#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqa s ALA 172 N 0.00 3.52 0.03 7.82 0.00 -1.26 -4.94 121.76 126.93 1yqa s ALA 172 Ca 0.00 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.86 1yqa s ALA 172 Cb 0.00 -3.48 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 1yqa s ALA 172 CO 0.00 -0.54 1.35 1.03 0.00 0.00 0.00 175.76 177.60 1yqa h SER 173 N 5.21 0.26 -3.24 0.00 0.87 -1.99 -3.42 113.55 111.25 1yqa h SER 173 Ca -0.45 -0.46 -0.53 0.00 -1.23 0.00 0.00 61.79 59.12 1yqa h SER 173 Cb 1.22 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1yqa h SER 173 CO 0.76 0.66 0.58 -0.44 -0.53 0.00 0.00 176.83 177.87 1yqa s SER 174 N -5.95 7.04 0.00 6.23 0.01 -1.26 -5.03 113.70 114.74 1yqa s SER 174 Ca -0.15 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1yqa s SER 174 Cb 0.04 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1yqa s SER 174 CO 0.73 -0.47 0.00 -0.81 0.41 0.00 0.00 173.24 173.09 1yqa n PRO 175 N 3.57 3.21 -3.71 12.44 -0.04 -1.26 -4.78 135.00 144.42 1yqa n PRO 175 Ca 0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 1yqa n PRO 175 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 1yqa n PRO 175 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1yqa s SER 176 N -1.49 -0.19 -1.07 3.54 0.01 -1.26 -4.52 113.70 108.72 1yqa s SER 176 Ca 0.00 -0.45 -0.00 0.00 1.31 0.00 0.00 55.95 56.81 1yqa s SER 176 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1yqa s SER 176 CO 0.00 -0.90 0.89 -1.20 0.41 0.00 0.00 173.24 172.44 1yqa n SER 177 N -0.24 -2.04 -4.33 2.44 7.64 -1.26 -5.03 113.62 110.79 1yqa n SER 177 Ca -0.13 -0.55 -0.17 0.00 1.01 0.00 0.00 58.87 59.02 1yqa n SER 177 Cb 0.63 -4.63 -0.10 0.00 -1.01 0.00 0.00 64.21 59.10 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 -5.89 2.40 0.63 -3.43 1.43 -1.26 -5.13 118.68 107.42 1yqa s LEU 178 Ca 0.00 -1.13 -0.18 0.00 -1.03 0.00 0.00 54.13 51.79 1yqa s LEU 178 Cb -0.00 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 1yqa s LEU 178 CO 0.65 -0.37 1.24 -0.89 0.23 0.00 0.00 176.35 177.21 1yqa s THR 179 N -3.24 2.36 0.35 5.49 2.01 -1.26 -4.80 115.64 116.56 1yqa s THR 179 Ca 0.25 0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.54 1yqa s THR 179 Cb 0.03 -3.05 0.32 0.00 0.01 0.00 0.00 72.50 69.81 1yqa s THR 179 CO 0.07 -0.05 1.88 1.88 -0.69 0.00 0.00 174.62 177.70 1yqa h TYR 180 N 0.62 0.84 -0.35 4.92 -1.99 -1.99 0.13 116.97 119.14 1yqa h TYR 180 Ca -0.50 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.25 1yqa h TYR 180 Cb 1.31 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.76 1yqa h TYR 180 CO 0.45 0.33 0.22 -0.22 -0.00 0.00 0.00 178.16 178.94 1yqa h LYS 181 N 0.73 0.47 -0.34 4.88 3.64 -1.90 -2.52 116.57 121.53 1yqa h LYS 181 Ca 0.43 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1yqa h LYS 181 Cb 0.64 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1yqa h LYS 181 CO -0.20 0.33 0.14 0.93 -2.27 0.00 0.00 179.45 178.39 1yqa h GLU 182 N 0.46 0.47 -0.14 1.90 4.39 -1.35 -1.43 114.58 118.88 1yqa h GLU 182 Ca 0.13 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1yqa h GLU 182 Cb -0.03 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1yqa h GLU 182 CO -0.03 0.38 0.01 0.52 -1.16 0.00 0.00 179.01 178.74 1yqa h MET 183 N 0.47 0.06 -0.29 2.33 2.86 -0.87 -1.86 114.93 117.63 1yqa h MET 183 Ca 0.12 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1yqa h MET 183 Cb 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1yqa h MET 183 CO -0.01 0.04 -0.20 0.82 1.06 0.00 0.00 176.91 178.62 1yqa h ILE 184 N 0.06 1.30 -0.99 -1.22 2.04 -1.33 -1.97 117.51 115.40 1yqa h ILE 184 Ca 0.06 -1.33 0.15 0.00 1.00 0.00 0.00 64.86 64.74 1yqa h ILE 184 Cb 0.07 1.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.57 1yqa h ILE 184 CO -0.10 0.42 0.62 -0.07 0.00 0.00 0.00 178.15 179.03 1yqa h LEU 185 N 0.40 0.84 -0.11 1.44 3.38 -1.06 0.45 115.31 120.64 1yqa h LEU 185 Ca 0.06 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1yqa h LEU 185 Cb 0.74 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1yqa h LEU 185 CO 0.05 0.39 -0.65 0.50 0.09 0.00 0.00 178.44 178.83 1yqa h LYS 186 N 0.87 0.63 -0.00 1.13 1.63 -1.27 -3.29 116.57 116.27 1yqa h LYS 186 Ca 0.52 -0.53 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 1yqa h LYS 186 Cb 0.67 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1yqa h LYS 186 CO -0.30 1.15 -0.46 0.77 -3.45 0.00 0.00 179.45 177.17 1yqa h SER 187 N 0.28 0.00 0.04 4.20 0.02 -0.31 -3.34 113.55 114.45 1yqa h SER 187 Ca -0.05 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1yqa h SER 187 Cb 1.29 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 1yqa h SER 187 CO 0.13 0.46 -0.43 0.24 -1.14 0.00 0.00 176.83 176.09 1yqa h MET 188 N 0.00 -0.59 -0.07 3.45 2.86 -0.26 -0.65 114.93 119.67 1yqa h MET 188 Ca -0.00 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1yqa h MET 188 Cb 0.82 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 1yqa h MET 188 CO 0.06 -0.39 0.06 -1.35 1.06 0.00 0.00 176.91 176.35 1yqa h PRO 189 N -0.61 0.00 -0.30 -0.22 0.11 -1.76 -1.28 132.00 127.94 1yqa h PRO 189 Ca 0.04 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.96 1yqa h PRO 189 Cb 0.67 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1yqa h PRO 189 CO -0.30 0.00 -0.53 1.96 -0.21 0.00 0.00 178.00 178.93 1yqa h GLN 190 N 0.00 0.86 -5.44 1.05 1.08 -1.44 -3.22 115.11 108.00 1yqa h GLN 190 Ca 0.04 -0.53 -0.63 0.00 -1.45 0.00 0.00 58.65 56.08 1yqa h GLN 190 Cb 0.16 0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 27.51 1yqa h GLN 190 CO -0.00 1.17 0.10 -0.51 -0.95 0.00 0.00 178.83 178.64 1yqa s LEU 191 N -8.69 4.19 -1.34 1.46 1.43 -0.35 -4.30 118.68 111.08 1yqa s LEU 191 Ca -0.10 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1yqa s LEU 191 Cb 0.10 -2.76 0.06 0.00 0.03 0.00 0.00 46.19 43.62 1yqa s LEU 191 CO 0.89 -0.49 0.51 0.59 0.23 0.00 0.00 176.35 178.08 1yqa n ASN 192 N 5.86 -4.27 -3.13 2.29 3.02 -1.26 -1.09 115.26 116.69 1yqa n ASN 192 Ca -0.02 -0.35 -0.22 0.00 -0.03 0.00 0.00 54.58 53.96 1yqa n ASN 192 Cb 0.49 -3.51 0.02 0.00 -0.61 0.00 0.00 39.78 36.16 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 -2.33 -4.94 -0.99 6.41 8.00 -1.22 -1.37 116.55 120.12 1yqa n ASP 193 Ca -0.04 -0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.03 1yqa n ASP 193 Cb 0.56 -4.03 -0.06 0.00 -0.02 0.00 0.00 41.12 37.57 1yqa n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yqa n GLY 194 N -1.32 1.36 0.17 0.44 0.00 -0.25 -4.82 105.19 100.77 1yqa n GLY 194 Ca -0.07 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 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 0.03 0.59 0.00 1.61 1.57 -1.36 -3.13 116.57 115.87 1yqa h LYS 195 Ca -0.26 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 57.88 1yqa h LYS 195 Cb 0.89 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1yqa h LYS 195 CO 0.39 1.24 0.00 0.41 -0.57 0.00 0.00 179.45 180.92 1yqa n GLY 196 N 1.09 2.69 2.96 3.86 0.00 -1.26 -4.31 105.19 110.22 1yqa n GLY 196 Ca -0.11 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.13 0.50 1.61 0.01 0.13 -4.64 113.70 111.18 1yqa s SER 197 Ca 0.00 0.30 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 1yqa s SER 197 Cb 0.00 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 1yqa s SER 197 CO 0.00 -0.11 1.38 -0.55 0.41 0.00 0.00 173.24 174.36 1yqa s SER 198 N 0.80 5.58 0.32 2.44 0.15 -1.26 -0.03 113.70 121.70 1yqa s SER 198 Ca -0.06 2.81 0.05 0.00 0.70 0.00 0.00 55.95 59.45 1yqa s SER 198 Cb -0.08 -2.64 0.70 0.00 -1.71 0.00 0.00 66.02 62.29 1yqa s SER 198 CO -0.04 -1.36 1.84 -0.09 1.20 0.00 0.00 173.24 174.79 1yqa h ARG 199 N 1.87 0.80 -0.03 5.44 2.43 -1.76 0.30 114.38 123.43 1yqa h ARG 199 Ca -0.51 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1yqa h ARG 199 Cb 1.28 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1yqa h ARG 199 CO 0.59 0.53 0.02 0.82 -1.51 0.00 0.00 179.97 180.42 1yqa h ILE 200 N 0.83 1.05 -0.08 1.20 2.04 -1.91 0.16 117.51 120.81 1yqa h ILE 200 Ca 0.49 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 66.03 1yqa h ILE 200 Cb 0.65 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1yqa h ILE 200 CO -0.25 0.04 -0.69 1.62 0.00 0.00 0.00 178.15 178.87 1yqa h VAL 201 N -0.01 1.38 -0.01 1.67 3.04 -1.70 -2.19 116.25 118.44 1yqa h VAL 201 Ca 0.01 -2.09 -0.00 0.00 -1.01 0.00 0.00 66.70 63.61 1yqa h VAL 201 Cb 0.05 2.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1yqa h VAL 201 CO -0.00 0.63 0.00 0.25 -1.01 0.00 0.00 177.57 177.43 1yqa h LEU 202 N 0.26 0.01 -1.36 3.16 5.85 -0.29 -1.45 115.31 121.49 1yqa h LEU 202 Ca -0.02 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1yqa h LEU 202 Cb 1.24 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1yqa h LEU 202 CO 0.12 0.32 0.44 0.50 -0.34 0.00 0.00 178.44 179.47 1yqa h LYS 203 N -0.30 0.85 -0.50 1.25 3.64 -0.71 0.38 116.57 121.19 1yqa h LYS 203 Ca 0.00 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1yqa h LYS 203 Cb 0.31 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1yqa h LYS 203 CO 0.00 0.56 0.25 -0.22 -2.27 0.00 0.00 179.45 177.77 1yqa h LYS 204 N 0.87 0.48 -0.16 1.90 3.64 -1.18 0.22 116.57 122.34 1yqa h LYS 204 Ca 0.25 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1yqa h LYS 204 Cb -0.06 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1yqa h LYS 204 CO -0.06 0.32 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.21 1yqa h TYR 205 N 0.49 0.62 -0.52 1.91 3.20 0.04 -0.56 116.97 122.15 1yqa h TYR 205 Ca 0.22 -0.22 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1yqa h TYR 205 Cb 0.12 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1yqa h TYR 205 CO -0.10 0.93 0.24 0.28 -1.64 0.00 0.00 178.16 177.87 1yqa h VAL 206 N 0.13 0.91 -0.39 1.81 2.07 -0.09 0.41 116.25 121.09 1yqa h VAL 206 Ca 0.01 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1yqa h VAL 206 Cb 0.89 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1yqa h VAL 206 CO 0.07 0.09 -0.02 0.11 0.02 0.00 0.00 177.57 177.84 1yqa h LYS 207 N 0.47 0.71 -0.61 1.57 1.57 -0.94 -1.26 116.57 118.08 1yqa h LYS 207 Ca 0.24 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1yqa h LYS 207 Cb 0.18 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1yqa h LYS 207 CO -0.19 0.81 0.15 0.22 -0.57 0.00 0.00 179.45 179.87 1yqa h ASP 208 N 0.53 0.92 0.17 0.86 1.82 -0.33 -3.22 116.42 117.17 1yqa h ASP 208 Ca 0.11 -0.23 -0.24 0.00 -0.39 0.00 0.00 57.03 56.28 1yqa h ASP 208 Cb 0.50 -0.24 0.03 0.00 0.68 0.00 0.00 39.33 40.29 1yqa h ASP 208 CO 0.02 0.91 -1.04 0.71 -1.61 0.00 0.00 179.24 178.24 1yqa h THR 209 N 0.89 1.43 -3.38 2.25 1.35 -0.97 -3.41 112.91 111.05 1yqa h THR 209 Ca 0.19 -2.56 -0.72 0.00 -0.55 0.00 0.00 66.41 62.77 1yqa h THR 209 Cb 0.35 3.10 -0.29 0.00 -1.73 0.00 0.00 68.15 69.58 1yqa h THR 209 CO 0.00 0.74 -0.43 -0.31 -0.25 0.00 0.00 175.52 175.27 1yqa s TYR 210 N -2.55 3.38 0.43 4.73 1.51 -0.48 -4.85 117.35 119.53 1yqa s TYR 210 Ca -0.12 -1.70 0.11 0.00 -1.01 0.00 0.00 57.07 54.35 1yqa s TYR 210 Cb 0.02 -3.21 0.95 0.00 -0.11 0.00 0.00 41.96 39.61 1yqa s TYR 210 CO 0.87 -0.92 2.02 -1.35 -1.11 0.00 0.00 175.55 175.07 1yqa h PRO 211 N 8.42 0.24 -0.57 -1.71 0.11 -1.81 -2.24 132.00 134.44 1yqa h PRO 211 Ca -0.22 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 1yqa h PRO 211 Cb 1.08 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1yqa h PRO 211 CO 0.80 0.26 0.19 -0.84 -0.21 0.00 0.00 178.00 178.20 1yqa h ILE 212 N 0.24 1.22 0.15 4.15 3.07 -1.92 -3.07 117.51 121.35 1yqa h ILE 212 Ca 0.06 -0.73 -0.30 0.00 1.55 0.00 0.00 64.86 65.43 1yqa h ILE 212 Cb 0.15 0.58 0.00 0.00 -0.27 0.00 0.00 36.82 37.28 1yqa h ILE 212 CO 0.00 0.28 -1.44 1.62 -1.05 0.00 0.00 178.15 177.57 1yqa h VAL 213 N 0.83 1.28 -0.11 0.16 3.04 -1.74 -3.30 116.25 116.40 1yqa h VAL 213 Ca 0.19 -2.86 -0.09 0.00 -1.01 0.00 0.00 66.70 62.93 1yqa h VAL 213 Cb 0.23 2.87 -0.04 0.00 -2.01 0.00 0.00 31.29 32.34 1yqa h VAL 213 CO -0.01 0.85 0.05 0.61 -1.01 0.00 0.00 177.57 178.06 1yqa n GLY 214 N 1.64 2.89 2.71 3.17 0.00 -0.92 -3.69 105.19 110.98 1yqa n GLY 214 Ca -0.14 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1yqa n GLY 214 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yqa n SER 215 N 1.36 -1.98 -3.81 1.61 2.88 -1.22 -4.98 113.62 107.48 1yqa n SER 215 Ca 0.11 -2.68 -0.12 0.00 -1.33 0.00 0.00 58.87 54.84 1yqa n SER 215 Cb 0.55 1.19 -0.10 0.00 -0.75 0.00 0.00 64.21 65.10 1yqa n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yqa s ALA 216 N 0.21 -0.57 -0.07 -1.46 0.00 -1.24 -5.00 121.76 113.62 1yqa s ALA 216 Ca 0.22 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 1yqa s ALA 216 Cb 0.38 -0.11 -0.18 0.00 0.00 0.00 0.00 23.12 23.21 1yqa s ALA 216 CO -0.08 -0.19 0.83 0.77 0.00 0.00 0.00 175.76 177.09 1yqa h SER 217 N 4.75 -0.09 -0.51 0.00 0.02 -1.99 -3.28 113.55 112.44 1yqa h SER 217 Ca -0.28 -0.51 -0.53 0.00 -0.84 0.00 0.00 61.79 59.63 1yqa h SER 217 Cb 1.19 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.67 1yqa h SER 217 CO 0.38 0.57 1.65 -3.20 -1.14 0.00 0.00 176.83 175.09 1yqa n ASN 218 N -4.82 7.18 -0.07 3.07 2.85 -1.26 -4.46 115.26 117.75 1yqa n ASN 218 Ca -0.08 -2.82 -0.04 0.00 -0.11 0.00 0.00 54.58 51.53 1yqa n ASN 218 Cb 0.30 -1.40 -0.01 0.00 1.24 0.00 0.00 39.78 39.90 1yqa n ASN 218 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1yqa h PHE 219 N 3.95 0.00 -0.71 1.20 3.57 -1.91 -3.32 116.94 119.72 1yqa h PHE 219 Ca 0.55 0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.06 1yqa h PHE 219 Cb 0.70 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1yqa h PHE 219 CO 1.70 0.00 0.47 0.22 -2.23 0.00 0.00 178.31 178.47 1yqa h ASP 220 N -0.99 0.81 -0.14 0.41 1.82 -1.87 0.43 116.42 116.90 1yqa h ASP 220 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1yqa h ASP 220 Cb 0.44 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 1yqa h ASP 220 CO 0.00 0.58 0.09 0.22 -1.61 0.00 0.00 179.24 178.52 1yqa h TYR 221 N 0.95 0.18 -0.47 0.28 3.20 -1.89 0.56 116.97 119.78 1yqa h TYR 221 Ca 0.26 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 1yqa h TYR 221 Cb -0.10 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1yqa h TYR 221 CO -0.00 0.14 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.36 1yqa h LEU 222 N 0.17 1.00 -0.28 2.82 3.38 -1.48 0.22 115.31 121.14 1yqa h LEU 222 Ca 0.05 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1yqa h LEU 222 Cb 0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1yqa h LEU 222 CO -0.01 1.18 -0.05 0.15 0.09 0.00 0.00 178.44 179.80 1yqa h PHE 223 N 0.84 -0.10 -0.64 1.13 3.57 0.17 0.20 116.94 122.11 1yqa h PHE 223 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1yqa h PHE 223 Cb 0.80 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1yqa h PHE 223 CO 0.05 -0.09 0.28 -0.97 -2.23 0.00 0.00 178.31 175.35 1yqa h ASN 224 N 0.03 0.86 0.36 0.41 -1.24 0.39 -2.79 115.58 113.60 1yqa h ASN 224 Ca 0.13 -0.15 -0.09 0.00 0.71 0.00 0.00 56.30 56.90 1yqa h ASN 224 Cb 0.20 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1yqa h ASN 224 CO -0.27 0.77 -0.41 0.28 -1.29 0.00 0.00 177.43 176.52 1yqa h SER 225 N 0.89 0.07 -0.61 1.15 0.02 0.28 0.30 113.55 115.65 1yqa h SER 225 Ca 0.22 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1yqa h SER 225 Cb 0.16 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1yqa h SER 225 CO -0.02 0.47 0.29 0.00 -1.14 0.00 0.00 176.83 176.43 1yqa h ALA 226 N 1.53 0.78 -0.49 3.77 0.00 -0.38 0.13 119.26 124.59 1yqa h ALA 226 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1yqa h ALA 226 Cb 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1yqa h ALA 226 CO 0.06 0.35 -0.12 0.82 0.00 0.00 0.00 179.25 180.35 1yqa h ILE 227 N 0.83 1.27 -1.00 0.00 2.04 -1.11 -0.84 117.51 118.69 1yqa h ILE 227 Ca 0.21 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.88 1yqa h ILE 227 Cb 0.12 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1yqa h ILE 227 CO -0.03 0.43 0.65 0.50 0.00 0.00 0.00 178.15 179.71 1yqa h LYS 228 N 0.82 1.14 -0.34 2.37 1.63 0.33 0.20 116.57 122.73 1yqa h LYS 228 Ca 0.13 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.69 1yqa h LYS 228 Cb 0.66 -0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1yqa h LYS 228 CO 0.05 0.76 -0.44 0.87 -3.45 0.00 0.00 179.45 177.24 1yqa h LYS 229 N 1.18 0.89 -0.79 1.90 1.57 -0.66 -3.21 116.57 117.45 1yqa h LYS 229 Ca 0.43 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1yqa h LYS 229 Cb 0.17 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1yqa h LYS 229 CO -0.17 1.15 0.43 0.00 -0.57 0.00 0.00 179.45 180.29 1yqa h VAL 231 N 1.11 1.22 -0.09 0.00 -1.51 -0.56 0.53 116.25 116.95 1yqa h VAL 231 Ca 0.28 -0.98 -0.11 0.00 -1.23 0.00 0.00 66.70 64.65 1yqa h VAL 231 Cb 0.04 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1yqa h VAL 231 CO -0.04 0.32 -0.39 -0.33 -1.23 0.00 0.00 177.57 175.90 1yqa h GLU 232 N 0.45 0.42 0.00 5.19 5.08 -1.52 -3.07 114.58 121.13 1yqa h GLU 232 Ca 0.08 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1yqa h GLU 232 Cb 0.47 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yqa h GLU 232 CO 0.03 0.97 -0.04 -0.91 -1.00 0.00 0.00 179.01 178.05 1yqa h ASN 233 N -0.02 0.00 -0.32 1.42 2.35 -0.60 -3.46 115.58 114.95 1yqa h ASN 233 Ca -0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1yqa h ASN 233 Cb 1.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.40 1yqa h ASN 233 CO 0.08 0.04 -0.06 0.61 -1.65 0.00 0.00 177.43 176.45 1yqa n GLY 234 N -0.78 0.30 0.11 2.83 0.00 0.16 -4.96 105.19 102.85 1yqa n GLY 234 Ca -0.02 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.38 0.56 -4.57 1.61 -0.58 0.32 -4.68 120.64 111.92 1yqa n GLU 235 Ca -0.03 0.37 -0.34 0.00 -0.42 0.00 0.00 57.16 56.74 1yqa n GLU 235 Cb 0.48 -1.57 -0.12 0.00 -0.57 0.00 0.00 31.44 29.66 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 -7.75 3.12 -0.10 -4.62 1.43 -1.17 -0.42 118.68 109.16 1yqa s LEU 236 Ca -0.32 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1yqa s LEU 236 Cb 0.09 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1yqa s LEU 236 CO 0.48 0.26 -0.08 0.68 0.23 0.00 0.00 176.35 177.92 1yqa s VAL 237 N -0.19 3.59 -0.58 -1.59 -7.23 0.09 -2.92 120.40 111.58 1yqa s VAL 237 Ca 0.02 -0.50 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 1yqa s VAL 237 Cb -0.13 -2.50 0.16 0.00 0.56 0.00 0.00 36.38 34.47 1yqa s VAL 237 CO 0.03 0.55 0.39 -1.10 -0.31 0.00 0.00 175.10 174.66 1yqa s GLN 238 N -0.26 1.88 0.18 4.82 -1.52 -1.26 -1.72 119.66 121.79 1yqa s GLN 238 Ca 0.03 -2.78 -0.11 0.00 -1.95 0.00 0.00 55.36 50.55 1yqa s GLN 238 Cb -0.13 -2.81 0.09 0.00 -0.22 0.00 0.00 33.01 29.95 1yqa s GLN 238 CO 0.03 -1.27 1.73 -1.00 -0.25 0.00 0.00 175.29 174.52 1yqa h PRO 239 N 5.79 0.98 0.24 2.91 0.13 -1.98 -3.35 132.00 136.73 1yqa h PRO 239 Ca 0.12 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1yqa h PRO 239 Cb 0.83 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1yqa h PRO 239 CO 0.60 0.85 -0.12 0.87 -0.23 0.00 0.00 178.00 179.97 1yqa h LYS 240 N 0.92 -0.32 0.00 0.86 1.57 -1.93 -3.51 116.57 114.16 1yqa h LYS 240 Ca 0.21 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1yqa h LYS 240 Cb 0.25 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1yqa h LYS 240 CO -0.01 -0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.07 1yqa n GLY 241 N 0.76 -0.64 0.43 3.86 0.00 -1.26 -4.96 105.19 103.39 1yqa n GLY 241 Ca -0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.02 0.00 1.61 0.13 -1.98 -3.39 132.00 127.35 1yqa h PRO 242 Ca 0.00 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1yqa h PRO 242 Cb 0.00 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1yqa h PRO 242 CO 0.00 -0.67 -0.02 0.77 -0.23 0.00 0.00 178.00 177.84 1yqa h SER 243 N -1.26 0.00 0.00 1.44 0.02 -2.01 -3.47 113.55 108.27 1yqa h SER 243 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1yqa h SER 243 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1yqa h SER 243 CO 0.18 0.35 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1yqa n GLY 244 N 1.84 2.53 3.38 -3.77 0.00 -1.26 -3.95 105.19 103.97 1yqa n GLY 244 Ca -0.00 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1yqa n GLY 244 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yqa s ILE 245 N 0.00 -0.96 -0.29 -0.61 2.07 -1.26 -4.36 121.20 115.79 1yqa s ILE 245 Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 1yqa s ILE 245 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 1yqa s ILE 245 CO 0.00 0.00 1.33 -0.63 -1.91 0.00 0.00 174.94 173.73 1yqa s ILE 246 N 2.87 4.09 -0.12 2.00 1.09 0.96 -4.56 121.20 127.52 1yqa s ILE 246 Ca 0.07 1.23 -0.01 0.00 -1.10 0.00 0.00 60.65 60.85 1yqa s ILE 246 Cb -0.13 -4.11 -0.02 0.00 -1.06 0.00 0.00 42.46 37.14 1yqa s ILE 246 CO -0.20 -0.46 -0.10 -0.54 -0.10 0.00 0.00 174.94 173.54 1yqa s LYS 247 N 4.23 3.32 -0.43 2.79 1.02 -0.70 0.17 119.74 130.14 1yqa s LYS 247 Ca 0.58 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.66 1yqa s LYS 247 Cb -0.17 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1yqa s LYS 247 CO 0.24 0.30 1.73 -1.17 -0.92 0.00 0.00 175.35 175.54 1yqa s LEU 248 N 0.14 3.45 0.08 3.17 2.96 -1.18 -0.73 118.68 126.57 1yqa s LEU 248 Ca -0.05 0.90 -0.31 0.00 -0.22 0.00 0.00 54.13 54.45 1yqa s LEU 248 Cb -0.14 -3.21 -0.06 0.00 0.50 0.00 0.00 46.19 43.27 1yqa s LEU 248 CO 0.04 -1.85 1.23 0.21 -1.32 0.00 0.00 176.35 174.66 1yqa s ASN 249 N 6.23 7.03 -0.21 3.68 2.47 0.44 -4.87 114.94 129.71 1yqa s ASN 249 Ca 0.72 2.09 0.18 0.00 0.42 0.00 0.00 52.86 56.27 1yqa s ASN 249 Cb -0.18 -2.58 0.47 0.00 -1.45 0.00 0.00 41.25 37.51 1yqa s ASN 249 CO 0.29 -0.49 1.16 1.17 -3.72 0.00 0.00 177.10 175.51 1yqa n LYS 250 N 3.79 1.89 -1.33 0.43 3.00 -1.26 -4.79 118.16 119.89 1yqa n LYS 250 Ca 0.09 -3.37 -0.37 0.00 -0.00 0.00 0.00 58.31 54.65 1yqa n LYS 250 Cb 0.45 -1.48 -0.04 0.00 0.00 0.00 0.00 35.03 33.96 1yqa n LYS 250 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1yqa n LYS 251 N -0.48 3.65 -1.64 1.64 5.02 -1.26 -4.94 118.16 120.15 1yqa n LYS 251 Ca 0.18 -2.19 -0.47 0.00 -2.02 0.00 0.00 58.31 53.81 1yqa n LYS 251 Cb 0.90 -2.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 1yqa n LYS 251 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1yqa n LYS 252 N 3.40 1.71 -3.25 1.97 2.85 -1.26 -4.97 118.16 118.61 1yqa n LYS 252 Ca 0.76 0.61 -0.39 0.00 -1.05 0.00 0.00 58.31 58.24 1yqa n LYS 252 Cb 0.27 -2.24 -0.06 0.00 -0.65 0.00 0.00 35.03 32.35 1yqa n LYS 252 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1yqa s VAL 253 N 0.15 4.83 0.26 0.58 -7.23 -1.26 -4.84 120.40 112.90 1yqa s VAL 253 Ca 0.74 1.22 0.00 0.00 -1.81 0.00 0.00 61.98 62.12 1yqa s VAL 253 Cb -0.75 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.28 1yqa s VAL 253 CO 0.48 0.49 0.00 2.29 -0.31 0.00 0.00 175.10 178.04 1yqa n LYS 254 N 2.23 -2.04 -0.19 4.82 2.85 -1.26 -4.74 118.16 119.83 1yqa n LYS 254 Ca -0.09 1.55 -0.05 0.00 -1.05 0.00 0.00 58.31 58.67 1yqa n LYS 254 Cb 0.51 -1.83 0.12 0.00 -0.65 0.00 0.00 35.03 33.18 1yqa n LYS 254 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1yqa h LEU 255 N 0.43 0.92 -8.93 -5.58 -0.00 -2.04 -3.40 115.31 96.71 1yqa h LEU 255 Ca 0.00 -0.18 -0.57 0.00 -0.00 0.00 0.00 57.88 57.13 1yqa h LEU 255 Cb 0.22 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 40.58 1yqa h LEU 255 CO 0.00 0.89 0.93 -0.44 -0.00 0.00 0.00 178.44 179.82 1yqa s SER 256 N -6.52 6.74 0.00 -0.43 0.01 -1.26 -5.14 113.70 107.10 1yqa s SER 256 Ca -0.11 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1yqa s SER 256 Cb 0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1yqa s SER 256 CO 0.82 -1.05 0.00 0.41 0.41 0.00 0.00 173.24 173.84