#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 4.98 -0.49 1.61 1.04 -1.26 -5.08 113.70 114.51 1why s SER 75 Ca 0.00 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.20 1why s SER 75 Cb 0.00 -1.29 0.04 0.00 0.10 0.00 0.00 66.02 64.87 1why s SER 75 CO 0.00 0.31 0.77 -0.44 0.98 0.00 0.00 173.24 174.86 1why s SER 76 N -1.33 6.34 -0.21 7.02 0.01 -1.26 -5.00 113.70 119.26 1why s SER 76 Ca 0.17 -0.39 -0.10 0.00 1.31 0.00 0.00 55.95 56.94 1why s SER 76 Cb -0.11 -2.37 0.08 0.00 0.21 0.00 0.00 66.02 63.83 1why s SER 76 CO 0.07 -0.98 0.49 -0.83 0.41 0.00 0.00 173.24 172.41 1why s GLY 77 N 2.43 -0.44 -1.55 3.44 0.00 -1.26 -4.91 107.32 105.02 1why s GLY 77 Ca 0.26 1.78 -0.15 0.00 0.00 0.00 0.00 44.72 46.61 1why s GLY 77 CO 0.19 2.23 0.79 1.44 0.00 0.00 0.00 173.10 177.75 1why n SER 78 N 4.80 -3.96 -4.48 1.64 7.64 -1.26 -4.95 113.62 113.06 1why n SER 78 Ca -0.16 -0.78 -0.27 0.00 1.01 0.00 0.00 58.87 58.66 1why n SER 78 Cb 0.53 -3.21 -0.09 0.00 -1.01 0.00 0.00 64.21 60.43 1why n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1why s SER 79 N -3.15 3.25 0.00 6.43 0.01 -1.26 -5.15 113.70 113.83 1why s SER 79 Ca 0.64 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1why s SER 79 Cb -0.34 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1why s SER 79 CO 0.79 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1why n GLY 80 N -0.96 1.05 3.19 3.44 0.00 -1.26 -5.16 105.19 105.50 1why n GLY 80 Ca -0.08 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 1why n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1why s LYS 81 N 0.00 2.67 -0.07 1.61 -2.85 -1.26 -5.10 119.74 114.75 1why s LYS 81 Ca 0.00 -0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 1why s LYS 81 Cb 0.00 -2.09 -0.04 0.00 -2.06 0.00 0.00 37.83 33.64 1why s LYS 81 CO 0.00 0.20 1.46 0.42 0.10 0.00 0.00 175.35 177.53 1why s ILE 82 N 0.28 3.82 -0.89 3.79 1.01 -1.26 -4.96 121.20 122.98 1why s ILE 82 Ca -0.15 1.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.46 1why s ILE 82 Cb -0.16 -3.69 0.23 0.00 0.01 0.00 0.00 42.46 38.85 1why s ILE 82 CO 0.07 -0.06 0.83 -0.83 0.00 0.00 0.00 174.94 174.95 1why s GLY 83 N 2.49 2.84 -0.80 6.18 0.00 -1.26 -4.95 107.32 111.82 1why s GLY 83 Ca 0.65 -3.50 0.02 0.00 0.00 0.00 0.00 44.72 41.88 1why s GLY 83 CO 0.24 1.26 0.71 2.98 0.00 0.00 0.00 173.10 178.29 1why n TYR 84 N 3.44 3.69 -2.73 1.90 9.36 -1.26 -4.86 117.16 126.70 1why n TYR 84 Ca 0.17 -4.13 -0.08 0.00 3.32 0.00 0.00 57.90 57.18 1why n TYR 84 Cb 0.43 -0.87 0.07 0.00 -0.63 0.00 0.00 39.34 38.35 1why n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1why n GLY 85 N 1.89 -0.09 3.55 2.98 0.00 -1.26 -5.15 105.19 107.11 1why n GLY 85 Ca 0.23 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 1why n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1why n LYS 86 N 1.11 0.72 -4.09 1.61 0.00 -1.26 -5.00 118.16 111.25 1why n LYS 86 Ca 0.06 0.28 -0.29 0.00 0.00 0.00 0.00 58.31 58.36 1why n LYS 86 Cb 0.67 -1.95 -0.07 0.00 0.00 0.00 0.00 35.03 33.68 1why n LYS 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1why s ALA 87 N -1.60 3.44 0.18 3.14 0.00 -1.26 -5.11 121.76 120.55 1why s ALA 87 Ca 0.73 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 1why s ALA 87 Cb -0.43 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 1why s ALA 87 CO 0.50 0.68 0.78 -0.80 0.00 0.00 0.00 175.76 176.93 1why s ASN 88 N -2.50 7.36 0.51 0.00 -0.87 -1.26 -5.01 114.94 113.17 1why s ASN 88 Ca 0.28 1.64 -0.21 0.00 -1.57 0.00 0.00 52.86 53.00 1why s ASN 88 Cb -0.11 -2.50 -0.07 0.00 -0.02 0.00 0.00 41.25 38.55 1why s ASN 88 CO 0.21 0.18 1.14 -2.16 -2.57 0.00 0.00 177.10 173.90 1why s PRO 89 N -1.28 3.53 -0.07 -0.60 0.04 -1.26 -4.73 135.00 130.63 1why s PRO 89 Ca 0.37 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 1why s PRO 89 Cb -0.22 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.22 1why s PRO 89 CO 0.26 -0.72 0.73 -0.08 0.04 0.00 0.00 177.00 177.23 1why s THR 90 N -1.68 0.00 0.51 1.26 -1.32 -1.26 -5.02 115.64 108.13 1why s THR 90 Ca 0.69 0.00 0.38 0.00 -1.21 0.00 0.00 61.69 61.55 1why s THR 90 Cb -0.26 -1.00 0.59 0.00 -1.51 0.00 0.00 72.50 70.32 1why s THR 90 CO 0.30 0.00 1.66 0.71 -2.21 0.00 0.00 174.62 175.08 1why h THR 91 N 2.96 0.18 -3.42 5.08 1.35 -1.84 -3.38 112.91 113.85 1why h THR 91 Ca -0.26 -0.02 -0.53 0.00 -0.55 0.00 0.00 66.41 65.06 1why h THR 91 Cb 1.14 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 1why h THR 91 CO 0.37 0.01 0.44 -0.60 -0.25 0.00 0.00 175.52 175.49 1why s ARG 92 N -5.07 4.56 -0.01 4.72 6.06 -1.26 -2.59 118.95 125.37 1why s ARG 92 Ca -0.06 1.58 0.04 0.00 -2.50 0.00 0.00 55.73 54.79 1why s ARG 92 Cb 0.27 -3.38 -0.01 0.00 0.06 0.00 0.00 34.95 31.89 1why s ARG 92 CO 0.84 -0.02 -0.14 -0.51 -2.50 0.00 0.00 175.30 172.97 1why s LEU 93 N 0.53 2.01 -0.12 -0.88 1.43 -0.17 -3.34 118.68 118.14 1why s LEU 93 Ca 0.52 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 1why s LEU 93 Cb -0.25 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 1why s LEU 93 CO 0.30 0.17 0.40 0.86 0.23 0.00 0.00 176.35 178.32 1why s TRP 94 N -0.29 3.52 -0.18 0.29 -0.00 -1.19 -1.38 118.94 119.71 1why s TRP 94 Ca 0.05 0.80 0.00 0.00 -0.00 0.00 0.00 56.10 56.95 1why s TRP 94 Cb -0.06 -2.45 0.04 0.00 -0.00 0.00 0.00 33.47 31.00 1why s TRP 94 CO -0.00 0.25 -0.10 0.08 -0.00 0.00 0.00 176.95 177.18 1why s VAL 95 N 0.36 1.51 0.37 5.86 1.01 0.29 -2.98 120.40 126.82 1why s VAL 95 Ca 0.22 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1why s VAL 95 Cb -0.15 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1why s VAL 95 CO 0.08 0.23 0.07 -0.83 0.00 0.00 0.00 175.10 174.66 1why s GLY 96 N 1.47 2.36 -0.07 4.51 0.00 -0.30 0.16 107.32 115.44 1why s GLY 96 Ca 0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 1why s GLY 96 CO -0.09 -1.88 0.06 0.61 0.00 0.00 0.00 173.10 171.81 1why n GLY 97 N -0.83 0.56 4.01 0.20 0.00 -1.15 -1.27 105.19 106.71 1why n GLY 97 Ca -0.05 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -1.95 3.41 0.00 0.99 1.43 -1.25 -4.66 118.68 116.65 1why s LEU 98 Ca 0.01 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1why s LEU 98 Cb -0.01 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1why s LEU 98 CO 0.04 -1.04 0.20 0.61 0.23 0.00 0.00 176.35 176.39 1why n GLY 99 N -2.07 3.18 0.25 -3.19 0.00 -1.26 -5.00 105.19 97.10 1why n GLY 99 Ca 0.11 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1why n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 100 N 0.00 0.76 -0.29 1.61 0.13 -2.00 -3.22 132.00 128.99 1why h PRO 100 Ca -0.22 -0.40 -0.05 0.00 -0.87 0.00 0.00 66.00 64.46 1why h PRO 100 Cb 1.02 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1why h PRO 100 CO 0.34 1.03 0.01 -0.91 -0.23 0.00 0.00 178.00 178.23 1why h ASN 101 N 0.62 0.50 -1.85 1.44 4.21 -2.05 -3.43 115.58 115.02 1why h ASN 101 Ca 0.05 -0.30 -0.66 0.00 1.21 0.00 0.00 56.30 56.59 1why h ASN 101 Cb 0.96 -0.13 0.02 0.00 -1.12 0.00 0.00 38.32 38.05 1why h ASN 101 CO 0.09 0.68 1.03 0.41 -1.29 0.00 0.00 177.43 178.35 1why n THR 102 N -4.59 0.48 -4.25 2.81 -1.04 -1.22 -4.96 114.28 101.52 1why n THR 102 Ca -0.03 -0.09 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 1why n THR 102 Cb 0.25 -1.63 -0.09 0.00 -1.82 0.00 0.00 70.33 67.04 1why n THR 102 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1why s SER 103 N 3.89 4.81 0.12 8.00 0.15 -1.26 -4.80 113.70 124.60 1why s SER 103 Ca 0.95 -0.19 -0.28 0.00 0.70 0.00 0.00 55.95 57.13 1why s SER 103 Cb -0.84 -1.11 -0.07 0.00 -1.71 0.00 0.00 66.02 62.29 1why s SER 103 CO 0.57 0.22 1.61 0.25 1.20 0.00 0.00 173.24 177.09 1why h LEU 104 N 3.86 -0.97 -1.00 3.45 5.85 -1.99 -1.57 115.31 122.95 1why h LEU 104 Ca -0.48 0.12 0.38 0.00 0.84 0.00 0.00 57.88 58.73 1why h LEU 104 Cb 1.17 0.38 -0.18 0.00 0.37 0.00 0.00 40.66 42.40 1why h LEU 104 CO 0.56 -0.40 0.42 0.00 -0.34 0.00 0.00 178.44 178.69 1why h ALA 105 N 0.16 1.92 -0.00 1.25 0.00 -1.99 0.06 119.26 120.66 1why h ALA 105 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1why h ALA 105 Cb 0.57 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1why h ALA 105 CO -0.23 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.18 1why n ALA 106 N -2.46 -0.35 -0.37 0.00 0.00 -0.62 -2.82 120.51 113.88 1why n ALA 106 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 1why n ALA 106 Cb 1.14 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.61 1why n ALA 106 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1why h LEU 107 N 0.00 -1.49 -0.87 0.00 3.38 -0.99 0.47 115.31 115.81 1why h LEU 107 Ca 0.00 0.30 0.22 0.00 0.09 0.00 0.00 57.88 58.50 1why h LEU 107 Cb 0.00 0.76 -0.15 0.00 0.09 0.00 0.00 40.66 41.36 1why h LEU 107 CO 0.00 -0.29 0.05 0.00 0.09 0.00 0.00 178.44 178.30 1why h ALA 108 N 1.24 1.02 -0.38 1.53 0.00 -1.11 0.66 119.26 122.23 1why h ALA 108 Ca 0.31 0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.40 1why h ALA 108 Cb 0.58 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1why h ALA 108 CO -0.95 -0.49 -0.19 -0.09 0.00 0.00 0.00 179.25 177.54 1why h ARG 109 N 0.09 0.73 0.46 0.00 1.12 0.04 0.29 114.38 117.11 1why h ARG 109 Ca 0.51 -0.27 -0.02 0.00 -1.11 0.00 0.00 59.98 59.09 1why h ARG 109 Cb 0.99 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1why h ARG 109 CO -0.77 0.87 -0.22 0.93 -3.11 0.00 0.00 179.97 177.67 1why h GLU 110 N 0.65 -0.60 -0.35 0.20 3.07 0.13 -3.10 114.58 114.59 1why h GLU 110 Ca 0.10 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.04 1why h GLU 110 Cb 0.67 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1why h GLU 110 CO 0.05 -0.40 0.23 0.74 -1.40 0.00 0.00 179.01 178.24 1why h PHE 111 N -0.87 0.29 -0.00 4.33 -1.00 -0.65 0.02 116.94 119.06 1why h PHE 111 Ca -0.06 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1why h PHE 111 Cb 0.48 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1why h PHE 111 CO 0.04 0.17 0.00 0.22 -1.61 0.00 0.00 178.31 177.13 1why h ASP 112 N 0.30 0.00 -0.97 2.17 1.82 -0.93 -2.03 116.42 116.78 1why h ASP 112 Ca 0.15 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.85 1why h ASP 112 Cb 0.21 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.16 1why h ASP 112 CO -0.03 0.00 0.63 0.08 -1.61 0.00 0.00 179.24 178.30 1why h ARG 113 N 0.00 1.12 0.23 0.28 0.11 -0.90 -3.19 114.38 112.02 1why h ARG 113 Ca 0.00 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 1why h ARG 113 Cb 0.00 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 30.83 1why h ARG 113 CO -0.00 0.74 -0.11 0.74 0.10 0.00 0.00 179.97 181.44 1why h PHE 114 N 1.15 -0.29 -0.32 4.08 0.04 -1.54 -3.50 116.94 116.57 1why h PHE 114 Ca 0.42 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.18 1why h PHE 114 Cb 0.14 0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1why h PHE 114 CO -0.01 -0.18 0.00 0.41 -0.60 0.00 0.00 178.31 177.93 1why n GLY 115 N 0.50 5.09 3.84 -1.45 0.00 -1.20 -5.00 105.19 106.97 1why n GLY 115 Ca -0.04 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1why n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1why s SER 116 N 1.13 6.78 -0.19 1.61 1.04 -1.26 -4.34 113.70 118.48 1why s SER 116 Ca 0.00 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.35 1why s SER 116 Cb 0.00 -2.24 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1why s SER 116 CO 0.00 0.26 -0.06 -0.63 0.98 0.00 0.00 173.24 173.78 1why s ILE 117 N -1.21 3.38 -0.07 -1.02 1.01 -1.26 -3.44 121.20 118.59 1why s ILE 117 Ca 0.28 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1why s ILE 117 Cb -0.16 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1why s ILE 117 CO 0.16 0.46 0.18 -0.09 0.00 0.00 0.00 174.94 175.65 1why h ARG 118 N 7.50 -0.14 -3.26 2.79 2.43 -1.01 -3.49 114.38 119.21 1why h ARG 118 Ca -0.36 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1why h ARG 118 Cb 1.18 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.63 1why h ARG 118 CO 0.60 -0.09 -0.04 -0.08 -1.51 0.00 0.00 179.97 178.85 1why s THR 119 N -1.98 0.06 -0.01 0.20 -1.32 -1.26 -5.02 115.64 106.30 1why s THR 119 Ca -0.02 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1why s THR 119 Cb 0.00 -1.11 0.01 0.00 -1.51 0.00 0.00 72.50 69.90 1why s THR 119 CO 0.06 -0.26 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.58 1why s ILE 120 N -3.53 0.12 -0.20 5.08 1.01 -1.26 -3.36 121.20 119.06 1why s ILE 120 Ca 0.01 0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 1why s ILE 120 Cb 0.01 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.28 1why s ILE 120 CO -0.10 0.08 0.40 -0.62 0.00 0.00 0.00 174.94 174.70 1why s ASP 121 N 0.42 6.45 -0.43 3.58 2.15 -1.23 -4.92 116.67 122.69 1why s ASP 121 Ca -0.04 0.54 -0.12 0.00 0.43 0.00 0.00 52.55 53.36 1why s ASP 121 Cb -0.06 -2.23 0.06 0.00 -0.30 0.00 0.00 42.92 40.39 1why s ASP 121 CO -0.01 -0.07 0.29 -1.38 -0.17 0.00 0.00 175.17 173.83 1why s HIS 122 N 1.26 3.28 -0.11 -5.34 -3.43 -1.26 -3.96 115.29 105.73 1why s HIS 122 Ca 0.19 -1.19 0.01 0.00 -0.80 0.00 0.00 55.06 53.28 1why s HIS 122 Cb -0.15 -2.90 -0.02 0.00 -1.43 0.00 0.00 32.58 28.09 1why s HIS 122 CO 0.08 -0.78 -0.14 0.08 -2.00 0.00 0.00 174.74 171.98 1why s VAL 123 N 1.53 3.03 -0.11 -5.38 1.01 -1.17 -5.03 120.40 114.27 1why s VAL 123 Ca 0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1why s VAL 123 Cb -0.22 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1why s VAL 123 CO 0.05 0.54 -0.12 0.50 0.00 0.00 0.00 175.10 176.07 1why h LYS 124 N 6.43 0.00 -0.16 2.72 1.63 -1.96 -2.76 116.57 122.47 1why h LYS 124 Ca -0.30 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.53 1why h LYS 124 Cb 1.20 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 1why h LYS 124 CO 0.54 0.00 -0.30 0.78 -3.45 0.00 0.00 179.45 177.02 1why h GLY 125 N -0.81 -1.39 1.11 5.01 0.00 -2.00 -2.49 103.07 102.50 1why h GLY 125 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 47.33 47.95 1why h GLY 125 CO 0.00 -0.39 -0.14 -0.55 0.00 0.00 0.00 176.54 175.46 1why h ASP 126 N -0.26 1.04 -3.40 0.19 3.32 -2.01 -3.48 116.42 111.82 1why h ASP 126 Ca 0.03 -0.36 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 1why h ASP 126 Cb 0.34 -0.28 0.06 0.00 0.22 0.00 0.00 39.33 39.67 1why h ASP 126 CO -0.29 1.16 -0.26 -1.20 -1.72 0.00 0.00 179.24 176.93 1why n SER 127 N -4.13 -2.56 -4.25 6.45 7.64 -0.94 -4.89 113.62 110.94 1why n SER 127 Ca 0.01 -0.21 -0.23 0.00 1.01 0.00 0.00 58.87 59.45 1why n SER 127 Cb 0.42 -1.99 -0.09 0.00 -1.01 0.00 0.00 64.21 61.53 1why n SER 127 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1why s PHE 128 N -3.12 1.81 -0.28 1.43 -0.12 -1.23 -2.96 117.98 113.51 1why s PHE 128 Ca 0.05 -1.17 -0.18 0.00 -0.05 0.00 0.00 56.93 55.59 1why s PHE 128 Cb -0.01 -1.16 0.09 0.00 -0.63 0.00 0.00 43.02 41.32 1why s PHE 128 CO 0.24 -0.21 0.76 0.00 -0.05 0.00 0.00 175.22 175.95 1why s ALA 129 N -3.32 -1.94 -0.23 1.99 0.00 0.41 -3.05 121.76 115.62 1why s ALA 129 Ca 0.30 2.31 -0.06 0.00 0.00 0.00 0.00 51.96 54.52 1why s ALA 129 Cb 0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1why s ALA 129 CO 0.15 -0.36 0.01 0.71 0.00 0.00 0.00 175.76 176.27 1why s TYR 130 N 1.36 3.03 -0.20 0.00 2.02 -1.26 0.10 117.35 122.42 1why s TYR 130 Ca -0.08 -0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 55.95 1why s TYR 130 Cb -0.05 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1why s TYR 130 CO -0.16 -0.40 0.03 0.42 -1.57 0.00 0.00 175.55 173.87 1why s ILE 131 N 1.42 4.26 -0.24 2.71 1.01 -0.48 -3.51 121.20 126.39 1why s ILE 131 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1why s ILE 131 Cb -0.15 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1why s ILE 131 CO 0.01 0.43 0.01 -1.58 0.00 0.00 0.00 174.94 173.81 1why s GLN 132 N 0.80 3.40 -0.19 2.79 2.00 -1.22 -1.00 119.66 126.24 1why s GLN 132 Ca 0.02 -0.62 -0.10 0.00 -2.00 0.00 0.00 55.36 52.66 1why s GLN 132 Cb -0.14 -3.15 -0.05 0.00 0.80 0.00 0.00 33.01 30.47 1why s GLN 132 CO 0.02 -0.24 0.13 0.71 -0.50 0.00 0.00 175.29 175.41 1why s TYR 133 N 1.52 3.41 0.62 1.67 2.02 -1.07 -0.26 117.35 125.26 1why s TYR 133 Ca 0.05 0.33 0.22 0.00 -0.37 0.00 0.00 57.07 57.30 1why s TYR 133 Cb -0.15 -2.14 1.22 0.00 -0.40 0.00 0.00 41.96 40.49 1why s TYR 133 CO -0.00 0.31 1.68 0.93 -1.57 0.00 0.00 175.55 176.89 1why h GLU 134 N 6.57 0.00 -5.32 -0.62 5.08 -1.92 -3.40 114.58 114.97 1why h GLU 134 Ca -0.42 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.55 1why h GLU 134 Cb 1.16 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.22 1why h GLU 134 CO 0.75 0.00 -0.76 0.45 -1.00 0.00 0.00 179.01 178.45 1why s SER 135 N -4.05 1.85 -0.11 1.42 0.15 -1.26 -5.07 113.70 106.64 1why s SER 135 Ca -0.02 -0.78 -0.26 0.00 0.70 0.00 0.00 55.95 55.58 1why s SER 135 Cb 0.06 -0.05 -0.23 0.00 -1.71 0.00 0.00 66.02 64.09 1why s SER 135 CO 0.20 -0.16 0.85 0.25 1.20 0.00 0.00 173.24 175.59 1why h LEU 136 N 3.63 -0.01 -0.49 3.45 6.46 -1.94 -3.22 115.31 123.19 1why h LEU 136 Ca -0.39 -0.80 0.08 0.00 -0.12 0.00 0.00 57.88 56.65 1why h LEU 136 Cb 1.19 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 41.03 1why h LEU 136 CO 0.50 0.82 -0.39 0.44 -0.62 0.00 0.00 178.44 179.19 1why h ASP 137 N -0.88 -1.32 -0.98 1.25 3.32 -1.97 0.20 116.42 116.04 1why h ASP 137 Ca -0.00 0.22 0.19 0.00 0.02 0.00 0.00 57.03 57.46 1why h ASP 137 Cb 0.81 0.61 -0.10 0.00 0.22 0.00 0.00 39.33 40.87 1why h ASP 137 CO 0.00 -0.34 0.61 0.00 -1.72 0.00 0.00 179.24 177.80 1why h ALA 138 N 0.65 1.79 -0.61 3.45 0.00 -1.95 -0.08 119.26 122.51 1why h ALA 138 Ca 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1why h ALA 138 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1why h ALA 138 CO -0.62 -0.13 0.31 0.00 0.00 0.00 0.00 179.25 178.82 1why h ALA 139 N 1.63 0.79 -0.29 0.00 0.00 -0.64 -2.76 119.26 117.98 1why h ALA 139 Ca 0.55 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1why h ALA 139 Cb 0.93 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1why h ALA 139 CO -0.32 0.33 0.19 1.96 0.00 0.00 0.00 179.25 181.41 1why h GLN 140 N 0.84 0.37 0.15 0.00 4.20 -0.09 0.25 115.11 120.83 1why h GLN 140 Ca 0.21 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1why h GLN 140 Cb 0.09 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1why h GLN 140 CO -0.03 0.25 -0.30 0.00 -0.67 0.00 0.00 178.83 178.08 1why h ALA 141 N 1.11 -0.87 -0.21 3.87 0.00 -1.23 -1.99 119.26 119.93 1why h ALA 141 Ca 0.11 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1why h ALA 141 Cb -0.03 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1why h ALA 141 CO -0.03 -0.93 0.08 0.00 0.00 0.00 0.00 179.25 178.37 1why h ALA 142 N -1.08 0.24 -0.98 0.00 0.00 -1.48 0.25 119.26 116.22 1why h ALA 142 Ca -0.02 0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.24 1why h ALA 142 Cb 0.46 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.08 1why h ALA 142 CO -0.12 -0.34 0.39 0.00 0.00 0.00 0.00 179.25 179.18 1why h ALA 144 N 1.92 0.00 -0.65 0.00 0.00 -0.84 -3.03 119.26 116.66 1why h ALA 144 Ca 0.71 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.52 1why h ALA 144 Cb 1.68 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.51 1why h ALA 144 CO -0.74 0.13 -0.56 0.87 0.00 0.00 0.00 179.25 178.95 1why h LYS 145 N -0.68 -0.22 -0.85 0.00 6.56 -0.57 0.28 116.57 121.09 1why h LYS 145 Ca 0.00 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.69 1why h LYS 145 Cb 0.13 0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 31.79 1why h LYS 145 CO 0.00 -0.14 0.55 0.52 -2.06 0.00 0.00 179.45 178.32 1why h MET 146 N -0.22 0.84 -4.87 3.15 2.86 -0.36 -3.43 114.93 112.90 1why h MET 146 Ca 0.11 -0.05 -0.63 0.00 -2.06 0.00 0.00 59.70 57.07 1why h MET 146 Cb 0.51 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1why h MET 146 CO -0.73 0.56 1.03 -2.13 1.06 0.00 0.00 176.91 176.70 1why n ARG 147 N -4.51 0.00 -2.35 1.72 0.63 0.99 -0.72 116.66 112.42 1why n ARG 147 Ca 0.14 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.00 1why n ARG 147 Cb 0.28 -1.22 0.03 0.00 0.45 0.00 0.00 32.46 32.00 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1why n GLY 148 N 5.86 0.08 3.76 5.14 0.00 -0.54 -4.98 105.19 114.50 1why n GLY 148 Ca 0.43 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -3.16 3.57 -2.00 1.61 5.36 0.10 -4.72 117.98 118.76 1why s PHE 149 Ca 0.12 1.72 0.06 0.00 -0.96 0.00 0.00 56.93 57.87 1why s PHE 149 Cb -0.02 -3.22 0.37 0.00 -0.34 0.00 0.00 43.02 39.81 1why s PHE 149 CO 0.30 -0.45 0.83 -0.35 -1.46 0.00 0.00 175.22 174.09 1why n PRO 150 N 1.01 0.49 -0.92 10.12 -0.04 -1.26 -2.66 135.00 141.73 1why n PRO 150 Ca -0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1why n PRO 150 Cb 0.46 -1.20 0.02 0.00 -0.04 0.00 0.00 33.50 32.74 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.70 -3.80 0.00 1.53 7.94 -1.26 -3.18 117.00 117.53 1why n LEU 151 Ca 0.05 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 1why n LEU 151 Cb 0.02 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.31 1why n LEU 151 CO 0.03 -4.31 0.00 0.61 -1.11 0.00 0.00 177.39 172.61 1why n GLY 152 N 2.37 0.24 1.51 -3.96 0.00 -1.26 -4.58 105.19 99.50 1why n GLY 152 Ca 0.03 0.60 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 3.54 0.06 -0.02 0.00 -1.19 -5.05 105.19 102.52 1why n GLY 153 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 1why n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 154 N 0.00 -0.00 -0.23 1.61 0.13 -1.81 -3.31 132.00 128.39 1why h PRO 154 Ca -0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.95 1why h PRO 154 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1why h PRO 154 CO 0.17 0.48 -0.10 0.22 -0.23 0.00 0.00 178.00 178.55 1why h ASP 155 N -0.49 0.49 -1.64 1.44 3.58 -1.94 -3.39 116.42 114.47 1why h ASP 155 Ca -0.00 -0.40 -0.51 0.00 0.42 0.00 0.00 57.03 56.54 1why h ASP 155 Cb 0.49 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.33 1why h ASP 155 CO 0.00 0.78 1.19 -0.13 -2.88 0.00 0.00 179.24 178.20 1why s ARG 156 N -4.63 3.09 0.12 0.28 1.81 -1.25 -4.97 118.95 113.40 1why s ARG 156 Ca -0.14 -0.34 0.08 0.00 -1.72 0.00 0.00 55.73 53.62 1why s ARG 156 Cb 0.07 -4.72 -0.04 0.00 -0.45 0.00 0.00 34.95 29.81 1why s ARG 156 CO 0.77 -2.49 -0.12 1.03 -0.68 0.00 0.00 175.30 173.80 1why s ARG 157 N 5.99 2.01 0.37 3.54 0.52 -1.26 -3.87 118.95 126.26 1why s ARG 157 Ca 0.51 -1.11 -0.26 0.00 -0.52 0.00 0.00 55.73 54.35 1why s ARG 157 Cb -0.06 -2.23 -0.09 0.00 0.52 0.00 0.00 34.95 33.09 1why s ARG 157 CO 0.06 0.49 1.13 -0.51 0.02 0.00 0.00 175.30 176.49 1why s LEU 158 N -2.28 4.26 -0.35 2.53 1.43 -1.09 -4.81 118.68 118.37 1why s LEU 158 Ca 0.21 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 1why s LEU 158 Cb -0.11 -3.97 0.01 0.00 0.03 0.00 0.00 46.19 42.15 1why s LEU 158 CO 0.13 -0.51 0.21 -0.13 0.23 0.00 0.00 176.35 176.27 1why s ARG 159 N -2.16 3.11 -0.17 1.70 1.81 -0.40 -1.47 118.95 121.37 1why s ARG 159 Ca 0.54 -0.89 0.01 0.00 -1.72 0.00 0.00 55.73 53.67 1why s ARG 159 Cb -0.29 -3.72 0.01 0.00 -0.45 0.00 0.00 34.95 30.50 1why s ARG 159 CO 0.37 -0.58 -0.19 0.08 -0.68 0.00 0.00 175.30 174.30 1why s VAL 160 N 1.61 2.20 -0.08 3.52 1.01 -1.26 -1.15 120.40 126.26 1why s VAL 160 Ca 0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1why s VAL 160 Cb -0.18 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1why s VAL 160 CO 0.08 0.53 0.15 -0.62 0.00 0.00 0.00 175.10 175.24 1why s ASP 161 N 1.08 0.41 -0.50 3.32 2.15 -1.16 -4.85 116.67 117.13 1why s ASP 161 Ca -0.00 0.32 -0.45 0.00 0.43 0.00 0.00 52.55 52.84 1why s ASP 161 Cb -0.14 0.24 -0.19 0.00 -0.30 0.00 0.00 42.92 42.52 1why s ASP 161 CO -0.07 -0.21 1.87 0.49 -0.17 0.00 0.00 175.17 177.08 1why n PHE 162 N 4.88 1.47 -2.43 -5.34 3.72 -1.26 -3.17 117.46 115.33 1why n PHE 162 Ca -0.13 0.95 -0.37 0.00 -0.05 0.00 0.00 57.45 57.85 1why n PHE 162 Cb 0.51 -2.27 -0.03 0.00 -0.94 0.00 0.00 39.48 36.75 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why s ALA 163 N 4.51 3.04 -1.30 4.37 0.00 -1.21 -4.86 121.76 126.30 1why s ALA 163 Ca 1.12 0.79 0.16 0.00 0.00 0.00 0.00 51.96 54.03 1why s ALA 163 Cb -1.49 -3.32 0.60 0.00 0.00 0.00 0.00 23.12 18.91 1why s ALA 163 CO 0.74 -0.39 1.48 0.36 0.00 0.00 0.00 175.76 177.95 1why n LYS 164 N -0.25 3.19 -1.54 0.00 -0.00 -1.26 -4.63 118.16 113.68 1why n LYS 164 Ca 0.06 -2.36 -0.54 0.00 -0.00 0.00 0.00 58.31 55.46 1why n LYS 164 Cb 0.49 -1.76 -0.06 0.00 -0.00 0.00 0.00 35.03 33.70 1why n LYS 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1why n SER 165 N 0.95 0.68 -4.79 -5.58 2.88 -1.26 -4.95 113.62 101.55 1why n SER 165 Ca 0.21 1.14 -0.25 0.00 -1.33 0.00 0.00 58.87 58.65 1why n SER 165 Cb 0.74 -1.07 0.08 0.00 -0.75 0.00 0.00 64.21 63.22 1why n SER 165 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1why s GLY 166 N 0.08 1.74 0.00 0.46 0.00 -1.26 -4.94 107.32 103.39 1why s GLY 166 Ca 0.83 -1.19 0.12 0.00 0.00 0.00 0.00 44.72 44.48 1why s GLY 166 CO 0.53 -0.73 1.13 -1.55 0.00 0.00 0.00 173.10 172.47 1why n PRO 167 N -2.90 0.49 -1.43 2.90 -0.04 -1.26 -4.86 135.00 127.90 1why n PRO 167 Ca 0.10 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.99 1why n PRO 167 Cb 0.60 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 1why n PRO 167 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1why n SER 168 N -0.87 0.97 -4.50 3.54 3.41 -1.26 -4.92 113.62 109.98 1why n SER 168 Ca 0.09 0.94 -0.24 0.00 -0.26 0.00 0.00 58.87 59.40 1why n SER 168 Cb 0.04 -0.76 -0.11 0.00 -0.26 0.00 0.00 64.21 63.12 1why n SER 168 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1why s SER 169 N 3.05 3.02 0.00 4.04 0.15 -1.26 -5.24 113.70 117.46 1why s SER 169 Ca 0.93 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1why s SER 169 Cb -1.29 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1why s SER 169 CO 0.68 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.27