#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 2.53 0.22 1.61 0.01 -1.26 -5.03 113.70 111.79 1why s SER 75 Ca 0.00 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.49 1why s SER 75 Cb 0.00 -0.42 0.30 0.00 0.21 0.00 0.00 66.02 66.11 1why s SER 75 CO 0.00 -0.32 1.65 0.28 0.41 0.00 0.00 173.24 175.27 1why h SER 76 N 8.33 -0.33 0.00 2.44 0.02 -2.14 -3.47 113.55 118.40 1why h SER 76 Ca -0.16 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1why h SER 76 Cb 1.13 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1why h SER 76 CO 0.31 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1why n GLY 77 N -1.38 0.70 4.52 -3.77 0.00 -1.26 -4.95 105.19 99.05 1why n GLY 77 Ca 0.09 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1why n GLY 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1why n SER 78 N 2.64 -1.60 -4.35 1.61 3.41 -1.26 -4.90 113.62 109.18 1why n SER 78 Ca 0.00 -1.25 -0.31 0.00 -0.26 0.00 0.00 58.87 57.06 1why n SER 78 Cb 0.00 -1.64 -0.15 0.00 -0.26 0.00 0.00 64.21 62.16 1why n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1why s SER 79 N -3.37 3.23 0.00 4.04 0.15 -1.26 -4.94 113.70 111.55 1why s SER 79 Ca 0.75 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1why s SER 79 Cb -0.44 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1why s SER 79 CO 1.02 0.30 0.00 0.61 1.20 0.00 0.00 173.24 176.37 1why n GLY 80 N 2.16 -0.23 3.58 9.45 0.00 -1.26 -5.04 105.19 113.86 1why n GLY 80 Ca -0.16 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1why n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1why n LYS 81 N -1.95 -6.97 -1.18 1.61 4.76 -1.26 -4.87 118.16 108.30 1why n LYS 81 Ca 0.00 0.80 -0.39 0.00 -2.87 0.00 0.00 58.31 55.85 1why n LYS 81 Cb 0.00 -5.78 -0.01 0.00 -1.84 0.00 0.00 35.03 27.40 1why n LYS 81 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1why n ILE 82 N -4.59 0.76 0.00 -0.18 3.06 -1.26 -4.96 119.36 112.19 1why n ILE 82 Ca -0.13 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.67 1why n ILE 82 Cb 0.61 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.79 1why n ILE 82 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1why n GLY 83 N 2.06 2.31 0.13 4.50 0.00 -1.26 -5.07 105.19 107.85 1why n GLY 83 Ca 0.11 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 1why n GLY 83 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1why n TYR 84 N 0.00 0.30 -0.04 1.61 4.11 -1.26 -5.12 117.16 116.76 1why n TYR 84 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 1why n TYR 84 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 39.34 38.31 1why n TYR 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1why n GLY 85 N 1.40 0.62 3.46 -7.48 0.00 -1.26 -4.93 105.19 97.00 1why n GLY 85 Ca -0.48 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1why n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1why s LYS 86 N -4.06 3.51 -0.21 1.61 2.47 -1.26 -4.96 119.74 116.83 1why s LYS 86 Ca 0.00 -1.54 -0.01 0.00 -1.56 0.00 0.00 55.97 52.86 1why s LYS 86 Cb 0.00 -4.83 0.06 0.00 -1.46 0.00 0.00 37.83 31.60 1why s LYS 86 CO 0.00 -1.81 -0.01 0.00 0.16 0.00 0.00 175.35 173.68 1why s ALA 87 N 3.12 1.47 0.45 3.13 0.00 -1.26 -5.12 121.76 123.55 1why s ALA 87 Ca 0.32 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 1why s ALA 87 Cb -0.07 -1.28 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 1why s ALA 87 CO -0.06 -1.14 1.34 -1.71 0.00 0.00 0.00 175.76 174.19 1why n ASN 88 N 4.86 2.87 -4.77 0.00 5.15 -1.26 -4.91 115.26 117.21 1why n ASN 88 Ca -0.11 1.10 -0.34 0.00 -0.60 0.00 0.00 54.58 54.63 1why n ASN 88 Cb 0.46 -1.55 0.03 0.00 -0.53 0.00 0.00 39.78 38.19 1why n ASN 88 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1why s PRO 89 N -2.38 3.00 0.03 1.20 0.04 -1.26 -4.27 135.00 131.36 1why s PRO 89 Ca 0.62 1.47 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 1why s PRO 89 Cb -0.47 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.14 1why s PRO 89 CO 0.57 -1.10 0.49 -0.08 0.04 0.00 0.00 177.00 176.91 1why s THR 90 N -2.14 0.04 0.54 1.26 -1.32 -1.26 -4.91 115.64 107.84 1why s THR 90 Ca 0.69 -0.29 0.32 0.00 -1.21 0.00 0.00 61.69 61.20 1why s THR 90 Cb -0.22 -0.93 0.49 0.00 -1.51 0.00 0.00 72.50 70.33 1why s THR 90 CO 0.36 -0.16 1.88 0.71 -2.21 0.00 0.00 174.62 175.20 1why h THR 91 N 3.00 0.54 -3.38 5.08 1.35 -1.85 -3.38 112.91 114.27 1why h THR 91 Ca -0.30 -0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 64.96 1why h THR 91 Cb 1.20 0.53 -0.09 0.00 -1.73 0.00 0.00 68.15 68.06 1why h THR 91 CO 0.41 0.00 0.55 -0.60 -0.25 0.00 0.00 175.52 175.64 1why s ARG 92 N -4.98 4.00 -0.02 4.72 3.52 -1.26 -2.60 118.95 122.33 1why s ARG 92 Ca -0.05 0.77 0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1why s ARG 92 Cb 0.22 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1why s ARG 92 CO 0.78 -0.75 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.99 1why s LEU 93 N 3.19 3.42 -0.17 -0.88 1.43 0.15 -3.00 118.68 122.82 1why s LEU 93 Ca 0.37 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1why s LEU 93 Cb -0.14 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1why s LEU 93 CO 0.13 0.30 0.02 0.86 0.23 0.00 0.00 176.35 177.90 1why s TRP 94 N -1.02 3.17 -0.06 0.29 -0.00 -1.14 -1.45 118.94 118.73 1why s TRP 94 Ca 0.18 -0.05 0.04 0.00 -0.00 0.00 0.00 56.10 56.27 1why s TRP 94 Cb -0.11 -2.02 -0.00 0.00 -0.00 0.00 0.00 33.47 31.34 1why s TRP 94 CO 0.08 0.11 -0.19 0.08 -0.00 0.00 0.00 176.95 177.03 1why s VAL 95 N 0.27 1.60 0.17 5.86 1.01 -0.68 -2.39 120.40 126.25 1why s VAL 95 Ca 0.01 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1why s VAL 95 Cb -0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1why s VAL 95 CO 0.01 0.46 -0.02 -0.83 0.00 0.00 0.00 175.10 174.72 1why s GLY 96 N 0.17 1.22 0.00 4.51 0.00 -0.95 -1.71 107.32 110.56 1why s GLY 96 Ca -0.09 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1why s GLY 96 CO 0.04 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.19 1why n GLY 97 N -0.25 1.00 3.79 0.20 0.00 -1.08 -3.53 105.19 105.33 1why n GLY 97 Ca -0.07 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.44 2.90 0.00 0.99 1.43 -1.23 -4.97 118.68 117.36 1why s LEU 98 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1why s LEU 98 Cb 0.00 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1why s LEU 98 CO 0.00 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.45 1why n GLY 99 N -1.39 2.12 0.24 -3.19 0.00 -1.26 -4.70 105.19 97.00 1why n GLY 99 Ca -0.04 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 0.06 1.61 0.13 -1.96 -3.19 132.00 128.65 1why h PRO 100 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1why h PRO 100 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1why h PRO 100 CO 0.00 0.18 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.02 1why h ASN 101 N 0.00 -0.07 -3.14 1.44 2.35 -2.00 -3.45 115.58 110.71 1why h ASN 101 Ca -0.00 -0.46 -0.58 0.00 -0.55 0.00 0.00 56.30 54.71 1why h ASN 101 Cb 0.63 0.02 0.13 0.00 0.05 0.00 0.00 38.32 39.14 1why h ASN 101 CO 0.02 0.44 0.27 0.41 -1.65 0.00 0.00 177.43 176.92 1why n THR 102 N -4.88 2.41 -3.76 2.81 -1.04 -1.21 -4.97 114.28 103.65 1why n THR 102 Ca -0.09 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.06 1why n THR 102 Cb 0.26 -1.27 -0.11 0.00 -1.82 0.00 0.00 70.33 67.39 1why n THR 102 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1why s SER 103 N -0.65 5.71 0.17 8.00 0.01 -1.26 -4.87 113.70 120.82 1why s SER 103 Ca 0.62 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.65 1why s SER 103 Cb -0.56 -2.02 0.08 0.00 0.21 0.00 0.00 66.02 63.73 1why s SER 103 CO 0.58 0.04 1.59 0.25 0.41 0.00 0.00 173.24 176.10 1why h LEU 104 N 7.69 -1.19 -0.18 2.44 7.12 -1.95 -1.80 115.31 127.44 1why h LEU 104 Ca -0.37 0.22 0.04 0.00 0.13 0.00 0.00 57.88 57.90 1why h LEU 104 Cb 1.18 0.57 -0.07 0.00 -0.53 0.00 0.00 40.66 41.80 1why h LEU 104 CO 0.62 -0.32 -0.46 0.00 -0.13 0.00 0.00 178.44 178.16 1why h ALA 105 N 0.83 -0.65 -0.92 1.25 0.00 -1.98 0.21 119.26 118.00 1why h ALA 105 Ca 0.20 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.28 1why h ALA 105 Cb 0.55 0.87 -0.17 0.00 0.00 0.00 0.00 17.79 19.04 1why h ALA 105 CO -0.62 -0.97 -0.24 0.00 0.00 0.00 0.00 179.25 177.42 1why n ALA 106 N -2.98 0.19 0.27 0.00 0.00 -0.70 -0.94 120.51 116.36 1why n ALA 106 Ca -0.04 1.00 -0.12 0.00 0.00 0.00 0.00 53.44 54.28 1why n ALA 106 Cb 0.37 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.63 -0.87 0.00 3.38 -1.05 -2.64 115.31 113.50 1why h LEU 107 Ca 0.43 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.66 1why h LEU 107 Cb 0.66 0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.41 1why h LEU 107 CO -0.94 -0.23 0.08 0.00 0.09 0.00 0.00 178.44 177.44 1why n ALA 108 N -2.70 0.51 0.25 1.53 0.00 -0.03 -0.09 120.51 119.97 1why n ALA 108 Ca -0.10 0.92 -0.14 0.00 0.00 0.00 0.00 53.44 54.12 1why n ALA 108 Cb 0.31 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1why n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1why h ARG 109 N 0.00 -0.63 -0.48 0.00 1.12 -1.05 0.30 114.38 113.64 1why h ARG 109 Ca 0.56 0.04 0.14 0.00 -1.11 0.00 0.00 59.98 59.61 1why h ARG 109 Cb 1.21 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 31.29 1why h ARG 109 CO -0.79 -0.33 0.46 0.93 -3.11 0.00 0.00 179.97 177.13 1why h GLU 110 N -0.93 0.00 0.00 0.20 4.39 -0.12 0.30 114.58 118.42 1why h GLU 110 Ca -0.07 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.41 1why h GLU 110 Cb 0.60 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1why h GLU 110 CO 0.11 0.00 -1.53 0.74 -1.16 0.00 0.00 179.01 177.17 1why h PHE 111 N 0.00 0.00 -0.27 4.33 -1.00 -0.44 -3.36 116.94 116.20 1why h PHE 111 Ca 0.23 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.84 1why h PHE 111 Cb 1.15 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.71 1why h PHE 111 CO 0.00 0.77 -0.49 0.22 -1.61 0.00 0.00 178.31 177.21 1why h ASP 112 N 0.00 0.81 -1.52 2.17 3.58 0.33 -3.11 116.42 118.68 1why h ASP 112 Ca -0.22 -0.41 0.48 0.00 0.42 0.00 0.00 57.03 57.31 1why h ASP 112 Cb 1.78 -0.23 -0.11 0.00 1.72 0.00 0.00 39.33 42.49 1why h ASP 112 CO 0.06 1.16 1.03 0.08 -2.88 0.00 0.00 179.24 178.69 1why h ARG 113 N 0.58 0.04 0.08 0.28 -0.00 -1.33 0.23 114.38 114.26 1why h ARG 113 Ca 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.00 1why h ARG 113 Cb 1.06 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.02 1why h ARG 113 CO 0.10 0.03 -0.04 0.74 -0.00 0.00 0.00 179.97 180.80 1why h PHE 114 N 0.04 -0.10 -1.90 4.08 0.04 -1.78 -3.49 116.94 113.84 1why h PHE 114 Ca 0.85 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.65 1why h PHE 114 Cb 2.96 0.03 -0.20 0.00 2.20 0.00 0.00 35.95 40.95 1why h PHE 114 CO -0.00 0.42 0.40 0.20 -0.60 0.00 0.00 178.31 178.72 1why s GLY 115 N -3.59 -0.42 0.06 -1.45 0.00 0.80 -4.95 107.32 97.77 1why s GLY 115 Ca -0.12 1.55 -0.37 0.00 0.00 0.00 0.00 44.72 45.77 1why s GLY 115 CO 0.46 0.85 1.30 -1.26 0.00 0.00 0.00 173.10 174.45 1why n SER 116 N 0.58 1.36 -4.72 1.64 2.88 -1.26 -4.41 113.62 109.69 1why n SER 116 Ca -0.13 1.13 -0.36 0.00 -1.33 0.00 0.00 58.87 58.17 1why n SER 116 Cb 0.59 -1.14 -0.08 0.00 -0.75 0.00 0.00 64.21 62.83 1why n SER 116 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1why s ILE 117 N 0.46 5.33 0.02 2.46 1.01 -1.26 -3.20 121.20 126.02 1why s ILE 117 Ca 0.86 0.43 -0.27 0.00 0.00 0.00 0.00 60.65 61.68 1why s ILE 117 Cb -1.01 -3.59 -0.16 0.00 0.01 0.00 0.00 42.46 37.71 1why s ILE 117 CO 0.49 0.39 1.23 -0.09 0.00 0.00 0.00 174.94 176.96 1why h ARG 118 N 6.80 -0.67 -2.91 2.79 2.43 -1.78 -3.48 114.38 117.56 1why h ARG 118 Ca -0.40 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1why h ARG 118 Cb 1.16 0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 30.74 1why h ARG 118 CO 0.75 -0.36 0.25 -0.08 -1.51 0.00 0.00 179.97 179.01 1why s THR 119 N -4.85 0.00 -0.01 0.20 -1.32 -1.26 -5.05 115.64 103.35 1why s THR 119 Ca -0.15 -0.05 0.01 0.00 -1.21 0.00 0.00 61.69 60.29 1why s THR 119 Cb 0.02 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1why s THR 119 CO 0.50 0.00 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.26 1why s ILE 120 N -3.68 0.24 0.06 5.08 1.01 -1.26 -2.99 121.20 119.66 1why s ILE 120 Ca 0.02 -0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 1why s ILE 120 Cb -0.01 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 1why s ILE 120 CO -0.11 0.08 0.85 -0.62 0.00 0.00 0.00 174.94 175.14 1why s ASP 121 N 0.09 7.32 -0.31 3.58 2.15 -1.23 -5.02 116.67 123.25 1why s ASP 121 Ca -0.01 1.58 -0.07 0.00 0.43 0.00 0.00 52.55 54.48 1why s ASP 121 Cb -0.03 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 1why s ASP 121 CO -0.00 -0.05 0.09 -2.28 -0.17 0.00 0.00 175.17 172.76 1why s HIS 122 N 0.13 3.17 -0.29 -5.34 5.65 -1.26 -4.66 115.29 112.69 1why s HIS 122 Ca 0.43 -1.05 -0.14 0.00 0.25 0.00 0.00 55.06 54.55 1why s HIS 122 Cb -0.21 -2.27 0.14 0.00 -1.18 0.00 0.00 32.58 29.05 1why s HIS 122 CO 0.26 -0.61 0.86 0.54 -0.65 0.00 0.00 174.74 175.14 1why s VAL 123 N 1.49 -0.43 -0.08 0.89 0.11 -1.26 -5.04 120.40 116.08 1why s VAL 123 Ca 0.02 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1why s VAL 123 Cb -0.18 -1.00 -0.24 0.00 -1.53 0.00 0.00 36.38 33.43 1why s VAL 123 CO 0.03 0.00 0.54 2.29 -3.33 0.00 0.00 175.10 174.63 1why n LYS 124 N 4.69 0.68 0.21 1.54 0.00 -1.26 -4.11 118.16 119.91 1why n LYS 124 Ca -0.14 0.28 -0.08 0.00 -0.00 0.00 0.00 58.31 58.37 1why n LYS 124 Cb 0.54 -1.76 -0.04 0.00 -0.00 0.00 0.00 35.03 33.77 1why n LYS 124 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1why h GLY 125 N 2.54 -0.55 -1.12 2.58 0.00 -1.95 -2.86 103.07 101.71 1why h GLY 125 Ca -0.34 0.20 0.44 0.00 0.00 0.00 0.00 47.33 47.63 1why h GLY 125 CO 0.08 -0.20 0.97 -0.55 0.00 0.00 0.00 176.54 176.84 1why h ASP 126 N -0.55 0.17 -0.82 0.19 5.19 -1.99 -3.44 116.42 115.18 1why h ASP 126 Ca -0.05 0.08 -0.17 0.00 -0.62 0.00 0.00 57.03 56.27 1why h ASP 126 Cb 0.40 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 1why h ASP 126 CO 0.09 -0.09 -0.19 -1.20 -3.12 0.00 0.00 179.24 174.73 1why n SER 127 N -4.45 -3.48 -3.51 6.45 7.64 -1.08 -5.00 113.62 110.20 1why n SER 127 Ca 0.36 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 60.20 1why n SER 127 Cb 1.49 -2.27 -0.04 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.37 -0.52 0.16 1.43 -0.12 -1.26 -2.62 117.98 112.69 1why s PHE 128 Ca 0.00 0.70 -0.06 0.00 -0.05 0.00 0.00 56.93 57.52 1why s PHE 128 Cb 0.00 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 1why s PHE 128 CO 0.00 -0.59 0.20 0.00 -0.05 0.00 0.00 175.22 174.78 1why s ALA 129 N -2.03 0.39 -0.18 1.99 0.00 -0.70 -4.75 121.76 116.48 1why s ALA 129 Ca -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1why s ALA 129 Cb -0.00 0.92 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1why s ALA 129 CO 0.00 -0.60 -0.20 0.71 0.00 0.00 0.00 175.76 175.67 1why s TYR 130 N -4.02 2.78 -0.20 0.00 2.02 -1.26 -1.68 117.35 114.99 1why s TYR 130 Ca 0.22 -1.64 -0.07 0.00 -0.37 0.00 0.00 57.07 55.21 1why s TYR 130 Cb 0.05 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1why s TYR 130 CO 0.02 -0.80 0.07 0.42 -1.57 0.00 0.00 175.55 173.69 1why s ILE 131 N 1.28 4.66 0.07 2.71 1.01 -0.53 -3.53 121.20 126.87 1why s ILE 131 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1why s ILE 131 Cb -0.13 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1why s ILE 131 CO -0.13 0.42 0.13 -1.58 0.00 0.00 0.00 174.94 173.78 1why s GLN 132 N 0.79 3.10 0.11 2.79 2.00 -1.16 -0.68 119.66 126.61 1why s GLN 132 Ca 0.04 -0.59 0.07 0.00 -2.00 0.00 0.00 55.36 52.88 1why s GLN 132 Cb -0.13 -2.85 -0.04 0.00 0.80 0.00 0.00 33.01 30.79 1why s GLN 132 CO 0.02 0.59 -0.19 0.71 -0.50 0.00 0.00 175.29 175.92 1why s TYR 133 N -1.43 1.65 0.49 1.67 1.51 -1.07 -2.29 117.35 117.88 1why s TYR 133 Ca 0.31 -0.45 0.17 0.00 -1.01 0.00 0.00 57.07 56.10 1why s TYR 133 Cb -0.12 -0.89 1.22 0.00 -0.11 0.00 0.00 41.96 42.05 1why s TYR 133 CO 0.24 0.19 2.09 0.93 -1.11 0.00 0.00 175.55 177.89 1why h GLU 134 N 3.92 0.00 -4.65 -0.62 4.39 -1.90 -3.43 114.58 112.29 1why h GLU 134 Ca -0.44 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 58.99 1why h GLU 134 Cb 1.19 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.64 1why h GLU 134 CO 0.43 0.09 -0.73 0.45 -1.16 0.00 0.00 179.01 178.08 1why s SER 135 N -6.91 0.99 0.19 1.42 0.15 -1.26 -5.05 113.70 103.23 1why s SER 135 Ca -0.04 -0.65 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 1why s SER 135 Cb 0.16 0.04 0.11 0.00 -1.71 0.00 0.00 66.02 64.62 1why s SER 135 CO 0.67 -0.25 1.62 0.25 1.20 0.00 0.00 173.24 176.73 1why h LEU 136 N 4.16 0.96 0.08 3.45 6.46 -1.93 -3.06 115.31 125.41 1why h LEU 136 Ca -0.36 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 1why h LEU 136 Cb 1.19 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1why h LEU 136 CO 0.46 1.08 -0.23 0.44 -0.62 0.00 0.00 178.44 179.56 1why h ASP 137 N 0.85 -0.69 -0.86 1.25 3.32 -1.96 -1.70 116.42 116.63 1why h ASP 137 Ca 0.13 0.07 0.22 0.00 0.02 0.00 0.00 57.03 57.47 1why h ASP 137 Cb 0.66 0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 1why h ASP 137 CO 0.05 -0.25 0.21 0.00 -1.72 0.00 0.00 179.24 177.53 1why h ALA 138 N -1.15 1.20 -0.71 3.45 0.00 -1.93 0.24 119.26 120.37 1why h ALA 138 Ca -0.01 0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1why h ALA 138 Cb 0.34 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1why h ALA 138 CO -0.11 -0.45 0.32 0.00 0.00 0.00 0.00 179.25 179.01 1why h ALA 139 N 1.76 0.97 0.39 0.00 0.00 -1.30 -1.82 119.26 119.25 1why h ALA 139 Ca 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 1why h ALA 139 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1why h ALA 139 CO -0.64 -0.12 -0.19 1.96 0.00 0.00 0.00 179.25 180.26 1why h GLN 140 N 0.52 -0.50 -0.56 0.00 4.20 0.35 0.13 115.11 119.25 1why h GLN 140 Ca 0.36 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.22 1why h GLN 140 Cb 0.45 0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.23 1why h GLN 140 CO -0.31 -0.26 -0.25 0.00 -0.67 0.00 0.00 178.83 177.33 1why h ALA 141 N -0.07 0.13 -0.48 3.87 0.00 -0.96 0.56 119.26 122.31 1why h ALA 141 Ca -0.05 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1why h ALA 141 Cb 0.47 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1why h ALA 141 CO 0.09 -0.58 -0.10 0.00 0.00 0.00 0.00 179.25 178.66 1why h ALA 142 N 1.23 0.91 -0.06 0.00 0.00 -1.29 -0.99 119.26 119.07 1why h ALA 142 Ca 0.25 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1why h ALA 142 Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1why h ALA 142 CO -0.63 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.10 1why h ALA 144 N 0.78 -0.61 -0.30 0.00 0.00 -1.00 -1.88 119.26 116.25 1why h ALA 144 Ca 0.07 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1why h ALA 144 Cb 0.31 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1why h ALA 144 CO -0.18 -0.61 -0.54 0.87 0.00 0.00 0.00 179.25 178.79 1why h LYS 145 N -1.09 -0.44 -0.86 0.00 6.56 -1.17 -0.44 116.57 119.14 1why h LYS 145 Ca -0.06 0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.68 1why h LYS 145 Cb 0.54 0.10 -0.08 0.00 -0.57 0.00 0.00 32.23 32.21 1why h LYS 145 CO 0.10 -0.29 0.48 0.52 -2.06 0.00 0.00 179.45 178.20 1why h MET 146 N -0.45 0.72 -4.48 3.15 2.86 -0.75 -3.43 114.93 112.55 1why h MET 146 Ca 0.06 -0.04 -0.60 0.00 -2.06 0.00 0.00 59.70 57.05 1why h MET 146 Cb 0.61 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1why h MET 146 CO -0.52 0.48 0.82 -2.13 1.06 0.00 0.00 176.91 176.62 1why n ARG 147 N -4.78 0.00 -3.04 1.72 0.63 -0.17 0.86 116.66 111.88 1why n ARG 147 Ca 0.16 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.96 1why n ARG 147 Cb 0.36 -1.12 0.05 0.00 0.45 0.00 0.00 32.46 32.20 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 4.71 -0.01 3.77 5.14 0.00 -0.13 -4.97 105.19 113.71 1why n GLY 148 Ca 0.35 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.21 2.84 -2.00 1.61 5.36 0.25 -4.65 117.98 118.18 1why s PHE 149 Ca 0.19 1.35 0.06 0.00 -0.96 0.00 0.00 56.93 57.57 1why s PHE 149 Cb -0.09 -3.77 0.39 0.00 -0.34 0.00 0.00 43.02 39.21 1why s PHE 149 CO 0.45 -2.26 0.84 -0.35 -1.46 0.00 0.00 175.22 172.44 1why n PRO 150 N 0.47 0.49 -0.86 10.12 -0.04 -1.26 -2.64 135.00 141.27 1why n PRO 150 Ca 0.02 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 1why n PRO 150 Cb 0.42 -1.21 0.01 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.71 -2.45 0.00 1.53 7.94 -1.26 -3.94 117.00 118.11 1why n LEU 151 Ca 0.05 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 1why n LEU 151 Cb 0.02 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.38 1why n LEU 151 CO 0.04 -3.24 0.00 0.61 -1.11 0.00 0.00 177.39 173.69 1why n GLY 152 N 1.71 1.24 3.88 -3.96 0.00 -1.26 -4.59 105.19 102.20 1why n GLY 152 Ca 0.06 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.31 1why n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1why s GLY 153 N 0.00 2.50 0.00 -0.02 0.00 -1.25 -5.01 107.32 103.55 1why s GLY 153 Ca 0.00 -1.06 0.14 0.00 0.00 0.00 0.00 44.72 43.80 1why s GLY 153 CO 0.00 -1.99 1.46 -1.55 0.00 0.00 0.00 173.10 171.01 1why n PRO 154 N -1.68 0.00 -0.13 2.90 -0.04 -1.26 -3.12 135.00 131.67 1why n PRO 154 Ca -0.05 0.26 -0.23 0.00 -0.04 0.00 0.00 63.50 63.43 1why n PRO 154 Cb 0.65 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 1why n PRO 154 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1why n ASP 155 N -1.51 1.97 -4.57 3.54 8.00 -1.26 -4.75 116.55 117.97 1why n ASP 155 Ca 0.03 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 1why n ASP 155 Cb 0.17 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1why s ARG 156 N -2.51 3.62 0.01 -1.24 0.52 -1.18 -4.96 118.95 113.20 1why s ARG 156 Ca -0.36 -1.45 -0.03 0.00 -0.52 0.00 0.00 55.73 53.36 1why s ARG 156 Cb 0.11 -5.41 -0.04 0.00 0.52 0.00 0.00 34.95 30.13 1why s ARG 156 CO 0.56 -2.44 0.22 1.03 0.02 0.00 0.00 175.30 174.69 1why s ARG 157 N 4.90 3.48 0.52 3.54 0.52 -1.26 -4.29 118.95 126.36 1why s ARG 157 Ca 0.53 -0.26 -0.18 0.00 -0.52 0.00 0.00 55.73 55.29 1why s ARG 157 Cb 0.01 -3.07 -0.07 0.00 0.52 0.00 0.00 34.95 32.34 1why s ARG 157 CO 0.00 0.65 1.03 -0.51 0.02 0.00 0.00 175.30 176.49 1why s LEU 158 N -2.00 3.71 -0.30 2.53 1.43 -1.08 -4.83 118.68 118.14 1why s LEU 158 Ca 0.29 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.24 1why s LEU 158 Cb -0.13 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.63 1why s LEU 158 CO 0.19 -0.84 -0.01 -0.13 0.23 0.00 0.00 176.35 175.80 1why s ARG 159 N -3.62 1.71 -0.20 1.70 1.81 -1.23 -0.95 118.95 118.17 1why s ARG 159 Ca 0.64 -1.59 -0.01 0.00 -1.72 0.00 0.00 55.73 53.05 1why s ARG 159 Cb -0.15 -2.99 0.01 0.00 -0.45 0.00 0.00 34.95 31.37 1why s ARG 159 CO 0.26 -0.79 -0.13 0.08 -0.68 0.00 0.00 175.30 174.04 1why s VAL 160 N 1.04 2.60 -0.02 3.52 1.01 -1.26 -2.24 120.40 125.05 1why s VAL 160 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1why s VAL 160 Cb -0.19 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1why s VAL 160 CO -0.08 0.49 -0.01 -0.62 0.00 0.00 0.00 175.10 174.88 1why s ASP 161 N 1.37 0.45 0.20 3.32 2.15 -1.01 -4.68 116.67 118.47 1why s ASP 161 Ca 0.05 -0.05 -0.30 0.00 0.43 0.00 0.00 52.55 52.68 1why s ASP 161 Cb -0.14 -0.19 -0.16 0.00 -0.30 0.00 0.00 42.92 42.13 1why s ASP 161 CO -0.09 -0.05 0.86 0.49 -0.17 0.00 0.00 175.17 176.21 1why n PHE 162 N 3.77 0.52 -0.05 -5.34 3.72 -1.26 -2.90 117.46 115.92 1why n PHE 162 Ca -0.23 0.84 -0.10 0.00 -0.05 0.00 0.00 57.45 57.91 1why n PHE 162 Cb 0.53 -2.13 -0.09 0.00 -0.94 0.00 0.00 39.48 36.85 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why h ALA 163 N 2.03 -0.03 -5.90 4.37 0.00 -1.83 -3.45 119.26 114.45 1why h ALA 163 Ca -0.37 -0.34 -0.40 0.00 0.00 0.00 0.00 54.91 53.80 1why h ALA 163 Cb 1.39 0.01 0.11 0.00 0.00 0.00 0.00 17.79 19.30 1why h ALA 163 CO 0.62 -0.05 -0.72 1.17 0.00 0.00 0.00 179.25 180.26 1why n LYS 164 N -4.70 -7.07 -1.86 0.00 4.81 -1.26 -4.91 118.16 103.16 1why n LYS 164 Ca -0.07 0.78 -0.29 0.00 -0.87 0.00 0.00 58.31 57.86 1why n LYS 164 Cb 0.33 -5.77 0.04 0.00 0.02 0.00 0.00 35.03 29.65 1why n LYS 164 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1why n SER 165 N -3.01 5.89 -0.77 3.14 3.41 -1.26 -5.01 113.62 116.00 1why n SER 165 Ca -0.07 -3.76 0.10 0.00 -0.26 0.00 0.00 58.87 54.88 1why n SER 165 Cb 0.59 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1why n SER 165 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1why n GLY 166 N -0.74 -2.09 0.00 5.00 0.00 -1.26 -4.08 105.19 102.02 1why n GLY 166 Ca 0.50 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 45.29 1why n GLY 166 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 167 N -3.23 0.38 -3.96 1.61 -0.04 -1.26 -4.86 135.00 123.65 1why n PRO 167 Ca -0.01 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1why n PRO 167 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1why n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1why n SER 168 N -1.11 -3.62 -0.07 3.54 2.88 -1.26 -4.89 113.62 109.10 1why n SER 168 Ca 0.10 -0.86 -0.20 0.00 -1.33 0.00 0.00 58.87 56.58 1why n SER 168 Cb 0.08 -3.58 -0.12 0.00 -0.75 0.00 0.00 64.21 59.83 1why n SER 168 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1why h SER 169 N -1.91 0.10 0.00 -3.46 0.87 -1.94 -3.55 113.55 103.66 1why h SER 169 Ca -0.59 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.26 1why h SER 169 Cb 1.38 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1why h SER 169 CO 0.68 1.43 0.00 0.61 -0.53 0.00 0.00 176.83 179.02