#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 4.93 -0.26 1.61 0.15 -1.26 -5.10 113.70 113.78 1why s SER 75 Ca 0.00 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.64 1why s SER 75 Cb 0.00 -1.29 0.14 0.00 -1.71 0.00 0.00 66.02 63.17 1why s SER 75 CO 0.00 0.34 0.45 -0.55 1.20 0.00 0.00 173.24 174.68 1why s SER 76 N -1.06 -0.29 0.00 5.45 0.15 -1.26 -5.14 113.70 111.55 1why s SER 76 Ca 0.15 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1why s SER 76 Cb -0.11 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 1why s SER 76 CO 0.04 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1why n GLY 77 N 5.39 -2.80 3.36 9.45 0.00 -1.26 -5.05 105.19 114.27 1why n GLY 77 Ca -0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1why n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1why s SER 78 N -1.91 -0.50 -0.12 1.61 0.15 -1.26 -5.08 113.70 106.59 1why s SER 78 Ca 0.00 0.95 -0.06 0.00 0.70 0.00 0.00 55.95 57.54 1why s SER 78 Cb 0.00 0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 1why s SER 78 CO 0.00 -0.17 -0.11 -1.28 1.20 0.00 0.00 173.24 172.89 1why h SER 79 N 5.67 0.00 0.00 5.45 0.87 -2.04 -3.51 113.55 120.00 1why h SER 79 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1why h SER 79 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1why h SER 79 CO 0.22 0.61 0.00 0.61 -0.53 0.00 0.00 176.83 177.75 1why n GLY 80 N 1.69 3.05 0.16 5.77 0.00 -1.26 -5.02 105.19 109.57 1why n GLY 80 Ca -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1why n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1why h LYS 81 N 0.00 -0.10 -5.12 1.61 1.57 -2.06 -3.39 116.57 109.07 1why h LYS 81 Ca 0.00 0.01 -0.66 0.00 -1.87 0.00 0.00 60.65 58.13 1why h LYS 81 Cb 0.00 0.02 -0.27 0.00 0.08 0.00 0.00 32.23 32.06 1why h LYS 81 CO 0.00 -0.07 -0.74 -1.50 -0.57 0.00 0.00 179.45 176.57 1why s ILE 82 N -6.17 3.23 -0.44 1.86 2.07 -1.26 -5.05 121.20 115.43 1why s ILE 82 Ca -0.14 -0.56 0.05 0.00 -1.41 0.00 0.00 60.65 58.59 1why s ILE 82 Cb 0.11 -2.42 0.18 0.00 0.13 0.00 0.00 42.46 40.45 1why s ILE 82 CO 0.68 0.47 0.54 -0.83 -1.91 0.00 0.00 174.94 173.88 1why s GLY 83 N 1.04 -0.35 0.20 1.50 0.00 -1.26 -5.14 107.32 103.31 1why s GLY 83 Ca -0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.56 1why s GLY 83 CO -0.01 3.06 0.52 -2.52 0.00 0.00 0.00 173.10 174.15 1why s TYR 84 N 0.92 -0.08 0.00 1.90 -0.85 -1.26 -5.18 117.35 112.80 1why s TYR 84 Ca 0.26 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 1why s TYR 84 Cb -0.03 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1why s TYR 84 CO -0.08 -0.93 0.00 0.41 -1.52 0.00 0.00 175.55 173.43 1why n GLY 85 N -0.34 2.21 3.53 5.49 0.00 -1.26 -5.07 105.19 109.74 1why n GLY 85 Ca -0.09 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.42 0.44 -4.01 1.61 3.00 -1.26 -4.89 118.16 112.63 1why n LYS 86 Ca 0.00 -0.21 -0.35 0.00 -0.00 0.00 0.00 58.31 57.75 1why n LYS 86 Cb 0.00 -2.51 -0.09 0.00 0.00 0.00 0.00 35.03 32.43 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 9.53 3.46 0.31 3.14 0.00 -1.26 -5.09 121.76 131.85 1why s ALA 87 Ca 1.14 -0.73 -0.27 0.00 0.00 0.00 0.00 51.96 52.09 1why s ALA 87 Cb -0.58 -1.89 -0.10 0.00 0.00 0.00 0.00 23.12 20.55 1why s ALA 87 CO 0.34 0.27 0.94 -0.80 0.00 0.00 0.00 175.76 176.52 1why s ASN 88 N 0.07 7.39 -0.09 0.00 0.01 -1.26 -4.98 114.94 116.08 1why s ASN 88 Ca 0.06 1.86 -0.30 0.00 -0.71 0.00 0.00 52.86 53.77 1why s ASN 88 Cb -0.12 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 1why s ASN 88 CO 0.01 -0.03 1.52 -2.16 -1.51 0.00 0.00 177.10 174.93 1why s PRO 89 N -1.91 4.19 0.04 -0.60 0.04 -1.26 -4.45 135.00 131.06 1why s PRO 89 Ca 0.49 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.58 1why s PRO 89 Cb -0.20 -3.91 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 1why s PRO 89 CO 0.25 -0.81 -0.14 -0.08 0.04 0.00 0.00 177.00 176.27 1why s THR 90 N 3.88 1.07 0.42 1.26 -1.32 -1.26 -5.02 115.64 114.67 1why s THR 90 Ca 0.67 -1.05 0.27 0.00 -1.21 0.00 0.00 61.69 60.37 1why s THR 90 Cb -0.29 -0.99 0.46 0.00 -1.51 0.00 0.00 72.50 70.17 1why s THR 90 CO 0.25 -0.06 1.64 0.71 -2.21 0.00 0.00 174.62 174.95 1why h THR 91 N 4.47 0.18 -3.61 5.08 1.35 -1.83 -3.39 112.91 115.16 1why h THR 91 Ca -0.38 -0.05 -0.51 0.00 -0.55 0.00 0.00 66.41 64.92 1why h THR 91 Cb 1.18 0.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1why h THR 91 CO 0.43 0.03 0.49 -0.60 -0.25 0.00 0.00 175.52 175.62 1why s ARG 92 N -5.36 4.59 -0.07 4.72 3.52 -1.26 -2.91 118.95 122.17 1why s ARG 92 Ca -0.08 1.77 0.01 0.00 -0.13 0.00 0.00 55.73 57.30 1why s ARG 92 Cb 0.29 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 30.46 1why s ARG 92 CO 0.81 0.08 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.81 1why s LEU 93 N -0.64 1.25 0.14 -0.88 1.43 0.31 -3.53 118.68 116.76 1why s LEU 93 Ca 0.49 -0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 53.16 1why s LEU 93 Cb -0.31 -0.63 -0.08 0.00 0.03 0.00 0.00 46.19 45.20 1why s LEU 93 CO 0.37 -0.07 0.70 0.86 0.23 0.00 0.00 176.35 178.44 1why s TRP 94 N 1.22 3.84 -0.05 0.29 -0.00 -1.17 -1.95 118.94 121.12 1why s TRP 94 Ca -0.05 1.48 0.01 0.00 -0.00 0.00 0.00 56.10 57.54 1why s TRP 94 Cb -0.14 -2.66 0.02 0.00 -0.00 0.00 0.00 33.47 30.69 1why s TRP 94 CO -0.02 0.52 -0.04 0.08 -0.00 0.00 0.00 176.95 177.49 1why s VAL 95 N -1.18 0.51 0.00 5.86 1.01 -0.88 -3.02 120.40 122.69 1why s VAL 95 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1why s VAL 95 Cb -0.21 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1why s VAL 95 CO 0.23 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1why n GLY 96 N 4.20 6.62 3.53 4.51 0.00 -1.13 -1.62 105.19 121.30 1why n GLY 96 Ca -0.22 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.55 1why n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 97 N 5.00 -0.44 3.70 -0.02 0.00 -1.26 -4.38 105.19 107.79 1why n GLY 97 Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.81 3.28 0.00 0.99 1.43 -1.26 -4.95 118.68 111.35 1why s LEU 98 Ca 0.27 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1why s LEU 98 Cb -0.12 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1why s LEU 98 CO 0.74 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.79 1why n GLY 99 N -1.03 1.96 0.00 -3.19 0.00 -1.26 -4.95 105.19 96.72 1why n GLY 99 Ca -0.05 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.22 1why n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 100 N 0.00 0.45 -0.11 1.61 -0.04 -1.26 -3.24 135.00 132.41 1why n PRO 100 Ca 0.00 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 1why n PRO 100 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1why n PRO 100 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1why n ASN 101 N -1.04 1.78 -4.58 3.54 4.13 -1.26 -4.90 115.26 112.93 1why n ASN 101 Ca 0.11 0.30 -0.41 0.00 1.68 0.00 0.00 54.58 56.26 1why n ASN 101 Cb 0.06 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 37.55 1why n ASN 101 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1why n THR 102 N -4.19 0.21 -3.02 3.41 -1.04 -1.20 -4.92 114.28 103.52 1why n THR 102 Ca -0.37 -0.55 -0.41 0.00 -2.04 0.00 0.00 64.05 60.68 1why n THR 102 Cb 0.72 -2.57 -0.05 0.00 -1.82 0.00 0.00 70.33 66.61 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 9.44 6.67 0.26 8.00 0.01 -1.26 -4.63 113.70 132.19 1why s SER 103 Ca 1.01 0.80 -0.12 0.00 1.31 0.00 0.00 55.95 58.95 1why s SER 103 Cb -0.33 -2.38 0.37 0.00 0.21 0.00 0.00 66.02 63.90 1why s SER 103 CO 0.33 -0.45 1.56 0.25 0.41 0.00 0.00 173.24 175.35 1why h LEU 104 N 9.08 -1.08 -0.97 2.44 6.46 -1.96 0.35 115.31 129.63 1why h LEU 104 Ca -0.25 0.30 0.23 0.00 -0.12 0.00 0.00 57.88 58.04 1why h LEU 104 Cb 1.11 0.65 -0.18 0.00 -0.73 0.00 0.00 40.66 41.51 1why h LEU 104 CO 0.82 -0.31 -0.10 0.00 -0.62 0.00 0.00 178.44 178.23 1why n ALA 105 N -3.54 0.37 0.31 1.25 0.00 -1.26 -0.42 120.51 117.23 1why n ALA 105 Ca 0.13 1.05 -0.13 0.00 0.00 0.00 0.00 53.44 54.50 1why n ALA 105 Cb 0.46 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1why n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1why h ALA 106 N 1.94 -1.19 -0.09 0.00 0.00 -0.71 -2.15 119.26 117.07 1why h ALA 106 Ca 0.53 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1why h ALA 106 Cb 0.98 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1why h ALA 106 CO -0.95 -1.14 -0.51 -0.07 0.00 0.00 0.00 179.25 176.57 1why h LEU 107 N -0.82 -1.61 -0.96 0.00 3.38 -1.05 -1.11 115.31 113.14 1why h LEU 107 Ca -0.08 0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.32 1why h LEU 107 Cb 0.64 0.62 -0.18 0.00 0.09 0.00 0.00 40.66 41.83 1why h LEU 107 CO 0.11 -0.47 -0.05 0.00 0.09 0.00 0.00 178.44 178.12 1why h ALA 108 N -0.40 0.99 -0.33 1.53 0.00 -0.78 0.53 119.26 120.80 1why h ALA 108 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1why h ALA 108 Cb 0.65 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1why h ALA 108 CO -0.39 -0.50 0.21 -0.09 0.00 0.00 0.00 179.25 178.48 1why h ARG 109 N 0.02 0.44 0.86 0.00 2.43 -0.54 0.84 114.38 118.42 1why h ARG 109 Ca 0.55 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.65 1why h ARG 109 Cb 1.04 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1why h ARG 109 CO -0.92 0.30 -0.46 0.93 -1.51 0.00 0.00 179.97 178.30 1why h GLU 110 N 0.44 -1.18 -0.66 0.20 4.39 0.97 -2.49 114.58 116.26 1why h GLU 110 Ca 0.12 0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.99 1why h GLU 110 Cb -0.04 0.27 -0.07 0.00 -0.10 0.00 0.00 28.75 28.81 1why h GLU 110 CO -0.03 -0.79 0.30 0.74 -1.16 0.00 0.00 179.01 178.08 1why h PHE 111 N -1.22 0.53 -0.78 4.33 -1.00 -0.97 -1.58 116.94 116.25 1why h PHE 111 Ca -0.12 0.03 0.17 0.00 2.81 0.00 0.00 57.97 60.86 1why h PHE 111 Cb 0.96 -0.14 -0.11 0.00 3.61 0.00 0.00 35.95 40.27 1why h PHE 111 CO -0.05 0.17 0.26 0.22 -1.61 0.00 0.00 178.31 177.30 1why h ASP 112 N 0.52 0.15 -0.82 2.17 3.58 -0.67 -1.69 116.42 119.66 1why h ASP 112 Ca 0.33 0.14 0.14 0.00 0.42 0.00 0.00 57.03 58.06 1why h ASP 112 Cb 0.36 0.15 -0.14 0.00 1.72 0.00 0.00 39.33 41.43 1why h ASP 112 CO -0.28 0.01 -0.27 0.54 -2.88 0.00 0.00 179.24 176.36 1why n ARG 113 N -5.09 -0.14 0.47 0.28 5.12 -0.59 -0.56 116.66 116.15 1why n ARG 113 Ca 0.16 1.28 -0.19 0.00 -1.93 0.00 0.00 57.85 57.16 1why n ARG 113 Cb 0.49 -1.90 -0.09 0.00 -1.16 0.00 0.00 32.46 29.80 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1why h PHE 114 N 0.00 -1.12 -3.39 -1.55 0.04 -1.44 -3.48 116.94 106.01 1why h PHE 114 Ca 0.33 -0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.88 1why h PHE 114 Cb 0.54 0.37 -0.05 0.00 2.20 0.00 0.00 35.95 39.01 1why h PHE 114 CO -0.68 -0.69 -0.13 0.41 -0.60 0.00 0.00 178.31 176.62 1why n GLY 115 N -1.41 2.59 3.70 -1.45 0.00 0.27 -5.02 105.19 103.87 1why n GLY 115 Ca -0.15 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1why n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why s SER 116 N -2.42 7.16 -0.40 1.61 0.01 -1.26 -4.02 113.70 114.37 1why s SER 116 Ca 0.20 1.41 -0.21 0.00 1.31 0.00 0.00 55.95 58.66 1why s SER 116 Cb -0.00 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.74 1why s SER 116 CO 0.14 -0.28 0.68 -0.63 0.41 0.00 0.00 173.24 173.56 1why s ILE 117 N 1.36 4.80 0.08 1.44 1.01 -1.26 -2.08 121.20 126.55 1why s ILE 117 Ca 0.45 0.43 -0.29 0.00 0.00 0.00 0.00 60.65 61.24 1why s ILE 117 Cb -0.19 -4.18 -0.13 0.00 0.01 0.00 0.00 42.46 37.97 1why s ILE 117 CO 0.20 -0.50 1.46 -0.09 0.00 0.00 0.00 174.94 176.01 1why h ARG 118 N 8.70 -0.69 -2.73 2.79 2.43 -0.72 -3.47 114.38 120.70 1why h ARG 118 Ca -0.26 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1why h ARG 118 Cb 1.10 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.67 1why h ARG 118 CO 0.89 -0.46 0.28 -0.08 -1.51 0.00 0.00 179.97 179.09 1why s THR 119 N -5.30 0.00 0.01 0.20 -1.32 -1.26 -5.03 115.64 102.94 1why s THR 119 Ca -0.14 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 1why s THR 119 Cb 0.04 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 1why s THR 119 CO 0.50 0.00 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.23 1why s ILE 120 N -3.37 0.36 0.32 5.08 1.01 -1.26 -2.99 121.20 120.35 1why s ILE 120 Ca 0.01 -0.36 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 1why s ILE 120 Cb -0.01 -0.34 -0.10 0.00 0.01 0.00 0.00 42.46 42.02 1why s ILE 120 CO -0.10 -0.00 0.88 1.51 0.00 0.00 0.00 174.94 177.23 1why s ASP 121 N -0.39 7.17 -0.30 3.58 -4.77 -1.20 -4.98 116.67 115.77 1why s ASP 121 Ca -0.01 1.68 -0.03 0.00 -3.30 0.00 0.00 52.55 50.89 1why s ASP 121 Cb -0.03 -2.52 0.04 0.00 -1.09 0.00 0.00 42.92 39.31 1why s ASP 121 CO -0.00 -0.11 0.02 -1.00 0.70 0.00 0.00 175.17 174.78 1why s HIS 122 N -1.72 3.23 -0.29 2.11 3.76 -1.26 -4.49 115.29 116.63 1why s HIS 122 Ca 0.51 -1.67 -0.14 0.00 -0.15 0.00 0.00 55.06 53.61 1why s HIS 122 Cb -0.16 -2.15 0.12 0.00 1.11 0.00 0.00 32.58 31.50 1why s HIS 122 CO 0.21 -0.76 0.78 0.54 -0.85 0.00 0.00 174.74 174.65 1why s VAL 123 N 1.31 -0.41 -0.11 -0.90 0.11 -1.26 -5.05 120.40 114.08 1why s VAL 123 Ca -0.03 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1why s VAL 123 Cb -0.19 -1.00 -0.26 0.00 -1.53 0.00 0.00 36.38 33.39 1why s VAL 123 CO -0.00 0.00 0.44 0.50 -3.33 0.00 0.00 175.10 172.70 1why h LYS 124 N 7.24 0.26 0.15 1.54 3.64 -1.97 -3.38 116.57 124.06 1why h LYS 124 Ca -0.23 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1why h LYS 124 Cb 1.16 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1why h LYS 124 CO 0.13 1.21 -0.31 0.78 -2.27 0.00 0.00 179.45 179.00 1why h GLY 125 N 0.62 -1.14 -1.36 5.01 0.00 -1.96 -1.55 103.07 102.70 1why h GLY 125 Ca -0.38 0.55 0.48 0.00 0.00 0.00 0.00 47.33 47.98 1why h GLY 125 CO 0.07 -0.34 0.92 -0.55 0.00 0.00 0.00 176.54 176.63 1why h ASP 126 N -0.50 0.19 -0.60 0.19 3.32 -2.00 -3.44 116.42 113.58 1why h ASP 126 Ca -0.02 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1why h ASP 126 Cb 0.47 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1why h ASP 126 CO -0.12 -0.23 -0.13 -1.20 -1.72 0.00 0.00 179.24 175.83 1why n SER 127 N -4.67 -2.97 -3.65 6.45 7.64 -0.58 -5.02 113.62 110.81 1why n SER 127 Ca 0.40 0.06 -0.14 0.00 1.01 0.00 0.00 58.87 60.20 1why n SER 127 Cb 1.57 -1.75 -0.07 0.00 -1.01 0.00 0.00 64.21 62.96 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 -2.26 -0.35 0.05 1.43 -0.12 -1.26 -4.20 117.98 111.26 1why s PHE 128 Ca 0.00 0.49 0.06 0.00 -0.05 0.00 0.00 56.93 57.43 1why s PHE 128 Cb 0.00 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 1why s PHE 128 CO 0.00 -0.53 -0.16 0.00 -0.05 0.00 0.00 175.22 174.48 1why s ALA 129 N -1.76 1.37 -0.16 1.99 0.00 -0.64 -4.69 121.76 117.87 1why s ALA 129 Ca -0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 1why s ALA 129 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1why s ALA 129 CO 0.03 0.27 0.02 0.71 0.00 0.00 0.00 175.76 176.79 1why s TYR 130 N -0.93 3.17 -0.15 0.00 2.02 -1.26 -2.08 117.35 118.11 1why s TYR 130 Ca 0.03 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1why s TYR 130 Cb -0.09 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1why s TYR 130 CO 0.02 0.14 -0.19 0.42 -1.57 0.00 0.00 175.55 174.37 1why s ILE 131 N 0.19 1.89 -0.14 2.71 1.01 -0.82 -3.24 121.20 122.80 1why s ILE 131 Ca 0.02 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1why s ILE 131 Cb -0.13 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1why s ILE 131 CO 0.01 0.51 -0.02 -1.58 0.00 0.00 0.00 174.94 173.87 1why s GLN 132 N 1.13 3.49 0.02 2.79 2.00 -1.16 -0.53 119.66 127.40 1why s GLN 132 Ca -0.00 -0.48 0.02 0.00 -2.00 0.00 0.00 55.36 52.89 1why s GLN 132 Cb -0.14 -2.90 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 1why s GLN 132 CO -0.07 0.38 0.03 0.71 -0.50 0.00 0.00 175.29 175.83 1why s TYR 133 N 0.00 3.13 0.34 1.67 2.02 -1.15 0.03 117.35 123.39 1why s TYR 133 Ca 0.02 0.10 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 1why s TYR 133 Cb -0.13 -1.67 0.77 0.00 -0.40 0.00 0.00 41.96 40.54 1why s TYR 133 CO 0.02 0.49 1.86 0.93 -1.57 0.00 0.00 175.55 177.29 1why h GLU 134 N 4.08 0.72 -5.56 -0.62 4.39 -1.79 -3.43 114.58 112.37 1why h GLU 134 Ca -0.49 -0.04 -0.55 0.00 0.34 0.00 0.00 59.36 58.62 1why h GLU 134 Cb 1.18 -0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 29.53 1why h GLU 134 CO 0.60 0.48 -0.64 0.45 -1.16 0.00 0.00 179.01 178.74 1why s SER 135 N -5.76 3.16 -0.02 1.42 0.15 -1.26 -5.07 113.70 106.33 1why s SER 135 Ca -0.10 -1.29 -0.17 0.00 0.70 0.00 0.00 55.95 55.09 1why s SER 135 Cb 0.22 -0.25 -0.33 0.00 -1.71 0.00 0.00 66.02 63.95 1why s SER 135 CO 0.79 -0.41 0.87 0.25 1.20 0.00 0.00 173.24 175.94 1why h LEU 136 N 2.05 0.66 0.21 3.45 6.46 -1.94 -3.26 115.31 122.93 1why h LEU 136 Ca -0.42 -0.93 0.01 0.00 -0.12 0.00 0.00 57.88 56.43 1why h LEU 136 Cb 1.24 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.92 1why h LEU 136 CO 0.72 1.63 -0.34 0.44 -0.62 0.00 0.00 178.44 180.27 1why h ASP 137 N -0.05 -0.97 -0.97 1.25 5.19 -1.98 -1.77 116.42 117.12 1why h ASP 137 Ca -0.25 0.10 0.19 0.00 -0.62 0.00 0.00 57.03 56.45 1why h ASP 137 Cb 1.98 0.35 -0.11 0.00 0.18 0.00 0.00 39.33 41.73 1why h ASP 137 CO 0.20 -0.45 0.56 0.00 -3.12 0.00 0.00 179.24 176.43 1why h ALA 138 N -0.07 1.59 0.17 3.45 0.00 -1.96 -1.38 119.26 121.06 1why h ALA 138 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1why h ALA 138 Cb 0.62 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1why h ALA 138 CO -0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 179.25 178.91 1why h ALA 139 N 1.64 -0.24 -0.93 0.00 0.00 -1.41 -2.31 119.26 116.01 1why h ALA 139 Ca 0.56 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.63 1why h ALA 139 Cb 0.90 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1why h ALA 139 CO -0.40 -0.64 0.61 1.96 0.00 0.00 0.00 179.25 180.78 1why h GLN 140 N -0.25 0.43 0.50 0.00 4.20 -0.44 0.28 115.11 119.82 1why h GLN 140 Ca -0.02 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1why h GLN 140 Cb 0.20 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1why h GLN 140 CO 0.03 0.28 -0.24 0.00 -0.67 0.00 0.00 178.83 178.23 1why h ALA 141 N 1.61 -1.01 -0.62 3.87 0.00 -1.03 -2.76 119.26 119.32 1why h ALA 141 Ca 0.49 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1why h ALA 141 Cb 1.19 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1why h ALA 141 CO -0.21 -0.96 0.41 0.00 0.00 0.00 0.00 179.25 178.49 1why h ALA 142 N -1.59 1.75 -0.15 0.00 0.00 -1.12 0.64 119.26 118.78 1why h ALA 142 Ca -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1why h ALA 142 Cb 0.51 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1why h ALA 142 CO 0.11 0.17 -0.27 0.00 0.00 0.00 0.00 179.25 179.26 1why h ALA 144 N 0.59 -0.07 -0.46 0.00 0.00 -1.17 -2.72 119.26 115.44 1why h ALA 144 Ca 0.10 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1why h ALA 144 Cb 0.49 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1why h ALA 144 CO -0.33 -0.13 -0.54 0.87 0.00 0.00 0.00 179.25 179.12 1why h LYS 145 N -0.90 -0.33 -0.42 0.00 6.56 -0.84 -1.07 116.57 119.58 1why h LYS 145 Ca -0.01 0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.65 1why h LYS 145 Cb 0.64 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.33 1why h LYS 145 CO 0.01 -0.22 0.16 0.52 -2.06 0.00 0.00 179.45 177.87 1why h MET 146 N -0.34 0.33 -3.91 3.15 2.86 -0.89 -3.43 114.93 112.71 1why h MET 146 Ca 0.08 -0.02 -0.43 0.00 -2.06 0.00 0.00 59.70 57.27 1why h MET 146 Cb 0.55 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 1why h MET 146 CO -0.61 0.22 1.19 -2.13 1.06 0.00 0.00 176.91 176.64 1why n ARG 147 N -4.99 0.00 -1.05 1.72 0.00 -0.40 -0.99 116.66 110.95 1why n ARG 147 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1why n ARG 147 Cb 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1why n ARG 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1why n GLY 148 N 5.01 0.62 3.76 5.14 0.00 0.00 -4.95 105.19 114.77 1why n GLY 148 Ca 0.46 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.30 3.93 -2.00 1.61 5.36 -0.16 -4.78 117.98 119.64 1why s PHE 149 Ca 0.00 1.87 0.07 0.00 -0.96 0.00 0.00 56.93 57.91 1why s PHE 149 Cb 0.00 -2.95 0.42 0.00 -0.34 0.00 0.00 43.02 40.15 1why s PHE 149 CO 0.00 0.42 0.87 -0.35 -1.46 0.00 0.00 175.22 174.70 1why n PRO 150 N 1.34 0.49 -0.89 10.12 -0.04 -1.26 -2.98 135.00 141.78 1why n PRO 150 Ca -0.02 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.16 1why n PRO 150 Cb 0.48 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.72 -2.99 0.00 1.53 7.94 -1.26 -4.02 117.00 117.47 1why n LEU 151 Ca 0.05 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1why n LEU 151 Cb 0.02 -0.61 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1why n LEU 151 CO 0.04 -3.68 0.00 0.61 -1.11 0.00 0.00 177.39 173.25 1why n GLY 152 N 1.96 1.95 2.79 -3.96 0.00 -1.26 -4.57 105.19 102.10 1why n GLY 152 Ca 0.05 0.38 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 3.17 0.00 -0.02 0.00 -1.26 -5.00 105.19 102.08 1why n GLY 153 Ca 0.00 -2.29 0.08 0.00 0.00 0.00 0.00 46.02 43.81 1why n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 154 N -1.26 0.42 -0.10 1.61 -0.04 -1.26 -3.09 135.00 131.27 1why n PRO 154 Ca -0.07 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.22 1why n PRO 154 Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 1why n PRO 154 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1why n ASP 155 N -1.07 1.69 -4.63 3.54 -0.08 -1.26 -4.92 116.55 109.82 1why n ASP 155 Ca 0.11 0.17 -0.43 0.00 -1.51 0.00 0.00 54.79 53.13 1why n ASP 155 Cb 0.07 -0.54 -0.02 0.00 2.34 0.00 0.00 41.12 42.96 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1why s ARG 156 N -2.38 3.99 0.06 -0.67 0.52 -1.18 -5.02 118.95 114.27 1why s ARG 156 Ca -0.28 1.13 0.07 0.00 -0.52 0.00 0.00 55.73 56.12 1why s ARG 156 Cb 0.10 -3.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 1why s ARG 156 CO 0.38 -1.02 -0.18 1.03 0.02 0.00 0.00 175.30 175.53 1why s ARG 157 N 3.92 1.15 0.31 3.54 0.52 -1.26 -4.17 118.95 122.96 1why s ARG 157 Ca 0.50 -0.94 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 1why s ARG 157 Cb -0.14 -1.27 -0.09 0.00 0.52 0.00 0.00 34.95 33.97 1why s ARG 157 CO 0.20 0.31 1.10 -0.51 0.02 0.00 0.00 175.30 176.42 1why s LEU 158 N -1.37 4.46 -0.37 2.53 1.43 -1.16 -4.81 118.68 119.39 1why s LEU 158 Ca 0.05 2.25 -0.05 0.00 -1.03 0.00 0.00 54.13 55.35 1why s LEU 158 Cb -0.09 -3.74 0.08 0.00 0.03 0.00 0.00 46.19 42.47 1why s LEU 158 CO 0.02 -0.24 0.15 -0.60 0.23 0.00 0.00 176.35 175.91 1why s ARG 159 N -1.67 2.36 -0.20 1.70 3.00 -1.26 -0.82 118.95 122.07 1why s ARG 159 Ca 0.47 -1.48 -0.06 0.00 -1.00 0.00 0.00 55.73 53.66 1why s ARG 159 Cb -0.31 -3.51 -0.03 0.00 0.00 0.00 0.00 34.95 31.10 1why s ARG 159 CO 0.39 -0.86 0.02 0.08 0.00 0.00 0.00 175.30 174.93 1why s VAL 160 N 1.28 4.18 -0.04 7.11 1.01 -1.26 -2.85 120.40 129.84 1why s VAL 160 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1why s VAL 160 Cb -0.22 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1why s VAL 160 CO -0.01 0.43 0.07 -0.62 0.00 0.00 0.00 175.10 174.98 1why s ASP 161 N 0.84 -0.01 -0.31 3.32 -1.08 -1.17 -4.77 116.67 113.48 1why s ASP 161 Ca 0.01 0.14 -0.41 0.00 -0.52 0.00 0.00 52.55 51.77 1why s ASP 161 Cb -0.14 0.05 -0.16 0.00 -1.46 0.00 0.00 42.92 41.20 1why s ASP 161 CO 0.02 -0.12 1.71 0.49 0.52 0.00 0.00 175.17 177.79 1why n PHE 162 N 4.00 1.98 -2.43 -5.34 3.72 -1.26 -3.04 117.46 115.08 1why n PHE 162 Ca -0.25 0.65 -0.43 0.00 -0.05 0.00 0.00 57.45 57.38 1why n PHE 162 Cb 0.52 -2.41 0.01 0.00 -0.94 0.00 0.00 39.48 36.65 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why n ALA 163 N 5.05 5.29 -0.77 4.37 0.00 -1.23 -4.87 120.51 128.34 1why n ALA 163 Ca 0.27 -4.37 -0.29 0.00 0.00 0.00 0.00 53.44 49.05 1why n ALA 163 Cb 0.10 -2.91 0.10 0.00 0.00 0.00 0.00 19.45 16.73 1why n ALA 163 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1why n LYS 164 N 3.65 -1.02 -3.22 0.00 0.00 -1.26 -4.84 118.16 111.46 1why n LYS 164 Ca 0.38 -0.29 -0.45 0.00 -0.00 0.00 0.00 58.31 57.95 1why n LYS 164 Cb 0.36 -1.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 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 0.68 5.52 0.00 -5.58 2.88 -1.26 -4.92 113.62 110.94 1why n SER 165 Ca 0.00 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 1why n SER 165 Cb 0.57 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1why n SER 165 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1why n GLY 166 N 2.87 0.45 0.23 0.46 0.00 -1.26 -4.84 105.19 103.10 1why n GLY 166 Ca 0.27 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1why n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 167 N 0.00 0.65 -5.52 1.61 0.13 -2.02 -3.46 132.00 123.39 1why h PRO 167 Ca 0.00 -0.35 -0.61 0.00 -0.87 0.00 0.00 66.00 64.18 1why h PRO 167 Cb 0.00 0.01 0.11 0.00 0.13 0.00 0.00 31.00 31.25 1why h PRO 167 CO 0.00 0.95 -0.57 0.43 -0.23 0.00 0.00 178.00 178.58 1why n SER 168 N -4.03 -1.45 -2.85 1.44 7.64 -1.26 -4.85 113.62 108.26 1why n SER 168 Ca -0.02 0.98 -0.38 0.00 1.01 0.00 0.00 58.87 60.46 1why n SER 168 Cb 0.53 -0.86 0.03 0.00 -1.01 0.00 0.00 64.21 62.91 1why n SER 168 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1why n SER 169 N 1.90 7.01 -0.13 6.43 3.41 -1.26 -5.06 113.62 125.92 1why n SER 169 Ca 0.15 -3.82 0.02 0.00 -0.26 0.00 0.00 58.87 54.96 1why n SER 169 Cb 0.26 -0.96 0.01 0.00 -0.26 0.00 0.00 64.21 63.26 1why n SER 169 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49