#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gws h GLU 203 N 0.00 0.61 -0.24 5.31 4.81 -2.02 0.03 114.58 123.08 3gws h GLU 203 Ca 0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 3gws h GLU 203 Cb 0.00 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 3gws h GLU 203 CO 0.00 0.41 -0.34 1.25 -0.73 0.00 0.00 179.01 179.60 3gws h LEU 204 N 0.63 0.72 -0.66 1.64 5.85 -2.02 -2.49 115.31 118.98 3gws h LEU 204 Ca 0.35 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3gws h LEU 204 Cb 0.50 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3gws h LEU 204 CO -0.12 1.09 0.32 -0.61 -0.34 0.00 0.00 178.44 178.77 3gws h GLN 205 N 0.37 0.95 -0.39 1.25 4.15 -1.62 -2.37 115.11 117.44 3gws h GLN 205 Ca 0.03 -0.14 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 3gws h GLN 205 Cb 0.92 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 3gws h GLN 205 CO 0.08 0.76 -0.12 0.87 -1.93 0.00 0.00 178.83 178.48 3gws h LYS 206 N 0.91 0.70 -0.06 1.69 1.57 -1.07 -2.45 116.57 117.88 3gws h LYS 206 Ca 0.23 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3gws h LYS 206 Cb 0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3gws h LYS 206 CO -0.03 0.80 -0.17 0.77 -0.57 0.00 0.00 179.45 180.25 3gws h SER 207 N 0.64 -0.51 -0.08 0.86 0.02 -0.96 -0.43 113.55 113.09 3gws h SER 207 Ca 0.11 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3gws h SER 207 Cb 0.58 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3gws h SER 207 CO 0.04 -0.23 0.12 0.40 -1.14 0.00 0.00 176.83 176.02 3gws h ILE 208 N -0.25 0.37 0.00 3.27 2.04 -1.34 -3.45 117.51 118.15 3gws h ILE 208 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3gws h ILE 208 Cb 0.35 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3gws h ILE 208 CO -0.20 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.56 3gws n GLY 209 N -1.31 1.11 3.77 5.37 0.00 -0.17 -5.09 105.19 108.86 3gws n GLY 209 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3gws n GLY 209 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gws s HIS 210 N -2.00 3.84 -0.56 1.61 3.76 -0.94 -5.00 115.29 116.00 3gws s HIS 210 Ca 0.00 1.82 -0.10 0.00 -0.15 0.00 0.00 55.06 56.63 3gws s HIS 210 Cb 0.00 -2.92 0.14 0.00 1.11 0.00 0.00 32.58 30.91 3gws s HIS 210 CO 0.00 0.35 0.45 0.15 -0.85 0.00 0.00 174.74 174.84 3gws s LYS 211 N -1.59 2.73 0.27 1.40 -0.14 -1.26 -4.07 119.74 117.08 3gws s LYS 211 Ca 0.45 -2.00 -0.31 0.00 -1.36 0.00 0.00 55.97 52.75 3gws s LYS 211 Cb -0.22 -4.02 -0.12 0.00 -1.68 0.00 0.00 37.83 31.79 3gws s LYS 211 CO 0.27 -1.22 1.62 -2.30 -0.76 0.00 0.00 175.35 172.97 3gws n PRO 212 N 4.55 2.69 -3.18 -1.68 -0.02 -1.26 -4.80 135.00 131.31 3gws n PRO 212 Ca -0.02 0.96 -0.19 0.00 -2.02 0.00 0.00 63.50 62.23 3gws n PRO 212 Cb 0.41 -2.76 0.01 0.00 -0.02 0.00 0.00 33.50 31.14 3gws n PRO 212 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3gws s GLU 213 N -0.04 2.95 0.39 -0.52 2.02 -1.26 -4.42 118.70 117.82 3gws s GLU 213 Ca 0.67 -1.04 -0.26 0.00 0.02 0.00 0.00 54.97 54.36 3gws s GLU 213 Cb -0.51 -2.75 -0.11 0.00 0.10 0.00 0.00 34.13 30.87 3gws s GLU 213 CO 0.44 -0.16 1.28 -2.30 0.02 0.00 0.00 175.26 174.54 3gws n PRO 214 N -1.82 2.01 -1.48 0.39 -0.02 -1.26 -4.97 135.00 127.86 3gws n PRO 214 Ca 0.04 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 3gws n PRO 214 Cb 0.59 -2.37 0.14 0.00 -0.02 0.00 0.00 33.50 31.83 3gws n PRO 214 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gws s THR 215 N -1.16 2.15 0.41 3.45 -4.23 -1.26 -4.81 115.64 110.19 3gws s THR 215 Ca 0.59 0.05 0.07 0.00 -1.18 0.00 0.00 61.69 61.22 3gws s THR 215 Cb -0.53 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 70.82 3gws s THR 215 CO 0.60 -0.06 2.06 0.44 -0.54 0.00 0.00 174.62 177.11 3gws h ASP 216 N -1.51 0.45 -0.42 3.99 3.32 -1.99 0.18 116.42 120.44 3gws h ASP 216 Ca -0.51 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.49 3gws h ASP 216 Cb 1.32 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3gws h ASP 216 CO 0.61 0.33 0.09 -0.08 -1.72 0.00 0.00 179.24 178.47 3gws h GLU 217 N 0.53 0.69 0.00 3.56 4.81 -2.00 -2.59 114.58 119.58 3gws h GLU 217 Ca 0.14 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 3gws h GLU 217 Cb -0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3gws h GLU 217 CO -0.03 0.71 -0.56 0.93 -0.73 0.00 0.00 179.01 179.32 3gws h GLU 218 N 0.55 0.00 -0.30 1.92 5.08 -1.69 -2.62 114.58 117.52 3gws h GLU 218 Ca 0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3gws h GLU 218 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3gws h GLU 218 CO 0.00 0.56 -0.15 -1.49 -1.00 0.00 0.00 179.01 176.93 3gws h TRP 219 N 0.00 0.58 0.07 4.33 -0.00 -0.83 0.16 115.95 120.25 3gws h TRP 219 Ca -0.01 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.89 58.78 3gws h TRP 219 Cb 1.02 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 30.03 3gws h TRP 219 CO 0.00 0.66 -0.04 0.93 -0.00 0.00 0.00 178.44 179.99 3gws h GLU 220 N 0.48 -0.10 -0.86 0.49 5.08 -1.19 -0.23 114.58 118.25 3gws h GLU 220 Ca 0.08 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3gws h GLU 220 Cb 0.55 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 3gws h GLU 220 CO 0.04 0.11 0.53 1.25 -1.00 0.00 0.00 179.01 179.93 3gws h LEU 221 N -0.29 0.81 -0.63 1.33 5.85 -1.25 -1.07 115.31 120.07 3gws h LEU 221 Ca -0.01 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3gws h LEU 221 Cb 0.25 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3gws h LEU 221 CO 0.02 0.51 0.15 0.40 -0.34 0.00 0.00 178.44 179.17 3gws h ILE 222 N 0.94 1.26 -0.38 4.05 2.04 -0.49 -1.32 117.51 123.60 3gws h ILE 222 Ca 0.39 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3gws h ILE 222 Cb 0.23 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3gws h ILE 222 CO -0.19 0.35 0.04 0.50 0.00 0.00 0.00 178.15 178.84 3gws h LYS 223 N 0.93 0.65 0.16 2.37 3.64 -0.55 -1.20 116.57 122.58 3gws h LYS 223 Ca 0.20 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gws h LYS 223 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3gws h LYS 223 CO 0.00 0.73 -0.13 1.15 -2.27 0.00 0.00 179.45 178.93 3gws h THR 224 N 0.49 0.71 -0.57 1.00 2.02 -1.00 -1.24 112.91 114.32 3gws h THR 224 Ca 0.11 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.22 3gws h THR 224 Cb 0.41 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3gws h THR 224 CO 0.01 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.56 3gws h VAL 225 N -0.31 1.26 -0.16 3.16 2.07 -1.24 -1.58 116.25 119.45 3gws h VAL 225 Ca -0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3gws h VAL 225 Cb 0.28 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3gws h VAL 225 CO -0.02 0.36 0.10 0.74 0.02 0.00 0.00 177.57 178.78 3gws h THR 226 N 0.85 1.05 -0.78 2.57 2.02 -1.11 -2.05 112.91 115.46 3gws h THR 226 Ca 0.17 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 3gws h THR 226 Cb 0.43 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3gws h THR 226 CO 0.01 0.05 0.31 -0.33 0.37 0.00 0.00 175.52 175.94 3gws h GLU 227 N 0.20 1.17 -0.92 6.66 5.08 -1.13 -0.49 114.58 125.15 3gws h GLU 227 Ca 0.06 -0.21 0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3gws h GLU 227 Cb -0.00 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 28.99 3gws h GLU 227 CO -0.01 0.95 0.59 0.00 -1.00 0.00 0.00 179.01 179.54 3gws h ALA 228 N 1.16 1.58 0.01 3.43 0.00 -1.04 -1.14 119.26 123.27 3gws h ALA 228 Ca 0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3gws h ALA 228 Cb 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gws h ALA 228 CO -0.02 0.24 -0.40 1.25 0.00 0.00 0.00 179.25 180.32 3gws h HIS 229 N 0.95 0.38 -0.90 0.00 -0.00 -0.71 -3.12 115.15 111.75 3gws h HIS 229 Ca 0.42 -0.22 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 3gws h HIS 229 Cb 0.35 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 3gws h HIS 229 CO -0.00 1.04 0.52 0.28 -0.00 0.00 0.00 177.93 179.77 3gws h VAL 230 N -0.38 1.25 0.00 5.26 2.07 -0.91 0.38 116.25 123.93 3gws h VAL 230 Ca -0.05 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3gws h VAL 230 Cb 1.16 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3gws h VAL 230 CO 0.08 0.27 -0.41 0.00 0.02 0.00 0.00 177.57 177.53 3gws h ALA 231 N 1.33 1.32 -0.35 1.67 0.00 -1.30 -3.09 119.26 118.84 3gws h ALA 231 Ca 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gws h ALA 231 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gws h ALA 231 CO -0.06 0.51 0.00 0.25 0.00 0.00 0.00 179.25 179.96 3gws n THR 232 N -4.04 1.67 -3.21 0.00 -2.24 -0.86 -4.89 114.28 100.70 3gws n THR 232 Ca -0.02 -1.40 -0.43 0.00 -2.27 0.00 0.00 64.05 59.93 3gws n THR 232 Cb 0.44 0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 3gws n THR 232 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gws s ASN 233 N -1.38 6.25 0.12 3.42 2.47 0.07 -4.82 114.94 121.06 3gws s ASN 233 Ca 0.35 -0.60 -0.35 0.00 0.42 0.00 0.00 52.86 52.67 3gws s ASN 233 Cb 0.24 -2.27 -0.16 0.00 -1.45 0.00 0.00 41.25 37.62 3gws s ASN 233 CO 0.14 -0.71 1.42 0.00 -3.72 0.00 0.00 177.10 174.23 3gws n ALA 234 N 5.94 -0.05 -1.29 1.71 0.00 -1.26 -1.72 120.51 123.83 3gws n ALA 234 Ca -0.05 0.49 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 3gws n ALA 234 Cb 0.47 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 3gws n ALA 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gws n GLN 235 N 2.81 -0.94 0.00 0.00 1.13 -1.26 -4.50 117.38 114.62 3gws n GLN 235 Ca 0.18 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 3gws n GLN 235 Cb 0.23 -4.82 0.00 0.00 0.11 0.00 0.00 30.24 25.76 3gws n GLN 235 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gws n GLY 236 N -1.28 2.56 0.45 1.08 0.00 -0.70 -2.22 105.19 105.08 3gws n GLY 236 Ca -0.10 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.28 3gws n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gws n SER 237 N 3.50 1.89 -2.02 1.61 3.41 -1.26 -4.49 113.62 116.25 3gws n SER 237 Ca 0.00 -1.44 -0.20 0.00 -0.26 0.00 0.00 58.87 56.97 3gws n SER 237 Cb 0.00 0.10 0.19 0.00 -0.26 0.00 0.00 64.21 64.24 3gws n SER 237 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gws n HIS 238 N 0.51 2.68 0.00 7.33 8.25 -0.94 -4.71 115.22 128.33 3gws n HIS 238 Ca 0.07 -1.78 -0.02 0.00 -0.26 0.00 0.00 57.72 55.73 3gws n HIS 238 Cb 0.30 -0.85 0.24 0.00 1.12 0.00 0.00 29.99 30.79 3gws n HIS 238 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 3gws h TRP 239 N 1.07 0.56 -0.50 4.41 5.08 -1.78 -3.08 115.95 121.70 3gws h TRP 239 Ca 0.55 -0.09 -0.05 0.00 1.08 0.00 0.00 58.89 60.38 3gws h TRP 239 Cb 2.63 -0.15 -0.02 0.00 -3.00 0.00 0.00 29.16 28.62 3gws h TRP 239 CO 1.48 0.63 0.12 0.87 -1.28 0.00 0.00 178.44 180.26 3gws h LYS 240 N 0.48 0.81 -0.24 0.12 1.57 -1.87 -2.34 116.57 115.09 3gws h LYS 240 Ca 0.09 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3gws h LYS 240 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3gws h LYS 240 CO 0.03 0.78 -0.30 1.96 -0.57 0.00 0.00 179.45 181.35 3gws h GLN 241 N 0.70 0.49 -0.02 3.15 7.50 -1.94 -3.19 115.11 121.81 3gws h GLN 241 Ca 0.16 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 59.10 3gws h GLN 241 Cb 0.34 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.85 3gws h GLN 241 CO 0.00 0.74 0.00 1.63 -1.50 0.00 0.00 178.83 179.71 3gws n LYS 242 N -4.09 1.56 -3.26 1.46 4.01 -1.07 -4.89 118.16 111.89 3gws n LYS 242 Ca -0.01 -0.82 -0.37 0.00 -0.51 0.00 0.00 58.31 56.60 3gws n LYS 242 Cb 0.44 -1.48 -0.06 0.00 -0.51 0.00 0.00 35.03 33.42 3gws n LYS 242 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3gws s ARG 243 N -1.99 4.17 -0.11 1.97 1.70 -0.91 -4.64 118.95 119.14 3gws s ARG 243 Ca 0.39 0.71 0.02 0.00 -0.47 0.00 0.00 55.73 56.39 3gws s ARG 243 Cb 0.21 -3.11 -0.01 0.00 -0.57 0.00 0.00 34.95 31.47 3gws s ARG 243 CO 0.34 0.56 -0.19 0.15 -1.08 0.00 0.00 175.30 175.07 3gws s LYS 244 N -1.45 3.19 -0.08 3.89 3.01 0.15 -4.93 119.74 123.51 3gws s LYS 244 Ca 0.33 -0.80 -0.30 0.00 -1.01 0.00 0.00 55.97 54.20 3gws s LYS 244 Cb -0.18 -2.44 -0.03 0.00 -1.01 0.00 0.00 37.83 34.17 3gws s LYS 244 CO 0.20 0.19 1.23 -0.06 0.51 0.00 0.00 175.35 177.42 3gws s PHE 245 N 0.34 3.06 0.17 3.18 0.40 -1.26 -1.61 117.98 122.27 3gws s PHE 245 Ca -0.16 1.12 -0.32 0.00 -0.60 0.00 0.00 56.93 56.98 3gws s PHE 245 Cb -0.17 -3.46 -0.11 0.00 0.51 0.00 0.00 43.02 39.78 3gws s PHE 245 CO 0.08 -1.51 1.78 -0.11 0.70 0.00 0.00 175.22 176.16 3gws n LEU 246 N 5.64 4.05 -4.58 -0.37 7.94 -0.50 -4.86 117.00 124.32 3gws n LEU 246 Ca 0.12 1.03 -0.54 0.00 -1.11 0.00 0.00 56.01 55.51 3gws n LEU 246 Cb 0.46 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.77 3gws n LEU 246 CO 0.56 0.20 0.88 -2.65 -1.11 0.00 0.00 177.39 175.26 3gws n PRO 247 N 4.70 0.95 -0.01 1.96 -0.02 -1.26 -4.79 135.00 136.52 3gws n PRO 247 Ca 0.17 0.34 0.23 0.00 -2.02 0.00 0.00 63.50 62.23 3gws n PRO 247 Cb 0.36 -1.96 0.69 0.00 -0.02 0.00 0.00 33.50 32.56 3gws n PRO 247 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3gws h GLU 248 N 4.46 0.00 0.01 -0.52 9.09 -2.00 -0.06 114.58 125.56 3gws h GLU 248 Ca -0.48 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 58.74 3gws h GLU 248 Cb 1.35 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.43 3gws h GLU 248 CO 0.77 0.00 -0.88 0.38 0.05 0.00 0.00 179.01 179.33 3gws h ASP 249 N 0.00 0.12 -2.79 3.06 2.03 -2.02 -3.44 116.42 113.39 3gws h ASP 249 Ca 0.29 -0.10 -0.56 0.00 -0.73 0.00 0.00 57.03 55.93 3gws h ASP 249 Cb 1.57 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 40.00 3gws h ASP 249 CO -0.00 0.94 1.05 -0.63 -1.03 0.00 0.00 179.24 179.56 3gws s ILE 250 N -3.10 3.84 0.26 4.15 1.01 -0.04 -5.10 121.20 122.22 3gws s ILE 250 Ca -0.01 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.62 3gws s ILE 250 Cb 0.10 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3gws s ILE 250 CO 0.81 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 176.16 3gws n GLY 251 N 4.24 -3.59 3.64 6.18 0.00 -1.26 -4.84 105.19 109.55 3gws n GLY 251 Ca 0.17 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3gws n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gws s VAL 264 N -3.66 3.02 -0.13 1.61 1.01 -1.26 -4.17 120.40 116.82 3gws s VAL 264 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3gws s VAL 264 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3gws s VAL 264 CO 0.00 -0.01 1.76 -0.62 0.00 0.00 0.00 175.10 176.23 3gws s ASP 265 N 5.93 6.36 0.12 3.32 3.68 -0.27 -4.92 116.67 130.89 3gws s ASP 265 Ca 0.93 2.01 -0.32 0.00 2.13 0.00 0.00 52.55 57.30 3gws s ASP 265 Cb -0.39 -2.53 -0.10 0.00 -1.45 0.00 0.00 42.92 38.45 3gws s ASP 265 CO 0.39 -1.21 1.57 0.17 0.13 0.00 0.00 175.17 176.22 3gws h LEU 266 N 11.49 -1.41 -0.40 -1.34 -0.00 -1.96 -1.83 115.31 119.86 3gws h LEU 266 Ca -0.39 0.16 -0.16 0.00 -0.00 0.00 0.00 57.88 57.50 3gws h LEU 266 Cb 1.18 0.54 -0.01 0.00 -0.00 0.00 0.00 40.66 42.38 3gws h LEU 266 CO 0.97 -0.49 -0.41 1.05 -0.00 0.00 0.00 178.44 179.56 3gws h GLU 267 N -0.63 0.90 -0.23 0.17 4.11 -1.98 -1.60 114.58 115.32 3gws h GLU 267 Ca 0.03 -0.49 0.04 0.00 0.07 0.00 0.00 59.36 59.01 3gws h GLU 267 Cb 0.69 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3gws h GLU 267 CO -0.33 1.14 0.02 0.00 0.07 0.00 0.00 179.01 179.91 3gws h ALA 268 N 0.79 0.21 -0.83 1.06 0.00 -1.89 -0.62 119.26 117.99 3gws h ALA 268 Ca 0.05 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3gws h ALA 268 Cb 1.00 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3gws h ALA 268 CO 0.10 -0.41 0.54 0.35 0.00 0.00 0.00 179.25 179.83 3gws h PHE 269 N 0.09 0.91 -0.28 0.00 3.57 -1.19 -2.07 116.94 117.97 3gws h PHE 269 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3gws h PHE 269 Cb 0.12 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3gws h PHE 269 CO -0.17 0.46 0.08 1.03 -2.23 0.00 0.00 178.31 177.49 3gws h SER 270 N 0.88 0.41 -0.30 0.41 0.87 -0.26 -1.40 113.55 114.15 3gws h SER 270 Ca 0.36 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3gws h SER 270 Cb 0.27 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3gws h SER 270 CO -0.13 0.51 0.19 0.45 -0.53 0.00 0.00 176.83 177.31 3gws h HIS 271 N 0.29 0.39 -0.27 2.24 3.86 -0.68 -2.06 115.15 118.90 3gws h HIS 271 Ca 0.09 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3gws h HIS 271 Cb 0.25 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3gws h HIS 271 CO 0.01 0.27 0.12 0.74 0.86 0.00 0.00 177.93 179.92 3gws h PHE 272 N 0.39 0.40 0.00 2.45 0.05 -1.31 -3.04 116.94 115.89 3gws h PHE 272 Ca 0.11 -0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.87 3gws h PHE 272 Cb -0.02 -0.12 -0.00 0.00 2.00 0.00 0.00 35.95 37.81 3gws h PHE 272 CO -0.05 0.39 -0.00 1.79 -0.18 0.00 0.00 178.31 180.26 3gws h THR 273 N 0.30 0.00 0.00 -1.55 1.35 -1.18 -2.55 112.91 109.28 3gws h THR 273 Ca 0.09 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3gws h THR 273 Cb 0.15 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3gws h THR 273 CO -0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.37 3gws h LYS 274 N 0.00 0.00 -0.01 4.72 6.56 -1.25 -3.25 116.57 123.35 3gws h LYS 274 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3gws h LYS 274 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 3gws h LYS 274 CO 0.00 0.00 0.00 0.44 -2.06 0.00 0.00 179.45 177.83 3gws n ILE 275 N -2.38 0.71 0.13 1.86 -5.35 -0.99 -4.69 119.36 108.64 3gws n ILE 275 Ca 0.04 -0.85 0.01 0.00 -0.27 0.00 0.00 62.75 61.67 3gws n ILE 275 Cb 0.36 0.65 0.02 0.00 -1.74 0.00 0.00 39.64 38.93 3gws n ILE 275 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 3gws h ILE 276 N 0.06 1.07 0.07 7.28 2.10 -1.52 -3.24 117.51 123.34 3gws h ILE 276 Ca 0.00 -2.43 0.00 0.00 1.08 0.00 0.00 64.86 63.52 3gws h ILE 276 Cb 0.36 2.47 -0.01 0.00 -1.09 0.00 0.00 36.82 38.56 3gws h ILE 276 CO 0.00 0.59 -0.07 0.74 -1.08 0.00 0.00 178.15 178.33 3gws h THR 277 N 0.00 0.83 -0.42 2.19 2.02 -1.84 -0.30 112.91 115.39 3gws h THR 277 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3gws h THR 277 Cb 1.42 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 3gws h THR 277 CO 0.08 0.00 0.24 -0.65 0.37 0.00 0.00 175.52 175.56 3gws h PRO 278 N -0.16 0.47 -0.67 6.66 0.11 -1.91 -1.77 132.00 134.72 3gws h PRO 278 Ca 0.01 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.18 3gws h PRO 278 Cb 0.16 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.10 3gws h PRO 278 CO -0.03 0.31 0.31 0.00 -0.21 0.00 0.00 178.00 178.39 3gws h ALA 279 N 1.19 0.91 -0.08 -0.75 0.00 -1.52 -1.61 119.26 117.41 3gws h ALA 279 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gws h ALA 279 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gws h ALA 279 CO -0.09 -0.10 0.02 0.82 0.00 0.00 0.00 179.25 179.91 3gws h ILE 280 N 0.54 1.19 0.00 0.00 2.04 -0.68 -2.98 117.51 117.61 3gws h ILE 280 Ca 0.34 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3gws h ILE 280 Cb 0.37 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3gws h ILE 280 CO -0.28 0.16 -0.16 0.71 0.00 0.00 0.00 178.15 178.58 3gws h THR 281 N -0.08 0.83 0.00 -0.27 1.35 -0.94 -0.91 112.91 112.89 3gws h THR 281 Ca 0.02 -0.62 -0.09 0.00 -0.55 0.00 0.00 66.41 65.17 3gws h THR 281 Cb 0.24 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3gws h THR 281 CO -0.00 0.16 -0.44 0.03 -0.25 0.00 0.00 175.52 175.02 3gws h ARG 282 N 0.00 0.00 -0.36 4.72 3.08 -1.18 0.21 114.38 120.85 3gws h ARG 282 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3gws h ARG 282 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3gws h ARG 282 CO 0.02 0.44 -0.21 0.28 -1.07 0.00 0.00 179.97 179.42 3gws h VAL 283 N 0.00 1.29 -0.67 2.04 2.07 -1.04 -0.93 116.25 119.01 3gws h VAL 283 Ca -0.00 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 3gws h VAL 283 Cb 0.78 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3gws h VAL 283 CO 0.06 0.45 0.34 0.58 0.02 0.00 0.00 177.57 179.02 3gws h VAL 284 N 0.57 1.22 -0.79 2.57 2.07 -1.00 -2.13 116.25 118.75 3gws h VAL 284 Ca 0.07 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3gws h VAL 284 Cb 0.77 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3gws h VAL 284 CO 0.06 0.25 0.52 0.44 0.02 0.00 0.00 177.57 178.86 3gws h ASP 285 N 0.92 0.90 -0.24 0.57 3.32 -0.45 -0.64 116.42 120.80 3gws h ASP 285 Ca 0.23 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3gws h ASP 285 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3gws h ASP 285 CO -0.03 0.65 0.11 0.15 -1.72 0.00 0.00 179.24 178.40 3gws h PHE 286 N 1.07 0.36 -0.68 4.55 3.57 -0.71 -3.05 116.94 122.04 3gws h PHE 286 Ca 0.29 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3gws h PHE 286 Cb -0.12 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3gws h PHE 286 CO -0.00 0.37 0.24 0.00 -2.23 0.00 0.00 178.31 176.69 3gws h ALA 287 N 0.96 0.89 -0.12 2.41 0.00 -0.88 -2.64 119.26 119.88 3gws h ALA 287 Ca 0.08 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gws h ALA 287 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gws h ALA 287 CO -0.01 0.54 0.14 0.87 0.00 0.00 0.00 179.25 180.79 3gws h LYS 288 N 0.99 0.00 -0.37 0.00 1.57 -1.03 -0.97 116.57 116.76 3gws h LYS 288 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3gws h LYS 288 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3gws h LYS 288 CO -0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.50 3gws n LYS 289 N -3.81 1.86 -3.74 3.15 5.02 -0.99 -4.69 118.16 114.96 3gws n LYS 289 Ca 0.00 -1.33 -0.37 0.00 -2.02 0.00 0.00 58.31 54.58 3gws n LYS 289 Cb 0.25 -1.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 3gws n LYS 289 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gws s LEU 290 N -1.01 4.86 0.42 -0.35 1.43 -0.37 -4.85 118.68 118.81 3gws s LEU 290 Ca 0.25 -1.62 0.23 0.00 -1.03 0.00 0.00 54.13 51.95 3gws s LEU 290 Cb 0.13 -1.86 1.21 0.00 0.03 0.00 0.00 46.19 45.70 3gws s LEU 290 CO 0.17 -0.46 1.75 -0.65 0.23 0.00 0.00 176.35 177.38 3gws h PRO 291 N 8.17 0.28 -0.62 1.29 0.11 -1.85 0.41 132.00 139.80 3gws h PRO 291 Ca -0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 3gws h PRO 291 Cb 1.07 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3gws h PRO 291 CO 0.68 0.19 0.35 0.52 -0.21 0.00 0.00 178.00 179.52 3gws h MET 292 N 0.29 0.86 -1.97 1.05 2.86 -1.93 -2.57 114.93 113.51 3gws h MET 292 Ca 0.63 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 3gws h MET 292 Cb 1.79 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.28 3gws h MET 292 CO -0.29 0.64 0.00 0.34 1.06 0.00 0.00 176.91 178.66 3gws n PHE 293 N -4.57 0.00 0.00 -0.22 7.35 0.14 -3.64 117.46 116.52 3gws n PHE 293 Ca 0.04 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 3gws n PHE 293 Cb 0.08 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 39.76 3gws n PHE 293 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3gws n GLU 295 N 1.26 0.00 -2.86 -4.13 1.02 -0.97 -4.84 120.64 110.13 3gws n GLU 295 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3gws n GLU 295 Cb 0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.39 3gws n GLU 295 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gws s LEU 296 N 0.00 3.91 0.73 -4.62 1.43 -1.24 -5.05 118.68 113.83 3gws s LEU 296 Ca 0.00 1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 54.43 3gws s LEU 296 Cb 0.00 -4.31 0.04 0.00 0.03 0.00 0.00 46.19 41.95 3gws s LEU 296 CO 0.00 -0.35 1.12 -2.16 0.23 0.00 0.00 176.35 175.18 3gws s PRO 297 N -3.36 2.40 0.20 1.29 0.04 -1.26 -4.78 135.00 129.54 3gws s PRO 297 Ca 0.57 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 3gws s PRO 297 Cb -0.10 -1.90 0.27 0.00 0.04 0.00 0.00 34.50 32.81 3gws s PRO 297 CO 0.20 -1.56 1.71 0.00 0.04 0.00 0.00 177.00 177.39 3gws h GLU 299 N 0.25 0.97 -0.42 0.00 3.07 -2.00 -1.58 114.58 114.87 3gws h GLU 299 Ca 0.30 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.95 3gws h GLU 299 Cb 0.44 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3gws h GLU 299 CO -0.39 0.64 -0.33 -0.44 -1.40 0.00 0.00 179.01 177.10 3gws h ASP 300 N 1.00 1.02 -0.46 1.42 5.19 -1.78 -2.21 116.42 120.59 3gws h ASP 300 Ca 0.27 -0.44 0.05 0.00 -0.62 0.00 0.00 57.03 56.29 3gws h ASP 300 Cb -0.11 -0.29 -0.05 0.00 0.18 0.00 0.00 39.33 39.06 3gws h ASP 300 CO -0.06 1.25 0.18 1.56 -3.12 0.00 0.00 179.24 179.04 3gws h GLN 301 N 0.81 0.35 -0.49 3.56 4.20 -0.78 0.74 115.11 123.49 3gws h GLN 301 Ca 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3gws h GLN 301 Cb 0.92 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3gws h GLN 301 CO 0.09 0.23 0.27 0.82 -0.67 0.00 0.00 178.83 179.57 3gws h ILE 302 N 0.36 1.17 -0.55 2.54 1.08 -1.22 -1.78 117.51 119.11 3gws h ILE 302 Ca 0.21 -0.44 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 3gws h ILE 302 Cb 0.19 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3gws h ILE 302 CO -0.20 0.18 0.06 0.40 -0.69 0.00 0.00 178.15 177.90 3gws h ILE 303 N 0.66 1.26 -0.55 -0.67 2.04 -0.84 -1.03 117.51 118.37 3gws h ILE 303 Ca 0.17 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 3gws h ILE 303 Cb 0.05 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3gws h ILE 303 CO -0.03 0.37 0.10 -0.07 0.00 0.00 0.00 178.15 178.52 3gws h LEU 304 N 0.83 0.86 -0.24 1.44 3.38 -0.77 -1.85 115.31 118.95 3gws h LEU 304 Ca 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3gws h LEU 304 Cb 0.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3gws h LEU 304 CO 0.02 0.89 0.08 -0.07 0.09 0.00 0.00 178.44 179.45 3gws h LEU 305 N 0.79 0.34 -1.36 1.67 3.38 -1.10 -1.72 115.31 117.31 3gws h LEU 305 Ca 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gws h LEU 305 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gws h LEU 305 CO 0.01 0.44 0.11 0.11 0.09 0.00 0.00 178.44 179.20 3gws h LYS 306 N 0.22 0.55 -0.26 1.13 1.57 -1.16 -1.57 116.57 117.04 3gws h LYS 306 Ca 0.08 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3gws h LYS 306 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3gws h LYS 306 CO -0.00 0.49 -0.48 0.78 -0.57 0.00 0.00 179.45 179.67 3gws h GLY 307 N 0.74 0.85 -0.11 3.86 0.00 -1.02 -3.33 103.07 104.06 3gws h GLY 307 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.47 3gws h GLY 307 CO -0.01 0.89 -0.77 0.00 0.00 0.00 0.00 176.54 176.65 3gws h MET 310 N -0.50 0.77 -0.54 0.00 -1.53 -1.83 -1.59 114.93 109.71 3gws h MET 310 Ca 0.07 -0.26 0.04 0.00 -3.44 0.00 0.00 59.70 56.10 3gws h MET 310 Cb 0.60 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.55 3gws h MET 310 CO -0.32 0.86 0.30 0.93 0.14 0.00 0.00 176.91 178.81 3gws h GLU 311 N 0.69 0.56 -0.04 0.39 5.08 -1.58 0.51 114.58 120.20 3gws h GLU 311 Ca 0.11 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 3gws h GLU 311 Cb 0.60 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.74 3gws h GLU 311 CO 0.04 0.37 -0.89 0.82 -1.00 0.00 0.00 179.01 178.35 3gws h ILE 312 N 0.58 1.30 -0.80 3.13 2.04 -0.72 -2.12 117.51 120.93 3gws h ILE 312 Ca 0.23 -2.14 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 3gws h ILE 312 Cb 0.10 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 3gws h ILE 312 CO -0.14 0.66 0.45 0.24 0.00 0.00 0.00 178.15 179.36 3gws h MET 313 N 0.34 1.11 -0.38 2.37 2.86 -1.15 -0.91 114.93 119.17 3gws h MET 313 Ca -0.10 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 3gws h MET 313 Cb 1.55 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3gws h MET 313 CO 0.18 0.81 0.03 0.77 1.06 0.00 0.00 176.91 179.76 3gws h SER 314 N 1.12 0.63 -0.12 1.22 0.02 -0.86 -1.57 113.55 113.98 3gws h SER 314 Ca 0.28 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3gws h SER 314 Cb 0.02 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 3gws h SER 314 CO -0.05 0.76 -0.13 0.25 -1.14 0.00 0.00 176.83 176.52 3gws h LEU 315 N 0.48 -0.40 -1.69 5.07 5.85 -0.95 0.20 115.31 123.88 3gws h LEU 315 Ca 0.11 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3gws h LEU 315 Cb 0.41 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3gws h LEU 315 CO 0.01 -0.17 0.14 0.03 -0.34 0.00 0.00 178.44 178.12 3gws h ARG 316 N -0.16 0.35 -0.05 1.25 3.08 -1.00 0.35 114.38 118.20 3gws h ARG 316 Ca 0.09 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 3gws h ARG 316 Cb 0.28 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3gws h ARG 316 CO -0.21 0.26 -0.63 0.00 -1.07 0.00 0.00 179.97 178.31 3gws h ALA 317 N 1.80 0.14 -0.50 0.04 0.00 -0.87 -3.32 119.26 116.55 3gws h ALA 317 Ca 0.09 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gws h ALA 317 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gws h ALA 317 CO -0.02 0.42 0.30 0.00 0.00 0.00 0.00 179.25 179.96 3gws h ALA 318 N 0.40 0.64 0.00 0.00 0.00 0.49 -2.30 119.26 118.49 3gws h ALA 318 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gws h ALA 318 Cb 1.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3gws h ALA 318 CO 0.13 0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.84 3gws n VAL 319 N -4.69 1.21 -1.24 0.00 0.24 0.01 -1.85 118.33 112.01 3gws n VAL 319 Ca 0.02 0.31 -0.05 0.00 -2.04 0.00 0.00 64.34 62.59 3gws n VAL 319 Cb 0.05 -1.13 0.23 0.00 -1.47 0.00 0.00 33.84 31.52 3gws n VAL 319 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3gws n ARG 320 N -1.56 2.50 -2.28 7.34 1.74 -0.87 -4.98 116.66 118.55 3gws n ARG 320 Ca 0.03 -3.06 -0.41 0.00 -0.77 0.00 0.00 57.85 53.63 3gws n ARG 320 Cb 0.13 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 3gws n ARG 320 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3gws s TYR 321 N -3.12 3.30 -0.24 -1.55 5.04 -0.77 -3.37 117.35 116.64 3gws s TYR 321 Ca 0.48 1.44 0.02 0.00 -2.44 0.00 0.00 57.07 56.57 3gws s TYR 321 Cb 0.41 -3.52 0.05 0.00 0.35 0.00 0.00 41.96 39.26 3gws s TYR 321 CO 0.06 -1.42 -0.09 0.34 -1.34 0.00 0.00 175.55 173.10 3gws s ASP 322 N -0.29 3.99 0.38 4.32 2.15 -0.05 -4.99 116.67 122.18 3gws s ASP 322 Ca 0.50 -1.19 0.05 0.00 0.43 0.00 0.00 52.55 52.34 3gws s ASP 322 Cb -0.36 -1.36 0.76 0.00 -0.30 0.00 0.00 42.92 41.65 3gws s ASP 322 CO 0.44 -0.19 2.02 -0.65 -0.17 0.00 0.00 175.17 176.62 3gws h PRO 323 N 7.88 0.69 0.21 4.34 0.11 -1.95 0.87 132.00 144.14 3gws h PRO 323 Ca -0.22 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.86 3gws h PRO 323 Cb 1.07 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 3gws h PRO 323 CO 0.46 0.45 -0.48 0.93 -0.21 0.00 0.00 178.00 179.15 3gws h GLU 324 N 0.71 -0.75 -0.00 1.05 5.08 -1.97 -2.92 114.58 115.77 3gws h GLU 324 Ca 0.22 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3gws h GLU 324 Cb 0.01 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gws h GLU 324 CO -0.05 -0.50 -0.55 -1.13 -1.00 0.00 0.00 179.01 175.77 3gws n SER 325 N -5.50 0.75 -3.79 1.42 3.41 -1.12 -4.96 113.62 103.84 3gws n SER 325 Ca -0.09 -0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 57.71 3gws n SER 325 Cb 0.41 0.38 0.04 0.00 -0.26 0.00 0.00 64.21 64.78 3gws n SER 325 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gws n GLU 326 N -1.29 -5.57 -4.40 4.33 1.02 0.30 -4.98 120.64 110.05 3gws n GLU 326 Ca 0.07 0.64 -0.21 0.00 -0.02 0.00 0.00 57.16 57.63 3gws n GLU 326 Cb 0.34 -5.42 -0.10 0.00 -0.02 0.00 0.00 31.44 26.24 3gws n GLU 326 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gws s THR 327 N -3.45 2.01 0.15 2.62 -4.23 -1.07 -4.43 115.64 107.25 3gws s THR 327 Ca 0.39 -2.28 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 3gws s THR 327 Cb -0.19 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 3gws s THR 327 CO 0.81 -0.50 0.09 -0.76 -0.54 0.00 0.00 174.62 173.73 3gws s LEU 328 N -3.40 3.68 -0.23 4.79 1.43 -0.46 -0.87 118.68 123.61 3gws s LEU 328 Ca 0.26 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3gws s LEU 328 Cb -0.02 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3gws s LEU 328 CO 0.10 0.09 -0.04 -0.89 0.23 0.00 0.00 176.35 175.84 3gws s THR 329 N -1.69 3.29 -0.11 5.49 2.01 -1.22 -1.05 115.64 122.37 3gws s THR 329 Ca 0.30 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 3gws s THR 329 Cb -0.10 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3gws s THR 329 CO 0.22 0.34 0.45 -0.76 -0.69 0.00 0.00 174.62 174.18 3gws s LEU 330 N 1.44 4.30 -1.55 4.42 1.43 0.73 -4.00 118.68 125.45 3gws s LEU 330 Ca 0.04 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 3gws s LEU 330 Cb -0.15 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3gws s LEU 330 CO -0.03 0.05 0.00 0.59 0.23 0.00 0.00 176.35 177.19 3gws n ASN 331 N 3.42 -4.12 0.00 2.29 4.13 -1.26 -1.77 115.26 117.96 3gws n ASN 331 Ca -0.08 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.50 3gws n ASN 331 Cb 0.52 -3.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.05 3gws n ASN 331 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gws n GLY 332 N -0.40 0.28 0.00 7.41 0.00 -1.26 -4.64 105.19 106.59 3gws n GLY 332 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3gws n GLY 332 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gws n GLU 333 N -1.21 2.66 -3.78 1.61 0.28 -0.82 -4.08 120.64 115.29 3gws n GLU 333 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 3gws n GLU 333 Cb 0.17 -0.85 -0.13 0.00 1.43 0.00 0.00 31.44 32.06 3gws n GLU 333 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3gws s MET 334 N -1.65 2.97 -0.25 3.44 0.00 -0.73 0.32 119.30 123.39 3gws s MET 334 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 55.69 54.61 3gws s MET 334 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 34.83 31.44 3gws s MET 334 CO 0.00 -0.48 0.36 0.00 0.00 0.00 0.00 175.02 174.90 3gws s ALA 335 N 1.46 3.57 0.10 4.11 0.00 -0.63 -0.19 121.76 130.17 3gws s ALA 335 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.29 3gws s ALA 335 Cb -0.18 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3gws s ALA 335 CO 0.02 -0.54 -0.18 0.14 0.00 0.00 0.00 175.76 175.20 3gws s VAL 336 N 1.81 1.49 0.63 0.00 -7.23 -0.22 -1.41 120.40 115.48 3gws s VAL 336 Ca 0.15 -1.53 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3gws s VAL 336 Cb -0.15 -1.44 0.05 0.00 0.56 0.00 0.00 36.38 35.40 3gws s VAL 336 CO 0.09 -0.18 0.90 0.42 -0.31 0.00 0.00 175.10 176.02 3gws s THR 337 N -1.41 2.45 0.16 5.32 -4.23 -1.26 -1.36 115.64 115.32 3gws s THR 337 Ca 0.05 -0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 59.95 3gws s THR 337 Cb -0.09 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.80 3gws s THR 337 CO 0.04 0.00 1.71 -0.09 -0.54 0.00 0.00 174.62 175.74 3gws h ARG 338 N -0.29 0.14 -0.85 3.99 2.43 -1.95 -2.19 114.38 115.66 3gws h ARG 338 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3gws h ARG 338 Cb 1.31 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 3gws h ARG 338 CO 0.56 0.09 0.53 0.78 -1.51 0.00 0.00 179.97 180.43 3gws h GLY 339 N 0.14 1.21 0.75 2.80 0.00 -1.94 -1.13 103.07 104.90 3gws h GLY 339 Ca 0.18 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3gws h GLY 339 CO -0.28 0.47 -0.04 1.46 0.00 0.00 0.00 176.54 178.16 3gws h GLN 340 N 1.16 -0.10 -0.94 4.80 4.20 -1.64 -1.47 115.11 121.12 3gws h GLN 340 Ca 0.31 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3gws h GLN 340 Cb -0.08 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 3gws h GLN 340 CO -0.06 0.16 0.60 1.25 -0.67 0.00 0.00 178.83 180.11 3gws h LEU 341 N -0.35 1.09 -0.43 1.46 5.85 -1.32 -1.93 115.31 119.68 3gws h LEU 341 Ca -0.01 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3gws h LEU 341 Cb 0.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3gws h LEU 341 CO 0.02 0.81 0.15 0.50 -0.34 0.00 0.00 178.44 179.57 3gws h LYS 342 N 1.28 0.65 0.00 1.25 3.64 -1.11 -3.07 116.57 119.22 3gws h LYS 342 Ca 0.34 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3gws h LYS 342 Cb -0.12 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3gws h LYS 342 CO -0.07 0.63 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.69 3gws h ASN 343 N 0.55 0.00 -0.02 4.20 2.35 -1.06 -1.16 115.58 120.44 3gws h ASN 343 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3gws h ASN 343 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3gws h ASN 343 CO -0.01 0.14 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 3gws n GLY 344 N 0.70 -0.89 0.00 2.83 0.00 -0.75 -1.12 105.19 105.97 3gws n GLY 344 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3gws n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gws n GLY 345 N 0.76 1.30 0.18 -0.02 0.00 -1.20 -3.78 105.19 102.44 3gws n GLY 345 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 3gws n GLY 345 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gws h LEU 346 N 0.00 0.00 0.00 0.99 3.38 -1.54 -3.47 115.31 114.67 3gws h LEU 346 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gws h LEU 346 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gws h LEU 346 CO 0.00 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.47 3gws n GLY 347 N 0.72 2.60 0.17 0.83 0.00 -0.45 -1.58 105.19 107.49 3gws n GLY 347 Ca 0.01 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3gws n GLY 347 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gws h VAL 348 N 0.00 0.00 0.00 1.61 3.04 -1.93 -0.29 116.25 118.68 3gws h VAL 348 Ca 0.00 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.59 3gws h VAL 348 Cb 0.00 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 29.93 3gws h VAL 348 CO 0.00 0.00 -0.18 0.58 -1.01 0.00 0.00 177.57 176.96 3gws h VAL 349 N 0.00 1.10 -0.41 1.51 2.07 -1.69 -1.22 116.25 117.62 3gws h VAL 349 Ca 0.00 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3gws h VAL 349 Cb 0.09 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3gws h VAL 349 CO 0.00 0.17 0.15 -1.28 0.02 0.00 0.00 177.57 176.63 3gws h SER 350 N 0.00 0.58 -0.72 0.57 0.87 -1.17 -1.67 113.55 112.01 3gws h SER 350 Ca -0.00 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3gws h SER 350 Cb 0.32 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 3gws h SER 350 CO 0.02 0.61 0.45 0.44 -0.53 0.00 0.00 176.83 177.83 3gws h ASP 351 N 0.51 0.74 -0.51 6.23 5.19 -1.38 -0.71 116.42 126.49 3gws h ASP 351 Ca 0.13 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 3gws h ASP 351 Cb 0.23 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 3gws h ASP 351 CO -0.01 0.51 0.22 0.00 -3.12 0.00 0.00 179.24 176.85 3gws h ALA 352 N 1.31 0.66 -0.39 3.45 0.00 -1.08 0.19 119.26 123.39 3gws h ALA 352 Ca 0.29 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3gws h ALA 352 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gws h ALA 352 CO -0.11 0.25 -0.27 0.82 0.00 0.00 0.00 179.25 179.94 3gws h ILE 353 N 0.68 1.28 -0.27 0.00 2.04 -0.99 -1.80 117.51 118.44 3gws h ILE 353 Ca 0.17 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3gws h ILE 353 Cb 0.16 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3gws h ILE 353 CO -0.02 0.48 0.06 -0.26 0.00 0.00 0.00 178.15 178.41 3gws h PHE 354 N 0.68 0.47 -0.95 1.37 -1.00 -1.00 -0.57 116.94 115.92 3gws h PHE 354 Ca 0.08 -0.06 0.03 0.00 2.81 0.00 0.00 57.97 60.83 3gws h PHE 354 Cb 0.85 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 40.22 3gws h PHE 354 CO 0.06 0.53 0.63 -0.44 -1.61 0.00 0.00 178.31 177.47 3gws h ASP 355 N 0.27 1.05 -0.27 2.17 5.19 -0.93 -0.59 116.42 123.30 3gws h ASP 355 Ca 0.09 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3gws h ASP 355 Cb 0.30 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3gws h ASP 355 CO 0.00 0.72 0.12 0.25 -3.12 0.00 0.00 179.24 177.22 3gws h LEU 356 N 1.22 0.37 -0.06 1.55 5.85 -1.06 -1.62 115.31 121.55 3gws h LEU 356 Ca 0.38 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3gws h LEU 356 Cb -0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3gws h LEU 356 CO -0.11 0.40 -0.00 1.23 -0.34 0.00 0.00 178.44 179.62 3gws h GLY 357 N 0.30 0.05 0.67 3.75 0.00 -0.33 0.18 103.07 107.70 3gws h GLY 357 Ca 0.09 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.51 3gws h GLY 357 CO -0.01 -0.01 0.59 -0.33 0.00 0.00 0.00 176.54 176.78 3gws h MET 358 N 0.02 1.01 -0.31 4.80 2.86 -1.14 -2.32 114.93 119.86 3gws h MET 358 Ca 0.03 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3gws h MET 358 Cb 0.03 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3gws h MET 358 CO -0.05 0.67 -0.21 1.03 1.06 0.00 0.00 176.91 179.41 3gws h SER 359 N 1.04 0.59 1.80 1.22 0.87 -0.32 -3.14 113.55 115.60 3gws h SER 359 Ca 0.42 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3gws h SER 359 Cb 0.24 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3gws h SER 359 CO -0.20 0.80 0.00 -0.07 -0.53 0.00 0.00 176.83 176.83 3gws h LEU 360 N 0.52 0.00 -1.55 2.23 3.38 -0.13 -3.30 115.31 116.47 3gws h LEU 360 Ca 0.08 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3gws h LEU 360 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3gws h LEU 360 CO 0.05 0.00 0.41 0.77 0.09 0.00 0.00 178.44 179.76 3gws h SER 361 N 0.00 0.47 0.77 -0.43 4.64 -1.44 0.12 113.55 117.69 3gws h SER 361 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gws h SER 361 Cb 0.90 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3gws h SER 361 CO 0.00 0.30 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.61 3gws n SER 362 N -4.48 0.15 0.21 4.97 3.41 -1.24 -3.01 113.62 113.63 3gws n SER 362 Ca 0.09 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 3gws n SER 362 Cb 0.30 -0.28 0.21 0.00 -0.26 0.00 0.00 64.21 64.17 3gws n SER 362 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3gws h PHE 363 N 0.07 0.00 -6.62 7.33 0.04 -0.93 -3.48 116.94 113.34 3gws h PHE 363 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 3gws h PHE 363 Cb 0.45 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.50 3gws h PHE 363 CO 0.00 0.00 -0.89 0.09 -0.60 0.00 0.00 178.31 176.91 3gws n ASN 364 N -3.00 -0.65 -4.77 2.17 3.02 -1.16 -4.89 115.26 105.98 3gws n ASN 364 Ca 0.04 -1.05 -0.40 0.00 -0.03 0.00 0.00 54.58 53.14 3gws n ASN 364 Cb 0.51 -2.80 -0.01 0.00 -0.61 0.00 0.00 39.78 36.87 3gws n ASN 364 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gws s LEU 365 N -7.08 4.34 0.48 3.41 1.43 -1.26 -5.05 118.68 114.95 3gws s LEU 365 Ca 0.13 2.69 0.09 0.00 -1.03 0.00 0.00 54.13 56.01 3gws s LEU 365 Cb -0.07 -3.75 0.04 0.00 0.03 0.00 0.00 46.19 42.43 3gws s LEU 365 CO 0.91 -0.67 0.64 1.51 0.23 0.00 0.00 176.35 178.97 3gws s ASP 366 N -0.57 5.39 0.37 2.29 1.47 -1.26 -4.92 116.67 119.45 3gws s ASP 366 Ca 0.52 -0.62 0.12 0.00 1.18 0.00 0.00 52.55 53.76 3gws s ASP 366 Cb -0.39 -0.27 0.92 0.00 -0.34 0.00 0.00 42.92 42.84 3gws s ASP 366 CO 0.52 -0.98 1.85 0.44 0.68 0.00 0.00 175.17 177.67 3gws h ASP 367 N 0.49 0.57 -0.32 2.11 3.32 -1.99 -0.87 116.42 119.73 3gws h ASP 367 Ca -0.36 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 3gws h ASP 367 Cb 1.28 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3gws h ASP 367 CO 0.44 0.25 -0.06 0.74 -1.72 0.00 0.00 179.24 178.90 3gws h THR 368 N 0.58 1.27 -0.42 0.35 2.02 -1.94 0.43 112.91 115.20 3gws h THR 368 Ca 0.48 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 3gws h THR 368 Cb 0.95 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3gws h THR 368 CO -0.22 0.35 0.09 -0.33 0.37 0.00 0.00 175.52 175.78 3gws h GLU 369 N 0.39 0.68 -0.36 6.66 5.08 -1.62 -0.41 114.58 125.01 3gws h GLU 369 Ca 0.08 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3gws h GLU 369 Cb 0.54 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3gws h GLU 369 CO 0.03 0.70 0.23 0.28 -1.00 0.00 0.00 179.01 179.25 3gws h VAL 370 N 0.55 1.07 -0.52 3.13 2.07 -1.15 -1.62 116.25 119.78 3gws h VAL 370 Ca 0.13 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3gws h VAL 370 Cb 0.34 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3gws h VAL 370 CO 0.00 0.08 0.24 0.00 0.02 0.00 0.00 177.57 177.92 3gws h ALA 371 N 1.14 0.66 -0.54 1.67 0.00 -0.62 -1.50 119.26 120.07 3gws h ALA 371 Ca 0.14 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3gws h ALA 371 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gws h ALA 371 CO -0.04 -0.13 -0.07 -0.07 0.00 0.00 0.00 179.25 178.94 3gws h LEU 372 N 0.46 0.97 -0.44 0.00 3.38 -0.84 -0.91 115.31 117.92 3gws h LEU 372 Ca 0.24 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3gws h LEU 372 Cb 0.19 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3gws h LEU 372 CO -0.19 1.06 0.11 -0.07 0.09 0.00 0.00 178.44 179.44 3gws h LEU 373 N 0.88 0.05 -0.36 1.67 3.38 -0.91 -0.32 115.31 119.71 3gws h LEU 373 Ca 0.15 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3gws h LEU 373 Cb 0.61 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3gws h LEU 373 CO 0.04 0.06 0.22 1.56 0.09 0.00 0.00 178.44 180.41 3gws h GLN 374 N 0.25 0.44 -0.68 1.13 4.20 -0.71 -0.64 115.11 119.09 3gws h GLN 374 Ca 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 3gws h GLN 374 Cb 0.25 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3gws h GLN 374 CO -0.26 0.29 0.36 0.00 -0.67 0.00 0.00 178.83 178.54 3gws h ALA 375 N 1.15 1.35 -0.45 3.87 0.00 -0.85 0.10 119.26 124.43 3gws h ALA 375 Ca 0.14 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3gws h ALA 375 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3gws h ALA 375 CO -0.05 0.52 -0.06 0.28 0.00 0.00 0.00 179.25 179.94 3gws h VAL 376 N 0.95 1.27 -0.42 0.00 2.07 -0.64 -2.05 116.25 117.43 3gws h VAL 376 Ca 0.24 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3gws h VAL 376 Cb 0.05 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3gws h VAL 376 CO -0.04 0.39 0.17 -0.07 0.02 0.00 0.00 177.57 178.04 3gws h LEU 377 N 0.68 0.59 0.01 2.57 3.38 -0.65 -3.17 115.31 118.72 3gws h LEU 377 Ca 0.12 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3gws h LEU 377 Cb 0.58 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3gws h LEU 377 CO 0.03 0.60 -0.15 0.25 0.09 0.00 0.00 178.44 179.27 3gws h LEU 378 N 0.54 -0.42 -5.10 1.67 5.85 -0.73 -3.26 115.31 113.87 3gws h LEU 378 Ca 0.14 0.06 -0.66 0.00 0.84 0.00 0.00 57.88 58.26 3gws h LEU 378 Cb 0.20 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3gws h LEU 378 CO -0.01 -0.21 3.30 0.23 -0.34 0.00 0.00 178.44 181.42 3gws n MET 379 N -5.28 3.83 -3.32 1.25 2.81 -0.78 -4.85 117.12 110.78 3gws n MET 379 Ca -0.05 -2.44 -0.44 0.00 -1.81 0.00 0.00 57.70 52.96 3gws n MET 379 Cb 0.20 -2.72 -0.08 0.00 -0.71 0.00 0.00 33.22 29.91 3gws n MET 379 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3gws s SER 380 N 1.72 6.18 0.00 7.83 0.01 -1.23 -4.51 113.70 123.70 3gws s SER 380 Ca 0.66 -1.00 0.20 0.00 1.31 0.00 0.00 55.95 57.13 3gws s SER 380 Cb 0.19 -2.22 1.22 0.00 0.21 0.00 0.00 66.02 65.42 3gws s SER 380 CO -0.07 -0.67 1.60 -1.54 0.41 0.00 0.00 173.24 172.97 3gws n SER 381 N 5.56 0.00 -0.80 2.44 3.41 -1.26 -3.05 113.62 119.91 3gws n SER 381 Ca -0.09 -0.64 0.11 0.00 -0.26 0.00 0.00 58.87 57.99 3gws n SER 381 Cb 0.45 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.48 3gws n SER 381 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gws n ASP 382 N -1.00 2.66 -4.66 4.04 5.75 -1.26 -4.78 116.55 117.30 3gws n ASP 382 Ca 0.15 -1.83 -0.45 0.00 -0.01 0.00 0.00 54.79 52.65 3gws n ASP 382 Cb 0.07 0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 3gws n ASP 382 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gws n ARG 383 N 1.03 1.93 -1.75 0.11 5.12 -1.17 -4.88 116.66 117.04 3gws n ARG 383 Ca 0.12 0.69 -0.42 0.00 -1.93 0.00 0.00 57.85 56.31 3gws n ARG 383 Cb 0.52 -2.32 -0.01 0.00 -1.16 0.00 0.00 32.46 29.49 3gws n ARG 383 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3gws n PRO 384 N 1.93 2.61 -0.42 5.56 -0.02 -1.26 -3.13 135.00 140.27 3gws n PRO 384 Ca 0.12 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3gws n PRO 384 Cb 0.31 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 3gws n PRO 384 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gws n GLY 385 N 1.50 0.83 3.76 -1.23 0.00 -1.26 -5.04 105.19 103.75 3gws n GLY 385 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3gws n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gws s LEU 386 N 0.00 3.99 -0.42 0.99 1.43 -1.18 -4.95 118.68 118.54 3gws s LEU 386 Ca 0.00 2.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.76 3gws s LEU 386 Cb 0.00 -4.16 0.50 0.00 0.03 0.00 0.00 46.19 42.57 3gws s LEU 386 CO 0.00 -1.21 1.83 0.00 0.23 0.00 0.00 176.35 177.19 3gws n ALA 387 N -0.57 5.28 0.00 4.21 0.00 -1.26 -5.11 120.51 123.07 3gws n ALA 387 Ca 0.08 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 51.01 3gws n ALA 387 Cb 0.45 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3gws n ALA 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gws n VAL 389 N -0.76 0.00 -0.08 0.00 0.31 -1.26 -5.00 118.33 111.53 3gws n VAL 389 Ca 0.50 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.75 3gws n VAL 389 Cb 1.25 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.17 3gws n VAL 389 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3gws h GLU 390 N 0.00 0.32 -0.72 5.55 4.81 -1.99 -1.59 114.58 120.96 3gws h GLU 390 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3gws h GLU 390 Cb 0.00 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3gws h GLU 390 CO 0.00 0.21 0.18 -0.09 -0.73 0.00 0.00 179.01 178.58 3gws h ARG 391 N 0.33 1.15 -0.20 1.92 9.65 -1.99 -1.57 114.38 123.67 3gws h ARG 391 Ca 0.12 -0.27 -0.15 0.00 -1.10 0.00 0.00 59.98 58.58 3gws h ARG 391 Cb 0.02 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 3gws h ARG 391 CO -0.07 1.00 -0.48 0.82 2.80 0.00 0.00 179.97 184.04 3gws h ILE 392 N 1.09 1.31 -0.56 1.20 2.04 -1.90 -0.92 117.51 119.77 3gws h ILE 392 Ca 0.23 -1.69 -0.11 0.00 1.00 0.00 0.00 64.86 64.29 3gws h ILE 392 Cb 0.37 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3gws h ILE 392 CO 0.00 0.53 -0.07 -0.08 0.00 0.00 0.00 178.15 178.53 3gws h GLU 393 N 0.43 1.02 -0.41 2.37 4.81 -1.13 -1.10 114.58 120.58 3gws h GLU 393 Ca 0.02 -0.35 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3gws h GLU 393 Cb 1.00 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 3gws h GLU 393 CO 0.09 1.04 -0.07 -0.22 -0.73 0.00 0.00 179.01 179.12 3gws h LYS 394 N 0.92 0.69 -0.41 1.92 3.64 -1.08 -0.33 116.57 121.93 3gws h LYS 394 Ca 0.15 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3gws h LYS 394 Cb 0.63 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3gws h LYS 394 CO 0.04 0.76 0.10 1.88 -2.27 0.00 0.00 179.45 179.96 3gws h TYR 395 N 0.64 0.67 -0.42 1.91 0.99 -0.87 -2.37 116.97 117.53 3gws h TYR 395 Ca 0.12 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 3gws h TYR 395 Cb 0.50 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 38.02 3gws h TYR 395 CO 0.02 0.64 0.17 0.37 -0.00 0.00 0.00 178.16 179.36 3gws h GLN 396 N 0.51 0.64 -1.00 4.88 4.15 -0.86 -1.94 115.11 121.50 3gws h GLN 396 Ca 0.13 -0.12 0.08 0.00 0.77 0.00 0.00 58.65 59.51 3gws h GLN 396 Cb 0.30 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.82 3gws h GLN 396 CO 0.00 0.60 0.64 -0.44 -1.93 0.00 0.00 178.83 177.69 3gws h ASP 397 N 0.54 0.99 -0.83 -0.69 3.32 -1.02 0.29 116.42 119.03 3gws h ASP 397 Ca 0.14 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3gws h ASP 397 Cb 0.20 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3gws h ASP 397 CO -0.01 0.60 0.47 -1.28 -1.72 0.00 0.00 179.24 177.30 3gws h SER 398 N 1.11 1.03 -0.24 6.45 0.87 -0.89 -1.11 113.55 120.76 3gws h SER 398 Ca 0.45 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.80 3gws h SER 398 Cb 0.27 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3gws h SER 398 CO -0.20 0.82 -0.32 -0.26 -0.53 0.00 0.00 176.83 176.34 3gws h PHE 399 N 1.15 0.79 -0.92 2.24 -1.00 -0.40 -2.69 116.94 116.12 3gws h PHE 399 Ca 0.29 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 3gws h PHE 399 Cb 0.01 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.37 3gws h PHE 399 CO 0.00 1.00 0.55 -0.07 -1.61 0.00 0.00 178.31 178.18 3gws h LEU 400 N 0.36 1.11 -0.11 1.54 3.38 -0.28 0.12 115.31 121.42 3gws h LEU 400 Ca 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3gws h LEU 400 Cb 0.90 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3gws h LEU 400 CO 0.08 0.85 -0.05 0.25 0.09 0.00 0.00 178.44 179.66 3gws h LEU 401 N 1.27 0.24 -1.00 1.67 5.85 -1.23 -0.51 115.31 121.59 3gws h LEU 401 Ca 0.33 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3gws h LEU 401 Cb -0.05 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3gws h LEU 401 CO -0.06 0.60 0.66 0.00 -0.34 0.00 0.00 178.44 179.30 3gws h ALA 402 N 0.65 1.28 0.18 1.25 0.00 -1.32 -1.06 119.26 120.23 3gws h ALA 402 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gws h ALA 402 Cb 0.51 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gws h ALA 402 CO 0.02 0.65 -0.09 0.35 0.00 0.00 0.00 179.25 180.18 3gws h PHE 403 N 1.35 -0.23 -0.62 0.00 -0.00 -0.59 0.11 116.94 116.96 3gws h PHE 403 Ca 0.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 58.31 3gws h PHE 403 Cb -0.14 0.07 -0.03 0.00 -0.00 0.00 0.00 35.95 35.86 3gws h PHE 403 CO -0.00 -0.13 0.28 1.49 -0.00 0.00 0.00 178.31 179.95 3gws h GLU 404 N -0.26 0.87 -0.44 1.11 4.81 -0.77 -0.46 114.58 119.45 3gws h GLU 404 Ca -0.02 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 3gws h GLU 404 Cb 0.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3gws h GLU 404 CO 0.04 0.68 -0.29 0.45 -0.73 0.00 0.00 179.01 179.16 3gws h HIS 405 N 0.87 1.12 -0.71 0.92 3.86 -0.92 -1.70 115.15 118.59 3gws h HIS 405 Ca 0.21 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 3gws h HIS 405 Cb 0.11 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 3gws h HIS 405 CO 0.01 1.13 0.30 -0.92 0.86 0.00 0.00 177.93 179.30 3gws h TYR 406 N 0.81 1.05 -0.28 2.45 3.20 -0.14 -1.72 116.97 122.34 3gws h TYR 406 Ca 0.09 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3gws h TYR 406 Cb 0.88 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3gws h TYR 406 CO 0.06 0.79 -0.24 0.82 -1.64 0.00 0.00 178.16 177.95 3gws h ILE 407 N 1.02 1.27 -0.60 1.81 2.04 -0.87 -1.12 117.51 121.06 3gws h ILE 407 Ca 0.24 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3gws h ILE 407 Cb 0.17 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3gws h ILE 407 CO -0.02 0.41 0.24 0.78 0.00 0.00 0.00 178.15 179.55 3gws h ASN 408 N 0.48 0.84 -0.17 1.72 2.35 -0.92 -2.65 115.58 117.22 3gws h ASN 408 Ca 0.07 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 3gws h ASN 408 Cb 0.67 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3gws h ASN 408 CO 0.05 0.78 -0.02 0.22 -1.65 0.00 0.00 177.43 176.81 3gws h TYR 409 N 0.84 0.46 0.00 1.19 3.20 -0.96 -3.03 116.97 118.68 3gws h TYR 409 Ca 0.20 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3gws h TYR 409 Cb 0.21 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3gws h TYR 409 CO 0.01 0.48 -0.45 0.00 -1.64 0.00 0.00 178.16 176.56 3gws h ARG 410 N 0.43 0.00 -6.32 1.82 2.47 -0.95 -3.48 114.38 108.35 3gws h ARG 410 Ca 0.09 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.37 3gws h ARG 410 Cb 0.32 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 28.70 3gws h ARG 410 CO 0.01 0.45 -0.92 1.63 0.56 0.00 0.00 179.97 181.71 3gws n LYS 411 N -3.32 -1.09 -1.89 0.04 5.02 -1.02 -4.91 118.16 110.98 3gws n LYS 411 Ca 0.01 0.47 -0.41 0.00 -2.02 0.00 0.00 58.31 56.37 3gws n LYS 411 Cb 0.65 -3.84 -0.01 0.00 -0.02 0.00 0.00 35.03 31.82 3gws n LYS 411 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3gws s HIS 412 N -3.41 2.73 0.00 2.13 3.76 -1.26 -4.87 115.29 114.36 3gws s HIS 412 Ca 0.42 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 3gws s HIS 412 Cb -0.17 -3.93 0.00 0.00 1.11 0.00 0.00 32.58 29.60 3gws s HIS 412 CO 0.87 -2.69 0.00 1.58 -0.85 0.00 0.00 174.74 173.65 3gws n HIS 413 N 0.66 0.00 -4.47 1.40 -0.00 -1.26 -4.78 115.22 106.76 3gws n HIS 413 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.42 3gws n HIS 413 Cb 0.40 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.22 3gws n HIS 413 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3gws s VAL 414 N 0.00 1.90 0.42 3.57 1.01 -1.26 -5.17 120.40 120.87 3gws s VAL 414 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 3gws s VAL 414 Cb 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 3gws s VAL 414 CO 0.00 0.52 1.09 0.28 0.00 0.00 0.00 175.10 176.99 3gws s THR 415 N 1.00 3.52 -1.61 3.92 -1.32 -1.26 -3.60 115.64 116.28 3gws s THR 415 Ca -0.04 1.15 -0.13 0.00 -1.21 0.00 0.00 61.69 61.46 3gws s THR 415 Cb -0.15 -3.59 0.11 0.00 -1.51 0.00 0.00 72.50 67.37 3gws s THR 415 CO -0.05 -0.01 0.72 1.41 -2.21 0.00 0.00 174.62 174.49 3gws n HIS 416 N -0.23 -1.80 0.20 9.09 8.25 -1.26 -4.87 115.22 124.60 3gws n HIS 416 Ca 0.06 0.80 -0.15 0.00 -0.26 0.00 0.00 57.72 58.17 3gws n HIS 416 Cb 0.49 -3.29 -0.07 0.00 1.12 0.00 0.00 29.99 28.24 3gws n HIS 416 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3gws h PHE 417 N -1.67 -0.72 -0.05 4.41 3.57 -1.96 -1.70 116.94 118.83 3gws h PHE 417 Ca -0.60 0.00 0.03 0.00 3.53 0.00 0.00 57.97 60.93 3gws h PHE 417 Cb 1.38 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 40.35 3gws h PHE 417 CO 0.59 -0.40 -0.18 2.35 -2.23 0.00 0.00 178.31 178.44 3gws h TRP 418 N -0.60 -0.48 -0.93 0.41 2.91 -1.91 0.14 115.95 115.48 3gws h TRP 418 Ca -0.02 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.08 3gws h TRP 418 Cb 0.53 0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 29.35 3gws h TRP 418 CO -0.15 -0.26 0.61 -1.35 -1.03 0.00 0.00 178.44 176.25 3gws h PRO 419 N -0.28 1.06 -0.40 2.65 0.11 -1.95 -1.31 132.00 131.89 3gws h PRO 419 Ca 0.07 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 3gws h PRO 419 Cb 0.37 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3gws h PRO 419 CO -0.21 0.70 -0.16 0.87 -0.21 0.00 0.00 178.00 179.00 3gws h LYS 420 N 1.09 0.73 -0.28 1.05 1.57 -0.40 -2.74 116.57 117.60 3gws h LYS 420 Ca 0.40 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3gws h LYS 420 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3gws h LYS 420 CO -0.15 0.85 -0.01 1.25 -0.57 0.00 0.00 179.45 180.83 3gws h LEU 421 N 0.66 0.50 -1.82 2.94 5.85 -0.07 -2.94 115.31 120.42 3gws h LEU 421 Ca 0.10 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3gws h LEU 421 Cb 0.63 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3gws h LEU 421 CO 0.04 0.69 0.21 -0.07 -0.34 0.00 0.00 178.44 178.97 3gws h LEU 422 N 0.29 0.19 -1.73 2.25 3.38 -1.13 0.11 115.31 118.68 3gws h LEU 422 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3gws h LEU 422 Cb 0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3gws h LEU 422 CO 0.02 0.13 -0.15 0.24 0.09 0.00 0.00 178.44 178.76 3gws h MET 423 N 0.22 0.00 -0.14 1.13 2.86 -1.30 -1.84 114.93 115.86 3gws h MET 423 Ca 0.13 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 3gws h MET 423 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3gws h MET 423 CO -0.02 0.15 -0.40 0.87 1.06 0.00 0.00 176.91 178.57 3gws h LYS 424 N 0.00 0.32 -0.38 1.72 1.79 -0.76 -2.18 116.57 117.08 3gws h LYS 424 Ca -0.00 -0.15 0.02 0.00 -2.18 0.00 0.00 60.65 58.33 3gws h LYS 424 Cb 0.28 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 3gws h LYS 424 CO 0.02 0.67 0.22 0.28 -1.08 0.00 0.00 179.45 179.56 3gws h VAL 425 N 0.27 1.04 -0.76 0.50 2.07 -1.18 0.04 116.25 118.23 3gws h VAL 425 Ca 0.03 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gws h VAL 425 Cb 0.82 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3gws h VAL 425 CO 0.07 0.08 0.50 0.74 0.02 0.00 0.00 177.57 178.98 3gws h THR 426 N 0.45 1.18 -0.57 2.57 2.02 -1.31 -1.11 112.91 116.13 3gws h THR 426 Ca 0.15 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3gws h THR 426 Cb 0.01 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 3gws h THR 426 CO -0.07 0.18 0.13 0.44 0.37 0.00 0.00 175.52 176.58 3gws h ASP 427 N 1.01 0.86 -0.40 4.18 3.32 -0.84 -1.23 116.42 123.33 3gws h ASP 427 Ca 0.28 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3gws h ASP 427 Cb -0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3gws h ASP 427 CO -0.07 0.87 0.18 -0.07 -1.72 0.00 0.00 179.24 178.43 3gws h LEU 428 N 0.81 0.57 -0.21 1.55 3.38 -0.75 -0.11 115.31 120.56 3gws h LEU 428 Ca 0.18 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3gws h LEU 428 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3gws h LEU 428 CO 0.00 0.52 0.05 -0.09 0.09 0.00 0.00 178.44 179.02 3gws h ARG 429 N 0.63 0.14 -0.74 1.13 9.65 -0.57 -1.75 114.38 122.88 3gws h ARG 429 Ca 0.16 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 3gws h ARG 429 Cb 0.13 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 3gws h ARG 429 CO -0.02 0.09 0.32 0.52 2.80 0.00 0.00 179.97 183.69 3gws h MET 430 N 0.14 1.09 -0.77 0.20 2.86 -0.30 -2.11 114.93 116.03 3gws h MET 430 Ca 0.09 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3gws h MET 430 Cb 0.08 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3gws h MET 430 CO -0.12 0.87 0.49 0.82 1.06 0.00 0.00 176.91 180.04 3gws h ILE 431 N 1.05 1.21 -0.29 -1.22 2.04 -0.77 -2.47 117.51 117.06 3gws h ILE 431 Ca 0.25 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3gws h ILE 431 Cb 0.17 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3gws h ILE 431 CO -0.03 0.21 0.19 1.23 0.00 0.00 0.00 178.15 179.75 3gws h GLY 432 N 1.05 0.40 -1.55 5.37 0.00 -1.02 -1.75 103.07 105.58 3gws h GLY 432 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3gws h GLY 432 CO -0.06 0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.63 3gws n ALA 433 N -2.17 1.59 0.00 3.60 0.00 -0.82 -2.28 120.51 120.42 3gws n ALA 433 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gws n ALA 433 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3gws n ALA 433 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3gws n HIS 435 N 0.65 0.00 -0.14 0.00 -0.00 -0.66 -2.77 115.22 112.29 3gws n HIS 435 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 3gws n HIS 435 Cb 0.10 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.13 3gws n HIS 435 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gws h ALA 436 N 0.00 0.56 -0.67 1.57 0.00 -1.73 0.23 119.26 119.22 3gws h ALA 436 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3gws h ALA 436 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3gws h ALA 436 CO 0.00 -0.16 0.16 1.03 0.00 0.00 0.00 179.25 180.29 3gws h SER 437 N 0.41 1.02 -0.77 0.00 0.87 -1.83 -2.34 113.55 110.92 3gws h SER 437 Ca 0.20 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3gws h SER 437 Cb 0.14 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3gws h SER 437 CO -0.16 0.99 0.49 0.03 -0.53 0.00 0.00 176.83 177.65 3gws h ARG 438 N 1.00 1.03 -0.59 2.24 2.47 -1.68 -1.60 114.38 117.26 3gws h ARG 438 Ca 0.21 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.80 3gws h ARG 438 Cb 0.37 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 3gws h ARG 438 CO 0.00 0.70 0.13 0.35 0.56 0.00 0.00 179.97 181.71 3gws h PHE 439 N 1.06 0.96 -0.54 3.04 3.57 -0.08 0.42 116.94 125.37 3gws h PHE 439 Ca 0.28 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3gws h PHE 439 Cb -0.08 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 3gws h PHE 439 CO 0.00 0.80 0.07 -0.07 -2.23 0.00 0.00 178.31 176.89 3gws h LEU 440 N 0.88 0.86 -1.24 0.59 3.38 -0.88 -2.06 115.31 116.84 3gws h LEU 440 Ca 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3gws h LEU 440 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3gws h LEU 440 CO 0.00 0.92 0.07 0.45 0.09 0.00 0.00 178.44 179.96 3gws h HIS 441 N 0.78 0.60 0.07 1.13 3.86 -0.84 -3.08 115.15 117.67 3gws h HIS 441 Ca 0.16 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3gws h HIS 441 Cb 0.43 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3gws h HIS 441 CO 0.03 0.54 -0.03 0.52 0.86 0.00 0.00 177.93 179.85 3gws h MET 442 N 0.57 -0.09 0.00 2.45 2.86 -0.55 -3.00 114.93 117.17 3gws h MET 442 Ca 0.13 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3gws h MET 442 Cb 0.26 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3gws h MET 442 CO 0.00 0.28 0.00 0.36 1.06 0.00 0.00 176.91 178.61 3gws n LYS 443 N -4.95 0.64 -0.02 1.72 2.85 -0.81 -0.28 118.16 117.30 3gws n LYS 443 Ca -0.08 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.10 3gws n LYS 443 Cb 0.22 -1.33 -0.13 0.00 -0.65 0.00 0.00 35.03 33.13 3gws n LYS 443 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3gws n VAL 444 N -0.83 1.56 0.00 0.58 0.31 -1.14 -4.80 118.33 114.00 3gws n VAL 444 Ca 0.10 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3gws n VAL 444 Cb 0.05 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 3gws n VAL 444 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gws n GLU 445 N -3.02 0.00 -1.13 5.55 1.02 0.61 -5.01 120.64 118.66 3gws n GLU 445 Ca -0.16 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.62 3gws n GLU 445 Cb 1.03 -0.03 0.06 0.00 -0.02 0.00 0.00 31.44 32.48 3gws n GLU 445 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gws n PRO 447 N 0.05 -0.73 -0.03 0.00 -0.04 -1.26 -4.56 135.00 128.43 3gws n PRO 447 Ca 0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 3gws n PRO 447 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 3gws n PRO 447 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3gws n THR 448 N -2.26 0.71 0.62 0.52 -2.24 -1.26 -4.18 114.28 106.19 3gws n THR 448 Ca 0.00 -0.66 0.10 0.00 -2.27 0.00 0.00 64.05 61.22 3gws n THR 448 Cb 0.00 -0.31 0.43 0.00 -2.10 0.00 0.00 70.33 68.35 3gws n THR 448 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gws n GLU 449 N -2.56 0.06 0.01 -0.78 4.71 -1.26 -2.32 120.64 118.50 3gws n GLU 449 Ca -0.14 0.22 0.13 0.00 -0.01 0.00 0.00 57.16 57.36 3gws n GLU 449 Cb 0.81 -1.60 0.51 0.00 -1.01 0.00 0.00 31.44 30.16 3gws n GLU 449 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 3gws n LEU 450 N -1.70 0.21 -4.62 -4.62 -0.00 -1.26 -4.77 117.00 100.23 3gws n LEU 450 Ca 0.04 0.41 -0.38 0.00 -0.00 0.00 0.00 56.01 56.08 3gws n LEU 450 Cb 0.25 -0.42 -0.10 0.00 -0.00 0.00 0.00 43.42 43.14 3gws n LEU 450 CO 0.19 0.00 -0.14 -0.36 -0.00 0.00 0.00 177.39 177.09 3gws s PHE 451 N -3.02 3.26 0.50 1.47 0.40 -0.98 -4.96 117.98 114.65 3gws s PHE 451 Ca 0.13 0.20 -0.23 0.00 -0.60 0.00 0.00 56.93 56.42 3gws s PHE 451 Cb 0.18 -2.37 -0.07 0.00 0.51 0.00 0.00 43.02 41.27 3gws s PHE 451 CO 0.58 -0.09 1.39 -2.14 0.70 0.00 0.00 175.22 175.65 3gws s PRO 452 N 1.55 3.43 0.28 0.24 0.02 -1.26 -4.85 135.00 134.41 3gws s PRO 452 Ca 0.08 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.43 3gws s PRO 452 Cb -0.15 -2.46 0.58 0.00 0.02 0.00 0.00 34.50 32.49 3gws s PRO 452 CO 0.09 -0.99 1.82 -1.35 -0.33 0.00 0.00 177.00 176.24 3gws h PRO 453 N 1.90 0.89 -0.09 5.54 0.11 -1.97 -1.37 132.00 137.02 3gws h PRO 453 Ca -0.51 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.38 3gws h PRO 453 Cb 1.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gws h PRO 453 CO 0.59 0.59 -0.68 1.25 -0.21 0.00 0.00 178.00 179.54 3gws h LEU 454 N 0.92 0.44 -1.09 2.35 5.85 -1.99 -1.65 115.31 120.14 3gws h LEU 454 Ca 0.51 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3gws h LEU 454 Cb 0.57 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3gws h LEU 454 CO -0.29 1.00 0.61 0.15 -0.34 0.00 0.00 178.44 179.56 3gws h PHE 455 N 0.27 1.16 -0.24 1.25 3.57 -1.65 -2.12 116.94 119.18 3gws h PHE 455 Ca -0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3gws h PHE 455 Cb 1.24 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 3gws h PHE 455 CO 0.04 0.73 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.58 3gws h LEU 456 N 1.25 0.58 -0.77 0.59 3.38 -1.11 -2.88 115.31 116.36 3gws h LEU 456 Ca 0.34 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3gws h LEU 456 Cb -0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 3gws h LEU 456 CO -0.07 0.92 0.45 -0.33 0.09 0.00 0.00 178.44 179.50 3gws h GLU 457 N 0.25 0.80 -0.08 1.13 5.08 -0.97 0.55 114.58 121.35 3gws h GLU 457 Ca 0.04 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3gws h GLU 457 Cb 0.74 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3gws h GLU 457 CO 0.05 0.53 -0.66 0.28 -1.00 0.00 0.00 179.01 178.21 3gws h VAL 458 N 0.82 1.35 -0.32 3.13 2.07 -1.40 -3.24 116.25 118.65 3gws h VAL 458 Ca 0.34 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3gws h VAL 458 Cb 0.20 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3gws h VAL 458 CO -0.18 0.60 0.00 0.49 0.02 0.00 0.00 177.57 178.49 3gws n PHE 459 N -4.11 0.41 -0.30 1.57 3.01 -1.09 -4.75 117.46 112.19 3gws n PHE 459 Ca -0.09 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.15 3gws n PHE 459 Cb 0.69 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 3gws n PHE 459 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92