#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1f h PRO 104 N 0.00 0.79 -5.77 5.56 0.13 -1.85 -3.43 132.00 127.43 1a1f h PRO 104 Ca 0.00 -0.05 -0.59 0.00 -0.87 0.00 0.00 66.00 64.50 1a1f h PRO 104 Cb 0.00 -0.18 -0.08 0.00 0.13 0.00 0.00 31.00 30.88 1a1f h PRO 104 CO 0.00 0.52 -0.18 0.71 -0.23 0.00 0.00 178.00 178.82 1a1f s TYR 105 N -6.07 3.56 0.07 1.56 2.02 -0.71 -4.97 117.35 112.81 1a1f s TYR 105 Ca -0.13 0.87 0.09 0.00 -0.37 0.00 0.00 57.07 57.53 1a1f s TYR 105 Cb 0.17 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.25 1a1f s TYR 105 CO 0.77 0.30 -0.23 0.00 -1.57 0.00 0.00 175.55 174.83 1a1f s ALA 106 N 0.15 2.00 -0.27 3.71 0.00 -1.26 0.08 121.76 126.16 1a1f s ALA 106 Ca 0.24 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 1a1f s ALA 106 Cb -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1a1f s ALA 106 CO 0.10 0.45 0.90 0.00 0.00 0.00 0.00 175.76 177.21 1a1f n PRO 108 N 6.29 0.95 -2.55 0.00 -0.04 -1.26 -4.71 135.00 133.67 1a1f n PRO 108 Ca 0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1a1f n PRO 108 Cb 0.47 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1a1f n PRO 108 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a1f s VAL 109 N -2.00 4.42 -0.23 0.52 1.01 -1.26 -4.89 120.40 117.96 1a1f s VAL 109 Ca 0.31 1.74 -0.26 0.00 0.00 0.00 0.00 61.98 63.76 1a1f s VAL 109 Cb 0.14 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 1a1f s VAL 109 CO 0.24 0.13 0.87 1.21 0.00 0.00 0.00 175.10 177.54 1a1f n GLU 110 N 3.98 0.00 -2.80 2.72 2.13 -1.26 -1.16 120.64 124.25 1a1f n GLU 110 Ca 0.08 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.72 1a1f n GLU 110 Cb 0.48 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 31.32 1a1f n GLU 110 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1a1f n SER 111 N 2.03 -4.41 -4.08 4.31 2.88 -1.26 -4.94 113.62 108.15 1a1f n SER 111 Ca 0.17 -0.07 -0.33 0.00 -1.33 0.00 0.00 58.87 57.31 1a1f n SER 111 Cb -0.02 -3.67 -0.14 0.00 -0.75 0.00 0.00 64.21 59.62 1a1f n SER 111 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a1f n ASP 113 N 4.42 0.00 -4.66 0.00 9.92 -1.26 -4.52 116.55 120.44 1a1f n ASP 113 Ca -0.06 -0.94 -0.42 0.00 -0.53 0.00 0.00 54.79 52.83 1a1f n ASP 113 Cb 0.42 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.87 1a1f n ASP 113 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1a1f s ARG 114 N -2.00 4.18 -0.09 -1.24 0.52 -1.26 -4.88 118.95 114.18 1a1f s ARG 114 Ca 0.22 2.23 -0.00 0.00 -0.52 0.00 0.00 55.73 57.66 1a1f s ARG 114 Cb 0.10 -3.94 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 1a1f s ARG 114 CO 0.17 -0.83 -0.07 1.03 0.02 0.00 0.00 175.30 175.62 1a1f s ARG 115 N 3.83 3.00 0.16 3.54 1.81 -1.26 -1.21 118.95 128.82 1a1f s ARG 115 Ca 0.74 -0.56 0.09 0.00 -1.72 0.00 0.00 55.73 54.28 1a1f s ARG 115 Cb -0.35 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 31.46 1a1f s ARG 115 CO 0.31 0.53 -0.20 -0.06 -0.68 0.00 0.00 175.30 175.20 1a1f s PHE 116 N -0.44 1.92 -0.19 -0.53 0.40 0.11 -4.94 117.98 114.32 1a1f s PHE 116 Ca 0.06 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.88 1a1f s PHE 116 Cb -0.12 -0.97 -0.21 0.00 0.51 0.00 0.00 43.02 42.23 1a1f s PHE 116 CO 0.02 0.35 0.09 -1.13 0.70 0.00 0.00 175.22 175.25 1a1f n SER 117 N 0.40 2.02 -4.75 1.36 3.41 -1.26 -1.74 113.62 113.06 1a1f n SER 117 Ca -0.14 0.18 -0.40 0.00 -0.26 0.00 0.00 58.87 58.25 1a1f n SER 117 Cb 0.56 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 1a1f n SER 117 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a1f s ASP 118 N -6.93 7.25 0.19 4.04 2.15 -1.26 -4.70 116.67 117.41 1a1f s ASP 118 Ca -0.29 1.49 -0.10 0.00 0.43 0.00 0.00 52.55 54.08 1a1f s ASP 118 Cb 0.08 -2.47 0.10 0.00 -0.30 0.00 0.00 42.92 40.33 1a1f s ASP 118 CO 0.66 0.07 1.74 -1.28 -0.17 0.00 0.00 175.17 176.19 1a1f h SER 119 N 5.29 0.93 0.28 -0.34 0.87 -2.01 -2.83 113.55 115.74 1a1f h SER 119 Ca -0.45 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 59.88 1a1f h SER 119 Cb 1.21 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1a1f h SER 119 CO 0.69 0.85 -0.28 0.28 -0.53 0.00 0.00 176.83 177.84 1a1f h SER 120 N 0.95 0.00 0.64 6.23 0.02 -2.00 -2.43 113.55 116.96 1a1f h SER 120 Ca 0.22 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1a1f h SER 120 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1a1f h SER 120 CO -0.02 0.28 -0.36 0.78 -1.14 0.00 0.00 176.83 176.37 1a1f h ASN 121 N 0.00 0.00 0.05 3.07 2.35 -1.92 -1.52 115.58 117.61 1a1f h ASN 121 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1a1f h ASN 121 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1a1f h ASN 121 CO 0.04 0.36 -0.02 0.25 -1.65 0.00 0.00 177.43 176.41 1a1f h LEU 122 N 0.00 -0.05 -1.50 1.61 5.85 -1.35 -1.48 115.31 118.39 1a1f h LEU 122 Ca -0.00 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.20 1a1f h LEU 122 Cb 0.78 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1a1f h LEU 122 CO 0.05 0.52 0.34 0.00 -0.34 0.00 0.00 178.44 179.01 1a1f h THR 123 N -0.65 1.12 -0.18 1.05 1.03 -1.46 0.99 112.91 114.81 1a1f h THR 123 Ca -0.01 -0.24 -0.01 0.00 -0.01 0.00 0.00 66.41 66.15 1a1f h THR 123 Cb 0.57 0.37 -0.01 0.00 -1.07 0.00 0.00 68.15 68.02 1a1f h THR 123 CO 0.01 0.13 0.08 -0.09 -0.01 0.00 0.00 175.52 175.64 1a1f h ARG 124 N 0.69 0.27 -0.25 0.00 2.43 -1.24 -2.80 114.38 113.48 1a1f h ARG 124 Ca 0.19 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1a1f h ARG 124 Cb -0.06 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1a1f h ARG 124 CO -0.04 0.32 -0.13 1.25 -1.51 0.00 0.00 179.97 179.86 1a1f h HIS 125 N 0.16 0.45 -0.24 2.20 2.76 -0.40 -2.81 115.15 117.26 1a1f h HIS 125 Ca 0.06 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1a1f h HIS 125 Cb 0.14 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1a1f h HIS 125 CO -0.02 0.54 -0.00 0.82 -1.30 0.00 0.00 177.93 177.97 1a1f h ILE 126 N 0.39 1.15 0.00 6.26 1.08 -0.58 -2.34 117.51 123.48 1a1f h ILE 126 Ca 0.08 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1a1f h ILE 126 Cb 0.46 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1a1f h ILE 126 CO 0.03 0.20 0.02 0.03 -0.69 0.00 0.00 178.15 177.74 1a1f h ARG 127 N 0.35 0.00 -0.00 2.37 3.08 -1.31 -1.72 114.38 117.15 1a1f h ARG 127 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1a1f h ARG 127 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1a1f h ARG 127 CO 0.01 0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.71 1a1f h ILE 128 N 0.00 1.49 -0.36 2.04 2.04 -1.57 -1.34 117.51 119.80 1a1f h ILE 128 Ca 0.00 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 1a1f h ILE 128 Cb 0.04 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1a1f h ILE 128 CO 0.00 0.38 -0.05 0.45 0.00 0.00 0.00 178.15 178.92 1a1f h HIS 129 N -0.59 0.76 0.00 1.37 3.86 -1.48 -2.90 115.15 116.17 1a1f h HIS 129 Ca -0.00 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1a1f h HIS 129 Cb 0.63 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1a1f h HIS 129 CO 0.14 0.81 0.00 0.25 0.86 0.00 0.00 177.93 179.99 1a1f n THR 130 N -4.43 0.45 -1.02 2.45 -2.24 -0.84 -4.91 114.28 103.74 1a1f n THR 130 Ca -0.02 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1a1f n THR 130 Cb 0.32 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1a1f n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a1f n GLY 131 N 1.04 0.24 3.76 3.38 0.00 -0.53 -4.96 105.19 108.12 1a1f n GLY 131 Ca 0.05 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1a1f n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a1f s GLN 132 N -1.43 4.38 -0.39 1.61 0.74 -1.06 -5.01 119.66 118.50 1a1f s GLN 132 Ca 0.00 2.18 0.02 0.00 0.05 0.00 0.00 55.36 57.61 1a1f s GLN 132 Cb 0.00 -3.09 0.16 0.00 1.10 0.00 0.00 33.01 31.17 1a1f s GLN 132 CO 0.00 -0.17 0.28 0.15 -0.55 0.00 0.00 175.29 175.00 1a1f s LYS 133 N -1.55 0.78 0.36 1.67 1.02 -1.26 -4.56 119.74 116.21 1a1f s LYS 133 Ca 0.50 -1.79 0.26 0.00 0.02 0.00 0.00 55.97 54.96 1a1f s LYS 133 Cb -0.39 -1.42 1.28 0.00 -0.52 0.00 0.00 37.83 36.78 1a1f s LYS 133 CO 0.50 -1.30 1.79 -1.35 -0.92 0.00 0.00 175.35 174.07 1a1f h PRO 134 N 6.26 0.00 -5.43 -1.68 0.11 -1.79 -3.41 132.00 126.06 1a1f h PRO 134 Ca 0.17 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.61 1a1f h PRO 134 Cb 0.93 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.75 1a1f h PRO 134 CO 0.33 0.00 -0.83 -0.06 -0.21 0.00 0.00 178.00 177.24 1a1f s PHE 135 N -3.56 2.67 0.09 0.65 0.08 -1.11 -5.03 117.98 111.77 1a1f s PHE 135 Ca -0.00 -0.81 0.09 0.00 0.12 0.00 0.00 56.93 56.33 1a1f s PHE 135 Cb 0.08 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1a1f s PHE 135 CO 0.31 -0.29 -0.23 -1.14 -0.10 0.00 0.00 175.22 173.77 1a1f s GLN 136 N 0.26 1.70 -0.22 0.44 0.74 -1.26 -0.29 119.66 121.03 1a1f s GLN 136 Ca -0.13 -1.19 -0.20 0.00 0.05 0.00 0.00 55.36 53.89 1a1f s GLN 136 Cb -0.16 -2.02 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 1a1f s GLN 136 CO 0.07 0.49 0.61 0.00 -0.55 0.00 0.00 175.29 175.91 1a1f h ARG 138 N 7.63 0.00 0.00 0.00 3.08 -1.96 0.20 114.38 123.33 1a1f h ARG 138 Ca -0.30 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 1a1f h ARG 138 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1a1f h ARG 138 CO 0.77 0.02 -0.52 0.82 -1.07 0.00 0.00 179.97 180.00 1a1f h ILE 139 N 0.00 0.81 -0.00 2.04 2.04 -1.98 -3.40 117.51 117.01 1a1f h ILE 139 Ca -0.00 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1a1f h ILE 139 Cb 0.08 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1a1f h ILE 139 CO 0.00 0.28 -0.73 0.00 0.00 0.00 0.00 178.15 177.70 1a1f n MET 141 N -0.97 -0.77 -2.91 0.00 2.81 0.70 -5.01 117.12 110.97 1a1f n MET 141 Ca 0.05 0.79 -0.33 0.00 -1.81 0.00 0.00 57.70 56.40 1a1f n MET 141 Cb 0.34 -4.71 -0.07 0.00 -0.71 0.00 0.00 33.22 28.07 1a1f n MET 141 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1a1f s ARG 142 N -2.65 4.19 -0.11 0.03 3.52 -1.25 -4.69 118.95 117.98 1a1f s ARG 142 Ca 0.00 1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 56.56 1a1f s ARG 142 Cb 0.00 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1a1f s ARG 142 CO 0.00 0.04 0.08 -0.80 -0.81 0.00 0.00 175.30 173.81 1a1f s ASN 143 N -2.17 5.91 0.11 -2.12 0.01 -1.26 -1.01 114.94 114.41 1a1f s ASN 143 Ca 0.59 0.32 0.07 0.00 -0.71 0.00 0.00 52.86 53.13 1a1f s ASN 143 Cb -0.10 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 1a1f s ASN 143 CO 0.15 0.38 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.58 1a1f s PHE 144 N -0.86 1.59 0.13 2.20 0.40 0.60 -5.01 117.98 117.04 1a1f s PHE 144 Ca 0.13 -0.46 0.14 0.00 -0.60 0.00 0.00 56.93 56.14 1a1f s PHE 144 Cb -0.12 -0.85 0.33 0.00 0.51 0.00 0.00 43.02 42.89 1a1f s PHE 144 CO 0.03 0.18 1.57 0.66 0.70 0.00 0.00 175.22 178.36 1a1f h SER 145 N 3.88 0.00 -4.18 1.36 4.64 -1.85 -2.95 113.55 114.45 1a1f h SER 145 Ca -0.43 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.42 1a1f h SER 145 Cb 1.19 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.08 1a1f h SER 145 CO 0.44 0.57 -0.79 -0.13 -0.87 0.00 0.00 176.83 176.05 1a1f s ARG 146 N -3.34 1.01 0.18 4.77 0.52 -1.26 -4.55 118.95 116.28 1a1f s ARG 146 Ca 0.00 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.11 1a1f s ARG 146 Cb 0.11 -1.06 0.04 0.00 0.52 0.00 0.00 34.95 34.56 1a1f s ARG 146 CO 0.74 0.23 1.41 0.66 0.02 0.00 0.00 175.30 178.36 1a1f h SER 147 N 3.92 0.25 0.66 0.23 4.64 -1.97 -2.80 113.55 118.48 1a1f h SER 147 Ca -0.42 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 60.60 1a1f h SER 147 Cb 1.19 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1a1f h SER 147 CO 0.44 0.97 -0.52 -2.24 -0.87 0.00 0.00 176.83 174.60 1a1f h ASP 148 N 0.12 0.00 1.45 4.97 2.03 -1.99 -0.86 116.42 122.13 1a1f h ASP 148 Ca -0.04 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.16 1a1f h ASP 148 Cb 1.43 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.91 1a1f h ASP 148 CO 0.13 0.52 -0.56 0.45 -1.03 0.00 0.00 179.24 178.74 1a1f h HIS 149 N 0.00 0.00 -0.05 4.15 3.86 -1.99 -2.96 115.15 118.16 1a1f h HIS 149 Ca -0.01 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.98 1a1f h HIS 149 Cb 0.99 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.47 1a1f h HIS 149 CO 0.00 0.47 -0.84 1.25 0.86 0.00 0.00 177.93 179.67 1a1f h LEU 150 N 0.00 0.83 -0.55 2.43 5.85 -1.21 -1.48 115.31 121.19 1a1f h LEU 150 Ca -0.02 -0.70 0.02 0.00 0.84 0.00 0.00 57.88 58.02 1a1f h LEU 150 Cb 1.37 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1a1f h LEU 150 CO 0.06 1.42 0.33 0.74 -0.34 0.00 0.00 178.44 180.65 1a1f h THR 151 N 0.32 1.07 -0.00 1.05 2.02 -1.15 -1.10 112.91 115.12 1a1f h THR 151 Ca -0.09 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 66.71 1a1f h THR 151 Cb 1.50 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1a1f h THR 151 CO 0.17 0.12 -0.74 0.71 0.37 0.00 0.00 175.52 176.15 1a1f h THR 152 N 0.67 1.53 -0.57 3.16 1.35 -1.57 -3.20 112.91 114.28 1a1f h THR 152 Ca 0.22 -2.53 -0.07 0.00 -0.55 0.00 0.00 66.41 63.47 1a1f h THR 152 Cb 0.00 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 1a1f h THR 152 CO -0.09 0.72 0.07 -0.74 -0.25 0.00 0.00 175.52 175.24 1a1f h HIS 153 N 0.00 1.02 -0.18 4.73 6.17 -0.66 -2.89 115.15 123.34 1a1f h HIS 153 Ca -0.01 -0.15 0.05 0.00 0.71 0.00 0.00 60.37 60.98 1a1f h HIS 153 Cb 1.31 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 30.95 1a1f h HIS 153 CO 0.00 0.90 0.15 0.82 0.71 0.00 0.00 177.93 180.51 1a1f h ILE 154 N 0.84 0.78 0.00 6.26 2.04 -1.22 -1.20 117.51 125.02 1a1f h ILE 154 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1a1f h ILE 154 Cb 0.45 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1a1f h ILE 154 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.71 1a1f n ARG 155 N -4.28 0.12 0.11 2.37 1.74 -1.09 -1.62 116.66 114.00 1a1f n ARG 155 Ca 0.01 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 1a1f n ARG 155 Cb 0.28 -1.72 0.42 0.00 -1.02 0.00 0.00 32.46 30.42 1a1f n ARG 155 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1a1f n THR 156 N -1.94 0.61 -0.12 0.55 -2.24 -0.45 -0.83 114.28 109.85 1a1f n THR 156 Ca 0.03 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.32 1a1f n THR 156 Cb 0.21 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 67.68 1a1f n THR 156 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1a1f n HIS 157 N -2.24 0.23 0.36 4.78 8.25 -0.64 -4.56 115.22 121.41 1a1f n HIS 157 Ca 0.05 0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 1a1f n HIS 157 Cb 0.41 -1.03 0.20 0.00 1.12 0.00 0.00 29.99 30.69 1a1f n HIS 157 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1a1f h THR 158 N -0.73 0.00 -0.93 1.59 1.35 -1.53 -3.48 112.91 109.18 1a1f h THR 158 Ca -0.61 -0.78 -0.21 0.00 -0.55 0.00 0.00 66.41 64.26 1a1f h THR 158 Cb 1.65 1.62 -0.05 0.00 -1.73 0.00 0.00 68.15 69.64 1a1f h THR 158 CO -0.30 0.00 -0.22 0.61 -0.25 0.00 0.00 175.52 175.36 1a1f n GLY 159 N 1.21 0.61 3.70 5.82 0.00 -0.01 -4.98 105.19 111.53 1a1f n GLY 159 Ca 0.04 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1a1f n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a1f s GLU 160 N -3.61 4.46 -0.45 1.61 2.12 -1.22 -5.01 118.70 116.61 1a1f s GLU 160 Ca 0.00 1.46 0.02 0.00 0.36 0.00 0.00 54.97 56.81 1a1f s GLU 160 Cb 0.00 -3.50 0.15 0.00 0.26 0.00 0.00 34.13 31.03 1a1f s GLU 160 CO 0.00 -0.24 0.29 0.15 -0.54 0.00 0.00 175.26 174.92 1a1f s LYS 161 N 1.65 1.20 0.00 4.30 1.02 -1.26 -4.35 119.74 122.30 1a1f s LYS 161 Ca 0.51 -2.06 0.24 0.00 0.02 0.00 0.00 55.97 54.68 1a1f s LYS 161 Cb -0.21 -2.07 1.35 0.00 -0.52 0.00 0.00 37.83 36.38 1a1f s LYS 161 CO 0.22 -1.24 1.79 -2.30 -0.92 0.00 0.00 175.35 172.91 1a1f n PRO 162 N 3.29 0.61 -3.89 -1.68 -0.02 -1.15 -4.29 135.00 127.86 1a1f n PRO 162 Ca 0.15 0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.31 1a1f n PRO 162 Cb 0.38 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.23 1a1f n PRO 162 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1a1f s PHE 163 N -2.20 3.44 -0.08 6.00 0.08 -0.72 -4.97 117.98 119.53 1a1f s PHE 163 Ca 0.31 -2.24 -0.04 0.00 0.12 0.00 0.00 56.93 55.08 1a1f s PHE 163 Cb 0.16 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1a1f s PHE 163 CO 0.31 -0.88 0.11 0.00 -0.10 0.00 0.00 175.22 174.65 1a1f s ALA 164 N 1.16 3.74 0.13 5.36 0.00 -1.26 0.15 121.76 131.03 1a1f s ALA 164 Ca 0.01 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 1a1f s ALA 164 Cb -0.21 -1.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 1a1f s ALA 164 CO -0.03 0.64 1.28 0.00 0.00 0.00 0.00 175.76 177.65 1a1f h ASP 166 N 6.24 0.00 0.00 0.00 3.32 -1.95 0.06 116.42 124.09 1a1f h ASP 166 Ca -0.43 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1a1f h ASP 166 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1a1f h ASP 166 CO 0.81 0.00 -0.46 0.40 -1.72 0.00 0.00 179.24 178.27 1a1f h ILE 167 N 0.00 0.00 0.00 0.35 1.08 -1.98 -3.42 117.51 113.54 1a1f h ILE 167 Ca 0.00 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1a1f h ILE 167 Cb 0.30 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 1a1f h ILE 167 CO 0.00 0.00 -1.62 0.00 -0.69 0.00 0.00 178.15 175.84 1a1f n GLY 169 N 1.33 0.61 3.73 0.00 0.00 0.01 -5.00 105.19 105.88 1a1f n GLY 169 Ca -0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1a1f n GLY 169 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a1f s ARG 170 N -0.50 4.37 0.03 1.61 3.52 -1.26 -4.48 118.95 122.24 1a1f s ARG 170 Ca 0.00 2.02 -0.06 0.00 -0.13 0.00 0.00 55.73 57.56 1a1f s ARG 170 Cb 0.00 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1a1f s ARG 170 CO 0.00 -0.31 0.28 0.15 -0.81 0.00 0.00 175.30 174.61 1a1f s LYS 171 N 0.42 3.58 0.08 5.12 1.02 -1.26 -0.66 119.74 128.04 1a1f s LYS 171 Ca 0.59 -0.10 0.05 0.00 0.02 0.00 0.00 55.97 56.53 1a1f s LYS 171 Cb -0.36 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1a1f s LYS 171 CO 0.34 0.63 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.21 1a1f s PHE 172 N -1.35 1.15 0.19 3.18 0.08 0.12 -4.96 117.98 116.39 1a1f s PHE 172 Ca 0.29 -0.52 -0.02 0.00 0.12 0.00 0.00 56.93 56.80 1a1f s PHE 172 Cb -0.13 -0.64 0.13 0.00 -0.57 0.00 0.00 43.02 41.81 1a1f s PHE 172 CO 0.18 0.04 1.51 0.00 -0.10 0.00 0.00 175.22 176.85 1a1f h ALA 173 N 4.06 0.71 -3.24 5.36 0.00 -1.86 -1.88 119.26 122.42 1a1f h ALA 173 Ca -0.39 -0.51 -0.65 0.00 0.00 0.00 0.00 54.91 53.35 1a1f h ALA 173 Cb 1.19 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 1a1f h ALA 173 CO 0.44 0.69 -0.80 1.03 0.00 0.00 0.00 179.25 180.61 1a1f s ARG 174 N -3.98 1.67 0.17 0.00 0.52 -1.26 -4.50 118.95 111.57 1a1f s ARG 174 Ca -0.07 -1.42 -0.14 0.00 -0.52 0.00 0.00 55.73 53.58 1a1f s ARG 174 Cb 0.11 -1.95 0.06 0.00 0.52 0.00 0.00 34.95 33.69 1a1f s ARG 174 CO 0.84 0.42 1.79 0.66 0.02 0.00 0.00 175.30 179.02 1a1f h SER 175 N 3.21 0.65 0.15 0.23 4.64 -1.95 -2.95 113.55 117.54 1a1f h SER 175 Ca -0.47 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 60.75 1a1f h SER 175 Cb 1.20 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1a1f h SER 175 CO 0.49 0.55 -0.11 -2.24 -0.87 0.00 0.00 176.83 174.64 1a1f h ASP 176 N 0.71 0.00 0.02 4.97 2.03 -1.98 -0.76 116.42 121.40 1a1f h ASP 176 Ca 0.19 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.33 1a1f h ASP 176 Cb 0.03 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 1a1f h ASP 176 CO -0.03 0.11 -0.55 -0.33 -1.03 0.00 0.00 179.24 177.42 1a1f h GLU 177 N 0.00 0.57 -0.19 4.15 5.08 -1.94 -0.52 114.58 121.72 1a1f h GLU 177 Ca -0.00 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 1a1f h GLU 177 Cb 0.22 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1a1f h GLU 177 CO 0.01 0.96 -0.61 -0.09 -1.00 0.00 0.00 179.01 178.29 1a1f h ARG 178 N 0.43 0.65 -0.41 2.33 2.43 -1.32 -1.11 114.38 117.39 1a1f h ARG 178 Ca 0.01 -0.45 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1a1f h ARG 178 Cb 1.09 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1a1f h ARG 178 CO 0.10 1.07 0.09 -0.22 -1.51 0.00 0.00 179.97 179.51 1a1f h LYS 179 N 0.49 0.65 0.00 0.20 3.64 -1.02 -0.72 116.57 119.81 1a1f h LYS 179 Ca -0.01 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1a1f h LYS 179 Cb 1.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1a1f h LYS 179 CO 0.12 0.68 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.61 1a1f h ARG 180 N 0.52 0.00 0.04 1.90 2.43 -1.00 -3.23 114.38 115.02 1a1f h ARG 180 Ca 0.13 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1a1f h ARG 180 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1a1f h ARG 180 CO 0.00 0.28 -0.02 1.25 -1.51 0.00 0.00 179.97 179.97 1a1f h HIS 181 N 0.00 -0.04 -1.39 2.20 2.76 -0.82 -3.35 115.15 114.50 1a1f h HIS 181 Ca -0.00 -0.00 0.41 0.00 -2.20 0.00 0.00 60.37 58.58 1a1f h HIS 181 Cb 0.70 0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.59 1a1f h HIS 181 CO 0.00 0.62 0.96 1.15 -1.30 0.00 0.00 177.93 179.36 1a1f h THR 182 N -0.91 0.25 0.00 6.26 2.02 -1.16 0.97 112.91 120.34 1a1f h THR 182 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1a1f h THR 182 Cb 0.68 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1a1f h THR 182 CO 0.01 0.02 0.00 2.29 0.37 0.00 0.00 175.52 178.20 1a1f n LYS 183 N -4.34 0.14 0.16 6.66 -0.00 -1.25 -2.49 118.16 117.04 1a1f n LYS 183 Ca 0.33 0.49 0.01 0.00 -0.00 0.00 0.00 58.31 59.15 1a1f n LYS 183 Cb 1.43 -1.85 0.25 0.00 -0.00 0.00 0.00 35.03 34.86 1a1f n LYS 183 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1a1f h ILE 184 N 0.00 1.31 0.00 0.58 3.07 -1.02 -2.95 117.51 118.49 1a1f h ILE 184 Ca 0.00 -1.80 0.00 0.00 1.55 0.00 0.00 64.86 64.61 1a1f h ILE 184 Cb 0.20 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1a1f h ILE 184 CO 0.00 0.50 0.00 1.41 -1.05 0.00 0.00 178.15 179.01 1a1f n HIS 185 N -3.84 0.00 1.80 0.16 8.25 -1.04 -5.21 115.22 115.34 1a1f n HIS 185 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.60 1a1f n HIS 185 Cb 0.54 0.00 0.78 0.00 1.12 0.00 0.00 29.99 32.43 1a1f n HIS 185 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26