16 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1i50 s ILE 214 CO 0.23 0.23 1.10 -0.94 0.00 0.00 0.00 174.94 175.57 1i50 s SER 215 N 0.72 4.34 0.18 3.58 1.04 -1.26 -4.81 113.70 117.49 1i50 s SER 215 Ca 0.44 1.91 -0.13 0.00 0.48 0.00 0.00 55.95 58.65 1i50 s SER 215 Cb -0.20 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.50 1i50 s SER 215 CO 0.23 -2.15 1.83 0.58 0.98 0.00 0.00 173.24 174.71 1i50 h VAL 216 N -1.08 1.08 -0.23 5.02 2.07 -1.99 -1.03 116.25 120.09 1i50 h VAL 216 Ca -0.44 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1i50 h VAL 216 Cb 1.24 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1i50 h VAL 216 CO 0.50 0.13 0.15 0.11 0.02 0.00 0.00 177.57 178.48 1i50 h LYS 217 N 0.69 0.30 0.31 1.57 1.57 -1.98 -1.03 116.57 118.00 1i50 h LYS 217 Ca 0.22 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1i50 h LYS 217 Cb -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1i50 h LYS 217 CO -0.09 0.21 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.42 1i50 h ASP 218 N 0.30 -0.35 1.03 0.86 3.32 -1.83 0.30 116.42 120.05 1i50 h ASP 218 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1i50 h ASP 218 Cb -0.02 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1i50 h ASP 218 CO -0.02 -0.25 0.00 2.19 -1.72 0.00 0.00 179.24 179.44 1i50 h PHE 219 N -0.42 0.00 0.00 4.55 -5.15 -1.19 -2.65 116.94 112.08 1i50 h PHE 219 Ca -0.04 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.52 1i50 h PHE 219 Cb 0.32 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.46 1i50 h PHE 219 CO -0.05 0.00 -1.13 1.15 -2.00 0.00 0.00 178.31 176.27 1i50 h THR 220 N 0.00 1.30 0.00 0.88 2.02 -0.87 -1.92 112.91 114.32 1i50 h THR 220 Ca 0.00 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.20 1i50 h THR 220 Cb 0.51 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1i50 h THR 220 CO 0.00 0.74 0.00 0.77 0.37 0.00 0.00 175.52 177.40 1i50 h SER 221 N 0.00 0.00 -2.34 4.18 4.64 -0.59 -3.40 113.55 116.04 1i50 h SER 221 Ca -0.09 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.77 1i50 h SER 221 Cb 1.76 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.93 1i50 h SER 221 CO 0.10 0.00 0.10 -0.76 -0.87 0.00 0.00 176.83 175.40 1i50 s LEU 222 N -5.86 3.01 0.00 5.97 1.43 -1.08 -4.65 118.68 117.49 1i50 s LEU 222 Ca 0.01 -0.25 0.16 0.00 -1.03 0.00 0.00 54.13 53.02 1i50 s LEU 222 Cb 0.09 -2.19 0.91 0.00 0.03 0.00 0.00 46.19 45.03 1i50 s LEU 222 CO 0.51 -1.76 1.37 0.61 0.23 0.00 0.00 176.35 177.31 1i50 n GLY 223 N -2.78 -0.55 3.77 -3.19 0.00 -1.25 -4.88 105.19 96.30 1i50 n GLY 223 Ca 0.13 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1i50 n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i50 s PHE 224 N -2.11 2.68 -0.21 1.61 0.40 -0.74 -4.48 117.98 115.13 1i50 s PHE 224 Ca 0.22 1.53 -0.02 0.00 -0.60 0.00 0.00 56.93 58.06 1i50 s PHE 224 Cb 0.11 -3.36 0.00 0.00 0.51 0.00 0.00 43.02 40.28 1i50 s PHE 224 CO 0.19 -1.69 -0.11 1.21 0.70 0.00 0.00 175.22 175.52 1i50 s ASN 225 N -1.59 3.84 0.63 1.36 3.84 -0.87 -4.04 114.94 118.11 1i50 s ASN 225 Ca 0.71 -0.52 0.23 0.00 0.21 0.00 0.00 52.86 53.49 1i50 s ASN 225 Cb -0.27 -1.63 1.13 0.00 -0.55 0.00 0.00 41.25 39.93 1i50 s ASN 225 CO 0.31 -0.02 1.62 -0.08 -2.79 0.00 0.00 177.10 176.14 1i50 h GLU 226 N 8.04 0.00 0.00 0.43 4.81 -1.92 0.35 114.58 126.29 1i50 h GLU 226 Ca -0.43 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.57 1i50 h GLU 226 Cb 1.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1i50 h GLU 226 CO 0.62 0.00 -1.84 0.28 -0.73 0.00 0.00 179.01 177.34 1i50 n VAL 227 N -3.14 0.83 0.01 0.32 0.31 -1.26 -4.80 118.33 110.60 1i50 n VAL 227 Ca 0.07 -0.27 0.07 0.00 -0.01 0.00 0.00 64.34 64.20 1i50 n VAL 227 Cb 0.82 -1.35 -0.12 0.00 -0.91 0.00 0.00 33.84 32.28 1i50 n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1i50 n PHE 228 N -3.29 0.37 -3.12 3.52 3.01 -1.15 -4.84 117.46 111.95 1i50 n PHE 228 Ca -0.28 0.11 -0.12 0.00 1.01 0.00 0.00 57.45 58.18 1i50 n PHE 228 Cb 0.74 -0.76 -0.04 0.00 -0.01 0.00 0.00 39.48 39.41 1i50 n PHE 228 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1i50 s SER 229 N -5.03 -0.15 0.20 4.37 1.04 0.10 -0.20 113.70 114.03 1i50 s SER 229 Ca -0.06 -1.88 -0.24 0.00 0.48 0.00 0.00 55.95 54.25 1i50 s SER 229 Cb 0.11 1.03 -0.08 0.00 0.10 0.00 0.00 66.02 67.18 1i50 s SER 229 CO 0.86 -0.15 0.80 -0.13 0.98 0.00 0.00 173.24 175.60 1i50 s ARG 230 N 0.95 4.52 0.24 4.02 0.52 -1.21 -2.04 118.95 125.94 1i50 s ARG 230 Ca 0.26 1.14 -0.06 0.00 -0.52 0.00 0.00 55.73 56.54 1i50 s ARG 230 Cb -0.03 -3.12 0.45 0.00 0.52 0.00 0.00 34.95 32.77 1i50 s ARG 230 CO -0.08 0.49 1.66 -1.35 0.02 0.00 0.00 175.30 176.04 1i50 h PRO 231 N 3.96 0.18 -1.02 3.54 0.11 -1.91 0.21 132.00 137.07 1i50 h PRO 231 Ca -0.47 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 65.91 1i50 h PRO 231 Cb 1.20 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1i50 h PRO 231 CO 0.66 0.12 0.71 1.05 -0.21 0.00 0.00 178.00 180.33 1i50 h GLU 232 N 0.18 0.10 0.00 1.05 4.11 -1.91 -0.64 114.58 117.47 1i50 h GLU 232 Ca 0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1i50 h GLU 232 Cb 0.72 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1i50 h GLU 232 CO -0.58 0.06 0.00 0.91 0.07 0.00 0.00 179.01 179.48 1i50 n TRP 233 N -4.32 0.00 0.66 2.06 8.01 0.06 -2.05 117.44 121.86 1i50 n TRP 233 Ca 0.22 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.52 1i50 n TRP 233 Cb 1.02 -0.32 0.44 0.00 -2.01 0.00 0.00 31.31 30.45 1i50 n TRP 233 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1i50 n MET 234 N -1.32 0.06 -3.81 -0.99 2.81 -0.25 -4.54 117.12 109.08 1i50 n MET 234 Ca 0.09 0.19 -0.36 0.00 -1.81 0.00 0.00 57.70 55.81 1i50 n MET 234 Cb 0.17 -1.59 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 1i50 n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1i50 s ILE 235 N -3.06 4.87 0.15 2.02 1.01 -0.87 -3.03 121.20 122.30 1i50 s ILE 235 Ca 0.09 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 1i50 s ILE 235 Cb 0.13 -3.25 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 1i50 s ILE 235 CO 0.40 0.37 0.92 -0.76 0.00 0.00 0.00 174.94 175.88 1i50 s LEU 236 N 1.04 4.56 0.00 2.97 1.43 0.11 -4.89 118.68 123.89 1i50 s LEU 236 Ca 0.05 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1i50 s LEU 236 Cb -0.14 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1i50 s LEU 236 CO 0.04 0.04 0.00 0.41 0.23 0.00 0.00 176.35 177.07 1i50 n THR 237 N 2.24 0.00 -4.03 5.49 -1.04 -1.26 -1.13 114.28 114.55 1i50 n THR 237 Ca -0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1i50 n THR 237 Cb 0.48 -0.69 -0.15 0.00 -1.82 0.00 0.00 70.33 68.16 1i50 n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 s LEU 239 N 1.14 4.32 0.13 0.00 0.20 -1.17 -4.81 118.68 118.50 1i50 s LEU 239 Ca -0.08 0.75 -0.27 0.00 0.69 0.00 0.00 54.13 55.22 1i50 s LEU 239 Cb -0.20 -2.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.95 1i50 s LEU 239 CO -0.04 0.13 0.83 -2.16 -0.29 0.00 0.00 176.35 174.82 1i50 s PRO 240 N 0.08 4.62 -0.43 0.98 0.04 -1.26 -3.24 135.00 135.79 1i50 s PRO 240 Ca 0.22 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 1i50 s PRO 240 Cb -0.15 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.12 1i50 s PRO 240 CO 0.09 0.41 0.33 0.08 0.04 0.00 0.00 177.00 177.94 1i50 s VAL 241 N -0.61 5.15 0.31 -0.36 1.01 -1.03 -4.94 120.40 119.94 1i50 s VAL 241 Ca 0.40 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1i50 s VAL 241 Cb -0.23 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 1i50 s VAL 241 CO 0.27 -0.41 1.59 -2.16 0.00 0.00 0.00 175.10 174.38 1i50 s PRO 242 N 1.64 4.10 0.95 2.72 0.04 -1.26 -0.15 135.00 143.04 1i50 s PRO 242 Ca 0.04 2.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.57 1i50 s PRO 242 Cb -0.21 -3.00 0.16 0.00 0.04 0.00 0.00 34.50 31.48 1i50 s PRO 242 CO 0.08 -0.63 1.09 -1.25 0.04 0.00 0.00 177.00 176.33 1i50 s PRO 243 N -0.85 0.84 0.38 0.56 0.04 -1.26 -4.68 135.00 130.04 1i50 s PRO 243 Ca 0.61 0.85 0.22 0.00 0.04 0.00 0.00 61.00 62.73 1i50 s PRO 243 Cb -0.48 -1.76 1.30 0.00 0.04 0.00 0.00 34.50 33.60 1i50 s PRO 243 CO 0.52 -2.54 1.61 -1.00 0.04 0.00 0.00 177.00 175.63 1i50 h PRO 244 N -1.77 0.11 -0.60 0.56 0.13 -1.87 -0.84 132.00 127.72 1i50 h PRO 244 Ca -0.51 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.76 1i50 h PRO 244 Cb 1.29 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1i50 h PRO 244 CO 0.53 0.07 0.42 -1.00 -0.23 0.00 0.00 178.00 177.80 1i50 h PRO 245 N 0.12 0.17 0.04 1.56 0.13 -1.95 -2.51 132.00 129.55 1i50 h PRO 245 Ca 0.81 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.93 1i50 h PRO 245 Cb 2.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 33.28 1i50 h PRO 245 CO -0.62 0.11 -0.02 0.28 -0.23 0.00 0.00 178.00 177.52 1i50 h VAL 246 N 0.17 0.00 -3.26 1.56 2.07 -1.48 -3.41 116.25 111.90 1i50 h VAL 246 Ca 0.29 -0.88 -0.75 0.00 0.82 0.00 0.00 66.70 66.19 1i50 h VAL 246 Cb 0.91 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.45 1i50 h VAL 246 CO -0.05 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.69 1i50 s ARG 247 N -1.66 3.35 0.00 1.57 1.70 -1.01 -5.06 118.95 117.85 1i50 s ARG 247 Ca -0.01 -1.95 0.00 0.00 -0.47 0.00 0.00 55.73 53.30 1i50 s ARG 247 Cb 0.00 -4.44 0.00 0.00 -0.57 0.00 0.00 34.95 29.94 1i50 s ARG 247 CO 0.02 -1.43 0.00 -0.35 -1.08 0.00 0.00 175.30 172.46 1i50 n PRO 248 N 5.13 -0.83 -3.39 3.89 -0.04 -0.98 -4.36 135.00 134.43 1i50 n PRO 248 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 1i50 n PRO 248 Cb 0.45 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.83 1i50 n PRO 248 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1i50 s SER 249 N -1.45 -0.03 -0.79 3.54 1.04 -1.26 0.24 113.70 114.98 1i50 s SER 249 Ca 0.00 0.45 -0.26 0.00 0.48 0.00 0.00 55.95 56.62 1i50 s SER 249 Cb 0.00 1.28 0.02 0.00 0.10 0.00 0.00 66.02 67.42 1i50 s SER 249 CO 0.00 -0.28 1.48 -0.63 0.98 0.00 0.00 173.24 174.79 1i50 s ILE 250 N 2.59 3.68 -0.37 -1.02 1.01 -1.25 -4.81 121.20 121.03 1i50 s ILE 250 Ca 0.11 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1i50 s ILE 250 Cb -0.15 -4.69 0.05 0.00 0.01 0.00 0.00 42.46 37.68 1i50 s ILE 250 CO -0.16 -1.63 0.17 -0.94 0.00 0.00 0.00 174.94 172.39 1i50 s SER 251 N 5.19 5.49 -1.19 3.58 1.04 -1.26 -4.13 113.70 122.42 1i50 s SER 251 Ca 0.46 -1.24 -0.20 0.00 0.48 0.00 0.00 55.95 55.45 1i50 s SER 251 Cb -0.07 -1.93 0.06 0.00 0.10 0.00 0.00 66.02 64.18 1i50 s SER 251 CO 0.09 -0.40 1.65 -0.36 0.98 0.00 0.00 173.24 175.20 1i50 s PHE 252 N 1.43 2.65 0.00 5.02 0.40 -1.26 -4.78 117.98 121.43 1i50 s PHE 252 Ca 0.01 -1.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.09 1i50 s PHE 252 Cb -0.20 -4.70 0.00 0.00 0.51 0.00 0.00 43.02 38.62 1i50 s PHE 252 CO 0.03 -1.83 0.00 0.09 0.70 0.00 0.00 175.22 174.21 1i50 n ASN 253 N 8.87 0.00 -3.83 1.36 3.02 -1.26 -4.75 115.26 118.68 1i50 n ASN 253 Ca 0.43 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.88 1i50 n ASN 253 Cb 0.48 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.57 1i50 n ASN 253 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1i50 s GLU 254 N 0.00 0.74 -1.47 3.52 2.02 -1.26 -4.95 118.70 117.29 1i50 s GLU 254 Ca 0.00 -0.65 -0.07 0.00 0.02 0.00 0.00 54.97 54.27 1i50 s GLU 254 Cb 0.00 0.31 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1i50 s GLU 254 CO 0.00 -0.22 0.85 -1.13 0.02 0.00 0.00 175.26 174.78 1i50 n SER 255 N 0.57 -6.09 -3.84 -0.19 3.41 -1.26 -5.02 113.62 101.19 1i50 n SER 255 Ca -0.18 -0.42 -0.13 0.00 -0.26 0.00 0.00 58.87 57.88 1i50 n SER 255 Cb 0.59 -4.86 -0.14 0.00 -0.26 0.00 0.00 64.21 59.54 1i50 n SER 255 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1i50 s GLN 256 N -6.01 0.01 1.34 4.33 -0.21 -1.26 -5.11 119.66 112.76 1i50 s GLN 256 Ca 0.44 0.07 -0.20 0.00 0.02 0.00 0.00 55.36 55.69 1i50 s GLN 256 Cb -0.20 -0.05 0.33 0.00 1.00 0.00 0.00 33.01 34.09 1i50 s GLN 256 CO 0.54 -0.04 0.79 0.54 -2.12 0.00 0.00 175.29 175.00 1i50 n ARG 257 N 3.33 -3.92 0.00 2.91 1.74 -1.26 -4.65 116.66 114.81 1i50 n ARG 257 Ca -0.16 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 1i50 n ARG 257 Cb 0.58 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1i50 n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i50 n GLY 258 N 1.81 2.13 3.49 -0.13 0.00 -1.26 -4.58 105.19 106.66 1i50 n GLY 258 Ca 0.09 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1i50 n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i50 s GLU 259 N -0.40 0.66 0.75 1.61 2.02 -1.26 -3.83 118.70 118.24 1i50 s GLU 259 Ca 0.00 0.89 -0.14 0.00 0.02 0.00 0.00 54.97 55.73 1i50 s GLU 259 Cb 0.00 0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.54 1i50 s GLU 259 CO 0.00 -0.10 1.20 0.34 0.02 0.00 0.00 175.26 176.72 1i50 s ASP 260 N 0.67 4.10 0.30 -0.19 -1.08 0.14 -4.82 116.67 115.79 1i50 s ASP 260 Ca -0.03 2.33 0.06 0.00 -0.52 0.00 0.00 52.55 54.39 1i50 s ASP 260 Cb -0.05 -2.59 0.77 0.00 -1.46 0.00 0.00 42.92 39.60 1i50 s ASP 260 CO -0.04 -2.33 1.73 0.44 0.52 0.00 0.00 175.17 175.49 1i50 h ASP 261 N -0.44 0.57 -0.82 -0.34 3.32 -1.97 0.35 116.42 117.09 1i50 h ASP 261 Ca -0.47 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1i50 h ASP 261 Cb 1.29 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 1i50 h ASP 261 CO 0.49 0.11 0.53 -0.07 -1.72 0.00 0.00 179.24 178.58 1i50 h LEU 262 N 0.56 0.95 -0.71 1.55 3.38 -1.92 0.87 115.31 120.00 1i50 h LEU 262 Ca 0.59 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.48 1i50 h LEU 262 Cb 1.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1i50 h LEU 262 CO -0.46 0.70 0.28 0.74 0.09 0.00 0.00 178.44 179.79 1i50 h THR 263 N 1.12 1.25 0.62 0.22 2.02 -1.29 0.13 112.91 116.98 1i50 h THR 263 Ca 0.30 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1i50 h THR 263 Cb -0.11 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1i50 h THR 263 CO -0.06 0.31 -0.39 -0.26 0.37 0.00 0.00 175.52 175.49 1i50 h PHE 264 N 1.01 -1.05 -1.00 3.16 0.05 -0.75 -0.25 116.94 118.10 1i50 h PHE 264 Ca 0.23 -0.01 0.21 0.00 3.82 0.00 0.00 57.97 62.23 1i50 h PHE 264 Cb 0.22 0.37 -0.11 0.00 2.00 0.00 0.00 35.95 38.43 1i50 h PHE 264 CO 0.02 -0.58 0.61 -0.22 -0.18 0.00 0.00 178.31 177.95 1i50 h LYS 265 N -0.95 0.67 -0.90 1.51 1.63 -0.70 0.45 116.57 118.28 1i50 h LYS 265 Ca -0.08 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1i50 h LYS 265 Cb 0.77 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.20 1i50 h LYS 265 CO 0.08 0.44 0.56 -0.07 -3.45 0.00 0.00 179.45 177.01 1i50 h LEU 266 N 0.69 1.06 0.19 5.20 3.38 -0.33 -1.68 115.31 123.82 1i50 h LEU 266 Ca 0.61 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.53 1i50 h LEU 266 Cb 1.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1i50 h LEU 266 CO -0.42 0.80 -0.27 0.00 0.09 0.00 0.00 178.44 178.64 1i50 h ALA 267 N 1.31 -0.51 -0.97 1.53 0.00 0.17 0.16 119.26 120.96 1i50 h ALA 267 Ca 0.32 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1i50 h ALA 267 Cb -0.08 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1i50 h ALA 267 CO -0.06 -0.83 0.62 -0.44 0.00 0.00 0.00 179.25 178.54 1i50 h ASP 268 N -0.52 0.98 -0.11 0.00 3.32 -1.12 0.94 116.42 119.90 1i50 h ASP 268 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1i50 h ASP 268 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1i50 h ASP 268 CO -0.11 0.61 0.07 0.40 -1.72 0.00 0.00 179.24 178.50 1i50 h ILE 269 N 1.11 1.03 -0.42 0.35 2.04 -0.80 0.13 117.51 120.95 1i50 h ILE 269 Ca 0.42 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.23 1i50 h ILE 269 Cb 0.20 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1i50 h ILE 269 CO -0.18 0.03 0.26 0.25 0.00 0.00 0.00 178.15 178.51 1i50 h LEU 270 N 0.14 0.44 0.79 1.44 5.85 0.83 0.90 115.31 125.70 1i50 h LEU 270 Ca 0.04 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1i50 h LEU 270 Cb -0.01 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1i50 h LEU 270 CO -0.01 0.31 -0.42 0.11 -0.34 0.00 0.00 178.44 178.09 1i50 h LYS 271 N 0.53 -1.07 -0.89 1.25 1.57 0.12 -0.66 116.57 117.42 1i50 h LYS 271 Ca 0.16 0.07 0.20 0.00 -1.87 0.00 0.00 60.65 59.22 1i50 h LYS 271 Cb -0.02 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1i50 h LYS 271 CO -0.06 -0.72 0.59 0.00 -0.57 0.00 0.00 179.45 178.70 1i50 h ALA 272 N -1.38 2.23 -0.44 3.86 0.00 -0.66 0.27 119.26 123.13 1i50 h ALA 272 Ca -0.11 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1i50 h ALA 272 Cb 0.87 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1i50 h ALA 272 CO 0.15 -0.50 0.04 -0.97 0.00 0.00 0.00 179.25 177.97 1i50 h ASN 273 N 0.39 0.73 0.03 0.00 -1.24 -0.45 -2.38 115.58 112.66 1i50 h ASN 273 Ca 0.46 -0.28 -0.19 0.00 0.71 0.00 0.00 56.30 57.00 1i50 h ASN 273 Cb 1.16 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 40.02 1i50 h ASN 273 CO -0.16 0.83 -0.67 0.40 -1.29 0.00 0.00 177.43 176.54 1i50 h ILE 274 N 0.61 1.32 0.00 2.57 2.04 0.96 -2.67 117.51 122.34 1i50 h ILE 274 Ca 0.13 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1i50 h ILE 274 Cb 0.43 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1i50 h ILE 274 CO 0.01 0.61 0.00 0.77 0.00 0.00 0.00 178.15 179.54 1i50 h SER 275 N 0.43 0.00 0.10 1.72 4.64 -0.68 -0.51 113.55 119.24 1i50 h SER 275 Ca -0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 1i50 h SER 275 Cb 1.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1i50 h SER 275 CO 0.13 0.00 -1.16 0.25 -0.87 0.00 0.00 176.83 175.18 1i50 h LEU 276 N 0.00 0.85 -0.85 5.97 5.85 -1.10 -3.23 115.31 122.80 1i50 h LEU 276 Ca 0.00 -0.81 -0.12 0.00 0.84 0.00 0.00 57.88 57.79 1i50 h LEU 276 Cb 0.33 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1i50 h LEU 276 CO 0.00 1.57 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.89 1i50 h GLU 277 N 0.25 0.27 -1.96 1.25 5.08 -1.03 -2.99 114.58 115.44 1i50 h GLU 277 Ca -0.17 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1i50 h GLU 277 Cb 1.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.07 1i50 h GLU 277 CO 0.22 0.67 -0.02 2.41 -1.00 0.00 0.00 179.01 181.30 1i50 n THR 278 N -3.99 2.22 -1.41 1.13 -1.04 -0.28 -1.84 114.28 109.06 1i50 n THR 278 Ca -0.02 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 1i50 n THR 278 Cb 0.51 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1i50 n THR 278 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1i50 n LEU 279 N 1.54 0.00 0.00 -4.42 4.77 -1.13 -4.66 117.00 113.10 1i50 n LEU 279 Ca 0.09 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1i50 n LEU 279 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1i50 n LEU 279 CO 0.05 0.17 -0.42 -0.62 -1.33 0.00 0.00 177.39 175.24 1i50 n GLU 280 N 0.00 0.00 0.27 3.23 1.02 -0.77 -3.47 120.64 120.92 1i50 n GLU 280 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1i50 n GLU 280 Cb 0.41 -0.77 0.71 0.00 -0.02 0.00 0.00 31.44 31.77 1i50 n GLU 280 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1i50 h HIS 281 N 0.00 0.00 -0.16 -0.32 2.76 -1.78 -1.70 115.15 113.95 1i50 h HIS 281 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1i50 h HIS 281 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1i50 h HIS 281 CO 0.00 0.10 0.00 0.09 -1.30 0.00 0.00 177.93 176.82 1i50 n ASN 282 N -3.36 2.81 -1.21 3.26 3.02 -1.26 -5.10 115.26 113.42 1i50 n ASN 282 Ca -0.01 -2.51 0.14 0.00 -0.03 0.00 0.00 54.58 52.17 1i50 n ASN 282 Cb 0.28 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 1i50 n ASN 282 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i50 n GLY 283 N -0.44 -2.10 0.00 7.41 0.00 -0.64 -4.93 105.19 104.48 1i50 n GLY 283 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1i50 n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i50 n ALA 284 N -3.28 0.00 -1.06 4.61 0.00 -1.23 -4.45 120.51 115.11 1i50 n ALA 284 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1i50 n ALA 284 Cb 0.60 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.19 1i50 n ALA 284 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1i50 s PRO 285 N -2.00 1.41 -0.03 0.00 0.02 -1.26 -4.93 135.00 128.21 1i50 s PRO 285 Ca 0.00 1.12 -0.23 0.00 0.02 0.00 0.00 61.00 61.91 1i50 s PRO 285 Cb 0.00 -1.80 -0.17 0.00 0.02 0.00 0.00 34.50 32.54 1i50 s PRO 285 CO 0.00 -2.22 1.05 0.45 -0.33 0.00 0.00 177.00 175.95 1i50 h HIS 286 N -1.55 -0.18 0.00 6.54 3.86 -2.00 -2.92 115.15 118.91 1i50 h HIS 286 Ca -0.47 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1i50 h HIS 286 Cb 1.26 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1i50 h HIS 286 CO 0.49 0.27 0.00 1.58 0.86 0.00 0.00 177.93 181.13 1i50 n HIS 287 N -4.94 0.61 0.00 2.45 -0.00 -1.26 -2.18 115.22 109.91 1i50 n HIS 287 Ca -0.08 0.29 -0.20 0.00 -0.00 0.00 0.00 57.72 57.73 1i50 n HIS 287 Cb 0.27 -0.97 -0.14 0.00 -0.00 0.00 0.00 29.99 29.15 1i50 n HIS 287 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1i50 h ALA 288 N 2.09 0.05 0.00 1.57 0.00 -1.93 -3.04 119.26 118.00 1i50 h ALA 288 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 1i50 h ALA 288 Cb 0.10 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1i50 h ALA 288 CO 0.00 0.51 -0.19 0.82 0.00 0.00 0.00 179.25 180.39 1i50 h ILE 289 N -0.50 0.74 0.02 0.00 2.04 -1.26 -2.69 117.51 115.86 1i50 h ILE 289 Ca -0.20 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1i50 h ILE 289 Cb 1.56 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1i50 h ILE 289 CO 0.06 0.19 -0.01 -0.33 0.00 0.00 0.00 178.15 178.06 1i50 h GLU 290 N 0.00 -0.03 -0.96 2.37 5.08 -1.52 -0.98 114.58 118.55 1i50 h GLU 290 Ca -0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1i50 h GLU 290 Cb 0.47 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 1i50 h GLU 290 CO 0.03 0.50 0.60 0.93 -1.00 0.00 0.00 179.01 180.06 1i50 h GLU 291 N -0.57 0.94 -0.62 2.33 3.07 -1.40 0.41 114.58 118.74 1i50 h GLU 291 Ca -0.00 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 1i50 h GLU 291 Cb 0.54 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1i50 h GLU 291 CO 0.00 0.62 0.16 0.00 -1.40 0.00 0.00 179.01 178.39 1i50 h ALA 292 N 1.51 0.82 0.76 3.43 0.00 -1.45 -1.30 119.26 123.04 1i50 h ALA 292 Ca 0.47 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1i50 h ALA 292 Cb 0.42 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i50 h ALA 292 CO -0.25 0.53 -0.38 0.93 0.00 0.00 0.00 179.25 180.08 1i50 h GLU 293 N 0.91 -1.00 0.00 0.00 5.08 0.40 -2.18 114.58 117.80 1i50 h GLU 293 Ca 0.20 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1i50 h GLU 293 Cb 0.35 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1i50 h GLU 293 CO 0.00 -0.67 0.19 0.66 -1.00 0.00 0.00 179.01 178.20 1i50 h SER 294 N -1.04 0.00 -0.01 1.42 4.64 -0.99 0.45 113.55 118.03 1i50 h SER 294 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1i50 h SER 294 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1i50 h SER 294 CO 0.17 0.00 -0.03 0.25 -0.87 0.00 0.00 176.83 176.34 1i50 h LEU 295 N 0.00 0.04 -0.06 5.97 5.85 -0.74 -1.18 115.31 125.19 1i50 h LEU 295 Ca 0.00 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 58.06 1i50 h LEU 295 Cb 0.38 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1i50 h LEU 295 CO 0.00 0.71 -0.07 0.25 -0.34 0.00 0.00 178.44 178.99 1i50 h LEU 296 N -0.63 -0.22 -1.16 2.25 5.85 -0.38 -1.23 115.31 119.78 1i50 h LEU 296 Ca -0.00 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.94 1i50 h LEU 296 Cb 0.71 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1i50 h LEU 296 CO 0.01 -0.10 0.61 -0.61 -0.34 0.00 0.00 178.44 178.00 1i50 h GLN 297 N -0.10 0.68 -0.48 1.25 5.75 -1.11 0.93 115.11 122.04 1i50 h GLN 297 Ca 0.05 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1i50 h GLN 297 Cb 0.17 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1i50 h GLN 297 CO -0.12 0.45 -0.01 0.35 -2.65 0.00 0.00 178.83 176.85 1i50 h PHE 298 N 0.70 0.85 0.13 3.99 3.57 -0.02 -1.56 116.94 124.61 1i50 h PHE 298 Ca 0.53 -0.12 -0.19 0.00 3.53 0.00 0.00 57.97 61.71 1i50 h PHE 298 Cb 0.90 -0.23 0.02 0.00 2.79 0.00 0.00 35.95 39.42 1i50 h PHE 298 CO -0.00 0.79 -0.87 0.45 -2.23 0.00 0.00 178.31 176.44 1i50 h HIS 299 N 0.74 0.52 -0.32 0.41 3.86 -0.43 -1.49 115.15 118.44 1i50 h HIS 299 Ca 0.14 -0.38 0.01 0.00 -1.16 0.00 0.00 60.37 58.99 1i50 h HIS 299 Cb 0.46 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1i50 h HIS 299 CO 0.02 1.34 0.21 0.28 0.86 0.00 0.00 177.93 180.64 1i50 h VAL 300 N -0.38 1.06 0.16 2.45 2.07 -0.94 0.77 116.25 121.43 1i50 h VAL 300 Ca -0.16 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1i50 h VAL 300 Cb 1.64 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1i50 h VAL 300 CO 0.13 0.07 -0.08 0.00 0.02 0.00 0.00 177.57 177.72 1i50 h ALA 301 N 1.81 -0.21 0.00 1.67 0.00 -1.33 -3.26 119.26 117.94 1i50 h ALA 301 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1i50 h ALA 301 Cb 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1i50 h ALA 301 CO -0.03 -0.30 -0.19 1.15 0.00 0.00 0.00 179.25 179.88 1i50 h THR 302 N -0.84 0.74 -0.22 0.00 2.02 -0.95 0.20 112.91 113.85 1i50 h THR 302 Ca -0.02 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1i50 h THR 302 Cb 0.53 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1i50 h THR 302 CO 0.04 0.18 0.15 0.22 0.37 0.00 0.00 175.52 176.48 1i50 h TYR 303 N 0.00 0.21 0.00 3.16 3.20 0.51 -3.10 116.97 120.95 1i50 h TYR 303 Ca -0.00 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 1i50 h TYR 303 Cb 0.46 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 1i50 h TYR 303 CO 0.00 0.13 -2.22 -1.33 -1.64 0.00 0.00 178.16 173.10 1i50 n MET 304 N -4.50 0.81 -3.70 1.82 2.81 -0.83 -2.53 117.12 111.00 1i50 n MET 304 Ca 0.01 0.07 -0.18 0.00 -1.81 0.00 0.00 57.70 55.79 1i50 n MET 304 Cb 0.13 -1.44 -0.17 0.00 -0.71 0.00 0.00 33.22 31.03 1i50 n MET 304 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1i50 s ASP 305 N -5.73 0.77 -0.88 7.83 1.01 0.64 -0.82 116.67 119.50 1i50 s ASP 305 Ca -0.21 0.13 -0.14 0.00 0.71 0.00 0.00 52.55 53.04 1i50 s ASP 305 Cb 0.07 -0.03 0.22 0.00 1.01 0.00 0.00 42.92 44.18 1i50 s ASP 305 CO 0.59 -0.22 0.86 0.20 0.21 0.00 0.00 175.17 176.81 1i50 s ASN 306 N 1.90 6.83 -0.36 0.27 0.01 -1.26 -3.83 114.94 118.50 1i50 s ASN 306 Ca 0.01 -2.75 0.01 0.00 -0.71 0.00 0.00 52.86 49.42 1i50 s ASN 306 Cb -0.12 -2.23 0.28 0.00 0.41 0.00 0.00 41.25 39.59 1i50 s ASN 306 CO -0.04 -0.59 1.21 -0.67 -1.51 0.00 0.00 177.10 175.50 1i50 n ASP 307 N 4.11 -1.59 0.00 -1.22 -0.08 -1.26 -5.08 116.55 111.43 1i50 n ASP 307 Ca 0.17 -2.15 0.00 0.00 -1.51 0.00 0.00 54.79 51.30 1i50 n ASP 307 Cb 0.46 1.05 0.00 0.00 2.34 0.00 0.00 41.12 44.97 1i50 n ASP 307 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i50 n ILE 308 N 1.26 0.00 -0.34 5.18 5.41 -1.26 -5.04 119.36 124.56 1i50 n ILE 308 Ca 0.01 0.00 0.20 0.00 1.00 0.00 0.00 62.75 63.96 1i50 n ILE 308 Cb 0.70 0.00 0.42 0.00 -0.71 0.00 0.00 39.64 40.06 1i50 n ILE 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i50 h ALA 309 N 1.46 1.90 -4.39 -1.39 0.00 -2.00 -3.44 119.26 111.39 1i50 h ALA 309 Ca 0.00 0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 1i50 h ALA 309 Cb 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1i50 h ALA 309 CO 0.00 -0.39 -0.33 0.41 0.00 0.00 0.00 179.25 178.94 1i50 n GLY 310 N -1.33 3.30 2.70 0.00 0.00 -1.26 -5.11 105.19 103.48 1i50 n GLY 310 Ca 0.28 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1i50 n GLY 310 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i50 s GLN 311 N -3.01 1.81 -0.29 1.61 -0.21 -1.26 -4.66 119.66 113.65 1i50 s GLN 311 Ca 0.25 -2.81 -0.28 0.00 0.02 0.00 0.00 55.36 52.53 1i50 s GLN 311 Cb 0.01 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 1i50 s GLN 311 CO 0.18 -1.32 2.03 -1.25 -2.12 0.00 0.00 175.29 172.80 1i50 s PRO 312 N -0.80 3.18 -0.16 2.91 0.04 -1.26 -4.79 135.00 134.12 1i50 s PRO 312 Ca 0.28 1.71 0.15 0.00 0.04 0.00 0.00 61.00 63.18 1i50 s PRO 312 Cb -0.02 -4.30 0.43 0.00 0.04 0.00 0.00 34.50 30.65 1i50 s PRO 312 CO -0.17 -2.05 1.20 1.04 0.04 0.00 0.00 177.00 177.06 1i50 n GLN 313 N 8.63 1.38 -3.15 4.56 6.02 -1.26 -4.71 117.38 128.85 1i50 n GLN 313 Ca 0.27 -3.05 -0.45 0.00 -0.01 0.00 0.00 57.00 53.76 1i50 n GLN 313 Cb 0.46 -1.24 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 1i50 n GLN 313 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i50 s ALA 314 N -2.40 4.23 -0.39 -1.58 0.00 -1.26 -3.09 121.76 117.26 1i50 s ALA 314 Ca 0.38 -3.48 0.03 0.00 0.00 0.00 0.00 51.96 48.89 1i50 s ALA 314 Cb 0.38 -3.82 0.16 0.00 0.00 0.00 0.00 23.12 19.83 1i50 s ALA 314 CO -0.08 -2.51 0.34 -0.51 0.00 0.00 0.00 175.76 172.99 1i50 s LEU 315 N 0.43 0.63 0.00 0.00 1.43 -1.26 -4.88 118.68 115.03 1i50 s LEU 315 Ca 0.34 -2.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.17 1i50 s LEU 315 Cb -0.07 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1i50 s LEU 315 CO -0.05 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.30 1i50 n GLN 316 N 3.63 0.00 -4.67 1.70 6.02 -1.26 -4.92 117.38 117.87 1i50 n GLN 316 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1i50 n GLN 316 Cb 0.44 -3.52 -0.14 0.00 1.02 0.00 0.00 30.24 28.04 1i50 n GLN 316 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1i50 s LYS 317 N -0.33 3.41 0.06 -1.09 1.02 -1.26 -4.97 119.74 116.58 1i50 s LYS 317 Ca 0.00 -0.67 0.17 0.00 0.02 0.00 0.00 55.97 55.49 1i50 s LYS 317 Cb 0.00 -2.69 -0.14 0.00 -0.52 0.00 0.00 37.83 34.49 1i50 s LYS 317 CO 0.00 0.19 0.81 -1.13 -0.92 0.00 0.00 175.35 174.30 1i50 n SER 318 N 3.62 0.84 0.30 2.83 3.41 -1.26 -3.54 113.62 119.83 1i50 n SER 318 Ca -0.18 0.37 0.19 0.00 -0.26 0.00 0.00 58.87 58.99 1i50 n SER 318 Cb 0.53 0.18 0.95 0.00 -0.26 0.00 0.00 64.21 65.61 1i50 n SER 318 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1i50 h GLY 319 N 3.72 0.00 -4.29 5.00 0.00 -1.93 -3.47 103.07 102.10 1i50 h GLY 319 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1i50 h GLY 319 CO 0.05 0.00 -0.11 0.54 0.00 0.00 0.00 176.54 177.02 1i50 n ARG 320 N -3.22 -0.83 -4.07 4.80 1.74 -1.23 -5.09 116.66 108.76 1i50 n ARG 320 Ca -0.02 0.91 -0.25 0.00 -0.77 0.00 0.00 57.85 57.72 1i50 n ARG 320 Cb 0.18 -3.81 -0.05 0.00 -1.02 0.00 0.00 32.46 27.76 1i50 n ARG 320 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1i50 s PRO 321 N -3.17 2.98 0.10 5.56 0.02 -1.18 -4.73 135.00 134.58 1i50 s PRO 321 Ca 0.06 -0.89 -0.07 0.00 0.02 0.00 0.00 61.00 60.12 1i50 s PRO 321 Cb -0.01 -2.66 -0.01 0.00 0.02 0.00 0.00 34.50 31.83 1i50 s PRO 321 CO 0.40 0.46 0.16 0.54 -0.33 0.00 0.00 177.00 178.24 1i50 s VAL 322 N -1.86 0.14 0.02 3.83 0.11 -1.26 -4.42 120.40 116.96 1i50 s VAL 322 Ca 0.32 -1.40 -0.18 0.00 -2.93 0.00 0.00 61.98 57.80 1i50 s VAL 322 Cb -0.10 -1.54 0.03 0.00 -1.53 0.00 0.00 36.38 33.25 1i50 s VAL 322 CO 0.24 -0.62 0.39 -0.54 -3.33 0.00 0.00 175.10 171.25 1i50 s LYS 323 N -3.91 0.85 0.32 1.54 1.02 -1.26 -5.10 119.74 113.20 1i50 s LYS 323 Ca 0.10 -0.29 0.06 0.00 0.02 0.00 0.00 55.97 55.85 1i50 s LYS 323 Cb 0.05 0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.72 1i50 s LYS 323 CO -0.07 -0.27 0.31 -1.13 -0.92 0.00 0.00 175.35 173.26 1i50 n SER 324 N 0.74 -0.81 -0.01 2.83 3.41 -1.26 -4.86 113.62 113.66 1i50 n SER 324 Ca -0.19 -3.03 -0.13 0.00 -0.26 0.00 0.00 58.87 55.26 1i50 n SER 324 Cb 0.59 1.77 -0.10 0.00 -0.26 0.00 0.00 64.21 66.20 1i50 n SER 324 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1i50 h ILE 325 N 2.01 1.36 -0.95 -1.33 2.04 -1.58 0.83 117.51 119.89 1i50 h ILE 325 Ca -0.23 -1.48 0.09 0.00 1.00 0.00 0.00 64.86 64.24 1i50 h ILE 325 Cb 1.14 2.32 -0.07 0.00 -0.74 0.00 0.00 36.82 39.46 1i50 h ILE 325 CO 0.33 0.36 0.59 -0.09 0.00 0.00 0.00 178.15 179.35 1i50 h ARG 326 N -0.73 0.98 -0.54 2.37 2.43 -1.26 0.20 114.38 117.83 1i50 h ARG 326 Ca -0.01 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1i50 h ARG 326 Cb 0.64 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1i50 h ARG 326 CO 0.01 0.65 -0.06 0.00 -1.51 0.00 0.00 179.97 179.06 1i50 h ALA 327 N 1.48 0.88 -0.55 2.80 0.00 -1.74 -1.49 119.26 120.64 1i50 h ALA 327 Ca 0.44 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1i50 h ALA 327 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1i50 h ALA 327 CO -0.22 0.65 0.37 0.00 0.00 0.00 0.00 179.25 180.04 1i50 h ARG 328 N 0.87 0.59 0.00 0.00 3.08 0.36 0.25 114.38 119.54 1i50 h ARG 328 Ca 0.15 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1i50 h ARG 328 Cb 0.59 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1i50 h ARG 328 CO 0.04 0.39 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.11 1i50 h LEU 329 N 0.61 0.00 0.00 3.04 3.38 -0.41 -2.74 115.31 119.18 1i50 h LEU 329 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i50 h LEU 329 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1i50 h LEU 329 CO -0.06 0.14 0.00 0.29 0.09 0.00 0.00 178.44 178.90 1i50 n LYS 330 N -3.16 0.32 -0.08 1.13 5.02 0.88 0.47 118.16 122.74 1i50 n LYS 330 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1i50 n LYS 330 Cb 0.53 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1i50 n LYS 330 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i50 n GLY 331 N -0.33 -2.41 0.00 0.72 0.00 -1.10 -4.16 105.19 97.91 1i50 n GLY 331 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1i50 n GLY 331 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i50 n LYS 332 N 0.00 0.11 0.00 1.61 5.02 0.89 -3.89 118.16 121.91 1i50 n LYS 332 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1i50 n LYS 332 Cb 0.53 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1i50 n LYS 332 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1i50 n GLU 333 N -0.02 2.14 0.00 1.97 0.28 1.69 -4.20 120.64 122.51 1i50 n GLU 333 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1i50 n GLU 333 Cb 0.15 -0.99 -0.12 0.00 1.43 0.00 0.00 31.44 31.91 1i50 n GLU 333 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1i50 n GLY 334 N 2.69 -1.04 0.01 -1.84 0.00 -0.97 -3.22 105.19 100.82 1i50 n GLY 334 Ca 0.00 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.60 1i50 n GLY 334 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i50 n ARG 335 N -1.98 0.34 0.00 1.61 0.63 -1.25 -2.98 116.66 113.03 1i50 n ARG 335 Ca -0.00 -0.08 0.11 0.00 -0.92 0.00 0.00 57.85 56.95 1i50 n ARG 335 Cb 0.47 -1.53 -0.02 0.00 0.45 0.00 0.00 32.46 31.83 1i50 n ARG 335 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1i50 n ILE 336 N -1.92 0.02 -0.02 5.15 5.41 -1.26 -3.90 119.36 122.84 1i50 n ILE 336 Ca 0.00 -0.06 -0.08 0.00 1.00 0.00 0.00 62.75 63.61 1i50 n ILE 336 Cb 0.45 0.67 -0.14 0.00 -0.71 0.00 0.00 39.64 39.92 1i50 n ILE 336 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1i50 n ARG 337 N -1.61 0.63 0.22 0.38 0.63 -1.20 -2.65 116.66 113.07 1i50 n ARG 337 Ca 0.04 0.27 0.15 0.00 -0.92 0.00 0.00 57.85 57.39 1i50 n ARG 337 Cb 0.36 -1.78 0.59 0.00 0.45 0.00 0.00 32.46 32.08 1i50 n ARG 337 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1i50 h GLY 338 N 3.57 0.00 -0.17 5.14 0.00 -1.65 -2.42 103.07 107.54 1i50 h GLY 338 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1i50 h GLY 338 CO 0.07 0.00 -0.70 0.70 0.00 0.00 0.00 176.54 176.61 1i50 n ASN 339 N -2.79 0.99 -1.53 0.19 3.02 -1.24 -4.18 115.26 109.71 1i50 n ASN 339 Ca 0.01 -0.99 0.06 0.00 -0.03 0.00 0.00 54.58 53.63 1i50 n ASN 339 Cb 0.30 0.89 0.31 0.00 -0.61 0.00 0.00 39.78 40.67 1i50 n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1i50 n LEU 340 N -1.13 4.52 -0.12 3.41 4.77 -0.91 -3.85 117.00 123.69 1i50 n LEU 340 Ca 0.04 -2.29 0.03 0.00 -0.03 0.00 0.00 56.01 53.76 1i50 n LEU 340 Cb 0.28 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1i50 n LEU 340 CO 0.32 0.58 0.42 0.23 -1.33 0.00 0.00 177.39 177.61 1i50 n MET 341 N 0.60 1.26 -2.99 3.23 2.81 -1.20 -4.96 117.12 115.87 1i50 n MET 341 Ca 0.22 -1.52 -0.11 0.00 -1.81 0.00 0.00 57.70 54.48 1i50 n MET 341 Cb 0.93 -0.95 0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1i50 n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i50 n GLY 342 N -0.58 -1.66 0.92 3.03 0.00 -1.25 -5.02 105.19 100.63 1i50 n GLY 342 Ca 0.05 0.87 -0.01 0.00 0.00 0.00 0.00 46.02 46.93 1i50 n GLY 342 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i50 n LYS 343 N 0.20 0.06 -1.03 1.61 5.02 -1.26 -4.84 118.16 117.92 1i50 n LYS 343 Ca 0.03 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1i50 n LYS 343 Cb 0.39 -0.58 -0.06 0.00 -0.02 0.00 0.00 35.03 34.75 1i50 n LYS 343 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i50 n ARG 344 N -3.54 1.32 -2.31 1.97 1.74 -1.26 -4.83 116.66 109.75 1i50 n ARG 344 Ca -0.02 -1.70 -0.38 0.00 -0.77 0.00 0.00 57.85 54.99 1i50 n ARG 344 Cb 0.06 -2.82 -0.02 0.00 -1.02 0.00 0.00 32.46 28.66 1i50 n ARG 344 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1i50 n VAL 345 N 6.01 3.18 -2.95 1.55 0.31 -1.26 -4.97 118.33 120.20 1i50 n VAL 345 Ca 0.48 -3.27 -0.34 0.00 -0.01 0.00 0.00 64.34 61.20 1i50 n VAL 345 Cb 0.39 -2.31 -0.06 0.00 -0.91 0.00 0.00 33.84 30.94 1i50 n VAL 345 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1i50 s ASP 346 N 4.92 7.02 -0.68 4.52 -4.77 -1.26 -4.26 116.67 122.15 1i50 s ASP 346 Ca 0.58 1.56 -0.01 0.00 -3.30 0.00 0.00 52.55 51.38 1i50 s ASP 346 Cb 0.03 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.39 1i50 s ASP 346 CO 0.09 -0.17 0.58 0.49 0.70 0.00 0.00 175.17 176.86 1i50 n PHE 347 N -0.00 -1.31 -3.65 2.11 0.99 -1.26 -4.87 117.46 109.46 1i50 n PHE 347 Ca 0.03 0.53 -0.13 0.00 -0.00 0.00 0.00 57.45 57.88 1i50 n PHE 347 Cb 0.52 -3.56 -0.06 0.00 -1.00 0.00 0.00 39.48 35.38 1i50 n PHE 347 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1i50 s SER 348 N -3.59 -0.29 0.15 4.37 1.04 -1.26 -1.21 113.70 112.92 1i50 s SER 348 Ca 0.09 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1i50 s SER 348 Cb -0.04 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1i50 s SER 348 CO 0.40 -0.69 0.03 0.00 0.98 0.00 0.00 173.24 173.96 1i50 s ALA 349 N -2.64 1.11 -0.03 5.32 0.00 -0.27 -4.96 121.76 120.28 1i50 s ALA 349 Ca -0.04 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 1i50 s ALA 349 Cb -0.00 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1i50 s ALA 349 CO -0.04 -0.41 0.10 0.50 0.00 0.00 0.00 175.76 175.92 1i50 s ARG 350 N -3.99 0.24 0.11 0.00 3.52 -1.26 -0.83 118.95 116.74 1i50 s ARG 350 Ca 0.24 -0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 55.53 1i50 s ARG 350 Cb 0.07 0.10 0.09 0.00 -1.56 0.00 0.00 34.95 33.65 1i50 s ARG 350 CO 0.03 -0.04 1.11 0.99 -0.81 0.00 0.00 175.30 176.58 1i50 s THR 351 N -0.45 0.00 0.57 4.11 2.01 -1.04 -4.97 115.64 115.86 1i50 s THR 351 Ca -0.05 -0.47 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1i50 s THR 351 Cb -0.03 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1i50 s THR 351 CO 0.00 0.00 1.21 -0.69 -0.69 0.00 0.00 174.62 174.46 1i50 s VAL 352 N -2.45 2.65 0.17 3.82 1.01 -1.26 -1.48 120.40 122.86 1i50 s VAL 352 Ca 0.19 0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.68 1i50 s VAL 352 Cb -0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1i50 s VAL 352 CO 0.02 -0.07 -0.07 0.27 0.00 0.00 0.00 175.10 175.25 1i50 s ILE 353 N -1.56 3.34 0.03 2.22 -4.36 -0.92 -1.85 121.20 118.09 1i50 s ILE 353 Ca 0.75 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 1i50 s ILE 353 Cb -0.31 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 40.73 1i50 s ILE 353 CO 0.34 -0.09 -0.05 -0.44 0.24 0.00 0.00 174.94 174.94 1i50 s SER 354 N -2.81 0.55 0.55 4.36 0.01 -0.49 -4.77 113.70 111.10 1i50 s SER 354 Ca 0.25 -0.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 1i50 s SER 354 Cb -0.09 0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 1i50 s SER 354 CO 0.16 -0.21 0.99 -0.83 0.41 0.00 0.00 173.24 173.76 1i50 s GLY 355 N -1.34 1.93 -0.25 3.44 0.00 -1.26 -1.77 107.32 108.07 1i50 s GLY 355 Ca -0.11 0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 1i50 s GLY 355 CO -0.00 0.36 0.31 -0.35 0.00 0.00 0.00 173.10 173.42 1i50 s ASP 356 N -3.43 0.97 0.09 1.64 -1.08 0.42 -4.77 116.67 110.50 1i50 s ASP 356 Ca 0.57 -0.23 0.12 0.00 -0.52 0.00 0.00 52.55 52.49 1i50 s ASP 356 Cb -0.10 0.74 0.53 0.00 -1.46 0.00 0.00 42.92 42.63 1i50 s ASP 356 CO 0.39 -0.34 1.36 -0.81 0.52 0.00 0.00 175.17 176.29 1i50 n PRO 357 N 5.34 0.05 -0.36 4.34 -0.04 -1.26 -2.77 135.00 140.29 1i50 n PRO 357 Ca -0.03 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1i50 n PRO 357 Cb 0.49 -1.63 0.28 0.00 -0.04 0.00 0.00 33.50 32.60 1i50 n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1i50 n ASN 358 N -1.73 3.82 -4.87 3.54 3.02 -1.26 -4.73 115.26 113.05 1i50 n ASN 358 Ca 0.01 -2.11 -0.31 0.00 -0.03 0.00 0.00 54.58 52.14 1i50 n ASN 358 Cb 0.09 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 1i50 n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1i50 s LEU 359 N -1.20 4.19 0.49 3.41 1.43 -1.11 -5.09 118.68 120.79 1i50 s LEU 359 Ca 0.42 0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.51 1i50 s LEU 359 Cb 0.23 -2.78 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 1i50 s LEU 359 CO 0.26 0.18 1.03 -1.61 0.23 0.00 0.00 176.35 176.44 1i50 s GLU 360 N -2.42 3.82 0.35 1.70 0.41 -1.26 -4.73 118.70 116.58 1i50 s GLU 360 Ca 0.33 1.33 0.17 0.00 -0.41 0.00 0.00 54.97 56.38 1i50 s GLU 360 Cb -0.13 -2.10 1.20 0.00 -1.78 0.00 0.00 34.13 31.33 1i50 s GLU 360 CO 0.25 -0.41 1.61 1.25 -0.49 0.00 0.00 175.26 177.47 1i50 h LEU 361 N 1.54 0.32 -2.11 1.80 5.85 -1.96 -0.71 115.31 120.03 1i50 h LEU 361 Ca -0.49 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1i50 h LEU 361 Cb 1.22 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1i50 h LEU 361 CO 0.59 -0.33 0.00 -0.90 -0.34 0.00 0.00 178.44 177.46 1i50 n ASP 362 N -5.21 3.10 -4.98 1.25 3.85 -1.26 -4.72 116.55 108.58 1i50 n ASP 362 Ca 0.34 -2.06 -0.20 0.00 -0.71 0.00 0.00 54.79 52.17 1i50 n ASP 362 Cb 1.14 -0.39 0.03 0.00 -1.35 0.00 0.00 41.12 40.54 1i50 n ASP 362 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1i50 s GLN 363 N -1.34 2.60 -0.09 0.11 -0.21 -0.28 -0.81 119.66 119.63 1i50 s GLN 363 Ca 0.37 -0.96 -0.04 0.00 0.02 0.00 0.00 55.36 54.75 1i50 s GLN 363 Cb 0.20 -2.57 0.05 0.00 1.00 0.00 0.00 33.01 31.69 1i50 s GLN 363 CO 0.24 -0.60 0.21 0.54 -2.12 0.00 0.00 175.29 173.57 1i50 s VAL 364 N -2.64 -0.10 -0.16 1.09 0.11 -0.77 -4.64 120.40 113.29 1i50 s VAL 364 Ca 0.57 0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 59.53 1i50 s VAL 364 Cb -0.10 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1i50 s VAL 364 CO 0.37 0.08 0.94 -0.83 -3.33 0.00 0.00 175.10 172.33 1i50 s GLY 365 N 1.43 2.09 -0.27 6.54 0.00 -0.47 -1.41 107.32 115.23 1i50 s GLY 365 Ca -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 1i50 s GLY 365 CO -0.08 1.88 -0.02 0.14 0.00 0.00 0.00 173.10 175.02 1i50 s VAL 366 N 2.36 3.02 0.25 1.40 1.01 -0.13 -2.25 120.40 126.06 1i50 s VAL 366 Ca 0.43 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 1i50 s VAL 366 Cb -0.17 -2.62 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 1i50 s VAL 366 CO 0.13 0.06 1.49 -0.81 0.00 0.00 0.00 175.10 175.96 1i50 n PRO 367 N 4.67 2.26 -0.33 2.72 -0.04 -1.26 -1.82 135.00 141.19 1i50 n PRO 367 Ca -0.15 0.81 0.20 0.00 -0.04 0.00 0.00 63.50 64.32 1i50 n PRO 367 Cb 0.46 -2.52 0.39 0.00 -0.04 0.00 0.00 33.50 31.79 1i50 n PRO 367 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1i50 h LYS 368 N 4.60 0.02 -0.04 0.54 3.64 -0.80 0.27 116.57 124.81 1i50 h LYS 368 Ca -0.45 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1i50 h LYS 368 Cb 1.26 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1i50 h LYS 368 CO 0.78 0.02 -0.09 0.66 -2.27 0.00 0.00 179.45 178.55 1i50 h SER 369 N 0.02 0.06 0.84 4.20 4.64 -1.86 -1.32 113.55 120.13 1i50 h SER 369 Ca 0.68 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.77 1i50 h SER 369 Cb 1.55 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.59 1i50 h SER 369 CO -0.85 0.16 -1.25 0.40 -0.87 0.00 0.00 176.83 174.42 1i50 h ILE 370 N 0.06 1.10 -0.34 0.95 2.04 -0.85 -3.30 117.51 117.16 1i50 h ILE 370 Ca 0.01 -2.77 -0.10 0.00 1.00 0.00 0.00 64.86 63.00 1i50 h ILE 370 Cb 0.21 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1i50 h ILE 370 CO 0.01 0.62 -0.19 0.00 0.00 0.00 0.00 178.15 178.60 1i50 h ALA 371 N 1.14 1.02 0.00 1.87 0.00 -0.45 -2.33 119.26 120.51 1i50 h ALA 371 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1i50 h ALA 371 Cb 1.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1i50 h ALA 371 CO 0.09 0.58 0.00 1.63 0.00 0.00 0.00 179.25 181.55 1i50 n LYS 372 N -4.14 0.08 -0.08 0.00 5.02 -0.57 -3.39 118.16 115.07 1i50 n LYS 372 Ca 0.00 0.14 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 1i50 n LYS 372 Cb 0.39 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.77 1i50 n LYS 372 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1i50 n THR 373 N -1.44 1.53 -3.43 -0.18 -1.04 -0.90 -4.91 114.28 103.90 1i50 n THR 373 Ca 0.06 -0.71 -0.37 0.00 -2.04 0.00 0.00 64.05 60.99 1i50 n THR 373 Cb 0.21 -1.13 -0.07 0.00 -1.82 0.00 0.00 70.33 67.53 1i50 n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1i50 s LEU 374 N -6.23 4.23 0.28 -4.42 1.43 -1.08 -5.05 118.68 107.83 1i50 s LEU 374 Ca -0.21 0.59 0.11 0.00 -1.03 0.00 0.00 54.13 53.59 1i50 s LEU 374 Cb 0.08 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1i50 s LEU 374 CO 0.73 0.02 -0.13 0.42 0.23 0.00 0.00 176.35 177.62 1i50 s THR 375 N 0.74 2.76 -0.11 5.49 -4.23 -1.26 -2.54 115.64 116.49 1i50 s THR 375 Ca 0.20 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1i50 s THR 375 Cb -0.14 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1i50 s THR 375 CO 0.07 -0.38 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.20 1i50 s TYR 376 N -2.46 1.54 -0.42 3.99 5.04 0.20 -4.92 117.35 120.32 1i50 s TYR 376 Ca 0.31 -0.74 -0.29 0.00 -2.44 0.00 0.00 57.07 53.91 1i50 s TYR 376 Cb -0.05 -1.23 0.01 0.00 0.35 0.00 0.00 41.96 41.03 1i50 s TYR 376 CO 0.17 -0.48 1.48 -1.25 -1.34 0.00 0.00 175.55 174.12 1i50 s PRO 377 N 1.49 3.49 -0.21 4.97 0.04 -1.26 -2.42 135.00 141.09 1i50 s PRO 377 Ca 0.01 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 61.97 1i50 s PRO 377 Cb -0.13 -4.07 -0.00 0.00 0.04 0.00 0.00 34.50 30.34 1i50 s PRO 377 CO -0.06 -1.67 -0.06 -2.00 0.04 0.00 0.00 177.00 173.24 1i50 s GLU 378 N 5.14 3.33 0.21 4.56 2.12 -0.41 -4.92 118.70 128.74 1i50 s GLU 378 Ca 0.63 -0.65 -0.31 0.00 0.36 0.00 0.00 54.97 55.00 1i50 s GLU 378 Cb -0.14 -2.95 -0.10 0.00 0.26 0.00 0.00 34.13 31.20 1i50 s GLU 378 CO 0.32 -0.19 1.48 0.08 -0.54 0.00 0.00 175.26 176.41 1i50 s VAL 379 N 1.44 2.69 0.12 3.70 1.01 -1.26 -1.68 120.40 126.42 1i50 s VAL 379 Ca 0.05 0.54 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 1i50 s VAL 379 Cb -0.14 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 1i50 s VAL 379 CO -0.04 0.07 1.52 -0.69 0.00 0.00 0.00 175.10 175.95 1i50 s VAL 380 N 0.49 2.98 0.07 2.92 1.01 0.27 -4.90 120.40 123.24 1i50 s VAL 380 Ca 0.64 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.19 1i50 s VAL 380 Cb -0.42 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1i50 s VAL 380 CO 0.38 0.04 0.15 0.28 0.00 0.00 0.00 175.10 175.94 1i50 s THR 381 N 1.49 0.15 0.47 3.92 -1.32 -1.26 -0.97 115.64 118.11 1i50 s THR 381 Ca 0.69 -1.22 0.36 0.00 -1.21 0.00 0.00 61.69 60.31 1i50 s THR 381 Cb -0.40 -1.24 0.38 0.00 -1.51 0.00 0.00 72.50 69.73 1i50 s THR 381 CO 0.31 -0.67 2.19 1.55 -2.21 0.00 0.00 174.62 175.79 1i50 h PRO 382 N 3.03 0.00 0.00 7.08 0.13 -2.00 0.30 132.00 140.55 1i50 h PRO 382 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1i50 h PRO 382 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1i50 h PRO 382 CO 0.56 0.04 0.00 1.88 -0.23 0.00 0.00 178.00 180.24 1i50 h TYR 383 N 0.00 0.00 0.00 1.56 -1.99 -1.98 -3.33 116.97 111.23 1i50 h TYR 383 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1i50 h TYR 383 Cb 0.21 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 1i50 h TYR 383 CO 0.00 0.00 -0.50 0.27 -0.00 0.00 0.00 178.16 177.93 1i50 n ASN 384 N -2.59 0.27 -0.31 3.88 6.94 -0.18 -4.90 115.26 118.37 1i50 n ASN 384 Ca 0.02 -2.10 -0.04 0.00 -0.02 0.00 0.00 54.58 52.45 1i50 n ASN 384 Cb 0.31 -0.23 0.10 0.00 -2.36 0.00 0.00 39.78 37.60 1i50 n ASN 384 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1i50 h ILE 385 N 6.42 1.26 0.31 1.53 1.08 -1.14 -2.26 117.51 124.70 1i50 h ILE 385 Ca -0.02 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1i50 h ILE 385 Cb 1.41 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1i50 h ILE 385 CO 0.01 0.30 -0.15 0.44 -0.69 0.00 0.00 178.15 178.06 1i50 h ASP 386 N 1.21 -0.35 -0.51 1.72 3.32 -1.87 0.54 116.42 120.47 1i50 h ASP 386 Ca 0.30 -0.19 0.10 0.00 0.02 0.00 0.00 57.03 57.26 1i50 h ASP 386 Cb 0.07 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 1i50 h ASP 386 CO -0.04 0.10 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.46 1i50 h ARG 387 N -0.91 0.09 0.24 3.56 2.43 -1.92 0.26 114.38 118.13 1i50 h ARG 387 Ca -0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1i50 h ARG 387 Cb 0.52 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1i50 h ARG 387 CO 0.07 0.06 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.40 1i50 h LEU 388 N 0.09 -0.28 -1.22 3.80 3.38 -1.45 0.56 115.31 120.20 1i50 h LEU 388 Ca 0.26 -0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.36 1i50 h LEU 388 Cb 0.40 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1i50 h LEU 388 CO -0.45 -0.07 0.63 0.74 0.09 0.00 0.00 178.44 179.38 1i50 h THR 389 N -0.47 0.61 -0.20 0.22 2.02 -0.16 0.47 112.91 115.39 1i50 h THR 389 Ca -0.03 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 1i50 h THR 389 Cb 0.36 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1i50 h THR 389 CO 0.05 0.10 -0.40 -0.61 0.37 0.00 0.00 175.52 175.04 1i50 h GLN 390 N 0.55 0.63 -0.28 6.66 5.75 0.05 -2.96 115.11 125.50 1i50 h GLN 390 Ca 0.58 -0.40 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1i50 h GLN 390 Cb 1.21 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 1i50 h GLN 390 CO -0.33 1.02 0.17 -0.07 -2.65 0.00 0.00 178.83 176.97 1i50 h LEU 391 N 0.31 0.34 -2.10 -2.39 3.38 0.83 -1.89 115.31 113.79 1i50 h LEU 391 Ca 0.01 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1i50 h LEU 391 Cb 1.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1i50 h LEU 391 CO 0.09 0.30 0.20 0.58 0.09 0.00 0.00 178.44 179.70 1i50 h VAL 392 N 0.36 0.71 0.04 1.22 2.07 -1.02 -0.59 116.25 119.03 1i50 h VAL 392 Ca 0.10 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.35 1i50 h VAL 392 Cb 0.02 0.85 0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1i50 h VAL 392 CO -0.02 0.00 -1.10 0.03 0.02 0.00 0.00 177.57 176.50 1i50 h ARG 393 N 0.00 0.62 -0.44 1.57 3.08 -1.19 -3.11 114.38 114.92 1i50 h ARG 393 Ca 0.12 -0.73 -0.02 0.00 0.07 0.00 0.00 59.98 59.42 1i50 h ARG 393 Cb 0.52 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1i50 h ARG 393 CO -0.00 1.31 0.19 -0.91 -1.07 0.00 0.00 179.97 179.49 1i50 h ASN 394 N 0.32 0.55 -3.84 7.04 2.35 -0.55 -3.49 115.58 117.97 1i50 h ASN 394 Ca -0.14 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1i50 h ASN 394 Cb 1.76 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.99 1i50 h ASN 394 CO 0.21 0.49 -0.01 0.61 -1.65 0.00 0.00 177.43 177.08 1i50 n GLY 395 N -1.20 -2.10 0.03 2.83 0.00 -0.57 -3.85 105.19 100.33 1i50 n GLY 395 Ca 0.03 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.70 1i50 n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i50 n PRO 396 N -0.47 0.04 -0.00 1.61 -0.04 -0.89 -2.70 135.00 132.55 1i50 n PRO 396 Ca 0.00 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1i50 n PRO 396 Cb 0.01 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 31.76 1i50 n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1i50 n ASN 397 N -1.66 0.74 -4.72 3.54 5.03 -1.26 -4.92 115.26 112.00 1i50 n ASN 397 Ca 0.03 -0.41 -0.33 0.00 0.87 0.00 0.00 54.58 54.74 1i50 n ASN 397 Cb 0.18 1.49 -0.08 0.00 -1.02 0.00 0.00 39.78 40.35 1i50 n ASN 397 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1i50 s GLU 398 N -3.07 2.90 0.03 3.52 2.02 -1.24 -5.07 118.70 117.79 1i50 s GLU 398 Ca -0.01 -0.54 -0.11 0.00 0.02 0.00 0.00 54.97 54.33 1i50 s GLU 398 Cb 0.13 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.55 1i50 s GLU 398 CO 0.78 0.64 1.18 1.25 0.02 0.00 0.00 175.26 179.13 1i50 h HIS 399 N 4.37 -0.44 -0.02 1.61 -0.00 -1.91 -2.77 115.15 115.98 1i50 h HIS 399 Ca -0.49 0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.26 1i50 h HIS 399 Cb 1.18 0.17 0.07 0.00 -0.00 0.00 0.00 27.41 28.83 1i50 h HIS 399 CO 0.62 -0.22 1.99 -2.30 -0.00 0.00 0.00 177.93 178.02 1i50 n PRO 400 N -3.28 1.12 0.00 5.26 -0.02 -1.26 -4.70 135.00 132.12 1i50 n PRO 400 Ca -0.04 -1.66 0.00 0.00 -2.02 0.00 0.00 63.50 59.78 1i50 n PRO 400 Cb 0.15 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 1i50 n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i50 n GLY 401 N 4.72 7.57 3.31 -1.23 0.00 -1.05 -4.31 105.19 114.21 1i50 n GLY 401 Ca 0.49 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1i50 n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i50 s ALA 402 N -2.00 -0.94 -0.18 4.61 0.00 -1.10 -1.71 121.76 120.45 1i50 s ALA 402 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1i50 s ALA 402 Cb 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 23.12 23.52 1i50 s ALA 402 CO 0.00 -0.57 -0.06 1.63 0.00 0.00 0.00 175.76 176.76 1i50 n LYS 403 N 0.05 0.96 -3.86 0.00 5.02 0.11 -2.10 118.16 118.33 1i50 n LYS 403 Ca -0.17 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.07 1i50 n LYS 403 Cb 0.62 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 34.14 1i50 n LYS 403 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1i50 s TYR 404 N -2.39 0.05 -0.11 2.13 1.51 -1.23 -2.09 117.35 115.22 1i50 s TYR 404 Ca -0.18 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1i50 s TYR 404 Cb 0.06 -0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.87 1i50 s TYR 404 CO 0.55 -0.34 -0.21 0.08 -1.11 0.00 0.00 175.55 174.52 1i50 s VAL 405 N -1.86 1.88 -0.12 0.71 1.01 -0.88 -0.25 120.40 120.89 1i50 s VAL 405 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1i50 s VAL 405 Cb -0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1i50 s VAL 405 CO -0.00 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.85 1i50 s ILE 406 N 0.67 3.03 0.36 2.22 1.01 0.17 -0.93 121.20 127.72 1i50 s ILE 406 Ca -0.12 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1i50 s ILE 406 Cb -0.16 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1i50 s ILE 406 CO 0.02 0.53 0.52 -0.13 0.00 0.00 0.00 174.94 175.88 1i50 s ARG 407 N 0.27 3.15 0.07 2.79 0.52 -0.73 -1.11 118.95 123.91 1i50 s ARG 407 Ca -0.10 -0.80 -0.13 0.00 -0.52 0.00 0.00 55.73 54.19 1i50 s ARG 407 Cb -0.16 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 1i50 s ARG 407 CO 0.05 0.01 0.65 -0.25 0.02 0.00 0.00 175.30 175.78 1i50 n ASP 408 N -1.75 -0.43 0.00 0.23 10.43 -1.26 0.13 116.55 123.90 1i50 n ASP 408 Ca -0.01 0.75 0.00 0.00 2.57 0.00 0.00 54.79 58.10 1i50 n ASP 408 Cb 0.58 -0.10 0.02 0.00 1.84 0.00 0.00 41.12 43.45 1i50 n ASP 408 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1i50 n SER 409 N -4.54 0.00 -0.00 -2.24 3.41 -1.26 -4.75 113.62 104.24 1i50 n SER 409 Ca 0.01 -0.20 -0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1i50 n SER 409 Cb 0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1i50 n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i50 n GLY 410 N -0.46 0.37 3.76 5.00 0.00 0.34 -4.99 105.19 109.23 1i50 n GLY 410 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1i50 n GLY 410 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i50 s ASP 411 N -2.01 6.98 -0.36 1.61 1.01 -1.20 -4.82 116.67 117.89 1i50 s ASP 411 Ca 0.00 2.47 -0.08 0.00 0.71 0.00 0.00 52.55 55.65 1i50 s ASP 411 Cb 0.00 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.34 1i50 s ASP 411 CO 0.00 -0.36 0.15 -0.13 0.21 0.00 0.00 175.17 175.04 1i50 s ARG 412 N -1.67 2.66 -0.34 8.23 0.52 -1.26 -1.77 118.95 125.32 1i50 s ARG 412 Ca 0.47 -1.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.30 1i50 s ARG 412 Cb -0.35 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.54 1i50 s ARG 412 CO 0.46 -0.72 0.53 0.42 0.02 0.00 0.00 175.30 176.02 1i50 s ILE 413 N 1.44 5.00 -0.66 1.52 1.01 -0.11 -4.97 121.20 124.42 1i50 s ILE 413 Ca -0.00 0.48 -0.25 0.00 0.00 0.00 0.00 60.65 60.88 1i50 s ILE 413 Cb -0.20 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.36 1i50 s ILE 413 CO 0.04 -0.18 1.10 -0.62 0.00 0.00 0.00 174.94 175.27 1i50 s ASP 414 N 1.73 6.22 0.48 3.58 -1.08 -1.26 -2.08 116.67 124.26 1i50 s ASP 414 Ca 0.20 -0.59 0.27 0.00 -0.52 0.00 0.00 52.55 51.91 1i50 s ASP 414 Cb -0.15 -2.49 1.45 0.00 -1.46 0.00 0.00 42.92 40.27 1i50 s ASP 414 CO 0.13 -1.56 1.79 -0.07 0.52 0.00 0.00 175.17 175.98 1i50 h LEU 415 N 11.97 0.00 0.01 -1.34 3.38 -1.76 -2.35 115.31 125.22 1i50 h LEU 415 Ca -0.28 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.44 1i50 h LEU 415 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1i50 h LEU 415 CO 1.20 0.00 -1.32 0.08 0.09 0.00 0.00 178.44 178.49 1i50 h ARG 416 N 0.00 0.03 -3.91 1.13 0.11 -1.92 -3.43 114.38 106.39 1i50 h ARG 416 Ca 0.00 -0.05 -0.54 0.00 0.10 0.00 0.00 59.98 59.49 1i50 h ARG 416 Cb 0.32 0.02 -0.39 0.00 1.11 0.00 0.00 29.97 31.03 1i50 h ARG 416 CO 0.00 0.83 -0.78 0.71 0.10 0.00 0.00 179.97 180.83 1i50 s TYR 417 N -2.66 1.46 0.00 4.08 4.12 -0.89 -5.07 117.35 118.40 1i50 s TYR 417 Ca -0.02 -1.03 0.00 0.00 0.02 0.00 0.00 57.07 56.04 1i50 s TYR 417 Cb 0.09 -1.20 0.00 0.00 -1.52 0.00 0.00 41.96 39.33 1i50 s TYR 417 CO 0.83 -0.62 0.00 0.45 0.02 0.00 0.00 175.55 176.23 1i50 n SER 418 N 4.93 0.00 0.00 2.29 2.88 -1.25 -4.47 113.62 118.00 1i50 n SER 418 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1i50 n SER 418 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1i50 n SER 418 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1i50 n LYS 419 N 0.00 0.00 -0.03 -1.46 2.85 -1.26 0.27 118.16 118.53 1i50 n LYS 419 Ca 0.00 0.25 0.03 0.00 -1.05 0.00 0.00 58.31 57.54 1i50 n LYS 419 Cb 0.00 -1.73 0.05 0.00 -0.65 0.00 0.00 35.03 32.70 1i50 n LYS 419 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1i50 n ARG 420 N -1.23 2.49 -0.32 -1.58 1.74 -1.26 -4.75 116.66 111.74 1i50 n ARG 420 Ca 0.00 -1.84 0.21 0.00 -0.77 0.00 0.00 57.85 55.44 1i50 n ARG 420 Cb 0.23 -1.16 0.42 0.00 -1.02 0.00 0.00 32.46 30.93 1i50 n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i50 h ALA 421 N 0.06 1.75 -0.62 7.54 0.00 -0.51 0.32 119.26 127.81 1i50 h ALA 421 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1i50 h ALA 421 Cb 0.66 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1i50 h ALA 421 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.13 1i50 n GLY 422 N -1.32 2.65 2.58 0.00 0.00 -1.26 -4.45 105.19 103.39 1i50 n GLY 422 Ca 0.29 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1i50 n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i50 n ASP 423 N 1.01 2.16 -4.54 1.61 2.03 0.11 -5.08 116.55 113.85 1i50 n ASP 423 Ca 0.25 -2.99 -0.34 0.00 0.52 0.00 0.00 54.79 52.23 1i50 n ASP 423 Cb 0.92 -0.53 -0.12 0.00 -0.72 0.00 0.00 41.12 40.67 1i50 n ASP 423 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1i50 s ILE 424 N -3.59 3.60 -0.48 5.18 1.01 -1.23 -4.96 121.20 120.72 1i50 s ILE 424 Ca 0.34 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1i50 s ILE 424 Cb 0.43 -2.48 0.13 0.00 0.01 0.00 0.00 42.46 40.54 1i50 s ILE 424 CO -0.03 0.58 0.26 -1.10 0.00 0.00 0.00 174.94 174.65 1i50 s GLN 425 N -0.58 2.09 0.63 2.79 -0.21 -1.26 -5.08 119.66 118.04 1i50 s GLN 425 Ca 0.09 -2.18 -0.18 0.00 0.02 0.00 0.00 55.36 53.11 1i50 s GLN 425 Cb -0.12 -3.53 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 1i50 s GLN 425 CO 0.02 -1.09 1.06 1.28 -2.12 0.00 0.00 175.29 174.44 1i50 n LEU 426 N 3.96 4.44 -4.11 2.90 4.77 -1.26 -5.02 117.00 122.68 1i50 n LEU 426 Ca 0.03 0.80 -0.17 0.00 -0.03 0.00 0.00 56.01 56.63 1i50 n LEU 426 Cb 0.39 -1.44 -0.13 0.00 -2.33 0.00 0.00 43.42 39.91 1i50 n LEU 426 CO 0.32 -1.63 -0.44 -1.10 -1.33 0.00 0.00 177.39 173.21 1i50 s GLN 427 N -3.00 0.76 0.22 3.23 -0.21 -1.26 -5.09 119.66 114.31 1i50 s GLN 427 Ca 0.78 -0.75 -0.32 0.00 0.02 0.00 0.00 55.36 55.10 1i50 s GLN 427 Cb -0.40 -0.70 -0.14 0.00 1.00 0.00 0.00 33.01 32.77 1i50 s GLN 427 CO 0.45 0.16 1.44 0.66 -2.12 0.00 0.00 175.29 175.88 1i50 n TYR 428 N 1.76 2.17 0.00 0.91 0.53 -1.26 -1.58 117.16 119.68 1i50 n TYR 428 Ca -0.19 0.41 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 1i50 n TYR 428 Cb 0.55 -2.47 0.00 0.00 -1.03 0.00 0.00 39.34 36.39 1i50 n TYR 428 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1i50 n GLY 429 N 2.39 2.37 3.84 2.72 0.00 -0.14 -4.97 105.19 111.39 1i50 n GLY 429 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1i50 n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i50 s TRP 430 N -2.67 1.97 -0.04 1.61 0.52 -0.61 -4.69 118.94 115.03 1i50 s TRP 430 Ca 0.00 0.57 0.03 0.00 0.02 0.00 0.00 56.10 56.72 1i50 s TRP 430 Cb 0.00 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.61 1i50 s TRP 430 CO 0.00 -2.56 -0.13 0.15 0.02 0.00 0.00 176.95 174.44 1i50 s LYS 431 N -5.60 1.41 -0.17 4.98 1.02 -0.27 0.94 119.74 122.05 1i50 s LYS 431 Ca 0.68 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.22 1i50 s LYS 431 Cb -0.09 -1.24 -0.00 0.00 -0.52 0.00 0.00 37.83 35.97 1i50 s LYS 431 CO 0.53 0.15 -0.13 0.08 -0.92 0.00 0.00 175.35 175.06 1i50 s VAL 432 N 0.21 2.81 -0.89 3.17 1.01 -0.67 0.45 120.40 126.49 1i50 s VAL 432 Ca -0.05 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1i50 s VAL 432 Cb -0.11 -2.21 0.11 0.00 0.00 0.00 0.00 36.38 34.18 1i50 s VAL 432 CO 0.02 0.50 1.12 -1.61 0.00 0.00 0.00 175.10 175.12 1i50 s GLU 433 N 0.98 3.51 0.46 2.72 2.02 0.65 -1.28 118.70 127.75 1i50 s GLU 433 Ca -0.02 -1.55 -0.02 0.00 0.02 0.00 0.00 54.97 53.40 1i50 s GLU 433 Cb -0.15 -4.83 -0.02 0.00 0.10 0.00 0.00 34.13 29.24 1i50 s GLU 433 CO -0.02 -1.81 0.70 -0.98 0.02 0.00 0.00 175.26 173.17 1i50 s ARG 434 N 3.09 3.24 0.72 1.61 1.70 -1.02 0.05 118.95 128.34 1i50 s ARG 434 Ca 0.32 -0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 55.22 1i50 s ARG 434 Cb -0.07 -2.50 0.03 0.00 -0.57 0.00 0.00 34.95 31.85 1i50 s ARG 434 CO -0.06 -0.23 1.10 -1.01 -1.08 0.00 0.00 175.30 174.02 1i50 s HIS 435 N -2.61 2.61 0.27 5.89 3.76 -0.69 -0.63 115.29 123.89 1i50 s HIS 435 Ca 0.47 1.55 -0.29 0.00 -0.15 0.00 0.00 55.06 56.64 1i50 s HIS 435 Cb -0.10 -3.09 -0.09 0.00 1.11 0.00 0.00 32.58 30.40 1i50 s HIS 435 CO 0.40 -1.73 1.13 0.96 -0.85 0.00 0.00 174.74 174.64 1i50 s ILE 436 N -2.68 3.43 0.47 0.60 -4.36 -1.05 -4.70 121.20 112.90 1i50 s ILE 436 Ca 0.63 1.41 0.04 0.00 -0.26 0.00 0.00 60.65 62.47 1i50 s ILE 436 Cb -0.18 -3.90 -0.04 0.00 1.25 0.00 0.00 42.46 39.59 1i50 s ILE 436 CO 0.50 0.33 0.02 -0.04 0.24 0.00 0.00 174.94 175.98 1i50 s MET 437 N -1.36 2.11 0.13 0.37 -1.94 -1.26 -4.88 119.30 112.48 1i50 s MET 437 Ca 0.46 -2.27 -0.34 0.00 -1.71 0.00 0.00 55.69 51.82 1i50 s MET 437 Cb -0.33 -1.59 -0.14 0.00 2.01 0.00 0.00 34.83 34.78 1i50 s MET 437 CO 0.42 -0.24 1.59 -0.25 -0.01 0.00 0.00 175.02 176.52 1i50 n ASP 438 N -1.16 3.04 0.00 3.03 9.92 -1.26 -2.31 116.55 127.80 1i50 n ASP 438 Ca -0.13 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1i50 n ASP 438 Cb 0.67 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1i50 n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1i50 n ASN 439 N 3.65 0.00 -4.76 -2.24 3.02 0.06 -4.90 115.26 110.09 1i50 n ASN 439 Ca 0.18 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 1i50 n ASN 439 Cb 0.28 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.48 1i50 n ASN 439 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1i50 s ASP 440 N -3.03 5.41 -0.13 6.41 1.01 -0.98 -4.55 116.67 120.81 1i50 s ASP 440 Ca 0.00 2.39 -0.21 0.00 0.71 0.00 0.00 52.55 55.44 1i50 s ASP 440 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1i50 s ASP 440 CO 0.00 -1.44 0.62 -2.16 0.21 0.00 0.00 175.17 172.40 1i50 s PRO 441 N -3.18 4.33 0.14 8.23 0.04 -1.26 -2.03 135.00 141.27 1i50 s PRO 441 Ca 0.74 0.68 0.07 0.00 0.04 0.00 0.00 61.00 62.53 1i50 s PRO 441 Cb -0.30 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1i50 s PRO 441 CO 0.34 -0.04 -0.16 0.14 0.04 0.00 0.00 177.00 177.32 1i50 s VAL 442 N 1.21 1.56 -0.24 -0.36 -7.23 0.12 -4.33 120.40 111.11 1i50 s VAL 442 Ca 0.31 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 1i50 s VAL 442 Cb -0.16 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1i50 s VAL 442 CO 0.13 -0.36 0.41 -0.22 -0.31 0.00 0.00 175.10 174.75 1i50 s LEU 443 N -2.54 4.08 -0.08 1.32 2.96 -0.28 0.35 118.68 124.50 1i50 s LEU 443 Ca 0.12 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 1i50 s LEU 443 Cb -0.05 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 1i50 s LEU 443 CO 0.05 -0.17 -0.06 0.12 -1.32 0.00 0.00 176.35 174.97 1i50 s PHE 444 N 1.87 2.97 -0.13 5.38 5.36 0.03 0.01 117.98 133.47 1i50 s PHE 444 Ca 0.18 0.01 -0.12 0.00 -0.96 0.00 0.00 56.93 56.03 1i50 s PHE 444 Cb -0.15 -1.74 0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1i50 s PHE 444 CO 0.09 0.31 0.35 1.21 -1.46 0.00 0.00 175.22 175.72 1i50 s ASN 445 N -0.71 -0.36 -0.16 6.13 3.84 0.51 -2.28 114.94 121.91 1i50 s ASN 445 Ca 0.11 0.67 0.01 0.00 0.21 0.00 0.00 52.86 53.86 1i50 s ASN 445 Cb -0.11 0.69 0.02 0.00 -0.55 0.00 0.00 41.25 41.30 1i50 s ASN 445 CO 0.02 -0.14 -0.19 -0.60 -2.79 0.00 0.00 177.10 173.40 1i50 s ARG 446 N 0.10 2.78 0.41 0.43 3.52 -1.08 -0.72 118.95 124.41 1i50 s ARG 446 Ca -0.01 -0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 54.73 1i50 s ARG 446 Cb -0.03 -2.37 -0.06 0.00 -1.56 0.00 0.00 34.95 30.93 1i50 s ARG 446 CO 0.01 -0.15 0.78 -0.65 -0.81 0.00 0.00 175.30 174.48 1i50 s GLN 447 N 1.17 3.78 -0.08 5.12 -0.21 -1.26 -3.41 119.66 124.77 1i50 s GLN 447 Ca 0.01 0.49 -0.30 0.00 0.02 0.00 0.00 55.36 55.58 1i50 s GLN 447 Cb -0.14 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.47 1i50 s GLN 447 CO -0.08 -0.06 1.15 -1.25 -2.12 0.00 0.00 175.29 172.93 1i50 s PRO 448 N -3.88 4.36 -0.74 2.91 0.04 -1.26 -5.06 135.00 131.36 1i50 s PRO 448 Ca 0.52 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 1i50 s PRO 448 Cb -0.10 -3.57 0.09 0.00 0.04 0.00 0.00 34.50 30.95 1i50 s PRO 448 CO 0.32 -0.44 1.02 -1.54 0.04 0.00 0.00 177.00 176.39 1i50 s SER 449 N 1.41 6.30 -0.22 6.66 1.04 -1.22 -4.82 113.70 122.85 1i50 s SER 449 Ca 0.53 -1.29 0.11 0.00 0.48 0.00 0.00 55.95 55.79 1i50 s SER 449 Cb -0.22 -2.42 0.43 0.00 0.10 0.00 0.00 66.02 63.91 1i50 s SER 449 CO 0.20 -1.34 1.25 0.00 0.98 0.00 0.00 173.24 174.32 1i50 n LEU 450 N 7.43 2.89 -3.82 2.42 -0.00 -1.26 -4.97 117.00 119.69 1i50 n LEU 450 Ca 0.05 -3.89 -0.12 0.00 -0.00 0.00 0.00 56.01 52.05 1i50 n LEU 450 Cb 0.46 -0.54 -0.10 0.00 -0.00 0.00 0.00 43.42 43.24 1i50 n LEU 450 CO 0.61 1.39 -0.10 -2.28 -0.00 0.00 0.00 177.39 177.00 1i50 s HIS 451 N -3.24 -0.09 0.21 1.47 2.46 -1.26 -4.39 115.29 110.44 1i50 s HIS 451 Ca 0.39 0.16 0.07 0.00 0.47 0.00 0.00 55.06 56.14 1i50 s HIS 451 Cb 0.37 0.03 0.14 0.00 -0.13 0.00 0.00 32.58 32.98 1i50 s HIS 451 CO -0.06 -0.28 1.48 1.57 -2.47 0.00 0.00 174.74 174.98 1i50 h LYS 452 N 4.50 0.08 0.00 2.88 2.10 -1.93 -2.70 116.57 121.49 1i50 h LYS 452 Ca -0.29 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1i50 h LYS 452 Cb 1.19 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1i50 h LYS 452 CO 0.39 0.80 0.00 -1.33 -2.00 0.00 0.00 179.45 177.31 1i50 n MET 453 N -3.68 0.61 0.00 0.07 2.81 -1.26 -1.29 117.12 114.38 1i50 n MET 453 Ca -0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.99 1i50 n MET 453 Cb 0.73 -1.20 0.04 0.00 -0.71 0.00 0.00 33.22 32.09 1i50 n MET 453 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1i50 n SER 454 N -0.70 2.46 -3.57 7.83 3.41 -1.02 -4.22 113.62 117.81 1i50 n SER 454 Ca 0.06 -1.73 -0.28 0.00 -0.26 0.00 0.00 58.87 56.65 1i50 n SER 454 Cb 0.03 0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 64.12 1i50 n SER 454 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1i50 s MET 455 N -2.23 1.13 0.39 4.33 -1.94 -0.41 -2.62 119.30 117.96 1i50 s MET 455 Ca 0.23 -2.04 0.08 0.00 -1.71 0.00 0.00 55.69 52.24 1i50 s MET 455 Cb 0.19 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 1i50 s MET 455 CO 0.44 -1.26 0.20 -1.64 -0.01 0.00 0.00 175.02 172.74 1i50 s MET 456 N 0.20 2.32 -0.17 2.03 1.00 -0.97 -4.91 119.30 118.81 1i50 s MET 456 Ca 0.24 -1.70 -0.10 0.00 0.00 0.00 0.00 55.69 54.13 1i50 s MET 456 Cb -0.12 -2.11 -0.05 0.00 0.00 0.00 0.00 34.83 32.56 1i50 s MET 456 CO -0.08 -0.05 0.15 0.00 0.00 0.00 0.00 175.02 175.03 1i50 s ALA 457 N -2.52 3.73 0.34 3.03 0.00 -0.92 -0.79 121.76 124.63 1i50 s ALA 457 Ca 0.41 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.80 1i50 s ALA 457 Cb 0.01 -2.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 1i50 s ALA 457 CO 0.23 0.28 -0.07 -1.01 0.00 0.00 0.00 175.76 175.20 1i50 s HIS 458 N -0.02 2.32 -0.16 0.00 3.76 0.16 -2.18 115.29 119.16 1i50 s HIS 458 Ca 0.11 -0.58 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1i50 s HIS 458 Cb -0.12 -1.39 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 1i50 s HIS 458 CO 0.00 0.49 0.27 1.03 -0.85 0.00 0.00 174.74 175.68 1i50 s ARG 459 N -3.66 4.24 0.30 1.40 0.52 0.00 -0.71 118.95 121.05 1i50 s ARG 459 Ca 0.32 0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 55.30 1i50 s ARG 459 Cb 0.04 -3.42 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 1i50 s ARG 459 CO 0.16 0.25 1.22 0.08 0.02 0.00 0.00 175.30 177.03 1i50 s VAL 460 N 0.43 3.08 -0.32 3.52 1.01 -0.86 -1.85 120.40 125.42 1i50 s VAL 460 Ca 0.15 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 1i50 s VAL 460 Cb -0.13 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.67 1i50 s VAL 460 CO 0.03 0.25 0.12 -0.75 0.00 0.00 0.00 175.10 174.75 1i50 s LYS 461 N -1.53 0.64 0.09 2.72 2.36 -0.50 -0.76 119.74 122.76 1i50 s LYS 461 Ca 0.47 -1.04 -0.31 0.00 -2.55 0.00 0.00 55.97 52.55 1i50 s LYS 461 Cb -0.36 -1.81 -0.08 0.00 -1.05 0.00 0.00 37.83 34.53 1i50 s LYS 461 CO 0.47 -1.02 1.48 0.08 1.55 0.00 0.00 175.35 177.91 1i50 s VAL 462 N 1.60 3.23 0.22 4.02 1.01 -1.26 -0.96 120.40 128.27 1i50 s VAL 462 Ca 0.11 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1i50 s VAL 462 Cb -0.18 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1i50 s VAL 462 CO -0.25 0.03 0.02 0.27 0.00 0.00 0.00 175.10 175.18 1i50 s ILE 463 N 1.74 0.81 0.00 2.22 -4.36 -0.76 -4.87 121.20 115.98 1i50 s ILE 463 Ca 0.67 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 1i50 s ILE 463 Cb -0.37 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1i50 s ILE 463 CO 0.30 -0.30 0.00 -0.81 0.24 0.00 0.00 174.94 174.37 1i50 n PRO 464 N -0.37 0.00 -0.59 0.37 -0.04 -1.26 -0.42 135.00 132.68 1i50 n PRO 464 Ca -0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.21 1i50 n PRO 464 Cb 0.64 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.12 1i50 n PRO 464 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1i50 n TYR 465 N 0.00 -2.55 -1.12 0.54 4.02 -1.26 -3.58 117.16 113.21 1i50 n TYR 465 Ca 0.00 0.05 -0.29 0.00 -0.01 0.00 0.00 57.90 57.65 1i50 n TYR 465 Cb 0.00 -0.83 0.21 0.00 -0.02 0.00 0.00 39.34 38.69 1i50 n TYR 465 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1i50 s SER 466 N -0.55 1.80 0.00 7.72 1.04 -1.26 -4.44 113.70 118.00 1i50 s SER 466 Ca 0.25 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1i50 s SER 466 Cb -0.15 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1i50 s SER 466 CO 0.43 -3.61 0.00 0.35 0.98 0.00 0.00 173.24 171.39 1i50 n THR 467 N -4.46 -0.64 -3.06 2.02 -2.24 -1.26 -4.94 114.28 99.70 1i50 n THR 467 Ca 0.08 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 1i50 n THR 467 Cb 0.58 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 1i50 n THR 467 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1i50 s PHE 468 N -1.94 3.44 -0.02 4.78 2.99 -0.77 -4.22 117.98 122.23 1i50 s PHE 468 Ca 0.00 1.34 0.07 0.00 0.00 0.00 0.00 56.93 58.34 1i50 s PHE 468 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 43.02 40.38 1i50 s PHE 468 CO 0.00 0.12 -0.22 1.03 -0.00 0.00 0.00 175.22 176.15 1i50 s ARG 469 N -2.76 1.77 0.09 0.44 0.52 -0.95 -1.40 118.95 116.66 1i50 s ARG 469 Ca 0.53 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 55.03 1i50 s ARG 469 Cb -0.12 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 1i50 s ARG 469 CO 0.18 0.47 -0.18 -0.51 0.02 0.00 0.00 175.30 175.27 1i50 s LEU 470 N -0.51 2.29 0.41 2.53 1.43 -0.73 -1.36 118.68 122.75 1i50 s LEU 470 Ca 0.08 -0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 52.27 1i50 s LEU 470 Cb -0.08 -0.74 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 1i50 s LEU 470 CO -0.01 0.00 1.20 0.21 0.23 0.00 0.00 176.35 177.99 1i50 s ASN 471 N -1.85 6.40 0.37 2.29 3.84 -1.26 -0.43 114.94 124.30 1i50 s ASN 471 Ca 0.03 2.42 0.04 0.00 0.21 0.00 0.00 52.86 55.56 1i50 s ASN 471 Cb -0.10 -2.62 0.72 0.00 -0.55 0.00 0.00 41.25 38.70 1i50 s ASN 471 CO 0.03 -0.76 2.02 -0.07 -2.79 0.00 0.00 177.10 175.53 1i50 h LEU 472 N 2.55 0.64 0.00 3.21 3.38 -1.92 -2.83 115.31 120.34 1i50 h LEU 472 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1i50 h LEU 472 Cb 1.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1i50 h LEU 472 CO 0.62 0.46 0.00 -1.20 0.09 0.00 0.00 178.44 178.41 1i50 n SER 473 N -4.45 0.00 -1.15 -0.43 7.64 -1.26 -2.11 113.62 111.85 1i50 n SER 473 Ca 0.06 -0.41 0.12 0.00 1.01 0.00 0.00 58.87 59.64 1i50 n SER 473 Cb 0.07 -0.09 0.22 0.00 -1.01 0.00 0.00 64.21 63.40 1i50 n SER 473 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1i50 n VAL 474 N -1.09 0.53 -0.01 0.44 3.14 -1.07 -4.30 118.33 115.97 1i50 n VAL 474 Ca 0.13 -0.76 -0.12 0.00 -2.96 0.00 0.00 64.34 60.62 1i50 n VAL 474 Cb 0.09 0.97 -0.08 0.00 -1.06 0.00 0.00 33.84 33.76 1i50 n VAL 474 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1i50 h THR 475 N 4.43 1.24 -0.41 1.55 2.02 -1.58 -3.32 112.91 116.84 1i50 h THR 475 Ca 0.00 -0.73 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 1i50 h THR 475 Cb 0.98 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1i50 h THR 475 CO 0.00 0.20 -0.32 0.77 0.37 0.00 0.00 175.52 176.54 1i50 h SER 476 N -0.20 0.99 0.00 4.18 4.64 -1.82 -0.68 113.55 120.67 1i50 h SER 476 Ca 0.01 -0.44 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1i50 h SER 476 Cb 0.32 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1i50 h SER 476 CO 0.00 1.22 -0.00 1.55 -0.87 0.00 0.00 176.83 178.73 1i50 h PRO 477 N 0.76 0.00 0.00 4.77 0.13 -1.74 0.18 132.00 136.10 1i50 h PRO 477 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1i50 h PRO 477 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1i50 h PRO 477 CO 0.08 0.00 -1.27 0.66 -0.23 0.00 0.00 178.00 177.24 1i50 n TYR 478 N -3.20 0.05 -3.57 1.56 0.53 -1.10 -3.90 117.16 107.53 1i50 n TYR 478 Ca -0.03 0.02 -0.21 0.00 -1.02 0.00 0.00 57.90 56.66 1i50 n TYR 478 Cb 0.07 -0.23 0.07 0.00 -1.03 0.00 0.00 39.34 38.22 1i50 n TYR 478 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1i50 n ASN 479 N -1.81 -2.92 -4.53 7.72 4.05 0.62 -4.87 115.26 113.52 1i50 n ASN 479 Ca 0.01 -0.67 -0.27 0.00 0.45 0.00 0.00 54.58 54.11 1i50 n ASN 479 Cb 0.42 -4.75 -0.10 0.00 1.23 0.00 0.00 39.78 36.58 1i50 n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i50 s ALA 480 N -3.42 2.82 0.12 5.20 0.00 -0.68 -5.03 121.76 120.77 1i50 s ALA 480 Ca 0.17 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.65 1i50 s ALA 480 Cb -0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1i50 s ALA 480 CO 0.76 0.47 0.09 -0.40 0.00 0.00 0.00 175.76 176.67 1i50 n ASP 481 N 0.15 0.01 -2.06 0.00 5.68 -1.26 -4.72 116.55 114.35 1i50 n ASP 481 Ca -0.11 -1.77 -0.19 0.00 -0.50 0.00 0.00 54.79 52.21 1i50 n ASP 481 Cb 0.55 0.55 0.03 0.00 -1.14 0.00 0.00 41.12 41.11 1i50 n ASP 481 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1i50 n PHE 482 N -0.24 2.39 -1.19 2.11 3.01 -1.26 -4.30 117.46 117.97 1i50 n PHE 482 Ca 0.02 -2.16 -0.19 0.00 1.01 0.00 0.00 57.45 56.13 1i50 n PHE 482 Cb 0.21 -0.32 0.21 0.00 -0.01 0.00 0.00 39.48 39.58 1i50 n PHE 482 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1i50 n ASP 483 N -0.71 4.00 0.00 4.37 3.85 -1.26 -4.78 116.55 122.03 1i50 n ASP 483 Ca 0.37 -3.52 0.00 0.00 -0.71 0.00 0.00 54.79 50.93 1i50 n ASP 483 Cb 0.93 -0.81 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 1i50 n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i50 n GLY 484 N -0.90 1.04 3.56 6.12 0.00 -1.26 -5.11 105.19 108.63 1i50 n GLY 484 Ca 0.55 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 1i50 n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i50 n ASP 485 N 0.00 0.30 -4.24 1.61 10.43 -1.26 -4.83 116.55 118.55 1i50 n ASP 485 Ca 0.00 0.86 -0.26 0.00 2.57 0.00 0.00 54.79 57.96 1i50 n ASP 485 Cb 0.00 -1.30 -0.14 0.00 1.84 0.00 0.00 41.12 41.52 1i50 n ASP 485 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1i50 s GLU 486 N -2.28 1.41 0.18 -1.24 2.02 -1.26 -2.16 118.70 115.36 1i50 s GLU 486 Ca 0.69 -0.91 0.05 0.00 0.02 0.00 0.00 54.97 54.82 1i50 s GLU 486 Cb -0.48 -1.50 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 1i50 s GLU 486 CO 0.53 0.39 -0.08 -1.64 0.02 0.00 0.00 175.26 174.47 1i50 s MET 487 N -1.10 1.17 -0.02 1.61 -1.94 -0.55 -4.69 119.30 113.78 1i50 s MET 487 Ca 0.07 -1.53 0.00 0.00 -1.71 0.00 0.00 55.69 52.53 1i50 s MET 487 Cb -0.09 -0.70 -0.04 0.00 2.01 0.00 0.00 34.83 36.01 1i50 s MET 487 CO 0.01 0.05 0.01 -0.80 -0.01 0.00 0.00 175.02 174.28 1i50 s ASN 488 N -3.23 5.21 -0.12 3.03 0.01 0.11 -2.50 114.94 117.44 1i50 s ASN 488 Ca 0.20 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.42 1i50 s ASN 488 Cb 0.03 -1.40 0.02 0.00 0.41 0.00 0.00 41.25 40.30 1i50 s ASN 488 CO 0.04 0.31 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.56 1i50 s LEU 489 N -1.39 1.72 -0.07 0.60 0.20 -0.01 -0.36 118.68 119.37 1i50 s LEU 489 Ca 0.18 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.56 1i50 s LEU 489 Cb -0.11 -1.14 -0.02 0.00 -0.43 0.00 0.00 46.19 44.48 1i50 s LEU 489 CO 0.08 -0.01 -0.12 -1.00 -0.29 0.00 0.00 176.35 175.02 1i50 s HIS 490 N 1.16 2.79 -0.35 5.38 3.76 0.10 -1.11 115.29 127.01 1i50 s HIS 490 Ca -0.02 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.57 1i50 s HIS 490 Cb -0.14 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1i50 s HIS 490 CO -0.05 0.15 0.21 0.08 -0.85 0.00 0.00 174.74 174.28 1i50 s VAL 491 N -0.53 4.81 0.32 -0.90 1.01 -0.35 -1.12 120.40 123.64 1i50 s VAL 491 Ca 0.07 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1i50 s VAL 491 Cb -0.12 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 1i50 s VAL 491 CO 0.02 -0.12 1.36 -0.81 0.00 0.00 0.00 175.10 175.55 1i50 n PRO 492 N 5.04 2.22 0.00 2.72 -0.04 -1.26 -4.92 135.00 138.76 1i50 n PRO 492 Ca -0.12 0.78 0.10 0.00 -0.04 0.00 0.00 63.50 64.21 1i50 n PRO 492 Cb 0.48 -2.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.43 1i50 n PRO 492 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1i50 n GLN 493 N 0.95 0.59 -4.57 0.54 -0.06 -1.26 -4.89 117.38 108.68 1i50 n GLN 493 Ca 0.06 -0.17 -0.27 0.00 -2.00 0.00 0.00 57.00 54.61 1i50 n GLN 493 Cb 0.36 -1.44 -0.08 0.00 -4.06 0.00 0.00 30.24 25.02 1i50 n GLN 493 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1i50 s SER 494 N -2.78 3.12 -0.02 1.69 1.04 -1.26 -4.63 113.70 110.86 1i50 s SER 494 Ca 0.09 -1.68 -0.21 0.00 0.48 0.00 0.00 55.95 54.63 1i50 s SER 494 Cb 0.15 0.53 -0.26 0.00 0.10 0.00 0.00 66.02 66.54 1i50 s SER 494 CO 0.77 -0.92 1.03 -0.08 0.98 0.00 0.00 173.24 175.02 1i50 h GLU 495 N 1.67 0.35 -0.02 4.02 4.57 -1.95 -1.99 114.58 121.25 1i50 h GLU 495 Ca -0.37 -0.43 -0.07 0.00 -1.18 0.00 0.00 59.36 57.31 1i50 h GLU 495 Cb 1.28 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 1i50 h GLU 495 CO 0.60 1.12 -0.32 0.93 -1.18 0.00 0.00 179.01 180.16 1i50 h GLU 496 N -0.23 0.03 -0.10 1.92 3.07 -1.99 -2.25 114.58 115.03 1i50 h GLU 496 Ca -0.09 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.60 1i50 h GLU 496 Cb 1.37 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.27 1i50 h GLU 496 CO 0.12 0.35 -0.63 1.15 -1.40 0.00 0.00 179.01 178.61 1i50 h THR 497 N 0.03 1.37 -0.18 1.13 2.02 -1.96 -2.16 112.91 113.15 1i50 h THR 497 Ca 0.00 -1.98 -0.02 0.00 0.77 0.00 0.00 66.41 65.19 1i50 h THR 497 Cb 0.59 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1i50 h THR 497 CO 0.04 0.59 0.04 0.03 0.37 0.00 0.00 175.52 176.60 1i50 h ARG 498 N 0.27 0.29 -0.97 6.66 3.08 -0.80 -3.00 114.38 119.91 1i50 h ARG 498 Ca -0.01 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1i50 h ARG 498 Cb 1.16 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 1i50 h ARG 498 CO 0.11 0.43 0.63 0.00 -1.07 0.00 0.00 179.97 180.07 1i50 h ALA 499 N 0.84 1.28 -0.64 0.04 0.00 -1.37 -2.31 119.26 117.11 1i50 h ALA 499 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1i50 h ALA 499 Cb 0.27 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1i50 h ALA 499 CO 0.00 0.53 0.42 1.49 0.00 0.00 0.00 179.25 181.69 1i50 h GLU 500 N 1.23 0.83 -0.12 0.00 4.81 -1.28 -0.24 114.58 119.82 1i50 h GLU 500 Ca 0.38 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1i50 h GLU 500 Cb -0.01 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1i50 h GLU 500 CO -0.12 0.55 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.63 1i50 h LEU 501 N 0.85 0.21 -0.10 1.64 3.38 -1.34 -1.91 115.31 118.05 1i50 h LEU 501 Ca 0.24 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1i50 h LEU 501 Cb -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1i50 h LEU 501 CO -0.06 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.43 1i50 n SER 502 N -4.78 0.67 -0.25 -0.43 3.41 -0.90 -0.47 113.62 110.87 1i50 n SER 502 Ca -0.06 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 1i50 n SER 502 Cb 0.22 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 1i50 n SER 502 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i50 n GLN 503 N -2.14 1.85 0.00 4.33 3.00 -0.11 -4.47 117.38 119.84 1i50 n GLN 503 Ca 0.05 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 1i50 n GLN 503 Cb 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.39 1i50 n GLN 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1i50 n LEU 504 N -0.50 0.60 -0.00 1.08 4.32 -0.72 -4.93 117.00 116.85 1i50 n LEU 504 Ca 0.05 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.15 1i50 n LEU 504 Cb 0.30 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.94 1i50 n LEU 504 CO 0.22 0.10 -0.71 0.00 -1.22 0.00 0.00 177.39 175.79 1i50 n ALA 506 N -2.27 -3.00 -0.30 0.00 0.00 0.07 -2.16 120.51 112.85 1i50 n ALA 506 Ca -0.04 0.52 0.12 0.00 0.00 0.00 0.00 53.44 54.04 1i50 n ALA 506 Cb 0.58 -1.73 0.27 0.00 0.00 0.00 0.00 19.45 18.57 1i50 n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i50 h VAL 507 N 2.17 0.24 -0.81 0.00 2.07 -1.78 -1.01 116.25 117.14 1i50 h VAL 507 Ca -0.41 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1i50 h VAL 507 Cb 1.42 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1i50 h VAL 507 CO 0.62 0.02 0.53 -0.65 0.02 0.00 0.00 177.57 178.12 1i50 h PRO 508 N 0.13 0.83 0.00 1.57 0.11 -1.89 -1.11 132.00 131.64 1i50 h PRO 508 Ca 0.54 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1i50 h PRO 508 Cb 1.09 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1i50 h PRO 508 CO -0.73 0.55 0.00 1.28 -0.21 0.00 0.00 178.00 178.89 1i50 n LEU 509 N -4.49 0.00 -0.13 2.35 4.77 -0.38 -2.78 117.00 116.34 1i50 n LEU 509 Ca 0.12 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1i50 n LEU 509 Cb 0.23 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1i50 n LEU 509 CO 0.33 0.00 0.31 0.00 -1.33 0.00 0.00 177.39 176.70 1i50 n GLN 510 N -0.89 -0.44 -0.04 3.23 1.13 -0.43 -4.75 117.38 115.20 1i50 n GLN 510 Ca 0.13 -0.73 -0.08 0.00 -1.94 0.00 0.00 57.00 54.38 1i50 n GLN 510 Cb 0.06 -1.06 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 1i50 n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1i50 h ILE 511 N 0.64 0.56 -3.59 5.09 2.04 -1.48 -3.35 117.51 117.43 1i50 h ILE 511 Ca 0.00 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.22 1i50 h ILE 511 Cb 0.15 0.56 -0.14 0.00 -0.74 0.00 0.00 36.82 36.65 1i50 h ILE 511 CO 0.00 0.00 0.13 -0.69 0.00 0.00 0.00 178.15 177.59 1i50 s VAL 512 N -6.15 4.85 0.15 1.67 1.01 -1.26 0.04 120.40 120.70 1i50 s VAL 512 Ca -0.14 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1i50 s VAL 512 Cb 0.12 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1i50 s VAL 512 CO 0.68 -0.48 0.20 -0.94 0.00 0.00 0.00 175.10 174.56 1i50 s SER 513 N 1.92 5.91 0.02 3.32 1.04 -0.51 -4.88 113.70 120.53 1i50 s SER 513 Ca 0.23 0.02 0.28 0.00 0.48 0.00 0.00 55.95 56.97 1i50 s SER 513 Cb -0.14 -1.67 1.13 0.00 0.10 0.00 0.00 66.02 65.44 1i50 s SER 513 CO 0.17 0.07 1.87 -0.81 0.98 0.00 0.00 173.24 175.52 1i50 n PRO 514 N -0.35 0.03 0.08 4.02 -0.04 -1.26 -2.45 135.00 135.03 1i50 n PRO 514 Ca -0.08 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1i50 n PRO 514 Cb 0.54 -1.54 0.31 0.00 -0.04 0.00 0.00 33.50 32.78 1i50 n PRO 514 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1i50 h GLN 515 N 0.00 0.33 0.00 0.54 3.07 -1.92 -3.31 115.11 113.83 1i50 h GLN 515 Ca 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 58.65 58.59 1i50 h GLN 515 Cb 0.53 -0.04 -0.13 0.00 0.08 0.00 0.00 27.48 27.92 1i50 h GLN 515 CO 0.00 0.50 -0.63 0.43 0.09 0.00 0.00 178.83 179.23 1i50 n SER 516 N -4.21 0.71 -4.32 0.06 7.64 -1.25 -1.01 113.62 111.25 1i50 n SER 516 Ca -0.00 -2.26 -0.31 0.00 1.01 0.00 0.00 58.87 57.30 1i50 n SER 516 Cb 0.32 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 1i50 n SER 516 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1i50 n ASN 517 N -0.07 0.81 -3.71 6.43 0.23 -1.02 -4.80 115.26 113.12 1i50 n ASN 517 Ca 0.05 -1.27 -0.08 0.00 -0.53 0.00 0.00 54.58 52.75 1i50 n ASN 517 Cb 0.84 -1.64 -0.02 0.00 -2.08 0.00 0.00 39.78 36.89 1i50 n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1i50 s LYS 518 N -7.36 1.57 0.60 -3.83 -2.85 -1.17 -4.74 119.74 101.96 1i50 s LYS 518 Ca 0.03 -0.79 -0.19 0.00 -1.00 0.00 0.00 55.97 54.02 1i50 s LYS 518 Cb -0.02 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 1i50 s LYS 518 CO 1.00 -0.71 1.24 -1.25 0.10 0.00 0.00 175.35 175.73 1i50 s PRO 519 N -3.81 2.88 0.00 1.78 0.04 -1.26 -1.42 135.00 133.21 1i50 s PRO 519 Ca 0.08 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1i50 s PRO 519 Cb -0.04 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.71 1i50 s PRO 519 CO 0.00 -1.30 0.96 0.00 0.04 0.00 0.00 177.00 176.70 1i50 s MET 521 N -0.87 1.19 0.36 0.00 -1.94 -1.25 -4.23 119.30 112.57 1i50 s MET 521 Ca 0.14 -0.24 -0.01 0.00 -1.71 0.00 0.00 55.69 53.87 1i50 s MET 521 Cb 0.09 -1.07 0.00 0.00 2.01 0.00 0.00 34.83 35.86 1i50 s MET 521 CO 0.12 -0.02 0.49 0.20 -0.01 0.00 0.00 175.02 175.79 1i50 s GLY 522 N 0.76 1.62 0.02 -0.03 0.00 -1.26 -4.62 107.32 103.81 1i50 s GLY 522 Ca -0.13 -1.59 -0.29 0.00 0.00 0.00 0.00 44.72 42.71 1i50 s GLY 522 CO 0.02 -1.03 0.93 -0.42 0.00 0.00 0.00 173.10 172.60 1i50 s ILE 523 N -2.92 4.79 0.43 0.90 1.01 -0.96 -4.58 121.20 119.87 1i50 s ILE 523 Ca 0.31 1.97 0.04 0.00 0.00 0.00 0.00 60.65 62.97 1i50 s ILE 523 Cb -0.01 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1i50 s ILE 523 CO 0.22 0.22 0.13 -0.69 0.00 0.00 0.00 174.94 174.82 1i50 s VAL 524 N 0.67 0.59 0.00 2.92 1.01 -1.26 -4.61 120.40 119.71 1i50 s VAL 524 Ca 0.48 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1i50 s VAL 524 Cb -0.21 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1i50 s VAL 524 CO 0.27 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.37 1i50 n GLN 525 N -0.98 0.00 -0.28 2.72 6.02 -1.26 -1.81 117.38 121.79 1i50 n GLN 525 Ca -0.07 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.01 1i50 n GLN 525 Cb 0.65 0.00 0.23 0.00 1.02 0.00 0.00 30.24 32.13 1i50 n GLN 525 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1i50 h ASP 526 N 0.00 -0.18 0.40 1.08 5.19 -1.99 0.23 116.42 121.15 1i50 h ASP 526 Ca 0.00 0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 1i50 h ASP 526 Cb 0.00 0.31 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1i50 h ASP 526 CO 0.00 -0.17 -0.29 0.74 -3.12 0.00 0.00 179.24 176.40 1i50 h THR 527 N 0.15 1.04 0.01 0.35 2.02 -1.76 0.12 112.91 114.84 1i50 h THR 527 Ca 0.49 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1i50 h THR 527 Cb 0.93 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1i50 h THR 527 CO -0.67 0.28 -0.19 0.25 0.37 0.00 0.00 175.52 175.56 1i50 h LEU 528 N 0.00 0.15 -0.90 2.58 5.85 -0.54 -0.97 115.31 121.49 1i50 h LEU 528 Ca -0.00 -0.82 0.01 0.00 0.84 0.00 0.00 57.88 57.91 1i50 h LEU 528 Cb 0.57 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1i50 h LEU 528 CO 0.04 0.96 0.60 0.00 -0.34 0.00 0.00 178.44 179.69 1i50 h GLY 530 N 1.22 0.68 1.72 0.00 0.00 -0.82 -3.06 103.07 102.81 1i50 h GLY 530 Ca 0.33 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.90 1i50 h GLY 530 CO -0.07 0.72 0.10 1.19 0.00 0.00 0.00 176.54 178.48 1i50 h ILE 531 N 0.31 0.93 0.05 2.60 2.10 -0.94 -0.61 117.51 121.96 1i50 h ILE 531 Ca 0.01 -0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 1i50 h ILE 531 Cb 0.99 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 1i50 h ILE 531 CO 0.09 0.00 -0.03 -0.09 -1.08 0.00 0.00 178.15 177.04 1i50 h ARG 532 N 0.01 -0.07 -0.21 2.19 2.43 -1.46 -2.67 114.38 114.60 1i50 h ARG 532 Ca 0.07 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1i50 h ARG 532 Cb 0.26 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1i50 h ARG 532 CO -0.00 0.51 0.17 0.87 -1.51 0.00 0.00 179.97 180.01 1i50 h LYS 533 N -0.73 0.00 0.00 0.20 1.57 -1.33 -1.42 116.57 114.85 1i50 h LYS 533 Ca -0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1i50 h LYS 533 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1i50 h LYS 533 CO 0.01 0.00 -0.84 1.25 -0.57 0.00 0.00 179.45 179.31 1i50 h LEU 534 N 0.00 0.00 -0.10 2.94 5.85 -1.10 -3.32 115.31 119.58 1i50 h LEU 534 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1i50 h LEU 534 Cb 0.44 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1i50 h LEU 534 CO -0.00 0.84 -0.36 0.41 -0.34 0.00 0.00 178.44 178.99 1i50 n THR 535 N -3.55 0.00 -1.15 1.05 -1.04 -0.55 -4.06 114.28 104.98 1i50 n THR 535 Ca -0.01 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.64 1i50 n THR 535 Cb 0.80 0.14 0.11 0.00 -1.82 0.00 0.00 70.33 69.57 1i50 n THR 535 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1i50 n LEU 536 N -1.31 3.53 -0.27 -4.42 4.77 -1.13 -4.66 117.00 113.51 1i50 n LEU 536 Ca 0.08 0.59 -0.06 0.00 -0.03 0.00 0.00 56.01 56.58 1i50 n LEU 536 Cb 0.33 -1.44 0.06 0.00 -2.33 0.00 0.00 43.42 40.04 1i50 n LEU 536 CO 0.31 -2.05 1.08 0.03 -1.33 0.00 0.00 177.39 175.44 1i50 h ARG 537 N -0.76 1.07 0.00 3.23 3.08 -1.94 -2.47 114.38 116.59 1i50 h ARG 537 Ca -0.46 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1i50 h ARG 537 Cb 1.31 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1i50 h ARG 537 CO 0.45 0.83 0.00 -0.25 -1.07 0.00 0.00 179.97 179.93 1i50 n ASP 538 N -4.41 0.00 -4.64 7.04 8.00 -1.26 -4.64 116.55 116.64 1i50 n ASP 538 Ca 0.06 0.43 -0.41 0.00 0.71 0.00 0.00 54.79 55.58 1i50 n ASP 538 Cb 0.13 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 1i50 n ASP 538 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i50 s THR 539 N -2.89 4.93 0.05 -3.53 2.01 -0.93 -5.03 115.64 110.26 1i50 s THR 539 Ca 0.03 1.33 0.05 0.00 0.31 0.00 0.00 61.69 63.41 1i50 s THR 539 Cb 0.03 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1i50 s THR 539 CO 0.07 0.00 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.49 1i50 s PHE 540 N 2.52 1.31 -0.02 4.92 0.40 -1.26 -2.36 117.98 123.49 1i50 s PHE 540 Ca 0.31 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1i50 s PHE 540 Cb -0.16 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 1i50 s PHE 540 CO 0.09 0.06 -0.21 0.42 0.70 0.00 0.00 175.22 176.27 1i50 s ILE 541 N -1.00 1.70 0.41 0.64 1.09 0.10 -4.92 121.20 119.22 1i50 s ILE 541 Ca 0.01 -0.91 -0.07 0.00 -1.10 0.00 0.00 60.65 58.58 1i50 s ILE 541 Cb -0.09 -1.42 -0.05 0.00 -1.06 0.00 0.00 42.46 39.84 1i50 s ILE 541 CO 0.02 0.48 0.73 -1.61 -0.10 0.00 0.00 174.94 174.46 1i50 s GLU 542 N -0.41 3.67 0.26 2.79 2.02 -1.26 -1.29 118.70 124.48 1i50 s GLU 542 Ca 0.06 0.27 -0.10 0.00 0.02 0.00 0.00 54.97 55.22 1i50 s GLU 542 Cb -0.09 -2.44 0.40 0.00 0.10 0.00 0.00 34.13 32.09 1i50 s GLU 542 CO -0.00 -0.04 1.57 1.25 0.02 0.00 0.00 175.26 178.07 1i50 h LEU 543 N 0.99 -0.88 -0.52 1.80 5.85 -2.00 -0.74 115.31 119.81 1i50 h LEU 543 Ca -0.47 0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1i50 h LEU 543 Cb 1.19 0.57 -0.07 0.00 0.37 0.00 0.00 40.66 42.73 1i50 h LEU 543 CO 0.63 -0.30 0.13 -2.24 -0.34 0.00 0.00 178.44 176.33 1i50 h ASP 544 N -0.00 0.07 1.76 1.25 2.03 -1.96 -1.80 116.42 117.77 1i50 h ASP 544 Ca 0.43 0.08 -0.02 0.00 -0.73 0.00 0.00 57.03 56.79 1i50 h ASP 544 Cb 0.66 0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1i50 h ASP 544 CO -0.94 0.06 -0.24 -0.61 -1.03 0.00 0.00 179.24 176.48 1i50 h GLN 545 N 0.28 0.00 -0.13 4.15 4.15 -1.68 -3.30 115.11 118.58 1i50 h GLN 545 Ca 0.26 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 1i50 h GLN 545 Cb 0.34 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1i50 h GLN 545 CO -0.31 0.10 -0.14 0.28 -1.93 0.00 0.00 178.83 176.82 1i50 h VAL 546 N 0.00 1.35 -0.68 2.39 2.07 -0.51 -2.28 116.25 118.59 1i50 h VAL 546 Ca -0.00 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.27 1i50 h VAL 546 Cb 1.09 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1i50 h VAL 546 CO 0.01 0.38 0.45 -0.07 0.02 0.00 0.00 177.57 178.37 1i50 h LEU 547 N -0.06 0.60 -0.15 2.57 3.38 -1.43 0.14 115.31 120.36 1i50 h LEU 547 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1i50 h LEU 547 Cb 0.68 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1i50 h LEU 547 CO 0.03 0.39 -0.06 0.78 0.09 0.00 0.00 178.44 179.67 1i50 h ASN 548 N 0.68 0.32 -0.33 -0.43 2.35 -1.62 -1.49 115.58 115.07 1i50 h ASN 548 Ca 0.30 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1i50 h ASN 548 Cb 0.29 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1i50 h ASN 548 CO -0.10 0.65 0.18 0.24 -1.65 0.00 0.00 177.43 176.75 1i50 h MET 549 N -0.01 0.35 0.17 0.81 2.86 -0.70 -0.09 114.93 118.33 1i50 h MET 549 Ca 0.04 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1i50 h MET 549 Cb 0.52 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1i50 h MET 549 CO 0.02 0.23 -0.29 -0.07 1.06 0.00 0.00 176.91 177.87 1i50 h LEU 550 N 0.36 -0.81 -2.48 1.22 3.38 -0.74 -1.23 115.31 115.03 1i50 h LEU 550 Ca 0.13 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1i50 h LEU 550 Cb 0.02 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1i50 h LEU 550 CO -0.08 -0.39 0.15 0.22 0.09 0.00 0.00 178.44 178.43 1i50 h TYR 551 N -0.54 0.00 -0.03 1.13 3.20 -0.69 -0.02 116.97 120.02 1i50 h TYR 551 Ca 0.02 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 1i50 h TYR 551 Cb 0.54 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1i50 h TYR 551 CO -0.24 0.00 -0.60 -1.49 -1.64 0.00 0.00 178.16 174.19 1i50 h TRP 552 N 0.00 0.14 -3.20 -3.82 4.06 0.23 -3.40 115.95 109.97 1i50 h TRP 552 Ca 0.03 -0.06 -0.56 0.00 2.06 0.00 0.00 58.89 60.36 1i50 h TRP 552 Cb 0.32 -0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.39 1i50 h TRP 552 CO 0.00 0.69 1.03 0.08 -3.56 0.00 0.00 178.44 176.68 1i50 s VAL 553 N -3.70 3.95 0.58 1.49 1.01 -0.02 -4.88 120.40 118.82 1i50 s VAL 553 Ca -0.03 0.89 0.27 0.00 0.00 0.00 0.00 61.98 63.11 1i50 s VAL 553 Cb 0.12 -4.48 0.35 0.00 0.00 0.00 0.00 36.38 32.37 1i50 s VAL 553 CO 0.78 -1.08 2.17 1.55 0.00 0.00 0.00 175.10 178.51 1i50 h PRO 554 N 10.27 0.00 -0.83 2.72 0.13 -1.83 -2.45 132.00 140.01 1i50 h PRO 554 Ca -0.26 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.69 1i50 h PRO 554 Cb 1.08 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.10 1i50 h PRO 554 CO 1.15 0.00 0.23 -0.25 -0.23 0.00 0.00 178.00 178.90 1i50 n ASP 555 N -3.98 4.12 -4.82 1.44 8.00 -1.26 -4.95 116.55 115.10 1i50 n ASP 555 Ca -0.01 -2.94 -0.32 0.00 0.71 0.00 0.00 54.79 52.23 1i50 n ASP 555 Cb 0.20 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 1i50 n ASP 555 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1i50 s TRP 556 N -2.40 3.23 -0.49 1.24 -0.00 -0.93 -5.00 118.94 114.58 1i50 s TRP 556 Ca 0.42 1.49 0.04 0.00 -0.00 0.00 0.00 56.10 58.05 1i50 s TRP 556 Cb 0.34 -2.90 0.41 0.00 -0.00 0.00 0.00 33.47 31.32 1i50 s TRP 556 CO 0.10 -0.73 1.23 -0.40 -0.00 0.00 0.00 176.95 177.15 1i50 n ASP 557 N -1.79 5.08 -1.54 5.86 5.75 -1.26 -4.96 116.55 123.68 1i50 n ASP 557 Ca 0.08 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.12 1i50 n ASP 557 Cb 0.53 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1i50 n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i50 n GLY 558 N -0.49 -0.24 3.18 6.12 0.00 -1.26 -4.84 105.19 107.66 1i50 n GLY 558 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 1i50 n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 559 N -1.20 3.56 -0.19 1.61 1.01 -1.26 -5.05 120.40 118.87 1i50 s VAL 559 Ca 0.00 -1.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.01 1i50 s VAL 559 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1i50 s VAL 559 CO 0.00 -0.50 1.78 -0.63 0.00 0.00 0.00 175.10 175.74 1i50 s ILE 560 N 1.26 3.47 0.37 2.22 1.01 -1.26 -4.94 121.20 123.34 1i50 s ILE 560 Ca 0.04 0.53 -0.28 0.00 0.00 0.00 0.00 60.65 60.94 1i50 s ILE 560 Cb -0.22 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 1i50 s ILE 560 CO -0.01 -0.22 1.37 -2.16 0.00 0.00 0.00 174.94 173.92 1i50 s PRO 561 N 5.01 4.13 0.25 2.79 0.04 -1.26 -4.92 135.00 141.03 1i50 s PRO 561 Ca 0.79 2.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.86 1i50 s PRO 561 Cb -0.28 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 1i50 s PRO 561 CO 0.32 -0.42 1.42 0.99 0.04 0.00 0.00 177.00 179.35 1i50 s THR 562 N -1.17 2.71 0.50 1.26 2.01 -1.26 -4.94 115.64 114.75 1i50 s THR 562 Ca 0.53 0.60 -0.20 0.00 0.31 0.00 0.00 61.69 62.93 1i50 s THR 562 Cb -0.42 -3.38 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1i50 s THR 562 CO 0.55 0.10 0.67 -2.65 -0.69 0.00 0.00 174.62 172.60 1i50 n PRO 563 N 2.28 0.72 0.12 4.92 -0.02 -1.26 -4.86 135.00 136.90 1i50 n PRO 563 Ca 0.06 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1i50 n PRO 563 Cb 0.40 -1.76 0.43 0.00 -0.02 0.00 0.00 33.50 32.56 1i50 n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i50 n ALA 564 N -1.24 2.07 -3.81 3.55 0.00 -1.08 -4.52 120.51 115.47 1i50 n ALA 564 Ca 0.11 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 1i50 n ALA 564 Cb 0.44 -1.45 -0.17 0.00 0.00 0.00 0.00 19.45 18.27 1i50 n ALA 564 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i50 s ILE 565 N -3.18 0.60 -0.17 0.00 1.01 -0.87 -5.01 121.20 113.57 1i50 s ILE 565 Ca 0.08 -0.02 0.14 0.00 0.00 0.00 0.00 60.65 60.86 1i50 s ILE 565 Cb 0.11 -0.71 -0.21 0.00 0.01 0.00 0.00 42.46 41.67 1i50 s ILE 565 CO 0.53 0.30 0.04 -0.38 0.00 0.00 0.00 174.94 175.43 1i50 n ILE 566 N 5.07 1.20 0.00 2.92 5.41 -1.26 -1.78 119.36 130.91 1i50 n ILE 566 Ca -0.09 -0.72 0.00 0.00 1.00 0.00 0.00 62.75 62.94 1i50 n ILE 566 Cb 0.50 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 1i50 n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1i50 n LYS 567 N -2.68 1.89 0.00 0.38 2.85 -1.26 -4.07 118.16 115.27 1i50 n LYS 567 Ca -0.29 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 1i50 n LYS 567 Cb 1.05 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.43 1i50 n LYS 567 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1i50 n PRO 568 N 0.00 0.00 -3.65 -1.58 -0.04 -1.26 -4.43 135.00 124.04 1i50 n PRO 568 Ca 0.00 0.27 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1i50 n PRO 568 Cb 0.00 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 1i50 n PRO 568 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1i50 s LYS 569 N -2.48 0.26 -0.63 0.54 2.20 -1.26 -5.08 119.74 113.28 1i50 s LYS 569 Ca 0.00 0.91 -0.27 0.00 -0.36 0.00 0.00 55.97 56.26 1i50 s LYS 569 Cb 0.00 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1i50 s LYS 569 CO 0.00 -0.27 1.75 -1.25 -0.36 0.00 0.00 175.35 175.21 1i50 s PRO 570 N 2.54 2.74 -0.08 4.03 0.04 -1.26 -4.38 135.00 138.62 1i50 s PRO 570 Ca -0.00 0.45 0.03 0.00 0.04 0.00 0.00 61.00 61.52 1i50 s PRO 570 Cb -0.12 -4.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.06 1i50 s PRO 570 CO -0.11 -2.61 -0.18 -0.51 0.04 0.00 0.00 177.00 173.62 1i50 s LEU 571 N 8.42 2.48 0.10 -3.56 1.02 -0.73 -4.14 118.68 122.26 1i50 s LEU 571 Ca 0.61 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 54.41 1i50 s LEU 571 Cb -0.12 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 1i50 s LEU 571 CO 0.20 0.24 0.19 0.26 0.02 0.00 0.00 176.35 177.26 1i50 s TRP 572 N -0.10 3.40 0.37 0.29 0.51 -0.41 -2.05 118.94 120.95 1i50 s TRP 572 Ca -0.03 0.15 -0.15 0.00 -2.12 0.00 0.00 56.10 53.95 1i50 s TRP 572 Cb -0.14 -1.68 -0.08 0.00 -0.81 0.00 0.00 33.47 30.75 1i50 s TRP 572 CO 0.04 0.55 0.78 0.45 -0.51 0.00 0.00 176.95 178.26 1i50 s SER 573 N -2.72 6.72 0.25 2.95 0.15 -1.26 0.02 113.70 119.80 1i50 s SER 573 Ca 0.33 1.31 -0.04 0.00 0.70 0.00 0.00 55.95 58.25 1i50 s SER 573 Cb -0.12 -2.39 0.29 0.00 -1.71 0.00 0.00 66.02 62.09 1i50 s SER 573 CO 0.26 -0.30 1.79 1.23 1.20 0.00 0.00 173.24 177.43 1i50 h GLY 574 N 1.88 1.05 1.50 9.45 0.00 -1.62 -1.90 103.07 113.43 1i50 h GLY 574 Ca -0.48 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.20 1i50 h GLY 574 CO 0.64 0.57 0.10 0.50 0.00 0.00 0.00 176.54 178.35 1i50 h LYS 575 N 0.94 0.64 -0.19 4.80 1.57 -1.84 -2.96 116.57 119.53 1i50 h LYS 575 Ca 0.20 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1i50 h LYS 575 Cb 0.30 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1i50 h LYS 575 CO -0.00 0.59 -0.02 1.96 -0.57 0.00 0.00 179.45 181.40 1i50 h GLN 576 N 0.62 0.03 -0.15 3.15 4.20 -1.67 -1.97 115.11 119.32 1i50 h GLN 576 Ca 0.14 -0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.66 1i50 h GLN 576 Cb 0.24 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1i50 h GLN 576 CO -0.00 0.02 -0.67 -0.84 -0.67 0.00 0.00 178.83 176.67 1i50 h ILE 577 N 0.03 1.32 -0.72 2.54 3.07 -1.45 -3.02 117.51 119.29 1i50 h ILE 577 Ca 0.09 -1.95 0.02 0.00 1.55 0.00 0.00 64.86 64.57 1i50 h ILE 577 Cb 0.12 1.92 -0.04 0.00 -0.27 0.00 0.00 36.82 38.55 1i50 h ILE 577 CO -0.17 0.61 0.46 0.25 -1.05 0.00 0.00 178.15 178.25 1i50 h LEU 578 N 0.44 0.78 -1.69 0.16 5.85 -1.44 -0.55 115.31 118.85 1i50 h LEU 578 Ca -0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1i50 h LEU 578 Cb 1.26 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1i50 h LEU 578 CO 0.13 0.55 0.41 0.28 -0.34 0.00 0.00 178.44 179.46 1i50 h SER 579 N 0.92 0.00 1.24 1.25 0.02 -1.22 0.60 113.55 116.36 1i50 h SER 579 Ca 0.28 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.15 1i50 h SER 579 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1i50 h SER 579 CO -0.09 0.00 -0.38 0.58 -1.14 0.00 0.00 176.83 175.80 1i50 h VAL 580 N 0.00 0.75 0.00 2.27 2.07 -1.14 -3.08 116.25 117.12 1i50 h VAL 580 Ca 0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1i50 h VAL 580 Cb 0.81 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1i50 h VAL 580 CO 0.00 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1i50 h ALA 581 N 1.62 1.00 -2.81 1.67 0.00 0.12 -3.44 119.26 117.42 1i50 h ALA 581 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1i50 h ALA 581 Cb 1.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1i50 h ALA 581 CO 0.05 0.00 -0.04 0.42 0.00 0.00 0.00 179.25 179.68 1i50 s ILE 582 N -3.25 5.08 0.84 0.00 1.01 -1.16 -4.79 121.20 118.92 1i50 s ILE 582 Ca 0.07 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.77 1i50 s ILE 582 Cb 0.06 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.71 1i50 s ILE 582 CO 0.65 0.33 1.12 -2.16 0.00 0.00 0.00 174.94 174.88 1i50 s PRO 583 N 0.48 1.74 0.44 2.79 0.04 -1.26 -4.84 135.00 134.38 1i50 s PRO 583 Ca 0.31 0.45 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 1i50 s PRO 583 Cb -0.17 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1i50 s PRO 583 CO 0.14 -1.82 1.09 -0.80 0.04 0.00 0.00 177.00 175.65 1i50 s ASN 584 N -4.02 6.45 0.00 6.66 0.01 -1.26 -3.72 114.94 119.06 1i50 s ASN 584 Ca 0.62 2.12 0.00 0.00 -0.71 0.00 0.00 52.86 54.89 1i50 s ASN 584 Cb -0.14 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1i50 s ASN 584 CO 0.53 -0.71 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 1i50 n GLY 585 N 0.28 0.78 3.66 0.66 0.00 -1.26 -4.89 105.19 104.41 1i50 n GLY 585 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1i50 n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i50 s ILE 586 N -2.22 5.30 0.07 -0.61 -1.09 -1.24 -4.87 121.20 116.53 1i50 s ILE 586 Ca 0.00 0.36 0.08 0.00 -2.23 0.00 0.00 60.65 58.86 1i50 s ILE 586 Cb 0.00 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1i50 s ILE 586 CO 0.00 0.30 -0.22 -1.00 -1.23 0.00 0.00 174.94 172.79 1i50 s HIS 587 N 1.24 1.87 -0.28 3.97 3.76 -1.26 -1.20 115.29 123.39 1i50 s HIS 587 Ca 0.11 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.47 1i50 s HIS 587 Cb -0.14 -1.08 0.08 0.00 1.11 0.00 0.00 32.58 32.55 1i50 s HIS 587 CO 0.06 0.15 0.69 -1.17 -0.85 0.00 0.00 174.74 173.62 1i50 s LEU 588 N -1.47 -0.94 -0.03 0.89 2.96 -0.13 -4.93 118.68 115.04 1i50 s LEU 588 Ca 0.08 1.51 0.01 0.00 -0.22 0.00 0.00 54.13 55.51 1i50 s LEU 588 Cb -0.09 2.39 0.01 0.00 0.50 0.00 0.00 46.19 49.00 1i50 s LEU 588 CO 0.03 -0.24 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.67 1i50 s GLN 589 N 1.59 0.67 -0.26 1.98 -0.21 -1.26 -0.81 119.66 121.36 1i50 s GLN 589 Ca -0.10 -0.12 -0.19 0.00 0.02 0.00 0.00 55.36 54.97 1i50 s GLN 589 Cb -0.05 -0.68 0.07 0.00 1.00 0.00 0.00 33.01 33.35 1i50 s GLN 589 CO -0.19 -0.01 0.67 -0.98 -2.12 0.00 0.00 175.29 172.66 1i50 s ARG 590 N 0.57 0.73 -0.16 2.91 1.70 -0.90 -5.00 118.95 118.80 1i50 s ARG 590 Ca -0.07 1.08 -0.02 0.00 -0.47 0.00 0.00 55.73 56.24 1i50 s ARG 590 Cb -0.11 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.50 1i50 s ARG 590 CO -0.00 -0.13 -0.07 -0.06 -1.08 0.00 0.00 175.30 173.96 1i50 s PHE 591 N 1.05 2.93 0.00 5.89 0.40 -1.26 -2.21 117.98 124.79 1i50 s PHE 591 Ca -0.06 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 1i50 s PHE 591 Cb -0.05 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1i50 s PHE 591 CO -0.10 -0.19 0.00 -0.25 0.70 0.00 0.00 175.22 175.38 1i50 n ASP 592 N 3.76 0.00 0.00 1.36 8.00 -1.26 -4.94 116.55 123.47 1i50 n ASP 592 Ca -0.18 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1i50 n ASP 592 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1i50 n ASP 592 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1i50 n GLU 593 N -0.94 0.00 -2.29 -1.24 1.02 -1.26 -2.67 120.64 113.25 1i50 n GLU 593 Ca 0.00 0.44 -0.26 0.00 -0.02 0.00 0.00 57.16 57.33 1i50 n GLU 593 Cb 0.00 -0.69 0.01 0.00 -0.02 0.00 0.00 31.44 30.74 1i50 n GLU 593 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 594 N -0.96 6.17 3.74 0.62 0.00 -1.26 -5.05 105.19 108.45 1i50 n GLY 594 Ca 0.00 -2.73 -0.40 0.00 0.00 0.00 0.00 46.02 42.89 1i50 n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i50 s THR 595 N -5.16 4.79 0.35 2.61 2.01 -1.09 -4.77 115.64 114.38 1i50 s THR 595 Ca 0.49 1.66 0.02 0.00 0.31 0.00 0.00 61.69 64.17 1i50 s THR 595 Cb 0.40 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1i50 s THR 595 CO -0.10 0.32 0.06 0.41 -0.69 0.00 0.00 174.62 174.62 1i50 n THR 596 N 3.08 0.00 1.78 -0.82 -1.04 -1.26 -4.83 114.28 111.19 1i50 n THR 596 Ca -0.01 -1.82 0.02 0.00 -2.04 0.00 0.00 64.05 60.19 1i50 n THR 596 Cb 0.50 0.51 0.10 0.00 -1.82 0.00 0.00 70.33 69.63 1i50 n THR 596 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1i50 n LEU 597 N 0.00 0.00 -0.01 -4.42 4.32 -1.26 -1.22 117.00 114.41 1i50 n LEU 597 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1i50 n LEU 597 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1i50 n LEU 597 CO 0.25 0.00 0.30 0.18 -1.22 0.00 0.00 177.39 176.91 1i50 n LEU 598 N -0.56 0.44 0.00 2.23 4.77 -1.26 -5.07 117.00 117.54 1i50 n LEU 598 Ca 0.03 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1i50 n LEU 598 Cb 0.01 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1i50 n LEU 598 CO 0.02 0.11 0.00 -1.54 -1.33 0.00 0.00 177.39 174.65 1i50 n SER 599 N -0.11 0.00 -0.19 -1.43 3.41 -0.36 -4.73 113.62 110.22 1i50 n SER 599 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1i50 n SER 599 Cb 0.45 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.48 1i50 n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1i50 h PRO 600 N 0.00 0.11 0.00 4.33 0.13 -1.89 0.59 132.00 135.27 1i50 h PRO 600 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1i50 h PRO 600 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1i50 h PRO 600 CO 0.00 0.08 0.00 1.63 -0.23 0.00 0.00 178.00 179.48 1i50 n LYS 601 N -5.26 0.43 -2.25 0.86 5.02 -1.26 -4.78 118.16 110.92 1i50 n LYS 601 Ca 0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 1i50 n LYS 601 Cb 0.32 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1i50 n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1i50 n ASP 602 N -0.71 -5.31 -3.47 4.39 2.03 0.20 -4.90 116.55 108.78 1i50 n ASP 602 Ca 0.04 0.12 -0.28 0.00 0.52 0.00 0.00 54.79 55.19 1i50 n ASP 602 Cb 0.02 -4.49 0.23 0.00 -0.72 0.00 0.00 41.12 36.16 1i50 n ASP 602 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1i50 n ASN 603 N -1.81 -2.00 0.00 1.67 2.85 -1.26 -1.20 115.26 113.52 1i50 n ASN 603 Ca -0.22 -1.12 0.00 0.00 -0.11 0.00 0.00 54.58 53.13 1i50 n ASN 603 Cb 0.66 -0.93 0.00 0.00 1.24 0.00 0.00 39.78 40.75 1i50 n ASN 603 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i50 n GLY 604 N -4.21 0.91 3.64 8.20 0.00 -1.26 -4.08 105.19 108.39 1i50 n GLY 604 Ca 0.14 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 1i50 n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1i50 s MET 605 N 0.00 0.54 -0.26 1.61 1.75 -0.94 -4.25 119.30 117.76 1i50 s MET 605 Ca 0.00 0.84 -0.03 0.00 -1.25 0.00 0.00 55.69 55.26 1i50 s MET 605 Cb 0.00 0.16 0.11 0.00 2.84 0.00 0.00 34.83 37.94 1i50 s MET 605 CO 0.00 -0.10 0.22 -1.17 -0.65 0.00 0.00 175.02 173.32 1i50 s LEU 606 N 1.12 0.02 -0.08 4.11 2.96 -0.75 -2.12 118.68 123.95 1i50 s LEU 606 Ca -0.06 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 1i50 s LEU 606 Cb -0.04 0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.84 1i50 s LEU 606 CO -0.13 -0.38 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.82 1i50 s ILE 607 N 2.27 3.70 -0.07 6.68 1.01 0.01 0.21 121.20 135.01 1i50 s ILE 607 Ca 0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1i50 s ILE 607 Cb -0.15 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.83 1i50 s ILE 607 CO -0.26 0.58 0.06 -0.63 0.00 0.00 0.00 174.94 174.69 1i50 s ILE 608 N -0.57 -0.06 -1.36 2.92 1.01 -0.50 -0.96 121.20 121.69 1i50 s ILE 608 Ca 0.09 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 1i50 s ILE 608 Cb -0.12 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.10 1i50 s ILE 608 CO 0.02 0.10 1.08 -0.67 0.00 0.00 0.00 174.94 175.46 1i50 n ASP 609 N 5.28 -4.89 -1.59 3.58 4.64 -0.70 -2.45 116.55 120.42 1i50 n ASP 609 Ca -0.04 -0.62 -0.13 0.00 -1.38 0.00 0.00 54.79 52.61 1i50 n ASP 609 Cb 0.50 -4.75 0.00 0.00 -1.04 0.00 0.00 41.12 35.83 1i50 n ASP 609 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1i50 n GLY 610 N -1.76 -0.14 2.70 0.27 0.00 -0.34 -4.38 105.19 101.54 1i50 n GLY 610 Ca -0.06 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1i50 n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i50 s GLN 611 N -4.78 0.30 -0.07 1.61 -1.52 -1.03 -4.67 119.66 109.51 1i50 s GLN 611 Ca 0.04 0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.22 1i50 s GLN 611 Cb -0.02 -1.20 -0.04 0.00 -0.22 0.00 0.00 33.01 31.54 1i50 s GLN 611 CO 0.05 -0.44 1.37 -1.50 -0.25 0.00 0.00 175.29 174.52 1i50 s ILE 612 N 2.05 3.95 -0.12 1.08 2.07 -1.26 -1.40 121.20 127.56 1i50 s ILE 612 Ca 0.03 1.24 0.01 0.00 -1.41 0.00 0.00 60.65 60.53 1i50 s ILE 612 Cb -0.14 -3.80 -0.24 0.00 0.13 0.00 0.00 42.46 38.41 1i50 s ILE 612 CO -0.06 -0.05 0.36 -0.38 -1.91 0.00 0.00 174.94 172.90 1i50 n ILE 613 N 5.00 1.68 -3.51 2.00 5.41 0.13 -4.85 119.36 125.22 1i50 n ILE 613 Ca 0.14 -0.70 -0.15 0.00 1.00 0.00 0.00 62.75 63.04 1i50 n ILE 613 Cb 0.44 -1.44 -0.05 0.00 -0.71 0.00 0.00 39.64 37.88 1i50 n ILE 613 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1i50 s PHE 614 N -2.56 -0.58 0.00 1.39 -0.12 -1.16 -4.99 117.98 109.95 1i50 s PHE 614 Ca -0.18 0.87 0.00 0.00 -0.05 0.00 0.00 56.93 57.56 1i50 s PHE 614 Cb 0.07 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1i50 s PHE 614 CO 0.77 -0.61 0.00 0.41 -0.05 0.00 0.00 175.22 175.74 1i50 n GLY 615 N 0.60 2.40 3.76 1.99 0.00 -1.25 -1.80 105.19 110.88 1i50 n GLY 615 Ca -0.17 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1i50 n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 616 N -1.15 3.24 -0.45 1.61 1.01 -0.34 -4.93 120.40 119.40 1i50 s VAL 616 Ca 0.00 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.97 1i50 s VAL 616 Cb 0.00 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1i50 s VAL 616 CO 0.00 0.23 0.59 -0.69 0.00 0.00 0.00 175.10 175.24 1i50 s VAL 617 N -1.24 4.89 0.00 2.92 1.01 -1.26 -4.92 120.40 121.80 1i50 s VAL 617 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1i50 s VAL 617 Cb -0.33 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.86 1i50 s VAL 617 CO 0.42 -0.60 0.00 -1.84 0.00 0.00 0.00 175.10 173.08 1i50 n GLU 618 N 6.10 0.98 -0.32 2.72 -0.00 -1.26 -3.14 120.64 125.71 1i50 n GLU 618 Ca -0.04 0.00 0.19 0.00 -0.00 0.00 0.00 57.16 57.31 1i50 n GLU 618 Cb 0.47 0.00 0.44 0.00 -0.00 0.00 0.00 31.44 32.35 1i50 n GLU 618 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1i50 h LYS 619 N 0.00 0.51 0.00 3.44 3.64 -1.75 0.27 116.57 122.69 1i50 h LYS 619 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1i50 h LYS 619 Cb 0.00 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1i50 h LYS 619 CO 0.00 0.34 -0.13 0.87 -2.27 0.00 0.00 179.45 178.25 1i50 h LYS 620 N 0.52 0.00 0.00 1.90 1.57 -1.95 -0.27 116.57 118.35 1i50 h LYS 620 Ca 0.58 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.93 1i50 h LYS 620 Cb 1.25 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.49 1i50 h LYS 620 CO -0.32 0.13 -2.51 2.41 -0.57 0.00 0.00 179.45 178.59 1i50 n THR 621 N -3.64 1.49 0.43 -0.16 -1.04 -0.07 -4.53 114.28 106.76 1i50 n THR 621 Ca -0.02 -0.46 0.09 0.00 -2.04 0.00 0.00 64.05 61.62 1i50 n THR 621 Cb 0.26 -1.68 0.12 0.00 -1.82 0.00 0.00 70.33 67.21 1i50 n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1i50 n VAL 622 N -3.82 0.29 -0.77 12.58 3.14 -0.29 -0.63 118.33 128.83 1i50 n VAL 622 Ca -0.51 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 60.23 1i50 n VAL 622 Cb 0.93 1.11 0.00 0.00 -1.06 0.00 0.00 33.84 34.82 1i50 n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1i50 n GLY 623 N 1.00 -0.69 0.79 7.55 0.00 -0.11 -2.26 105.19 111.47 1i50 n GLY 623 Ca 0.12 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1i50 n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i50 n SER 624 N -1.73 2.15 -4.47 1.61 3.41 -1.26 -4.65 113.62 108.69 1i50 n SER 624 Ca 0.00 -2.21 -0.32 0.00 -0.26 0.00 0.00 58.87 56.08 1i50 n SER 624 Cb 0.00 -0.43 0.13 0.00 -0.26 0.00 0.00 64.21 63.66 1i50 n SER 624 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i50 n SER 625 N 0.21 -1.53 0.00 4.04 3.41 -1.26 -4.15 113.62 114.34 1i50 n SER 625 Ca 0.09 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1i50 n SER 625 Cb 0.45 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1i50 n SER 625 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i50 n ASN 626 N -2.03 0.00 0.00 4.04 3.02 -1.26 -3.44 115.26 115.59 1i50 n ASN 626 Ca 0.08 0.13 0.01 0.00 -0.03 0.00 0.00 54.58 54.77 1i50 n ASN 626 Cb 0.53 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.79 1i50 n ASN 626 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i50 n GLY 627 N -0.19 -0.82 3.04 7.41 0.00 -1.26 -4.54 105.19 108.82 1i50 n GLY 627 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1i50 n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i50 n GLY 628 N 0.36 -2.67 0.28 -0.02 0.00 -1.22 -4.51 105.19 97.41 1i50 n GLY 628 Ca 0.02 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1i50 n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i50 h LEU 629 N -2.87 0.00 0.12 0.99 5.85 -1.17 -2.14 115.31 116.09 1i50 h LEU 629 Ca -0.25 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.19 1i50 h LEU 629 Cb 0.81 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.85 1i50 h LEU 629 CO 0.16 0.00 -1.26 0.40 -0.34 0.00 0.00 178.44 177.39 1i50 h ILE 630 N 0.00 1.44 -0.10 4.05 2.04 -1.84 -1.50 117.51 121.60 1i50 h ILE 630 Ca 0.05 -2.91 -0.00 0.00 1.00 0.00 0.00 64.86 62.99 1i50 h ILE 630 Cb 0.19 2.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1i50 h ILE 630 CO -0.00 0.86 0.04 -0.74 0.00 0.00 0.00 178.15 178.31 1i50 h HIS 631 N 0.11 0.15 0.91 1.37 2.76 -1.72 -2.27 115.15 116.46 1i50 h HIS 631 Ca -0.15 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 57.96 1i50 h HIS 631 Cb 1.97 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 30.89 1i50 h HIS 631 CO 0.08 0.23 -0.44 0.28 -1.30 0.00 0.00 177.93 176.78 1i50 h VAL 632 N 0.02 0.00 -0.90 5.26 2.07 -1.45 -2.41 116.25 118.84 1i50 h VAL 632 Ca 0.03 -0.03 0.20 0.00 0.82 0.00 0.00 66.70 67.73 1i50 h VAL 632 Cb 0.14 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.80 1i50 h VAL 632 CO -0.00 0.00 0.43 0.58 0.02 0.00 0.00 177.57 178.59 1i50 h VAL 633 N -1.25 0.55 0.40 2.57 2.07 -1.31 0.12 116.25 119.39 1i50 h VAL 633 Ca -0.13 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1i50 h VAL 633 Cb 0.94 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1i50 h VAL 633 CO 0.21 0.09 -0.25 0.74 0.02 0.00 0.00 177.57 178.37 1i50 h THR 634 N 0.48 0.00 -0.93 2.57 2.02 -1.31 0.34 112.91 116.08 1i50 h THR 634 Ca 0.54 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.85 1i50 h THR 634 Cb 0.96 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 1i50 h THR 634 CO -0.48 0.00 0.55 0.03 0.37 0.00 0.00 175.52 176.00 1i50 h ARG 635 N -0.61 0.82 0.21 6.66 2.47 -0.97 0.64 114.38 123.60 1i50 h ARG 635 Ca -0.05 -0.05 -0.29 0.00 -1.26 0.00 0.00 59.98 58.33 1i50 h ARG 635 Cb 0.50 -0.18 0.03 0.00 -1.65 0.00 0.00 29.97 28.66 1i50 h ARG 635 CO 0.05 0.54 -1.27 1.49 0.56 0.00 0.00 179.97 181.34 1i50 h GLU 636 N 0.84 0.45 0.00 0.04 4.57 -0.71 -3.39 114.58 116.39 1i50 h GLU 636 Ca 0.48 -0.77 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1i50 h GLU 636 Cb 0.54 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1i50 h GLU 636 CO -0.30 1.37 -1.07 1.63 -1.18 0.00 0.00 179.01 179.47 1i50 n LYS 637 N -3.85 1.55 0.00 1.92 4.76 0.12 -5.07 118.16 117.58 1i50 n LYS 637 Ca -0.16 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 1i50 n LYS 637 Cb 1.01 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 1i50 n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i50 n GLY 638 N 1.46 2.28 0.21 0.72 0.00 0.22 -4.58 105.19 105.51 1i50 n GLY 638 Ca 0.01 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 1i50 n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i50 h PRO 639 N 0.00 0.02 -0.35 1.61 0.13 -1.87 -2.63 132.00 128.92 1i50 h PRO 639 Ca 0.00 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1i50 h PRO 639 Cb 0.00 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 1i50 h PRO 639 CO 0.00 0.01 0.20 1.96 -0.23 0.00 0.00 178.00 179.94 1i50 h GLN 640 N 0.02 0.40 -0.83 0.86 4.20 -1.89 -1.17 115.11 116.71 1i50 h GLN 640 Ca 0.26 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.96 1i50 h GLN 640 Cb 0.41 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1i50 h GLN 640 CO -0.54 0.26 0.55 0.28 -0.67 0.00 0.00 178.83 178.71 1i50 h VAL 641 N 0.41 1.20 -0.61 -0.54 2.07 -1.76 -1.56 116.25 115.46 1i50 h VAL 641 Ca 0.14 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1i50 h VAL 641 Cb 0.01 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1i50 h VAL 641 CO -0.07 0.20 0.05 0.00 0.02 0.00 0.00 177.57 177.78 1i50 h ALA 643 N 1.01 0.79 -0.33 0.00 0.00 -0.65 -1.41 119.26 118.65 1i50 h ALA 643 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1i50 h ALA 643 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i50 h ALA 643 CO 0.02 0.29 -0.02 -0.22 0.00 0.00 0.00 179.25 179.32 1i50 h LYS 644 N 0.83 0.53 -0.36 0.00 1.63 -1.03 -2.91 116.57 115.27 1i50 h LYS 644 Ca 0.22 -0.12 0.06 0.00 -0.85 0.00 0.00 60.65 59.96 1i50 h LYS 644 Cb 0.03 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.53 1i50 h LYS 644 CO -0.04 0.57 0.02 1.25 -3.45 0.00 0.00 179.45 177.80 1i50 h LEU 645 N 0.50 -0.11 -0.48 5.20 5.85 0.03 -1.08 115.31 125.22 1i50 h LEU 645 Ca 0.11 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1i50 h LEU 645 Cb 0.36 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1i50 h LEU 645 CO 0.01 -0.02 0.05 -0.26 -0.34 0.00 0.00 178.44 177.88 1i50 h PHE 646 N 0.12 0.06 -0.43 1.25 -1.00 -1.27 -1.57 116.94 114.10 1i50 h PHE 646 Ca 0.18 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.94 1i50 h PHE 646 Cb 0.23 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1i50 h PHE 646 CO -0.24 -0.06 0.08 0.78 -1.61 0.00 0.00 178.31 177.27 1i50 h GLY 647 N 0.17 0.75 1.00 -1.45 0.00 -1.45 -0.66 103.07 101.42 1i50 h GLY 647 Ca 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1i50 h GLY 647 CO -0.36 0.45 0.31 3.43 0.00 0.00 0.00 176.54 180.37 1i50 h ASN 648 N 0.56 0.56 -0.32 0.19 2.35 -0.88 0.44 115.58 118.48 1i50 h ASN 648 Ca 0.13 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1i50 h ASN 648 Cb 0.35 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1i50 h ASN 648 CO 0.01 0.42 0.08 0.40 -1.65 0.00 0.00 177.43 176.68 1i50 h ILE 649 N 0.65 1.22 -0.36 2.81 2.04 -1.21 -2.50 117.51 120.16 1i50 h ILE 649 Ca 0.18 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1i50 h ILE 649 Cb -0.06 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1i50 h ILE 649 CO -0.04 0.25 0.16 1.56 0.00 0.00 0.00 178.15 180.08 1i50 h GLN 650 N 0.36 0.32 -0.71 2.37 4.20 -0.80 -1.73 115.11 119.11 1i50 h GLN 650 Ca 0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1i50 h GLN 650 Cb 0.30 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1i50 h GLN 650 CO 0.00 0.21 0.37 0.87 -0.67 0.00 0.00 178.83 179.61 1i50 h LYS 651 N 0.33 1.00 0.40 1.46 1.57 -0.76 0.13 116.57 120.70 1i50 h LYS 651 Ca 0.16 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1i50 h LYS 651 Cb 0.10 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1i50 h LYS 651 CO -0.14 0.75 -0.19 0.28 -0.57 0.00 0.00 179.45 179.58 1i50 h VAL 652 N 1.00 0.11 -0.22 0.50 2.07 -1.14 -2.78 116.25 115.80 1i50 h VAL 652 Ca 0.25 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1i50 h VAL 652 Cb 0.06 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1i50 h VAL 652 CO -0.04 0.03 -0.02 0.58 0.02 0.00 0.00 177.57 178.14 1i50 h VAL 653 N -1.11 0.82 -0.57 2.57 2.07 -1.33 0.14 116.25 118.84 1i50 h VAL 653 Ca -0.05 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1i50 h VAL 653 Cb 0.45 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1i50 h VAL 653 CO 0.09 0.01 0.39 0.78 0.02 0.00 0.00 177.57 178.85 1i50 h ASN 654 N 0.04 0.33 -0.05 0.57 2.35 -0.86 0.46 115.58 118.41 1i50 h ASN 654 Ca 0.10 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1i50 h ASN 654 Cb 0.14 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1i50 h ASN 654 CO -0.19 0.20 -0.21 0.15 -1.65 0.00 0.00 177.43 175.73 1i50 h PHE 655 N 0.36 0.30 0.00 1.19 3.57 -1.01 -1.57 116.94 119.79 1i50 h PHE 655 Ca 0.27 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1i50 h PHE 655 Cb 0.56 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1i50 h PHE 655 CO -0.00 0.84 -0.05 2.35 -2.23 0.00 0.00 178.31 179.22 1i50 h TRP 656 N -0.32 0.00 0.00 0.41 7.01 0.81 -2.52 115.95 121.34 1i50 h TRP 656 Ca -0.01 0.00 -0.26 0.00 2.11 0.00 0.00 58.89 60.73 1i50 h TRP 656 Cb 0.86 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.87 1i50 h TRP 656 CO 0.14 0.05 -1.48 1.25 -2.79 0.00 0.00 178.44 175.61 1i50 h LEU 657 N 0.00 0.00 -1.36 0.65 5.85 -0.06 -2.97 115.31 117.42 1i50 h LEU 657 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1i50 h LEU 657 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1i50 h LEU 657 CO 0.01 0.95 -0.31 0.25 -0.34 0.00 0.00 178.44 179.00 1i50 h LEU 658 N 0.00 0.02 -1.89 2.25 5.85 -0.84 0.18 115.31 120.88 1i50 h LEU 658 Ca -0.20 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1i50 h LEU 658 Cb 1.90 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1i50 h LEU 658 CO 0.09 0.33 0.00 1.41 -0.34 0.00 0.00 178.44 179.93 1i50 n HIS 659 N -4.17 0.04 -0.07 1.25 8.25 -1.14 -4.38 115.22 115.01 1i50 n HIS 659 Ca -0.02 -0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 1i50 n HIS 659 Cb 0.36 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 1i50 n HIS 659 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1i50 n ASN 660 N 1.26 2.77 -0.04 0.41 5.15 -1.05 -5.10 115.26 118.65 1i50 n ASN 660 Ca 0.13 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1i50 n ASN 660 Cb 0.56 -0.23 -0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1i50 n ASN 660 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i50 n GLY 661 N 2.80 -2.70 3.60 8.20 0.00 0.62 -5.08 105.19 112.63 1i50 n GLY 661 Ca -0.24 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 1i50 n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i50 s PHE 662 N -3.37 -0.75 0.30 1.61 5.36 -1.26 -5.04 117.98 114.83 1i50 s PHE 662 Ca 0.00 1.71 -0.07 0.00 -0.96 0.00 0.00 56.93 57.61 1i50 s PHE 662 Cb 0.00 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1i50 s PHE 662 CO 0.00 -0.44 0.52 0.45 -1.46 0.00 0.00 175.22 174.29 1i50 n SER 663 N 2.23 -1.49 -3.63 6.13 2.88 -1.26 -5.18 113.62 113.29 1i50 n SER 663 Ca -0.15 -2.39 -0.14 0.00 -1.33 0.00 0.00 58.87 54.85 1i50 n SER 663 Cb 0.56 2.58 -0.07 0.00 -0.75 0.00 0.00 64.21 66.53 1i50 n SER 663 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1i50 s THR 664 N -2.50 0.00 0.14 2.46 2.01 -1.26 -4.76 115.64 111.73 1i50 s THR 664 Ca 0.18 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1i50 s THR 664 Cb -0.02 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1i50 s THR 664 CO 0.13 -0.00 0.17 0.61 -0.69 0.00 0.00 174.62 174.84 1i50 n GLY 665 N 2.57 2.99 0.34 4.40 0.00 -1.26 -5.02 105.19 109.21 1i50 n GLY 665 Ca -0.14 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.42 1i50 n GLY 665 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i50 h ILE 666 N 1.42 0.94 -0.95 -0.61 2.04 -2.03 -1.85 117.51 116.47 1i50 h ILE 666 Ca -0.11 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 65.80 1i50 h ILE 666 Cb 0.48 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 36.92 1i50 h ILE 666 CO 0.15 0.08 0.54 1.23 0.00 0.00 0.00 178.15 180.15 1i50 h GLY 667 N 0.44 1.68 2.00 5.37 0.00 -1.97 -0.68 103.07 109.91 1i50 h GLY 667 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1i50 h GLY 667 CO -0.07 -0.11 0.00 -0.55 0.00 0.00 0.00 176.54 175.81 1i50 h ASP 668 N 0.66 0.00 -0.58 0.19 3.32 -1.74 -2.37 116.42 115.91 1i50 h ASP 668 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 1i50 h ASP 668 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1i50 h ASP 668 CO -0.41 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.46 1i50 n THR 669 N -2.33 0.80 -3.60 0.35 -2.24 -0.26 -4.77 114.28 102.23 1i50 n THR 669 Ca 0.00 -0.90 -0.38 0.00 -2.27 0.00 0.00 64.05 60.51 1i50 n THR 669 Cb 0.16 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 1i50 n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1i50 s ILE 670 N -1.18 5.32 0.07 2.28 1.01 -0.89 -4.43 121.20 123.37 1i50 s ILE 670 Ca 0.43 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.21 1i50 s ILE 670 Cb 0.24 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 1i50 s ILE 670 CO 0.32 0.28 0.37 0.00 0.00 0.00 0.00 174.94 175.90 1i50 s ALA 671 N 1.52 3.76 0.11 9.38 0.00 -1.26 -4.98 121.76 130.28 1i50 s ALA 671 Ca 0.08 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 1i50 s ALA 671 Cb -0.15 -2.21 -0.13 0.00 0.00 0.00 0.00 23.12 20.62 1i50 s ALA 671 CO 0.09 0.60 0.50 -3.47 0.00 0.00 0.00 175.76 173.47 1i50 n ASP 672 N 0.85 -0.71 -0.19 0.00 -0.08 -1.26 -4.50 116.55 110.66 1i50 n ASP 672 Ca -0.08 0.86 -0.01 0.00 -1.51 0.00 0.00 54.79 54.05 1i50 n ASP 672 Cb 0.52 -0.71 0.08 0.00 2.34 0.00 0.00 41.12 43.35 1i50 n ASP 672 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1i50 h GLY 673 N 1.13 0.56 1.41 0.27 0.00 -2.00 0.18 103.07 104.62 1i50 h GLY 673 Ca -0.25 0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 1i50 h GLY 673 CO 0.45 -0.19 -0.26 -0.56 0.00 0.00 0.00 176.54 175.98 1i50 h PRO 674 N 0.09 0.68 -0.52 4.80 0.13 -2.00 -2.99 132.00 132.19 1i50 h PRO 674 Ca 0.29 -0.28 0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1i50 h PRO 674 Cb 0.46 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 1i50 h PRO 674 CO -0.51 0.87 0.30 1.15 -0.23 0.00 0.00 178.00 179.59 1i50 h THR 675 N 0.59 1.03 -0.14 1.56 2.02 -1.25 -0.19 112.91 116.54 1i50 h THR 675 Ca 0.08 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1i50 h THR 675 Cb 0.75 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1i50 h THR 675 CO 0.06 0.11 0.10 0.24 0.37 0.00 0.00 175.52 176.40 1i50 h MET 676 N 0.59 0.03 0.01 6.66 2.86 -0.61 0.27 114.93 124.75 1i50 h MET 676 Ca 0.21 -0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.61 1i50 h MET 676 Cb 0.05 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.71 1i50 h MET 676 CO -0.11 0.02 -0.99 -0.09 1.06 0.00 0.00 176.91 176.80 1i50 h ARG 677 N 0.03 0.47 0.00 1.72 2.43 -1.03 -0.70 114.38 117.31 1i50 h ARG 677 Ca 0.06 -0.52 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1i50 h ARG 677 Cb 0.22 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1i50 h ARG 677 CO -0.00 1.17 -0.29 1.49 -1.51 0.00 0.00 179.97 180.82 1i50 h GLU 678 N 0.26 0.00 0.02 0.20 4.81 0.24 -2.15 114.58 117.96 1i50 h GLU 678 Ca -0.10 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1i50 h GLU 678 Cb 1.64 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.04 1i50 h GLU 678 CO 0.18 0.29 -0.71 0.82 -0.73 0.00 0.00 179.01 178.86 1i50 h ILE 679 N 0.00 1.41 -0.60 2.32 2.04 -0.76 -2.37 117.51 119.55 1i50 h ILE 679 Ca -0.00 -2.17 -0.06 0.00 1.00 0.00 0.00 64.86 63.62 1i50 h ILE 679 Cb 0.57 2.65 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 1i50 h ILE 679 CO 0.04 0.64 0.14 0.74 0.00 0.00 0.00 178.15 179.70 1i50 h THR 680 N -0.06 1.24 -0.35 -0.27 2.02 -0.92 -2.40 112.91 112.17 1i50 h THR 680 Ca -0.10 -0.90 -0.16 0.00 0.77 0.00 0.00 66.41 66.03 1i50 h THR 680 Cb 1.43 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1i50 h THR 680 CO 0.14 0.34 -0.40 -0.33 0.37 0.00 0.00 175.52 175.64 1i50 h GLU 681 N 0.90 0.86 -0.62 6.66 5.08 -1.47 -0.84 114.58 125.15 1i50 h GLU 681 Ca 0.19 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1i50 h GLU 681 Cb 0.34 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1i50 h GLU 681 CO 0.00 1.10 0.41 1.15 -1.00 0.00 0.00 179.01 180.67 1i50 h THR 682 N 0.70 1.16 0.20 1.13 2.02 -1.13 0.26 112.91 117.25 1i50 h THR 682 Ca 0.06 -0.29 -0.32 0.00 0.77 0.00 0.00 66.41 66.63 1i50 h THR 682 Cb 0.98 0.24 0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1i50 h THR 682 CO 0.09 0.15 -1.37 0.40 0.37 0.00 0.00 175.52 175.17 1i50 h ILE 683 N 0.84 1.29 -0.24 3.11 2.04 -1.32 -2.96 117.51 120.27 1i50 h ILE 683 Ca 0.23 -2.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.48 1i50 h ILE 683 Cb -0.09 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1i50 h ILE 683 CO -0.05 0.78 0.08 0.00 0.00 0.00 0.00 178.15 178.96 1i50 h ALA 684 N 0.20 1.70 -0.02 1.87 0.00 -0.52 0.12 119.26 122.61 1i50 h ALA 684 Ca -0.23 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1i50 h ALA 684 Cb 2.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1i50 h ALA 684 CO 0.26 0.24 -0.53 1.49 0.00 0.00 0.00 179.25 180.71 1i50 h GLU 685 N 0.33 0.05 -0.22 0.00 4.81 -0.50 -2.78 114.58 116.27 1i50 h GLU 685 Ca 0.08 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1i50 h GLU 685 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1i50 h GLU 685 CO -0.01 0.57 -0.42 0.00 -0.73 0.00 0.00 179.01 178.43 1i50 h ALA 686 N 1.43 0.34 0.00 2.92 0.00 -0.67 -2.83 119.26 120.45 1i50 h ALA 686 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i50 h ALA 686 Cb 0.95 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1i50 h ALA 686 CO 0.07 0.46 -0.01 0.87 0.00 0.00 0.00 179.25 180.64 1i50 h LYS 687 N 0.37 0.00 0.01 0.00 1.57 -0.94 -2.09 116.57 115.49 1i50 h LYS 687 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1i50 h LYS 687 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1i50 h LYS 687 CO 0.09 0.01 -0.00 0.87 -0.57 0.00 0.00 179.45 179.85 1i50 h LYS 688 N 0.00 -0.01 -0.98 3.15 1.57 -1.34 -1.83 116.57 117.13 1i50 h LYS 688 Ca -0.00 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1i50 h LYS 688 Cb 0.24 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 1i50 h LYS 688 CO 0.00 0.84 0.61 0.87 -0.57 0.00 0.00 179.45 181.21 1i50 h LYS 689 N -0.92 0.75 -0.33 3.15 1.57 -1.26 0.15 116.57 119.69 1i50 h LYS 689 Ca -0.00 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1i50 h LYS 689 Cb 0.85 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1i50 h LYS 689 CO 0.00 0.50 -0.42 0.28 -0.57 0.00 0.00 179.45 179.24 1i50 h VAL 690 N 0.77 1.28 -0.51 0.50 2.07 -1.43 -2.56 116.25 116.37 1i50 h VAL 690 Ca 0.54 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 1i50 h VAL 690 Cb 0.82 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1i50 h VAL 690 CO -0.31 0.52 -0.02 0.25 0.02 0.00 0.00 177.57 178.03 1i50 h LEU 691 N 0.67 0.85 0.26 2.57 5.85 0.04 -2.54 115.31 123.00 1i50 h LEU 691 Ca 0.05 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1i50 h LEU 691 Cb 0.99 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1i50 h LEU 691 CO 0.10 0.92 -0.12 0.44 -0.34 0.00 0.00 178.44 179.43 1i50 h ASP 692 N 0.81 -0.29 -0.49 1.25 3.32 -0.76 -2.11 116.42 118.15 1i50 h ASP 692 Ca 0.15 -0.17 0.14 0.00 0.02 0.00 0.00 57.03 57.17 1i50 h ASP 692 Cb 0.51 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1i50 h ASP 692 CO 0.03 0.02 0.36 0.58 -1.72 0.00 0.00 179.24 178.51 1i50 h VAL 693 N -0.62 0.71 0.19 -1.35 2.07 -1.42 0.15 116.25 115.99 1i50 h VAL 693 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1i50 h VAL 693 Cb 0.44 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1i50 h VAL 693 CO 0.06 0.00 -0.09 0.74 0.02 0.00 0.00 177.57 178.30 1i50 h THR 694 N 0.00 0.90 -0.96 2.57 2.02 -1.18 0.51 112.91 116.77 1i50 h THR 694 Ca 0.23 -0.80 0.09 0.00 0.77 0.00 0.00 66.41 66.70 1i50 h THR 694 Cb 0.96 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 68.65 1i50 h THR 694 CO -0.00 0.17 0.62 0.11 0.37 0.00 0.00 175.52 176.79 1i50 h LYS 695 N -0.68 1.00 0.53 6.66 1.57 -0.59 0.40 116.57 125.46 1i50 h LYS 695 Ca -0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1i50 h LYS 695 Cb 0.48 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1i50 h LYS 695 CO 0.04 0.66 -0.34 1.49 -0.57 0.00 0.00 179.45 180.73 1i50 h GLU 696 N 1.03 -0.81 -0.91 3.15 4.81 -0.60 -1.33 114.58 119.92 1i50 h GLU 696 Ca 0.44 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.78 1i50 h GLU 696 Cb 0.32 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1i50 h GLU 696 CO -0.19 -0.54 0.59 0.00 -0.73 0.00 0.00 179.01 178.14 1i50 h ALA 697 N -0.45 1.48 0.00 2.92 0.00 0.29 -1.64 119.26 121.86 1i50 h ALA 697 Ca -0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1i50 h ALA 697 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1i50 h ALA 697 CO 0.05 0.40 -0.28 1.96 0.00 0.00 0.00 179.25 181.38 1i50 h GLN 698 N 1.07 0.00 0.00 0.00 4.20 0.08 -1.71 115.11 118.75 1i50 h GLN 698 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1i50 h GLN 698 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1i50 h GLN 698 CO -0.13 0.28 -0.43 0.00 -0.67 0.00 0.00 178.83 177.88 1i50 h ALA 699 N 1.72 0.74 -0.56 3.87 0.00 -0.51 -3.48 119.26 121.04 1i50 h ALA 699 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i50 h ALA 699 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1i50 h ALA 699 CO 0.04 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.58 1i50 n ASN 700 N -2.41 -1.46 0.00 0.00 5.15 -0.64 -4.99 115.26 110.91 1i50 n ASN 700 Ca 0.03 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.12 1i50 n ASN 700 Cb 0.47 -0.45 -0.09 0.00 -0.53 0.00 0.00 39.78 39.18 1i50 n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1i50 n LEU 701 N -0.28 0.91 -4.75 1.20 4.77 -0.75 -4.95 117.00 113.16 1i50 n LEU 701 Ca 0.00 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 1i50 n LEU 701 Cb 0.45 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1i50 n LEU 701 CO 0.00 0.23 0.82 -0.76 -1.33 0.00 0.00 177.39 176.34 1i50 s LEU 702 N -3.08 4.50 -0.16 2.23 1.43 -1.26 -4.98 118.68 117.36 1i50 s LEU 702 Ca 0.07 2.20 -0.06 0.00 -1.03 0.00 0.00 54.13 55.31 1i50 s LEU 702 Cb 0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1i50 s LEU 702 CO 0.86 -0.23 0.06 -0.89 0.23 0.00 0.00 176.35 176.37 1i50 s THR 703 N -0.53 4.81 0.35 5.49 2.01 -1.26 -5.02 115.64 121.48 1i50 s THR 703 Ca 0.48 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 1i50 s THR 703 Cb -0.31 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 1i50 s THR 703 CO 0.38 0.50 1.13 0.00 -0.69 0.00 0.00 174.62 175.94 1i50 s ALA 704 N -0.01 3.26 0.04 7.40 0.00 -1.26 -5.00 121.76 126.19 1i50 s ALA 704 Ca 0.06 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1i50 s ALA 704 Cb -0.12 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1i50 s ALA 704 CO 0.01 -0.34 0.88 0.15 0.00 0.00 0.00 175.76 176.45 1i50 s LYS 705 N -1.99 4.57 0.11 0.00 1.02 -1.26 -4.95 119.74 117.25 1i50 s LYS 705 Ca 0.52 1.26 -0.22 0.00 0.02 0.00 0.00 55.97 57.55 1i50 s LYS 705 Cb -0.30 -3.41 -0.13 0.00 -0.52 0.00 0.00 37.83 33.48 1i50 s LYS 705 CO 0.39 0.14 0.46 1.58 -0.92 0.00 0.00 175.35 176.99 1i50 n HIS 706 N 3.24 -0.17 -3.30 3.18 -0.00 -1.26 -0.71 115.22 116.21 1i50 n HIS 706 Ca 0.02 0.71 -0.23 0.00 -0.00 0.00 0.00 57.72 58.21 1i50 n HIS 706 Cb 0.50 -1.42 0.05 0.00 -0.00 0.00 0.00 29.99 29.13 1i50 n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1i50 n GLY 707 N 1.35 -0.53 3.44 1.57 0.00 -1.26 -4.97 105.19 104.78 1i50 n GLY 707 Ca 0.13 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 1i50 n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i50 s MET 708 N -6.00 0.91 0.42 1.61 1.00 0.11 -5.00 119.30 112.36 1i50 s MET 708 Ca 0.44 0.18 -0.08 0.00 0.00 0.00 0.00 55.69 56.23 1i50 s MET 708 Cb -0.19 0.42 -0.05 0.00 0.00 0.00 0.00 34.83 35.01 1i50 s MET 708 CO 0.54 -0.26 0.75 0.99 0.00 0.00 0.00 175.02 177.04 1i50 s THR 709 N -1.09 4.87 0.10 2.05 2.01 -1.26 -4.29 115.64 118.03 1i50 s THR 709 Ca -0.11 0.37 -0.35 0.00 0.31 0.00 0.00 61.69 61.91 1i50 s THR 709 Cb -0.02 -3.79 -0.15 0.00 0.01 0.00 0.00 72.50 68.55 1i50 s THR 709 CO 0.07 -0.63 1.56 -0.07 -0.69 0.00 0.00 174.62 174.86 1i50 h LEU 710 N 0.88 -1.49 -0.93 4.42 4.07 -1.95 0.41 115.31 120.72 1i50 h LEU 710 Ca -0.47 0.14 0.10 0.00 0.08 0.00 0.00 57.88 57.73 1i50 h LEU 710 Cb 1.20 0.53 -0.08 0.00 1.08 0.00 0.00 40.66 43.39 1i50 h LEU 710 CO 0.63 -0.60 0.57 0.03 -1.08 0.00 0.00 178.44 177.99 1i50 h ARG 711 N -0.85 0.91 -0.03 1.13 3.08 -1.98 0.35 114.38 116.98 1i50 h ARG 711 Ca -0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1i50 h ARG 711 Cb 0.81 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1i50 h ARG 711 CO -0.19 0.60 0.02 0.93 -1.07 0.00 0.00 179.97 180.25 1i50 h GLU 712 N 0.94 0.04 0.00 0.04 5.08 -1.57 -1.75 114.58 117.35 1i50 h GLU 712 Ca 0.45 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1i50 h GLU 712 Cb 0.40 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1i50 h GLU 712 CO -0.25 0.08 -0.24 0.66 -1.00 0.00 0.00 179.01 178.27 1i50 h SER 713 N -0.01 0.00 0.86 1.42 4.64 0.53 -2.21 113.55 118.78 1i50 h SER 713 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1i50 h SER 713 Cb 0.05 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1i50 h SER 713 CO -0.00 0.24 -0.41 0.15 -0.87 0.00 0.00 176.83 175.93 1i50 h PHE 714 N 0.00 -1.07 -0.75 4.77 3.57 -0.04 -2.22 116.94 121.21 1i50 h PHE 714 Ca -0.00 -0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1i50 h PHE 714 Cb 0.86 0.35 -0.12 0.00 2.79 0.00 0.00 35.95 39.83 1i50 h PHE 714 CO 0.00 -0.66 0.09 0.93 -2.23 0.00 0.00 178.31 176.44 1i50 h GLU 715 N -1.24 0.16 -0.25 1.11 4.39 -1.26 -1.31 114.58 116.18 1i50 h GLU 715 Ca -0.12 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.63 1i50 h GLU 715 Cb 0.88 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.42 1i50 h GLU 715 CO 0.19 0.11 -0.26 0.22 -1.16 0.00 0.00 179.01 178.11 1i50 h ASP 716 N 0.17 -0.85 -0.71 1.42 -0.00 -1.24 0.10 116.42 115.32 1i50 h ASP 716 Ca 0.42 0.15 -0.05 0.00 -0.00 0.00 0.00 57.03 57.55 1i50 h ASP 716 Cb 0.76 0.39 -0.03 0.00 -0.00 0.00 0.00 39.33 40.45 1i50 h ASP 716 CO -0.60 -0.30 0.24 0.78 -0.00 0.00 0.00 179.24 179.36 1i50 h ASN 717 N -0.27 1.02 -0.22 2.28 2.35 -0.64 -1.00 115.58 119.10 1i50 h ASN 717 Ca 0.14 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1i50 h ASN 717 Cb 0.48 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1i50 h ASN 717 CO -0.40 0.95 0.13 0.58 -1.65 0.00 0.00 177.43 177.03 1i50 h VAL 718 N 1.04 1.10 -0.67 2.81 2.07 -0.71 -0.68 116.25 121.21 1i50 h VAL 718 Ca 0.23 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1i50 h VAL 718 Cb 0.28 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1i50 h VAL 718 CO -0.01 0.10 0.19 0.58 0.02 0.00 0.00 177.57 178.45 1i50 h VAL 719 N 0.26 1.25 -0.72 2.57 2.07 -0.63 -0.80 116.25 120.24 1i50 h VAL 719 Ca 0.08 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1i50 h VAL 719 Cb 0.05 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1i50 h VAL 719 CO -0.01 0.34 0.43 -0.09 0.02 0.00 0.00 177.57 178.26 1i50 h ARG 720 N 0.99 0.99 -0.04 1.57 2.43 -0.84 -1.30 114.38 118.18 1i50 h ARG 720 Ca 0.22 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1i50 h ARG 720 Cb 0.30 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1i50 h ARG 720 CO -0.01 0.71 0.02 0.74 -1.51 0.00 0.00 179.97 179.92 1i50 h PHE 721 N 0.99 0.05 0.00 2.20 0.05 -0.69 -1.05 116.94 118.49 1i50 h PHE 721 Ca 0.26 -0.00 -0.04 0.00 3.82 0.00 0.00 57.97 62.01 1i50 h PHE 721 Cb -0.02 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 37.91 1i50 h PHE 721 CO -0.01 0.10 -0.18 -0.07 -0.18 0.00 0.00 178.31 177.97 1i50 h LEU 722 N -0.02 0.00 0.18 1.54 3.38 -0.88 -1.23 115.31 118.28 1i50 h LEU 722 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 1i50 h LEU 722 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1i50 h LEU 722 CO -0.00 0.18 -1.67 0.78 0.09 0.00 0.00 178.44 177.82 1i50 h ASN 723 N 0.00 0.58 -1.00 -0.43 2.35 -1.11 -2.75 115.58 113.23 1i50 h ASN 723 Ca -0.00 -0.82 0.16 0.00 -0.55 0.00 0.00 56.30 55.08 1i50 h ASN 723 Cb 0.42 -0.19 -0.09 0.00 0.05 0.00 0.00 38.32 38.51 1i50 h ASN 723 CO 0.02 1.69 0.62 -0.33 -1.65 0.00 0.00 177.43 177.78 1i50 h GLU 724 N 0.10 0.83 0.42 0.81 5.08 -0.89 0.13 114.58 121.05 1i50 h GLU 724 Ca -0.31 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1i50 h GLU 724 Cb 2.09 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1i50 h GLU 724 CO 0.18 0.55 -0.20 0.00 -1.00 0.00 0.00 179.01 178.54 1i50 h ALA 725 N 1.60 -0.56 -0.47 3.43 0.00 -1.25 0.10 119.26 122.10 1i50 h ALA 725 Ca 0.54 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.35 1i50 h ALA 725 Cb 0.73 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1i50 h ALA 725 CO -0.32 -0.67 0.03 -0.09 0.00 0.00 0.00 179.25 178.20 1i50 h ARG 726 N -0.85 0.14 0.50 0.00 2.43 -1.08 0.20 114.38 115.72 1i50 h ARG 726 Ca -0.06 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1i50 h ARG 726 Cb 0.55 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1i50 h ARG 726 CO 0.09 0.09 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.97 1i50 h ASP 727 N 0.14 -0.57 -0.06 -3.80 3.32 -0.71 0.12 116.42 114.86 1i50 h ASP 727 Ca 0.24 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1i50 h ASP 727 Cb 0.34 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1i50 h ASP 727 CO -0.37 -0.38 -0.03 0.07 -1.72 0.00 0.00 179.24 176.80 1i50 h LYS 728 N -0.71 0.25 -0.59 3.56 2.10 -0.77 -0.13 116.57 120.29 1i50 h LYS 728 Ca -0.07 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.47 1i50 h LYS 728 Cb 0.53 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.79 1i50 h LYS 728 CO 0.11 0.31 0.10 0.00 -2.00 0.00 0.00 179.45 177.97 1i50 h ALA 729 N 1.72 1.06 -0.34 0.07 0.00 -0.26 -2.41 119.26 119.10 1i50 h ALA 729 Ca 0.06 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1i50 h ALA 729 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1i50 h ALA 729 CO 0.01 0.61 -0.33 0.78 0.00 0.00 0.00 179.25 180.31 1i50 h GLY 730 N 1.02 0.83 1.45 0.00 0.00 0.96 -3.02 103.07 104.31 1i50 h GLY 730 Ca 0.18 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 1i50 h GLY 730 CO 0.01 0.72 -0.14 3.21 0.00 0.00 0.00 176.54 180.33 1i50 h ARG 731 N 0.64 0.65 -0.16 4.80 3.08 -0.92 -1.59 114.38 120.89 1i50 h ARG 731 Ca 0.07 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1i50 h ARG 731 Cb 0.87 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1i50 h ARG 731 CO 0.08 0.77 0.01 -0.07 -1.07 0.00 0.00 179.97 179.69 1i50 h LEU 732 N 0.59 0.20 0.17 3.04 3.38 -1.32 -1.45 115.31 119.92 1i50 h LEU 732 Ca 0.10 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.74 1i50 h LEU 732 Cb 0.59 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.31 1i50 h LEU 732 CO 0.04 0.24 -1.34 0.00 0.09 0.00 0.00 178.44 177.46 1i50 h ALA 733 N 1.80 -0.04 0.10 1.53 0.00 -1.33 -3.10 119.26 118.22 1i50 h ALA 733 Ca 0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1i50 h ALA 733 Cb 0.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1i50 h ALA 733 CO 0.00 0.76 -0.05 1.49 0.00 0.00 0.00 179.25 181.45 1i50 h GLU 734 N 0.17 -0.12 -0.74 0.00 4.81 -0.89 -2.88 114.58 114.93 1i50 h GLU 734 Ca -0.20 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1i50 h GLU 734 Cb 2.03 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.38 1i50 h GLU 734 CO 0.25 -0.05 0.43 0.28 -0.73 0.00 0.00 179.01 179.19 1i50 h VAL 735 N -0.17 0.98 0.00 0.32 2.07 -1.40 -3.24 116.25 114.83 1i50 h VAL 735 Ca -0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1i50 h VAL 735 Cb 0.13 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1i50 h VAL 735 CO 0.02 0.14 0.00 -3.20 0.02 0.00 0.00 177.57 174.55 1i50 n ASN 736 N -4.73 0.00 -1.00 0.57 2.85 -1.11 -4.77 115.26 107.07 1i50 n ASN 736 Ca 0.10 0.80 -0.13 0.00 -0.11 0.00 0.00 54.58 55.24 1i50 n ASN 736 Cb 0.18 -0.30 -0.02 0.00 1.24 0.00 0.00 39.78 40.89 1i50 n ASN 736 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1i50 n LEU 737 N -1.65 0.01 -4.94 1.20 4.77 -1.11 -4.92 117.00 110.36 1i50 n LEU 737 Ca 0.00 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.95 1i50 n LEU 737 Cb 0.00 -0.20 0.18 0.00 -2.33 0.00 0.00 43.42 41.06 1i50 n LEU 737 CO 0.00 -0.41 0.84 -0.54 -1.33 0.00 0.00 177.39 175.95 1i50 s LYS 738 N 0.03 0.75 0.00 3.23 1.02 -1.26 -4.94 119.74 118.58 1i50 s LYS 738 Ca 0.20 -0.49 0.29 0.00 0.02 0.00 0.00 55.97 55.99 1i50 s LYS 738 Cb -0.28 -1.90 1.74 0.00 -0.52 0.00 0.00 37.83 36.86 1i50 s LYS 738 CO 0.13 -2.31 2.08 -0.25 -0.92 0.00 0.00 175.35 174.08 1i50 n ASP 739 N -3.66 0.00 -0.02 2.83 8.00 -1.26 -2.30 116.55 120.14 1i50 n ASP 739 Ca 0.15 -0.88 -0.10 0.00 0.71 0.00 0.00 54.79 54.67 1i50 n ASP 739 Cb 0.60 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.54 1i50 n ASP 739 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i50 h LEU 740 N 0.00 0.06 -8.89 0.64 4.07 -2.00 -3.44 115.31 105.75 1i50 h LEU 740 Ca 0.00 -0.13 -0.72 0.00 0.08 0.00 0.00 57.88 57.10 1i50 h LEU 740 Cb 0.01 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1i50 h LEU 740 CO 0.00 1.12 1.08 -3.20 -1.08 0.00 0.00 178.44 176.36 1i50 n ASN 741 N -3.11 2.20 -0.27 -0.43 5.15 -0.97 -4.83 115.26 113.00 1i50 n ASN 741 Ca -0.19 0.86 -0.03 0.00 -0.60 0.00 0.00 54.58 54.62 1i50 n ASN 741 Cb 1.05 -1.15 0.13 0.00 -0.53 0.00 0.00 39.78 39.27 1i50 n ASN 741 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1i50 h ASN 742 N 8.79 1.02 -0.69 1.20 2.35 -1.89 0.11 115.58 126.47 1i50 h ASN 742 Ca -0.38 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1i50 h ASN 742 Cb 1.33 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.40 1i50 h ASN 742 CO 0.99 0.85 0.44 0.58 -1.65 0.00 0.00 177.43 178.63 1i50 h VAL 743 N 1.12 1.19 -0.20 2.81 2.07 -1.88 -1.48 116.25 119.87 1i50 h VAL 743 Ca 0.27 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1i50 h VAL 743 Cb 0.09 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1i50 h VAL 743 CO -0.04 0.19 -0.33 0.50 0.02 0.00 0.00 177.57 177.91 1i50 h LYS 744 N 0.93 0.42 -0.86 1.57 3.64 -1.64 -2.29 116.57 118.34 1i50 h LYS 744 Ca 0.25 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1i50 h LYS 744 Cb -0.07 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1i50 h LYS 744 CO -0.05 0.70 0.46 1.96 -2.27 0.00 0.00 179.45 180.25 1i50 h GLN 745 N 0.36 1.21 -0.27 1.90 4.20 0.01 -0.22 115.11 122.31 1i50 h GLN 745 Ca 0.04 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1i50 h GLN 745 Cb 0.75 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1i50 h GLN 745 CO 0.06 0.90 -0.36 0.52 -0.67 0.00 0.00 178.83 179.27 1i50 h MET 746 N 1.21 0.61 -0.27 1.46 2.86 -1.02 -2.51 114.93 117.27 1i50 h MET 746 Ca 0.30 -0.29 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1i50 h MET 746 Cb 0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1i50 h MET 746 CO -0.05 0.88 -0.40 0.28 1.06 0.00 0.00 176.91 178.68 1i50 h VAL 747 N 0.51 1.29 0.00 -2.22 2.07 -0.92 -2.58 116.25 114.40 1i50 h VAL 747 Ca 0.05 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 65.90 1i50 h VAL 747 Cb 0.86 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1i50 h VAL 747 CO 0.07 0.50 -0.48 0.24 0.02 0.00 0.00 177.57 177.93 1i50 h MET 748 N 0.53 0.00 0.02 1.57 2.07 -0.92 -3.12 114.93 115.08 1i50 h MET 748 Ca 0.04 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.45 1i50 h MET 748 Cb 0.92 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.63 1i50 h MET 748 CO 0.08 0.48 -1.07 0.00 1.07 0.00 0.00 176.91 177.47 1i50 h ALA 749 N 1.52 0.33 0.00 6.32 0.00 -1.36 -3.45 119.26 122.62 1i50 h ALA 749 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1i50 h ALA 749 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1i50 h ALA 749 CO 0.06 1.22 0.00 0.41 0.00 0.00 0.00 179.25 180.94 1i50 n GLY 750 N 1.39 2.04 3.72 0.00 0.00 -0.99 -2.17 105.19 109.18 1i50 n GLY 750 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1i50 n GLY 750 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i50 s SER 751 N -1.78 7.32 0.00 1.61 1.04 -1.11 -4.81 113.70 115.97 1i50 s SER 751 Ca 0.00 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1i50 s SER 751 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1i50 s SER 751 CO 0.00 -0.25 0.00 0.29 0.98 0.00 0.00 173.24 174.26 1i50 n LYS 752 N 3.31 0.00 0.00 4.02 5.02 -1.26 -4.21 118.16 125.05 1i50 n LYS 752 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1i50 n LYS 752 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1i50 n LYS 752 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i50 n GLY 753 N 0.02 3.00 0.00 0.72 0.00 -1.26 -4.37 105.19 103.30 1i50 n GLY 753 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1i50 n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i50 n SER 754 N 0.00 0.00 0.01 1.61 3.41 -1.26 -4.99 113.62 112.40 1i50 n SER 754 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1i50 n SER 754 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1i50 n SER 754 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1i50 h PHE 755 N 0.00 -1.39 -1.15 7.33 3.57 -2.01 -1.82 116.94 121.48 1i50 h PHE 755 Ca 0.00 0.05 0.40 0.00 3.53 0.00 0.00 57.97 61.96 1i50 h PHE 755 Cb 0.00 0.62 -0.15 0.00 2.79 0.00 0.00 35.95 39.21 1i50 h PHE 755 CO 0.00 -0.48 0.69 0.97 -2.23 0.00 0.00 178.31 177.27 1i50 h ILE 756 N -0.52 0.12 0.20 1.41 -0.00 -1.98 0.27 117.51 117.02 1i50 h ILE 756 Ca 0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 64.86 64.83 1i50 h ILE 756 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.42 1i50 h ILE 756 CO -0.36 0.02 -0.10 0.78 -0.00 0.00 0.00 178.15 178.49 1i50 h ASN 757 N 0.11 -0.23 -0.34 2.19 2.35 -1.73 -1.29 115.58 116.65 1i50 h ASN 757 Ca 0.81 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 56.33 1i50 h ASN 757 Cb 2.27 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 40.68 1i50 h ASN 757 CO -0.57 0.19 0.23 0.40 -1.65 0.00 0.00 177.43 176.02 1i50 h ILE 758 N -0.69 0.99 -0.32 2.81 2.04 -0.58 -1.18 117.51 120.58 1i50 h ILE 758 Ca -0.03 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1i50 h ILE 758 Cb 0.48 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1i50 h ILE 758 CO 0.05 0.05 -0.32 0.00 0.00 0.00 0.00 178.15 177.93 1i50 h ALA 759 N 1.81 0.47 0.01 1.87 0.00 -0.43 -1.21 119.26 121.78 1i50 h ALA 759 Ca 0.14 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1i50 h ALA 759 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1i50 h ALA 759 CO -0.03 0.52 -0.91 1.96 0.00 0.00 0.00 179.25 180.79 1i50 h GLN 760 N 0.55 0.06 0.01 0.00 4.20 -0.73 -1.72 115.11 117.48 1i50 h GLN 760 Ca 0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1i50 h GLN 760 Cb 0.90 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1i50 h GLN 760 CO 0.08 0.93 -0.01 0.52 -0.67 0.00 0.00 178.83 179.68 1i50 h MET 761 N 0.03 -0.01 0.04 1.46 2.86 -1.23 -1.75 114.93 116.32 1i50 h MET 761 Ca -0.02 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.42 1i50 h MET 761 Cb 1.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.24 1i50 h MET 761 CO 0.13 0.72 -1.04 0.77 1.06 0.00 0.00 176.91 178.55 1i50 h SER 762 N -0.77 0.14 -2.12 1.22 0.02 -1.34 -2.59 113.55 108.11 1i50 h SER 762 Ca -0.00 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1i50 h SER 762 Cb 0.74 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1i50 h SER 762 CO 0.00 1.43 0.00 0.00 -1.14 0.00 0.00 176.83 177.12 1i50 n ALA 763 N -3.07 0.00 -1.47 3.77 0.00 -0.65 -4.76 120.51 114.33 1i50 n ALA 763 Ca -0.25 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.71 1i50 n ALA 763 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1i50 n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i50 h VAL 765 N 1.59 1.30 0.00 0.00 2.07 -1.29 -3.32 116.25 116.60 1i50 h VAL 765 Ca -0.34 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 64.73 1i50 h VAL 765 Cb 1.41 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1i50 h VAL 765 CO 0.60 0.74 0.00 0.61 0.02 0.00 0.00 177.57 179.54 1i50 n GLY 766 N 1.39 -0.81 3.72 2.17 0.00 -0.57 -4.82 105.19 106.27 1i50 n GLY 766 Ca -0.14 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.27 1i50 n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i50 s GLN 767 N -0.18 4.54 0.60 1.61 2.00 -1.26 0.37 119.66 127.34 1i50 s GLN 767 Ca 0.00 1.28 -0.05 0.00 -2.00 0.00 0.00 55.36 54.58 1i50 s GLN 767 Cb 0.00 -3.44 0.02 0.00 0.80 0.00 0.00 33.01 30.38 1i50 s GLN 767 CO 0.00 0.02 0.90 -0.65 -0.50 0.00 0.00 175.29 175.06 1i50 s GLN 768 N 0.80 2.83 -0.25 1.67 -1.52 -0.58 -4.93 119.66 117.68 1i50 s GLN 768 Ca 0.47 -0.09 -0.27 0.00 -1.95 0.00 0.00 55.36 53.53 1i50 s GLN 768 Cb -0.20 -2.28 0.14 0.00 -0.22 0.00 0.00 33.01 30.44 1i50 s GLN 768 CO 0.26 -0.74 1.10 -1.54 -0.25 0.00 0.00 175.29 174.11 1i50 s SER 769 N -4.33 -0.35 -0.08 5.90 1.04 -1.26 -4.51 113.70 110.11 1i50 s SER 769 Ca 0.54 0.57 0.03 0.00 0.48 0.00 0.00 55.95 57.57 1i50 s SER 769 Cb -0.11 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1i50 s SER 769 CO 0.44 -0.19 -0.15 -0.69 0.98 0.00 0.00 173.24 173.63 1i50 s VAL 770 N -0.29 1.40 -1.37 5.02 1.01 -0.93 -4.58 120.40 120.67 1i50 s VAL 770 Ca 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1i50 s VAL 770 Cb -0.03 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1i50 s VAL 770 CO -0.05 0.42 0.87 -0.62 0.00 0.00 0.00 175.10 175.72 1i50 n GLU 771 N 3.79 -5.64 -0.78 2.72 1.02 -1.26 -2.20 120.64 118.29 1i50 n GLU 771 Ca -0.21 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1i50 n GLU 771 Cb 0.52 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 1i50 n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 772 N -1.61 0.33 3.61 0.62 0.00 -1.26 -4.98 105.19 101.90 1i50 n GLY 772 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1i50 n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i50 s LYS 773 N -0.79 1.96 0.91 1.61 1.02 -0.94 -5.10 119.74 118.40 1i50 s LYS 773 Ca 0.00 -2.17 -0.12 0.00 0.02 0.00 0.00 55.97 53.70 1i50 s LYS 773 Cb 0.00 -1.27 0.13 0.00 -0.52 0.00 0.00 37.83 36.18 1i50 s LYS 773 CO 0.00 -0.24 1.11 1.03 -0.92 0.00 0.00 175.35 176.32 1i50 s ARG 774 N -3.80 1.19 0.14 1.68 0.52 -1.26 -2.18 118.95 115.24 1i50 s ARG 774 Ca 0.25 0.54 -0.35 0.00 -0.52 0.00 0.00 55.73 55.65 1i50 s ARG 774 Cb 0.06 -1.82 -0.15 0.00 0.52 0.00 0.00 34.95 33.56 1i50 s ARG 774 CO 0.12 -2.22 1.52 -0.89 0.02 0.00 0.00 175.30 173.86 1i50 n ILE 775 N -3.82 0.01 -2.27 1.52 2.08 -0.68 -4.67 119.36 111.53 1i50 n ILE 775 Ca 0.06 -0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.08 1i50 n ILE 775 Cb 0.57 -1.37 0.01 0.00 -0.75 0.00 0.00 39.64 38.11 1i50 n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1i50 s ALA 776 N 0.85 3.25 -1.19 -1.39 0.00 -1.26 -4.78 121.76 117.23 1i50 s ALA 776 Ca 0.80 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.19 1i50 s ALA 776 Cb -0.75 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1i50 s ALA 776 CO 0.40 -0.58 1.89 1.19 0.00 0.00 0.00 175.76 178.66 1i50 n PHE 777 N -2.53 3.27 -0.09 0.00 0.99 -1.26 -4.47 117.46 113.37 1i50 n PHE 777 Ca 0.03 -2.02 -0.04 0.00 -0.00 0.00 0.00 57.45 55.43 1i50 n PHE 777 Cb 0.55 -2.52 0.17 0.00 -1.00 0.00 0.00 39.48 36.69 1i50 n PHE 777 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1i50 h GLY 778 N 15.23 0.81 -1.72 1.37 0.00 -1.80 -3.41 103.07 113.56 1i50 h GLY 778 Ca 0.34 -0.54 -0.45 0.00 0.00 0.00 0.00 47.33 46.67 1i50 h GLY 778 CO 1.42 0.50 0.05 -1.36 0.00 0.00 0.00 176.54 177.16 1i50 s PHE 779 N -4.95 3.03 -0.30 5.60 0.08 -0.77 -4.96 117.98 115.71 1i50 s PHE 779 Ca -0.09 0.27 -0.28 0.00 0.12 0.00 0.00 56.93 56.95 1i50 s PHE 779 Cb 0.15 -2.75 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1i50 s PHE 779 CO 0.81 -0.86 2.04 0.08 -0.10 0.00 0.00 175.22 177.18 1i50 s VAL 780 N -2.86 3.23 -1.41 -0.44 1.01 -1.26 -2.81 120.40 115.85 1i50 s VAL 780 Ca 0.55 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1i50 s VAL 780 Cb -0.10 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1i50 s VAL 780 CO 0.41 -0.22 0.00 0.47 0.00 0.00 0.00 175.10 175.76 1i50 n ASP 781 N 11.43 -4.77 -3.53 3.32 8.00 -1.26 -4.89 116.55 124.85 1i50 n ASP 781 Ca 0.27 0.05 -0.11 0.00 0.71 0.00 0.00 54.79 55.71 1i50 n ASP 781 Cb 0.47 -3.86 -0.04 0.00 -0.02 0.00 0.00 41.12 37.67 1i50 n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i50 s ARG 782 N -4.56 0.80 0.07 -1.24 1.70 -1.12 -1.08 118.95 113.51 1i50 s ARG 782 Ca 0.00 -0.04 0.07 0.00 -0.47 0.00 0.00 55.73 55.30 1i50 s ARG 782 Cb 0.00 0.37 -0.22 0.00 -0.57 0.00 0.00 34.95 34.53 1i50 s ARG 782 CO 0.00 -0.30 1.08 1.79 -1.08 0.00 0.00 175.30 176.80 1i50 h THR 783 N 2.40 1.44 -3.49 4.99 1.35 -1.85 -2.03 112.91 115.72 1i50 h THR 783 Ca -0.22 -3.18 -0.10 0.00 -0.55 0.00 0.00 66.41 62.35 1i50 h THR 783 Cb 1.20 2.73 -0.17 0.00 -1.73 0.00 0.00 68.15 70.18 1i50 h THR 783 CO 0.33 0.83 -0.34 -0.76 -0.25 0.00 0.00 175.52 175.33 1i50 s LEU 784 N -6.58 1.21 0.00 3.87 1.43 -1.26 -4.64 118.68 112.70 1i50 s LEU 784 Ca -0.01 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.85 1i50 s LEU 784 Cb 0.09 1.10 0.42 0.00 0.03 0.00 0.00 46.19 47.83 1i50 s LEU 784 CO 0.83 -0.59 1.22 -0.81 0.23 0.00 0.00 176.35 177.23 1i50 n PRO 785 N 0.60 0.07 0.04 1.29 -0.04 -1.26 -2.39 135.00 133.32 1i50 n PRO 785 Ca -0.19 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 1i50 n PRO 785 Cb 0.59 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 33.07 1i50 n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1i50 n HIS 786 N -1.38 0.39 -3.50 0.54 8.25 -1.26 -4.86 115.22 113.39 1i50 n HIS 786 Ca 0.03 0.11 -0.21 0.00 -0.26 0.00 0.00 57.72 57.40 1i50 n HIS 786 Cb 0.09 -0.68 -0.02 0.00 1.12 0.00 0.00 29.99 30.50 1i50 n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1i50 s PHE 787 N -3.04 2.46 0.42 4.41 0.40 -1.00 -5.13 117.98 116.50 1i50 s PHE 787 Ca 0.12 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1i50 s PHE 787 Cb 0.16 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1i50 s PHE 787 CO 0.56 -0.29 0.66 -1.12 0.70 0.00 0.00 175.22 175.73 1i50 s SER 788 N -4.22 6.11 0.42 1.36 0.01 -1.26 -4.96 113.70 111.15 1i50 s SER 788 Ca 0.48 0.53 -0.24 0.00 1.31 0.00 0.00 55.95 58.03 1i50 s SER 788 Cb -0.04 -1.92 -0.08 0.00 0.21 0.00 0.00 66.02 64.19 1i50 s SER 788 CO 0.28 -0.53 1.13 -0.54 0.41 0.00 0.00 173.24 174.00 1i50 s LYS 789 N -4.53 4.00 -0.81 12.44 1.02 -1.26 -3.73 119.74 126.88 1i50 s LYS 789 Ca 0.45 1.72 -0.02 0.00 0.02 0.00 0.00 55.97 58.15 1i50 s LYS 789 Cb -0.10 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1i50 s LYS 789 CO 0.39 -0.33 0.22 -0.25 -0.92 0.00 0.00 175.35 174.46 1i50 n ASP 790 N -0.13 -3.73 -4.33 2.83 10.43 -0.24 -5.00 116.55 116.38 1i50 n ASP 790 Ca 0.05 -0.11 -0.45 0.00 2.57 0.00 0.00 54.79 56.85 1i50 n ASP 790 Cb 0.48 -2.72 -0.06 0.00 1.84 0.00 0.00 41.12 40.66 1i50 n ASP 790 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1i50 s ASP 791 N -2.77 6.15 -0.12 -2.24 -1.08 -1.24 -4.93 116.67 110.44 1i50 s ASP 791 Ca 0.11 -1.66 0.15 0.00 -0.52 0.00 0.00 52.55 50.63 1i50 s ASP 791 Cb -0.05 -2.19 0.64 0.00 -1.46 0.00 0.00 42.92 39.86 1i50 s ASP 791 CO 0.14 -0.79 1.52 -1.22 0.52 0.00 0.00 175.17 175.34 1i50 n TYR 792 N 5.22 1.41 -0.71 -5.34 4.02 -1.26 -4.55 117.16 115.94 1i50 n TYR 792 Ca -0.13 -0.54 -0.28 0.00 -0.01 0.00 0.00 57.90 56.94 1i50 n TYR 792 Cb 0.41 -0.27 0.24 0.00 -0.02 0.00 0.00 39.34 39.69 1i50 n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1i50 s SER 793 N -0.79 1.25 0.25 7.72 1.04 -1.26 -4.78 113.70 117.12 1i50 s SER 793 Ca 0.45 1.36 0.02 0.00 0.48 0.00 0.00 55.95 58.26 1i50 s SER 793 Cb 0.30 -2.12 0.30 0.00 0.10 0.00 0.00 66.02 64.59 1i50 s SER 793 CO 0.19 -4.01 1.62 1.55 0.98 0.00 0.00 173.24 173.57 1i50 h PRO 794 N -2.50 0.39 -0.03 4.02 0.13 -1.96 -2.64 132.00 129.41 1i50 h PRO 794 Ca -0.60 -0.21 -0.10 0.00 -0.87 0.00 0.00 66.00 64.21 1i50 h PRO 794 Cb 1.34 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1i50 h PRO 794 CO 0.52 0.77 -0.47 0.93 -0.23 0.00 0.00 178.00 179.52 1i50 h GLU 795 N 0.32 0.06 0.20 0.86 3.07 -1.93 0.16 114.58 117.32 1i50 h GLU 795 Ca 0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1i50 h GLU 795 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1i50 h GLU 795 CO 0.08 0.52 -0.10 1.03 -1.40 0.00 0.00 179.01 179.15 1i50 h SER 796 N 0.05 -0.23 -0.04 1.42 0.87 -1.84 -3.34 113.55 110.44 1i50 h SER 796 Ca -0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1i50 h SER 796 Cb 0.86 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1i50 h SER 796 CO 0.06 0.31 0.00 1.17 -0.53 0.00 0.00 176.83 177.84 1i50 n LYS 797 N -4.95 1.18 0.00 2.24 3.00 -1.01 -4.79 118.16 113.83 1i50 n LYS 797 Ca -0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 1i50 n LYS 797 Cb 0.25 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.91 1i50 n LYS 797 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i50 n GLY 798 N 0.22 1.21 3.69 3.14 0.00 -1.14 -1.68 105.19 110.63 1i50 n GLY 798 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1i50 n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i50 s PHE 799 N -2.00 3.50 -0.40 1.61 5.36 0.54 -1.52 117.98 125.08 1i50 s PHE 799 Ca 0.00 1.53 -0.17 0.00 -0.96 0.00 0.00 56.93 57.33 1i50 s PHE 799 Cb 0.00 -3.15 0.01 0.00 -0.34 0.00 0.00 43.02 39.54 1i50 s PHE 799 CO 0.00 -0.21 0.44 0.08 -1.46 0.00 0.00 175.22 174.07 1i50 s VAL 800 N 1.98 5.08 0.09 3.12 1.01 0.16 -4.63 120.40 127.21 1i50 s VAL 800 Ca 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 1i50 s VAL 800 Cb -0.18 -3.99 -0.26 0.00 0.00 0.00 0.00 36.38 31.94 1i50 s VAL 800 CO 0.17 -0.34 1.17 -0.08 0.00 0.00 0.00 175.10 176.03 1i50 h GLU 801 N 8.65 0.29 -7.34 2.72 4.81 -1.94 -1.50 114.58 120.27 1i50 h GLU 801 Ca -0.27 -0.45 -0.51 0.00 -0.13 0.00 0.00 59.36 57.99 1i50 h GLU 801 Cb 1.12 0.16 0.07 0.00 0.63 0.00 0.00 28.75 30.73 1i50 h GLU 801 CO 0.78 1.20 0.40 -0.80 -0.73 0.00 0.00 179.01 179.85 1i50 s ASN 802 N -7.13 5.88 0.69 1.04 0.01 -1.26 -4.18 114.94 109.98 1i50 s ASN 802 Ca -0.04 1.53 -0.03 0.00 -0.71 0.00 0.00 52.86 53.60 1i50 s ASN 802 Cb 0.07 -2.48 0.09 0.00 0.41 0.00 0.00 41.25 39.33 1i50 s ASN 802 CO 0.88 -1.10 0.97 -0.94 -1.51 0.00 0.00 177.10 175.39 1i50 s SER 803 N -3.90 4.65 0.25 -1.22 1.04 -1.25 -1.42 113.70 111.85 1i50 s SER 803 Ca 0.57 0.05 0.03 0.00 0.48 0.00 0.00 55.95 57.08 1i50 s SER 803 Cb -0.12 -0.63 0.30 0.00 0.10 0.00 0.00 66.02 65.67 1i50 s SER 803 CO 0.53 -1.65 1.61 1.88 0.98 0.00 0.00 173.24 176.59 1i50 h TYR 804 N -0.48 0.41 -0.25 5.02 0.99 -1.21 -2.00 116.97 119.45 1i50 h TYR 804 Ca -0.41 -0.13 0.03 0.00 2.00 0.00 0.00 58.73 60.21 1i50 h TYR 804 Cb 1.29 -0.08 -0.03 0.00 1.00 0.00 0.00 36.73 38.91 1i50 h TYR 804 CO 0.05 0.76 0.09 1.25 -0.00 0.00 0.00 178.16 180.31 1i50 h LEU 805 N 0.27 0.09 -0.82 3.88 5.85 -1.73 -2.55 115.31 120.31 1i50 h LEU 805 Ca 0.01 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1i50 h LEU 805 Cb 0.96 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1i50 h LEU 805 CO 0.08 0.09 -0.32 0.03 -0.34 0.00 0.00 178.44 177.97 1i50 h ARG 806 N 0.20 0.51 0.00 1.25 3.08 -1.81 -3.50 114.38 114.12 1i50 h ARG 806 Ca 0.11 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1i50 h ARG 806 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1i50 h ARG 806 CO -0.12 0.77 0.00 0.41 -1.07 0.00 0.00 179.97 179.96 1i50 n GLY 807 N -0.21 2.37 3.77 0.04 0.00 -0.76 -4.98 105.19 105.42 1i50 n GLY 807 Ca -0.01 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 1i50 n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 808 N 0.00 3.84 0.89 0.99 1.02 -1.26 -4.60 118.68 119.56 1i50 s LEU 808 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 54.13 54.10 1i50 s LEU 808 Cb 0.00 -2.37 0.13 0.00 0.02 0.00 0.00 46.19 43.97 1i50 s LEU 808 CO 0.00 0.23 1.11 0.42 0.02 0.00 0.00 176.35 178.13 1i50 s THR 809 N -1.28 2.42 0.17 5.49 -4.23 -1.26 -4.74 115.64 112.20 1i50 s THR 809 Ca 0.26 0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.76 1i50 s THR 809 Cb -0.12 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 70.97 1i50 s THR 809 CO 0.18 -0.18 1.82 1.55 -0.54 0.00 0.00 174.62 177.45 1i50 h PRO 810 N -1.47 0.60 -0.57 3.99 0.13 -1.99 0.94 132.00 133.63 1i50 h PRO 810 Ca -0.50 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1i50 h PRO 810 Cb 1.31 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1i50 h PRO 810 CO 0.59 0.40 0.35 1.96 -0.23 0.00 0.00 178.00 181.07 1i50 h GLN 811 N 0.62 0.67 -0.76 0.86 7.50 -1.99 -0.97 115.11 121.04 1i50 h GLN 811 Ca 0.18 -0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.34 1i50 h GLN 811 Cb -0.04 -0.15 -0.05 0.00 0.05 0.00 0.00 27.48 27.28 1i50 h GLN 811 CO -0.06 0.44 0.46 0.93 -1.50 0.00 0.00 178.83 179.11 1i50 h GLU 812 N 0.69 0.85 -0.30 1.46 5.08 -1.78 -1.79 114.58 118.78 1i50 h GLU 812 Ca 0.23 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1i50 h GLU 812 Cb 0.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1i50 h GLU 812 CO -0.10 0.56 0.11 0.35 -1.00 0.00 0.00 179.01 178.94 1i50 h PHE 813 N 0.87 0.20 -0.28 4.33 3.57 0.25 0.02 116.94 125.91 1i50 h PHE 813 Ca 0.32 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1i50 h PHE 813 Cb 0.11 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1i50 h PHE 813 CO -0.05 0.10 0.07 0.35 -2.23 0.00 0.00 178.31 176.55 1i50 h PHE 814 N 0.25 0.46 -0.77 0.41 3.57 -0.73 -1.50 116.94 118.62 1i50 h PHE 814 Ca 0.13 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1i50 h PHE 814 Cb 0.09 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1i50 h PHE 814 CO -0.13 0.51 0.51 0.74 -2.23 0.00 0.00 178.31 177.71 1i50 h PHE 815 N 0.28 0.98 0.00 0.41 0.05 -1.11 0.85 116.94 118.39 1i50 h PHE 815 Ca 0.09 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.88 1i50 h PHE 815 Cb 0.27 -0.33 -0.00 0.00 2.00 0.00 0.00 35.95 37.89 1i50 h PHE 815 CO 0.01 0.62 -0.10 1.25 -0.18 0.00 0.00 178.31 179.91 1i50 h HIS 816 N 1.05 0.00 0.05 -0.55 2.76 -0.76 -1.42 115.15 116.29 1i50 h HIS 816 Ca 0.28 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.20 1i50 h HIS 816 Cb -0.11 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1i50 h HIS 816 CO -0.02 0.10 -1.27 0.00 -1.30 0.00 0.00 177.93 175.45 1i50 h ALA 817 N 1.90 0.35 0.03 5.26 0.00 0.08 -1.16 119.26 125.71 1i50 h ALA 817 Ca -0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 54.91 53.88 1i50 h ALA 817 Cb 0.32 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1i50 h ALA 817 CO 0.01 1.22 -0.01 0.52 0.00 0.00 0.00 179.25 180.99 1i50 h MET 818 N 0.03 -0.04 -0.74 0.00 2.07 -0.12 -0.17 114.93 115.95 1i50 h MET 818 Ca -0.13 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.49 1i50 h MET 818 Cb 1.90 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 31.60 1i50 h MET 818 CO 0.14 0.11 0.40 0.78 1.07 0.00 0.00 176.91 179.41 1i50 h GLY 819 N -0.19 1.11 0.95 8.32 0.00 -1.35 -2.83 103.07 109.08 1i50 h GLY 819 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1i50 h GLY 819 CO 0.01 0.48 0.11 -1.33 0.00 0.00 0.00 176.54 175.80 1i50 h GLY 820 N 1.08 0.27 0.42 4.60 0.00 -0.82 -2.74 103.07 105.89 1i50 h GLY 820 Ca 0.26 -0.12 0.12 0.00 0.00 0.00 0.00 47.33 47.59 1i50 h GLY 820 CO -0.04 0.12 0.51 -0.09 0.00 0.00 0.00 176.54 177.04 1i50 h ARG 821 N 0.21 0.78 -0.27 4.80 9.65 -0.80 -2.06 114.38 126.69 1i50 h ARG 821 Ca 0.07 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1i50 h ARG 821 Cb 0.05 -0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 28.38 1i50 h ARG 821 CO -0.01 0.52 -0.32 1.49 2.80 0.00 0.00 179.97 184.44 1i50 h GLU 822 N 0.80 -0.31 -0.73 0.20 4.81 -1.33 0.10 114.58 118.13 1i50 h GLU 822 Ca 0.45 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.79 1i50 h GLU 822 Cb 0.49 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1i50 h GLU 822 CO -0.28 -0.20 0.48 0.78 -0.73 0.00 0.00 179.01 179.05 1i50 h GLY 823 N -0.32 0.91 0.93 1.92 0.00 -1.37 -1.56 103.07 103.59 1i50 h GLY 823 Ca 0.13 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1i50 h GLY 823 CO -0.45 0.17 -0.25 1.41 0.00 0.00 0.00 176.54 177.42 1i50 h LEU 824 N 0.66 0.69 0.82 3.11 3.38 -0.66 -1.77 115.31 121.53 1i50 h LEU 824 Ca 0.33 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1i50 h LEU 824 Cb 0.43 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1i50 h LEU 824 CO -0.12 1.01 -0.40 0.40 0.09 0.00 0.00 178.44 179.43 1i50 h ILE 825 N 0.37 0.00 0.00 1.22 2.04 0.06 -2.69 117.51 118.51 1i50 h ILE 825 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1i50 h ILE 825 Cb 0.81 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1i50 h ILE 825 CO 0.06 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.31 1i50 n ASP 826 N -4.99 0.00 0.10 1.72 5.68 -0.78 -1.05 116.55 117.24 1i50 n ASP 826 Ca -0.14 0.12 -0.05 0.00 -0.50 0.00 0.00 54.79 54.22 1i50 n ASP 826 Cb 0.44 -0.33 0.08 0.00 -1.14 0.00 0.00 41.12 40.17 1i50 n ASP 826 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1i50 h THR 827 N 0.00 1.46 -0.31 2.12 2.02 -1.09 0.26 112.91 117.37 1i50 h THR 827 Ca 0.00 -2.32 -0.12 0.00 0.77 0.00 0.00 66.41 64.75 1i50 h THR 827 Cb 0.21 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1i50 h THR 827 CO 0.00 0.67 -0.26 0.00 0.37 0.00 0.00 175.52 176.30 1i50 h ALA 828 N 1.18 0.45 -0.64 6.16 0.00 -0.77 -2.34 119.26 123.32 1i50 h ALA 828 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1i50 h ALA 828 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1i50 h ALA 828 CO 0.10 0.45 0.00 0.28 0.00 0.00 0.00 179.25 180.08 1i50 n VAL 829 N -4.27 0.00 -0.22 0.00 0.31 -0.98 -1.54 118.33 111.64 1i50 n VAL 829 Ca -0.03 1.27 0.13 0.00 -0.01 0.00 0.00 64.34 65.70 1i50 n VAL 829 Cb 0.45 -2.25 0.24 0.00 -0.91 0.00 0.00 33.84 31.38 1i50 n VAL 829 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1i50 n LYS 830 N -1.68 -0.05 0.26 5.55 4.01 0.89 0.79 118.16 127.92 1i50 n LYS 830 Ca 0.00 0.94 -0.12 0.00 -0.51 0.00 0.00 58.31 58.63 1i50 n LYS 830 Cb 0.00 -1.55 -0.06 0.00 -0.51 0.00 0.00 35.03 32.91 1i50 n LYS 830 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1i50 h THR 831 N 0.00 0.00 -0.23 -0.18 2.02 -1.28 -1.65 112.91 111.58 1i50 h THR 831 Ca 0.43 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.67 1i50 h THR 831 Cb 0.98 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1i50 h THR 831 CO -0.57 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.19 1i50 h ALA 832 N -1.48 0.05 -0.72 6.16 0.00 0.14 -2.56 119.26 120.86 1i50 h ALA 832 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i50 h ALA 832 Cb 0.57 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1i50 h ALA 832 CO 0.06 -0.55 0.47 0.93 0.00 0.00 0.00 179.25 180.16 1i50 h GLU 833 N -0.11 0.90 -0.30 0.00 5.08 -1.10 -2.80 114.58 116.26 1i50 h GLU 833 Ca 0.13 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1i50 h GLU 833 Cb 0.30 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1i50 h GLU 833 CO -0.30 0.60 -0.12 1.15 -1.00 0.00 0.00 179.01 179.34 1i50 h THR 834 N 0.93 1.23 0.00 1.13 2.02 -1.09 -2.11 112.91 115.02 1i50 h THR 834 Ca 0.28 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 1i50 h THR 834 Cb -0.04 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1i50 h THR 834 CO -0.09 0.33 -0.34 1.23 0.37 0.00 0.00 175.52 177.02 1i50 h GLY 835 N 0.92 0.00 1.38 2.16 0.00 -1.19 -1.33 103.07 105.01 1i50 h GLY 835 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.14 1i50 h GLY 835 CO 0.03 0.00 -1.43 -1.82 0.00 0.00 0.00 176.54 173.32 1i50 h TYR 836 N 0.00 0.18 -0.55 5.60 3.20 -1.45 -3.16 116.97 120.79 1i50 h TYR 836 Ca -0.00 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 61.63 1i50 h TYR 836 Cb 0.61 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1i50 h TYR 836 CO 0.00 1.16 -0.10 0.82 -1.64 0.00 0.00 178.16 178.40 1i50 h ILE 837 N 0.03 1.27 -0.27 1.81 2.04 -1.18 -2.24 117.51 118.96 1i50 h ILE 837 Ca -0.19 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 1i50 h ILE 837 Cb 1.94 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1i50 h ILE 837 CO 0.12 0.45 -0.13 -0.61 0.00 0.00 0.00 178.15 177.98 1i50 h GLN 838 N 0.92 0.46 0.00 2.37 -0.00 -1.33 -1.49 115.11 116.04 1i50 h GLN 838 Ca 0.14 -0.13 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1i50 h GLN 838 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.10 1i50 h GLN 838 CO 0.05 0.59 -0.00 0.00 0.00 0.00 0.00 178.83 179.47 1i50 h ARG 839 N 0.43 0.00 0.18 1.69 3.08 -1.47 -2.77 114.38 115.52 1i50 h ARG 839 Ca 0.08 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.79 1i50 h ARG 839 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.55 1i50 h ARG 839 CO 0.03 0.00 -1.66 0.00 -1.07 0.00 0.00 179.97 177.27 1i50 h ARG 840 N 0.00 0.38 0.35 0.04 2.47 -0.83 -3.07 114.38 113.72 1i50 h ARG 840 Ca 0.00 -0.65 -0.02 0.00 -1.26 0.00 0.00 59.98 58.05 1i50 h ARG 840 Cb 0.83 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1i50 h ARG 840 CO 0.00 1.31 -0.17 -0.07 0.56 0.00 0.00 179.97 181.60 1i50 h LEU 841 N 0.03 -0.40 -0.42 3.04 3.38 -1.30 -1.55 115.31 118.09 1i50 h LEU 841 Ca -0.33 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.74 1i50 h LEU 841 Cb 2.04 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.80 1i50 h LEU 841 CO 0.16 -0.28 -0.22 0.58 0.09 0.00 0.00 178.44 178.78 1i50 h VAL 842 N -0.49 0.37 -0.96 1.22 2.07 -1.64 -0.89 116.25 115.95 1i50 h VAL 842 Ca -0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.60 1i50 h VAL 842 Cb 0.37 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1i50 h VAL 842 CO 0.08 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.75 1i50 h LYS 843 N -0.14 0.87 0.00 1.57 3.64 -1.40 0.22 116.57 121.33 1i50 h LYS 843 Ca 0.20 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1i50 h LYS 843 Cb 0.45 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1i50 h LYS 843 CO -0.51 0.58 -0.35 0.00 -2.27 0.00 0.00 179.45 176.90 1i50 h ALA 844 N 1.54 1.17 0.00 5.00 0.00 -0.14 -3.33 119.26 123.49 1i50 h ALA 844 Ca 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i50 h ALA 844 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i50 h ALA 844 CO -0.29 0.44 -0.56 1.28 0.00 0.00 0.00 179.25 180.12 1i50 n LEU 845 N -3.75 0.25 -0.23 0.00 4.77 -0.84 -4.81 117.00 112.39 1i50 n LEU 845 Ca -0.01 -0.38 0.16 0.00 -0.03 0.00 0.00 56.01 55.75 1i50 n LEU 845 Cb 0.44 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.83 1i50 n LEU 845 CO 0.37 0.06 0.64 1.21 -1.33 0.00 0.00 177.39 178.34 1i50 n GLU 846 N -1.30 -0.05 0.00 3.23 2.13 0.72 -0.53 120.64 124.84 1i50 n GLU 846 Ca 0.01 0.98 0.14 0.00 0.66 0.00 0.00 57.16 58.95 1i50 n GLU 846 Cb 0.13 -1.66 0.64 0.00 0.27 0.00 0.00 31.44 30.82 1i50 n GLU 846 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1i50 n ASP 847 N -4.73 0.44 -4.65 4.31 5.75 -1.26 -4.50 116.55 111.91 1i50 n ASP 847 Ca 0.21 -0.60 -0.43 0.00 -0.01 0.00 0.00 54.79 53.96 1i50 n ASP 847 Cb 0.71 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.70 1i50 n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1i50 s ILE 848 N -2.43 4.54 0.16 2.12 1.01 0.31 -3.83 121.20 123.08 1i50 s ILE 848 Ca 0.31 1.83 0.04 0.00 0.00 0.00 0.00 60.65 62.83 1i50 s ILE 848 Cb 0.20 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1i50 s ILE 848 CO 0.46 -0.27 -0.09 -0.32 0.00 0.00 0.00 174.94 174.73 1i50 s MET 849 N 3.43 1.10 -0.26 2.79 -2.45 -0.48 -1.60 119.30 121.84 1i50 s MET 849 Ca 0.47 -1.49 -0.16 0.00 -1.25 0.00 0.00 55.69 53.26 1i50 s MET 849 Cb -0.16 -0.62 -0.03 0.00 1.25 0.00 0.00 34.83 35.27 1i50 s MET 849 CO 0.11 0.05 0.42 0.08 1.05 0.00 0.00 175.02 176.72 1i50 s VAL 850 N -3.34 5.15 0.78 10.11 1.01 -0.99 -1.78 120.40 131.33 1i50 s VAL 850 Ca 0.19 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1i50 s VAL 850 Cb 0.03 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.82 1i50 s VAL 850 CO 0.02 0.15 1.07 -1.00 0.00 0.00 0.00 175.10 175.33 1i50 s HIS 851 N 2.07 1.57 -0.50 5.22 3.76 -0.45 0.34 115.29 127.30 1i50 s HIS 851 Ca 0.17 -0.15 0.21 0.00 -0.15 0.00 0.00 55.06 55.14 1i50 s HIS 851 Cb -0.16 -3.24 0.94 0.00 1.11 0.00 0.00 32.58 31.24 1i50 s HIS 851 CO 0.09 -1.93 1.65 0.66 -0.85 0.00 0.00 174.74 174.36 1i50 n TYR 852 N -3.04 0.67 1.49 1.40 4.02 -1.26 -1.47 117.16 118.97 1i50 n TYR 852 Ca 0.15 0.28 0.12 0.00 -0.01 0.00 0.00 57.90 58.45 1i50 n TYR 852 Cb 0.60 -0.96 0.51 0.00 -0.02 0.00 0.00 39.34 39.48 1i50 n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1i50 n ASP 853 N -2.13 1.27 0.00 7.72 5.68 -1.26 -4.88 116.55 122.95 1i50 n ASP 853 Ca 0.01 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 1i50 n ASP 853 Cb 0.18 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1i50 n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1i50 n ASN 854 N 0.02 -2.75 -4.86 -1.12 3.02 -0.54 -5.01 115.26 104.02 1i50 n ASN 854 Ca 0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.42 1i50 n ASN 854 Cb 0.29 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 1i50 n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i50 s THR 855 N -2.18 4.70 -0.22 3.41 -1.32 -1.26 -2.33 115.64 116.45 1i50 s THR 855 Ca 0.00 0.82 -0.03 0.00 -1.21 0.00 0.00 61.69 61.27 1i50 s THR 855 Cb 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.27 1i50 s THR 855 CO 0.00 -0.56 -0.08 -0.89 -2.21 0.00 0.00 174.62 170.88 1i50 s THR 856 N -2.44 3.03 0.17 5.08 2.01 -0.43 -1.34 115.64 121.73 1i50 s THR 856 Ca 0.54 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1i50 s THR 856 Cb -0.10 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1i50 s THR 856 CO 0.31 0.41 0.03 -0.13 -0.69 0.00 0.00 174.62 174.56 1i50 s ARG 857 N 1.42 1.08 0.50 4.92 0.52 -0.74 -0.94 118.95 125.72 1i50 s ARG 857 Ca 0.05 -1.53 0.09 0.00 -0.52 0.00 0.00 55.73 53.81 1i50 s ARG 857 Cb -0.14 -0.08 0.05 0.00 0.52 0.00 0.00 34.95 35.30 1i50 s ARG 857 CO -0.05 -0.20 0.66 0.54 0.02 0.00 0.00 175.30 176.27 1i50 s ASN 858 N -3.15 5.29 0.43 0.23 6.03 -1.10 -1.38 114.94 121.30 1i50 s ASN 858 Ca 0.26 -0.69 0.22 0.00 -1.03 0.00 0.00 52.86 51.61 1i50 s ASN 858 Cb 0.07 -0.12 1.19 0.00 -3.03 0.00 0.00 41.25 39.36 1i50 s ASN 858 CO 0.05 -1.06 1.78 0.77 -2.03 0.00 0.00 177.10 176.60 1i50 h SER 859 N 0.44 0.35 -0.09 3.54 4.64 -1.93 0.74 113.55 121.24 1i50 h SER 859 Ca -0.35 0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 1i50 h SER 859 Cb 1.28 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1i50 h SER 859 CO 0.44 0.07 -0.25 -0.07 -0.87 0.00 0.00 176.83 176.15 1i50 h LEU 860 N 0.31 0.53 0.00 5.97 3.38 -1.95 -3.47 115.31 120.09 1i50 h LEU 860 Ca 0.58 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1i50 h LEU 860 Cb 1.63 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1i50 h LEU 860 CO -0.24 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1i50 n GLY 861 N -0.34 1.08 3.77 0.83 0.00 0.25 -5.10 105.19 105.68 1i50 n GLY 861 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1i50 n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i50 s ASN 862 N -1.01 6.15 -0.12 1.61 0.01 -1.26 -4.80 114.94 115.53 1i50 s ASN 862 Ca 0.00 2.34 -0.25 0.00 -0.71 0.00 0.00 52.86 54.25 1i50 s ASN 862 Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1i50 s ASN 862 CO 0.00 -0.93 0.79 -0.69 -1.51 0.00 0.00 177.10 174.76 1i50 s VAL 863 N -1.51 4.95 -0.22 1.60 1.01 -1.26 -2.71 120.40 122.24 1i50 s VAL 863 Ca 0.63 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 64.11 1i50 s VAL 863 Cb -0.30 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1i50 s VAL 863 CO 0.36 0.12 -0.27 -0.38 0.00 0.00 0.00 175.10 174.93 1i50 n ILE 864 N 4.31 1.23 -4.69 2.22 5.41 -0.12 -4.96 119.36 122.76 1i50 n ILE 864 Ca 0.02 -0.34 -0.24 0.00 1.00 0.00 0.00 62.75 63.19 1i50 n ILE 864 Cb 0.50 -1.72 -0.16 0.00 -0.71 0.00 0.00 39.64 37.55 1i50 n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1i50 s GLN 865 N -2.41 1.56 0.10 0.38 -0.21 -1.10 -4.93 119.66 113.05 1i50 s GLN 865 Ca -0.31 -0.51 0.22 0.00 0.02 0.00 0.00 55.36 54.78 1i50 s GLN 865 Cb 0.11 -1.37 0.89 0.00 1.00 0.00 0.00 33.01 33.64 1i50 s GLN 865 CO 0.41 0.18 1.69 1.19 -2.12 0.00 0.00 175.29 176.64 1i50 n PHE 866 N 3.26 0.37 -3.64 0.91 3.01 -1.26 -1.31 117.46 118.79 1i50 n PHE 866 Ca -0.19 0.13 -0.07 0.00 1.01 0.00 0.00 57.45 58.33 1i50 n PHE 866 Cb 0.53 -0.71 -0.07 0.00 -0.01 0.00 0.00 39.48 39.22 1i50 n PHE 866 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1i50 s ILE 867 N -3.10 0.00 0.16 4.37 2.07 -1.25 -4.32 121.20 119.12 1i50 s ILE 867 Ca 0.08 0.00 -0.34 0.00 -1.41 0.00 0.00 60.65 58.98 1i50 s ILE 867 Cb 0.12 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.57 1i50 s ILE 867 CO 0.41 0.00 1.48 0.00 -1.91 0.00 0.00 174.94 174.92 1i50 n TYR 868 N 3.96 2.04 -1.20 3.50 9.36 -0.98 -1.62 117.16 132.22 1i50 n TYR 868 Ca -0.19 0.40 -0.08 0.00 3.32 0.00 0.00 57.90 61.34 1i50 n TYR 868 Cb 0.58 -2.47 -0.04 0.00 -0.63 0.00 0.00 39.34 36.79 1i50 n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1i50 n GLY 869 N 2.95 0.79 2.70 2.98 0.00 -1.26 -0.13 105.19 113.22 1i50 n GLY 869 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1i50 n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i50 n GLU 870 N -0.44 -1.39 0.00 1.61 1.02 -0.64 -4.66 120.64 116.14 1i50 n GLU 870 Ca -0.08 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1i50 n GLU 870 Cb 0.54 -4.41 0.00 0.00 -0.02 0.00 0.00 31.44 27.55 1i50 n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1i50 n ASP 871 N -0.69 0.00 0.00 1.62 5.68 -0.85 -4.68 116.55 117.62 1i50 n ASP 871 Ca -0.00 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.42 1i50 n ASP 871 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1i50 n ASP 871 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i50 n GLY 872 N 0.00 0.71 3.85 6.12 0.00 0.81 -4.90 105.19 111.79 1i50 n GLY 872 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1i50 n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i50 s MET 873 N -0.39 3.92 -0.16 1.61 -1.94 -1.26 -1.17 119.30 119.92 1i50 s MET 873 Ca 0.00 0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 54.55 1i50 s MET 873 Cb 0.00 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.53 1i50 s MET 873 CO 0.00 -0.10 0.51 0.34 -0.01 0.00 0.00 175.02 175.76 1i50 s ASP 874 N -2.90 6.63 0.54 3.03 -1.08 -0.43 -4.53 116.67 117.93 1i50 s ASP 874 Ca 0.56 0.76 0.24 0.00 -0.52 0.00 0.00 52.55 53.58 1i50 s ASP 874 Cb -0.10 -2.29 1.42 0.00 -1.46 0.00 0.00 42.92 40.48 1i50 s ASP 874 CO 0.27 -0.10 2.04 0.00 0.52 0.00 0.00 175.17 177.91 1i50 h ALA 875 N 7.10 2.27 0.00 3.66 0.00 -1.89 0.11 119.26 130.50 1i50 h ALA 875 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1i50 h ALA 875 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i50 h ALA 875 CO 0.75 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1i50 n ALA 876 N -2.56 2.20 -0.89 0.00 0.00 -1.26 -2.73 120.51 115.27 1i50 n ALA 876 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1i50 n ALA 876 Cb 0.45 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.74 1i50 n ALA 876 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i50 n HIS 877 N -1.05 0.28 -4.58 0.00 8.25 0.37 -4.87 115.22 113.62 1i50 n HIS 877 Ca 0.14 -0.89 -0.34 0.00 -0.26 0.00 0.00 57.72 56.37 1i50 n HIS 877 Cb 0.08 -0.18 -0.11 0.00 1.12 0.00 0.00 29.99 30.90 1i50 n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1i50 s ILE 878 N -2.57 3.75 0.05 1.59 1.01 -1.11 -4.14 121.20 119.78 1i50 s ILE 878 Ca 0.31 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.54 1i50 s ILE 878 Cb 0.26 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1i50 s ILE 878 CO 0.05 0.58 -0.11 -1.61 0.00 0.00 0.00 174.94 173.85 1i50 s GLU 879 N -0.56 0.68 -0.03 2.79 2.02 0.72 -4.73 118.70 119.59 1i50 s GLU 879 Ca 0.08 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 1i50 s GLU 879 Cb -0.12 -0.58 -0.06 0.00 0.10 0.00 0.00 34.13 33.47 1i50 s GLU 879 CO 0.02 0.13 1.59 0.21 0.02 0.00 0.00 175.26 177.22 1i50 s LYS 880 N -1.48 4.20 0.10 1.61 2.20 -1.26 0.31 119.74 125.42 1i50 s LYS 880 Ca -0.05 2.14 0.04 0.00 -0.36 0.00 0.00 55.97 57.75 1i50 s LYS 880 Cb -0.09 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1i50 s LYS 880 CO 0.01 -0.77 -0.12 -0.65 -0.36 0.00 0.00 175.35 173.46 1i50 s GLN 881 N 3.50 0.87 -0.31 4.03 -0.21 -0.63 -4.88 119.66 122.03 1i50 s GLN 881 Ca 0.71 -1.12 -0.17 0.00 0.02 0.00 0.00 55.36 54.80 1i50 s GLN 881 Cb -0.33 -0.67 -0.02 0.00 1.00 0.00 0.00 33.01 32.99 1i50 s GLN 881 CO 0.28 0.12 0.46 0.45 -2.12 0.00 0.00 175.29 174.49 1i50 s SER 882 N -2.26 6.32 -1.04 5.90 0.15 -1.26 -0.65 113.70 120.86 1i50 s SER 882 Ca 0.04 0.17 -0.20 0.00 0.70 0.00 0.00 55.95 56.67 1i50 s SER 882 Cb -0.05 -2.25 0.10 0.00 -1.71 0.00 0.00 66.02 62.11 1i50 s SER 882 CO 0.01 -0.34 1.35 -0.76 1.20 0.00 0.00 173.24 174.70 1i50 s LEU 883 N 2.26 4.34 0.16 3.45 1.43 0.16 -4.88 118.68 125.59 1i50 s LEU 883 Ca 0.18 -1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 51.14 1i50 s LEU 883 Cb -0.16 -2.48 0.08 0.00 0.03 0.00 0.00 46.19 43.66 1i50 s LEU 883 CO 0.11 -1.20 1.73 0.44 0.23 0.00 0.00 176.35 177.66 1i50 h ASP 884 N 8.86 0.04 -1.29 2.29 3.32 -1.95 -2.95 116.42 124.74 1i50 h ASP 884 Ca 0.22 0.06 0.40 0.00 0.02 0.00 0.00 57.03 57.73 1i50 h ASP 884 Cb 0.98 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 1i50 h ASP 884 CO 1.28 0.06 0.89 0.41 -1.72 0.00 0.00 179.24 180.17 1i50 n THR 885 N -5.07 -0.09 0.15 0.35 -1.04 -1.26 -0.58 114.28 106.73 1i50 n THR 885 Ca 0.02 1.24 0.07 0.00 -2.04 0.00 0.00 64.05 63.33 1i50 n THR 885 Cb 0.16 -2.05 0.06 0.00 -1.82 0.00 0.00 70.33 66.67 1i50 n THR 885 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1i50 h ILE 886 N 0.00 0.42 -2.08 12.58 2.10 -1.85 -3.43 117.51 125.24 1i50 h ILE 886 Ca 0.69 -1.63 -0.44 0.00 1.08 0.00 0.00 64.86 64.57 1i50 h ILE 886 Cb 2.54 2.12 0.02 0.00 -1.09 0.00 0.00 36.82 40.41 1i50 h ILE 886 CO -0.17 0.24 -0.22 -0.83 -1.08 0.00 0.00 178.15 176.09 1i50 s GLY 887 N -4.40 1.69 0.28 8.18 0.00 0.25 -4.98 107.32 108.34 1i50 s GLY 887 Ca 0.04 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1i50 s GLY 887 CO 0.73 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 173.22 1i50 n GLY 888 N -1.90 -2.21 3.66 0.20 0.00 -1.26 -4.81 105.19 98.88 1i50 n GLY 888 Ca 0.03 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 1i50 n GLY 888 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i50 n SER 889 N -3.49 0.45 -0.03 1.61 3.41 -1.26 -3.72 113.62 110.58 1i50 n SER 889 Ca -0.02 0.48 -0.07 0.00 -0.26 0.00 0.00 58.87 59.00 1i50 n SER 889 Cb 0.42 -1.47 0.11 0.00 -0.26 0.00 0.00 64.21 63.00 1i50 n SER 889 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1i50 h ASP 890 N -1.53 0.66 -0.65 4.04 3.32 -1.65 -1.75 116.42 118.87 1i50 h ASP 890 Ca -0.44 -0.27 0.11 0.00 0.02 0.00 0.00 57.03 56.45 1i50 h ASP 890 Cb 1.28 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.57 1i50 h ASP 890 CO 0.42 0.94 0.24 0.00 -1.72 0.00 0.00 179.24 179.13 1i50 h ALA 891 N 1.10 0.86 -0.43 3.45 0.00 -1.93 0.14 119.26 122.45 1i50 h ALA 891 Ca 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1i50 h ALA 891 Cb 0.83 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1i50 h ALA 891 CO 0.07 -0.19 0.20 0.00 0.00 0.00 0.00 179.25 179.33 1i50 h ALA 892 N 1.45 0.55 -0.51 0.00 0.00 -1.86 0.10 119.26 119.01 1i50 h ALA 892 Ca 0.34 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1i50 h ALA 892 Cb 0.44 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1i50 h ALA 892 CO -0.34 0.12 0.19 0.35 0.00 0.00 0.00 179.25 179.57 1i50 h PHE 893 N 0.55 0.33 -0.32 0.00 3.57 -0.07 -1.79 116.94 119.22 1i50 h PHE 893 Ca 0.15 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 1i50 h PHE 893 Cb 0.13 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1i50 h PHE 893 CO -0.01 0.11 -0.45 1.49 -2.23 0.00 0.00 178.31 177.22 1i50 h GLU 894 N 0.37 0.84 -0.61 1.11 4.81 -0.44 -1.95 114.58 118.71 1i50 h GLU 894 Ca 0.24 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1i50 h GLU 894 Cb 0.25 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1i50 h GLU 894 CO -0.24 1.11 0.40 0.87 -0.73 0.00 0.00 179.01 180.41 1i50 h LYS 895 N 0.67 0.81 0.00 1.92 1.57 -0.47 -0.26 116.57 120.81 1i50 h LYS 895 Ca 0.04 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1i50 h LYS 895 Cb 1.03 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.17 1i50 h LYS 895 CO 0.10 0.54 -0.39 -0.09 -0.57 0.00 0.00 179.45 179.05 1i50 h ARG 896 N 0.83 0.26 0.00 3.15 2.43 -1.17 -3.40 114.38 116.48 1i50 h ARG 896 Ca 0.22 -0.28 -0.21 0.00 -0.81 0.00 0.00 59.98 58.90 1i50 h ARG 896 Cb -0.08 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1i50 h ARG 896 CO -0.05 0.99 -2.14 0.66 -1.51 0.00 0.00 179.97 177.93 1i50 n TYR 897 N -4.39 0.00 -1.77 2.20 4.02 -0.75 -4.44 117.16 112.02 1i50 n TYR 897 Ca -0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.37 1i50 n TYR 897 Cb 0.57 -0.75 -0.03 0.00 -0.02 0.00 0.00 39.34 39.12 1i50 n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1i50 s ARG 898 N -2.79 4.15 -0.20 -0.72 6.06 -0.11 -4.60 118.95 120.73 1i50 s ARG 898 Ca -0.08 2.51 0.00 0.00 -2.50 0.00 0.00 55.73 55.66 1i50 s ARG 898 Cb 0.08 -3.78 0.05 0.00 0.06 0.00 0.00 34.95 31.36 1i50 s ARG 898 CO 0.78 -0.85 -0.06 0.08 -2.50 0.00 0.00 175.30 172.75 1i50 s VAL 899 N 3.29 1.39 -0.50 7.11 1.01 -1.26 -4.89 120.40 126.56 1i50 s VAL 899 Ca 0.81 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1i50 s VAL 899 Cb -0.43 -1.59 0.13 0.00 0.00 0.00 0.00 36.38 34.50 1i50 s VAL 899 CO 0.36 0.04 0.25 -0.62 0.00 0.00 0.00 175.10 175.14 1i50 s ASP 900 N 1.49 4.60 0.64 3.32 -1.08 0.24 -4.84 116.67 121.03 1i50 s ASP 900 Ca -0.02 -2.79 0.42 0.00 -0.52 0.00 0.00 52.55 49.64 1i50 s ASP 900 Cb -0.17 -1.69 2.22 0.00 -1.46 0.00 0.00 42.92 41.83 1i50 s ASP 900 CO -0.07 -0.30 2.31 -0.07 0.52 0.00 0.00 175.17 177.56 1i50 h LEU 901 N 6.86 0.00 -2.87 -1.34 3.38 -1.91 -2.06 115.31 117.37 1i50 h LEU 901 Ca -0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1i50 h LEU 901 Cb 0.93 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 1i50 h LEU 901 CO 0.66 0.00 0.22 0.18 0.09 0.00 0.00 178.44 179.60 1i50 n LEU 902 N -3.17 4.56 -3.43 1.67 4.77 -1.26 0.05 117.00 120.20 1i50 n LEU 902 Ca -0.02 -2.37 -0.12 0.00 -0.03 0.00 0.00 56.01 53.46 1i50 n LEU 902 Cb 0.11 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 1i50 n LEU 902 CO 0.22 0.67 -0.10 0.21 -1.33 0.00 0.00 177.39 177.06 1i50 s ASN 903 N -0.37 0.57 0.41 -1.43 3.04 -0.78 -4.94 114.94 111.45 1i50 s ASN 903 Ca 0.32 0.15 0.33 0.00 0.04 0.00 0.00 52.86 53.69 1i50 s ASN 903 Cb 0.26 0.88 1.37 0.00 -1.54 0.00 0.00 41.25 42.22 1i50 s ASN 903 CO 0.07 -0.30 1.37 0.35 -3.04 0.00 0.00 177.10 175.56 1i50 n THR 904 N 5.35 -0.17 0.01 -5.21 -2.24 -1.26 -1.39 114.28 109.37 1i50 n THR 904 Ca -0.05 1.52 -0.22 0.00 -2.27 0.00 0.00 64.05 63.03 1i50 n THR 904 Cb 0.50 -2.50 -0.14 0.00 -2.10 0.00 0.00 70.33 66.09 1i50 n THR 904 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1i50 h ASP 905 N 0.00 0.42 -0.96 3.42 3.32 -1.95 -3.40 116.42 117.27 1i50 h ASP 905 Ca 0.79 -0.91 -0.57 0.00 0.02 0.00 0.00 57.03 56.35 1i50 h ASP 905 Cb 2.71 -0.14 -0.29 0.00 0.22 0.00 0.00 39.33 41.83 1i50 h ASP 905 CO -0.31 1.81 0.73 1.41 -1.72 0.00 0.00 179.24 181.16 1i50 n HIS 906 N -3.61 3.03 -3.56 4.55 8.25 -0.49 -4.94 115.22 118.46 1i50 n HIS 906 Ca -0.30 -2.34 -0.23 0.00 -0.26 0.00 0.00 57.72 54.60 1i50 n HIS 906 Cb 1.02 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1i50 n HIS 906 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1i50 s THR 907 N -3.85 2.10 -0.24 1.59 2.01 -1.12 0.79 115.64 116.91 1i50 s THR 907 Ca 0.58 -1.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 1i50 s THR 907 Cb 0.48 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1i50 s THR 907 CO 0.05 0.00 0.91 -0.76 -0.69 0.00 0.00 174.62 174.14 1i50 s LEU 908 N -4.34 4.08 0.33 4.42 1.43 -1.26 -4.90 118.68 118.45 1i50 s LEU 908 Ca 0.45 1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 1i50 s LEU 908 Cb -0.04 -3.32 -0.12 0.00 0.03 0.00 0.00 46.19 42.74 1i50 s LEU 908 CO 0.28 -0.59 1.48 -0.67 0.23 0.00 0.00 176.35 177.07 1i50 n ASP 909 N 6.17 3.54 0.00 2.29 -0.08 -1.26 -4.81 116.55 122.39 1i50 n ASP 909 Ca 0.08 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 1i50 n ASP 909 Cb 0.47 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.36 1i50 n ASP 909 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1i50 n PRO 910 N 1.10 0.00 0.01 -0.67 -0.04 -1.26 -1.78 135.00 132.36 1i50 n PRO 910 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1i50 n PRO 910 Cb 0.37 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1i50 n PRO 910 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1i50 n SER 911 N -0.90 0.46 0.10 3.54 3.41 -1.26 -4.08 113.62 114.89 1i50 n SER 911 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1i50 n SER 911 Cb 0.00 0.91 -0.02 0.00 -0.26 0.00 0.00 64.21 64.84 1i50 n SER 911 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1i50 h LEU 912 N 0.00 0.00 -8.33 1.04 3.38 -1.71 -3.17 115.31 106.52 1i50 h LEU 912 Ca -0.14 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.34 1i50 h LEU 912 Cb 1.38 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.87 1i50 h LEU 912 CO 0.02 0.60 -0.81 -0.22 0.09 0.00 0.00 178.44 178.12 1i50 s LEU 913 N -6.36 2.12 0.04 1.67 2.96 -1.24 -1.72 118.68 116.15 1i50 s LEU 913 Ca 0.02 -0.40 -0.28 0.00 -0.22 0.00 0.00 54.13 53.26 1i50 s LEU 913 Cb 0.08 -0.73 -0.17 0.00 0.50 0.00 0.00 46.19 45.87 1i50 s LEU 913 CO 0.77 0.11 1.41 -0.08 -1.32 0.00 0.00 176.35 177.25 1i50 h GLU 914 N 5.24 -0.56 -1.03 1.98 4.81 0.15 -2.40 114.58 122.77 1i50 h GLU 914 Ca -0.38 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 1i50 h GLU 914 Cb 1.17 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 1i50 h GLU 914 CO 0.46 -0.28 0.08 -1.13 -0.73 0.00 0.00 179.01 177.41 1i50 n SER 915 N -5.27 3.18 -0.12 1.04 3.41 -1.26 -4.46 113.62 110.14 1i50 n SER 915 Ca -0.11 -2.21 -0.07 0.00 -0.26 0.00 0.00 58.87 56.22 1i50 n SER 915 Cb 0.28 -0.56 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1i50 n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1i50 h GLY 916 N 3.60 0.55 0.86 5.00 0.00 -1.65 -3.09 103.07 108.33 1i50 h GLY 916 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1i50 h GLY 916 CO 0.14 0.14 -0.09 1.48 0.00 0.00 0.00 176.54 178.21 1i50 h SER 917 N 0.45 0.52 0.00 0.19 4.64 -1.83 -3.11 113.55 114.41 1i50 h SER 917 Ca 0.16 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1i50 h SER 917 Cb 0.03 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1i50 h SER 917 CO -0.09 0.78 0.00 -1.84 -0.87 0.00 0.00 176.83 174.82 1i50 n GLU 918 N -4.52 0.93 -0.01 4.77 0.28 -1.22 -2.74 120.64 118.13 1i50 n GLU 918 Ca -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.98 1i50 n GLU 918 Cb 0.32 -1.06 -0.13 0.00 1.43 0.00 0.00 31.44 32.00 1i50 n GLU 918 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1i50 n ILE 919 N -0.56 0.82 -1.64 3.84 5.41 -1.17 -4.84 119.36 121.22 1i50 n ILE 919 Ca 0.03 -0.67 -0.50 0.00 1.00 0.00 0.00 62.75 62.61 1i50 n ILE 919 Cb 0.01 -0.39 -0.05 0.00 -0.71 0.00 0.00 39.64 38.50 1i50 n ILE 919 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1i50 n LEU 920 N -2.63 2.47 -1.08 1.39 0.00 -1.11 -1.56 117.00 114.48 1i50 n LEU 920 Ca -0.14 1.09 -0.12 0.00 0.00 0.00 0.00 56.01 56.83 1i50 n LEU 920 Cb 0.82 -1.30 -0.04 0.00 0.00 0.00 0.00 43.42 42.90 1i50 n LEU 920 CO 0.44 -0.59 -0.13 0.61 0.00 0.00 0.00 177.39 177.71 1i50 n GLY 921 N 3.19 0.97 3.51 -3.96 0.00 0.11 -4.97 105.19 104.04 1i50 n GLY 921 Ca 0.19 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1i50 n GLY 921 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i50 s ASP 922 N -2.76 6.21 0.14 1.61 -1.08 -0.60 -4.94 116.67 115.25 1i50 s ASP 922 Ca 0.00 -0.82 -0.25 0.00 -0.52 0.00 0.00 52.55 50.96 1i50 s ASP 922 Cb 0.00 -2.50 -0.02 0.00 -1.46 0.00 0.00 42.92 38.95 1i50 s ASP 922 CO 0.00 -1.62 1.62 -0.07 0.52 0.00 0.00 175.17 175.62 1i50 h LEU 923 N 12.22 -0.86 -0.89 -1.34 3.38 -1.93 -1.42 115.31 124.47 1i50 h LEU 923 Ca -0.23 0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1i50 h LEU 923 Cb 1.05 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 1i50 h LEU 923 CO 1.24 -0.33 0.56 0.11 0.09 0.00 0.00 178.44 180.12 1i50 h LYS 924 N -0.35 1.01 -0.39 1.13 1.57 -2.01 -2.28 116.57 115.25 1i50 h LYS 924 Ca 0.10 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1i50 h LYS 924 Cb 0.50 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1i50 h LYS 924 CO -0.32 0.67 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.98 1i50 h LEU 925 N 1.04 0.84 -2.33 2.94 3.38 -1.93 -2.73 115.31 116.52 1i50 h LEU 925 Ca 0.38 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1i50 h LEU 925 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1i50 h LEU 925 CO -0.16 1.05 0.20 1.56 0.09 0.00 0.00 178.44 181.18 1i50 h GLN 926 N 0.62 0.00 -0.13 1.13 1.08 -0.69 0.23 115.11 117.35 1i50 h GLN 926 Ca 0.09 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.10 1i50 h GLN 926 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1i50 h GLN 926 CO 0.05 0.00 -0.72 0.28 -0.95 0.00 0.00 178.83 177.50 1i50 h VAL 927 N 0.00 1.33 -0.26 -0.54 2.07 -1.15 -1.48 116.25 116.22 1i50 h VAL 927 Ca 0.05 -2.02 -0.06 0.00 0.82 0.00 0.00 66.70 65.50 1i50 h VAL 927 Cb 0.45 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1i50 h VAL 927 CO -0.00 0.62 -0.07 -0.07 0.02 0.00 0.00 177.57 178.08 1i50 h LEU 928 N 0.41 0.51 -1.73 2.57 3.38 -0.60 -2.65 115.31 117.20 1i50 h LEU 928 Ca -0.03 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1i50 h LEU 928 Cb 1.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1i50 h LEU 928 CO 0.13 0.76 -0.15 -0.07 0.09 0.00 0.00 178.44 179.21 1i50 h LEU 929 N 0.25 0.00 0.00 1.67 3.38 -1.17 -2.22 115.31 117.23 1i50 h LEU 929 Ca 0.07 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1i50 h LEU 929 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1i50 h LEU 929 CO 0.03 0.15 -0.98 0.44 0.09 0.00 0.00 178.44 178.16 1i50 h ASP 930 N 0.00 0.00 -0.44 -0.43 3.32 -1.16 -2.57 116.42 115.14 1i50 h ASP 930 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1i50 h ASP 930 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1i50 h ASP 930 CO 0.02 0.97 0.05 -0.33 -1.72 0.00 0.00 179.24 178.23 1i50 h GLU 931 N 0.00 0.75 -0.29 3.56 5.08 -1.05 -1.24 114.58 121.38 1i50 h GLU 931 Ca -0.01 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1i50 h GLU 931 Cb 1.75 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.90 1i50 h GLU 931 CO 0.13 0.79 -0.09 1.49 -1.00 0.00 0.00 179.01 180.32 1i50 h GLU 932 N 0.60 0.48 0.14 2.33 4.81 -1.43 -2.35 114.58 119.16 1i50 h GLU 932 Ca 0.13 -0.13 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1i50 h GLU 932 Cb 0.42 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.76 1i50 h GLU 932 CO 0.01 0.58 -1.26 -0.92 -0.73 0.00 0.00 179.01 176.70 1i50 h TYR 933 N 0.45 0.82 -0.26 0.92 3.20 -1.24 -2.39 116.97 118.48 1i50 h TYR 933 Ca 0.09 -0.54 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 1i50 h TYR 933 Cb 0.44 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1i50 h TYR 933 CO 0.01 1.40 -0.05 0.87 -1.64 0.00 0.00 178.16 178.75 1i50 h LYS 934 N 0.19 0.40 -0.28 1.82 1.57 -1.16 -0.38 116.57 118.73 1i50 h LYS 934 Ca -0.18 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.35 1i50 h LYS 934 Cb 1.94 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.19 1i50 h LYS 934 CO 0.23 0.47 -0.50 0.37 -0.57 0.00 0.00 179.45 179.45 1i50 h GLN 935 N 0.38 0.80 -0.37 3.15 5.75 -1.41 -1.47 115.11 121.94 1i50 h GLN 935 Ca 0.08 -0.48 -0.08 0.00 -0.15 0.00 0.00 58.65 58.01 1i50 h GLN 935 Cb 0.34 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1i50 h GLN 935 CO 0.01 1.11 -0.12 -0.07 -2.65 0.00 0.00 178.83 177.12 1i50 h LEU 936 N 0.63 0.65 -0.51 -2.39 3.38 -0.85 -0.97 115.31 115.24 1i50 h LEU 936 Ca 0.02 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 1i50 h LEU 936 Cb 1.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1i50 h LEU 936 CO 0.11 0.79 -0.61 0.58 0.09 0.00 0.00 178.44 179.41 1i50 h VAL 937 N 0.60 1.34 -0.15 1.22 2.07 -0.94 -2.08 116.25 118.32 1i50 h VAL 937 Ca 0.11 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 1i50 h VAL 937 Cb 0.56 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1i50 h VAL 937 CO 0.03 0.58 0.01 0.11 0.02 0.00 0.00 177.57 178.33 1i50 h LYS 938 N 0.35 0.25 -0.60 1.57 1.57 -1.01 -2.42 116.57 116.29 1i50 h LYS 938 Ca -0.01 -0.08 0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1i50 h LYS 938 Cb 1.15 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.35 1i50 h LYS 938 CO 0.11 0.47 0.14 -0.44 -0.57 0.00 0.00 179.45 179.16 1i50 h ASP 939 N 0.01 0.03 -0.39 0.86 5.19 -1.10 0.31 116.42 121.32 1i50 h ASP 939 Ca 0.04 0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1i50 h ASP 939 Cb 0.35 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1i50 h ASP 939 CO 0.01 0.03 0.21 -0.09 -3.12 0.00 0.00 179.24 176.27 1i50 h ARG 940 N 0.28 0.41 0.37 3.56 2.43 -1.23 0.26 114.38 120.47 1i50 h ARG 940 Ca 0.31 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1i50 h ARG 940 Cb 0.46 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1i50 h ARG 940 CO -0.39 0.27 -0.26 0.87 -1.51 0.00 0.00 179.97 178.96 1i50 h LYS 941 N 0.43 -0.59 -0.29 0.20 1.79 -0.53 -1.09 116.57 116.48 1i50 h LYS 941 Ca 0.16 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 1i50 h LYS 941 Cb 0.05 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 30.75 1i50 h LYS 941 CO -0.10 -0.40 -0.37 0.35 -1.08 0.00 0.00 179.45 177.86 1i50 h PHE 942 N -0.62 -1.04 -0.82 -1.35 3.57 -0.08 -1.52 116.94 115.08 1i50 h PHE 942 Ca -0.04 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1i50 h PHE 942 Cb 0.52 0.50 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 1i50 h PHE 942 CO -0.11 -0.42 0.50 -0.07 -2.23 0.00 0.00 178.31 175.98 1i50 h LEU 943 N -0.35 0.78 -0.70 0.59 3.38 -0.30 -0.71 115.31 118.01 1i50 h LEU 943 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1i50 h LEU 943 Cb 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1i50 h LEU 943 CO -0.48 0.49 0.00 0.54 0.09 0.00 0.00 178.44 179.08 1i50 n ARG 944 N -4.66 0.11 -0.00 1.13 1.74 -0.43 -1.02 116.66 113.54 1i50 n ARG 944 Ca 0.12 0.48 -0.21 0.00 -0.77 0.00 0.00 57.85 57.46 1i50 n ARG 944 Cb 0.18 -1.77 -0.14 0.00 -1.02 0.00 0.00 32.46 29.71 1i50 n ARG 944 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1i50 n GLU 945 N -1.99 0.76 -0.05 5.56 1.02 -0.31 -3.59 120.64 122.03 1i50 n GLU 945 Ca 0.01 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1i50 n GLU 945 Cb 0.12 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.77 1i50 n GLU 945 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1i50 h VAL 946 N 0.07 1.33 -2.58 2.62 2.07 -0.93 -3.30 116.25 115.53 1i50 h VAL 946 Ca -0.43 -1.17 -0.72 0.00 0.82 0.00 0.00 66.70 65.20 1i50 h VAL 946 Cb 2.03 1.82 -0.34 0.00 -1.52 0.00 0.00 31.29 33.28 1i50 h VAL 946 CO 0.08 0.34 0.17 0.49 0.02 0.00 0.00 177.57 178.67 1i50 n PHE 947 N -4.64 2.88 0.15 1.57 3.01 -0.18 -4.85 117.46 115.39 1i50 n PHE 947 Ca -0.06 -3.28 0.18 0.00 1.01 0.00 0.00 57.45 55.30 1i50 n PHE 947 Cb 0.31 -0.94 0.67 0.00 -0.01 0.00 0.00 39.48 39.51 1i50 n PHE 947 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1i50 h VAL 948 N 3.29 0.18 0.18 -4.37 2.07 -1.64 -0.06 116.25 115.90 1i50 h VAL 948 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1i50 h VAL 948 Cb 0.63 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1i50 h VAL 948 CO 1.11 0.00 -0.09 -0.78 0.02 0.00 0.00 177.57 177.84 1i50 h ASP 949 N 0.00 -0.20 0.00 0.57 1.82 -1.88 -3.47 116.42 113.26 1i50 h ASP 949 Ca 0.16 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1i50 h ASP 949 Cb 1.28 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1i50 h ASP 949 CO -0.00 -0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.23 1i50 n GLY 950 N -0.77 1.05 3.73 -0.78 0.00 -0.04 -4.69 105.19 103.70 1i50 n GLY 950 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1i50 n GLY 950 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i50 s GLU 951 N -0.01 4.14 -0.01 1.61 2.56 -1.26 -4.83 118.70 120.90 1i50 s GLU 951 Ca 0.00 2.55 0.11 0.00 0.00 0.00 0.00 54.97 57.62 1i50 s GLU 951 Cb 0.00 -3.06 -0.15 0.00 2.00 0.00 0.00 34.13 32.91 1i50 s GLU 951 CO 0.00 -0.66 0.29 0.00 -0.56 0.00 0.00 175.26 174.33 1i50 n ALA 952 N 3.13 2.66 -2.52 6.30 0.00 -1.26 -4.92 120.51 123.89 1i50 n ALA 952 Ca 0.12 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1i50 n ALA 952 Cb 0.37 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1i50 n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1i50 s ASN 953 N -2.88 6.16 -0.01 0.00 0.01 -1.26 0.39 114.94 117.36 1i50 s ASN 953 Ca -0.02 -0.39 0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1i50 s ASN 953 Cb 0.07 -2.19 -0.00 0.00 0.41 0.00 0.00 41.25 39.54 1i50 s ASN 953 CO 0.44 -0.38 -0.04 0.26 -1.51 0.00 0.00 177.10 175.86 1i50 s TRP 954 N 1.98 0.43 0.10 2.20 0.52 0.18 -4.83 118.94 119.52 1i50 s TRP 954 Ca 0.11 -0.08 -0.31 0.00 0.02 0.00 0.00 56.10 55.84 1i50 s TRP 954 Cb -0.17 -0.29 -0.09 0.00 -1.15 0.00 0.00 33.47 31.77 1i50 s TRP 954 CO 0.12 -0.02 1.67 -1.25 0.02 0.00 0.00 176.95 177.49 1i50 s PRO 955 N -0.03 4.19 0.06 4.98 0.04 -1.26 -1.60 135.00 141.38 1i50 s PRO 955 Ca 0.01 2.39 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 1i50 s PRO 955 Cb -0.03 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 1i50 s PRO 955 CO -0.00 -0.73 0.15 -0.51 0.04 0.00 0.00 177.00 175.95 1i50 s LEU 956 N 2.35 1.59 0.76 -3.56 1.43 0.15 -4.80 118.68 116.61 1i50 s LEU 956 Ca 0.74 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1i50 s LEU 956 Cb -0.42 0.84 0.05 0.00 0.03 0.00 0.00 46.19 46.70 1i50 s LEU 956 CO 0.33 -0.63 1.11 -2.16 0.23 0.00 0.00 176.35 175.23 1i50 s PRO 957 N -3.29 2.36 -0.10 1.29 0.04 -1.26 -0.20 135.00 133.84 1i50 s PRO 957 Ca 0.01 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.47 1i50 s PRO 957 Cb 0.03 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1i50 s PRO 957 CO -0.08 -1.39 0.14 0.28 0.04 0.00 0.00 177.00 175.99 1i50 n VAL 958 N -3.26-10.83 -2.63 -0.36 0.31 -1.26 -4.82 118.33 95.48 1i50 n VAL 958 Ca 0.07 2.39 -0.42 0.00 -0.01 0.00 0.00 64.34 66.37 1i50 n VAL 958 Cb 0.57 -5.64 -0.03 0.00 -0.91 0.00 0.00 33.84 27.83 1i50 n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1i50 s ASN 959 N -0.52 6.54 0.21 4.52 3.84 -1.26 -4.88 114.94 123.38 1i50 s ASN 959 Ca -0.17 -1.61 -0.10 0.00 0.21 0.00 0.00 52.86 51.20 1i50 s ASN 959 Cb 0.01 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.44 1i50 s ASN 959 CO 0.45 -1.41 1.73 0.40 -2.79 0.00 0.00 177.10 175.48 1i50 h ILE 960 N 6.56 0.74 -0.89 -5.21 2.04 -1.98 -2.01 117.51 116.77 1i50 h ILE 960 Ca 0.20 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 66.03 1i50 h ILE 960 Cb 1.01 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1i50 h ILE 960 CO 1.37 0.07 0.54 -0.09 0.00 0.00 0.00 178.15 180.04 1i50 h ARG 961 N 0.36 0.89 -0.30 2.37 2.43 -2.00 -0.92 114.38 117.22 1i50 h ARG 961 Ca 0.30 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1i50 h ARG 961 Cb 0.39 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1i50 h ARG 961 CO -0.32 0.59 0.00 -0.09 -1.51 0.00 0.00 179.97 178.64 1i50 h ARG 962 N 0.92 0.53 -0.83 0.20 2.43 -1.80 -0.97 114.38 114.86 1i50 h ARG 962 Ca 0.41 -0.17 0.10 0.00 -0.81 0.00 0.00 59.98 59.52 1i50 h ARG 962 Cb 0.31 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 1i50 h ARG 962 CO -0.22 0.67 0.47 0.82 -1.51 0.00 0.00 179.97 180.19 1i50 h ILE 963 N 0.32 0.88 -0.35 1.20 2.04 -0.77 -0.84 117.51 119.99 1i50 h ILE 963 Ca 0.09 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1i50 h ILE 963 Cb 0.43 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1i50 h ILE 963 CO 0.01 0.14 -0.17 0.40 0.00 0.00 0.00 178.15 178.54 1i50 h ILE 964 N 0.76 1.29 0.00 -0.67 2.04 -0.96 -1.54 117.51 118.43 1i50 h ILE 964 Ca 0.41 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1i50 h ILE 964 Cb 0.41 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1i50 h ILE 964 CO -0.27 0.42 -0.05 1.56 0.00 0.00 0.00 178.15 179.82 1i50 h GLN 965 N 0.52 0.00 0.22 2.37 4.20 -0.43 -1.44 115.11 120.56 1i50 h GLN 965 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1i50 h GLN 965 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1i50 h GLN 965 CO 0.05 0.05 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.24 1i50 h ASN 966 N 0.00 -0.25 -0.59 1.46 2.35 -0.76 -3.06 115.58 114.73 1i50 h ASN 966 Ca -0.00 -0.25 0.11 0.00 -0.55 0.00 0.00 56.30 55.61 1i50 h ASN 966 Cb 0.12 0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.44 1i50 h ASN 966 CO 0.01 0.26 -0.24 0.00 -1.65 0.00 0.00 177.43 175.80 1i50 h ALA 967 N -0.50 0.18 -0.08 -0.83 0.00 -0.76 0.39 119.26 117.66 1i50 h ALA 967 Ca -0.03 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1i50 h ALA 967 Cb 0.49 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1i50 h ALA 967 CO 0.05 -0.55 0.09 1.96 0.00 0.00 0.00 179.25 180.80 1i50 h GLN 968 N -0.09 0.00 0.08 0.00 4.20 -1.36 -1.11 115.11 116.82 1i50 h GLN 968 Ca 0.26 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.62 1i50 h GLN 968 Cb 0.51 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1i50 h GLN 968 CO -0.65 0.00 -2.03 0.94 -0.67 0.00 0.00 178.83 176.43 1i50 n GLN 969 N -3.77 0.72 -0.20 1.46 -0.06 0.49 -2.64 117.38 113.37 1i50 n GLN 969 Ca -0.01 0.24 -0.09 0.00 -2.00 0.00 0.00 57.00 55.15 1i50 n GLN 969 Cb 0.19 -1.69 0.02 0.00 -4.06 0.00 0.00 30.24 24.70 1i50 n GLN 969 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1i50 h THR 970 N 0.05 1.26 -0.59 1.69 2.02 0.22 -3.03 112.91 114.52 1i50 h THR 970 Ca -0.42 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 65.70 1i50 h THR 970 Cb 2.02 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 69.15 1i50 h THR 970 CO 0.06 0.35 0.10 0.49 0.37 0.00 0.00 175.52 176.90 1i50 n PHE 971 N -4.33 2.07 -3.74 3.16 3.01 -0.48 -4.95 117.46 112.19 1i50 n PHE 971 Ca 0.03 -0.96 -0.22 0.00 1.01 0.00 0.00 57.45 57.31 1i50 n PHE 971 Cb 0.27 -0.56 -0.06 0.00 -0.01 0.00 0.00 39.48 39.12 1i50 n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1i50 n HIS 972 N 0.13 -0.85 -1.79 1.38 8.25 -1.15 -4.72 115.22 116.48 1i50 n HIS 972 Ca 0.32 0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 57.72 1i50 n HIS 972 Cb 1.23 -1.86 -0.03 0.00 1.12 0.00 0.00 29.99 30.46 1i50 n HIS 972 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1i50 s ILE 973 N -3.94 3.22 -0.16 1.59 1.01 -1.08 -4.95 121.20 116.89 1i50 s ILE 973 Ca 0.04 0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.68 1i50 s ILE 973 Cb -0.02 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1i50 s ILE 973 CO 0.66 -0.08 0.88 1.51 0.00 0.00 0.00 174.94 177.91 1i50 s ASP 974 N 5.48 7.02 0.00 3.58 -4.77 -1.26 -4.92 116.67 121.79 1i50 s ASP 974 Ca 0.87 1.25 0.00 0.00 -3.30 0.00 0.00 52.55 51.37 1i50 s ASP 974 Cb -0.35 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 1i50 s ASP 974 CO 0.36 -0.42 0.51 1.41 0.70 0.00 0.00 175.17 177.73 1i50 n HIS 975 N 5.25 0.00 -0.11 2.11 8.25 -1.26 -3.66 115.22 125.80 1i50 n HIS 975 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 1i50 n HIS 975 Cb 0.49 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.45 1i50 n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1i50 n THR 976 N -0.15 1.28 -3.40 1.59 -2.24 -1.26 -5.02 114.28 105.08 1i50 n THR 976 Ca 0.00 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 60.96 1i50 n THR 976 Cb 0.10 -1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 67.09 1i50 n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1i50 s LYS 977 N -2.45 3.66 0.38 -0.78 1.02 -1.24 -5.06 119.74 115.27 1i50 s LYS 977 Ca -0.28 0.03 -0.26 0.00 0.02 0.00 0.00 55.97 55.49 1i50 s LYS 977 Cb 0.07 -2.68 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1i50 s LYS 977 CO 0.54 0.27 1.12 -1.25 -0.92 0.00 0.00 175.35 175.11 1i50 s PRO 978 N -3.32 4.20 0.69 -1.68 0.04 -1.20 -4.95 135.00 128.79 1i50 s PRO 978 Ca 0.44 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 1i50 s PRO 978 Cb -0.11 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1i50 s PRO 978 CO 0.28 -0.16 1.09 0.45 0.04 0.00 0.00 177.00 178.70 1i50 s SER 979 N -1.22 5.01 -0.32 6.66 0.15 -0.70 -4.53 113.70 118.75 1i50 s SER 979 Ca 0.55 1.88 0.10 0.00 0.70 0.00 0.00 55.95 59.17 1i50 s SER 979 Cb -0.28 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 62.14 1i50 s SER 979 CO 0.36 -1.70 1.68 -0.90 1.20 0.00 0.00 173.24 173.88 1i50 n ASP 980 N -2.83 3.92 -4.80 5.45 5.75 -1.26 0.79 116.55 123.57 1i50 n ASP 980 Ca 0.09 -3.40 -0.38 0.00 -0.01 0.00 0.00 54.79 51.10 1i50 n ASP 980 Cb 0.53 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 1i50 n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i50 s LEU 981 N -3.09 4.46 0.38 -2.12 1.43 -1.26 -4.61 118.68 113.87 1i50 s LEU 981 Ca 0.51 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1i50 s LEU 981 Cb 0.42 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 1i50 s LEU 981 CO 0.09 0.14 0.58 -0.89 0.23 0.00 0.00 176.35 176.51 1i50 s THR 982 N -1.32 4.82 0.27 5.49 2.01 -1.26 -4.72 115.64 120.93 1i50 s THR 982 Ca 0.37 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1i50 s THR 982 Cb -0.19 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1i50 s THR 982 CO 0.22 -0.51 1.64 0.40 -0.69 0.00 0.00 174.62 175.68 1i50 h ILE 983 N 0.65 1.35 0.00 1.82 2.04 -1.99 -2.08 117.51 119.30 1i50 h ILE 983 Ca -0.49 -1.73 -0.10 0.00 1.00 0.00 0.00 64.86 63.55 1i50 h ILE 983 Cb 1.23 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1i50 h ILE 983 CO 0.60 0.51 -0.46 0.11 0.00 0.00 0.00 178.15 178.91 1i50 h LYS 984 N 0.19 0.00 0.51 2.37 1.57 -1.98 -1.70 116.57 117.52 1i50 h LYS 984 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1i50 h LYS 984 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1i50 h LYS 984 CO 0.08 0.46 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.64 1i50 h ASP 985 N 0.00 -0.85 0.24 0.86 3.32 -1.76 -2.17 116.42 116.05 1i50 h ASP 985 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1i50 h ASP 985 Cb 0.87 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1i50 h ASP 985 CO 0.06 -0.52 -0.11 0.40 -1.72 0.00 0.00 179.24 177.35 1i50 h ILE 986 N -0.81 0.00 -0.12 0.35 2.04 -1.40 -0.26 117.51 117.31 1i50 h ILE 986 Ca -0.06 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1i50 h ILE 986 Cb 0.67 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1i50 h ILE 986 CO 0.04 0.00 -0.46 0.58 0.00 0.00 0.00 178.15 178.31 1i50 h VAL 987 N -0.45 0.10 0.00 1.67 2.07 -1.44 0.14 116.25 118.33 1i50 h VAL 987 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1i50 h VAL 987 Cb 0.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1i50 h VAL 987 CO 0.05 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 177.32 1i50 h LEU 988 N -0.53 0.00 0.01 2.57 3.38 -1.54 -2.40 115.31 116.80 1i50 h LEU 988 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1i50 h LEU 988 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1i50 h LEU 988 CO -0.40 0.26 -0.01 1.23 0.09 0.00 0.00 178.44 179.61 1i50 h GLY 989 N 1.17 -0.02 1.87 0.83 0.00 0.07 -2.00 103.07 105.00 1i50 h GLY 989 Ca -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1i50 h GLY 989 CO 0.03 -0.01 -0.19 -2.08 0.00 0.00 0.00 176.54 174.29 1i50 h VAL 990 N -0.46 1.19 -0.45 4.60 2.07 -0.72 -2.08 116.25 120.40 1i50 h VAL 990 Ca -0.00 -0.87 -0.14 0.00 0.82 0.00 0.00 66.70 66.51 1i50 h VAL 990 Cb 0.45 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1i50 h VAL 990 CO 0.00 0.26 -0.28 0.50 0.02 0.00 0.00 177.57 178.07 1i50 h LYS 991 N 0.15 0.98 -0.17 1.57 3.64 -1.39 -3.02 116.57 118.33 1i50 h LYS 991 Ca 0.03 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1i50 h LYS 991 Cb 0.43 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1i50 h LYS 991 CO 0.03 1.13 -0.13 0.22 -2.27 0.00 0.00 179.45 178.42 1i50 h ASP 992 N 0.83 0.41 -0.69 4.20 3.58 -0.92 -3.21 116.42 120.61 1i50 h ASP 992 Ca 0.09 -0.46 0.13 0.00 0.42 0.00 0.00 57.03 57.21 1i50 h ASP 992 Cb 0.87 -0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.71 1i50 h ASP 992 CO 0.08 0.78 0.24 0.25 -2.88 0.00 0.00 179.24 177.71 1i50 h LEU 993 N 0.04 0.19 -1.84 2.28 5.85 -1.39 -1.17 115.31 119.26 1i50 h LEU 993 Ca 0.03 0.11 0.18 0.00 0.84 0.00 0.00 57.88 59.04 1i50 h LEU 993 Cb 0.65 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1i50 h LEU 993 CO 0.04 0.08 0.50 1.56 -0.34 0.00 0.00 178.44 180.27 1i50 h GLN 994 N 0.38 0.14 0.00 1.25 4.20 -1.53 0.47 115.11 120.03 1i50 h GLN 994 Ca 0.37 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1i50 h GLN 994 Cb 0.55 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1i50 h GLN 994 CO -0.40 0.09 0.00 0.39 -0.67 0.00 0.00 178.83 178.25 1i50 n GLU 995 N -4.39 0.56 -0.00 1.46 -0.58 -0.44 -3.31 120.64 113.94 1i50 n GLU 995 Ca 0.14 0.03 0.07 0.00 -0.42 0.00 0.00 57.16 56.98 1i50 n GLU 995 Cb 0.69 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.96 1i50 n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1i50 n ASN 996 N -1.16 1.26 -4.56 1.62 3.02 0.16 -4.82 115.26 110.78 1i50 n ASN 996 Ca 0.15 -0.38 -0.31 0.00 -0.03 0.00 0.00 54.58 54.01 1i50 n ASN 996 Cb 0.15 1.35 -0.04 0.00 -0.61 0.00 0.00 39.78 40.63 1i50 n ASN 996 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1i50 s LEU 997 N -3.37 3.28 -0.20 3.41 1.43 -1.15 -4.93 118.68 117.14 1i50 s LEU 997 Ca -0.00 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 1i50 s LEU 997 Cb 0.10 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1i50 s LEU 997 CO 0.57 -2.38 0.20 -0.76 0.23 0.00 0.00 176.35 174.22 1i50 s LEU 998 N 8.55 4.19 -0.13 1.79 1.43 -1.26 -4.92 118.68 128.34 1i50 s LEU 998 Ca 0.63 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1i50 s LEU 998 Cb -0.04 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 1i50 s LEU 998 CO -0.01 0.11 -0.10 0.52 0.23 0.00 0.00 176.35 177.10 1i50 n VAL 999 N 3.78 0.75 -4.33 -1.59 0.31 -1.26 -4.89 118.33 111.10 1i50 n VAL 999 Ca -0.14 -0.31 -0.25 0.00 -0.01 0.00 0.00 64.34 63.63 1i50 n VAL 999 Cb 0.52 -0.94 -0.12 0.00 -0.91 0.00 0.00 33.84 32.39 1i50 n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1i50 s LEU 1000N -5.64 2.34 -0.00 7.52 1.43 -1.26 -4.97 118.68 118.11 1i50 s LEU 1000Ca -0.16 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1i50 s LEU 1000Cb 0.04 -0.98 -0.00 0.00 0.03 0.00 0.00 46.19 45.29 1i50 s LEU 1000CO 0.32 0.07 0.00 0.54 0.23 0.00 0.00 176.35 177.52 1i50 n ARG 1001N 0.81 0.70 -1.01 1.70 1.74 -1.26 -4.96 116.66 114.38 1i50 n ARG 1001Ca -0.17 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.55 1i50 n ARG 1001Cb 0.54 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 31.00 1i50 n ARG 1001CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i50 n GLY 1002N 2.35 -1.05 0.07 -0.13 0.00 -1.26 -4.86 105.19 100.30 1i50 n GLY 1002Ca -0.00 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.46 1i50 n GLY 1002CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i50 n LYS 1003N 0.78 0.40 -2.01 1.61 4.81 -1.26 -4.41 118.16 118.08 1i50 n LYS 1003Ca 0.13 -0.14 -0.28 0.00 -0.87 0.00 0.00 58.31 57.15 1i50 n LYS 1003Cb 0.16 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 33.83 1i50 n LYS 1003CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1i50 s ASN 1004N -2.70 3.99 0.12 3.14 2.20 -1.26 -4.94 114.94 115.49 1i50 s ASN 1004Ca 0.22 0.44 -0.17 0.00 -0.94 0.00 0.00 52.86 52.41 1i50 s ASN 1004Cb 0.19 -0.77 -0.03 0.00 -2.00 0.00 0.00 41.25 38.64 1i50 s ASN 1004CO 0.53 -2.19 1.64 -0.08 -2.94 0.00 0.00 177.10 174.07 1i50 h GLU 1005N -1.18 0.52 0.58 3.55 4.57 -1.99 -2.73 114.58 117.90 1i50 h GLU 1005Ca -0.44 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 1i50 h GLU 1005Cb 1.28 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1i50 h GLU 1005CO 0.52 0.54 -0.42 0.82 -1.18 0.00 0.00 179.01 179.29 1i50 h ILE 1006N 0.40 0.15 -0.65 2.32 2.04 -1.97 -2.06 117.51 117.73 1i50 h ILE 1006Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1i50 h ILE 1006Cb 0.23 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.38 1i50 h ILE 1006CO -0.01 0.00 0.27 0.40 0.00 0.00 0.00 178.15 178.82 1i50 h ILE 1007N -0.97 0.78 0.00 -0.67 1.08 -1.89 0.46 117.51 116.30 1i50 h ILE 1007Ca -0.07 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1i50 h ILE 1007Cb 0.81 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1i50 h ILE 1007CO 0.02 0.09 -0.00 1.56 -0.69 0.00 0.00 178.15 179.12 1i50 h GLN 1008N 0.47 0.00 0.07 2.37 1.08 -1.29 0.62 115.11 118.42 1i50 h GLN 1008Ca 0.33 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.35 1i50 h GLN 1008Cb 0.40 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1i50 h GLN 1008CO -0.30 0.00 -0.75 -0.91 -0.95 0.00 0.00 178.83 175.92 1i50 h ASN 1009N 0.00 0.54 -0.43 1.46 2.35 -0.38 -2.09 115.58 117.04 1i50 h ASN 1009Ca -0.00 -0.84 0.07 0.00 -0.55 0.00 0.00 56.30 54.97 1i50 h ASN 1009Cb 0.01 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.15 1i50 h ASN 1009CO 0.00 1.33 0.10 0.00 -1.65 0.00 0.00 177.43 177.21 1i50 h ALA 1010N 0.22 0.48 -0.84 -0.83 0.00 0.19 0.21 119.26 118.69 1i50 h ALA 1010Ca -0.11 0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1i50 h ALA 1010Cb 1.51 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 1i50 h ALA 1010CO 0.14 -0.30 0.50 0.37 0.00 0.00 0.00 179.25 179.96 1i50 h GLN 1011N 0.24 0.82 -0.14 0.00 5.75 0.23 -0.13 115.11 121.87 1i50 h GLN 1011Ca 0.21 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 1i50 h GLN 1011Cb 0.25 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1i50 h GLN 1011CO -0.26 0.54 -0.39 0.00 -2.65 0.00 0.00 178.83 176.07 1i50 h ARG 1012N 0.85 0.31 0.19 1.69 3.08 -0.46 -3.00 114.38 117.04 1i50 h ARG 1012Ca 0.40 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1i50 h ARG 1012Cb 0.33 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1i50 h ARG 1012CO -0.23 0.65 -0.09 -0.44 -1.07 0.00 0.00 179.97 178.79 1i50 h ASP 1013N 0.26 -0.22 -0.49 7.04 5.19 -0.05 -2.80 116.42 125.34 1i50 h ASP 1013Ca 0.03 -0.29 0.14 0.00 -0.62 0.00 0.00 57.03 56.29 1i50 h ASP 1013Cb 0.80 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.35 1i50 h ASP 1013CO 0.06 0.22 0.37 0.00 -3.12 0.00 0.00 179.24 176.77 1i50 h ALA 1014N -0.08 2.42 -0.25 3.45 0.00 -1.06 -1.14 119.26 122.60 1i50 h ALA 1014Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i50 h ALA 1014Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1i50 h ALA 1014CO 0.04 -0.62 0.00 0.28 0.00 0.00 0.00 179.25 178.95 1i50 n VAL 1015N -4.29 0.30 0.31 0.00 0.31 -1.14 -4.61 118.33 109.22 1i50 n VAL 1015Ca 0.09 -0.65 -0.17 0.00 -0.01 0.00 0.00 64.34 63.60 1i50 n VAL 1015Cb 0.58 1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 34.61 1i50 n VAL 1015CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1i50 h THR 1016N 4.57 0.40 -0.27 2.52 2.02 -0.92 -0.73 112.91 120.50 1i50 h THR 1016Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1i50 h THR 1016Cb 0.99 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1i50 h THR 1016CO 0.00 0.00 0.15 0.25 0.37 0.00 0.00 175.52 176.29 1i50 h LEU 1017N -0.78 0.24 -0.82 2.58 5.85 -1.81 -2.19 115.31 118.38 1i50 h LEU 1017Ca -0.07 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1i50 h LEU 1017Cb 0.62 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1i50 h LEU 1017CO 0.10 0.18 0.52 0.15 -0.34 0.00 0.00 178.44 179.06 1i50 h PHE 1018N 0.32 0.98 0.00 1.25 3.57 -1.85 -1.53 116.94 119.68 1i50 h PHE 1018Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1i50 h PHE 1018Cb 0.00 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 1i50 h PHE 1018CO -0.08 0.56 -0.09 0.00 -2.23 0.00 0.00 178.31 176.48 1i50 h LEU 1021N 0.25 0.53 0.49 0.00 5.85 -0.96 -2.77 115.31 118.70 1i50 h LEU 1021Ca -0.02 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1i50 h LEU 1021Cb 1.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1i50 h LEU 1021CO 0.12 0.89 -0.38 0.25 -0.34 0.00 0.00 178.44 178.97 1i50 h LEU 1022N 0.18 -1.00 -1.92 2.25 5.85 -0.74 -1.59 115.31 118.33 1i50 h LEU 1022Ca 0.03 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1i50 h LEU 1022Cb 0.73 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1i50 h LEU 1022CO 0.05 -0.56 0.18 0.03 -0.34 0.00 0.00 178.44 177.80 1i50 h ARG 1023N -0.86 0.10 0.00 1.25 3.08 -1.14 0.68 114.38 117.49 1i50 h ARG 1023Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1i50 h ARG 1023Cb 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1i50 h ARG 1023CO 0.00 0.06 -0.24 0.66 -1.07 0.00 0.00 179.97 179.39 1i50 h SER 1024N 0.10 0.00 0.59 7.04 4.64 -1.19 -2.95 113.55 121.78 1i50 h SER 1024Ca 0.12 -0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.16 1i50 h SER 1024Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 1i50 h SER 1024CO -0.01 0.00 -1.57 0.03 -0.87 0.00 0.00 176.83 174.41 1i50 h ARG 1025N 0.00 0.01 -0.67 4.77 2.47 -0.20 -3.36 114.38 117.39 1i50 h ARG 1025Ca 0.00 -0.01 -0.42 0.00 -1.26 0.00 0.00 59.98 58.28 1i50 h ARG 1025Cb 1.00 0.01 -0.25 0.00 -1.65 0.00 0.00 29.97 29.07 1i50 h ARG 1025CO 0.00 0.61 0.05 1.28 0.56 0.00 0.00 179.97 182.47 1i50 n LEU 1026N -3.12 5.46 -4.77 3.04 4.77 0.10 -4.62 117.00 117.85 1i50 n LEU 1026Ca -0.14 -4.11 -0.37 0.00 -0.03 0.00 0.00 56.01 51.36 1i50 n LEU 1026Cb 1.03 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1i50 n LEU 1026CO 0.45 1.49 0.79 0.00 -1.33 0.00 0.00 177.39 178.79 1i50 s ALA 1027N -3.48 3.10 0.17 -1.18 0.00 -1.12 -4.82 121.76 114.44 1i50 s ALA 1027Ca 0.52 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 1i50 s ALA 1027Cb 0.44 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 20.32 1i50 s ALA 1027CO 0.02 -0.39 1.59 1.15 0.00 0.00 0.00 175.76 178.13 1i50 h THR 1028N 2.22 0.19 -0.49 0.00 2.02 -1.90 -0.91 112.91 114.04 1i50 h THR 1028Ca -0.48 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1i50 h THR 1028Cb 1.23 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1i50 h THR 1028CO 0.62 0.00 0.26 -0.09 0.37 0.00 0.00 175.52 176.68 1i50 h ARG 1029N -0.21 0.49 -0.20 6.66 2.43 -1.85 -1.92 114.38 119.78 1i50 h ARG 1029Ca 0.20 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1i50 h ARG 1029Cb 0.55 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1i50 h ARG 1029CO -0.61 0.32 -0.12 0.00 -1.51 0.00 0.00 179.97 178.06 1i50 h ARG 1030N 0.50 -0.11 -0.98 0.20 2.47 -1.58 0.88 114.38 115.77 1i50 h ARG 1030Ca 0.21 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.99 1i50 h ARG 1030Cb 0.11 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.39 1i50 h ARG 1030CO -0.14 -0.07 0.63 0.28 0.56 0.00 0.00 179.97 181.23 1i50 h VAL 1031N -0.11 1.12 0.05 2.04 2.07 -0.84 -1.44 116.25 119.14 1i50 h VAL 1031Ca 0.11 -0.40 -0.30 0.00 0.82 0.00 0.00 66.70 66.93 1i50 h VAL 1031Cb 0.28 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 1i50 h VAL 1031CO -0.27 0.22 -1.62 0.18 0.02 0.00 0.00 177.57 176.10 1i50 n LEU 1032N -4.50 2.18 -0.03 2.57 4.77 -0.75 -1.09 117.00 120.16 1i50 n LEU 1032Ca 0.14 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1i50 n LEU 1032Cb 0.14 -1.02 -0.11 0.00 -2.33 0.00 0.00 43.42 40.11 1i50 n LEU 1032CO 0.33 0.52 0.58 -0.61 -1.33 0.00 0.00 177.39 176.88 1i50 h GLN 1033N -0.57 0.00 0.00 3.23 5.75 0.71 -3.25 115.11 120.98 1i50 h GLN 1033Ca -0.40 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1i50 h GLN 1033Cb 1.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.16 1i50 h GLN 1033CO -0.10 0.61 -0.26 0.93 -2.65 0.00 0.00 178.83 177.36 1i50 h GLU 1034N -0.60 0.00 -0.25 1.69 5.08 -1.41 -3.42 114.58 115.67 1i50 h GLU 1034Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1i50 h GLU 1034Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1i50 h GLU 1034CO 0.00 0.00 -0.56 1.88 -1.00 0.00 0.00 179.01 179.33 1i50 h TYR 1035N -0.87 0.98 -1.28 4.33 0.99 -1.41 -3.48 116.97 116.24 1i50 h TYR 1035Ca 0.00 -0.36 -0.27 0.00 2.00 0.00 0.00 58.73 60.10 1i50 h TYR 1035Cb 0.26 -0.18 -0.06 0.00 1.00 0.00 0.00 36.73 37.75 1i50 h TYR 1035CO -0.11 1.16 -0.30 0.54 -0.00 0.00 0.00 178.16 179.45 1i50 n ARG 1036N -3.99 -1.00 -1.68 4.88 5.12 -0.25 -4.96 116.66 114.79 1i50 n ARG 1036Ca -0.04 0.81 -0.39 0.00 -1.93 0.00 0.00 57.85 56.30 1i50 n ARG 1036Cb 0.63 -4.96 0.04 0.00 -1.16 0.00 0.00 32.46 27.00 1i50 n ARG 1036CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1i50 n LEU 1037N -1.72 4.36 -5.00 0.55 4.77 -1.09 -4.85 117.00 114.03 1i50 n LEU 1037Ca -0.15 0.95 -0.20 0.00 -0.03 0.00 0.00 56.01 56.58 1i50 n LEU 1037Cb 0.53 -1.48 0.05 0.00 -2.33 0.00 0.00 43.42 40.19 1i50 n LEU 1037CO 0.19 -1.10 0.35 0.42 -1.33 0.00 0.00 177.39 175.92 1i50 s THR 1038N -1.34 2.55 0.53 -5.08 -4.23 -1.26 -4.70 115.64 102.11 1i50 s THR 1038Ca 0.70 -0.78 0.21 0.00 -1.18 0.00 0.00 61.69 60.64 1i50 s THR 1038Cb -0.45 -2.77 0.29 0.00 1.34 0.00 0.00 72.50 70.91 1i50 s THR 1038CO 0.51 0.00 2.17 0.50 -0.54 0.00 0.00 174.62 177.26 1i50 h LYS 1039N 0.10 0.00 0.00 3.99 1.63 -1.95 -1.38 116.57 118.96 1i50 h LYS 1039Ca -0.38 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.36 1i50 h LYS 1039Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1i50 h LYS 1039CO 0.46 0.02 -0.22 0.37 -3.45 0.00 0.00 179.45 176.64 1i50 h GLN 1040N 0.00 0.14 -0.46 1.90 4.15 -1.96 -2.42 115.11 116.47 1i50 h GLN 1040Ca -0.00 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.22 1i50 h GLN 1040Cb 0.05 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1i50 h GLN 1040CO 0.00 0.92 0.13 0.00 -1.93 0.00 0.00 178.83 177.95 1i50 h ALA 1041N 0.23 0.60 -0.10 3.38 0.00 -1.89 -2.57 119.26 118.91 1i50 h ALA 1041Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1i50 h ALA 1041Cb 1.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1i50 h ALA 1041CO 0.04 0.26 0.06 0.35 0.00 0.00 0.00 179.25 179.96 1i50 h PHE 1042N 0.60 0.11 0.00 0.00 3.57 -1.36 0.27 116.94 120.13 1i50 h PHE 1042Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1i50 h PHE 1042Cb 0.29 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1i50 h PHE 1042CO 0.02 0.07 -0.07 -0.44 -2.23 0.00 0.00 178.31 175.65 1i50 h ASP 1043N 0.12 0.00 -0.01 0.41 5.19 -1.37 -1.29 116.42 119.47 1i50 h ASP 1043Ca 0.04 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.24 1i50 h ASP 1043Cb -0.01 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.51 1i50 h ASP 1043CO -0.02 0.07 -0.77 -0.25 -3.12 0.00 0.00 179.24 175.15 1i50 h TRP 1044N 0.00 0.90 -0.35 4.55 7.01 -0.94 -3.03 115.95 124.09 1i50 h TRP 1044Ca -0.00 -0.40 -0.03 0.00 2.11 0.00 0.00 58.89 60.57 1i50 h TRP 1044Cb 0.14 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1i50 h TRP 1044CO 0.00 1.21 0.10 0.28 -2.79 0.00 0.00 178.44 177.23 1i50 h VAL 1045N 0.45 1.22 -0.56 2.65 2.07 0.13 -2.36 116.25 119.85 1i50 h VAL 1045Ca -0.05 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1i50 h VAL 1045Cb 1.38 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1i50 h VAL 1045CO 0.15 0.25 0.32 -0.07 0.02 0.00 0.00 177.57 178.24 1i50 h LEU 1046N 0.41 0.69 -0.86 2.57 3.38 -1.37 -1.68 115.31 118.45 1i50 h LEU 1046Ca 0.11 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1i50 h LEU 1046Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1i50 h LEU 1046CO -0.00 0.56 -0.52 0.77 0.09 0.00 0.00 178.44 179.34 1i50 h SER 1047N 0.76 0.14 -0.19 -0.43 4.64 -1.51 -2.54 113.55 114.41 1i50 h SER 1047Ca 0.20 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1i50 h SER 1047Cb 0.02 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1i50 h SER 1047CO -0.03 0.63 -0.02 0.78 -0.87 0.00 0.00 176.83 177.32 1i50 h ASN 1048N 0.10 0.34 -0.94 4.97 2.35 -1.13 -0.85 115.58 120.43 1i50 h ASN 1048Ca 0.00 -0.34 0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1i50 h ASN 1048Cb 0.95 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.16 1i50 h ASN 1048CO 0.07 0.60 0.60 0.40 -1.65 0.00 0.00 177.43 177.46 1i50 h ILE 1049N 0.08 1.01 -0.36 2.81 2.04 -1.20 0.16 117.51 122.04 1i50 h ILE 1049Ca 0.05 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1i50 h ILE 1049Cb 0.44 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1i50 h ILE 1049CO 0.01 0.18 -0.28 -0.08 0.00 0.00 0.00 178.15 177.99 1i50 h GLU 1050N 1.00 0.82 0.31 2.37 4.81 -1.24 -1.45 114.58 121.19 1i50 h GLU 1050Ca 0.43 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1i50 h GLU 1050Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1i50 h GLU 1050CO -0.18 1.04 -0.15 0.00 -0.73 0.00 0.00 179.01 178.98 1i50 h ALA 1051N 0.76 -0.42 -0.49 2.92 0.00 0.09 -2.17 119.26 119.95 1i50 h ALA 1051Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i50 h ALA 1051Cb 0.85 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1i50 h ALA 1051CO 0.07 -0.69 0.29 1.96 0.00 0.00 0.00 179.25 180.89 1i50 h GLN 1052N -0.51 0.57 0.11 0.00 4.20 -0.78 -1.90 115.11 116.80 1i50 h GLN 1052Ca -0.04 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1i50 h GLN 1052Cb 0.38 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1i50 h GLN 1052CO 0.07 0.38 -0.31 0.35 -0.67 0.00 0.00 178.83 178.65 1i50 h PHE 1053N 0.59 -0.84 -0.03 2.96 3.57 -1.19 -1.10 116.94 120.90 1i50 h PHE 1053Ca 0.20 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1i50 h PHE 1053Cb 0.01 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1i50 h PHE 1053CO -0.07 -0.41 0.02 -0.07 -2.23 0.00 0.00 178.31 175.55 1i50 h LEU 1054N -0.52 0.00 -0.03 0.59 3.38 -1.25 0.34 115.31 117.82 1i50 h LEU 1054Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i50 h LEU 1054Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1i50 h LEU 1054CO -0.19 0.00 -0.02 -1.14 0.09 0.00 0.00 178.44 177.18 1i50 n ARG 1055N -4.19 0.43 -0.00 1.13 0.63 -0.52 -3.28 116.66 110.86 1i50 n ARG 1055Ca -0.02 -0.03 0.09 0.00 -0.92 0.00 0.00 57.85 56.97 1i50 n ARG 1055Cb 0.11 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.41 1i50 n ARG 1055CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1i50 n SER 1056N -1.26 0.87 -4.77 6.15 7.64 0.12 -4.97 113.62 117.40 1i50 n SER 1056Ca 0.14 -0.88 -0.39 0.00 1.01 0.00 0.00 58.87 58.74 1i50 n SER 1056Cb 0.25 1.07 -0.02 0.00 -1.01 0.00 0.00 64.21 64.51 1i50 n SER 1056CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1i50 s VAL 1057N -2.87 2.90 0.31 0.44 1.01 -1.16 -1.32 120.40 119.70 1i50 s VAL 1057Ca 0.06 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 1i50 s VAL 1057Cb 0.14 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 1i50 s VAL 1057CO 0.80 0.14 1.20 0.54 0.00 0.00 0.00 175.10 177.77 1i50 s VAL 1058N -1.27 3.12 -0.05 2.92 0.11 -0.31 -4.61 120.40 120.31 1i50 s VAL 1058Ca 0.54 1.13 -0.25 0.00 -2.93 0.00 0.00 61.98 60.46 1i50 s VAL 1058Cb -0.36 -3.72 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 1i50 s VAL 1058CO 0.46 0.27 0.78 -1.00 -3.33 0.00 0.00 175.10 172.28 1i50 s HIS 1059N -1.16 3.60 0.30 1.54 3.76 -1.26 -4.97 115.29 117.10 1i50 s HIS 1059Ca 0.47 1.38 -0.30 0.00 -0.15 0.00 0.00 55.06 56.46 1i50 s HIS 1059Cb -0.36 -2.90 -0.12 0.00 1.11 0.00 0.00 32.58 30.31 1i50 s HIS 1059CO 0.47 0.05 1.52 -2.30 -0.85 0.00 0.00 174.74 173.63 1i50 n PRO 1060N 3.86 2.55 0.00 8.40 -0.02 -1.26 -2.09 135.00 146.44 1i50 n PRO 1060Ca 0.01 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1i50 n PRO 1060Cb 0.51 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1i50 n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i50 n GLY 1061N 1.75 0.83 3.68 -1.23 0.00 0.15 -4.95 105.19 105.43 1i50 n GLY 1061Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1i50 n GLY 1061CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i50 s GLU 1062N -0.44 4.18 -1.41 1.61 0.41 -0.89 -2.27 118.70 119.90 1i50 s GLU 1062Ca 0.00 2.34 -0.14 0.00 -0.41 0.00 0.00 54.97 56.77 1i50 s GLU 1062Cb 0.00 -3.79 0.06 0.00 -1.78 0.00 0.00 34.13 28.63 1i50 s GLU 1062CO 0.00 -0.80 2.11 -1.33 -0.49 0.00 0.00 175.26 174.74 1i50 n MET 1063N 6.31 3.01 0.25 1.61 2.81 -1.26 -2.34 117.12 127.50 1i50 n MET 1063Ca 0.17 -2.84 0.07 0.00 -1.81 0.00 0.00 57.70 53.30 1i50 n MET 1063Cb 0.41 -3.26 0.60 0.00 -0.71 0.00 0.00 33.22 30.26 1i50 n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1i50 h VAL 1064N 4.17 1.02 0.27 2.03 2.07 -1.88 -1.77 116.25 122.16 1i50 h VAL 1064Ca 0.53 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1i50 h VAL 1064Cb 0.67 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1i50 h VAL 1064CO 1.79 0.07 -0.13 1.23 0.02 0.00 0.00 177.57 180.55 1i50 h GLY 1065N 0.23 -0.38 1.01 2.17 0.00 -1.49 0.24 103.07 104.85 1i50 h GLY 1065Ca -0.00 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1i50 h GLY 1065CO 0.01 -0.14 0.43 -2.08 0.00 0.00 0.00 176.54 174.76 1i50 h VAL 1066N -0.76 1.22 -0.64 4.60 2.07 -1.70 0.13 116.25 121.18 1i50 h VAL 1066Ca -0.04 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1i50 h VAL 1066Cb 0.50 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1i50 h VAL 1066CO 0.06 0.24 0.30 0.25 0.02 0.00 0.00 177.57 178.44 1i50 h LEU 1067N 1.03 0.38 0.34 2.57 5.85 -1.26 -1.37 115.31 122.85 1i50 h LEU 1067Ca 0.27 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1i50 h LEU 1067Cb 0.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1i50 h LEU 1067CO -0.05 0.23 -0.16 0.00 -0.34 0.00 0.00 178.44 178.12 1i50 h ALA 1068N 1.39 -0.46 -0.26 1.25 0.00 0.94 -1.40 119.26 120.72 1i50 h ALA 1068Ca 0.31 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1i50 h ALA 1068Cb 0.31 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1i50 h ALA 1068CO -0.25 -0.66 -0.32 0.00 0.00 0.00 0.00 179.25 178.02 1i50 h ALA 1069N -0.08 -0.27 -0.49 0.00 0.00 -0.58 -1.66 119.26 116.19 1i50 h ALA 1069Ca -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1i50 h ALA 1069Cb 0.47 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1i50 h ALA 1069CO 0.08 -0.76 0.21 1.96 0.00 0.00 0.00 179.25 180.75 1i50 h GLN 1070N -0.32 0.68 0.00 0.00 4.20 -1.27 0.92 115.11 119.33 1i50 h GLN 1070Ca 0.13 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1i50 h GLN 1070Cb 0.53 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1i50 h GLN 1070CO -0.44 0.55 0.00 0.77 -0.67 0.00 0.00 178.83 179.04 1i50 h SER 1071N 0.68 0.00 0.00 1.46 0.02 -0.33 -0.87 113.55 114.52 1i50 h SER 1071Ca 0.17 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.73 1i50 h SER 1071Cb 0.11 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 1i50 h SER 1071CO -0.02 0.00 -2.45 -0.38 -1.14 0.00 0.00 176.83 172.84 1i50 n ILE 1072N -2.91 1.45 -0.11 3.27 5.41 -0.63 -4.54 119.36 121.30 1i50 n ILE 1072Ca -0.00 -0.52 -0.13 0.00 1.00 0.00 0.00 62.75 63.09 1i50 n ILE 1072Cb 0.23 -1.47 -0.03 0.00 -0.71 0.00 0.00 39.64 37.66 1i50 n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1i50 h GLY 1073N 1.45 0.97 0.25 7.39 0.00 -0.81 -3.14 103.07 109.18 1i50 h GLY 1073Ca -0.58 -0.99 0.06 0.00 0.00 0.00 0.00 47.33 45.82 1i50 h GLY 1073CO -0.14 0.90 -0.16 -2.09 0.00 0.00 0.00 176.54 175.05 1i50 h GLU 1074N 0.69 -0.12 0.00 4.80 4.22 -1.36 -1.38 114.58 121.43 1i50 h GLU 1074Ca 0.06 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 1i50 h GLU 1074Cb 0.96 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1i50 h GLU 1074CO 0.09 -0.08 -0.13 -1.00 -2.18 0.00 0.00 179.01 175.72 1i50 h PRO 1075N -0.12 0.00 0.00 0.92 0.13 -1.80 -2.07 132.00 129.06 1i50 h PRO 1075Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1i50 h PRO 1075Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1i50 h PRO 1075CO -0.36 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 177.54 1i50 n ALA 1076N -2.17 2.19 -1.62 -0.56 0.00 -0.54 -1.78 120.51 116.03 1i50 n ALA 1076Ca 0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1i50 n ALA 1076Cb 0.39 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.56 1i50 n ALA 1076CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i50 n THR 1077N -1.13 3.15 -1.55 0.00 -1.04 -0.78 -4.17 114.28 108.76 1i50 n THR 1077Ca 0.13 -3.45 0.00 0.00 -2.04 0.00 0.00 64.05 58.69 1i50 n THR 1077Cb 0.11 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 1i50 n THR 1077CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 n GLN 1078N -0.84 0.00 -3.06 -2.82 1.13 -0.73 -5.07 117.38 105.99 1i50 n GLN 1078Ca 0.54 -0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 1i50 n GLN 1078Cb 0.81 -0.22 -0.06 0.00 0.11 0.00 0.00 30.24 30.88 1i50 n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1i50 s MET 1079N 0.00 3.94 -0.07 -1.09 -1.94 -1.25 -5.04 119.30 113.85 1i50 s MET 1079Ca 0.00 0.42 -0.04 0.00 -1.71 0.00 0.00 55.69 54.36 1i50 s MET 1079Cb 0.00 -3.72 0.03 0.00 2.01 0.00 0.00 34.83 33.15 1i50 s MET 1079CO 0.00 -0.59 0.16 0.99 -0.01 0.00 0.00 175.02 175.58 1i50 s THR 1080N 2.70 -0.03 0.00 2.05 2.01 -1.26 -4.92 115.64 116.19 1i50 s THR 1080Ca 0.27 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1i50 s THR 1080Cb -0.15 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1i50 s THR 1080CO 0.12 0.05 0.00 0.18 -0.69 0.00 0.00 174.62 174.27 1i50 n LEU 1081N 3.79 0.00 0.00 4.42 4.77 -1.26 -5.16 117.00 123.56 1i50 n LEU 1081Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1i50 n LEU 1081Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1i50 n LEU 1081CO 0.18 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.53 1i50 n LYS 1092N 0.00 0.00 -3.31 3.23 5.02 -1.26 -5.06 118.16 116.78 1i50 n LYS 1092Ca 0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.83 1i50 n LYS 1092Cb 0.00 -2.64 -0.01 0.00 -0.02 0.00 0.00 35.03 32.36 1i50 n LYS 1092CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1i50 s LYS 1093N -0.11 3.79 0.00 1.97 1.02 -1.26 -4.93 119.74 120.22 1i50 s LYS 1093Ca 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 55.97 53.34 1i50 s LYS 1093Cb 0.00 -4.50 0.00 0.00 -0.52 0.00 0.00 37.83 32.81 1i50 s LYS 1093CO 0.00 -1.31 0.00 0.28 -0.92 0.00 0.00 175.35 173.40 1i50 n VAL 1094N 3.69 0.00 -3.87 3.17 0.31 -1.26 -5.12 118.33 115.25 1i50 n VAL 1094Ca 0.18 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.25 1i50 n VAL 1094Cb 0.45 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.21 1i50 n VAL 1094CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1i50 s THR 1095N 0.12 0.87 0.00 2.52 2.01 -1.26 -5.03 115.64 114.87 1i50 s THR 1095Ca 0.00 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1i50 s THR 1095Cb 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1i50 s THR 1095CO 0.00 0.32 0.00 -1.54 -0.69 0.00 0.00 174.62 172.71 1i50 n SER 1096N 4.99 0.78 -0.63 3.53 3.41 -1.26 -4.66 113.62 119.78 1i50 n SER 1096Ca -0.11 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.56 1i50 n SER 1096Cb 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1i50 n SER 1096CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i50 n GLY 1097N 2.79 -0.75 0.33 5.00 0.00 -1.26 -2.48 105.19 108.82 1i50 n GLY 1097Ca 0.00 -0.53 0.24 0.00 0.00 0.00 0.00 46.02 45.73 1i50 n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i50 h VAL 1098N -0.41 0.07 -0.62 1.61 2.07 -1.91 0.36 116.25 117.41 1i50 h VAL 1098Ca 0.01 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1i50 h VAL 1098Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1i50 h VAL 1098CO 0.00 0.01 0.26 1.55 0.02 0.00 0.00 177.57 179.42 1i50 h PRO 1099N 0.06 0.46 -0.28 1.57 0.13 -1.98 0.10 132.00 132.05 1i50 h PRO 1099Ca 0.73 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.69 1i50 h PRO 1099Cb 1.76 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.79 1i50 h PRO 1099CO -0.79 0.30 -0.38 -0.09 -0.23 0.00 0.00 178.00 176.82 1i50 h ARG 1100N 0.47 0.75 -0.66 0.86 9.65 -0.62 -2.19 114.38 122.64 1i50 h ARG 1100Ca 0.31 -0.43 0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1i50 h ARG 1100Cb 0.35 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 1i50 h ARG 1100CO -0.28 1.06 0.39 1.25 2.80 0.00 0.00 179.97 185.19 1i50 h LEU 1101N 0.50 0.62 -1.18 3.80 5.85 -0.89 0.29 115.31 124.30 1i50 h LEU 1101Ca 0.03 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1i50 h LEU 1101Cb 0.96 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1i50 h LEU 1101CO 0.09 0.42 -0.06 0.50 -0.34 0.00 0.00 178.44 179.06 1i50 h LYS 1102N 0.76 0.50 -0.42 1.25 3.64 -0.75 -1.19 116.57 120.36 1i50 h LYS 1102Ca 0.28 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1i50 h LYS 1102Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1i50 h LYS 1102CO -0.13 0.57 -0.03 1.49 -2.27 0.00 0.00 179.45 179.08 1i50 h GLU 1103N 0.47 0.69 0.41 1.90 4.81 -0.54 -1.97 114.58 120.36 1i50 h GLU 1103Ca 0.10 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1i50 h GLU 1103Cb 0.40 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1i50 h GLU 1103CO 0.02 0.73 -0.20 0.82 -0.73 0.00 0.00 179.01 179.65 1i50 h ILE 1104N 0.65 0.00 -0.40 2.32 2.04 -0.27 -2.85 117.51 118.99 1i50 h ILE 1104Ca 0.13 -0.47 0.12 0.00 1.00 0.00 0.00 64.86 65.64 1i50 h ILE 1104Cb 0.45 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1i50 h ILE 1104CO 0.02 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.52 1i50 h LEU 1105N -1.01 0.00 0.00 1.44 3.38 -1.28 0.31 115.31 118.15 1i50 h LEU 1105Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1i50 h LEU 1105Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i50 h LEU 1105CO 0.09 0.00 -0.28 0.78 0.09 0.00 0.00 178.44 179.12 1i50 h ASN 1106N 0.00 0.00 -5.80 -0.43 2.35 -1.39 -0.43 115.58 109.88 1i50 h ASN 1106Ca 0.19 -0.02 -0.35 0.00 -0.55 0.00 0.00 56.30 55.58 1i50 h ASN 1106Cb 1.04 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.54 1i50 h ASN 1106CO -0.00 0.01 -0.84 0.52 -1.65 0.00 0.00 177.43 175.47 1i50 n VAL 1107N -2.81 -6.52 -2.55 2.81 0.31 0.11 -4.76 118.33 104.93 1i50 n VAL 1107Ca 0.03 -0.83 -0.42 0.00 -0.01 0.00 0.00 64.34 63.11 1i50 n VAL 1107Cb 0.51 -5.02 -0.03 0.00 -0.91 0.00 0.00 33.84 28.39 1i50 n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i50 s ALA 1108N -3.48 3.30 -0.83 3.52 0.00 -1.12 -4.92 121.76 118.23 1i50 s ALA 1108Ca 0.21 0.72 0.27 0.00 0.00 0.00 0.00 51.96 53.17 1i50 s ALA 1108Cb -0.04 -3.39 0.94 0.00 0.00 0.00 0.00 23.12 20.63 1i50 s ALA 1108CO 0.78 -0.32 1.81 1.17 0.00 0.00 0.00 175.76 179.20 1i50 n LYS 1109N 3.73 0.17 -3.38 0.00 3.00 -1.26 -4.21 118.16 116.21 1i50 n LYS 1109Ca 0.07 0.13 -0.32 0.00 -0.00 0.00 0.00 58.31 58.20 1i50 n LYS 1109Cb 0.48 -1.69 -0.06 0.00 0.00 0.00 0.00 35.03 33.76 1i50 n LYS 1109CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1i50 n ASN 1110N -1.98 4.39 -4.64 3.14 3.02 -1.26 -5.07 115.26 112.87 1i50 n ASN 1110Ca 0.06 -3.39 -0.33 0.00 -0.03 0.00 0.00 54.58 50.88 1i50 n ASN 1110Cb 0.40 -0.86 0.12 0.00 -0.61 0.00 0.00 39.78 38.84 1i50 n ASN 1110CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1i50 n MET 1111N 1.17 0.09 0.05 3.52 2.81 -1.26 -4.94 117.12 118.57 1i50 n MET 1111Ca 0.28 0.10 -0.11 0.00 -1.81 0.00 0.00 57.70 56.16 1i50 n MET 1111Cb 0.38 -2.30 -0.13 0.00 -0.71 0.00 0.00 33.22 30.46 1i50 n MET 1111CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i50 h LYS 1112N -1.01 0.09 -1.80 0.03 1.57 -1.97 -3.39 116.57 110.09 1i50 h LYS 1112Ca -0.46 -0.16 -0.53 0.00 -1.87 0.00 0.00 60.65 57.64 1i50 h LYS 1112Cb 1.30 0.06 -0.41 0.00 0.08 0.00 0.00 32.23 33.26 1i50 h LYS 1112CO 0.44 0.98 -0.88 2.41 -0.57 0.00 0.00 179.45 181.82 1i50 n THR 1113N -3.35 1.84 -1.53 -0.16 -1.04 -1.26 -5.06 114.28 103.72 1i50 n THR 1113Ca -0.07 -4.77 -0.40 0.00 -2.04 0.00 0.00 64.05 56.76 1i50 n THR 1113Cb 0.99 -0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 1i50 n THR 1113CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1i50 n PRO 1114N -0.17 0.97 -4.34 -2.82 -0.02 -1.26 -4.93 135.00 122.43 1i50 n PRO 1114Ca 0.28 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.64 1i50 n PRO 1114Cb 0.59 -2.90 -0.08 0.00 -0.02 0.00 0.00 33.50 31.09 1i50 n PRO 1114CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i50 s SER 1115N 10.31 4.24 -0.01 2.55 0.15 -1.26 -0.27 113.70 129.41 1i50 s SER 1115Ca 1.07 -0.79 0.03 0.00 0.70 0.00 0.00 55.95 56.96 1i50 s SER 1115Cb -0.51 -0.66 -0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1i50 s SER 1115CO 0.35 -0.02 -0.09 -0.22 1.20 0.00 0.00 173.24 174.46 1i50 s LEU 1116N -3.64 1.94 -0.23 3.45 2.96 -1.25 -3.11 118.68 118.80 1i50 s LEU 1116Ca 0.32 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1i50 s LEU 1116Cb -0.05 -0.51 0.05 0.00 0.50 0.00 0.00 46.19 46.18 1i50 s LEU 1116CO 0.19 0.10 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.30 1i50 s THR 1117N -0.08 2.07 -0.12 3.68 2.01 0.81 -1.58 115.64 122.44 1i50 s THR 1117Ca 0.01 -1.40 -0.01 0.00 0.31 0.00 0.00 61.69 60.61 1i50 s THR 1117Cb -0.05 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1i50 s THR 1117CO -0.00 0.12 -0.08 0.68 -0.69 0.00 0.00 174.62 174.65 1i50 s VAL 1118N 1.19 3.55 0.16 3.82 -7.23 -0.30 -1.18 120.40 120.40 1i50 s VAL 1118Ca -0.05 -0.50 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 1i50 s VAL 1118Cb -0.18 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1i50 s VAL 1118CO -0.07 0.54 0.16 -0.31 -0.31 0.00 0.00 175.10 175.11 1i50 s TYR 1119N -0.05 3.21 0.34 2.82 1.51 -1.26 -1.42 117.35 122.50 1i50 s TYR 1119Ca -0.00 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.03 1i50 s TYR 1119Cb -0.14 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1i50 s TYR 1119CO 0.03 0.52 0.59 -0.51 -1.11 0.00 0.00 175.55 175.07 1i50 s LEU 1120N -3.12 3.97 0.30 -1.29 1.02 -1.26 -1.01 118.68 117.28 1i50 s LEU 1120Ca 0.32 0.67 -0.28 0.00 0.02 0.00 0.00 54.13 54.85 1i50 s LEU 1120Cb -0.10 -3.53 -0.14 0.00 0.02 0.00 0.00 46.19 42.44 1i50 s LEU 1120CO 0.24 -0.30 1.08 1.21 0.02 0.00 0.00 176.35 178.61 1i50 n GLU 1121N -1.44 1.52 0.00 1.70 2.13 -0.98 -4.14 120.64 119.43 1i50 n GLU 1121Ca -0.02 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1i50 n GLU 1121Cb 0.55 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1i50 n GLU 1121CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1i50 n PRO 1122N 0.74 0.00 -0.07 5.31 -0.02 -1.26 -1.31 135.00 138.39 1i50 n PRO 1122Ca 0.09 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1i50 n PRO 1122Cb 0.33 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1i50 n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i50 n GLY 1123N -0.92 1.28 2.75 -1.23 0.00 -1.26 -4.08 105.19 101.73 1i50 n GLY 1123Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1i50 n GLY 1123CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i50 n HIS 1124N 0.93 -3.45 0.00 1.61 8.25 -0.42 -4.97 115.22 117.17 1i50 n HIS 1124Ca 0.00 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.00 1i50 n HIS 1124Cb 0.29 1.49 0.00 0.00 1.12 0.00 0.00 29.99 32.90 1i50 n HIS 1124CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i50 n ALA 1125N 2.40 1.38 0.88 -1.41 0.00 -1.26 -4.27 120.51 118.23 1i50 n ALA 1125Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.68 1i50 n ALA 1125Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 1i50 n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i50 n ALA 1126N -0.75 4.51 -2.34 0.00 0.00 -1.26 -1.65 120.51 119.02 1i50 n ALA 1126Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 53.44 52.51 1i50 n ALA 1126Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1i50 n ALA 1126CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i50 s ASP 1127N -3.06 5.96 0.60 0.00 1.01 -1.26 -4.76 116.67 115.16 1i50 s ASP 1127Ca 0.06 -1.55 0.29 0.00 0.71 0.00 0.00 52.55 52.06 1i50 s ASP 1127Cb 0.15 -2.57 1.36 0.00 1.01 0.00 0.00 42.92 42.87 1i50 s ASP 1127CO 0.84 -2.04 1.76 -0.61 0.21 0.00 0.00 175.17 175.33 1i50 h GLN 1128N 9.60 0.00 -0.14 8.23 5.75 -1.98 0.23 115.11 136.79 1i50 h GLN 1128Ca 0.24 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.52 1i50 h GLN 1128Cb 0.96 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.52 1i50 h GLN 1128CO 1.34 0.00 -0.77 1.49 -2.65 0.00 0.00 178.83 178.24 1i50 h GLU 1129N 0.00 0.73 0.05 1.69 4.81 -2.00 -2.70 114.58 117.16 1i50 h GLU 1129Ca 0.28 -0.60 -0.24 0.00 -0.13 0.00 0.00 59.36 58.67 1i50 h GLU 1129Cb 1.58 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.09 1i50 h GLU 1129CO -0.00 1.21 -1.06 0.37 -0.73 0.00 0.00 179.01 178.80 1i50 h GLN 1130N 0.50 0.32 -0.27 1.92 4.15 -0.99 -2.65 115.11 118.10 1i50 h GLN 1130Ca -0.05 -0.42 0.06 0.00 0.77 0.00 0.00 58.65 59.01 1i50 h GLN 1130Cb 1.39 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 29.16 1i50 h GLN 1130CO 0.16 1.13 -0.09 0.00 -1.93 0.00 0.00 178.83 178.09 1i50 h ALA 1131N 0.71 0.14 -1.00 3.38 0.00 -1.31 0.04 119.26 121.22 1i50 h ALA 1131Ca -0.10 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1i50 h ALA 1131Cb 1.73 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.71 1i50 h ALA 1131CO 0.18 -0.49 0.65 0.87 0.00 0.00 0.00 179.25 180.45 1i50 h LYS 1132N -0.04 1.22 0.86 0.00 1.57 -1.47 0.13 116.57 118.84 1i50 h LYS 1132Ca 0.13 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1i50 h LYS 1132Cb 0.24 -0.28 0.01 0.00 0.08 0.00 0.00 32.23 32.29 1i50 h LYS 1132CO -0.30 0.81 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.91 1i50 h LEU 1133N 1.26 -0.98 -1.57 2.94 3.38 -0.83 -1.44 115.31 118.06 1i50 h LEU 1133Ca 0.40 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.51 1i50 h LEU 1133Cb 0.01 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1i50 h LEU 1133CO -0.13 -0.68 0.45 0.40 0.09 0.00 0.00 178.44 178.57 1i50 h ILE 1134N -1.18 0.87 0.07 1.22 2.04 -0.81 -0.59 117.51 119.13 1i50 h ILE 1134Ca -0.12 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1i50 h ILE 1134Cb 0.89 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1i50 h ILE 1134CO 0.19 0.08 -0.04 -0.09 0.00 0.00 0.00 178.15 178.30 1i50 h ARG 1135N 0.47 -0.10 0.00 2.37 2.43 -0.55 -1.82 114.38 117.17 1i50 h ARG 1135Ca 0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1i50 h ARG 1135Cb 0.62 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1i50 h ARG 1135CO -0.10 -0.07 0.00 0.66 -1.51 0.00 0.00 179.97 178.95 1i50 h SER 1136N -0.11 0.00 0.10 -3.80 4.64 -0.16 -0.70 113.55 113.52 1i50 h SER 1136Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1i50 h SER 1136Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1i50 h SER 1136CO 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.88 1i50 n ALA 1137N -2.00 2.76 -0.04 5.18 0.00 -0.35 -4.24 120.51 121.82 1i50 n ALA 1137Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 1i50 n ALA 1137Cb 0.28 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1i50 n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1i50 n ILE 1138N -0.27 0.43 -1.55 0.00 5.41 -0.86 -4.06 119.36 118.47 1i50 n ILE 1138Ca 0.17 -0.11 -0.50 0.00 1.00 0.00 0.00 62.75 63.31 1i50 n ILE 1138Cb 0.33 -1.59 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 1i50 n ILE 1138CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1i50 n GLU 1139N -3.34 1.49 -1.68 0.38 2.13 -0.31 -0.43 120.64 118.88 1i50 n GLU 1139Ca -0.16 0.47 -0.45 0.00 0.66 0.00 0.00 57.16 57.68 1i50 n GLU 1139Cb 0.61 -2.58 -0.03 0.00 0.27 0.00 0.00 31.44 29.71 1i50 n GLU 1139CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1i50 n HIS 1140N 8.85 2.30 -3.70 4.31 -0.00 0.49 -4.20 115.22 123.27 1i50 n HIS 1140Ca 0.33 0.33 -0.24 0.00 -0.00 0.00 0.00 57.72 58.14 1i50 n HIS 1140Cb 0.27 -2.52 -0.17 0.00 -0.00 0.00 0.00 29.99 27.57 1i50 n HIS 1140CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1i50 s THR 1141N 0.40 0.21 0.44 3.57 2.01 0.10 -4.90 115.64 117.47 1i50 s THR 1141Ca 0.72 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.71 1i50 s THR 1141Cb -0.64 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1i50 s THR 1141CO 0.44 -0.02 0.60 0.42 -0.69 0.00 0.00 174.62 175.36 1i50 s THR 1142N 2.02 3.05 0.34 -0.82 -4.23 -1.26 -0.98 115.64 113.76 1i50 s THR 1142Ca 0.03 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1i50 s THR 1142Cb -0.15 -3.04 0.17 0.00 1.34 0.00 0.00 72.50 70.82 1i50 s THR 1142CO -0.07 -0.02 1.89 0.25 -0.54 0.00 0.00 174.62 176.13 1i50 h LEU 1143N 0.56 0.52 -2.46 4.79 5.85 -1.69 -2.37 115.31 120.51 1i50 h LEU 1143Ca -0.41 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1i50 h LEU 1143Cb 1.28 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1i50 h LEU 1143CO 0.47 0.56 0.11 0.50 -0.34 0.00 0.00 178.44 179.74 1i50 h LYS 1144N 0.54 0.00 0.00 1.25 3.64 -1.49 -0.74 116.57 119.77 1i50 h LYS 1144Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1i50 h LYS 1144Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1i50 h LYS 1144CO 0.01 0.00 -0.13 -1.13 -2.27 0.00 0.00 179.45 175.93 1i50 n SER 1145N -3.54 0.16 0.00 4.20 3.41 -0.89 -3.81 113.62 113.15 1i50 n SER 1145Ca -0.01 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1i50 n SER 1145Cb 0.20 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1i50 n SER 1145CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1i50 n VAL 1146N -1.54 0.00 -3.60 -3.33 0.31 -0.34 -4.92 118.33 104.91 1i50 n VAL 1146Ca 0.07 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.53 1i50 n VAL 1146Cb 0.34 1.01 -0.07 0.00 -0.91 0.00 0.00 33.84 34.21 1i50 n VAL 1146CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1i50 s THR 1147N -0.16 5.29 -0.13 2.52 2.01 -0.87 -1.25 115.64 123.05 1i50 s THR 1147Ca 0.00 0.53 -0.23 0.00 0.31 0.00 0.00 61.69 62.30 1i50 s THR 1147Cb 0.00 -3.60 -0.26 0.00 0.01 0.00 0.00 72.50 68.66 1i50 s THR 1147CO 0.00 0.47 0.61 0.40 -0.69 0.00 0.00 174.62 175.41 1i50 h ILE 1148N 4.35 1.35 -2.07 1.82 2.04 0.06 -3.47 117.51 121.58 1i50 h ILE 1148Ca -0.46 -2.36 0.07 0.00 1.00 0.00 0.00 64.86 63.11 1i50 h ILE 1148Cb 1.19 2.92 -0.18 0.00 -0.74 0.00 0.00 36.82 40.01 1i50 h ILE 1148CO 0.69 0.58 0.44 0.00 0.00 0.00 0.00 178.15 179.87 1i50 s ALA 1149N -2.35 -1.83 0.10 1.87 0.00 -1.20 -5.01 121.76 113.33 1i50 s ALA 1149Ca -0.21 1.19 0.10 0.00 0.00 0.00 0.00 51.96 53.05 1i50 s ALA 1149Cb 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1i50 s ALA 1149CO 0.71 -0.53 -0.25 -1.54 0.00 0.00 0.00 175.76 174.15 1i50 s SER 1150N -1.89 3.08 0.02 0.00 1.04 -1.26 -1.31 113.70 113.38 1i50 s SER 1150Ca 0.00 -0.69 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 1i50 s SER 1150Cb -0.01 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1i50 s SER 1150CO -0.03 0.17 0.15 -1.61 0.98 0.00 0.00 173.24 172.90 1i50 s GLU 1151N -1.78 0.55 -0.16 4.02 2.02 0.01 -4.98 118.70 118.38 1i50 s GLU 1151Ca 0.12 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.61 1i50 s GLU 1151Cb -0.10 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.36 1i50 s GLU 1151CO 0.04 -0.14 -0.16 0.42 0.02 0.00 0.00 175.26 175.44 1i50 s ILE 1152N -1.84 2.58 0.30 -1.63 1.01 -1.26 0.02 121.20 120.38 1i50 s ILE 1152Ca -0.11 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 59.85 1i50 s ILE 1152Cb -0.05 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1i50 s ILE 1152CO -0.00 0.52 -0.13 -0.31 0.00 0.00 0.00 174.94 175.01 1i50 s TYR 1153N 0.90 2.40 -0.45 3.97 1.51 0.97 -4.93 117.35 121.71 1i50 s TYR 1153Ca -0.04 -0.36 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 1i50 s TYR 1153Cb -0.15 -1.15 0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1i50 s TYR 1153CO -0.02 0.65 0.37 -0.47 -1.11 0.00 0.00 175.55 174.98 1i50 s TYR 1154N -2.50 3.23 -0.43 2.71 5.04 -1.26 -0.45 117.35 123.68 1i50 s TYR 1154Ca 0.31 -0.74 0.03 0.00 -2.44 0.00 0.00 57.07 54.23 1i50 s TYR 1154Cb -0.03 -2.94 0.16 0.00 0.35 0.00 0.00 41.96 39.49 1i50 s TYR 1154CO 0.16 -0.72 0.31 0.34 -1.34 0.00 0.00 175.55 174.30 1i50 s ASP 1155N 2.19 2.41 0.20 4.32 2.15 -0.05 -4.93 116.67 122.96 1i50 s ASP 1155Ca 0.05 -2.87 -0.11 0.00 0.43 0.00 0.00 52.55 50.06 1i50 s ASP 1155Cb -0.21 -0.61 0.13 0.00 -0.30 0.00 0.00 42.92 41.92 1i50 s ASP 1155CO 0.09 -0.21 1.83 1.55 -0.17 0.00 0.00 175.17 178.25 1i50 h PRO 1156N 6.10 0.96 -5.36 4.34 0.13 -1.91 -3.42 132.00 132.85 1i50 h PRO 1156Ca 0.17 -0.10 -0.65 0.00 -0.87 0.00 0.00 66.00 64.55 1i50 h PRO 1156Cb 0.91 -0.20 -0.15 0.00 0.13 0.00 0.00 31.00 31.69 1i50 h PRO 1156CO 0.39 0.70 0.73 0.34 -0.23 0.00 0.00 178.00 179.93 1i50 s ASP 1157N -5.97 6.36 0.00 1.44 2.15 -1.26 -4.78 116.67 114.61 1i50 s ASP 1157Ca -0.13 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 51.45 1i50 s ASP 1157Cb 0.14 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1i50 s ASP 1157CO 0.79 -1.32 0.56 -0.81 -0.17 0.00 0.00 175.17 174.22 1i50 n PRO 1158N 7.40 0.00 0.00 4.34 -0.04 -1.26 -2.67 135.00 142.77 1i50 n PRO 1158Ca 0.09 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1i50 n PRO 1158Cb 0.47 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1i50 n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1i50 n ARG 1159N -1.06 0.00 -2.82 0.54 1.74 -1.26 -4.97 116.66 108.83 1i50 n ARG 1159Ca 0.00 0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 1i50 n ARG 1159Cb 0.12 -0.34 -0.06 0.00 -1.02 0.00 0.00 32.46 31.16 1i50 n ARG 1159CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i50 s SER 1160N -2.83 7.30 0.14 0.55 1.04 -1.09 -4.89 113.70 113.93 1i50 s SER 1160Ca 0.00 1.78 0.07 0.00 0.48 0.00 0.00 55.95 58.29 1i50 s SER 1160Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1i50 s SER 1160CO 0.00 -0.06 -0.05 -0.89 0.98 0.00 0.00 173.24 173.23 1i50 s THR 1161N -1.61 3.56 -0.73 2.02 2.01 -1.26 -4.37 115.64 115.26 1i50 s THR 1161Ca 0.49 -1.36 0.26 0.00 0.31 0.00 0.00 61.69 61.40 1i50 s THR 1161Cb -0.18 -2.74 0.29 0.00 0.01 0.00 0.00 72.50 69.88 1i50 s THR 1161CO 0.23 -0.01 1.78 0.52 -0.69 0.00 0.00 174.62 176.45 1i50 n VAL 1162N 0.25 0.60 -3.50 3.82 0.31 -1.26 -4.61 118.33 113.94 1i50 n VAL 1162Ca -0.11 -0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 63.53 1i50 n VAL 1162Cb 0.54 -0.59 -0.10 0.00 -0.91 0.00 0.00 33.84 32.78 1i50 n VAL 1162CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1i50 s ILE 1163N -3.10 5.26 0.06 2.52 1.01 -1.26 -5.01 121.20 120.69 1i50 s ILE 1163Ca 0.11 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 1i50 s ILE 1163Cb 0.12 -3.74 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 1i50 s ILE 1163CO 0.60 -0.03 1.38 1.55 0.00 0.00 0.00 174.94 178.43 1i50 h PRO 1164N 8.49 -0.61 0.00 2.79 0.13 -2.03 -2.76 132.00 138.01 1i50 h PRO 1164Ca -0.31 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1i50 h PRO 1164Cb 1.15 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1i50 h PRO 1164CO 0.65 -0.40 0.41 0.93 -0.23 0.00 0.00 178.00 179.35 1i50 h GLU 1165N -0.63 0.00 -0.73 0.86 5.08 -1.98 0.14 114.58 117.32 1i50 h GLU 1165Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1i50 h GLU 1165Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1i50 h GLU 1165CO -0.10 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.66 1i50 n ASP 1166N -2.31 3.95 -0.03 1.42 8.00 -1.04 -4.38 116.55 122.16 1i50 n ASP 1166Ca -0.01 -2.02 -0.14 0.00 0.71 0.00 0.00 54.79 53.33 1i50 n ASP 1166Cb 0.43 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 1i50 n ASP 1166CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1i50 h GLU 1167N 4.26 0.17 -0.05 -1.24 5.08 -0.80 -2.69 114.58 119.31 1i50 h GLU 1167Ca 0.00 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1i50 h GLU 1167Cb 1.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1i50 h GLU 1167CO 0.01 0.73 0.06 1.49 -1.00 0.00 0.00 179.01 180.30 1i50 h GLU 1168N -0.36 0.00 0.00 2.33 4.81 -1.78 -1.98 114.58 117.61 1i50 h GLU 1168Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1i50 h GLU 1168Cb 0.73 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1i50 h GLU 1168CO 0.03 0.00 -1.30 0.97 -0.73 0.00 0.00 179.01 177.98 1i50 h ILE 1169N 0.00 1.07 0.00 2.32 2.10 -1.78 -2.31 117.51 118.91 1i50 h ILE 1169Ca 0.02 -2.76 -0.04 0.00 1.08 0.00 0.00 64.86 63.16 1i50 h ILE 1169Cb 0.13 2.49 -0.01 0.00 -1.09 0.00 0.00 36.82 38.35 1i50 h ILE 1169CO -0.00 0.61 -0.51 0.40 -1.08 0.00 0.00 178.15 177.57 1i50 h ILE 1170N 0.00 0.23 0.17 2.19 2.04 -1.10 -3.25 117.51 117.80 1i50 h ILE 1170Ca -0.15 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 1i50 h ILE 1170Cb 1.79 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1i50 h ILE 1170CO 0.09 0.13 -0.08 1.56 0.00 0.00 0.00 178.15 179.85 1i50 h GLN 1171N 0.00 -0.22 0.00 2.37 4.20 -1.46 -3.25 115.11 116.74 1i50 h GLN 1171Ca -0.02 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i50 h GLN 1171Cb 1.14 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1i50 h GLN 1171CO 0.02 -0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.31 1i50 n LEU 1172N -3.82 0.00 -2.64 1.46 4.77 -0.87 -2.18 117.00 113.73 1i50 n LEU 1172Ca -0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 1i50 n LEU 1172Cb 0.09 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1i50 n LEU 1172CO 0.07 0.00 0.58 1.41 -1.33 0.00 0.00 177.39 178.12 1i50 n HIS 1173N -0.72 3.32 -2.23 -1.77 8.25 -1.22 -4.49 115.22 116.35 1i50 n HIS 1173Ca 0.00 -2.93 -0.01 0.00 -0.26 0.00 0.00 57.72 54.52 1i50 n HIS 1173Cb 0.00 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 30.67 1i50 n HIS 1173CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1i50 n PHE 1174N -0.48 0.00 -3.70 4.41 3.01 -0.93 -5.04 117.46 114.74 1i50 n PHE 1174Ca 0.43 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1i50 n PHE 1174Cb 0.53 0.18 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1i50 n PHE 1174CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1i50 n SER 1175N 0.23 1.98 -4.24 4.37 3.41 -1.26 -5.18 113.62 112.92 1i50 n SER 1175Ca -0.11 -0.71 -0.41 0.00 -0.26 0.00 0.00 58.87 57.38 1i50 n SER 1175Cb 0.90 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1i50 n SER 1175CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1i50 s LEU 1176N 0.00 6.02 0.00 1.04 0.20 -1.26 -5.21 118.68 119.46 1i50 s LEU 1176Ca 0.00 -3.67 0.00 0.00 0.69 0.00 0.00 54.13 51.15 1i50 s LEU 1176Cb 0.00 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.67 1i50 s LEU 1176CO 0.00 -0.24 0.00 0.00 -0.29 0.00 0.00 176.35 175.82 1i50 n GLN 1187N 2.52 0.00 -2.37 1.98 10.64 -1.26 -5.29 117.38 123.60 1i50 n GLN 1187Ca 0.23 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.98 1i50 n GLN 1187Cb 0.38 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.73 1i50 n GLN 1187CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1i50 s GLN 1188N 0.00 4.43 0.59 2.61 -0.21 -1.26 -4.21 119.66 121.60 1i50 s GLN 1188Ca 0.00 1.84 -0.12 0.00 0.02 0.00 0.00 55.36 57.10 1i50 s GLN 1188Cb 0.00 -3.31 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 1i50 s GLN 1188CO 0.00 -0.25 1.01 -1.54 -2.12 0.00 0.00 175.29 172.39 1i50 s SER 1189N 0.88 6.32 0.00 5.90 1.04 -0.86 -4.94 113.70 122.03 1i50 s SER 1189Ca 0.58 1.44 0.20 0.00 0.48 0.00 0.00 55.95 58.66 1i50 s SER 1189Cb -0.31 -2.47 1.06 0.00 0.10 0.00 0.00 66.02 64.39 1i50 s SER 1189CO 0.31 -0.80 1.64 -0.81 0.98 0.00 0.00 173.24 174.56 1i50 n PRO 1190N -2.48 0.34 -3.17 4.02 -0.04 -1.26 -4.76 135.00 127.66 1i50 n PRO 1190Ca 0.06 0.08 -0.39 0.00 -0.04 0.00 0.00 63.50 63.21 1i50 n PRO 1190Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1i50 n PRO 1190CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1i50 s TRP 1191N -2.50 3.64 -0.16 0.54 0.52 -1.26 -0.87 118.94 118.85 1i50 s TRP 1191Ca 0.21 1.19 0.01 0.00 0.02 0.00 0.00 56.10 57.53 1i50 s TRP 1191Cb 0.14 -2.66 0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1i50 s TRP 1191CO 0.30 0.26 -0.18 -1.17 0.02 0.00 0.00 176.95 176.19 1i50 s LEU 1192N 0.15 2.30 -0.19 2.99 2.96 0.40 -4.47 118.68 122.82 1i50 s LEU 1192Ca 0.32 -0.55 -0.14 0.00 -0.22 0.00 0.00 54.13 53.55 1i50 s LEU 1192Cb -0.18 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1i50 s LEU 1192CO 0.17 0.06 0.30 -0.22 -1.32 0.00 0.00 176.35 175.34 1i50 s LEU 1193N 0.95 4.18 -0.11 -0.68 2.96 -0.18 -0.02 118.68 125.78 1i50 s LEU 1193Ca -0.03 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1i50 s LEU 1193Cb -0.15 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.21 1i50 s LEU 1193CO -0.03 0.03 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.34 1i50 s ARG 1194N 0.91 1.54 -0.08 1.98 3.52 0.10 -0.49 118.95 126.42 1i50 s ARG 1194Ca 0.15 -0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1i50 s ARG 1194Cb -0.14 -1.55 -0.03 0.00 -1.56 0.00 0.00 34.95 31.67 1i50 s ARG 1194CO 0.05 -0.23 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.75 1i50 s LEU 1195N 1.56 3.26 -0.31 -0.88 1.43 -0.29 -0.81 118.68 122.65 1i50 s LEU 1195Ca 0.02 -0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1i50 s LEU 1195Cb -0.13 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1i50 s LEU 1195CO -0.07 0.34 0.09 -0.70 0.23 0.00 0.00 176.35 176.24 1i50 s GLU 1196N -0.67 2.91 0.29 1.70 2.12 -0.43 -1.70 118.70 122.91 1i50 s GLU 1196Ca 0.10 -0.98 -0.03 0.00 0.36 0.00 0.00 54.97 54.41 1i50 s GLU 1196Cb -0.11 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1i50 s GLU 1196CO 0.02 -0.53 0.53 -0.51 -0.54 0.00 0.00 175.26 174.23 1i50 s LEU 1197N 1.46 4.07 -0.24 2.70 1.43 -0.19 0.78 118.68 128.69 1i50 s LEU 1197Ca 0.01 0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 53.65 1i50 s LEU 1197Cb -0.18 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1i50 s LEU 1197CO 0.03 -0.20 0.09 -0.62 0.23 0.00 0.00 176.35 175.88 1i50 s ASP 1198N -3.33 5.44 0.15 2.29 -1.08 -0.38 -4.37 116.67 115.39 1i50 s ASP 1198Ca 0.42 -0.09 -0.18 0.00 -0.52 0.00 0.00 52.55 52.18 1i50 s ASP 1198Cb -0.11 -1.97 0.05 0.00 -1.46 0.00 0.00 42.92 39.43 1i50 s ASP 1198CO 0.31 0.02 1.68 0.03 0.52 0.00 0.00 175.17 177.73 1i50 h ARG 1199N 7.82 -0.02 -0.16 4.34 3.08 -1.97 0.10 114.38 127.58 1i50 h ARG 1199Ca -0.37 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.70 1i50 h ARG 1199Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 1i50 h ARG 1199CO 0.61 -0.01 -0.15 0.00 -1.07 0.00 0.00 179.97 179.34 1i50 h ALA 1200N 1.29 -0.34 -0.54 0.04 0.00 -1.99 0.52 119.26 118.25 1i50 h ALA 1200Ca 0.15 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1i50 h ALA 1200Cb 0.25 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1i50 h ALA 1200CO -0.34 -0.43 0.36 0.00 0.00 0.00 0.00 179.25 178.85 1i50 h ALA 1201N -0.85 1.89 -0.35 0.00 0.00 -1.89 0.45 119.26 118.52 1i50 h ALA 1201Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1i50 h ALA 1201Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i50 h ALA 1201CO -0.19 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.74 1i50 n MET 1202N -4.47 0.00 0.27 0.00 2.00 0.41 -1.76 117.12 113.57 1i50 n MET 1202Ca 0.07 0.44 0.13 0.00 0.00 0.00 0.00 57.70 58.34 1i50 n MET 1202Cb 0.26 -1.41 0.77 0.00 0.00 0.00 0.00 33.22 32.83 1i50 n MET 1202CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 1i50 h ASN 1203N 0.00 0.00 0.02 7.83 7.08 -0.10 -2.35 115.58 128.06 1i50 h ASN 1203Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1i50 h ASN 1203Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1i50 h ASN 1203CO 0.00 0.09 -0.01 -0.78 -2.08 0.00 0.00 177.43 174.65 1i50 h ASP 1204N 0.00 -0.02 -0.28 6.14 1.82 -0.87 -2.40 116.42 120.81 1i50 h ASP 1204Ca -0.00 -0.13 -0.11 0.00 -0.39 0.00 0.00 57.03 56.40 1i50 h ASP 1204Cb 0.22 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.17 1i50 h ASP 1204CO 0.01 0.12 0.14 0.29 -1.61 0.00 0.00 179.24 178.19 1i50 n LYS 1205N -5.04 1.70 -3.79 0.28 5.02 -0.73 -4.90 118.16 110.71 1i50 n LYS 1205Ca -0.08 -0.99 -0.25 0.00 -2.02 0.00 0.00 58.31 54.97 1i50 n LYS 1205Cb 0.10 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1i50 n LYS 1205CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1i50 n ASP 1206N 0.05 -4.66 -4.05 4.39 8.00 -0.90 -4.97 116.55 114.40 1i50 n ASP 1206Ca 0.16 -0.98 -0.21 0.00 0.71 0.00 0.00 54.79 54.47 1i50 n ASP 1206Cb 0.77 -1.56 -0.15 0.00 -0.02 0.00 0.00 41.12 40.17 1i50 n ASP 1206CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i50 s LEU 1207N -5.01 1.94 0.04 0.64 1.43 -0.91 -5.03 118.68 111.77 1i50 s LEU 1207Ca 0.02 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1i50 s LEU 1207Cb -0.01 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 1i50 s LEU 1207CO 0.88 0.12 0.14 -0.89 0.23 0.00 0.00 176.35 176.83 1i50 s THR 1208N -0.09 4.98 0.22 5.49 2.01 -1.26 -4.47 115.64 122.53 1i50 s THR 1208Ca 0.01 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1i50 s THR 1208Cb -0.06 -3.38 0.17 0.00 0.01 0.00 0.00 72.50 69.24 1i50 s THR 1208CO 0.00 0.21 1.80 0.24 -0.69 0.00 0.00 174.62 176.18 1i50 h MET 1209N 3.47 0.69 -0.90 4.92 2.86 -1.96 0.08 114.93 124.10 1i50 h MET 1209Ca -0.47 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 1i50 h MET 1209Cb 1.17 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.63 1i50 h MET 1209CO 0.69 0.46 0.52 0.78 1.06 0.00 0.00 176.91 180.41 1i50 h GLY 1210N 0.71 1.32 0.88 8.32 0.00 -1.94 0.55 103.07 112.90 1i50 h GLY 1210Ca 0.34 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1i50 h GLY 1210CO -0.22 0.55 -0.31 1.46 0.00 0.00 0.00 176.54 178.02 1i50 h GLN 1211N 1.25 -0.84 -0.10 4.80 4.20 -1.55 0.15 115.11 123.01 1i50 h GLN 1211Ca 0.32 0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.13 1i50 h GLN 1211Cb -0.01 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 1i50 h GLN 1211CO -0.06 -0.52 -0.36 0.28 -0.67 0.00 0.00 178.83 177.50 1i50 h VAL 1212N -1.01 0.23 -0.00 -0.54 2.07 -0.91 -1.22 116.25 114.88 1i50 h VAL 1212Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1i50 h VAL 1212Cb 0.70 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1i50 h VAL 1212CO 0.15 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.97 1i50 h GLY 1213N -0.45 0.00 1.64 2.17 0.00 -0.88 -1.60 103.07 103.95 1i50 h GLY 1213Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1i50 h GLY 1213CO -0.35 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.37 1i50 n GLU 1214N -5.08 0.18 -0.02 4.80 1.02 0.51 -1.01 120.64 121.04 1i50 n GLU 1214Ca -0.07 0.16 -0.22 0.00 -0.02 0.00 0.00 57.16 57.01 1i50 n GLU 1214Cb 0.04 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 1i50 n GLU 1214CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i50 h ARG 1215N 0.00 0.20 -0.08 3.49 9.65 -0.58 -2.71 114.38 124.34 1i50 h ARG 1215Ca 0.00 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1i50 h ARG 1215Cb 0.16 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1i50 h ARG 1215CO 0.00 1.16 0.04 0.82 2.80 0.00 0.00 179.97 184.79 1i50 h ILE 1216N -0.29 1.10 -0.29 1.20 2.04 -0.72 -2.78 117.51 117.78 1i50 h ILE 1216Ca -0.38 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1i50 h ILE 1216Cb 1.79 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.97 1i50 h ILE 1216CO 0.00 0.09 -0.08 0.50 0.00 0.00 0.00 178.15 178.66 1i50 h LYS 1217N 0.01 -0.01 -0.56 2.37 3.64 -1.22 0.79 116.57 121.59 1i50 h LYS 1217Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1i50 h LYS 1217Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1i50 h LYS 1217CO -0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.17 1i50 n GLN 1218N -5.25 0.61 -0.00 1.90 10.64 -1.02 -2.72 117.38 121.54 1i50 n GLN 1218Ca -0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1i50 n GLN 1218Cb 0.17 -1.28 -0.00 0.00 -0.86 0.00 0.00 30.24 28.27 1i50 n GLN 1218CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1i50 n THR 1219N 0.13 0.05 -1.39 -0.39 -1.04 0.23 -4.78 114.28 107.09 1i50 n THR 1219Ca 0.00 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 1i50 n THR 1219Cb 0.14 -0.84 0.05 0.00 -1.82 0.00 0.00 70.33 67.86 1i50 n THR 1219CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1i50 n PHE 1220N -2.69 2.72 0.00 -1.42 3.01 -0.91 -5.03 117.46 113.14 1i50 n PHE 1220Ca -0.01 -2.59 0.00 0.00 1.01 0.00 0.00 57.45 55.85 1i50 n PHE 1220Cb 0.51 -1.30 0.00 0.00 -0.01 0.00 0.00 39.48 38.68 1i50 n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1i50 n LYS 1221N -0.45 0.00 -0.04 -1.08 5.02 -1.25 -1.09 118.16 119.27 1i50 n LYS 1221Ca 0.54 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1i50 n LYS 1221Cb 0.55 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 35.97 1i50 n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1i50 n ASN 1222N -3.31 1.84 -0.51 4.39 3.02 -1.26 -4.09 115.26 115.34 1i50 n ASN 1222Ca 0.00 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 1i50 n ASN 1222Cb 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1i50 n ASN 1222CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1i50 n ASP 1223N 0.43 0.71 -3.64 6.41 8.00 -0.25 -4.72 116.55 123.49 1i50 n ASP 1223Ca 0.18 -1.37 -0.06 0.00 0.71 0.00 0.00 54.79 54.24 1i50 n ASP 1223Cb 0.39 -0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1i50 n ASP 1223CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1i50 s LEU 1224N 0.00 -0.57 -0.27 0.64 2.96 -1.15 -4.06 118.68 116.24 1i50 s LEU 1224Ca 0.00 0.98 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 1i50 s LEU 1224Cb 0.00 1.93 -0.03 0.00 0.50 0.00 0.00 46.19 48.59 1i50 s LEU 1224CO 0.00 -0.16 0.45 0.12 -1.32 0.00 0.00 176.35 175.44 1i50 s PHE 1225N 0.92 3.25 -0.04 5.38 5.36 -0.39 -4.96 117.98 127.50 1i50 s PHE 1225Ca -0.04 0.51 0.04 0.00 -0.96 0.00 0.00 56.93 56.48 1i50 s PHE 1225Cb -0.04 -2.66 -0.00 0.00 -0.34 0.00 0.00 43.02 39.97 1i50 s PHE 1225CO -0.12 -0.27 -0.17 0.08 -1.46 0.00 0.00 175.22 173.28 1i50 s VAL 1226N 2.21 1.43 0.04 3.12 1.01 -1.26 -1.79 120.40 125.16 1i50 s VAL 1226Ca 0.18 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1i50 s VAL 1226Cb -0.16 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1i50 s VAL 1226CO 0.10 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.97 1i50 s ILE 1227N 0.01 0.18 0.01 2.22 1.01 -0.96 -5.03 121.20 118.63 1i50 s ILE 1227Ca -0.03 -1.50 -0.24 0.00 0.00 0.00 0.00 60.65 58.88 1i50 s ILE 1227Cb -0.11 -1.15 0.05 0.00 0.01 0.00 0.00 42.46 41.26 1i50 s ILE 1227CO 0.02 -0.83 0.53 -1.66 0.00 0.00 0.00 174.94 173.01 1i50 s TRP 1228N -3.20 -0.46 0.76 3.97 -2.14 -1.26 -1.56 118.94 115.06 1i50 s TRP 1228Ca 0.00 0.64 -0.11 0.00 2.66 0.00 0.00 56.10 59.29 1i50 s TRP 1228Cb 0.03 0.32 0.05 0.00 -3.10 0.00 0.00 33.47 30.77 1i50 s TRP 1228CO -0.07 -0.59 1.08 -1.54 -2.66 0.00 0.00 176.95 173.17 1i50 s SER 1229N -1.63 4.65 0.55 -2.66 1.04 -0.24 -5.02 113.70 110.39 1i50 s SER 1229Ca -0.08 1.72 -0.05 0.00 0.48 0.00 0.00 55.95 58.02 1i50 s SER 1229Cb -0.01 -2.46 -0.00 0.00 0.10 0.00 0.00 66.02 63.64 1i50 s SER 1229CO 0.03 -1.92 0.85 -1.61 0.98 0.00 0.00 173.24 171.56 1i50 s GLU 1230N -4.96 3.07 0.47 4.02 2.02 -1.26 -4.77 118.70 117.29 1i50 s GLU 1230Ca 0.60 -0.03 0.28 0.00 0.02 0.00 0.00 54.97 55.84 1i50 s GLU 1230Cb -0.16 -2.33 1.50 0.00 0.10 0.00 0.00 34.13 33.23 1i50 s GLU 1230CO 0.56 -0.54 1.82 -0.44 0.02 0.00 0.00 175.26 176.68 1i50 h ASP 1231N -0.02 0.00 0.43 -0.19 3.32 -1.97 -2.73 116.42 115.27 1i50 h ASP 1231Ca -0.46 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.28 1i50 h ASP 1231Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1i50 h ASP 1231CO 0.60 0.00 -1.52 0.78 -1.72 0.00 0.00 179.24 177.39 1i50 h ASN 1232N 0.00 0.46 -3.51 6.45 2.35 -1.98 -3.47 115.58 115.88 1i50 h ASN 1232Ca 0.00 -0.60 -0.57 0.00 -0.55 0.00 0.00 56.30 54.57 1i50 h ASN 1232Cb 0.22 -0.15 0.16 0.00 0.05 0.00 0.00 38.32 38.60 1i50 h ASN 1232CO 0.00 1.50 0.15 0.47 -1.65 0.00 0.00 177.43 177.89 1i50 n ASP 1233N -3.50 0.92 0.18 5.81 8.00 -1.03 -4.88 116.55 122.05 1i50 n ASP 1233Ca -0.16 0.85 0.14 0.00 0.71 0.00 0.00 54.79 56.32 1i50 n ASP 1233Cb 1.05 -1.39 0.56 0.00 -0.02 0.00 0.00 41.12 41.32 1i50 n ASP 1233CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1i50 h GLU 1234N 0.71 0.00 -4.74 -1.24 4.11 -1.91 -3.42 114.58 108.10 1i50 h GLU 1234Ca -0.48 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.37 1i50 h GLU 1234Cb 1.36 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.26 1i50 h GLU 1234CO 0.52 0.00 -0.83 0.15 0.07 0.00 0.00 179.01 178.92 1i50 s LYS 1235N -3.44 2.18 -0.44 1.06 1.02 -1.26 -5.08 119.74 113.78 1i50 s LYS 1235Ca 0.03 -0.55 -0.24 0.00 0.02 0.00 0.00 55.97 55.23 1i50 s LYS 1235Cb 0.09 -1.84 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1i50 s LYS 1235CO 0.44 -0.05 0.83 -0.51 -0.92 0.00 0.00 175.35 175.15 1i50 s LEU 1236N 0.93 4.15 0.01 3.17 1.43 -1.26 -4.86 118.68 122.25 1i50 s LEU 1236Ca -0.08 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1i50 s LEU 1236Cb -0.15 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 1i50 s LEU 1236CO -0.01 -0.94 -0.06 -0.63 0.23 0.00 0.00 176.35 174.94 1i50 s ILE 1237N 3.42 0.48 -0.08 -0.59 1.01 -1.26 -1.02 121.20 123.16 1i50 s ILE 1237Ca 0.33 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1i50 s ILE 1237Cb -0.12 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 41.92 1i50 s ILE 1237CO 0.23 0.00 -0.18 -0.63 0.00 0.00 0.00 174.94 174.36 1i50 s ILE 1238N -0.44 1.56 -0.07 2.92 1.01 -0.69 -1.08 121.20 124.40 1i50 s ILE 1238Ca -0.01 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1i50 s ILE 1238Cb -0.04 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1i50 s ILE 1238CO -0.00 0.45 -0.13 -0.13 0.00 0.00 0.00 174.94 175.13 1i50 s ARG 1239N 0.50 2.77 -0.01 2.79 0.52 -0.60 -1.13 118.95 123.79 1i50 s ARG 1239Ca -0.16 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.37 1i50 s ARG 1239Cb -0.17 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1i50 s ARG 1239CO 0.06 0.53 0.03 0.00 0.02 0.00 0.00 175.30 175.94 1i50 s ARG 1241N -0.07 0.92 0.55 0.00 0.52 -0.74 -1.01 118.95 119.12 1i50 s ARG 1241Ca -0.01 -0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 54.55 1i50 s ARG 1241Cb -0.01 -0.89 -0.05 0.00 0.52 0.00 0.00 34.95 34.52 1i50 s ARG 1241CO 0.00 0.24 1.20 0.08 0.02 0.00 0.00 175.30 176.84 1i50 s VAL 1242N -0.34 2.77 -0.40 3.52 1.01 -1.26 -1.26 120.40 124.44 1i50 s VAL 1242Ca 0.04 0.51 0.09 0.00 0.00 0.00 0.00 61.98 62.61 1i50 s VAL 1242Cb -0.05 -3.22 0.28 0.00 0.00 0.00 0.00 36.38 33.39 1i50 s VAL 1242CO -0.00 -0.08 0.64 0.55 0.00 0.00 0.00 175.10 176.21 1i50 n VAL 1243N -1.27 -0.45 -0.22 2.92 3.14 -1.26 -2.03 118.33 119.17 1i50 n VAL 1243Ca 0.12 -3.83 0.00 0.00 -2.96 0.00 0.00 64.34 57.67 1i50 n VAL 1243Cb 0.49 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 1i50 n VAL 1243CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i50 n ALA 1254N 1.05 0.00 -1.51 1.55 0.00 -1.26 -4.91 120.51 115.43 1i50 n ALA 1254Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 1i50 n ALA 1254Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1i50 n ALA 1254CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i50 n GLU 1255N -2.12 -0.70 0.00 0.00 1.02 -1.26 -4.96 120.64 112.61 1i50 n GLU 1255Ca 0.00 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1i50 n GLU 1255Cb 0.00 -4.69 0.00 0.00 -0.02 0.00 0.00 31.44 26.73 1i50 n GLU 1255CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1i50 n GLU 1256N -2.52 0.00 -0.33 3.49 -0.58 -1.26 -2.71 120.64 116.73 1i50 n GLU 1256Ca -0.10 0.57 0.26 0.00 -0.42 0.00 0.00 57.16 57.47 1i50 n GLU 1256Cb 0.39 -1.47 0.42 0.00 -0.57 0.00 0.00 31.44 30.20 1i50 n GLU 1256CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1i50 n ASP 1257N -2.12 0.05 -0.05 1.62 8.00 -1.26 -0.41 116.55 122.39 1i50 n ASP 1257Ca 0.00 0.65 -0.05 0.00 0.71 0.00 0.00 54.79 56.10 1i50 n ASP 1257Cb 0.00 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 1i50 n ASP 1257CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1i50 h HIS 1258N 0.00 -0.01 -0.97 1.24 2.76 -1.93 -3.19 115.15 113.06 1i50 h HIS 1258Ca 0.51 -0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.89 1i50 h HIS 1258Cb 1.86 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.70 1i50 h HIS 1258CO -0.00 0.36 0.54 0.52 -1.30 0.00 0.00 177.93 178.05 1i50 h MET 1259N -1.00 0.57 -0.17 5.26 2.86 -0.61 -1.68 114.93 120.17 1i50 h MET 1259Ca -0.00 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1i50 h MET 1259Cb 0.38 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1i50 h MET 1259CO 0.00 0.38 0.01 1.25 1.06 0.00 0.00 176.91 179.61 1i50 h LEU 1260N 0.59 -0.04 -2.08 1.22 5.85 -1.55 0.11 115.31 119.41 1i50 h LEU 1260Ca 0.59 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.35 1i50 h LEU 1260Cb 1.06 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1i50 h LEU 1260CO -0.45 0.01 0.00 0.11 -0.34 0.00 0.00 178.44 177.76 1i50 h LYS 1261N 0.07 0.00 0.08 1.25 1.57 -1.29 0.52 116.57 118.78 1i50 h LYS 1261Ca 0.08 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 1i50 h LYS 1261Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1i50 h LYS 1261CO -0.12 0.00 -0.91 0.87 -0.57 0.00 0.00 179.45 178.72 1i50 h LYS 1262N 0.00 0.18 -0.46 3.15 1.57 -1.04 -3.11 116.57 116.86 1i50 h LYS 1262Ca 0.00 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1i50 h LYS 1262Cb 0.16 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1i50 h LYS 1262CO 0.00 1.15 0.14 0.82 -0.57 0.00 0.00 179.45 180.98 1i50 h ILE 1263N -0.56 1.19 -0.92 1.86 2.04 0.18 -0.72 117.51 120.58 1i50 h ILE 1263Ca -0.20 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.02 1i50 h ILE 1263Cb 1.51 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1i50 h ILE 1263CO 0.04 0.25 0.60 1.05 0.00 0.00 0.00 178.15 180.09 1i50 h GLU 1264N 0.67 1.17 -0.03 2.37 -0.00 -0.08 -1.52 114.58 117.16 1i50 h GLU 1264Ca 0.16 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 59.44 1i50 h GLU 1264Cb 0.22 -0.26 -0.00 0.00 -0.00 0.00 0.00 28.75 28.70 1i50 h GLU 1264CO -0.01 0.77 -0.01 -0.97 -0.00 0.00 0.00 179.01 178.80 1i50 h ASN 1265N 1.20 0.06 -0.69 3.06 -0.73 -1.11 -2.28 115.58 115.09 1i50 h ASN 1265Ca 0.35 -0.39 0.10 0.00 1.87 0.00 0.00 56.30 58.23 1i50 h ASN 1265Cb -0.07 -0.02 -0.08 0.00 0.27 0.00 0.00 38.32 38.43 1i50 h ASN 1265CO -0.10 0.43 0.30 0.74 -0.37 0.00 0.00 177.43 178.44 1i50 h THR 1266N -0.33 0.78 0.06 -3.57 2.02 -1.02 -2.04 112.91 108.83 1i50 h THR 1266Ca 0.01 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1i50 h THR 1266Cb 0.41 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1i50 h THR 1266CO 0.00 0.09 -0.03 0.24 0.37 0.00 0.00 175.52 176.20 1i50 h MET 1267N 0.51 -0.08 -0.23 6.66 2.86 -1.18 0.13 114.93 123.60 1i50 h MET 1267Ca 0.35 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1i50 h MET 1267Cb 0.43 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1i50 h MET 1267CO -0.31 -0.04 -0.09 -0.07 1.06 0.00 0.00 176.91 177.46 1i50 h LEU 1268N -0.10 0.34 0.00 1.22 3.38 -0.99 -3.34 115.31 115.82 1i50 h LEU 1268Ca -0.01 -0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 1i50 h LEU 1268Cb 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1i50 h LEU 1268CO 0.01 0.47 -1.91 -0.62 0.09 0.00 0.00 178.44 176.48 1i50 n GLU 1269N -4.26 0.38 0.11 1.13 1.02 -0.80 -1.47 120.64 116.74 1i50 n GLU 1269Ca 0.00 0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 57.03 1i50 n GLU 1269Cb 0.27 -1.25 -0.15 0.00 -0.02 0.00 0.00 31.44 30.29 1i50 n GLU 1269CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1i50 h ASN 1270N -0.18 0.65 -3.23 1.62 2.35 -0.92 -3.47 115.58 112.40 1i50 h ASN 1270Ca -0.38 -0.80 -0.53 0.00 -0.55 0.00 0.00 56.30 54.05 1i50 h ASN 1270Cb 1.50 -0.21 0.03 0.00 0.05 0.00 0.00 38.32 39.68 1i50 h ASN 1270CO -0.12 1.65 0.66 -0.63 -1.65 0.00 0.00 177.43 177.35 1i50 s ILE 1271N -2.60 3.36 -0.30 2.81 1.01 -1.13 -4.98 121.20 119.36 1i50 s ILE 1271Ca -0.11 1.05 -0.13 0.00 0.00 0.00 0.00 60.65 61.47 1i50 s ILE 1271Cb 0.05 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1i50 s ILE 1271CO 0.90 0.12 0.25 -0.89 0.00 0.00 0.00 174.94 175.32 1i50 s THR 1272N 0.56 5.26 -0.01 2.92 2.01 -1.26 -3.76 115.64 121.37 1i50 s THR 1272Ca 0.59 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1i50 s THR 1272Cb -0.36 -3.64 -0.26 0.00 0.01 0.00 0.00 72.50 68.25 1i50 s THR 1272CO 0.34 0.12 0.80 -0.07 -0.69 0.00 0.00 174.62 175.13 1i50 h LEU 1273N 8.49 0.29 -7.00 4.42 3.38 -1.38 -3.49 115.31 120.01 1i50 h LEU 1273Ca -0.33 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.30 1i50 h LEU 1273Cb 1.17 -0.09 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 1i50 h LEU 1273CO 0.60 1.37 0.57 -0.60 0.09 0.00 0.00 178.44 180.47 1i50 s ARG 1274N -2.61 0.47 0.00 1.13 3.52 -1.16 -4.96 118.95 115.33 1i50 s ARG 1274Ca -0.09 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 1i50 s ARG 1274Cb 0.07 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 1i50 s ARG 1274CO 0.84 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.64 1i50 n GLY 1275N 1.47 -1.37 3.57 8.12 0.00 -1.26 0.02 105.19 115.74 1i50 n GLY 1275Ca -0.11 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.36 1i50 n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 1276N -0.77 3.60 0.20 1.61 1.01 0.43 -4.84 120.40 121.63 1i50 s VAL 1276Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 61.98 61.02 1i50 s VAL 1276Cb 0.00 -2.51 -0.11 0.00 0.00 0.00 0.00 36.38 33.76 1i50 s VAL 1276CO 0.00 0.50 1.64 -1.61 0.00 0.00 0.00 175.10 175.63 1i50 s GLU 1277N -1.09 4.16 0.00 2.72 8.01 -1.26 -2.45 118.70 128.80 1i50 s GLU 1277Ca 0.14 2.51 0.00 0.00 0.01 0.00 0.00 54.97 57.63 1i50 s GLU 1277Cb -0.11 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.61 1i50 s GLU 1277CO 0.04 -0.67 0.00 0.09 0.01 0.00 0.00 175.26 174.73 1i50 n ASN 1278N 3.71 0.00 -4.59 -0.19 3.02 -1.26 -4.69 115.26 111.26 1i50 n ASN 1278Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 1i50 n ASN 1278Cb 0.37 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1i50 n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i50 s ILE 1279N -2.11 4.00 0.00 2.41 1.09 -1.02 -4.21 121.20 121.36 1i50 s ILE 1279Ca 0.00 0.95 0.00 0.00 -1.10 0.00 0.00 60.65 60.50 1i50 s ILE 1279Cb 0.00 -4.54 0.00 0.00 -1.06 0.00 0.00 42.46 36.86 1i50 s ILE 1279CO 0.00 -1.11 0.00 -0.62 -0.10 0.00 0.00 174.94 173.11 1i50 n GLU 1280N 8.25 0.00 -1.09 2.79 1.02 -0.64 -0.38 120.64 130.59 1i50 n GLU 1280Ca 0.12 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 1i50 n GLU 1280Cb 0.49 -0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.02 1i50 n GLU 1280CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1i50 s ARG 1281N 0.00 1.75 -0.28 3.49 0.52 -1.25 -4.30 118.95 118.87 1i50 s ARG 1281Ca 0.00 1.22 -0.06 0.00 -0.52 0.00 0.00 55.73 56.37 1i50 s ARG 1281Cb 0.00 -1.83 0.15 0.00 0.52 0.00 0.00 34.95 33.78 1i50 s ARG 1281CO 0.00 -2.02 0.59 0.08 0.02 0.00 0.00 175.30 173.97 1i50 s VAL 1282N -2.83 -0.93 0.15 3.52 1.01 -1.26 -2.40 120.40 117.66 1i50 s VAL 1282Ca 0.63 0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.73 1i50 s VAL 1282Cb -0.19 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1i50 s VAL 1282CO 0.57 -0.00 -0.26 -0.69 0.00 0.00 0.00 175.10 174.72 1i50 s VAL 1283N 2.83 2.27 -0.07 2.92 1.01 0.21 -4.85 120.40 124.71 1i50 s VAL 1283Ca 0.05 -1.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.11 1i50 s VAL 1283Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1i50 s VAL 1283CO -0.19 0.01 0.19 -0.04 0.00 0.00 0.00 175.10 175.07 1i50 s MET 1284N -2.28 3.50 0.15 2.72 -1.94 -1.26 -0.93 119.30 119.25 1i50 s MET 1284Ca 0.16 -0.11 -0.05 0.00 -1.71 0.00 0.00 55.69 53.98 1i50 s MET 1284Cb -0.09 -3.16 -0.02 0.00 2.01 0.00 0.00 34.83 33.56 1i50 s MET 1284CO 0.07 0.74 0.17 -1.64 -0.01 0.00 0.00 175.02 174.35 1i50 s MET 1285N -1.29 1.04 -0.26 2.03 -1.94 -0.78 -4.98 119.30 113.11 1i50 s MET 1285Ca 0.20 -1.30 0.01 0.00 -1.71 0.00 0.00 55.69 52.89 1i50 s MET 1285Cb -0.13 0.31 0.07 0.00 2.01 0.00 0.00 34.83 37.10 1i50 s MET 1285CO 0.09 -0.34 -0.03 0.21 -0.01 0.00 0.00 175.02 174.94 1i50 s LYS 1286N -4.00 1.56 0.07 2.03 2.20 -1.26 -1.68 119.74 118.65 1i50 s LYS 1286Ca 0.20 -1.18 -0.09 0.00 -0.36 0.00 0.00 55.97 54.54 1i50 s LYS 1286Cb 0.05 -2.65 -0.06 0.00 -1.51 0.00 0.00 37.83 33.66 1i50 s LYS 1286CO 0.01 -0.69 0.38 0.71 -0.36 0.00 0.00 175.35 175.39 1i50 s TYR 1287N 1.31 3.58 0.32 4.03 4.12 -0.98 -4.89 117.35 124.83 1i50 s TYR 1287Ca -0.02 0.74 -0.15 0.00 0.02 0.00 0.00 57.07 57.67 1i50 s TYR 1287Cb -0.19 -2.12 -0.09 0.00 -1.52 0.00 0.00 41.96 38.04 1i50 s TYR 1287CO -0.08 0.53 0.73 -0.51 0.02 0.00 0.00 175.55 176.24 1i50 s ASP 1288N -1.79 6.77 -0.06 2.29 1.01 -1.26 -1.64 116.67 121.98 1i50 s ASP 1288Ca 0.33 1.27 -0.03 0.00 0.71 0.00 0.00 52.55 54.83 1i50 s ASP 1288Cb -0.14 -2.37 0.04 0.00 1.01 0.00 0.00 42.92 41.46 1i50 s ASP 1288CO 0.18 -0.21 0.10 -0.60 0.21 0.00 0.00 175.17 174.86 1i50 s ARG 1289N -3.00 -0.03 -0.17 8.23 3.52 -1.20 -4.92 118.95 121.37 1i50 s ARG 1289Ca 0.54 0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 56.30 1i50 s ARG 1289Cb -0.10 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.85 1i50 s ARG 1289CO 0.18 -0.32 1.53 0.15 -0.81 0.00 0.00 175.30 176.03 1i50 s LYS 1290N 2.20 4.00 0.06 5.12 -0.14 -1.26 -0.62 119.74 129.10 1i50 s LYS 1290Ca 0.04 1.77 0.03 0.00 -1.36 0.00 0.00 55.97 56.45 1i50 s LYS 1290Cb -0.12 -3.96 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 1i50 s LYS 1290CO -0.04 -1.04 -0.09 0.08 -0.76 0.00 0.00 175.35 173.50 1i50 s VAL 1291N 4.48 0.70 0.10 3.17 1.01 0.11 -4.83 120.40 125.15 1i50 s VAL 1291Ca 0.67 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1i50 s VAL 1291Cb -0.26 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1i50 s VAL 1291CO 0.26 -0.44 1.17 -2.84 0.00 0.00 0.00 175.10 173.25 1i50 s PRO 1292N -2.03 4.48 0.69 2.72 0.02 -1.26 0.20 135.00 139.82 1i50 s PRO 1292Ca -0.04 1.76 -0.06 0.00 0.02 0.00 0.00 61.00 62.68 1i50 s PRO 1292Cb -0.07 -3.32 0.06 0.00 0.02 0.00 0.00 34.50 31.18 1i50 s PRO 1292CO 0.00 -0.16 0.99 -1.54 -0.33 0.00 0.00 177.00 175.96 1i50 s SER 1293N 0.69 4.89 0.53 2.53 1.04 -0.34 -4.88 113.70 118.16 1i50 s SER 1293Ca 0.56 0.43 0.18 0.00 0.48 0.00 0.00 55.95 57.60 1i50 s SER 1293Cb -0.30 -1.11 1.34 0.00 0.10 0.00 0.00 66.02 66.05 1i50 s SER 1293CO 0.31 -1.54 2.15 1.55 0.98 0.00 0.00 173.24 176.70 1i50 h PRO 1294N -0.53 0.00 0.00 4.02 0.13 -1.95 -0.50 132.00 133.17 1i50 h PRO 1294Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1i50 h PRO 1294Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1i50 h PRO 1294CO 0.60 0.00 -0.03 2.41 -0.23 0.00 0.00 178.00 180.75 1i50 n THR 1295N -4.45 0.17 0.00 1.56 -1.04 -1.26 -4.96 114.28 104.30 1i50 n THR 1295Ca -0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1i50 n THR 1295Cb 0.12 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 1i50 n THR 1295CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i50 n GLY 1296N 1.44 2.56 3.78 3.41 0.00 -0.20 -1.77 105.19 114.41 1i50 n GLY 1296Ca 0.06 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1i50 n GLY 1296CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i50 s GLU 1297N 0.00 3.77 0.29 1.61 4.04 -1.24 -4.41 118.70 122.75 1i50 s GLU 1297Ca 0.00 1.58 -0.29 0.00 0.04 0.00 0.00 54.97 56.30 1i50 s GLU 1297Cb 0.00 -2.27 -0.10 0.00 0.02 0.00 0.00 34.13 31.79 1i50 s GLU 1297CO 0.00 -0.50 1.19 0.71 -1.84 0.00 0.00 175.26 174.82 1i50 s TYR 1298N -1.73 3.37 0.08 4.83 1.51 -1.26 -1.19 117.35 122.96 1i50 s TYR 1298Ca 0.65 1.57 0.02 0.00 -1.01 0.00 0.00 57.07 58.30 1i50 s TYR 1298Cb -0.23 -3.44 -0.04 0.00 -0.11 0.00 0.00 41.96 38.14 1i50 s TYR 1298CO 0.28 -1.10 -0.07 0.08 -1.11 0.00 0.00 175.55 173.62 1i50 s VAL 1299N -1.04 0.68 -0.02 0.71 1.01 0.13 -4.88 120.40 116.98 1i50 s VAL 1299Ca 0.47 -1.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 1i50 s VAL 1299Cb -0.35 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1i50 s VAL 1299CO 0.45 -0.68 0.70 -0.54 0.00 0.00 0.00 175.10 175.03 1i50 s LYS 1300N -3.01 4.43 -0.36 2.72 1.02 -1.26 0.05 119.74 123.33 1i50 s LYS 1300Ca 0.04 0.91 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1i50 s LYS 1300Cb -0.00 -3.41 0.12 0.00 -0.52 0.00 0.00 37.83 34.02 1i50 s LYS 1300CO -0.03 0.18 0.16 -1.21 -0.92 0.00 0.00 175.35 173.53 1i50 s GLU 1301N 0.39 0.87 0.47 1.68 2.02 0.21 -4.87 118.70 119.47 1i50 s GLU 1301Ca 0.37 -1.39 -0.25 0.00 0.02 0.00 0.00 54.97 53.72 1i50 s GLU 1301Cb -0.19 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 1i50 s GLU 1301CO 0.19 -1.07 1.43 -1.25 0.02 0.00 0.00 175.26 174.59 1i50 s PRO 1302N 1.16 3.60 -0.00 0.39 0.04 -1.26 -3.27 135.00 135.65 1i50 s PRO 1302Ca 0.13 2.43 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 1i50 s PRO 1302Cb -0.20 -2.60 -0.00 0.00 0.04 0.00 0.00 34.50 31.73 1i50 s PRO 1302CO -0.14 -0.89 0.03 -1.83 0.04 0.00 0.00 177.00 174.20 1i50 s GLU 1303N -2.52 0.19 0.11 4.56 -1.05 -0.65 -4.72 118.70 114.62 1i50 s GLU 1303Ca 0.63 -0.22 -0.30 0.00 -0.15 0.00 0.00 54.97 54.92 1i50 s GLU 1303Cb -0.44 0.08 -0.06 0.00 -0.44 0.00 0.00 34.13 33.27 1i50 s GLU 1303CO 0.56 -0.03 0.99 -1.58 0.95 0.00 0.00 175.26 176.14 1i50 s TRP 1304N -0.65 3.77 0.05 4.83 0.52 -0.66 -2.32 118.94 124.48 1i50 s TRP 1304Ca -0.07 1.76 0.04 0.00 0.02 0.00 0.00 56.10 57.85 1i50 s TRP 1304Cb -0.04 -3.10 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1i50 s TRP 1304CO -0.00 0.06 -0.12 0.08 0.02 0.00 0.00 176.95 176.98 1i50 s VAL 1305N 0.04 0.96 -0.19 4.03 1.01 -0.68 -4.30 120.40 121.27 1i50 s VAL 1305Ca 0.48 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1i50 s VAL 1305Cb -0.24 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1i50 s VAL 1305CO 0.30 -0.18 0.01 -0.76 0.00 0.00 0.00 175.10 174.48 1i50 s LEU 1306N -1.47 3.39 -0.13 3.92 1.43 -0.51 -1.87 118.68 123.44 1i50 s LEU 1306Ca -0.02 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1i50 s LEU 1306Cb -0.09 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1i50 s LEU 1306CO 0.01 0.10 -0.06 -1.61 0.23 0.00 0.00 176.35 175.03 1i50 s GLU 1307N 0.76 3.42 0.39 1.70 2.02 -0.11 -1.15 118.70 125.73 1i50 s GLU 1307Ca 0.01 -0.56 0.08 0.00 0.02 0.00 0.00 54.97 54.52 1i50 s GLU 1307Cb -0.14 -2.79 -0.06 0.00 0.10 0.00 0.00 34.13 31.24 1i50 s GLU 1307CO 0.02 0.33 0.07 0.95 0.02 0.00 0.00 175.26 176.65 1i50 s THR 1308N 0.11 2.25 -0.45 3.63 -4.23 -0.61 -0.62 115.64 115.71 1i50 s THR 1308Ca -0.02 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1i50 s THR 1308Cb -0.14 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 70.88 1i50 s THR 1308CO 0.03 -0.05 0.19 -1.81 -0.54 0.00 0.00 174.62 172.44 1i50 s ASP 1309N -3.78 4.42 0.00 3.99 1.11 -1.01 -3.83 116.67 117.57 1i50 s ASP 1309Ca 0.37 -2.69 0.00 0.00 0.18 0.00 0.00 52.55 50.42 1i50 s ASP 1309Cb 0.05 -1.58 0.00 0.00 1.07 0.00 0.00 42.92 42.46 1i50 s ASP 1309CO 0.20 -0.29 0.00 0.61 1.18 0.00 0.00 175.17 176.87 1i50 n GLY 1310N 3.54 3.74 2.86 0.21 0.00 0.63 -1.63 105.19 114.55 1i50 n GLY 1310Ca 0.05 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 1i50 n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 1311N -2.57 0.18 -0.49 1.61 1.01 -1.26 -4.25 120.40 114.64 1i50 s VAL 1311Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1i50 s VAL 1311Cb 0.00 -0.22 0.22 0.00 0.00 0.00 0.00 36.38 36.38 1i50 s VAL 1311CO 0.00 0.10 0.77 -3.20 0.00 0.00 0.00 175.10 172.77 1i50 n ASN 1312N 3.59 -2.71 0.17 3.32 2.85 -1.26 -4.81 115.26 116.41 1i50 n ASN 1312Ca -0.20 -3.07 -0.14 0.00 -0.11 0.00 0.00 54.58 51.06 1i50 n ASN 1312Cb 0.54 1.47 -0.07 0.00 1.24 0.00 0.00 39.78 42.97 1i50 n ASN 1312CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1i50 h LEU 1313N 4.44 -0.63 -0.60 1.20 5.85 -1.96 -1.96 115.31 121.65 1i50 h LEU 1313Ca -0.04 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1i50 h LEU 1313Cb 1.04 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 1i50 h LEU 1313CO 0.23 -0.35 0.19 0.77 -0.34 0.00 0.00 178.44 178.94 1i50 h SER 1314N -0.52 0.14 -0.03 1.25 4.64 -1.97 0.32 113.55 117.38 1i50 h SER 1314Ca -0.01 0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.21 1i50 h SER 1314Cb 0.47 0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1i50 h SER 1314CO -0.04 0.09 -0.72 -0.33 -0.87 0.00 0.00 176.83 174.96 1i50 h GLU 1315N 0.35 0.54 -0.30 4.77 5.08 -1.99 -3.27 114.58 119.75 1i50 h GLU 1315Ca 0.31 -0.54 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 1i50 h GLU 1315Cb 0.41 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1i50 h GLU 1315CO -0.34 1.17 -0.34 0.28 -1.00 0.00 0.00 179.01 178.77 1i50 h VAL 1316N 0.12 1.29 -0.76 3.13 2.07 -1.25 -2.88 116.25 117.96 1i50 h VAL 1316Ca -0.08 -1.49 0.22 0.00 0.82 0.00 0.00 66.70 66.17 1i50 h VAL 1316Cb 1.39 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1i50 h VAL 1316CO 0.14 0.48 0.57 -0.03 0.02 0.00 0.00 177.57 178.75 1i50 h MET 1317N 0.57 0.00 -0.00 1.57 1.85 -1.01 0.46 114.93 118.37 1i50 h MET 1317Ca 0.06 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1i50 h MET 1317Cb 0.86 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.89 1i50 h MET 1317CO 0.07 0.00 -0.30 -2.37 -0.40 0.00 0.00 176.91 173.92 1i50 n THR 1318N -4.22 0.00 -2.07 -0.77 5.66 -1.09 -4.62 114.28 107.18 1i50 n THR 1318Ca 0.15 -0.08 -0.41 0.00 -3.05 0.00 0.00 64.05 60.66 1i50 n THR 1318Cb 0.85 0.27 -0.02 0.00 -1.55 0.00 0.00 70.33 69.88 1i50 n THR 1318CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1i50 s VAL 1319N -2.65 2.77 0.58 1.08 1.01 0.15 -4.98 120.40 118.36 1i50 s VAL 1319Ca 0.21 0.66 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 1i50 s VAL 1319Cb 0.19 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1i50 s VAL 1319CO 0.56 0.11 1.13 -2.16 0.00 0.00 0.00 175.10 174.75 1i50 s PRO 1320N -0.57 3.15 0.00 2.72 0.04 -1.26 -3.65 135.00 135.43 1i50 s PRO 1320Ca 0.57 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1i50 s PRO 1320Cb -0.41 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1i50 s PRO 1320CO 0.44 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1i50 n GLY 1321N 0.02 0.61 3.95 0.56 0.00 -1.26 -4.97 105.19 104.11 1i50 n GLY 1321Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1i50 n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i50 s ILE 1322N -2.19 1.73 -0.70 -0.61 -4.36 -1.24 -2.31 121.20 111.52 1i50 s ILE 1322Ca 0.00 -1.33 -0.05 0.00 -0.26 0.00 0.00 60.65 59.01 1i50 s ILE 1322Cb 0.00 -2.06 0.18 0.00 1.25 0.00 0.00 42.46 41.83 1i50 s ILE 1322CO 0.00 0.00 0.55 -0.62 0.24 0.00 0.00 174.94 175.11 1i50 s ASP 1323N -4.44 5.64 0.61 4.36 -1.08 -0.18 -3.77 116.67 117.81 1i50 s ASP 1323Ca 0.43 -2.94 0.37 0.00 -0.52 0.00 0.00 52.55 49.89 1i50 s ASP 1323Cb -0.03 -1.94 2.02 0.00 -1.46 0.00 0.00 42.92 41.51 1i50 s ASP 1323CO 0.27 -0.39 2.13 1.55 0.52 0.00 0.00 175.17 179.26 1i50 h PRO 1324N 7.05 0.00 0.00 4.34 0.13 -1.85 -0.99 132.00 140.68 1i50 h PRO 1324Ca 0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 1i50 h PRO 1324Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1i50 h PRO 1324CO 0.74 0.00 -0.32 1.15 -0.23 0.00 0.00 178.00 179.34 1i50 h THR 1325N 0.00 0.91 -0.02 1.56 2.02 -1.94 -3.28 112.91 112.16 1i50 h THR 1325Ca 0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1i50 h THR 1325Cb 0.20 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1i50 h THR 1325CO 0.00 0.31 0.00 0.54 0.37 0.00 0.00 175.52 176.74 1i50 n ARG 1326N -3.71 -0.12 -1.65 6.66 1.74 -0.39 -5.04 116.66 114.14 1i50 n ARG 1326Ca -0.01 -0.84 -0.38 0.00 -0.77 0.00 0.00 57.85 55.86 1i50 n ARG 1326Cb 0.42 -1.08 0.06 0.00 -1.02 0.00 0.00 32.46 30.83 1i50 n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1i50 n ILE 1327N 0.21 4.07 -3.96 0.55 3.06 -1.13 -4.72 119.36 117.43 1i50 n ILE 1327Ca 0.03 -0.50 -0.10 0.00 -2.50 0.00 0.00 62.75 59.68 1i50 n ILE 1327Cb 0.13 -1.28 -0.07 0.00 0.54 0.00 0.00 39.64 38.96 1i50 n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 1i50 s TYR 1328N -1.46 0.41 -0.24 9.51 5.04 -0.32 -5.00 117.35 125.28 1i50 s TYR 1328Ca 0.77 -0.76 -0.26 0.00 -2.44 0.00 0.00 57.07 54.38 1i50 s TYR 1328Cb -0.41 -0.04 0.07 0.00 0.35 0.00 0.00 41.96 41.94 1i50 s TYR 1328CO 0.45 -0.75 0.74 -0.08 -1.34 0.00 0.00 175.55 174.57 1i50 s THR 1329N -3.98 0.00 -2.00 4.34 -1.32 -1.26 -0.13 115.64 111.29 1i50 s THR 1329Ca 0.18 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.86 1i50 s THR 1329Cb 0.03 -1.00 0.56 0.00 -1.51 0.00 0.00 72.50 70.58 1i50 s THR 1329CO 0.01 0.00 1.59 -0.46 -2.21 0.00 0.00 174.62 173.55 1i50 n ASN 1330N 2.42 0.00 -4.43 8.08 0.23 -1.18 -4.26 115.26 116.13 1i50 n ASN 1330Ca -0.15 -0.79 -0.44 0.00 -0.53 0.00 0.00 54.58 52.67 1i50 n ASN 1330Cb 0.55 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.25 1i50 n ASN 1330CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1i50 s SER 1331N -1.91 7.14 0.30 0.53 0.15 -1.26 -4.83 113.70 113.82 1i50 s SER 1331Ca 0.30 -3.16 0.15 0.00 0.70 0.00 0.00 55.95 53.93 1i50 s SER 1331Cb 0.14 -2.34 0.80 0.00 -1.71 0.00 0.00 66.02 62.90 1i50 s SER 1331CO 0.23 -0.61 1.37 2.22 1.20 0.00 0.00 173.24 177.65 1i50 n PHE 1332N 4.78 0.50 0.00 3.44 1.16 -1.26 -0.81 117.46 125.26 1i50 n PHE 1332Ca 0.33 0.26 -0.15 0.00 -1.87 0.00 0.00 57.45 56.02 1i50 n PHE 1332Cb 0.42 -0.77 -0.04 0.00 -1.61 0.00 0.00 39.48 37.48 1i50 n PHE 1332CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1i50 h ILE 1333N 0.00 1.31 -0.15 1.97 2.04 -1.94 -1.99 117.51 118.75 1i50 h ILE 1333Ca 0.00 -2.02 -0.22 0.00 1.00 0.00 0.00 64.86 63.63 1i50 h ILE 1333Cb 0.41 2.01 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1i50 h ILE 1333CO 0.00 0.63 -0.76 0.44 0.00 0.00 0.00 178.15 178.45 1i50 h ASP 1334N 0.46 0.88 -0.59 1.72 3.32 -1.39 -2.45 116.42 118.37 1i50 h ASP 1334Ca -0.04 -0.57 0.06 0.00 0.02 0.00 0.00 57.03 56.49 1i50 h ASP 1334Cb 1.37 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 1i50 h ASP 1334CO 0.15 1.36 0.31 0.40 -1.72 0.00 0.00 179.24 179.74 1i50 h ILE 1335N 0.51 0.94 0.11 0.35 2.04 -1.49 -0.09 117.51 119.88 1i50 h ILE 1335Ca -0.05 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1i50 h ILE 1335Cb 1.39 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1i50 h ILE 1335CO 0.15 0.11 -0.10 -0.03 0.00 0.00 0.00 178.15 178.28 1i50 h MET 1336N 0.58 -0.22 0.00 2.37 4.05 -1.26 0.56 114.93 121.01 1i50 h MET 1336Ca 0.27 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.68 1i50 h MET 1336Cb 0.18 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1i50 h MET 1336CO -0.18 -0.15 -0.09 0.93 0.23 0.00 0.00 176.91 177.65 1i50 h GLU 1337N -0.23 0.00 0.01 0.39 5.08 -0.89 0.27 114.58 119.21 1i50 h GLU 1337Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 1i50 h GLU 1337Cb 0.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 1i50 h GLU 1337CO -0.02 0.09 -2.43 0.28 -1.00 0.00 0.00 179.01 175.93 1i50 n VAL 1338N -3.94 1.52 1.00 3.13 0.31 -0.11 -4.68 118.33 115.57 1i50 n VAL 1338Ca -0.02 -0.49 0.10 0.00 -0.01 0.00 0.00 64.34 63.92 1i50 n VAL 1338Cb 0.18 -1.63 -0.06 0.00 -0.91 0.00 0.00 33.84 31.41 1i50 n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1i50 n LEU 1339N -3.68 0.94 0.00 7.52 4.77 0.19 -5.09 117.00 121.66 1i50 n LEU 1339Ca -0.48 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1i50 n LEU 1339Cb 0.95 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1i50 n LEU 1339CO 0.18 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1i50 n GLY 1340N 1.50 1.69 0.28 -0.72 0.00 0.94 -4.50 105.19 104.37 1i50 n GLY 1340Ca 0.04 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 1i50 n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i50 h ILE 1341N 0.00 1.26 -0.81 -0.61 2.10 -1.87 0.64 117.51 118.22 1i50 h ILE 1341Ca 0.00 -1.23 0.01 0.00 1.08 0.00 0.00 64.86 64.72 1i50 h ILE 1341Cb 0.00 1.02 -0.04 0.00 -1.09 0.00 0.00 36.82 36.71 1i50 h ILE 1341CO 0.00 0.42 0.54 -0.33 -1.08 0.00 0.00 178.15 177.70 1i50 h GLU 1342N 0.79 1.07 -0.03 2.19 4.39 -1.95 0.71 114.58 121.75 1i50 h GLU 1342Ca 0.13 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 1i50 h GLU 1342Cb 0.64 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1i50 h GLU 1342CO 0.04 0.71 -0.83 0.00 -1.16 0.00 0.00 179.01 177.77 1i50 h ALA 1343N 1.49 0.51 -0.40 3.43 0.00 -1.74 -2.40 119.26 120.15 1i50 h ALA 1343Ca 0.30 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1i50 h ALA 1343Cb -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1i50 h ALA 1343CO -0.06 0.82 0.26 0.78 0.00 0.00 0.00 179.25 181.05 1i50 h GLY 1344N 1.42 0.56 0.65 0.00 0.00 0.86 -1.92 103.07 104.65 1i50 h GLY 1344Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1i50 h GLY 1344CO 0.14 0.20 -0.31 -0.09 0.00 0.00 0.00 176.54 176.48 1i50 h ARG 1345N 0.54 -0.61 -0.86 4.80 2.43 0.50 -0.80 114.38 120.37 1i50 h ARG 1345Ca 0.15 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.55 1i50 h ARG 1345Cb -0.05 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 29.52 1i50 h ARG 1345CO -0.04 -0.41 0.39 0.00 -1.51 0.00 0.00 179.97 178.40 1i50 h ALA 1346N -0.08 1.33 -0.16 2.80 0.00 -1.21 -0.70 119.26 121.24 1i50 h ALA 1346Ca -0.01 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1i50 h ALA 1346Cb 0.59 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1i50 h ALA 1346CO -0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 179.25 178.86 1i50 h ALA 1347N 1.64 0.23 -0.68 0.00 0.00 -1.02 -1.68 119.26 117.75 1i50 h ALA 1347Ca 0.51 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1i50 h ALA 1347Cb 0.88 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1i50 h ALA 1347CO -0.47 0.02 0.45 1.25 0.00 0.00 0.00 179.25 180.51 1i50 h LEU 1348N 0.02 0.50 -0.20 0.00 5.85 -0.05 0.83 115.31 122.26 1i50 h LEU 1348Ca 0.04 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1i50 h LEU 1348Cb 0.53 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1i50 h LEU 1348CO 0.02 0.30 -0.46 0.22 -0.34 0.00 0.00 178.44 178.19 1i50 h TYR 1349N 0.56 0.84 -0.88 1.25 3.20 -0.93 -1.76 116.97 119.25 1i50 h TYR 1349Ca 0.31 -0.32 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1i50 h TYR 1349Cb 0.48 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 1i50 h TYR 1349CO -0.00 1.09 0.58 -0.22 -1.64 0.00 0.00 178.16 177.98 1i50 h LYS 1350N 0.35 1.14 0.25 1.82 3.64 -0.20 0.10 116.57 123.67 1i50 h LYS 1350Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1i50 h LYS 1350Cb 1.07 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1i50 h LYS 1350CO 0.10 0.75 -0.12 0.93 -2.27 0.00 0.00 179.45 178.84 1i50 h GLU 1351N 1.17 -0.33 -0.36 1.90 4.39 -0.81 -1.45 114.58 119.10 1i50 h GLU 1351Ca 0.33 0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.10 1i50 h GLU 1351Cb -0.10 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1i50 h GLU 1351CO -0.08 0.01 0.07 0.28 -1.16 0.00 0.00 179.01 178.14 1i50 h VAL 1352N -0.73 0.82 -0.99 3.13 2.07 -1.19 -1.69 116.25 117.67 1i50 h VAL 1352Ca -0.03 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1i50 h VAL 1352Cb 0.49 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1i50 h VAL 1352CO 0.06 0.04 0.63 0.22 0.02 0.00 0.00 177.57 178.53 1i50 h TYR 1353N 0.19 1.14 -0.47 1.57 3.20 -0.79 -1.87 116.97 119.95 1i50 h TYR 1353Ca 0.17 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 1i50 h TYR 1353Cb 0.19 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1i50 h TYR 1353CO -0.19 0.51 -0.17 -0.91 -1.64 0.00 0.00 178.16 175.76 1i50 h ASN 1354N 1.04 0.91 0.05 -2.11 2.35 -0.38 -1.24 115.58 116.20 1i50 h ASN 1354Ca 0.46 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1i50 h ASN 1354Cb 0.37 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1i50 h ASN 1354CO -0.22 1.07 -0.01 0.58 -1.65 0.00 0.00 177.43 177.20 1i50 h VAL 1355N 0.80 0.32 0.00 2.81 2.07 -0.66 -0.12 116.25 121.47 1i50 h VAL 1355Ca 0.12 -0.05 -0.18 0.00 0.82 0.00 0.00 66.70 67.40 1i50 h VAL 1355Cb 0.71 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1i50 h VAL 1355CO 0.05 0.01 -1.87 -0.38 0.02 0.00 0.00 177.57 175.41 1i50 n ILE 1356N -3.53 0.91 0.17 4.57 5.41 -0.90 -4.12 119.36 121.88 1i50 n ILE 1356Ca -0.03 -0.69 0.09 0.00 1.00 0.00 0.00 62.75 63.12 1i50 n ILE 1356Cb 0.09 -0.44 0.09 0.00 -0.71 0.00 0.00 39.64 38.67 1i50 n ILE 1356CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i50 h ALA 1357N 1.46 0.82 0.00 -1.39 0.00 -0.54 -2.94 119.26 116.68 1i50 h ALA 1357Ca -0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1i50 h ALA 1357Cb 1.62 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1i50 h ALA 1357CO 0.03 0.22 -0.00 0.66 0.00 0.00 0.00 179.25 180.15 1i50 h SER 1358N 0.00 0.00 -0.56 0.00 4.64 -1.20 0.30 113.55 116.73 1i50 h SER 1358Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1i50 h SER 1358Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1i50 h SER 1358CO 0.02 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.45 1i50 n ASP 1359N -3.98 3.90 0.00 4.97 8.00 -1.24 -4.93 116.55 123.26 1i50 n ASP 1359Ca -0.03 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.26 1i50 n ASP 1359Cb 0.09 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1i50 n ASP 1359CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i50 n GLY 1360N 0.99 2.01 3.70 0.44 0.00 0.09 -4.99 105.19 107.44 1i50 n GLY 1360Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1i50 n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i50 s SER 1361N -3.41 3.38 0.00 1.61 0.01 -1.11 -4.96 113.70 109.23 1i50 s SER 1361Ca 0.00 2.13 0.02 0.00 1.31 0.00 0.00 55.95 59.41 1i50 s SER 1361Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 1i50 s SER 1361CO 0.00 -2.80 -0.06 -0.47 0.41 0.00 0.00 173.24 170.32 1i50 s TYR 1362N -2.64 0.55 -0.02 2.43 5.04 -1.26 -4.23 117.35 117.21 1i50 s TYR 1362Ca 0.66 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1i50 s TYR 1362Cb -0.22 -0.34 0.03 0.00 0.35 0.00 0.00 41.96 41.77 1i50 s TYR 1362CO 0.56 -0.02 0.03 0.08 -1.34 0.00 0.00 175.55 174.86 1i50 s VAL 1363N -0.37 -0.05 0.28 3.14 1.01 -1.26 -4.68 120.40 118.48 1i50 s VAL 1363Ca -0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1i50 s VAL 1363Cb -0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 36.38 36.13 1i50 s VAL 1363CO -0.00 0.09 1.40 -3.20 0.00 0.00 0.00 175.10 173.39 1i50 n ASN 1364N 4.11 2.94 -0.35 3.32 5.15 -0.18 -4.87 115.26 125.39 1i50 n ASN 1364Ca -0.27 1.17 0.03 0.00 -0.60 0.00 0.00 54.58 54.91 1i50 n ASN 1364Cb 0.51 -1.47 0.10 0.00 -0.53 0.00 0.00 39.78 38.38 1i50 n ASN 1364CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i50 n TYR 1365N 1.42 0.22 -0.19 1.20 9.36 -1.26 -2.00 117.16 125.91 1i50 n TYR 1365Ca 0.09 1.15 0.18 0.00 3.32 0.00 0.00 57.90 62.64 1i50 n TYR 1365Cb 0.34 -0.97 0.53 0.00 -0.63 0.00 0.00 39.34 38.61 1i50 n TYR 1365CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1i50 h ARG 1366N 0.00 0.35 -0.11 2.98 0.11 -1.90 -0.47 114.38 115.34 1i50 h ARG 1366Ca 0.40 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.45 1i50 h ARG 1366Cb 0.64 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.64 1i50 h ARG 1366CO -0.96 0.23 0.02 0.45 0.10 0.00 0.00 179.97 179.81 1i50 h HIS 1367N 0.36 0.19 -0.18 4.08 3.86 -1.77 0.17 115.15 121.86 1i50 h HIS 1367Ca 0.41 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.46 1i50 h HIS 1367Cb 1.04 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 1i50 h HIS 1367CO -0.00 0.38 -0.43 0.52 0.86 0.00 0.00 177.93 179.26 1i50 h MET 1368N -0.06 0.43 -0.18 2.45 2.86 -1.59 -2.76 114.93 116.09 1i50 h MET 1368Ca 0.03 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1i50 h MET 1368Cb 0.29 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1i50 h MET 1368CO 0.00 0.78 0.08 0.00 1.06 0.00 0.00 176.91 178.83 1i50 h ALA 1369N 1.19 0.23 -0.60 6.32 0.00 -0.84 -0.35 119.26 125.22 1i50 h ALA 1369Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1i50 h ALA 1369Cb 0.90 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1i50 h ALA 1369CO 0.08 -0.19 0.32 1.25 0.00 0.00 0.00 179.25 180.71 1i50 h LEU 1370N 0.14 0.48 -0.12 0.00 5.85 -0.55 0.66 115.31 121.77 1i50 h LEU 1370Ca 0.06 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1i50 h LEU 1370Cb 0.16 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1i50 h LEU 1370CO -0.01 0.32 -0.03 0.25 -0.34 0.00 0.00 178.44 178.64 1i50 h LEU 1371N 0.61 -0.10 -1.56 2.25 5.85 -1.20 -1.76 115.31 119.39 1i50 h LEU 1371Ca 0.26 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1i50 h LEU 1371Cb 0.15 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1i50 h LEU 1371CO -0.17 -0.04 -0.03 0.58 -0.34 0.00 0.00 178.44 178.45 1i50 h VAL 1372N 0.00 1.13 -0.16 1.05 2.07 -0.31 -2.21 116.25 117.82 1i50 h VAL 1372Ca 0.06 -0.51 -0.21 0.00 0.82 0.00 0.00 66.70 66.86 1i50 h VAL 1372Cb 0.08 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1i50 h VAL 1372CO -0.12 0.17 -0.73 0.44 0.02 0.00 0.00 177.57 177.35 1i50 h ASP 1373N 0.24 0.84 -0.65 0.57 3.32 -0.35 -2.93 116.42 117.45 1i50 h ASP 1373Ca 0.06 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1i50 h ASP 1373Cb 0.21 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1i50 h ASP 1373CO 0.01 1.32 0.28 0.58 -1.72 0.00 0.00 179.24 179.71 1i50 h VAL 1374N 0.50 1.23 0.00 -1.35 2.07 -1.05 0.20 116.25 117.85 1i50 h VAL 1374Ca -0.04 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1i50 h VAL 1374Cb 1.34 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1i50 h VAL 1374CO 0.15 0.28 0.00 0.23 0.02 0.00 0.00 177.57 178.25 1i50 n MET 1375N -4.44 0.12 -0.01 1.57 2.81 -0.86 -3.50 117.12 112.82 1i50 n MET 1375Ca 0.05 0.40 0.03 0.00 -1.81 0.00 0.00 57.70 56.36 1i50 n MET 1375Cb 0.15 -1.74 -0.06 0.00 -0.71 0.00 0.00 33.22 30.87 1i50 n MET 1375CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1i50 n THR 1376N -1.96 0.04 -0.35 2.03 -1.04 -0.66 -0.63 114.28 111.72 1i50 n THR 1376Ca 0.02 -0.18 0.28 0.00 -2.04 0.00 0.00 64.05 62.13 1i50 n THR 1376Cb 0.17 0.22 0.53 0.00 -1.82 0.00 0.00 70.33 69.44 1i50 n THR 1376CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1i50 h THR 1377N 0.00 0.20 -0.28 12.58 2.02 -0.67 -1.88 112.91 124.88 1i50 h THR 1377Ca -0.02 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1i50 h THR 1377Cb 0.44 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1i50 h THR 1377CO 0.00 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.93 1i50 n GLN 1378N -5.04 2.93 0.00 6.66 6.02 -1.26 -4.89 117.38 121.80 1i50 n GLN 1378Ca 0.34 -1.55 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1i50 n GLN 1378Cb 1.13 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 30.51 1i50 n GLN 1378CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i50 n GLY 1379N 0.31 2.86 3.51 1.08 0.00 -0.71 -5.00 105.19 107.25 1i50 n GLY 1379Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1i50 n GLY 1379CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i50 s GLY 1380N -2.03 2.48 -0.77 -0.02 0.00 -1.26 -4.79 107.32 100.93 1i50 s GLY 1380Ca 0.00 -1.41 -0.23 0.00 0.00 0.00 0.00 44.72 43.09 1i50 s GLY 1380CO 0.00 -1.85 1.11 1.08 0.00 0.00 0.00 173.10 173.44 1i50 s LEU 1381N -3.59 4.18 -0.35 0.66 1.43 -1.26 -4.22 118.68 115.53 1i50 s LEU 1381Ca 0.26 -1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 52.01 1i50 s LEU 1381Cb 0.04 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1i50 s LEU 1381CO 0.14 -1.45 0.61 -0.89 0.23 0.00 0.00 176.35 174.98 1i50 s THR 1382N 4.21 4.92 1.10 5.49 2.01 0.19 -5.01 115.64 128.56 1i50 s THR 1382Ca 0.29 0.54 -0.12 0.00 0.31 0.00 0.00 61.69 62.72 1i50 s THR 1382Cb -0.11 -4.05 0.25 0.00 0.01 0.00 0.00 72.50 68.61 1i50 s THR 1382CO 0.05 -0.28 1.06 -0.55 -0.69 0.00 0.00 174.62 174.20 1i50 s SER 1383N 1.77 1.46 -0.05 3.53 0.15 -1.26 -4.57 113.70 114.74 1i50 s SER 1383Ca 0.23 1.65 0.05 0.00 0.70 0.00 0.00 55.95 58.58 1i50 s SER 1383Cb -0.15 -2.35 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 1i50 s SER 1383CO 0.14 -3.92 0.04 0.52 1.20 0.00 0.00 173.24 171.22 1i50 n VAL 1384N -4.74 0.32 -0.37 4.45 0.31 -0.17 -4.80 118.33 113.33 1i50 n VAL 1384Ca 0.05 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.05 1i50 n VAL 1384Cb 0.54 -0.64 -0.01 0.00 -0.91 0.00 0.00 33.84 32.82 1i50 n VAL 1384CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1i50 n THR 1385N -2.12 1.21 -2.79 2.52 -1.04 -1.19 -4.57 114.28 106.30 1i50 n THR 1385Ca -0.08 -0.71 -0.02 0.00 -2.04 0.00 0.00 64.05 61.20 1i50 n THR 1385Cb 0.59 -1.81 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 1i50 n THR 1385CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1i50 n ARG 1386N 4.39 -3.21 -0.06 -2.82 1.85 -1.26 -5.01 116.66 110.55 1i50 n ARG 1386Ca 0.22 2.58 -0.04 0.00 -1.00 0.00 0.00 57.85 59.61 1i50 n ARG 1386Cb 0.09 -4.13 -0.01 0.00 -1.05 0.00 0.00 32.46 27.36 1i50 n ARG 1386CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1i50 n HIS 1387N 1.38 0.58 -2.46 2.89 8.25 -1.26 -4.97 115.22 119.62 1i50 n HIS 1387Ca -0.15 0.25 -0.39 0.00 -0.26 0.00 0.00 57.72 57.16 1i50 n HIS 1387Cb 0.31 -0.60 -0.04 0.00 1.12 0.00 0.00 29.99 30.78 1i50 n HIS 1387CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1i50 s GLY 1388N -3.96 2.97 0.37 -1.41 0.00 -1.26 -4.94 107.32 99.10 1i50 s GLY 1388Ca -0.13 0.87 0.22 0.00 0.00 0.00 0.00 44.72 45.67 1i50 s GLY 1388CO 0.20 1.43 1.49 0.74 0.00 0.00 0.00 173.10 176.95 1i50 h PHE 1389N 3.40 0.00 -2.95 1.90 -1.00 -2.05 -3.41 116.94 112.84 1i50 h PHE 1389Ca -0.47 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 59.79 1i50 h PHE 1389Cb 1.21 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.37 1i50 h PHE 1389CO 0.58 0.09 -0.77 -0.80 -1.61 0.00 0.00 178.31 175.81 1i50 s ASN 1390N -6.12 3.16 0.00 2.17 0.01 -1.26 -5.05 114.94 107.85 1i50 s ASN 1390Ca 0.05 -1.07 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 1i50 s ASN 1390Cb 0.06 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1i50 s ASN 1390CO 0.70 -0.40 0.00 0.54 -1.51 0.00 0.00 177.10 176.43 1i50 n ARG 1391N 5.20 0.00 0.00 -0.60 1.74 -1.26 -5.02 116.66 116.73 1i50 n ARG 1391Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1i50 n ARG 1391Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1i50 n ARG 1391CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1i50 n SER 1392N 0.00 0.00 0.00 0.55 3.41 -1.26 -4.63 113.62 111.69 1i50 n SER 1392Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1i50 n SER 1392Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1i50 n SER 1392CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i50 n ASN 1393N 0.00 0.00 0.00 4.04 3.02 -1.26 -5.08 115.26 115.98 1i50 n ASN 1393Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1i50 n ASN 1393Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1i50 n ASN 1393CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1i50 n THR 1394N 0.00 0.00 -3.74 3.41 -1.04 -1.26 -4.89 114.28 106.76 1i50 n THR 1394Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1i50 n THR 1394Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1i50 n THR 1394CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1i50 s GLY 1395N 0.00 -0.27 0.00 3.41 0.00 -1.26 -4.89 107.32 104.31 1i50 s GLY 1395Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1i50 s GLY 1395CO 0.00 0.80 0.03 0.00 0.00 0.00 0.00 173.10 173.94 1i50 n ALA 1396N 2.61 1.48 0.00 3.20 0.00 -1.26 -0.87 120.51 125.67 1i50 n ALA 1396Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1i50 n ALA 1396Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1i50 n ALA 1396CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i50 n LEU 1397N 0.92 0.62 -4.55 0.00 4.77 -1.26 -4.85 117.00 112.66 1i50 n LEU 1397Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1i50 n LEU 1397Cb 0.02 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1i50 n LEU 1397CO 0.00 0.10 0.32 0.23 -1.33 0.00 0.00 177.39 176.71 1i50 n MET 1398N -1.63 0.30 0.00 3.23 2.81 -0.05 -4.37 117.12 117.41 1i50 n MET 1398Ca 0.00 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1i50 n MET 1398Cb 0.12 -2.06 0.00 0.00 -0.71 0.00 0.00 33.22 30.57 1i50 n MET 1398CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1i50 n ARG 1399N -1.58 0.00 -1.54 0.03 0.63 -1.26 -4.55 116.66 108.39 1i50 n ARG 1399Ca 0.11 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.65 1i50 n ARG 1399Cb 0.50 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.36 1i50 n ARG 1399CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1i50 s SER 1401N 10.84 6.69 0.25 0.00 1.04 -1.26 -4.84 113.70 126.41 1i50 s SER 1401Ca 1.05 0.95 0.00 0.00 0.48 0.00 0.00 55.95 58.43 1i50 s SER 1401Cb -0.42 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1i50 s SER 1401CO 0.33 0.01 0.00 0.49 0.98 0.00 0.00 173.24 175.05 1i50 n PHE 1402N 0.27 -3.99 0.00 5.02 3.01 -1.26 -4.05 117.46 116.46 1i50 n PHE 1402Ca -0.02 2.23 0.00 0.00 1.01 0.00 0.00 57.45 60.67 1i50 n PHE 1402Cb 0.52 -3.33 0.00 0.00 -0.01 0.00 0.00 39.48 36.66 1i50 n PHE 1402CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1i50 n GLU 1403N 0.89 0.00 -2.67 -1.08 1.02 -1.26 -2.07 120.64 115.47 1i50 n GLU 1403Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1i50 n GLU 1403Cb 0.00 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1i50 n GLU 1403CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1i50 n GLU 1404N -0.77 3.40 -0.16 3.49 1.02 -1.26 -4.79 120.64 121.58 1i50 n GLU 1404Ca 0.00 -4.64 0.17 0.00 -0.02 0.00 0.00 57.16 52.67 1i50 n GLU 1404Cb 0.00 -2.26 0.53 0.00 -0.02 0.00 0.00 31.44 29.69 1i50 n GLU 1404CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1i50 h THR 1405N 2.72 0.77 -0.93 2.62 2.02 -1.56 -0.81 112.91 117.75 1i50 h THR 1405Ca 0.24 -0.13 0.21 0.00 0.77 0.00 0.00 66.41 67.50 1i50 h THR 1405Cb 0.67 0.37 -0.18 0.00 -1.74 0.00 0.00 68.15 67.27 1i50 h THR 1405CO 0.88 0.07 -0.16 0.52 0.37 0.00 0.00 175.52 177.19 1i50 n VAL 1406N -4.47 -0.39 -0.09 3.16 0.31 -1.26 0.87 118.33 116.46 1i50 n VAL 1406Ca 0.15 2.10 -0.04 0.00 -0.01 0.00 0.00 64.34 66.53 1i50 n VAL 1406Cb 0.57 -2.95 0.17 0.00 -0.91 0.00 0.00 33.84 30.72 1i50 n VAL 1406CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1i50 h GLU 1407N 0.00 0.75 -0.36 5.55 5.08 -1.55 0.17 114.58 124.22 1i50 h GLU 1407Ca 0.48 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1i50 h GLU 1407Cb 0.82 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1i50 h GLU 1407CO -0.93 0.78 0.13 0.82 -1.00 0.00 0.00 179.01 178.82 1i50 h ILE 1408N 0.70 1.15 0.09 3.13 2.04 0.41 -2.23 117.51 122.80 1i50 h ILE 1408Ca 0.13 -0.47 -0.27 0.00 1.00 0.00 0.00 64.86 65.26 1i50 h ILE 1408Cb 0.47 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1i50 h ILE 1408CO 0.02 0.18 -1.29 -0.07 0.00 0.00 0.00 178.15 176.99 1i50 h LEU 1409N 0.51 0.31 -0.61 1.44 3.38 -0.63 -2.88 115.31 116.83 1i50 h LEU 1409Ca 0.13 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1i50 h LEU 1409Cb 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1i50 h LEU 1409CO -0.01 1.29 0.37 -0.26 0.09 0.00 0.00 178.44 179.92 1i50 h PHE 1410N 0.05 0.79 -0.15 1.13 0.05 -0.26 -1.44 116.94 117.12 1i50 h PHE 1410Ca -0.14 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.44 1i50 h PHE 1410Cb 1.94 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 39.64 1i50 h PHE 1410CO 0.05 0.53 -0.74 0.93 -0.18 0.00 0.00 178.31 178.90 1i50 h GLU 1411N 0.82 0.69 -0.73 1.51 5.08 -1.52 -1.58 114.58 118.86 1i50 h GLU 1411Ca 0.22 -0.55 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1i50 h GLU 1411Cb -0.04 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1i50 h GLU 1411CO -0.04 1.17 0.48 0.00 -1.00 0.00 0.00 179.01 179.61 1i50 h ALA 1412N 0.68 1.74 -0.11 3.43 0.00 -1.28 0.05 119.26 123.77 1i50 h ALA 1412Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1i50 h ALA 1412Cb 1.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1i50 h ALA 1412CO 0.15 0.14 -0.28 0.78 0.00 0.00 0.00 179.25 180.03 1i50 h GLY 1413N 0.73 0.41 2.00 0.00 0.00 -1.08 0.13 103.07 105.26 1i50 h GLY 1413Ca 0.32 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1i50 h GLY 1413CO -0.11 0.46 -0.02 0.00 0.00 0.00 0.00 176.54 176.87 1i50 h ALA 1414N 0.50 1.05 -0.01 3.60 0.00 -0.25 -2.81 119.26 121.33 1i50 h ALA 1414Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i50 h ALA 1414Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1i50 h ALA 1414CO 0.06 0.03 -0.06 0.43 0.00 0.00 0.00 179.25 179.71 1i50 n SER 1415N -3.18 1.46 -3.05 0.00 7.64 -0.10 -4.39 113.62 112.00 1i50 n SER 1415Ca -0.01 -1.23 -0.14 0.00 1.01 0.00 0.00 58.87 58.50 1i50 n SER 1415Cb 0.19 0.17 0.07 0.00 -1.01 0.00 0.00 64.21 63.63 1i50 n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i50 n ALA 1416N 0.19 -2.13 -1.94 -0.43 0.00 -0.54 -4.64 120.51 111.02 1i50 n ALA 1416Ca 0.04 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1i50 n ALA 1416Cb 0.19 -4.45 -0.03 0.00 0.00 0.00 0.00 19.45 15.16 1i50 n ALA 1416CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1i50 s GLU 1417N -4.44 4.44 -0.34 0.00 2.12 0.34 -4.77 118.70 116.04 1i50 s GLU 1417Ca 0.31 2.01 -0.06 0.00 0.36 0.00 0.00 54.97 57.59 1i50 s GLU 1417Cb -0.04 -3.18 0.05 0.00 0.26 0.00 0.00 34.13 31.21 1i50 s GLU 1417CO 0.64 -0.14 0.09 -1.17 -0.54 0.00 0.00 175.26 174.15 1i50 s LEU 1418N -0.60 4.31 -0.32 2.70 2.96 -1.26 -1.34 118.68 125.12 1i50 s LEU 1418Ca 0.53 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 52.94 1i50 s LEU 1418Cb -0.36 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1i50 s LEU 1418CO 0.41 -0.33 1.16 -1.81 -1.32 0.00 0.00 176.35 174.46 1i50 s ASP 1419N 1.42 6.82 0.43 3.68 1.11 0.46 -4.93 116.67 125.66 1i50 s ASP 1419Ca -0.02 1.07 0.21 0.00 0.18 0.00 0.00 52.55 53.99 1i50 s ASP 1419Cb -0.20 -2.54 0.96 0.00 1.07 0.00 0.00 42.92 42.21 1i50 s ASP 1419CO 0.02 -0.98 1.87 0.44 1.18 0.00 0.00 175.17 177.70 1i50 h ASP 1420N 8.58 0.00 -4.75 0.27 3.32 -1.86 -1.37 116.42 120.61 1i50 h ASP 1420Ca -0.23 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.59 1i50 h ASP 1420Cb 1.07 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.75 1i50 h ASP 1420CO 1.04 0.27 -0.59 0.00 -1.72 0.00 0.00 179.24 178.24 1i50 n ARG 1422N -3.23 3.92 -1.32 0.00 1.74 -1.26 -4.68 116.66 111.82 1i50 n ARG 1422Ca -0.18 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.59 1i50 n ARG 1422Cb 0.62 -0.84 0.19 0.00 -1.02 0.00 0.00 32.46 31.41 1i50 n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1i50 s GLY 1423N -1.78 1.60 -0.14 -0.13 0.00 -1.26 -4.36 107.32 101.25 1i50 s GLY 1423Ca 0.01 -0.71 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1i50 s GLY 1423CO 0.21 0.00 0.44 -2.08 0.00 0.00 0.00 173.10 171.67 1i50 h VAL 1424N -2.00 0.97 -0.54 1.40 2.07 -1.98 -3.32 116.25 112.85 1i50 h VAL 1424Ca -0.49 -2.33 -0.11 0.00 0.82 0.00 0.00 66.70 64.60 1i50 h VAL 1424Cb 1.31 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1i50 h VAL 1424CO 0.49 0.63 -0.07 0.28 0.02 0.00 0.00 177.57 178.91 1i50 h SER 1425N -0.47 1.00 -0.79 0.57 0.02 -1.96 -0.76 113.55 111.16 1i50 h SER 1425Ca -0.32 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.32 1i50 h SER 1425Cb 1.64 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.86 1i50 h SER 1425CO -0.01 1.11 0.51 -0.33 -1.14 0.00 0.00 176.83 176.96 1i50 h GLU 1426N 0.89 0.98 0.00 3.45 5.08 -1.85 0.24 114.58 123.37 1i50 h GLU 1426Ca 0.14 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1i50 h GLU 1426Cb 0.63 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1i50 h GLU 1426CO 0.04 0.65 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.71 1i50 h ASN 1427N 1.01 0.00 -0.03 1.42 2.35 -1.60 -2.27 115.58 116.46 1i50 h ASN 1427Ca 0.31 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.83 1i50 h ASN 1427Cb -0.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.37 1i50 h ASN 1427CO -0.10 0.08 -0.90 0.58 -1.65 0.00 0.00 177.43 175.43 1i50 h VAL 1428N 0.00 1.31 0.00 2.81 2.07 0.31 0.53 116.25 123.28 1i50 h VAL 1428Ca -0.00 -2.16 -0.02 0.00 0.82 0.00 0.00 66.70 65.34 1i50 h VAL 1428Cb 0.78 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1i50 h VAL 1428CO 0.01 0.66 -0.09 0.40 0.02 0.00 0.00 177.57 178.58 1i50 h ILE 1429N 0.31 0.81 -0.19 4.57 2.04 -0.84 -0.83 117.51 123.38 1i50 h ILE 1429Ca -0.11 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1i50 h ILE 1429Cb 1.57 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1i50 h ILE 1429CO 0.18 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.60 1i50 n LEU 1430N -4.06 2.60 -0.88 1.44 4.77 -0.87 -4.94 117.00 115.06 1i50 n LEU 1430Ca -0.03 -1.02 -0.11 0.00 -0.03 0.00 0.00 56.01 54.82 1i50 n LEU 1430Cb 0.17 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1i50 n LEU 1430CO 0.32 0.51 -0.11 0.61 -1.33 0.00 0.00 177.39 177.39 1i50 n GLY 1431N 1.32 1.23 3.74 -0.72 0.00 -0.32 -4.99 105.19 105.46 1i50 n GLY 1431Ca 0.17 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1i50 n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i50 s GLN 1432N -2.86 2.25 -0.02 1.61 -0.21 0.18 -4.99 119.66 115.61 1i50 s GLN 1432Ca 0.00 -1.78 -0.13 0.00 0.02 0.00 0.00 55.36 53.47 1i50 s GLN 1432Cb 0.00 -2.03 -0.05 0.00 1.00 0.00 0.00 33.01 31.93 1i50 s GLN 1432CO 0.00 -0.07 0.35 0.00 -2.12 0.00 0.00 175.29 173.45 1i50 s MET 1433N -3.89 3.81 0.38 2.91 0.23 -1.26 -4.13 119.30 117.35 1i50 s MET 1433Ca 0.40 0.28 -0.27 0.00 -1.03 0.00 0.00 55.69 55.08 1i50 s MET 1433Cb 0.02 -3.19 -0.09 0.00 -1.53 0.00 0.00 34.83 30.04 1i50 s MET 1433CO 0.23 0.70 1.31 0.00 -2.03 0.00 0.00 175.02 175.22 1i50 s ALA 1434N -1.10 3.34 0.00 3.16 0.00 -1.26 -4.85 121.76 121.05 1i50 s ALA 1434Ca 0.23 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 1i50 s ALA 1434Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1i50 s ALA 1434CO 0.12 -0.78 1.05 -0.35 0.00 0.00 0.00 175.76 175.80 1i50 n PRO 1435N 0.33 0.49 -4.39 0.00 -0.04 -1.26 -4.22 135.00 125.91 1i50 n PRO 1435Ca 0.02 -0.13 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 1i50 n PRO 1435Cb 0.43 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 1i50 n PRO 1435CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1i50 s ILE 1436N 1.67 2.36 0.00 0.52 -4.36 -1.25 -4.04 121.20 116.11 1i50 s ILE 1436Ca 0.09 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 1i50 s ILE 1436Cb 0.04 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.68 1i50 s ILE 1436CO 0.00 0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.83 1i50 n GLY 1437N 0.73 1.54 0.09 6.27 0.00 -0.96 0.10 105.19 112.97 1i50 n GLY 1437Ca -0.16 0.66 0.08 0.00 0.00 0.00 0.00 46.02 46.60 1i50 n GLY 1437CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1i50 n THR 1438N 0.00 1.17 -1.06 2.61 5.66 -1.26 -2.07 114.28 119.32 1i50 n THR 1438Ca 0.00 0.46 0.09 0.00 -3.05 0.00 0.00 64.05 61.55 1i50 n THR 1438Cb 0.00 -1.39 0.19 0.00 -1.55 0.00 0.00 70.33 67.58 1i50 n THR 1438CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1i50 n GLY 1439N -0.74 4.54 1.67 1.09 0.00 0.29 -4.72 105.19 107.32 1i50 n GLY 1439Ca 0.01 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1i50 n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i50 n ALA 1440N -1.04 4.28 -3.61 4.61 0.00 -0.88 -3.79 120.51 120.08 1i50 n ALA 1440Ca 0.19 -1.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.12 1i50 n ALA 1440Cb 0.76 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1i50 n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1i50 s PHE 1441N -1.68 -0.09 0.30 0.00 -0.12 -1.26 -4.98 117.98 110.14 1i50 s PHE 1441Ca 0.29 0.02 0.08 0.00 -0.05 0.00 0.00 56.93 57.28 1i50 s PHE 1441Cb 0.24 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 43.12 1i50 s PHE 1441CO 0.04 -0.23 0.12 -0.51 -0.05 0.00 0.00 175.22 174.59 1i50 s ASP 1442N -2.48 4.85 0.07 1.98 1.01 -1.26 -5.11 116.67 115.72 1i50 s ASP 1442Ca 0.11 -0.61 0.09 0.00 0.71 0.00 0.00 52.55 52.85 1i50 s ASP 1442Cb 0.01 -0.91 -0.03 0.00 1.01 0.00 0.00 42.92 43.00 1i50 s ASP 1442CO -0.04 -0.16 -0.22 -0.69 0.21 0.00 0.00 175.17 174.26 1i50 s VAL 1443N -2.33 2.49 0.07 -1.27 1.01 -1.26 -5.14 120.40 113.98 1i50 s VAL 1443Ca 0.35 -1.40 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 1i50 s VAL 1443Cb -0.05 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1i50 s VAL 1443CO 0.23 0.27 0.21 -0.04 0.00 0.00 0.00 175.10 175.77 1i50 s MET 1444N -1.58 0.81 0.48 2.72 -1.94 -1.26 -5.15 119.30 113.38 1i50 s MET 1444Ca 0.14 -0.82 -0.21 0.00 -1.71 0.00 0.00 55.69 53.08 1i50 s MET 1444Cb -0.10 0.33 -0.08 0.00 2.01 0.00 0.00 34.83 36.99 1i50 s MET 1444CO 0.05 -0.25 1.10 0.42 -0.01 0.00 0.00 175.02 176.32 1i50 s ILE 1445N -3.40 3.43 -0.26 2.53 1.01 -1.26 -5.03 121.20 118.22 1i50 s ILE 1445Ca 0.01 0.98 -0.02 0.00 0.00 0.00 0.00 60.65 61.62 1i50 s ILE 1445Cb 0.03 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1i50 s ILE 1445CO -0.09 -0.11 -0.04 -0.62 0.00 0.00 0.00 174.94 174.08 1i50 s ASP 1446N -1.69 4.52 -1.27 3.58 2.15 -1.26 -5.01 116.67 117.69 1i50 s ASP 1446Ca 0.66 -0.97 -0.08 0.00 0.43 0.00 0.00 52.55 52.59 1i50 s ASP 1446Cb -0.23 -1.69 0.17 0.00 -0.30 0.00 0.00 42.92 40.88 1i50 s ASP 1446CO 0.27 -0.17 1.93 1.21 -0.17 0.00 0.00 175.17 178.24 1i50 n GLU 1447N 4.67 3.83 0.12 4.34 4.07 -1.26 -3.87 120.64 132.53 1i50 n GLU 1447Ca -0.15 -3.59 0.00 0.00 -0.06 0.00 0.00 57.16 53.36 1i50 n GLU 1447Cb 0.46 -2.85 0.00 0.00 -0.06 0.00 0.00 31.44 28.99 1i50 n GLU 1447CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1i50 n GLU 1448N 3.34 0.00 -1.26 5.31 1.02 -1.26 -5.09 120.64 122.71 1i50 n GLU 1448Ca 0.42 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 57.07 1i50 n GLU 1448Cb 0.34 -0.05 -0.07 0.00 -0.02 0.00 0.00 31.44 31.64 1i50 n GLU 1448CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1i50 n SER 1449N -3.34 0.86 -0.25 1.62 3.41 -1.25 -5.35 113.62 109.32 1i50 n SER 1449Ca 0.00 0.86 0.15 0.00 -0.26 0.00 0.00 58.87 59.62 1i50 n SER 1449Cb 0.01 -0.63 0.73 0.00 -0.26 0.00 0.00 64.21 64.05 1i50 n SER 1449CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06