#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kup s ARG 115 N 0.00 1.73 3.04 0.54 1.81 -1.26 -4.54 118.95 120.27 3kup s ARG 115 Ca 0.00 -1.87 0.00 0.00 -1.72 0.00 0.00 55.73 52.14 3kup s ARG 115 Cb 0.00 -1.57 0.00 0.00 -0.45 0.00 0.00 34.95 32.93 3kup s ARG 115 CO 0.00 0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.17 3kup n GLY 116 N -0.71 -0.23 0.28 -3.53 0.00 -1.26 -3.38 105.19 96.35 3kup n GLY 116 Ca -0.05 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.08 3kup n GLY 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kup h PHE 117 N 0.00 0.00 0.00 1.61 0.04 -1.94 -2.02 116.94 114.63 3kup h PHE 117 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kup h PHE 117 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3kup h PHE 117 CO 0.00 0.08 0.00 0.00 -0.60 0.00 0.00 178.31 177.79 3kup n ALA 118 N -2.27 1.57 0.29 2.45 0.00 -1.22 -1.66 120.51 119.68 3kup n ALA 118 Ca -0.02 0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.63 3kup n ALA 118 Cb 0.19 -1.32 0.89 0.00 0.00 0.00 0.00 19.45 19.21 3kup n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kup h ARG 119 N 0.00 0.00 -1.24 0.00 3.08 -1.46 -3.45 114.38 111.31 3kup h ARG 119 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3kup h ARG 119 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3kup h ARG 119 CO 0.00 0.04 -0.27 0.41 -1.07 0.00 0.00 179.97 179.09 3kup n GLY 120 N -1.00 0.39 3.89 0.04 0.00 -0.66 -5.04 105.19 102.81 3kup n GLY 120 Ca -0.02 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3kup n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kup s LEU 121 N -3.05 4.26 0.23 0.99 1.43 -1.26 -5.09 118.68 116.19 3kup s LEU 121 Ca 0.00 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 3kup s LEU 121 Cb 0.00 -2.74 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 3kup s LEU 121 CO 0.00 0.21 1.18 -1.81 0.23 0.00 0.00 176.35 176.16 3kup s ASP 122 N -2.25 7.10 0.39 2.29 1.01 -1.26 -4.92 116.67 119.03 3kup s ASP 122 Ca 0.31 2.31 -0.26 0.00 0.71 0.00 0.00 52.55 55.62 3kup s ASP 122 Cb -0.13 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 3kup s ASP 122 CO 0.23 -0.32 1.18 -2.16 0.21 0.00 0.00 175.17 174.31 3kup s PRO 123 N -0.79 4.11 -0.21 8.23 0.04 -1.26 -1.12 135.00 144.00 3kup s PRO 123 Ca 0.50 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 3kup s PRO 123 Cb -0.33 -2.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 3kup s PRO 123 CO 0.40 -0.28 -0.34 -1.91 0.04 0.00 0.00 177.00 174.91 3kup n GLU 124 N 0.20 0.53 -3.58 4.56 2.13 0.36 -4.63 120.64 120.22 3kup n GLU 124 Ca 0.04 0.22 -0.12 0.00 0.66 0.00 0.00 57.16 57.96 3kup n GLU 124 Cb 0.46 -1.41 -0.06 0.00 0.27 0.00 0.00 31.44 30.70 3kup n GLU 124 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3kup s ARG 125 N -2.70 0.66 -0.22 5.31 1.70 -0.97 -5.01 118.95 117.72 3kup s ARG 125 Ca -0.32 0.24 -0.28 0.00 -0.47 0.00 0.00 55.73 54.91 3kup s ARG 125 Cb 0.08 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3kup s ARG 125 CO 0.43 -0.19 0.97 0.42 -1.08 0.00 0.00 175.30 175.85 3kup s ILE 126 N -0.91 4.74 0.10 4.99 1.01 -1.26 -0.62 121.20 129.24 3kup s ILE 126 Ca -0.02 1.88 -0.10 0.00 0.00 0.00 0.00 60.65 62.40 3kup s ILE 126 Cb -0.01 -4.25 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 3kup s ILE 126 CO 0.02 -0.13 1.24 0.40 0.00 0.00 0.00 174.94 176.47 3kup h ILE 127 N 5.41 1.32 -2.11 2.92 2.04 -1.38 -3.47 117.51 122.24 3kup h ILE 127 Ca -0.21 -2.30 0.27 0.00 1.00 0.00 0.00 64.86 63.62 3kup h ILE 127 Cb 1.08 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 39.45 3kup h ILE 127 CO 0.94 0.70 0.74 -0.83 0.00 0.00 0.00 178.15 179.70 3kup s GLY 128 N -4.33 -0.13 0.04 5.37 0.00 -1.23 -5.01 107.32 102.03 3kup s GLY 128 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3kup s GLY 128 CO 0.90 2.73 -0.04 0.00 0.00 0.00 0.00 173.10 176.68 3kup s ALA 129 N -2.29 0.40 0.05 3.20 0.00 -1.26 -0.74 121.76 121.11 3kup s ALA 129 Ca 0.22 -0.87 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 3kup s ALA 129 Cb 0.00 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.34 3kup s ALA 129 CO 0.01 -0.20 0.57 -0.08 0.00 0.00 0.00 175.76 176.06 3kup s THR 130 N -2.34 0.02 -0.15 0.00 -1.32 -0.54 -5.00 115.64 106.31 3kup s THR 130 Ca -0.06 -0.14 0.16 0.00 -1.21 0.00 0.00 61.69 60.45 3kup s THR 130 Cb -0.04 -0.99 0.33 0.00 -1.51 0.00 0.00 72.50 70.30 3kup s THR 130 CO -0.04 -0.07 1.17 -0.90 -2.21 0.00 0.00 174.62 172.57 3kup n ASP 131 N 0.36 2.07 0.33 8.08 5.68 -1.26 -0.40 116.55 131.41 3kup n ASP 131 Ca -0.18 -3.32 0.22 0.00 -0.50 0.00 0.00 54.79 51.01 3kup n ASP 131 Cb 0.60 -0.46 1.16 0.00 -1.14 0.00 0.00 41.12 41.29 3kup n ASP 131 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kup h SER 132 N 0.34 0.00 1.12 -1.12 4.64 -1.97 -1.04 113.55 115.52 3kup h SER 132 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kup h SER 132 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3kup h SER 132 CO 0.00 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 176.73 3kup h SER 133 N 0.00 0.00 0.00 4.97 4.64 -2.01 -3.47 113.55 117.68 3kup h SER 133 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kup h SER 133 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3kup h SER 133 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3kup n GLY 134 N 0.15 1.47 3.35 -0.77 0.00 -0.40 -5.08 105.19 103.91 3kup n GLY 134 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 3kup n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kup s GLU 135 N -0.07 1.33 0.08 1.61 2.02 -1.26 -5.08 118.70 117.35 3kup s GLU 135 Ca 0.00 -1.54 -0.31 0.00 0.02 0.00 0.00 54.97 53.15 3kup s GLU 135 Cb 0.00 -1.23 -0.08 0.00 0.10 0.00 0.00 34.13 32.92 3kup s GLU 135 CO 0.00 0.22 1.48 -1.17 0.02 0.00 0.00 175.26 175.81 3kup s LEU 136 N -3.10 4.36 0.09 1.80 2.96 -1.26 -4.36 118.68 119.16 3kup s LEU 136 Ca 0.21 2.35 0.06 0.00 -0.22 0.00 0.00 54.13 56.53 3kup s LEU 136 Cb -0.03 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3kup s LEU 136 CO 0.07 -0.75 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.15 3kup s MET 137 N 1.78 0.93 -0.08 1.98 -1.94 0.46 -1.07 119.30 121.36 3kup s MET 137 Ca 0.67 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 53.61 3kup s MET 137 Cb -0.37 -1.00 -0.03 0.00 2.01 0.00 0.00 34.83 35.44 3kup s MET 137 CO 0.30 0.22 -0.07 -0.06 -0.01 0.00 0.00 175.02 175.40 3kup s PHE 138 N -1.33 2.94 -0.45 -0.03 0.08 0.17 -1.47 117.98 117.89 3kup s PHE 138 Ca 0.02 -0.04 -0.22 0.00 0.12 0.00 0.00 56.93 56.81 3kup s PHE 138 Cb -0.09 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3kup s PHE 138 CO 0.03 0.27 0.72 -1.17 -0.10 0.00 0.00 175.22 174.97 3kup s LEU 139 N -0.65 4.39 -0.20 -0.37 2.96 0.08 -0.78 118.68 124.11 3kup s LEU 139 Ca 0.10 -0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3kup s LEU 139 Cb -0.11 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 3kup s LEU 139 CO 0.02 -0.86 0.04 -0.32 -1.32 0.00 0.00 176.35 173.91 3kup s MET 140 N 3.07 3.76 -0.17 1.98 -2.45 0.57 -0.89 119.30 125.17 3kup s MET 140 Ca 0.26 -0.44 -0.20 0.00 -1.25 0.00 0.00 55.69 54.06 3kup s MET 140 Cb -0.13 -3.18 -0.03 0.00 1.25 0.00 0.00 34.83 32.74 3kup s MET 140 CO 0.21 0.08 0.58 0.21 1.05 0.00 0.00 175.02 177.14 3kup s LYS 141 N 0.88 4.25 0.19 4.11 2.47 0.21 -1.63 119.74 130.22 3kup s LYS 141 Ca 0.03 0.55 -0.07 0.00 -1.56 0.00 0.00 55.97 54.92 3kup s LYS 141 Cb -0.14 -3.54 -0.06 0.00 -1.46 0.00 0.00 37.83 32.63 3kup s LYS 141 CO 0.02 -0.12 0.46 -1.58 0.16 0.00 0.00 175.35 174.30 3kup s TRP 142 N 1.51 3.45 0.15 4.03 0.52 -1.26 -0.49 118.94 126.86 3kup s TRP 142 Ca 0.28 0.68 -0.17 0.00 0.02 0.00 0.00 56.10 56.90 3kup s TRP 142 Cb -0.16 -2.11 0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3kup s TRP 142 CO 0.11 0.34 1.71 0.87 0.02 0.00 0.00 176.95 180.00 3kup h LYS 143 N 2.57 0.09 -0.90 4.98 1.57 -1.38 -3.12 116.57 120.38 3kup h LYS 143 Ca -0.47 -0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 3kup h LYS 143 Cb 1.17 -0.02 -0.29 0.00 0.08 0.00 0.00 32.23 33.17 3kup h LYS 143 CO 0.70 0.06 0.55 -0.25 -0.57 0.00 0.00 179.45 179.95 3kup n ASP 144 N -5.17 5.18 -3.69 0.86 8.00 -1.26 -4.90 116.55 115.57 3kup n ASP 144 Ca 0.01 -3.71 -0.14 0.00 0.71 0.00 0.00 54.79 51.65 3kup n ASP 144 Cb 0.16 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 40.34 3kup n ASP 144 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3kup s SER 145 N -1.81 -0.45 0.00 -2.24 0.15 -1.18 -5.01 113.70 103.15 3kup s SER 145 Ca 0.58 0.70 0.28 0.00 0.70 0.00 0.00 55.95 58.22 3kup s SER 145 Cb 0.48 0.74 1.13 0.00 -1.71 0.00 0.00 66.02 66.66 3kup s SER 145 CO 0.04 -0.32 1.79 -0.90 1.20 0.00 0.00 173.24 175.06 3kup n ASP 146 N 2.08 1.34 -4.58 5.45 5.68 -1.26 -4.45 116.55 120.81 3kup n ASP 146 Ca -0.17 -1.44 -0.39 0.00 -0.50 0.00 0.00 54.79 52.30 3kup n ASP 146 Cb 0.56 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.44 3kup n ASP 146 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3kup s GLU 147 N -2.01 3.83 0.12 0.11 2.02 -1.26 -5.06 118.70 116.44 3kup s GLU 147 Ca 0.39 -0.32 -0.09 0.00 0.02 0.00 0.00 54.97 54.97 3kup s GLU 147 Cb 0.21 -3.71 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 3kup s GLU 147 CO 0.34 -0.30 0.42 0.00 0.02 0.00 0.00 175.26 175.75 3kup s ALA 148 N 1.85 3.71 0.05 5.21 0.00 -1.26 -4.57 121.76 126.76 3kup s ALA 148 Ca 0.09 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.73 3kup s ALA 148 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 3kup s ALA 148 CO 0.11 0.57 -0.20 -0.51 0.00 0.00 0.00 175.76 175.73 3kup s ASP 149 N -1.98 2.45 -0.03 0.00 1.01 -0.65 -4.89 116.67 112.59 3kup s ASP 149 Ca 0.37 -0.55 -0.28 0.00 0.71 0.00 0.00 52.55 52.79 3kup s ASP 149 Cb -0.13 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.58 3kup s ASP 149 CO 0.20 0.14 0.92 -0.76 0.21 0.00 0.00 175.17 175.88 3kup s LEU 150 N -1.31 4.34 0.07 1.23 1.43 -1.26 -0.32 118.68 122.86 3kup s LEU 150 Ca 0.07 1.53 0.06 0.00 -1.03 0.00 0.00 54.13 54.76 3kup s LEU 150 Cb -0.09 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3kup s LEU 150 CO 0.02 -0.26 -0.15 0.68 0.23 0.00 0.00 176.35 176.87 3kup s VAL 151 N 1.14 1.21 0.23 -1.59 -7.23 0.04 -4.84 120.40 109.36 3kup s VAL 151 Ca 0.48 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.11 3kup s VAL 151 Cb -0.20 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 3kup s VAL 151 CO 0.24 -0.12 1.23 -0.76 -0.31 0.00 0.00 175.10 175.38 3kup s LEU 152 N -1.57 4.46 0.30 1.32 1.43 -1.26 -0.66 118.68 122.69 3kup s LEU 152 Ca 0.00 2.37 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 3kup s LEU 152 Cb -0.09 -3.62 0.62 0.00 0.03 0.00 0.00 46.19 43.13 3kup s LEU 152 CO 0.02 -0.40 1.84 0.00 0.23 0.00 0.00 176.35 178.04 3kup h ALA 153 N 4.67 1.59 -0.83 4.21 0.00 -1.42 -1.41 119.26 126.06 3kup h ALA 153 Ca -0.46 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3kup h ALA 153 Cb 1.22 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3kup h ALA 153 CO 0.72 0.14 0.55 0.87 0.00 0.00 0.00 179.25 181.53 3kup h LYS 154 N 0.92 0.93 0.01 0.00 1.57 -1.91 0.21 116.57 118.29 3kup h LYS 154 Ca 0.50 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3kup h LYS 154 Cb 0.58 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kup h LYS 154 CO -0.27 0.61 -0.00 1.49 -0.57 0.00 0.00 179.45 180.71 3kup h GLU 155 N 0.95 -0.01 -0.60 3.15 4.81 -1.67 -3.16 114.58 118.05 3kup h GLU 155 Ca 0.35 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3kup h GLU 155 Cb 0.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3kup h GLU 155 CO -0.12 0.38 0.34 0.00 -0.73 0.00 0.00 179.01 178.88 3kup h ALA 156 N 0.59 0.76 -0.90 2.92 0.00 -1.03 -0.74 119.26 120.87 3kup h ALA 156 Ca -0.00 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.01 3kup h ALA 156 Cb 0.39 -0.24 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 3kup h ALA 156 CO 0.00 0.27 0.46 -0.91 0.00 0.00 0.00 179.25 179.07 3kup h ASN 157 N 0.81 0.49 0.42 0.00 2.35 -0.64 0.25 115.58 119.27 3kup h ASN 157 Ca 0.21 0.12 -0.31 0.00 -0.55 0.00 0.00 56.30 55.77 3kup h ASN 157 Cb 0.03 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3kup h ASN 157 CO -0.04 0.13 -1.55 0.24 -1.65 0.00 0.00 177.43 174.56 3kup h MET 158 N 0.54 0.27 0.00 0.81 2.86 -1.39 -3.25 114.93 114.77 3kup h MET 158 Ca 0.53 -0.47 -0.23 0.00 -2.06 0.00 0.00 59.70 57.48 3kup h MET 158 Cb 0.91 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 3kup h MET 158 CO -0.44 1.15 -1.67 1.63 1.06 0.00 0.00 176.91 178.63 3kup n LYS 159 N -3.47 0.64 -3.10 1.72 5.02 -0.33 -4.58 118.16 114.05 3kup n LYS 159 Ca -0.17 0.20 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 3kup n LYS 159 Cb 1.05 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 34.29 3kup n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kup h PRO 161 N 3.23 0.00 -0.01 0.00 0.13 -1.62 -1.99 132.00 131.75 3kup h PRO 161 Ca 0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.03 3kup h PRO 161 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 3kup h PRO 161 CO 0.43 0.07 -0.70 1.96 -0.23 0.00 0.00 178.00 179.53 3kup h GLN 162 N 0.00 0.04 -0.43 0.86 1.08 -1.91 -0.43 115.11 114.31 3kup h GLN 162 Ca -0.00 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 3kup h GLN 162 Cb 0.13 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3kup h GLN 162 CO 0.01 0.72 -0.19 0.82 -0.95 0.00 0.00 178.83 179.24 3kup h ILE 163 N 0.02 1.28 -0.21 2.54 1.08 -1.77 -0.40 117.51 120.05 3kup h ILE 163 Ca -0.01 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 3kup h ILE 163 Cb 1.23 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 3kup h ILE 163 CO 0.09 0.45 0.08 0.58 -0.69 0.00 0.00 178.15 178.66 3kup h VAL 164 N 0.71 1.17 -0.55 1.67 2.07 -1.20 -2.49 116.25 117.64 3kup h VAL 164 Ca 0.10 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3kup h VAL 164 Cb 0.75 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3kup h VAL 164 CO 0.06 0.17 0.36 0.40 0.02 0.00 0.00 177.57 178.58 3kup h ILE 165 N 0.18 1.13 -0.54 4.57 2.04 -0.97 -2.35 117.51 121.57 3kup h ILE 165 Ca 0.07 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kup h ILE 165 Cb 0.20 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3kup h ILE 165 CO -0.00 0.13 0.35 0.00 0.00 0.00 0.00 178.15 178.62 3kup h ALA 166 N 1.21 1.60 0.06 1.87 0.00 -0.98 0.62 119.26 123.63 3kup h ALA 166 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kup h ALA 166 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3kup h ALA 166 CO -0.05 0.37 -0.03 0.35 0.00 0.00 0.00 179.25 179.89 3kup h PHE 167 N 0.73 -0.07 -0.72 0.00 3.57 -0.99 -1.04 116.94 118.42 3kup h PHE 167 Ca 0.20 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3kup h PHE 167 Cb -0.07 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3kup h PHE 167 CO 0.00 0.05 0.25 1.88 -2.23 0.00 0.00 178.31 178.27 3kup h TYR 168 N -0.18 1.14 -0.63 0.41 0.05 -1.02 -1.88 116.97 114.85 3kup h TYR 168 Ca -0.01 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 3kup h TYR 168 Cb 0.16 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3kup h TYR 168 CO -0.04 0.89 0.33 0.93 -1.05 0.00 0.00 178.16 179.22 3kup h GLU 169 N 1.05 0.88 0.00 4.88 5.08 -0.79 -0.54 114.58 125.14 3kup h GLU 169 Ca 0.24 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3kup h GLU 169 Cb 0.27 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3kup h GLU 169 CO -0.01 0.68 -0.09 0.93 -1.00 0.00 0.00 179.01 179.51 3kup h GLU 170 N 0.86 0.00 0.00 2.33 5.08 -0.90 -3.22 114.58 118.72 3kup h GLU 170 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kup h GLU 170 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kup h GLU 170 CO -0.03 0.09 -0.02 0.00 -1.00 0.00 0.00 179.01 178.05 3kup h ARG 171 N 0.00 0.00 -0.01 2.33 3.08 -0.59 -3.51 114.38 115.67 3kup h ARG 171 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kup h ARG 171 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kup h ARG 171 CO 0.01 0.52 0.00 1.28 -1.07 0.00 0.00 179.97 180.71