#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqa n ALA 172 N 0.00 -1.61 -2.54 0.58 0.00 -1.26 -4.95 120.51 110.73 1yqa n ALA 172 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1yqa n ALA 172 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 19.45 15.26 1yqa n ALA 172 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yqa s SER 173 N -3.77 7.31 -0.32 0.00 0.01 -1.26 -4.96 113.70 110.71 1yqa s SER 173 Ca 0.33 1.79 -0.25 0.00 1.31 0.00 0.00 55.95 59.13 1yqa s SER 173 Cb -0.15 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1yqa s SER 173 CO 0.72 -0.29 0.87 -0.94 0.41 0.00 0.00 173.24 174.02 1yqa s SER 174 N 0.83 6.72 0.21 2.44 1.04 -1.26 -5.04 113.70 118.64 1yqa s SER 174 Ca 0.53 0.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 1yqa s SER 174 Cb -0.24 -2.44 -0.08 0.00 0.10 0.00 0.00 66.02 63.35 1yqa s SER 174 CO 0.29 -0.71 0.93 -2.16 0.98 0.00 0.00 173.24 172.57 1yqa s PRO 175 N 3.18 4.81 0.25 4.02 0.04 -1.26 -4.95 135.00 141.08 1yqa s PRO 175 Ca 0.36 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1yqa s PRO 175 Cb -0.13 -3.30 0.06 0.00 0.04 0.00 0.00 34.50 31.16 1yqa s PRO 175 CO 0.14 0.46 0.28 0.45 0.04 0.00 0.00 177.00 178.36 1yqa n SER 176 N 1.78 -0.55 -3.36 6.66 2.88 -1.26 -4.59 113.62 115.18 1yqa n SER 176 Ca -0.01 -0.90 -0.16 0.00 -1.33 0.00 0.00 58.87 56.46 1yqa n SER 176 Cb 0.48 -0.23 0.08 0.00 -0.75 0.00 0.00 64.21 63.79 1yqa n SER 176 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1yqa n SER 177 N -3.30 -4.31 -3.77 -3.46 7.64 -1.26 -5.03 113.62 100.14 1yqa n SER 177 Ca 0.04 -0.68 -0.10 0.00 1.01 0.00 0.00 58.87 59.14 1yqa n SER 177 Cb 0.13 -5.10 -0.07 0.00 -1.01 0.00 0.00 64.21 58.16 1yqa n SER 177 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1yqa s LEU 178 N -5.90 0.99 0.79 -3.43 1.43 -1.26 -5.16 118.68 106.14 1yqa s LEU 178 Ca 0.23 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1yqa s LEU 178 Cb -0.03 1.34 0.07 0.00 0.03 0.00 0.00 46.19 47.60 1yqa s LEU 178 CO 0.74 -0.72 1.14 0.28 0.23 0.00 0.00 176.35 178.02 1yqa s THR 179 N -3.42 2.63 0.56 5.49 -1.32 -1.26 -4.82 115.64 113.50 1yqa s THR 179 Ca 0.01 0.24 0.25 0.00 -1.21 0.00 0.00 61.69 60.98 1yqa s THR 179 Cb 0.02 -2.61 0.35 0.00 -1.51 0.00 0.00 72.50 68.75 1yqa s THR 179 CO -0.09 -0.23 2.10 1.88 -2.21 0.00 0.00 174.62 176.08 1yqa h TYR 180 N -0.97 0.00 -0.16 9.09 -1.99 -1.99 -1.40 116.97 119.56 1yqa h TYR 180 Ca -0.45 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.26 1yqa h TYR 180 Cb 1.26 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.99 1yqa h TYR 180 CO 0.52 0.00 0.02 -0.22 -0.00 0.00 0.00 178.16 178.48 1yqa h LYS 181 N 0.00 0.27 -0.84 4.88 3.64 -1.90 -2.63 116.57 120.00 1yqa h LYS 181 Ca 0.10 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1yqa h LYS 181 Cb 0.45 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1yqa h LYS 181 CO -0.00 0.46 0.50 0.93 -2.27 0.00 0.00 179.45 179.07 1yqa h GLU 182 N 0.04 1.14 -0.34 1.90 4.39 -1.62 -1.54 114.58 118.54 1yqa h GLU 182 Ca 0.05 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1yqa h GLU 182 Cb 0.33 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1yqa h GLU 182 CO 0.00 0.80 0.07 0.52 -1.16 0.00 0.00 179.01 179.24 1yqa h MET 183 N 1.15 0.18 -0.27 2.33 2.86 -1.21 -2.07 114.93 117.90 1yqa h MET 183 Ca 0.30 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.77 1yqa h MET 183 Cb -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1yqa h MET 183 CO -0.06 0.12 -0.46 0.82 1.06 0.00 0.00 176.91 178.39 1yqa h ILE 184 N 0.19 1.29 -0.58 -1.22 2.04 -1.11 -2.26 117.51 115.85 1yqa h ILE 184 Ca 0.16 -1.66 0.08 0.00 1.00 0.00 0.00 64.86 64.44 1yqa h ILE 184 Cb 0.18 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 1yqa h ILE 184 CO -0.21 0.53 0.24 -0.07 0.00 0.00 0.00 178.15 178.64 1yqa h LEU 185 N 0.56 0.27 -0.35 1.44 3.38 -0.77 0.46 115.31 120.30 1yqa h LEU 185 Ca 0.03 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1yqa h LEU 185 Cb 1.02 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1yqa h LEU 185 CO 0.10 0.17 -0.50 0.50 0.09 0.00 0.00 178.44 178.79 1yqa h LYS 186 N 0.44 0.86 -0.06 1.13 1.63 -1.36 -3.28 116.57 115.94 1yqa h LYS 186 Ca 0.29 -0.52 -0.15 0.00 -0.85 0.00 0.00 60.65 59.41 1yqa h LYS 186 Cb 0.31 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1yqa h LYS 186 CO -0.27 1.16 -0.65 0.77 -3.45 0.00 0.00 179.45 177.02 1yqa h SER 187 N 0.68 0.27 -0.30 4.20 0.02 -0.69 -3.36 113.55 114.37 1yqa h SER 187 Ca 0.03 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1yqa h SER 187 Cb 1.10 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.49 1yqa h SER 187 CO 0.11 0.84 -0.18 0.24 -1.14 0.00 0.00 176.83 176.70 1yqa h MET 188 N 0.17 -0.15 -0.01 3.45 2.86 -0.17 -2.06 114.93 119.01 1yqa h MET 188 Ca -0.01 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1yqa h MET 188 Cb 1.17 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1yqa h MET 188 CO 0.10 -0.10 -0.17 -1.00 1.06 0.00 0.00 176.91 176.81 1yqa h PRO 189 N -0.15 0.01 -0.36 -0.22 0.13 -1.76 -2.23 132.00 127.42 1yqa h PRO 189 Ca 0.16 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 1yqa h PRO 189 Cb 0.39 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1yqa h PRO 189 CO -0.39 0.18 -0.16 1.96 -0.23 0.00 0.00 178.00 179.36 1yqa h GLN 190 N 0.01 0.66 -5.46 0.86 4.20 -1.56 -2.96 115.11 110.85 1yqa h GLN 190 Ca 0.00 -0.23 -0.64 0.00 0.06 0.00 0.00 58.65 57.85 1yqa h GLN 190 Cb 0.30 -0.05 -0.14 0.00 0.30 0.00 0.00 27.48 27.90 1yqa h GLN 190 CO 0.02 0.79 0.13 -0.51 -0.67 0.00 0.00 178.83 178.59 1yqa s LEU 191 N -8.89 4.30 -1.46 1.46 1.43 -0.87 -4.29 118.68 110.36 1yqa s LEU 191 Ca -0.08 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1yqa s LEU 191 Cb 0.14 -2.77 0.05 0.00 0.03 0.00 0.00 46.19 43.65 1yqa s LEU 191 CO 0.81 -0.62 0.80 0.59 0.23 0.00 0.00 176.35 178.15 1yqa n ASN 192 N 6.07 -5.08 -2.58 2.29 3.02 -1.26 -1.40 115.26 116.32 1yqa n ASN 192 Ca -0.01 -0.53 -0.15 0.00 -0.03 0.00 0.00 54.58 53.85 1yqa n ASN 192 Cb 0.48 -4.08 -0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1yqa n ASN 192 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1yqa n ASP 193 N -2.64 -4.23 -1.06 6.41 9.92 -1.14 -0.53 116.55 123.27 1yqa n ASP 193 Ca -0.01 0.07 -0.12 0.00 -0.53 0.00 0.00 54.79 54.21 1yqa n ASP 193 Cb 0.56 -3.56 -0.03 0.00 -0.64 0.00 0.00 41.12 37.45 1yqa n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yqa n GLY 194 N -0.91 0.71 0.14 0.44 0.00 -0.49 -4.84 105.19 100.23 1yqa n GLY 194 Ca -0.14 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 1yqa n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yqa h LYS 195 N 0.00 0.46 0.00 1.61 1.57 -0.94 -3.31 116.57 115.96 1yqa h LYS 195 Ca -0.25 -0.78 0.00 0.00 -1.87 0.00 0.00 60.65 57.75 1yqa h LYS 195 Cb 0.94 0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1yqa h LYS 195 CO 0.34 1.37 0.00 0.41 -0.57 0.00 0.00 179.45 181.00 1yqa n GLY 196 N 1.67 3.93 2.87 3.86 0.00 -1.26 -4.35 105.19 111.91 1yqa n GLY 196 Ca -0.16 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1yqa n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yqa s SER 197 N 0.00 0.02 0.77 1.61 0.01 0.61 -4.78 113.70 111.94 1yqa s SER 197 Ca 0.00 -0.00 -0.14 0.00 1.31 0.00 0.00 55.95 57.12 1yqa s SER 197 Cb 0.00 -0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.29 1yqa s SER 197 CO 0.00 -0.00 1.19 -0.94 0.41 0.00 0.00 173.24 173.90 1yqa s SER 198 N 0.02 3.93 0.27 2.44 1.04 -1.26 -0.20 113.70 119.93 1yqa s SER 198 Ca -0.00 2.30 -0.00 0.00 0.48 0.00 0.00 55.95 58.73 1yqa s SER 198 Cb -0.00 -2.58 0.54 0.00 0.10 0.00 0.00 66.02 64.07 1yqa s SER 198 CO -0.00 -2.44 1.79 -0.09 0.98 0.00 0.00 173.24 173.48 1yqa h ARG 199 N -0.68 0.75 -0.42 4.02 2.43 -1.80 0.36 114.38 119.05 1yqa h ARG 199 Ca -0.46 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 1yqa h ARG 199 Cb 1.29 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1yqa h ARG 199 CO 0.48 0.50 0.14 0.82 -1.51 0.00 0.00 179.97 180.40 1yqa h ILE 200 N 0.78 1.21 -0.54 1.20 2.04 -1.92 0.29 117.51 120.56 1yqa h ILE 200 Ca 0.47 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1yqa h ILE 200 Cb 0.58 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1yqa h ILE 200 CO -0.31 0.25 0.17 0.58 0.00 0.00 0.00 178.15 178.84 1yqa h VAL 201 N 0.53 1.23 -0.15 1.67 2.07 -1.63 0.11 116.25 120.09 1yqa h VAL 201 Ca 0.14 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1yqa h VAL 201 Cb 0.24 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1yqa h VAL 201 CO -0.01 0.29 -0.07 0.25 0.02 0.00 0.00 177.57 178.05 1yqa h LEU 202 N 0.75 0.33 -0.59 2.57 5.85 -0.83 -2.38 115.31 121.02 1yqa h LEU 202 Ca 0.18 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1yqa h LEU 202 Cb 0.27 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1yqa h LEU 202 CO -0.01 0.67 0.30 0.50 -0.34 0.00 0.00 178.44 179.56 1yqa h LYS 203 N -0.01 0.83 -0.22 1.25 3.64 -0.28 0.37 116.57 122.16 1yqa h LYS 203 Ca 0.03 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1yqa h LYS 203 Cb 0.54 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1yqa h LYS 203 CO 0.02 0.66 0.02 1.57 -2.27 0.00 0.00 179.45 179.45 1yqa h LYS 204 N 0.79 0.32 0.07 1.90 2.10 -0.77 0.43 116.57 121.41 1yqa h LYS 204 Ca 0.20 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.67 1yqa h LYS 204 Cb 0.09 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1yqa h LYS 204 CO -0.03 0.34 -0.58 -0.92 -2.00 0.00 0.00 179.45 176.25 1yqa h TYR 205 N 0.32 0.46 -0.68 0.07 3.20 -0.80 -1.73 116.97 117.81 1yqa h TYR 205 Ca 0.08 -0.30 0.02 0.00 3.14 0.00 0.00 58.73 61.67 1yqa h TYR 205 Cb 0.19 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1yqa h TYR 205 CO 0.00 1.18 0.44 0.28 -1.64 0.00 0.00 178.16 178.42 1yqa h VAL 206 N -0.39 1.12 -0.50 1.81 2.07 -0.02 0.17 116.25 120.51 1yqa h VAL 206 Ca -0.09 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1yqa h VAL 206 Cb 1.39 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1yqa h VAL 206 CO 0.11 0.16 -0.08 0.11 0.02 0.00 0.00 177.57 177.89 1yqa h LYS 207 N 0.87 0.93 -0.40 1.57 1.57 -0.99 -0.18 116.57 119.94 1yqa h LYS 207 Ca 0.27 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1yqa h LYS 207 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1yqa h LYS 207 CO -0.09 0.99 -0.13 0.22 -0.57 0.00 0.00 179.45 179.87 1yqa h ASP 208 N 0.79 0.80 0.32 0.86 3.58 -0.63 -3.23 116.42 118.91 1yqa h ASP 208 Ca 0.13 -0.38 -0.27 0.00 0.42 0.00 0.00 57.03 56.94 1yqa h ASP 208 Cb 0.62 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.47 1yqa h ASP 208 CO 0.04 1.00 -1.13 0.71 -2.88 0.00 0.00 179.24 176.98 1yqa h THR 209 N 0.60 1.38 -3.51 2.25 1.35 -0.68 -3.40 112.91 110.89 1yqa h THR 209 Ca 0.10 -2.59 -0.69 0.00 -0.55 0.00 0.00 66.41 62.68 1yqa h THR 209 Cb 0.66 2.64 -0.36 0.00 -1.73 0.00 0.00 68.15 69.37 1yqa h THR 209 CO 0.05 0.77 -0.49 -0.31 -0.25 0.00 0.00 175.52 175.29 1yqa s TYR 210 N -3.02 3.49 0.22 4.73 1.51 -0.08 -4.94 117.35 119.26 1yqa s TYR 210 Ca -0.07 -2.63 0.32 0.00 -1.01 0.00 0.00 57.07 53.68 1yqa s TYR 210 Cb 0.07 -3.17 1.73 0.00 -0.11 0.00 0.00 41.96 40.49 1yqa s TYR 210 CO 0.90 -0.90 1.97 -1.35 -1.11 0.00 0.00 175.55 175.06 1yqa h PRO 211 N 7.49 0.00 -0.25 -1.71 0.11 -1.79 -1.74 132.00 134.11 1yqa h PRO 211 Ca -0.07 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.85 1yqa h PRO 211 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1yqa h PRO 211 CO 0.69 0.00 -0.59 -0.84 -0.21 0.00 0.00 178.00 177.05 1yqa h ILE 212 N 0.00 1.28 0.00 4.15 3.07 -1.92 -1.96 117.51 122.14 1yqa h ILE 212 Ca 0.00 -1.79 -0.15 0.00 1.55 0.00 0.00 64.86 64.47 1yqa h ILE 212 Cb 0.04 1.72 -0.02 0.00 -0.27 0.00 0.00 36.82 38.29 1yqa h ILE 212 CO 0.00 0.58 -0.70 -0.37 -1.05 0.00 0.00 178.15 176.61 1yqa h VAL 213 N 0.60 1.47 0.00 0.16 -1.51 -1.64 -2.65 116.25 112.68 1yqa h VAL 213 Ca 0.00 -2.41 -0.03 0.00 -1.23 0.00 0.00 66.70 63.03 1yqa h VAL 213 Cb 1.19 2.31 -0.00 0.00 -2.13 0.00 0.00 31.29 32.66 1yqa h VAL 213 CO 0.13 0.68 -0.16 1.23 -1.23 0.00 0.00 177.57 178.22 1yqa h GLY 214 N 2.17 0.00 -4.60 5.19 0.00 -1.28 -2.77 103.07 101.78 1yqa h GLY 214 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.70 1yqa h GLY 214 CO 0.09 0.00 0.73 1.44 0.00 0.00 0.00 176.54 178.80 1yqa n SER 215 N -4.27 7.05 -3.71 0.19 7.64 -0.75 -4.87 113.62 114.89 1yqa n SER 215 Ca -0.02 -3.52 -0.12 0.00 1.01 0.00 0.00 58.87 56.22 1yqa n SER 215 Cb 0.23 -1.13 -0.12 0.00 -1.01 0.00 0.00 64.21 62.18 1yqa n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yqa s ALA 216 N -2.93 -0.75 0.01 -0.43 0.00 -1.05 -5.00 121.76 111.61 1yqa s ALA 216 Ca 0.55 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.52 1yqa s ALA 216 Cb 0.41 -0.79 -0.31 0.00 0.00 0.00 0.00 23.12 22.43 1yqa s ALA 216 CO -0.27 -0.27 1.02 1.03 0.00 0.00 0.00 175.76 177.26 1yqa h SER 217 N 7.29 0.72 -0.26 0.00 0.87 -1.89 -3.22 113.55 117.07 1yqa h SER 217 Ca -0.37 -0.88 -0.00 0.00 -1.23 0.00 0.00 61.79 59.32 1yqa h SER 217 Cb 1.16 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1yqa h SER 217 CO 0.32 1.53 0.00 -0.46 -0.53 0.00 0.00 176.83 177.70 1yqa n ASN 218 N -3.92 3.10 0.08 6.23 6.94 -1.26 -4.28 115.26 122.14 1yqa n ASN 218 Ca -0.14 -2.41 -0.12 0.00 -0.02 0.00 0.00 54.58 51.88 1yqa n ASN 218 Cb 0.93 -0.58 -0.07 0.00 -2.36 0.00 0.00 39.78 37.70 1yqa n ASN 218 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1yqa h PHE 219 N 1.75 -0.15 -0.96 -2.53 3.57 -1.86 -2.46 116.94 114.31 1yqa h PHE 219 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1yqa h PHE 219 Cb 1.16 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.86 1yqa h PHE 219 CO 0.49 -0.10 0.56 0.22 -2.23 0.00 0.00 178.31 177.26 1yqa h ASP 220 N -0.14 0.75 -0.07 0.41 1.82 -1.84 0.74 116.42 118.09 1yqa h ASP 220 Ca 0.00 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1yqa h ASP 220 Cb 0.13 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 1yqa h ASP 220 CO -0.01 0.32 -0.01 0.22 -1.61 0.00 0.00 179.24 178.15 1yqa h TYR 221 N 0.79 0.15 -0.54 0.28 3.20 -1.85 -0.16 116.97 118.84 1yqa h TYR 221 Ca 0.52 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.33 1yqa h TYR 221 Cb 0.70 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1yqa h TYR 221 CO -0.03 0.44 0.22 -0.07 -1.64 0.00 0.00 178.16 177.08 1yqa h LEU 222 N -0.18 0.71 -0.14 2.82 3.38 -0.73 0.18 115.31 121.35 1yqa h LEU 222 Ca 0.02 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1yqa h LEU 222 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1yqa h LEU 222 CO 0.01 0.64 0.07 0.15 0.09 0.00 0.00 178.44 179.40 1yqa h PHE 223 N 0.77 0.13 -0.84 1.13 3.57 0.59 0.08 116.94 122.38 1yqa h PHE 223 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1yqa h PHE 223 Cb 0.15 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1yqa h PHE 223 CO 0.01 0.07 0.55 -0.97 -2.23 0.00 0.00 178.31 175.74 1yqa h ASN 224 N 0.15 0.94 -0.42 0.41 -0.73 -0.15 -2.42 115.58 113.36 1yqa h ASN 224 Ca 0.06 -0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.13 1yqa h ASN 224 Cb 0.01 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.35 1yqa h ASN 224 CO -0.04 0.67 0.00 -1.28 -0.37 0.00 0.00 177.43 176.41 1yqa h SER 225 N 1.10 0.79 -0.35 1.15 0.87 -0.04 0.29 113.55 117.36 1yqa h SER 225 Ca 0.32 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1yqa h SER 225 Cb -0.08 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1yqa h SER 225 CO -0.09 0.85 0.21 0.00 -0.53 0.00 0.00 176.83 177.27 1yqa h ALA 226 N 1.24 0.44 -0.45 6.23 0.00 -0.53 -1.34 119.26 124.86 1yqa h ALA 226 Ca 0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1yqa h ALA 226 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1yqa h ALA 226 CO 0.02 -0.06 -0.24 0.82 0.00 0.00 0.00 179.25 179.79 1yqa h ILE 227 N 0.45 1.27 -0.84 0.00 2.04 -1.10 -2.52 117.51 116.82 1yqa h ILE 227 Ca 0.12 -1.39 0.10 0.00 1.00 0.00 0.00 64.86 64.69 1yqa h ILE 227 Cb 0.01 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1yqa h ILE 227 CO -0.02 0.48 0.48 0.50 0.00 0.00 0.00 178.15 179.58 1yqa h LYS 228 N 0.80 0.78 -0.50 2.37 3.64 0.01 0.17 116.57 123.84 1yqa h LYS 228 Ca 0.10 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1yqa h LYS 228 Cb 0.80 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1yqa h LYS 228 CO 0.07 0.52 -0.09 0.87 -2.27 0.00 0.00 179.45 178.55 1yqa h LYS 229 N 0.80 0.92 -0.65 1.90 1.57 -1.11 -3.03 116.57 116.97 1yqa h LYS 229 Ca 0.40 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1yqa h LYS 229 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1yqa h LYS 229 CO -0.25 0.96 0.15 0.00 -0.57 0.00 0.00 179.45 179.75 1yqa h VAL 231 N 0.97 1.25 -0.08 0.00 -1.51 -0.45 0.42 116.25 116.86 1yqa h VAL 231 Ca 0.21 -1.07 -0.08 0.00 -1.23 0.00 0.00 66.70 64.52 1yqa h VAL 231 Cb 0.35 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1yqa h VAL 231 CO 0.00 0.38 -0.28 -0.33 -1.23 0.00 0.00 177.57 176.11 1yqa h GLU 232 N 0.79 0.33 -0.05 5.19 5.08 -1.54 -3.14 114.58 121.23 1yqa h GLU 232 Ca 0.15 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1yqa h GLU 232 Cb 0.50 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yqa h GLU 232 CO 0.02 0.88 0.01 -0.91 -1.00 0.00 0.00 179.01 178.01 1yqa h ASN 233 N -0.15 0.06 -0.12 1.42 2.35 -1.12 -3.46 115.58 114.56 1yqa h ASN 233 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1yqa h ASN 233 Cb 0.91 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1yqa h ASN 233 CO 0.06 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1yqa n GLY 234 N -1.46 0.96 0.13 2.83 0.00 0.12 -4.99 105.19 102.79 1yqa n GLY 234 Ca -0.02 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1yqa n GLY 234 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yqa n GLU 235 N -0.87 0.59 -4.95 1.61 -0.58 0.38 -4.44 120.64 112.38 1yqa n GLU 235 Ca 0.00 0.34 -0.28 0.00 -0.42 0.00 0.00 57.16 56.80 1yqa n GLU 235 Cb 0.32 -1.57 -0.15 0.00 -0.57 0.00 0.00 31.44 29.47 1yqa n GLU 235 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1yqa s LEU 236 N -7.54 2.10 -0.07 -4.62 1.02 -1.12 -1.70 118.68 106.74 1yqa s LEU 236 Ca -0.36 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.37 1yqa s LEU 236 Cb 0.12 -1.13 -0.01 0.00 0.02 0.00 0.00 46.19 45.19 1yqa s LEU 236 CO 0.53 0.24 -0.21 0.68 0.02 0.00 0.00 176.35 177.61 1yqa s VAL 237 N -0.64 2.36 -0.62 -1.59 -7.23 0.75 -2.47 120.40 110.95 1yqa s VAL 237 Ca 0.09 -0.94 0.05 0.00 -1.81 0.00 0.00 61.98 59.36 1yqa s VAL 237 Cb -0.09 -1.90 0.17 0.00 0.56 0.00 0.00 36.38 35.12 1yqa s VAL 237 CO 0.00 0.56 0.46 0.00 -0.31 0.00 0.00 175.10 175.81 1yqa n GLN 238 N 3.04 1.37 -0.19 4.82 6.02 -1.26 -1.02 117.38 130.16 1yqa n GLN 238 Ca -0.18 -4.12 -0.01 0.00 -0.01 0.00 0.00 57.00 52.69 1yqa n GLN 238 Cb 0.52 -2.11 0.10 0.00 1.02 0.00 0.00 30.24 29.77 1yqa n GLN 238 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1yqa h PRO 239 N 5.43 0.35 0.19 -1.09 0.13 -1.95 -3.13 132.00 131.94 1yqa h PRO 239 Ca 0.18 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1yqa h PRO 239 Cb 0.80 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1yqa h PRO 239 CO 0.62 0.23 -0.09 0.87 -0.23 0.00 0.00 178.00 179.40 1yqa h LYS 240 N 0.36 -0.25 0.00 0.86 1.57 -1.93 -3.50 116.57 113.68 1yqa h LYS 240 Ca 0.29 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1yqa h LYS 240 Cb 0.37 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1yqa h LYS 240 CO -0.31 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.13 1yqa n GLY 241 N 0.46 -0.75 0.34 3.86 0.00 -1.18 -4.87 105.19 103.05 1yqa n GLY 241 Ca -0.08 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 1yqa n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yqa h PRO 242 N 0.00 1.11 -0.28 1.61 0.13 -1.97 -0.19 132.00 132.41 1yqa h PRO 242 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1yqa h PRO 242 Cb 0.00 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 30.88 1yqa h PRO 242 CO 0.00 0.74 0.00 -1.13 -0.23 0.00 0.00 178.00 177.38 1yqa n SER 243 N -4.51 2.01 -4.91 1.44 3.41 -1.26 -4.90 113.62 104.90 1yqa n SER 243 Ca 0.11 -1.85 -0.28 0.00 -0.26 0.00 0.00 58.87 56.60 1yqa n SER 243 Cb 0.08 -0.18 0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1yqa n SER 243 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1yqa s GLY 244 N -1.34 1.61 0.18 5.00 0.00 -0.08 -4.54 107.32 108.15 1yqa s GLY 244 Ca 0.31 -0.60 -0.32 0.00 0.00 0.00 0.00 44.72 44.11 1yqa s GLY 244 CO 0.24 -0.28 1.74 4.51 0.00 0.00 0.00 173.10 179.30 1yqa n ILE 245 N -2.73 0.09 -2.97 0.90 3.06 -1.26 -4.22 119.36 112.24 1yqa n ILE 245 Ca 0.05 -0.02 -0.41 0.00 -2.50 0.00 0.00 62.75 59.87 1yqa n ILE 245 Cb 0.58 -1.97 -0.05 0.00 0.54 0.00 0.00 39.64 38.74 1yqa n ILE 245 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1yqa s ILE 246 N 1.54 4.88 -0.08 9.51 1.09 0.72 -4.48 121.20 134.39 1yqa s ILE 246 Ca 0.77 1.40 0.03 0.00 -1.10 0.00 0.00 60.65 61.75 1yqa s ILE 246 Cb -0.52 -4.06 -0.02 0.00 -1.06 0.00 0.00 42.46 36.80 1yqa s ILE 246 CO 0.34 -0.05 -0.15 -0.54 -0.10 0.00 0.00 174.94 174.45 1yqa s LYS 247 N 2.74 2.79 -0.23 2.79 1.02 -0.19 -0.28 119.74 128.38 1yqa s LYS 247 Ca 0.32 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 1yqa s LYS 247 Cb -0.15 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 1yqa s LYS 247 CO 0.08 0.48 1.33 -1.17 -0.92 0.00 0.00 175.35 175.14 1yqa s LEU 248 N -0.35 4.01 -1.24 3.17 2.96 -1.25 -0.18 118.68 125.81 1yqa s LEU 248 Ca 0.03 1.47 -0.20 0.00 -0.22 0.00 0.00 54.13 55.21 1yqa s LEU 248 Cb -0.12 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1yqa s LEU 248 CO 0.02 -0.97 1.83 0.21 -1.32 0.00 0.00 176.35 176.13 1yqa s ASN 249 N 2.63 5.94 0.00 3.68 2.47 -0.69 -4.78 114.94 124.18 1yqa s ASN 249 Ca 0.58 -2.04 0.00 0.00 0.42 0.00 0.00 52.86 51.81 1yqa s ASN 249 Cb -0.20 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 1yqa s ASN 249 CO 0.20 -2.12 1.37 0.29 -3.72 0.00 0.00 177.10 173.12 1yqa n LYS 250 N 8.35 0.83 -0.11 0.43 5.02 -1.26 -2.71 118.16 128.71 1yqa n LYS 250 Ca 0.47 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 1yqa n LYS 250 Cb 0.46 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 1yqa n LYS 250 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yqa n LYS 251 N 1.23 0.53 -3.35 1.97 4.76 -1.26 -4.92 118.16 117.12 1yqa n LYS 251 Ca 0.00 0.15 -0.37 0.00 -2.87 0.00 0.00 58.31 55.22 1yqa n LYS 251 Cb 0.42 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 1yqa n LYS 251 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1yqa s LYS 252 N -2.43 4.07 0.02 1.97 2.36 -1.10 -5.00 119.74 119.62 1yqa s LYS 252 Ca -0.30 0.59 -0.33 0.00 -2.55 0.00 0.00 55.97 53.37 1yqa s LYS 252 Cb 0.09 -3.13 -0.12 0.00 -1.05 0.00 0.00 37.83 33.63 1yqa s LYS 252 CO 0.48 0.59 1.82 1.33 1.55 0.00 0.00 175.35 181.12 1yqa n VAL 253 N 1.41 0.44 -2.38 4.02 0.24 -1.26 -4.94 118.33 115.86 1yqa n VAL 253 Ca -0.09 -0.08 -0.38 0.00 -2.04 0.00 0.00 64.34 61.75 1yqa n VAL 253 Cb 0.51 -1.89 -0.03 0.00 -1.47 0.00 0.00 33.84 30.96 1yqa n VAL 253 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1yqa s LYS 254 N 3.21 4.17 0.00 7.34 2.20 -1.26 -5.05 119.74 130.35 1yqa s LYS 254 Ca 0.87 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1yqa s LYS 254 Cb -0.63 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1yqa s LYS 254 CO 0.45 -0.19 0.00 1.28 -0.36 0.00 0.00 175.35 176.53 1yqa n LEU 255 N 0.22 0.00 -3.42 5.43 4.77 -1.26 -4.87 117.00 117.86 1yqa n LEU 255 Ca 0.04 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 1yqa n LEU 255 Cb 0.47 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1yqa n LEU 255 CO 0.50 0.00 0.04 -1.20 -1.33 0.00 0.00 177.39 175.40 1yqa n SER 256 N 0.00 -3.79 0.00 -1.43 7.64 -1.26 -5.10 113.62 109.67 1yqa n SER 256 Ca 0.00 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1yqa n SER 256 Cb 0.00 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.31 1yqa n SER 256 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44