#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i79 s MET 70 N 0.00 0.05 -0.11 4.33 1.75 -1.26 -0.98 119.30 123.07 1i79 s MET 70 Ca 0.00 0.07 0.03 0.00 -1.25 0.00 0.00 55.69 54.54 1i79 s MET 70 Cb 0.00 -0.18 0.01 0.00 2.84 0.00 0.00 34.83 37.50 1i79 s MET 70 CO 0.00 -0.07 -0.22 -0.06 -0.65 0.00 0.00 175.02 174.02 1i79 s PHE 71 N 0.51 2.47 -0.17 4.11 0.40 0.36 -4.99 117.98 120.66 1i79 s PHE 71 Ca -0.04 -1.11 0.01 0.00 -0.60 0.00 0.00 56.93 55.18 1i79 s PHE 71 Cb -0.07 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.81 1i79 s PHE 71 CO -0.01 -0.48 -0.16 0.08 0.70 0.00 0.00 175.22 175.34 1i79 s VAL 72 N 0.59 1.82 0.00 -0.44 1.01 -1.26 -1.56 120.40 120.56 1i79 s VAL 72 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1i79 s VAL 72 Cb -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1i79 s VAL 72 CO 0.04 0.45 0.00 -1.54 0.00 0.00 0.00 175.10 174.05 1i79 n SER 73 N 4.68 1.82 -0.03 3.32 3.41 -0.80 -5.03 113.62 120.99 1i79 n SER 73 Ca -0.18 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.30 1i79 n SER 73 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1i79 n SER 73 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1i79 h LYS 74 N 0.00 -0.46 0.00 4.33 3.64 -2.06 -3.33 116.57 118.68 1i79 h LYS 74 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1i79 h LYS 74 Cb 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1i79 h LYS 74 CO 0.00 -0.31 0.00 2.89 -2.27 0.00 0.00 179.45 179.76 1i79 n ARG 75 N -5.43 1.63 -4.77 1.90 -4.01 -1.26 -5.05 116.66 99.67 1i79 n ARG 75 Ca -0.04 -1.04 -0.33 0.00 -1.04 0.00 0.00 57.85 55.40 1i79 n ARG 75 Cb 0.36 -0.77 -0.13 0.00 -3.04 0.00 0.00 32.46 28.88 1i79 n ARG 75 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 1i79 s ARG 76 N -0.54 2.91 -0.08 2.89 3.52 -1.25 -5.07 118.95 121.32 1i79 s ARG 76 Ca 0.00 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1i79 s ARG 76 Cb 0.00 -2.53 0.01 0.00 -1.56 0.00 0.00 34.95 30.86 1i79 s ARG 76 CO 0.00 0.47 -0.18 0.12 -0.81 0.00 0.00 175.30 174.90 1i79 s PHE 77 N -0.32 2.03 -0.10 5.12 5.36 -1.26 -1.91 117.98 126.90 1i79 s PHE 77 Ca 0.03 -0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 55.22 1i79 s PHE 77 Cb -0.13 -1.40 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 1i79 s PHE 77 CO 0.03 -0.34 -0.07 0.42 -1.46 0.00 0.00 175.22 173.80 1i79 s ILE 78 N 0.45 0.93 -0.09 3.12 1.01 -0.60 -5.00 121.20 121.01 1i79 s ILE 78 Ca -0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 1i79 s ILE 78 Cb -0.17 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1i79 s ILE 78 CO 0.06 0.34 -0.06 -0.22 0.00 0.00 0.00 174.94 175.07 1i79 s LEU 79 N 1.53 1.09 -0.11 2.97 2.96 -1.26 -0.49 118.68 125.37 1i79 s LEU 79 Ca 0.01 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1i79 s LEU 79 Cb -0.13 -0.72 0.02 0.00 0.50 0.00 0.00 46.19 45.86 1i79 s LEU 79 CO -0.06 -0.12 -0.12 -0.75 -1.32 0.00 0.00 176.35 173.98 1i79 s LYS 80 N 1.63 1.93 0.07 1.98 2.20 -0.15 -5.03 119.74 122.38 1i79 s LYS 80 Ca 0.02 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 1i79 s LYS 80 Cb -0.13 -1.75 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 1i79 s LYS 80 CO -0.06 -0.14 -0.08 0.95 -0.36 0.00 0.00 175.35 175.66 1i79 s THR 81 N 1.25 0.66 0.00 3.43 -4.23 -1.26 -1.41 115.64 114.08 1i79 s THR 81 Ca -0.02 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1i79 s THR 81 Cb -0.14 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1i79 s THR 81 CO -0.04 -0.61 0.00 0.00 -0.54 0.00 0.00 174.62 173.42 1i79 n GLY 83 N 3.30 3.29 1.10 0.00 0.00 -1.26 -2.29 105.19 109.32 1i79 n GLY 83 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1i79 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i79 n THR 84 N 0.00 2.17 -1.68 2.61 -2.24 -1.26 -4.99 114.28 108.88 1i79 n THR 84 Ca 0.00 -1.62 -0.40 0.00 -2.27 0.00 0.00 64.05 59.75 1i79 n THR 84 Cb 0.00 -0.13 0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1i79 n THR 84 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i79 n THR 85 N -0.03 2.88 -3.04 4.28 -2.24 -0.97 -4.64 114.28 110.52 1i79 n THR 85 Ca 0.22 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 1i79 n THR 85 Cb 0.89 -1.45 -0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1i79 n THR 85 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i79 n LEU 86 N -0.05 6.12 -0.20 3.22 4.77 -1.26 -4.89 117.00 124.71 1i79 n LEU 86 Ca 0.09 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 50.81 1i79 n LEU 86 Cb 0.41 -1.18 0.09 0.00 -2.33 0.00 0.00 43.42 40.41 1i79 n LEU 86 CO 0.56 1.76 0.83 0.25 -1.33 0.00 0.00 177.39 179.47 1i79 h LEU 87 N 5.20 -0.29 -1.85 2.23 6.46 -1.95 -2.13 115.31 122.98 1i79 h LEU 87 Ca 0.21 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1i79 h LEU 87 Cb 0.61 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1i79 h LEU 87 CO 1.27 -0.11 0.00 -0.07 -0.62 0.00 0.00 178.44 178.90 1i79 h LEU 88 N 0.11 0.00 0.00 2.25 3.38 -1.98 -1.69 115.31 117.37 1i79 h LEU 88 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1i79 h LEU 88 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1i79 h LEU 88 CO -0.52 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.30 1i79 n LYS 89 N -2.49 0.83 0.00 1.13 5.02 -0.80 -2.76 118.16 119.08 1i79 n LYS 89 Ca -0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.36 1i79 n LYS 89 Cb 0.05 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1i79 n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i79 n ALA 90 N -1.06 2.97 0.22 7.82 0.00 -0.63 -4.63 120.51 125.19 1i79 n ALA 90 Ca 0.21 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1i79 n ALA 90 Cb 0.13 -0.56 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 1i79 n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i79 h LEU 91 N 2.21 -0.47 -0.43 0.00 5.85 -1.66 -1.00 115.31 119.81 1i79 h LEU 91 Ca 0.00 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1i79 h LEU 91 Cb 0.59 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1i79 h LEU 91 CO 0.00 -0.14 0.26 0.58 -0.34 0.00 0.00 178.44 178.80 1i79 h VAL 92 N -0.84 1.06 -0.16 1.05 2.07 -1.82 -1.08 116.25 116.52 1i79 h VAL 92 Ca -0.06 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1i79 h VAL 92 Cb 0.55 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1i79 h VAL 92 CO 0.09 0.10 -0.05 -0.65 0.02 0.00 0.00 177.57 177.08 1i79 h PRO 93 N 0.52 0.24 -0.08 1.57 0.11 -1.82 -2.24 132.00 130.31 1i79 h PRO 93 Ca 0.17 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1i79 h PRO 93 Cb -0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1i79 h PRO 93 CO -0.07 0.31 0.01 1.25 -0.21 0.00 0.00 178.00 179.29 1i79 h LEU 94 N 0.24 0.13 -1.41 2.35 5.85 -0.50 -2.11 115.31 119.85 1i79 h LEU 94 Ca 0.05 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1i79 h LEU 94 Cb 0.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1i79 h LEU 94 CO 0.01 0.39 0.44 -0.07 -0.34 0.00 0.00 178.44 178.86 1i79 h LEU 95 N -0.14 0.65 -0.34 2.25 3.38 -0.90 -0.75 115.31 119.46 1i79 h LEU 95 Ca 0.02 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1i79 h LEU 95 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1i79 h LEU 95 CO 0.00 0.44 -0.23 0.50 0.09 0.00 0.00 178.44 179.24 1i79 h LYS 96 N 0.75 0.75 -0.66 1.13 3.64 -1.26 -2.43 116.57 118.49 1i79 h LYS 96 Ca 0.27 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1i79 h LYS 96 Cb 0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1i79 h LYS 96 CO -0.08 0.98 0.12 -0.07 -2.27 0.00 0.00 179.45 178.13 1i79 h LEU 97 N 0.53 1.03 -1.26 5.20 3.38 -0.82 -0.14 115.31 123.22 1i79 h LEU 97 Ca 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1i79 h LEU 97 Cb 0.79 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1i79 h LEU 97 CO 0.06 1.02 0.19 0.00 0.09 0.00 0.00 178.44 179.80 1i79 h ALA 98 N 1.05 1.42 0.08 1.53 0.00 -1.08 -1.50 119.26 120.76 1i79 h ALA 98 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i79 h ALA 98 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1i79 h ALA 98 CO 0.01 0.44 -0.04 -0.09 0.00 0.00 0.00 179.25 179.57 1i79 h ARG 99 N 0.70 -0.11 -0.60 0.00 2.43 -1.11 -1.66 114.38 114.04 1i79 h ARG 99 Ca 0.17 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1i79 h ARG 99 Cb 0.15 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1i79 h ARG 99 CO -0.02 0.40 0.39 -0.44 -1.51 0.00 0.00 179.97 178.80 1i79 h ASP 100 N -0.91 0.67 0.08 -3.80 3.32 -0.98 -0.88 116.42 113.92 1i79 h ASP 100 Ca -0.01 -0.01 -0.37 0.00 0.02 0.00 0.00 57.03 56.65 1i79 h ASP 100 Cb 0.56 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1i79 h ASP 100 CO 0.02 0.48 -2.15 -1.22 -1.72 0.00 0.00 179.24 174.65 1i79 n TYR 101 N -4.69 0.85 0.18 4.55 4.02 -0.57 -4.62 117.16 116.89 1i79 n TYR 101 Ca 0.05 0.18 0.11 0.00 -0.01 0.00 0.00 57.90 58.23 1i79 n TYR 101 Cb 0.04 -1.11 -0.14 0.00 -0.02 0.00 0.00 39.34 38.10 1i79 n TYR 101 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1i79 n SER 102 N -3.42 0.23 0.00 7.72 7.64 -1.04 -5.00 113.62 119.75 1i79 n SER 102 Ca -0.37 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1i79 n SER 102 Cb 1.03 1.70 0.00 0.00 -1.01 0.00 0.00 64.21 65.93 1i79 n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i79 n GLY 103 N 1.30 0.53 3.57 0.23 0.00 -0.33 -4.98 105.19 105.51 1i79 n GLY 103 Ca -0.02 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1i79 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i79 s PHE 104 N -2.00 2.83 -1.83 1.61 2.99 -0.69 -4.87 117.98 116.01 1i79 s PHE 104 Ca 0.00 0.44 0.18 0.00 0.00 0.00 0.00 56.93 57.54 1i79 s PHE 104 Cb 0.00 -4.21 0.36 0.00 0.00 0.00 0.00 43.02 39.17 1i79 s PHE 104 CO 0.00 -1.26 1.29 -0.40 -0.00 0.00 0.00 175.22 174.85 1i79 n ASP 105 N 7.60 3.13 -4.04 1.36 3.85 -1.26 -3.20 116.55 123.98 1i79 n ASP 105 Ca 0.08 -1.91 -0.09 0.00 -0.71 0.00 0.00 54.79 52.16 1i79 n ASP 105 Cb 0.49 -0.23 -0.09 0.00 -1.35 0.00 0.00 41.12 39.94 1i79 n ASP 105 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1i79 s SER 106 N -1.21 0.28 -0.16 -1.12 0.01 -1.26 -5.12 113.70 105.12 1i79 s SER 106 Ca 0.32 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1i79 s SER 106 Cb 0.18 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1i79 s SER 106 CO 0.25 -0.72 -0.15 -0.63 0.41 0.00 0.00 173.24 172.40 1i79 s ILE 107 N -3.96 2.59 -0.12 1.44 1.01 -1.26 -5.01 121.20 115.89 1i79 s ILE 107 Ca 0.14 -0.79 -0.27 0.00 0.00 0.00 0.00 60.65 59.73 1i79 s ILE 107 Cb 0.06 -2.10 -0.27 0.00 0.01 0.00 0.00 42.46 40.16 1i79 s ILE 107 CO -0.04 0.51 0.78 -0.61 0.00 0.00 0.00 174.94 175.58 1i79 h GLN 108 N 7.48 0.06 -3.83 2.79 4.15 -2.01 -3.48 115.11 120.27 1i79 h GLN 108 Ca -0.35 -0.10 -0.16 0.00 0.77 0.00 0.00 58.65 58.81 1i79 h GLN 108 Cb 1.18 0.04 -0.21 0.00 0.21 0.00 0.00 27.48 28.70 1i79 h GLN 108 CO 0.58 1.05 -0.63 -1.12 -1.93 0.00 0.00 178.83 176.78 1i79 s SER 109 N -6.38 0.17 -0.09 -0.69 0.01 -1.26 -4.99 113.70 100.48 1i79 s SER 109 Ca -0.18 -0.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1i79 s SER 109 Cb -0.02 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.39 1i79 s SER 109 CO 0.72 -0.33 0.20 0.12 0.41 0.00 0.00 173.24 174.35 1i79 s PHE 110 N -1.50 -0.25 -0.07 2.43 5.36 -1.26 -5.05 117.98 117.63 1i79 s PHE 110 Ca -0.15 0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 56.44 1i79 s PHE 110 Cb -0.09 -0.01 0.04 0.00 -0.34 0.00 0.00 43.02 42.62 1i79 s PHE 110 CO -0.00 -0.20 0.08 -0.06 -1.46 0.00 0.00 175.22 173.57 1i79 s PHE 111 N 1.20 0.06 -0.15 10.12 0.40 -1.26 -3.51 117.98 124.83 1i79 s PHE 111 Ca -0.09 0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 1i79 s PHE 111 Cb -0.11 -0.50 0.00 0.00 0.51 0.00 0.00 43.02 42.93 1i79 s PHE 111 CO -0.07 -0.26 -0.17 -0.47 0.70 0.00 0.00 175.22 174.95 1i79 s TYR 112 N 2.18 2.76 0.12 0.36 5.04 -0.35 -4.99 117.35 122.46 1i79 s TYR 112 Ca 0.04 -1.11 -0.14 0.00 -2.44 0.00 0.00 57.07 53.43 1i79 s TYR 112 Cb -0.13 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.33 1i79 s TYR 112 CO -0.04 -0.51 0.34 -1.54 -1.34 0.00 0.00 175.55 172.46 1i79 s SER 113 N 0.83 -0.12 -0.16 4.32 1.04 -1.26 -0.37 113.70 117.98 1i79 s SER 113 Ca -0.05 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 55.63 1i79 s SER 113 Cb -0.15 0.44 0.13 0.00 0.10 0.00 0.00 66.02 66.54 1i79 s SER 113 CO -0.01 -0.83 1.06 0.00 0.98 0.00 0.00 173.24 174.45 1i79 s ARG 114 N -3.83 0.51 0.63 4.02 1.70 -0.88 -5.00 118.95 116.10 1i79 s ARG 114 Ca 0.04 0.02 -0.10 0.00 -0.47 0.00 0.00 55.73 55.23 1i79 s ARG 114 Cb 0.03 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 1i79 s ARG 114 CO -0.11 -0.18 1.01 0.21 -1.08 0.00 0.00 175.30 175.15 1i79 s LYS 115 N -1.57 3.22 0.48 3.89 2.20 -1.26 -0.40 119.74 126.30 1i79 s LYS 115 Ca 0.02 0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 55.87 1i79 s LYS 115 Cb -0.01 -2.12 -0.07 0.00 -1.51 0.00 0.00 37.83 34.13 1i79 s LYS 115 CO -0.02 -0.72 1.37 0.54 -0.36 0.00 0.00 175.35 176.16 1i79 s ASN 116 N -4.26 5.69 0.57 1.43 2.20 -0.72 -4.85 114.94 115.02 1i79 s ASN 116 Ca 0.55 2.80 -0.14 0.00 -0.94 0.00 0.00 52.86 55.14 1i79 s ASN 116 Cb -0.11 -2.64 -0.06 0.00 -2.00 0.00 0.00 41.25 36.44 1i79 s ASN 116 CO 0.51 -1.29 1.01 -0.36 -2.94 0.00 0.00 177.10 174.04 1i79 s PHE 117 N -1.26 3.49 0.05 1.54 2.99 -1.26 -4.94 117.98 118.58 1i79 s PHE 117 Ca 0.65 1.39 -0.16 0.00 0.00 0.00 0.00 56.93 58.81 1i79 s PHE 117 Cb -0.41 -2.78 -0.28 0.00 0.00 0.00 0.00 43.02 39.55 1i79 s PHE 117 CO 0.51 -0.59 1.10 0.52 -0.00 0.00 0.00 175.22 176.76 1i79 h MET 118 N 0.26 0.61 -2.50 0.44 2.86 -2.02 -3.39 114.93 111.19 1i79 h MET 118 Ca -0.45 -0.79 -0.60 0.00 -2.06 0.00 0.00 59.70 55.80 1i79 h MET 118 Cb 1.19 0.25 -0.40 0.00 0.06 0.00 0.00 31.60 32.70 1i79 h MET 118 CO 0.61 1.35 -0.81 1.63 1.06 0.00 0.00 176.91 180.75 1i79 n LYS 119 N -3.85 1.19 -0.23 1.72 5.02 -1.26 -4.99 118.16 115.75 1i79 n LYS 119 Ca -0.13 -3.85 0.23 0.00 -2.02 0.00 0.00 58.31 52.54 1i79 n LYS 119 Cb 0.94 -1.88 0.58 0.00 -0.02 0.00 0.00 35.03 34.65 1i79 n LYS 119 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1i79 h PRO 120 N 5.03 0.26 0.00 1.97 0.11 -1.92 -2.45 132.00 135.01 1i79 h PRO 120 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1i79 h PRO 120 Cb 0.81 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1i79 h PRO 120 CO 0.57 0.17 0.00 0.66 -0.21 0.00 0.00 178.00 179.20 1i79 h SER 121 N 0.27 0.00 1.53 -2.05 4.64 -1.94 -2.92 113.55 113.08 1i79 h SER 121 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1i79 h SER 121 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1i79 h SER 121 CO -0.14 0.00 0.00 0.45 -0.87 0.00 0.00 176.83 176.27 1i79 h HIS 122 N 0.00 0.00 -4.26 4.77 3.86 -1.84 -3.46 115.15 114.22 1i79 h HIS 122 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 1i79 h HIS 122 Cb 0.42 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.97 1i79 h HIS 122 CO 0.00 0.00 0.37 -0.65 0.86 0.00 0.00 177.93 178.51 1i79 s GLN 123 N -3.19 3.06 0.34 2.45 -1.52 -1.10 -4.98 119.66 114.71 1i79 s GLN 123 Ca 0.08 1.13 0.08 0.00 -1.95 0.00 0.00 55.36 54.70 1i79 s GLN 123 Cb 0.10 -2.00 -0.03 0.00 -0.22 0.00 0.00 33.01 30.86 1i79 s GLN 123 CO 0.60 -1.01 0.28 0.20 -0.25 0.00 0.00 175.29 175.10 1i79 s GLY 124 N -3.17 1.81 0.38 3.09 0.00 -1.26 -4.67 107.32 103.50 1i79 s GLY 124 Ca 0.62 -1.68 -0.27 0.00 0.00 0.00 0.00 44.72 43.38 1i79 s GLY 124 CO 0.45 -1.60 1.38 2.98 0.00 0.00 0.00 173.10 176.30 1i79 n TYR 125 N -1.36 2.56 -0.95 1.90 9.36 -1.26 -0.38 117.16 127.04 1i79 n TYR 125 Ca -0.02 0.49 -0.22 0.00 3.32 0.00 0.00 57.90 61.48 1i79 n TYR 125 Cb 0.60 -2.46 0.14 0.00 -0.63 0.00 0.00 39.34 37.00 1i79 n TYR 125 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1i79 n PRO 126 N 0.32 2.12 -0.85 2.98 -0.04 -1.26 -4.96 135.00 133.30 1i79 n PRO 126 Ca 0.04 -2.61 -0.04 0.00 -0.04 0.00 0.00 63.50 60.85 1i79 n PRO 126 Cb 0.38 -2.02 0.26 0.00 -0.04 0.00 0.00 33.50 32.08 1i79 n PRO 126 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1i79 n HIS 127 N -0.88 1.81 0.20 0.54 8.25 0.49 -2.82 115.22 122.82 1i79 n HIS 127 Ca 0.52 -1.30 0.09 0.00 -0.26 0.00 0.00 57.72 56.77 1i79 n HIS 127 Cb 1.41 -0.58 0.28 0.00 1.12 0.00 0.00 29.99 32.22 1i79 n HIS 127 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i79 h ARG 128 N 1.86 0.00 -2.15 -0.41 3.08 -1.83 -3.43 114.38 111.50 1i79 h ARG 128 Ca 0.23 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.42 1i79 h ARG 128 Cb 2.01 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.91 1i79 h ARG 128 CO 0.57 0.24 0.55 0.54 -1.07 0.00 0.00 179.97 180.80 1i79 s ASN 129 N -6.24 -0.31 0.33 7.04 2.20 -1.26 -4.72 114.94 111.99 1i79 s ASN 129 Ca 0.03 -0.04 0.01 0.00 -0.94 0.00 0.00 52.86 51.92 1i79 s ASN 129 Cb 0.08 0.35 0.56 0.00 -2.00 0.00 0.00 41.25 40.25 1i79 s ASN 129 CO 0.67 -0.58 1.97 0.15 -2.94 0.00 0.00 177.10 176.36 1i79 h PHE 130 N 2.00 0.84 -0.35 1.54 3.57 -1.92 -1.94 116.94 120.68 1i79 h PHE 130 Ca -0.21 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 1i79 h PHE 130 Cb 1.23 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1i79 h PHE 130 CO 0.27 0.57 0.12 1.96 -2.23 0.00 0.00 178.31 179.00 1i79 h GLN 131 N 0.88 0.50 -0.31 1.11 1.08 -1.97 0.51 115.11 116.92 1i79 h GLN 131 Ca 0.23 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 57.20 1i79 h GLN 131 Cb -0.02 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1i79 h GLN 131 CO -0.04 0.43 -0.46 1.49 -0.95 0.00 0.00 178.83 179.30 1i79 h GLU 132 N 0.50 0.81 -0.46 1.46 4.81 -1.64 -1.64 114.58 118.42 1i79 h GLU 132 Ca 0.12 -0.46 -0.13 0.00 -0.13 0.00 0.00 59.36 58.76 1i79 h GLU 132 Cb 0.13 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1i79 h GLU 132 CO -0.01 1.09 -0.24 0.93 -0.73 0.00 0.00 179.01 180.05 1i79 h GLU 133 N 0.64 0.96 -0.63 1.92 5.08 -1.00 -1.79 114.58 119.76 1i79 h GLU 133 Ca 0.04 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1i79 h GLU 133 Cb 1.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1i79 h GLU 133 CO 0.10 1.09 0.31 0.82 -1.00 0.00 0.00 179.01 180.33 1i79 h ILE 134 N 0.82 1.21 -0.31 3.13 2.04 -0.82 -1.36 117.51 122.23 1i79 h ILE 134 Ca 0.10 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1i79 h ILE 134 Cb 0.81 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1i79 h ILE 134 CO 0.07 0.24 -0.22 -0.33 0.00 0.00 0.00 178.15 177.91 1i79 h GLU 135 N 0.86 0.58 -0.29 2.37 5.08 -1.15 0.35 114.58 122.39 1i79 h GLU 135 Ca 0.22 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1i79 h GLU 135 Cb 0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1i79 h GLU 135 CO -0.03 0.76 -0.05 0.35 -1.00 0.00 0.00 179.01 179.05 1i79 h PHE 136 N 0.52 0.61 -0.11 4.33 3.57 -1.04 -2.98 116.94 121.83 1i79 h PHE 136 Ca 0.08 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 1i79 h PHE 136 Cb 0.66 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1i79 h PHE 136 CO 0.03 0.72 -0.57 -0.07 -2.23 0.00 0.00 178.31 176.19 1i79 h LEU 137 N 0.32 0.40 -1.88 0.59 3.38 -1.14 -2.93 115.31 114.04 1i79 h LEU 137 Ca 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1i79 h LEU 137 Cb 0.51 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1i79 h LEU 137 CO 0.02 0.88 -0.12 0.78 0.09 0.00 0.00 178.44 180.10 1i79 h ASN 138 N 0.27 0.00 1.33 -0.43 2.35 -0.89 0.17 115.58 118.38 1i79 h ASN 138 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1i79 h ASN 138 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1i79 h ASN 138 CO 0.10 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 1i79 h ALA 139 N 1.88 1.00 0.00 -0.83 0.00 -1.36 -3.31 119.26 116.65 1i79 h ALA 139 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1i79 h ALA 139 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1i79 h ALA 139 CO 0.02 0.00 -2.30 -0.89 0.00 0.00 0.00 179.25 176.07 1i79 n ILE 140 N -2.34 1.30 -5.02 0.00 5.41 -0.45 -5.00 119.36 113.27 1i79 n ILE 140 Ca 0.05 -0.47 -0.31 0.00 1.00 0.00 0.00 62.75 63.02 1i79 n ILE 140 Cb 0.39 -1.40 -0.15 0.00 -0.71 0.00 0.00 39.64 37.78 1i79 n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1i79 s PHE 141 N -2.45 2.43 -0.71 1.39 0.40 0.46 -5.02 117.98 114.48 1i79 s PHE 141 Ca -0.31 -0.35 0.23 0.00 -0.60 0.00 0.00 56.93 55.90 1i79 s PHE 141 Cb 0.09 -1.49 0.13 0.00 0.51 0.00 0.00 43.02 42.25 1i79 s PHE 141 CO 0.51 0.09 1.10 -0.35 0.70 0.00 0.00 175.22 177.27 1i79 n PRO 142 N 2.09 0.22 -1.42 0.24 -0.04 -1.26 -4.33 135.00 130.49 1i79 n PRO 142 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 1i79 n PRO 142 Cb 0.52 -1.58 0.10 0.00 -0.04 0.00 0.00 33.50 32.50 1i79 n PRO 142 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1i79 n ASN 143 N -1.86 4.53 -4.80 3.54 6.94 -1.26 -5.05 115.26 117.30 1i79 n ASN 143 Ca 0.03 -3.78 -0.34 0.00 -0.02 0.00 0.00 54.58 50.47 1i79 n ASN 143 Cb 0.41 -0.58 -0.02 0.00 -2.36 0.00 0.00 39.78 37.24 1i79 n ASN 143 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1i79 s GLY 144 N -2.88 2.40 -0.11 4.83 0.00 -1.26 -0.43 107.32 109.87 1i79 s GLY 144 Ca 0.51 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.75 1i79 s GLY 144 CO 0.01 0.87 0.11 0.00 0.00 0.00 0.00 173.10 174.09 1i79 s ALA 145 N -2.12 0.15 -0.10 3.20 0.00 0.54 -4.80 121.76 118.64 1i79 s ALA 145 Ca 0.66 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 1i79 s ALA 145 Cb -0.17 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1i79 s ALA 145 CO 0.26 -0.80 0.02 0.20 0.00 0.00 0.00 175.76 175.44 1i79 s GLY 146 N 2.20 1.89 0.09 0.00 0.00 -1.26 -0.87 107.32 109.37 1i79 s GLY 146 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1i79 s GLY 146 CO -0.06 -0.47 -0.08 -0.19 0.00 0.00 0.00 173.10 172.29 1i79 s TYR 147 N -0.74 0.92 -0.13 1.90 1.51 0.13 -4.99 117.35 115.95 1i79 s TYR 147 Ca 0.12 -0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 55.39 1i79 s TYR 147 Cb -0.12 -0.52 0.04 0.00 -0.11 0.00 0.00 41.96 41.25 1i79 s TYR 147 CO 0.02 -0.08 -0.01 0.00 -1.11 0.00 0.00 175.55 174.37 1i79 s MET 149 N 1.85 3.26 0.69 0.00 -1.94 0.60 -4.95 119.30 118.81 1i79 s MET 149 Ca 0.02 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 1i79 s MET 149 Cb -0.14 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 33.67 1i79 s MET 149 CO -0.07 0.73 0.00 0.41 -0.01 0.00 0.00 175.02 176.08 1i79 n GLY 150 N 1.77 -1.81 3.63 -0.03 0.00 -1.26 -0.71 105.19 106.77 1i79 n GLY 150 Ca -0.17 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1i79 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i79 s ARG 151 N 0.00 4.11 0.39 1.61 0.52 -1.08 -4.92 118.95 119.59 1i79 s ARG 151 Ca 0.00 0.55 -0.26 0.00 -0.52 0.00 0.00 55.73 55.50 1i79 s ARG 151 Cb 0.00 -3.65 -0.09 0.00 0.52 0.00 0.00 34.95 31.73 1i79 s ARG 151 CO 0.00 -0.41 1.25 -1.64 0.02 0.00 0.00 175.30 174.52 1i79 s MET 152 N 2.50 4.04 -0.83 3.54 -1.94 -1.26 -2.41 119.30 122.95 1i79 s MET 152 Ca 0.26 2.04 0.00 0.00 -1.71 0.00 0.00 55.69 56.28 1i79 s MET 152 Cb -0.15 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 33.92 1i79 s MET 152 CO 0.08 -0.39 0.00 0.09 -0.01 0.00 0.00 175.02 174.79 1i79 n ASN 153 N 0.19 -3.41 0.00 3.03 4.13 -1.26 -4.93 115.26 113.00 1i79 n ASN 153 Ca 0.04 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1i79 n ASN 153 Cb 0.44 -2.40 0.00 0.00 -1.54 0.00 0.00 39.78 36.28 1i79 n ASN 153 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1i79 n SER 154 N 0.36 0.00 -4.65 6.41 2.88 -1.01 -5.11 113.62 112.50 1i79 n SER 154 Ca -0.10 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.01 1i79 n SER 154 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 1i79 n SER 154 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1i79 s ASP 155 N 2.00 6.91 0.29 -3.46 1.11 -1.24 -4.87 116.67 117.42 1i79 s ASP 155 Ca 0.00 1.56 -0.05 0.00 0.18 0.00 0.00 52.55 54.23 1i79 s ASP 155 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1i79 s ASP 155 CO 0.00 -0.81 0.43 0.00 1.18 0.00 0.00 175.17 175.96 1i79 s TRP 157 N -3.50 0.06 -0.02 0.00 -0.00 0.11 -1.75 118.94 113.84 1i79 s TRP 157 Ca 0.29 0.12 -0.02 0.00 -0.00 0.00 0.00 56.10 56.49 1i79 s TRP 157 Cb 0.01 -0.26 -0.04 0.00 -0.00 0.00 0.00 33.47 33.17 1i79 s TRP 157 CO 0.16 -0.10 0.14 0.71 -0.00 0.00 0.00 176.95 177.86 1i79 s TYR 158 N 1.10 3.45 -0.03 5.86 1.51 0.46 -0.29 117.35 129.41 1i79 s TYR 158 Ca -0.09 0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1i79 s TYR 158 Cb -0.13 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1i79 s TYR 158 CO -0.03 0.62 0.06 -1.17 -1.11 0.00 0.00 175.55 173.92 1i79 s LEU 159 N -1.73 1.33 -0.12 -1.29 2.96 -0.31 -2.06 118.68 117.46 1i79 s LEU 159 Ca 0.24 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1i79 s LEU 159 Cb -0.12 0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.68 1i79 s LEU 159 CO 0.15 -0.08 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.46 1i79 s TYR 160 N 0.65 2.16 0.18 5.38 5.04 0.50 0.20 117.35 131.46 1i79 s TYR 160 Ca -0.05 -1.06 0.00 0.00 -2.44 0.00 0.00 57.07 53.52 1i79 s TYR 160 Cb -0.07 -1.54 -0.04 0.00 0.35 0.00 0.00 41.96 40.66 1i79 s TYR 160 CO -0.02 -0.54 0.06 -0.08 -1.34 0.00 0.00 175.55 173.63 1i79 s THR 161 N 1.02 0.35 -0.18 4.34 -1.32 -0.05 -1.21 115.64 118.59 1i79 s THR 161 Ca -0.05 -1.97 -0.10 0.00 -1.21 0.00 0.00 61.69 58.36 1i79 s THR 161 Cb -0.15 -2.29 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 1i79 s THR 161 CO -0.03 -0.27 0.17 -0.76 -2.21 0.00 0.00 174.62 171.51 1i79 s LEU 162 N -3.17 4.24 -0.62 9.08 1.43 -1.23 -0.34 118.68 128.08 1i79 s LEU 162 Ca 0.30 0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 53.53 1i79 s LEU 162 Cb 0.07 -2.15 0.10 0.00 0.03 0.00 0.00 46.19 44.24 1i79 s LEU 162 CO 0.07 0.19 0.76 -0.62 0.23 0.00 0.00 176.35 176.99 1i79 s ASP 163 N 0.19 6.21 -0.54 2.29 3.68 0.42 -4.84 116.67 124.09 1i79 s ASP 163 Ca 0.11 -1.42 -0.10 0.00 2.13 0.00 0.00 52.55 53.26 1i79 s ASP 163 Cb -0.12 -2.32 0.14 0.00 -1.45 0.00 0.00 42.92 39.17 1i79 s ASP 163 CO 0.00 -1.15 0.43 -0.36 0.13 0.00 0.00 175.17 174.22 1i79 s PHE 164 N 2.84 3.44 0.01 -5.34 0.08 -1.26 -4.89 117.98 112.85 1i79 s PHE 164 Ca 0.14 -1.87 -0.07 0.00 0.12 0.00 0.00 56.93 55.25 1i79 s PHE 164 Cb -0.22 -3.56 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 1i79 s PHE 164 CO 0.06 -0.99 1.10 -1.35 -0.10 0.00 0.00 175.22 173.94 1i79 h PRO 165 N 8.32 -0.23 -4.17 0.24 0.11 -2.00 -3.49 132.00 130.78 1i79 h PRO 165 Ca -0.17 0.02 -0.75 0.00 0.11 0.00 0.00 66.00 65.20 1i79 h PRO 165 Cb 1.06 0.05 -0.24 0.00 0.11 0.00 0.00 31.00 31.99 1i79 h PRO 165 CO 0.87 -0.15 -0.26 -1.21 -0.21 0.00 0.00 178.00 177.03 1i79 s GLU 166 N -3.52 2.97 0.00 1.05 8.01 -1.26 -5.17 118.70 120.78 1i79 s GLU 166 Ca -0.03 -1.60 0.00 0.00 0.01 0.00 0.00 54.97 53.35 1i79 s GLU 166 Cb 0.00 -4.23 0.00 0.00 -4.31 0.00 0.00 34.13 25.59 1i79 s GLU 166 CO 0.11 -1.23 0.00 -1.13 0.01 0.00 0.00 175.26 173.02 1i79 n SER 171 N 5.22 0.00 -4.94 -0.19 3.41 -1.26 -5.23 113.62 110.63 1i79 n SER 171 Ca -0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.23 1i79 n SER 171 Cb 0.41 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1i79 n SER 171 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i79 s GLN 172 N -2.06 2.56 -0.15 4.33 0.00 -1.26 -4.83 119.66 118.26 1i79 s GLN 172 Ca 0.00 -0.35 -0.36 0.00 -0.00 0.00 0.00 55.36 54.65 1i79 s GLN 172 Cb 0.00 -2.32 -0.13 0.00 0.00 0.00 0.00 33.01 30.56 1i79 s GLN 172 CO 0.00 -0.86 1.85 -2.30 0.00 0.00 0.00 175.29 173.97 1i79 n PRO 173 N -2.60 1.88 -3.86 9.60 -0.02 -1.26 -4.80 135.00 133.95 1i79 n PRO 173 Ca 0.06 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 1i79 n PRO 173 Cb 0.59 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.46 1i79 n PRO 173 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i79 s ASP 174 N 3.94 -0.04 -0.00 2.55 2.15 -1.26 -4.86 116.67 119.15 1i79 s ASP 174 Ca 0.94 0.04 -0.23 0.00 0.43 0.00 0.00 52.55 53.73 1i79 s ASP 174 Cb -0.80 0.19 0.05 0.00 -0.30 0.00 0.00 42.92 42.06 1i79 s ASP 174 CO 0.56 -0.13 0.51 0.00 -0.17 0.00 0.00 175.17 175.93 1i79 s GLN 175 N -0.40 0.93 -0.10 4.34 0.00 -1.26 -1.66 119.66 121.50 1i79 s GLN 175 Ca -0.05 -0.06 -0.04 0.00 -0.00 0.00 0.00 55.36 55.21 1i79 s GLN 175 Cb -0.03 0.43 0.05 0.00 0.00 0.00 0.00 33.01 33.45 1i79 s GLN 175 CO 0.00 -0.30 0.22 0.99 0.00 0.00 0.00 175.29 176.20 1i79 s THR 176 N -1.70 -0.17 -0.10 3.63 2.01 -0.32 -4.33 115.64 114.66 1i79 s THR 176 Ca -0.10 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1i79 s THR 176 Cb -0.02 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 1i79 s THR 176 CO 0.04 0.09 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.70 1i79 s LEU 177 N 1.70 2.70 -0.05 4.42 2.96 0.16 -1.04 118.68 129.53 1i79 s LEU 177 Ca -0.05 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1i79 s LEU 177 Cb -0.11 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1i79 s LEU 177 CO -0.08 0.23 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.45 1i79 s GLU 178 N -0.06 1.52 -0.28 1.98 2.02 -0.49 -1.33 118.70 122.07 1i79 s GLU 178 Ca -0.03 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1i79 s GLU 178 Cb -0.14 -1.32 0.07 0.00 0.10 0.00 0.00 34.13 32.85 1i79 s GLU 178 CO 0.04 0.13 -0.03 0.42 0.02 0.00 0.00 175.26 175.84 1i79 s ILE 179 N 0.31 1.84 -0.37 -1.63 1.01 0.11 -1.52 121.20 120.95 1i79 s ILE 179 Ca -0.08 -1.64 -0.11 0.00 0.00 0.00 0.00 60.65 58.82 1i79 s ILE 179 Cb -0.12 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.22 1i79 s ILE 179 CO 0.02 -0.26 0.21 -0.76 0.00 0.00 0.00 174.94 174.15 1i79 s LEU 180 N 1.21 4.70 0.01 2.97 1.43 -0.18 -0.90 118.68 127.91 1i79 s LEU 180 Ca -0.01 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1i79 s LEU 180 Cb -0.19 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1i79 s LEU 180 CO -0.08 -0.37 -0.04 -0.04 0.23 0.00 0.00 176.35 176.04 1i79 s MET 181 N 1.57 2.61 0.22 1.70 -1.94 0.11 -1.18 119.30 122.39 1i79 s MET 181 Ca 0.02 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1i79 s MET 181 Cb -0.19 -2.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.05 1i79 s MET 181 CO 0.07 0.60 0.11 -1.12 -0.01 0.00 0.00 175.02 174.67 1i79 s SER 182 N -1.53 0.69 -1.32 3.03 0.01 -0.63 -0.70 113.70 113.25 1i79 s SER 182 Ca 0.18 -1.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.03 1i79 s SER 182 Cb -0.11 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.38 1i79 s SER 182 CO 0.09 -0.77 0.58 -0.62 0.41 0.00 0.00 173.24 172.92 1i79 n GLU 183 N -0.36 -3.47 -1.87 12.44 1.02 -1.22 -1.98 120.64 125.20 1i79 n GLU 183 Ca 0.01 0.49 -0.32 0.00 -0.02 0.00 0.00 57.16 57.32 1i79 n GLU 183 Cb 0.66 -4.69 0.02 0.00 -0.02 0.00 0.00 31.44 27.41 1i79 n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i79 s LEU 184 N -6.77 3.33 0.15 -4.62 1.02 -1.26 -1.22 118.68 109.31 1i79 s LEU 184 Ca 0.09 1.65 -0.32 0.00 0.02 0.00 0.00 54.13 55.57 1i79 s LEU 184 Cb -0.03 -4.51 -0.12 0.00 0.02 0.00 0.00 46.19 41.55 1i79 s LEU 184 CO 0.86 -1.17 1.74 -0.67 0.02 0.00 0.00 176.35 177.12 1i79 n ASP 185 N -2.52 3.77 -0.30 2.29 -0.08 -0.57 -4.90 116.55 114.24 1i79 n ASP 185 Ca 0.08 1.03 0.02 0.00 -1.51 0.00 0.00 54.79 54.41 1i79 n ASP 185 Cb 0.53 -1.52 0.16 0.00 2.34 0.00 0.00 41.12 42.64 1i79 n ASP 185 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1i79 h PRO 186 N 7.34 0.86 -0.58 -0.67 0.11 -1.93 -0.89 132.00 136.24 1i79 h PRO 186 Ca -0.45 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1i79 h PRO 186 Cb 1.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1i79 h PRO 186 CO 0.94 0.57 0.05 0.00 -0.21 0.00 0.00 178.00 179.34 1i79 h ALA 187 N 1.44 0.99 -0.23 -0.75 0.00 -2.00 -1.40 119.26 117.32 1i79 h ALA 187 Ca 0.39 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1i79 h ALA 187 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1i79 h ALA 187 CO -0.21 0.63 -0.03 0.28 0.00 0.00 0.00 179.25 179.91 1i79 h VAL 188 N 0.89 1.27 0.00 0.00 2.07 -1.76 -2.94 116.25 115.79 1i79 h VAL 188 Ca 0.17 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1i79 h VAL 188 Cb 0.46 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1i79 h VAL 188 CO 0.02 0.30 -0.06 0.24 0.02 0.00 0.00 177.57 178.09 1i79 h MET 189 N 0.17 0.00 0.00 1.57 2.86 -0.98 -2.41 114.93 116.14 1i79 h MET 189 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1i79 h MET 189 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1i79 h MET 189 CO 0.02 0.06 -0.07 0.22 1.06 0.00 0.00 176.91 178.19 1i79 h ASP 190 N 0.00 0.00 0.60 1.22 3.58 -1.06 -1.97 116.42 118.79 1i79 h ASP 190 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1i79 h ASP 190 Cb 0.15 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1i79 h ASP 190 CO 0.01 0.07 -0.19 1.56 -2.88 0.00 0.00 179.24 177.81 1i79 h GLN 191 N 0.00 0.00 -1.05 0.28 4.20 -1.55 -3.17 115.11 113.82 1i79 h GLN 191 Ca -0.00 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 58.29 1i79 h GLN 191 Cb 0.22 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.77 1i79 h GLN 191 CO 0.01 0.19 0.53 1.19 -0.67 0.00 0.00 178.83 180.08 1i79 n PHE 192 N -3.56 2.34 -5.19 2.96 3.01 -0.74 -4.81 117.46 111.47 1i79 n PHE 192 Ca -0.01 -1.74 -0.31 0.00 1.01 0.00 0.00 57.45 56.40 1i79 n PHE 192 Cb 0.34 -0.87 -0.17 0.00 -0.01 0.00 0.00 39.48 38.76 1i79 n PHE 192 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1i79 s TYR 193 N -2.57 2.46 0.28 1.38 1.51 -1.20 -1.33 117.35 117.89 1i79 s TYR 193 Ca 0.44 -0.94 -0.30 0.00 -1.01 0.00 0.00 57.07 55.25 1i79 s TYR 193 Cb 0.37 -1.64 -0.12 0.00 -0.11 0.00 0.00 41.96 40.45 1i79 s TYR 193 CO 0.06 -0.36 1.49 -1.33 -1.11 0.00 0.00 175.55 174.30 1i79 n MET 194 N 3.40 2.40 -4.06 -0.62 2.81 -0.59 -5.00 117.12 115.47 1i79 n MET 194 Ca -0.19 0.85 -0.13 0.00 -1.81 0.00 0.00 57.70 56.42 1i79 n MET 194 Cb 0.53 -2.57 -0.12 0.00 -0.71 0.00 0.00 33.22 30.35 1i79 n MET 194 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1i79 s LYS 195 N -0.64 0.49 0.33 0.03 1.02 -1.26 -5.01 119.74 114.69 1i79 s LYS 195 Ca 0.64 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.67 1i79 s LYS 195 Cb -0.56 -0.26 -0.11 0.00 -0.52 0.00 0.00 37.83 36.38 1i79 s LYS 195 CO 0.51 0.05 1.57 -0.51 -0.92 0.00 0.00 175.35 176.04 1i79 s ASP 196 N -1.40 6.34 0.00 2.83 -0.00 -1.26 -2.36 116.67 120.82 1i79 s ASP 196 Ca -0.09 3.01 0.00 0.00 -0.00 0.00 0.00 52.55 55.46 1i79 s ASP 196 Cb -0.09 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.18 1i79 s ASP 196 CO 0.00 -0.92 0.00 0.61 -0.00 0.00 0.00 175.17 174.87 1i79 n GLY 197 N 1.55 1.44 3.46 0.21 0.00 -1.26 -4.98 105.19 105.61 1i79 n GLY 197 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1i79 n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i79 s VAL 198 N -2.74 4.58 0.51 1.61 1.01 -1.00 -5.08 120.40 119.29 1i79 s VAL 198 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1i79 s VAL 198 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1i79 s VAL 198 CO 0.00 0.18 0.75 0.42 0.00 0.00 0.00 175.10 176.45 1i79 s THR 199 N 1.63 3.43 0.33 3.92 -4.23 -1.26 -4.58 115.64 114.89 1i79 s THR 199 Ca 0.05 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1i79 s THR 199 Cb -0.16 -3.29 0.18 0.00 1.34 0.00 0.00 72.50 70.56 1i79 s THR 199 CO 0.06 -0.22 1.90 0.00 -0.54 0.00 0.00 174.62 175.81 1i79 h ALA 200 N 0.18 1.39 -0.49 3.99 0.00 -1.97 -1.50 119.26 120.86 1i79 h ALA 200 Ca -0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1i79 h ALA 200 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1i79 h ALA 200 CO 0.56 0.44 0.22 -0.22 0.00 0.00 0.00 179.25 180.25 1i79 h LYS 201 N 0.60 0.72 -0.09 0.00 3.64 -1.94 0.07 116.57 119.58 1i79 h LYS 201 Ca 0.14 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1i79 h LYS 201 Cb 0.24 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1i79 h LYS 201 CO -0.00 0.62 0.06 -0.44 -2.27 0.00 0.00 179.45 177.41 1i79 h ASP 202 N 0.65 0.10 -0.41 4.20 3.32 -1.78 -2.56 116.42 119.94 1i79 h ASP 202 Ca 0.17 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1i79 h ASP 202 Cb 0.15 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1i79 h ASP 202 CO -0.02 0.09 0.22 0.58 -1.72 0.00 0.00 179.24 178.39 1i79 h VAL 203 N 0.11 1.00 -0.82 -1.35 2.07 -1.05 -0.25 116.25 115.96 1i79 h VAL 203 Ca 0.03 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1i79 h VAL 203 Cb 0.00 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1i79 h VAL 203 CO -0.01 0.08 0.49 0.74 0.02 0.00 0.00 177.57 178.90 1i79 h THR 204 N 0.44 1.00 0.06 2.57 2.02 -0.83 -1.53 112.91 116.65 1i79 h THR 204 Ca 0.17 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1i79 h THR 204 Cb 0.06 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1i79 h THR 204 CO -0.11 0.16 -0.03 -0.09 0.37 0.00 0.00 175.52 175.82 1i79 h ARG 205 N 0.89 -0.08 0.00 6.66 2.43 -1.17 -1.06 114.38 122.04 1i79 h ARG 205 Ca 0.36 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1i79 h ARG 205 Cb 0.21 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1i79 h ARG 205 CO -0.19 0.50 -0.10 0.93 -1.51 0.00 0.00 179.97 179.61 1i79 h GLU 206 N -0.85 0.00 0.00 0.20 5.08 -1.01 -2.52 114.58 115.49 1i79 h GLU 206 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1i79 h GLU 206 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1i79 h GLU 206 CO 0.01 0.10 -0.28 -1.13 -1.00 0.00 0.00 179.01 176.71 1i79 n SER 207 N -3.62 0.45 0.00 1.42 3.41 -0.58 -4.93 113.62 109.77 1i79 n SER 207 Ca -0.02 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1i79 n SER 207 Cb 0.22 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1i79 n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i79 n GLY 208 N 1.43 0.68 0.07 5.00 0.00 -0.95 -4.90 105.19 106.51 1i79 n GLY 208 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1i79 n GLY 208 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i79 h ILE 209 N 0.00 1.21 -0.67 -0.61 2.04 -1.72 -3.26 117.51 114.51 1i79 h ILE 209 Ca 0.00 -0.77 0.14 0.00 1.00 0.00 0.00 64.86 65.24 1i79 h ILE 209 Cb 0.00 1.72 -0.12 0.00 -0.74 0.00 0.00 36.82 37.67 1i79 h ILE 209 CO 0.00 0.19 -0.08 -0.09 0.00 0.00 0.00 178.15 178.18 1i79 h ARG 210 N -0.38 0.05 0.00 2.37 2.43 -1.47 -0.64 114.38 116.74 1i79 h ARG 210 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1i79 h ARG 210 Cb 0.35 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1i79 h ARG 210 CO 0.01 0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 178.25 1i79 n ASP 211 N -5.38 0.00 -0.10 -3.80 8.00 -1.23 -3.62 116.55 110.43 1i79 n ASP 211 Ca 0.10 -1.32 -0.06 0.00 0.71 0.00 0.00 54.79 54.22 1i79 n ASP 211 Cb 0.38 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.61 1i79 n ASP 211 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i79 h LEU 212 N 0.00 0.76 -6.26 0.64 3.38 -1.15 -3.37 115.31 109.32 1i79 h LEU 212 Ca 0.00 -0.22 -0.48 0.00 0.09 0.00 0.00 57.88 57.27 1i79 h LEU 212 Cb 0.00 -0.21 -0.34 0.00 0.09 0.00 0.00 40.66 40.21 1i79 h LEU 212 CO 0.00 0.89 -0.82 -0.63 0.09 0.00 0.00 178.44 177.97 1i79 s ILE 213 N -4.82 -0.04 0.83 1.22 1.01 -1.24 -5.07 121.20 113.09 1i79 s ILE 213 Ca -0.09 -1.80 -0.13 0.00 0.00 0.00 0.00 60.65 58.62 1i79 s ILE 213 Cb 0.14 -0.92 0.07 0.00 0.01 0.00 0.00 42.46 41.76 1i79 s ILE 213 CO 0.82 -0.87 1.02 -2.65 0.00 0.00 0.00 174.94 173.26 1i79 n PRO 214 N 3.50 0.06 -1.01 2.79 -0.02 -1.26 -3.71 135.00 135.36 1i79 n PRO 214 Ca 0.20 0.09 -0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1i79 n PRO 214 Cb 0.46 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1i79 n PRO 214 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i79 n GLY 215 N 0.76 0.47 3.89 -1.23 0.00 -1.26 -5.04 105.19 102.78 1i79 n GLY 215 Ca 0.12 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1i79 n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i79 s SER 216 N -2.35 6.52 -0.14 1.61 0.01 -1.24 -4.64 113.70 113.46 1i79 s SER 216 Ca 0.00 0.64 -0.22 0.00 1.31 0.00 0.00 55.95 57.68 1i79 s SER 216 Cb 0.00 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 1i79 s SER 216 CO 0.00 0.05 0.65 -0.69 0.41 0.00 0.00 173.24 173.66 1i79 s VAL 217 N -1.65 5.04 -0.04 3.43 1.01 0.13 -4.86 120.40 123.46 1i79 s VAL 217 Ca 0.41 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.73 1i79 s VAL 217 Cb -0.12 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1i79 s VAL 217 CO 0.24 0.18 -0.24 -0.63 0.00 0.00 0.00 175.10 174.65 1i79 s ILE 218 N 1.39 2.19 -0.29 2.22 1.01 -1.26 -1.45 121.20 125.01 1i79 s ILE 218 Ca 0.32 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1i79 s ILE 218 Cb -0.16 -1.79 0.08 0.00 0.01 0.00 0.00 42.46 40.60 1i79 s ILE 218 CO 0.13 0.58 -0.00 -0.62 0.00 0.00 0.00 174.94 175.03 1i79 s ASP 219 N -0.44 4.27 0.10 3.58 2.15 -0.49 -5.00 116.67 120.85 1i79 s ASP 219 Ca 0.05 -1.61 0.09 0.00 0.43 0.00 0.00 52.55 51.51 1i79 s ASP 219 Cb -0.12 -1.32 -0.04 0.00 -0.30 0.00 0.00 42.92 41.14 1i79 s ASP 219 CO 0.01 -0.31 -0.22 0.00 -0.17 0.00 0.00 175.17 174.48 1i79 s ALA 220 N 1.23 2.51 -0.02 3.66 0.00 -1.26 -1.54 121.76 126.34 1i79 s ALA 220 Ca 0.02 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1i79 s ALA 220 Cb -0.19 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1i79 s ALA 220 CO -0.10 0.56 -0.02 0.99 0.00 0.00 0.00 175.76 177.20 1i79 s THR 221 N -1.05 0.25 -0.22 0.00 2.01 0.63 -4.85 115.64 112.40 1i79 s THR 221 Ca 0.15 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 1i79 s THR 221 Cb -0.10 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 1i79 s THR 221 CO 0.07 0.13 0.13 -0.04 -0.69 0.00 0.00 174.62 174.21 1i79 s MET 222 N 0.58 4.03 0.18 4.92 -1.94 -1.26 -1.46 119.30 124.35 1i79 s MET 222 Ca -0.06 -0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 53.50 1i79 s MET 222 Cb -0.09 -3.43 -0.07 0.00 2.01 0.00 0.00 34.83 33.25 1i79 s MET 222 CO -0.01 0.12 0.54 -0.06 -0.01 0.00 0.00 175.02 175.60 1i79 s PHE 223 N 0.86 3.52 -0.20 -0.03 0.40 -0.23 -4.99 117.98 117.31 1i79 s PHE 223 Ca 0.06 0.96 -0.19 0.00 -0.60 0.00 0.00 56.93 57.17 1i79 s PHE 223 Cb -0.13 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 1i79 s PHE 223 CO 0.03 0.36 0.54 1.21 0.70 0.00 0.00 175.22 178.06 1i79 s ASN 224 N -2.01 6.58 0.05 1.36 3.84 -1.26 -1.23 114.94 122.27 1i79 s ASN 224 Ca 0.42 0.70 0.24 0.00 0.21 0.00 0.00 52.86 54.42 1i79 s ASN 224 Cb -0.13 -2.30 0.30 0.00 -0.55 0.00 0.00 41.25 38.57 1i79 s ASN 224 CO 0.20 -0.21 1.26 -0.81 -2.79 0.00 0.00 177.10 174.75 1i79 n PRO 225 N 4.92 0.16 -3.83 0.43 -0.04 -1.26 -5.03 135.00 130.35 1i79 n PRO 225 Ca -0.04 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1i79 n PRO 225 Cb 0.50 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1i79 n PRO 225 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i79 n GLY 227 N -0.21 3.24 3.40 0.00 0.00 -0.44 -4.42 105.19 106.77 1i79 n GLY 227 Ca -0.11 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 1i79 n GLY 227 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i79 s TYR 228 N -2.32 -0.54 -0.03 1.61 5.04 -0.98 -1.07 117.35 119.06 1i79 s TYR 228 Ca 0.00 1.27 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1i79 s TYR 228 Cb 0.00 0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.51 1i79 s TYR 228 CO 0.00 -0.29 0.09 -1.12 -1.34 0.00 0.00 175.55 172.88 1i79 s SER 229 N 0.09 -0.06 0.00 4.32 0.01 -0.54 -0.12 113.70 117.41 1i79 s SER 229 Ca -0.01 0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.20 1i79 s SER 229 Cb -0.03 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.40 1i79 s SER 229 CO 0.01 -0.08 0.31 0.00 0.41 0.00 0.00 173.24 173.89 1i79 s MET 230 N -0.18 0.70 -0.01 12.44 0.23 -0.06 -0.27 119.30 132.14 1i79 s MET 230 Ca -0.02 -0.28 0.05 0.00 -1.03 0.00 0.00 55.69 54.41 1i79 s MET 230 Cb -0.02 0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 1i79 s MET 230 CO 0.00 -0.20 -0.18 -0.80 -2.03 0.00 0.00 175.02 171.81 1i79 s ASN 231 N -1.52 2.09 0.04 -1.18 0.02 -0.59 -1.86 114.94 111.94 1i79 s ASN 231 Ca -0.11 -0.32 0.04 0.00 -1.02 0.00 0.00 52.86 51.45 1i79 s ASN 231 Cb -0.04 -0.24 -0.02 0.00 0.02 0.00 0.00 41.25 40.97 1i79 s ASN 231 CO 0.02 0.22 -0.13 -0.83 0.02 0.00 0.00 177.10 176.40 1i79 s GLY 232 N -0.41 0.73 -0.08 0.66 0.00 0.15 -1.39 107.32 106.98 1i79 s GLY 232 Ca 0.07 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.91 1i79 s GLY 232 CO -0.01 -0.78 0.24 1.06 0.00 0.00 0.00 173.10 173.62 1i79 s MET 233 N -1.16 0.32 0.17 2.90 -1.94 -0.53 -1.22 119.30 117.84 1i79 s MET 233 Ca 0.00 0.26 0.08 0.00 -1.71 0.00 0.00 55.69 54.32 1i79 s MET 233 Cb -0.08 0.15 -0.04 0.00 2.01 0.00 0.00 34.83 36.87 1i79 s MET 233 CO 0.01 -0.05 -0.04 0.15 -0.01 0.00 0.00 175.02 175.08 1i79 s LYS 234 N -0.05 2.26 0.51 2.03 1.02 -0.01 0.23 119.74 125.73 1i79 s LYS 234 Ca -0.02 -1.17 0.25 0.00 0.02 0.00 0.00 55.97 55.06 1i79 s LYS 234 Cb -0.02 -2.28 1.36 0.00 -0.52 0.00 0.00 37.83 36.37 1i79 s LYS 234 CO 0.01 0.45 1.95 0.66 -0.92 0.00 0.00 175.35 177.49 1i79 h SER 235 N 2.82 0.07 0.00 2.83 4.64 -1.88 -1.49 113.55 120.54 1i79 h SER 235 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1i79 h SER 235 Cb 1.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1i79 h SER 235 CO 0.56 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1i79 n ASP 236 N -4.37 0.00 0.00 4.97 5.68 -1.26 -4.84 116.55 116.73 1i79 n ASP 236 Ca 0.13 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1i79 n ASP 236 Cb 0.70 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 1i79 n ASP 236 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i79 n GLY 237 N 0.60 0.77 3.75 6.12 0.00 -0.56 -5.06 105.19 110.81 1i79 n GLY 237 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1i79 n GLY 237 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i79 s THR 238 N -2.11 3.77 0.08 2.61 2.01 -1.23 -4.89 115.64 115.89 1i79 s THR 238 Ca 0.00 1.78 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1i79 s THR 238 Cb 0.00 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1i79 s THR 238 CO 0.00 0.43 -0.09 -0.72 -0.69 0.00 0.00 174.62 173.55 1i79 s TYR 239 N -1.17 0.94 -0.03 4.92 -0.85 -1.26 -0.83 117.35 119.08 1i79 s TYR 239 Ca 0.43 -0.67 -0.21 0.00 -0.52 0.00 0.00 57.07 56.09 1i79 s TYR 239 Cb -0.29 -0.53 0.04 0.00 0.38 0.00 0.00 41.96 41.56 1i79 s TYR 239 CO 0.37 -0.05 0.46 1.67 -1.52 0.00 0.00 175.55 176.48 1i79 s TRP 240 N -2.42 -0.37 -0.06 -3.49 1.48 -0.36 -2.35 118.94 111.37 1i79 s TRP 240 Ca 0.03 0.60 -0.08 0.00 -1.06 0.00 0.00 56.10 55.59 1i79 s TRP 240 Cb -0.03 0.22 0.02 0.00 -1.16 0.00 0.00 33.47 32.52 1i79 s TRP 240 CO -0.01 -0.48 0.21 -0.08 -4.06 0.00 0.00 176.95 172.53 1i79 s THR 241 N -1.31 0.03 -0.04 0.66 -1.32 0.44 0.32 115.64 114.41 1i79 s THR 241 Ca -0.12 -0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1i79 s THR 241 Cb -0.03 -0.37 0.02 0.00 -1.51 0.00 0.00 72.50 70.60 1i79 s THR 241 CO 0.06 -0.11 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.67 1i79 s ILE 242 N -0.38 0.64 -0.08 5.08 1.01 -0.77 -1.58 121.20 125.12 1i79 s ILE 242 Ca -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1i79 s ILE 242 Cb -0.03 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1i79 s ILE 242 CO 0.01 0.24 -0.11 -1.00 0.00 0.00 0.00 174.94 174.08 1i79 s HIS 243 N 0.71 1.48 -0.14 3.97 3.76 -1.08 -0.88 115.29 123.11 1i79 s HIS 243 Ca -0.10 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1i79 s HIS 243 Cb -0.13 -1.13 0.01 0.00 1.11 0.00 0.00 32.58 32.44 1i79 s HIS 243 CO 0.01 -0.36 -0.22 0.42 -0.85 0.00 0.00 174.74 173.74 1i79 s ILE 244 N 0.99 2.09 -0.50 0.60 1.01 0.84 -2.03 121.20 124.19 1i79 s ILE 244 Ca -0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1i79 s ILE 244 Cb -0.15 -1.83 0.13 0.00 0.01 0.00 0.00 42.46 40.62 1i79 s ILE 244 CO -0.00 0.55 0.28 -0.89 0.00 0.00 0.00 174.94 174.88 1i79 s THR 245 N 0.78 3.24 -0.44 2.92 2.01 0.88 -2.33 115.64 122.71 1i79 s THR 245 Ca -0.08 -2.60 0.26 0.00 0.31 0.00 0.00 61.69 59.59 1i79 s THR 245 Cb -0.16 -3.19 0.30 0.00 0.01 0.00 0.00 72.50 69.46 1i79 s THR 245 CO -0.01 -0.77 1.77 1.55 -0.69 0.00 0.00 174.62 176.47 1i79 h PRO 246 N 7.41 0.00 -6.38 4.92 0.13 -1.88 0.33 132.00 136.53 1i79 h PRO 246 Ca -0.07 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.45 1i79 h PRO 246 Cb 0.99 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.16 1i79 h PRO 246 CO 0.68 0.00 0.87 0.39 -0.23 0.00 0.00 178.00 179.72 1i79 n GLU 247 N -2.56 1.99 0.03 0.86 4.71 -1.26 -4.74 120.64 119.67 1i79 n GLU 247 Ca 0.03 0.72 0.16 0.00 -0.01 0.00 0.00 57.16 58.06 1i79 n GLU 247 Cb 0.36 -2.50 0.63 0.00 -1.01 0.00 0.00 31.44 28.92 1i79 n GLU 247 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1i79 h PRO 248 N 7.01 0.10 0.00 3.49 0.13 -1.97 0.25 132.00 141.01 1i79 h PRO 248 Ca -0.47 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1i79 h PRO 248 Cb 1.27 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1i79 h PRO 248 CO 0.90 0.07 -0.11 0.93 -0.23 0.00 0.00 178.00 179.56 1i79 h GLU 249 N 0.10 0.00 -0.15 0.86 3.07 -1.98 -3.34 114.58 113.14 1i79 h GLU 249 Ca 0.21 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.87 1i79 h GLU 249 Cb 0.69 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.37 1i79 h GLU 249 CO -0.02 0.11 -0.55 1.97 -1.40 0.00 0.00 179.01 179.11 1i79 n PHE 250 N -3.27 -1.01 -1.65 4.33 1.16 -0.85 -5.12 117.46 111.05 1i79 n PHE 250 Ca 0.00 -1.88 -0.45 0.00 -1.87 0.00 0.00 57.45 53.25 1i79 n PHE 250 Cb 0.35 0.98 -0.02 0.00 -1.61 0.00 0.00 39.48 39.18 1i79 n PHE 250 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1i79 n SER 251 N -1.18 2.37 -3.70 5.98 3.41 0.81 -4.83 113.62 116.48 1i79 n SER 251 Ca -0.09 1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 59.56 1i79 n SER 251 Cb 0.85 -1.40 -0.09 0.00 -0.26 0.00 0.00 64.21 63.32 1i79 n SER 251 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1i79 s TYR 252 N -0.48 -0.59 -0.02 7.33 5.04 0.11 -3.43 117.35 125.31 1i79 s TYR 252 Ca 0.64 1.39 0.01 0.00 -2.44 0.00 0.00 57.07 56.67 1i79 s TYR 252 Cb -0.66 0.23 0.02 0.00 0.35 0.00 0.00 41.96 41.90 1i79 s TYR 252 CO 0.55 -0.29 -0.01 0.08 -1.34 0.00 0.00 175.55 174.54 1i79 s VAL 253 N 0.53 0.19 0.04 3.14 1.01 0.13 -0.08 120.40 125.36 1i79 s VAL 253 Ca -0.02 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.09 1i79 s VAL 253 Cb -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1i79 s VAL 253 CO -0.03 0.13 -0.25 -0.94 0.00 0.00 0.00 175.10 174.01 1i79 s SER 254 N 0.79 3.25 -0.03 3.32 1.04 -0.86 0.03 113.70 121.24 1i79 s SER 254 Ca -0.08 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.79 1i79 s SER 254 Cb -0.11 -0.33 0.02 0.00 0.10 0.00 0.00 66.02 65.69 1i79 s SER 254 CO -0.01 0.26 -0.04 0.12 0.98 0.00 0.00 173.24 174.55 1i79 s PHE 255 N -0.82 0.58 -0.03 5.02 5.36 -0.08 -2.65 117.98 125.36 1i79 s PHE 255 Ca 0.12 -0.13 -0.05 0.00 -0.96 0.00 0.00 56.93 55.91 1i79 s PHE 255 Cb -0.10 -0.51 0.01 0.00 -0.34 0.00 0.00 43.02 42.08 1i79 s PHE 255 CO 0.02 -0.12 0.13 -2.00 -1.46 0.00 0.00 175.22 171.79 1i79 s GLU 256 N 0.62 0.26 0.09 10.12 2.12 -0.61 0.04 118.70 131.33 1i79 s GLU 256 Ca -0.07 -0.03 -0.25 0.00 0.36 0.00 0.00 54.97 54.97 1i79 s GLU 256 Cb -0.11 0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.48 1i79 s GLU 256 CO -0.00 -0.05 0.69 -0.08 -0.54 0.00 0.00 175.26 175.28 1i79 s THR 257 N -0.45 0.00 -0.29 -1.70 -1.32 -0.44 -0.42 115.64 111.02 1i79 s THR 257 Ca -0.05 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.57 1i79 s THR 257 Cb -0.03 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.34 1i79 s THR 257 CO 0.01 0.00 1.29 -0.46 -2.21 0.00 0.00 174.62 173.24 1i79 n ASN 258 N -0.19 3.17 -4.66 8.08 6.94 -0.99 -0.67 115.26 126.95 1i79 n ASN 258 Ca -0.15 -2.74 -0.49 0.00 -0.02 0.00 0.00 54.58 51.18 1i79 n ASN 258 Cb 0.63 -0.41 -0.05 0.00 -2.36 0.00 0.00 39.78 37.60 1i79 n ASN 258 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1i79 n LEU 259 N -0.52 2.78 -4.71 -4.53 7.94 -1.26 -4.60 117.00 112.10 1i79 n LEU 259 Ca 0.16 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.71 1i79 n LEU 259 Cb 0.68 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.26 1i79 n LEU 259 CO 0.09 -0.43 0.78 -0.55 -1.11 0.00 0.00 177.39 176.18 1i79 s SER 260 N 1.57 7.23 -0.02 1.96 0.15 -1.26 -4.92 113.70 118.41 1i79 s SER 260 Ca 0.84 1.77 -0.09 0.00 0.70 0.00 0.00 55.95 59.17 1i79 s SER 260 Cb -0.77 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 60.98 1i79 s SER 260 CO 0.44 -0.38 0.20 -1.10 1.20 0.00 0.00 173.24 173.60 1i79 s GLN 261 N 1.26 0.48 0.14 5.44 -1.52 -1.26 -5.04 119.66 119.16 1i79 s GLN 261 Ca 0.54 -0.20 -0.02 0.00 -1.95 0.00 0.00 55.36 53.72 1i79 s GLN 261 Cb -0.24 0.21 -0.06 0.00 -0.22 0.00 0.00 33.01 32.70 1i79 s GLN 261 CO 0.27 -0.11 1.33 1.15 -0.25 0.00 0.00 175.29 177.67 1i79 h THR 262 N 4.28 1.42 -3.23 -0.19 2.02 -1.96 -3.38 112.91 111.88 1i79 h THR 262 Ca -0.29 -2.47 -0.22 0.00 0.77 0.00 0.00 66.41 64.20 1i79 h THR 262 Cb 1.19 2.41 -0.30 0.00 -1.74 0.00 0.00 68.15 69.71 1i79 h THR 262 CO 0.40 0.73 -0.56 -0.55 0.37 0.00 0.00 175.52 175.91 1i79 s SER 263 N -7.04 -0.16 0.00 4.18 0.15 -1.26 -4.78 113.70 104.79 1i79 s SER 263 Ca -0.05 0.35 0.21 0.00 0.70 0.00 0.00 55.95 57.17 1i79 s SER 263 Cb 0.09 0.27 0.73 0.00 -1.71 0.00 0.00 66.02 65.40 1i79 s SER 263 CO 0.86 -0.13 1.54 -1.22 1.20 0.00 0.00 173.24 175.49 1i79 n TYR 264 N 3.91 0.22 0.06 3.44 4.02 -1.26 -4.39 117.16 123.15 1i79 n TYR 264 Ca -0.23 -0.11 -0.11 0.00 -0.01 0.00 0.00 57.90 57.44 1i79 n TYR 264 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.81 1i79 n TYR 264 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i79 h ASP 265 N 2.41 -0.47 -0.42 7.72 3.45 -1.99 -0.04 116.42 127.10 1i79 h ASP 265 Ca 0.00 0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.55 1i79 h ASP 265 Cb 0.53 0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.46 1i79 h ASP 265 CO 0.00 -0.22 0.24 0.44 -1.57 0.00 0.00 179.24 178.13 1i79 h ASP 266 N -0.28 0.39 -0.13 6.45 3.32 -2.00 -0.77 116.42 123.41 1i79 h ASP 266 Ca 0.05 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1i79 h ASP 266 Cb 0.33 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1i79 h ASP 266 CO -0.14 0.28 0.04 0.25 -1.72 0.00 0.00 179.24 177.94 1i79 h LEU 267 N 0.49 0.18 -1.03 1.55 5.85 -1.78 -0.93 115.31 119.63 1i79 h LEU 267 Ca 0.17 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1i79 h LEU 267 Cb 0.02 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1i79 h LEU 267 CO -0.08 0.33 0.65 0.40 -0.34 0.00 0.00 178.44 179.40 1i79 h ILE 268 N 0.02 1.16 -0.48 4.05 2.04 -0.86 -0.99 117.51 122.45 1i79 h ILE 268 Ca 0.04 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1i79 h ILE 268 Cb 0.22 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 1i79 h ILE 268 CO -0.00 0.23 0.20 -0.09 0.00 0.00 0.00 178.15 178.49 1i79 h ARG 269 N 1.24 0.70 -0.23 2.37 2.43 -0.91 -1.05 114.38 118.93 1i79 h ARG 269 Ca 0.40 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1i79 h ARG 269 Cb 0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1i79 h ARG 269 CO -0.13 0.62 0.09 0.87 -1.51 0.00 0.00 179.97 179.91 1i79 h LYS 270 N 0.63 0.36 -0.06 0.20 1.79 -0.40 -1.44 116.57 117.65 1i79 h LYS 270 Ca 0.16 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1i79 h LYS 270 Cb 0.17 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1i79 h LYS 270 CO -0.02 0.41 0.04 0.28 -1.08 0.00 0.00 179.45 179.08 1i79 h VAL 271 N 0.22 1.03 -0.67 0.50 2.07 -1.07 -1.45 116.25 116.89 1i79 h VAL 271 Ca 0.08 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1i79 h VAL 271 Cb 0.19 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1i79 h VAL 271 CO -0.01 0.03 0.44 0.58 0.02 0.00 0.00 177.57 178.64 1i79 h VAL 272 N 0.05 1.11 -0.18 2.57 2.07 -1.13 -1.85 116.25 118.90 1i79 h VAL 272 Ca 0.02 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1i79 h VAL 272 Cb 0.02 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1i79 h VAL 272 CO -0.00 0.15 -0.46 -0.33 0.02 0.00 0.00 177.57 176.95 1i79 h GLU 273 N 0.83 0.45 -0.22 1.57 5.08 -0.88 0.12 114.58 121.52 1i79 h GLU 273 Ca 0.26 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1i79 h GLU 273 Cb 0.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1i79 h GLU 273 CO -0.07 0.82 -0.42 0.28 -1.00 0.00 0.00 179.01 178.62 1i79 h VAL 274 N 0.36 1.32 0.00 3.13 2.07 -0.58 -3.35 116.25 119.20 1i79 h VAL 274 Ca 0.02 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1i79 h VAL 274 Cb 0.95 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1i79 h VAL 274 CO 0.08 0.51 -1.42 0.49 0.02 0.00 0.00 177.57 177.26 1i79 n PHE 275 N -4.20 0.58 -3.65 1.57 3.01 -0.76 -5.00 117.46 109.02 1i79 n PHE 275 Ca -0.05 0.17 -0.28 0.00 1.01 0.00 0.00 57.45 58.29 1i79 n PHE 275 Cb 0.55 -0.78 0.03 0.00 -0.01 0.00 0.00 39.48 39.28 1i79 n PHE 275 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1i79 n LYS 276 N -2.51 -1.22 -2.37 -1.08 5.02 0.41 -3.90 118.16 112.50 1i79 n LYS 276 Ca -0.02 0.58 -0.32 0.00 -2.02 0.00 0.00 58.31 56.53 1i79 n LYS 276 Cb 0.57 -4.02 -0.03 0.00 -0.02 0.00 0.00 35.03 31.52 1i79 n LYS 276 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1i79 s PRO 277 N -5.63 3.92 0.12 1.97 0.04 -1.26 -1.51 135.00 132.65 1i79 s PRO 277 Ca 0.38 0.96 0.14 0.00 0.04 0.00 0.00 61.00 62.52 1i79 s PRO 277 Cb -0.14 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1i79 s PRO 277 CO 0.86 -0.30 1.05 0.78 0.04 0.00 0.00 177.00 179.43 1i79 h GLY 278 N 0.87 0.00 -3.40 0.56 0.00 -0.51 -3.45 103.07 97.14 1i79 h GLY 278 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1i79 h GLY 278 CO 0.61 0.00 0.04 -1.59 0.00 0.00 0.00 176.54 175.60 1i79 s LYS 279 N -2.84 1.08 -0.06 4.80 -2.85 -1.15 -0.50 119.74 118.21 1i79 s LYS 279 Ca -0.01 -0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 1i79 s LYS 279 Cb 0.08 0.49 0.11 0.00 -2.06 0.00 0.00 37.83 36.46 1i79 s LYS 279 CO 0.80 -0.41 0.95 -0.59 0.10 0.00 0.00 175.35 176.19 1i79 s PHE 280 N -3.00 -0.33 0.12 1.78 -0.12 -0.74 -1.60 117.98 114.09 1i79 s PHE 280 Ca -0.02 0.30 0.08 0.00 -0.05 0.00 0.00 56.93 57.24 1i79 s PHE 280 Cb -0.00 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1i79 s PHE 280 CO -0.06 -0.46 -0.20 0.14 -0.05 0.00 0.00 175.22 174.59 1i79 s VAL 281 N -2.56 1.73 0.06 -2.49 -7.23 -0.32 -0.31 120.40 109.28 1i79 s VAL 281 Ca 0.04 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1i79 s VAL 281 Cb -0.01 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1i79 s VAL 281 CO -0.06 -0.16 -0.16 0.42 -0.31 0.00 0.00 175.10 174.84 1i79 s THR 282 N -1.49 1.24 -0.02 5.32 -4.23 0.71 -1.01 115.64 116.15 1i79 s THR 282 Ca 0.10 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1i79 s THR 282 Cb -0.08 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1i79 s THR 282 CO 0.05 -0.10 -0.09 0.42 -0.54 0.00 0.00 174.62 174.37 1i79 s THR 283 N -1.09 0.73 -0.04 3.99 -4.23 -0.58 -1.48 115.64 112.94 1i79 s THR 283 Ca 0.01 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1i79 s THR 283 Cb -0.09 -0.65 0.03 0.00 1.34 0.00 0.00 72.50 73.13 1i79 s THR 283 CO 0.02 0.23 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.10 1i79 s LEU 284 N 0.11 0.99 -0.09 4.79 2.96 0.09 -1.39 118.68 126.13 1i79 s LEU 284 Ca -0.02 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1i79 s LEU 284 Cb -0.07 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 1i79 s LEU 284 CO 0.00 -0.12 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.42 1i79 s PHE 285 N 1.32 2.79 -0.11 5.38 0.40 -0.20 -1.47 117.98 126.08 1i79 s PHE 285 Ca -0.05 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.88 1i79 s PHE 285 Cb -0.13 -1.74 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1i79 s PHE 285 CO -0.02 0.03 0.24 0.08 0.70 0.00 0.00 175.22 176.24 1i79 s VAL 286 N -0.23 -0.25 0.55 -0.44 1.01 -0.72 -1.18 120.40 119.14 1i79 s VAL 286 Ca 0.01 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1i79 s VAL 286 Cb -0.13 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1i79 s VAL 286 CO 0.03 0.10 0.82 0.54 0.00 0.00 0.00 175.10 176.58 1i79 s ASN 287 N 1.93 5.47 0.03 3.32 2.20 -0.67 -0.63 114.94 126.59 1i79 s ASN 287 Ca -0.03 0.36 0.02 0.00 -0.94 0.00 0.00 52.86 52.27 1i79 s ASN 287 Cb -0.11 -1.35 0.12 0.00 -2.00 0.00 0.00 41.25 37.90 1i79 s ASN 287 CO -0.08 -1.05 1.03 0.00 -2.94 0.00 0.00 177.10 174.06 1i79 n GLN 288 N -2.42 0.01 -0.00 3.55 1.13 -1.21 -1.69 117.38 116.74 1i79 n GLN 288 Ca 0.05 0.48 0.07 0.00 -1.94 0.00 0.00 57.00 55.66 1i79 n GLN 288 Cb 0.59 -1.58 -0.09 0.00 0.11 0.00 0.00 30.24 29.26 1i79 n GLN 288 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1i79 n SER 289 N -1.55 0.88 -4.74 1.08 7.64 -1.26 -5.02 113.62 110.65 1i79 n SER 289 Ca -0.00 -0.66 -0.37 0.00 1.01 0.00 0.00 58.87 58.85 1i79 n SER 289 Cb 0.04 1.16 0.06 0.00 -1.01 0.00 0.00 64.21 64.46 1i79 n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1i79 s SER 290 N -2.72 4.89 -0.01 6.43 0.15 -0.68 -4.40 113.70 117.35 1i79 s SER 290 Ca 0.03 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1i79 s SER 290 Cb 0.11 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.81 1i79 s SER 290 CO 0.62 -1.82 0.82 0.29 1.20 0.00 0.00 173.24 174.35 1i79 n LYS 291 N -1.54 1.05 -2.32 5.44 4.76 -1.26 -3.87 118.16 120.41 1i79 n LYS 291 Ca 0.14 -0.07 -0.26 0.00 -2.87 0.00 0.00 58.31 55.24 1i79 n LYS 291 Cb 0.47 -1.22 0.01 0.00 -1.84 0.00 0.00 35.03 32.44 1i79 n LYS 291 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i79 s ARG 293 N -3.57 3.60 0.56 0.00 1.81 -1.25 -5.02 118.95 115.07 1i79 s ARG 293 Ca 0.49 -2.09 -0.18 0.00 -1.72 0.00 0.00 55.73 52.22 1i79 s ARG 293 Cb 0.40 -4.67 -0.08 0.00 -0.45 0.00 0.00 34.95 30.15 1i79 s ARG 293 CO -0.12 -1.54 0.61 -0.35 -0.68 0.00 0.00 175.30 173.21 1i79 n PRO 299 N 5.30 0.59 -3.82 3.54 -0.04 -1.26 -5.16 135.00 134.15 1i79 n PRO 299 Ca 0.19 0.23 -0.24 0.00 -0.04 0.00 0.00 63.50 63.64 1i79 n PRO 299 Cb 0.48 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 1i79 n PRO 299 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1i79 s GLN 300 N -2.16 3.46 0.00 0.54 -0.21 -1.26 -5.09 119.66 114.95 1i79 s GLN 300 Ca 0.69 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 55.49 1i79 s GLN 300 Cb -0.45 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 30.70 1i79 s GLN 300 CO 0.53 0.40 0.00 1.17 -2.12 0.00 0.00 175.29 175.27 1i79 n LYS 301 N -1.15 0.00 -2.26 2.91 4.81 -1.26 -4.95 118.16 116.26 1i79 n LYS 301 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.36 1i79 n LYS 301 Cb 0.56 -0.07 -0.01 0.00 0.02 0.00 0.00 35.03 35.53 1i79 n LYS 301 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1i79 n ILE 302 N -1.61-12.06 -2.25 3.15 2.08 -1.26 -4.79 119.36 102.62 1i79 n ILE 302 Ca 0.00 2.73 -0.41 0.00 0.56 0.00 0.00 62.75 65.63 1i79 n ILE 302 Cb 0.00 -5.87 -0.03 0.00 -0.75 0.00 0.00 39.64 32.99 1i79 n ILE 302 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1i79 s GLU 303 N -0.77 4.44 0.00 0.38 2.02 -1.26 -3.13 118.70 120.38 1i79 s GLU 303 Ca -0.07 2.04 0.00 0.00 0.02 0.00 0.00 54.97 56.97 1i79 s GLU 303 Cb 0.00 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1i79 s GLU 303 CO 0.18 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1i79 n GLY 304 N 1.52 1.02 3.16 -1.39 0.00 -1.26 -5.04 105.19 103.19 1i79 n GLY 304 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1i79 n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i79 s PHE 305 N -2.45 1.52 -0.18 1.61 0.40 -1.18 -2.88 117.98 114.82 1i79 s PHE 305 Ca 0.00 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.90 1i79 s PHE 305 Cb 0.00 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.50 1i79 s PHE 305 CO 0.00 -0.03 0.30 0.21 0.70 0.00 0.00 175.22 176.40 1i79 s LYS 306 N -0.38 4.22 -0.51 0.44 2.20 0.86 -4.84 119.74 121.73 1i79 s LYS 306 Ca 0.06 0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1i79 s LYS 306 Cb -0.07 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1i79 s LYS 306 CO -0.01 0.16 1.20 0.50 -0.36 0.00 0.00 175.35 176.84 1i79 s ARG 307 N 0.72 3.62 -0.05 4.03 3.52 -1.26 -1.48 118.95 128.04 1i79 s ARG 307 Ca 0.16 0.51 -0.25 0.00 -0.13 0.00 0.00 55.73 56.02 1i79 s ARG 307 Cb -0.13 -3.96 -0.23 0.00 -1.56 0.00 0.00 34.95 29.06 1i79 s ARG 307 CO 0.05 -1.52 1.04 -0.07 -0.81 0.00 0.00 175.30 173.98 1i79 h LEU 308 N 11.65 0.19 -8.23 -0.88 3.38 -1.00 -3.48 115.31 116.95 1i79 h LEU 308 Ca -0.24 -0.76 -0.18 0.00 0.09 0.00 0.00 57.88 56.79 1i79 h LEU 308 Cb 1.07 -0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 1i79 h LEU 308 CO 1.14 0.92 -0.70 -1.81 0.09 0.00 0.00 178.44 178.09 1i79 s ASP 309 N -6.25 0.67 -0.25 -0.43 1.01 -1.13 -4.98 116.67 105.30 1i79 s ASP 309 Ca -0.16 -0.82 -0.03 0.00 0.71 0.00 0.00 52.55 52.25 1i79 s ASP 309 Cb 0.01 0.12 0.14 0.00 1.01 0.00 0.00 42.92 44.20 1i79 s ASP 309 CO 0.73 -0.44 0.42 0.00 0.21 0.00 0.00 175.17 176.10 1i79 s GLN 311 N 2.61 1.27 0.08 0.00 -0.21 0.55 -4.99 119.66 118.96 1i79 s GLN 311 Ca 0.14 -1.38 0.03 0.00 0.02 0.00 0.00 55.36 54.16 1i79 s GLN 311 Cb -0.15 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.46 1i79 s GLN 311 CO -0.17 0.28 -0.08 -1.12 -2.12 0.00 0.00 175.29 172.08 1i79 s SER 312 N -2.56 1.15 -0.00 5.90 0.01 -1.26 -0.44 113.70 116.49 1i79 s SER 312 Ca 0.15 -0.78 -0.24 0.00 1.31 0.00 0.00 55.95 56.39 1i79 s SER 312 Cb -0.06 0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.26 1i79 s SER 312 CO 0.06 -0.31 0.53 0.00 0.41 0.00 0.00 173.24 173.94 1i79 s ALA 313 N -2.45 -1.35 -0.25 1.44 0.00 0.07 -4.98 121.76 114.24 1i79 s ALA 313 Ca 0.02 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 1i79 s ALA 313 Cb -0.03 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1i79 s ALA 313 CO -0.01 -0.40 -0.02 -1.64 0.00 0.00 0.00 175.76 173.69 1i79 s MET 314 N -1.74 3.03 0.00 0.00 -1.94 -1.26 0.16 119.30 117.55 1i79 s MET 314 Ca -0.09 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 1i79 s MET 314 Cb -0.01 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.74 1i79 s MET 314 CO 0.04 -0.36 0.00 1.19 -0.01 0.00 0.00 175.02 175.88 1i79 n PHE 315 N 4.75 -2.43 -0.02 -0.03 3.72 0.63 -5.01 117.46 119.06 1i79 n PHE 315 Ca -0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.23 1i79 n PHE 315 Cb 0.48 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1i79 n PHE 315 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1i79 n ASN 316 N -2.60 -0.05 -0.00 4.37 4.13 -1.26 -3.92 115.26 115.93 1i79 n ASN 316 Ca 0.00 0.99 0.02 0.00 1.68 0.00 0.00 54.58 57.27 1i79 n ASN 316 Cb 0.00 -0.47 -0.02 0.00 -1.54 0.00 0.00 39.78 37.75 1i79 n ASN 316 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1i79 n ASP 317 N -3.07 3.48 -4.90 6.41 9.92 -1.26 -5.05 116.55 122.09 1i79 n ASP 317 Ca 0.00 -0.11 -0.33 0.00 -0.53 0.00 0.00 54.79 53.82 1i79 n ASP 317 Cb 0.01 1.11 -0.05 0.00 -0.64 0.00 0.00 41.12 41.56 1i79 n ASP 317 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1i79 s TYR 318 N -2.03 3.54 -0.08 1.24 1.51 -1.25 -3.36 117.35 116.91 1i79 s TYR 318 Ca -0.01 0.46 -0.07 0.00 -1.01 0.00 0.00 57.07 56.44 1i79 s TYR 318 Cb 0.02 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1i79 s TYR 318 CO 0.13 0.58 0.18 -0.80 -1.11 0.00 0.00 175.55 174.53 1i79 s ASN 319 N -2.05 6.43 0.05 2.29 0.01 0.20 -0.27 114.94 121.59 1i79 s ASN 319 Ca 0.31 0.50 0.05 0.00 -0.71 0.00 0.00 52.86 53.01 1i79 s ASN 319 Cb -0.13 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 1i79 s ASN 319 CO 0.21 0.37 -0.15 0.12 -1.51 0.00 0.00 177.10 176.14 1i79 s PHE 320 N -1.10 1.26 -0.03 2.20 5.36 0.12 -1.76 117.98 124.03 1i79 s PHE 320 Ca 0.19 -0.38 -0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1i79 s PHE 320 Cb -0.13 -0.74 0.03 0.00 -0.34 0.00 0.00 43.02 41.84 1i79 s PHE 320 CO 0.08 0.05 0.02 0.08 -1.46 0.00 0.00 175.22 173.99 1i79 s VAL 321 N -0.94 0.04 -0.06 3.12 1.01 -0.54 -0.75 120.40 122.28 1i79 s VAL 321 Ca 0.01 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1i79 s VAL 321 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1i79 s VAL 321 CO 0.02 0.13 -0.18 0.12 0.00 0.00 0.00 175.10 175.18 1i79 s PHE 322 N 1.26 2.60 0.00 5.22 5.36 0.41 -0.73 117.98 132.10 1i79 s PHE 322 Ca -0.07 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 1i79 s PHE 322 Cb -0.13 -1.64 -0.01 0.00 -0.34 0.00 0.00 43.02 40.90 1i79 s PHE 322 CO -0.03 -0.01 -0.02 0.99 -1.46 0.00 0.00 175.22 174.69 1i79 s THR 323 N -0.39 0.12 -0.06 0.12 2.01 -0.55 -0.33 115.64 116.56 1i79 s THR 323 Ca 0.04 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1i79 s THR 323 Cb -0.12 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1i79 s THR 323 CO 0.02 -0.09 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.13 1i79 s SER 324 N -0.35 2.44 0.15 3.53 0.15 -0.40 -0.21 113.70 119.01 1i79 s SER 324 Ca -0.03 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.27 1i79 s SER 324 Cb -0.03 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1i79 s SER 324 CO -0.00 0.14 -0.14 -0.36 1.20 0.00 0.00 173.24 174.08 1i79 s PHE 325 N 0.22 1.52 -0.10 3.44 0.40 0.58 -0.30 117.98 123.73 1i79 s PHE 325 Ca -0.10 -0.57 -0.10 0.00 -0.60 0.00 0.00 56.93 55.56 1i79 s PHE 325 Cb -0.14 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1i79 s PHE 325 CO 0.04 0.21 0.28 0.00 0.70 0.00 0.00 175.22 176.45 1i79 s ALA 326 N -2.46 -0.68 1.01 5.36 0.00 -0.55 -1.79 121.76 122.65 1i79 s ALA 326 Ca 0.14 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.76 1i79 s ALA 326 Cb -0.03 -0.45 0.20 0.00 0.00 0.00 0.00 23.12 22.83 1i79 s ALA 326 CO 0.04 -0.13 1.08 0.21 0.00 0.00 0.00 175.76 176.96 1i79 s LYS 327 N 0.16 0.29 0.00 0.00 2.20 0.34 -0.10 119.74 122.63 1i79 s LYS 327 Ca -0.00 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1i79 s LYS 327 Cb -0.02 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.61 1i79 s LYS 327 CO 0.00 -2.93 0.00 1.63 -0.36 0.00 0.00 175.35 173.69