#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oz3 s SER 207 N 0.00 0.41 0.15 5.87 1.04 -1.26 -5.03 113.70 114.88 1oz3 s SER 207 Ca 0.00 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 1oz3 s SER 207 Cb 0.00 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1oz3 s SER 207 CO 0.00 -0.46 1.58 -0.50 0.98 0.00 0.00 173.24 174.84 1oz3 h TRP 208 N 3.82 1.02 -0.53 5.02 4.06 -2.03 -2.45 115.95 124.86 1oz3 h TRP 208 Ca -0.33 -0.21 0.01 0.00 2.06 0.00 0.00 58.89 60.42 1oz3 h TRP 208 Cb 1.17 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 29.05 1oz3 h TRP 208 CO 0.59 0.98 0.35 0.93 -3.56 0.00 0.00 178.44 177.73 1oz3 h GLU 209 N 0.77 0.69 -0.33 0.49 4.39 -2.00 -0.09 114.58 118.50 1oz3 h GLU 209 Ca 0.13 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 1oz3 h GLU 209 Cb 0.62 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1oz3 h GLU 209 CO 0.04 0.46 -0.44 0.77 -1.16 0.00 0.00 179.01 178.69 1oz3 h SER 210 N 0.72 0.92 -0.49 1.42 0.02 -1.98 -2.79 113.55 111.37 1oz3 h SER 210 Ca 0.19 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 1oz3 h SER 210 Cb -0.08 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 1oz3 h SER 210 CO -0.04 1.22 0.01 0.22 -1.14 0.00 0.00 176.83 177.10 1oz3 h TYR 211 N 0.69 0.98 -0.33 3.45 3.20 -0.94 -1.75 116.97 122.27 1oz3 h TYR 211 Ca 0.04 -0.15 -0.14 0.00 3.14 0.00 0.00 58.73 61.62 1oz3 h TYR 211 Cb 1.02 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1oz3 h TYR 211 CO 0.06 0.88 -0.38 -0.07 -1.64 0.00 0.00 178.16 177.01 1oz3 h LEU 212 N 0.85 0.82 -0.15 2.82 3.38 -0.98 -1.53 115.31 120.51 1oz3 h LEU 212 Ca 0.16 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1oz3 h LEU 212 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1oz3 h LEU 212 CO 0.02 1.10 0.04 -0.33 0.09 0.00 0.00 178.44 179.36 1oz3 h GLU 213 N 0.64 0.24 -0.57 1.13 5.08 -1.33 0.48 114.58 120.26 1oz3 h GLU 213 Ca 0.06 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1oz3 h GLU 213 Cb 0.92 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 1oz3 h GLU 213 CO 0.08 0.39 0.26 1.49 -1.00 0.00 0.00 179.01 180.23 1oz3 h GLU 214 N 0.06 0.46 -0.01 2.33 4.81 -1.29 -2.91 114.58 118.03 1oz3 h GLU 214 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1oz3 h GLU 214 Cb 0.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1oz3 h GLU 214 CO 0.00 0.31 -0.31 1.04 -0.73 0.00 0.00 179.01 179.31 1oz3 n GLN 215 N -4.93 0.70 -3.73 1.92 1.13 -0.58 -4.95 117.38 106.94 1oz3 n GLN 215 Ca 0.07 -0.42 -0.23 0.00 -1.94 0.00 0.00 57.00 54.48 1oz3 n GLN 215 Cb 0.20 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.09 1oz3 n GLN 215 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1oz3 n LYS 216 N -0.78 -3.93 -4.44 -1.09 5.02 0.09 -4.97 118.16 108.06 1oz3 n LYS 216 Ca 0.11 0.56 -0.22 0.00 -2.02 0.00 0.00 58.31 56.74 1oz3 n LYS 216 Cb 0.35 -4.92 -0.10 0.00 -0.02 0.00 0.00 35.03 30.33 1oz3 n LYS 216 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oz3 s ALA 217 N -3.69 2.53 -0.03 7.82 0.00 -0.78 -5.06 121.76 122.55 1oz3 s ALA 217 Ca 0.09 -1.83 0.06 0.00 0.00 0.00 0.00 51.96 50.27 1oz3 s ALA 217 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1oz3 s ALA 217 CO 0.83 0.19 -0.20 0.42 0.00 0.00 0.00 175.76 177.00 1oz3 s ILE 218 N -2.68 1.62 0.35 0.00 1.01 -1.26 -4.76 121.20 115.47 1oz3 s ILE 218 Ca 0.28 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 1oz3 s ILE 218 Cb -0.03 -1.36 -0.10 0.00 0.01 0.00 0.00 42.46 40.99 1oz3 s ILE 218 CO 0.13 0.46 0.80 0.42 0.00 0.00 0.00 174.94 176.75 1oz3 s THR 219 N -0.28 4.58 0.01 2.92 -4.23 -1.26 -1.66 115.64 115.71 1oz3 s THR 219 Ca 0.03 1.15 -0.31 0.00 -1.18 0.00 0.00 61.69 61.37 1oz3 s THR 219 Cb -0.10 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 1oz3 s THR 219 CO 0.01 -0.19 1.93 0.00 -0.54 0.00 0.00 174.62 175.83 1oz3 n ALA 220 N -0.35 1.41 -1.74 3.99 0.00 0.20 -4.74 120.51 119.28 1oz3 n ALA 220 Ca 0.04 0.24 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 1oz3 n ALA 220 Cb 0.53 -2.62 0.05 0.00 0.00 0.00 0.00 19.45 17.42 1oz3 n ALA 220 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1oz3 s PRO 221 N 4.18 2.90 0.38 0.00 0.02 -1.26 -4.61 135.00 136.61 1oz3 s PRO 221 Ca 0.90 2.18 0.20 0.00 0.02 0.00 0.00 61.00 64.30 1oz3 s PRO 221 Cb -0.52 -2.09 1.20 0.00 0.02 0.00 0.00 34.50 33.10 1oz3 s PRO 221 CO 0.45 -1.36 1.67 -0.24 -0.33 0.00 0.00 177.00 177.19 1oz3 h VAL 222 N 1.09 0.28 -0.01 3.83 3.04 -1.95 -1.89 116.25 120.64 1oz3 h VAL 222 Ca -0.51 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1oz3 h VAL 222 Cb 1.32 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1oz3 h VAL 222 CO 0.56 0.05 0.03 0.77 -1.01 0.00 0.00 177.57 177.96 1oz3 h SER 223 N 0.26 0.00 1.19 3.17 4.64 -2.00 -1.78 113.55 119.03 1oz3 h SER 223 Ca 0.74 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.06 1oz3 h SER 223 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1oz3 h SER 223 CO -0.49 0.00 -0.11 0.18 -0.87 0.00 0.00 176.83 175.53 1oz3 n LEU 224 N -3.26 0.54 -4.93 5.97 4.77 -0.71 -4.88 117.00 114.49 1oz3 n LEU 224 Ca -0.03 0.47 -0.26 0.00 -0.03 0.00 0.00 56.01 56.16 1oz3 n LEU 224 Cb 0.10 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1oz3 n LEU 224 CO 0.21 -0.09 0.04 -0.36 -1.33 0.00 0.00 177.39 175.86 1oz3 s PHE 225 N -3.07 3.48 0.56 -1.77 0.40 -0.67 -4.82 117.98 112.09 1oz3 s PHE 225 Ca 0.11 0.30 -0.20 0.00 -0.60 0.00 0.00 56.93 56.54 1oz3 s PHE 225 Cb 0.15 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1oz3 s PHE 225 CO 0.60 0.35 1.23 -0.65 0.70 0.00 0.00 175.22 177.45 1oz3 s GLN 226 N -3.53 3.14 0.36 0.44 -1.52 -1.26 -4.90 119.66 112.39 1oz3 s GLN 226 Ca 0.38 1.90 0.12 0.00 -1.95 0.00 0.00 55.36 55.81 1oz3 s GLN 226 Cb -0.11 -2.08 0.91 0.00 -0.22 0.00 0.00 33.01 31.52 1oz3 s GLN 226 CO 0.30 -1.09 1.80 -0.44 -0.25 0.00 0.00 175.29 175.61 1oz3 h ASP 227 N 1.21 0.61 0.30 5.90 3.45 -1.98 -1.24 116.42 124.67 1oz3 h ASP 227 Ca -0.50 0.08 -0.09 0.00 0.43 0.00 0.00 57.03 56.94 1oz3 h ASP 227 Cb 1.29 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 1oz3 h ASP 227 CO 0.56 0.21 -0.38 0.77 -1.57 0.00 0.00 179.24 178.84 1oz3 h SER 228 N 0.59 0.11 1.05 6.45 4.64 -1.96 -1.60 113.55 122.83 1oz3 h SER 228 Ca 0.54 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.68 1oz3 h SER 228 Cb 1.08 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1oz3 h SER 228 CO -0.30 0.49 -0.67 1.56 -0.87 0.00 0.00 176.83 177.04 1oz3 h GLN 229 N 0.10 0.00 0.00 4.77 4.20 -1.56 -3.36 115.11 119.26 1oz3 h GLN 229 Ca 0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1oz3 h GLN 229 Cb 0.72 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1oz3 h GLN 229 CO 0.05 0.67 -1.49 0.00 -0.67 0.00 0.00 178.83 177.40 1oz3 n ALA 230 N -2.31 2.03 -2.23 3.87 0.00 -0.99 -4.54 120.51 116.34 1oz3 n ALA 230 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 1oz3 n ALA 230 Cb 0.74 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1oz3 n ALA 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1oz3 s VAL 231 N -2.98 3.73 -0.16 0.00 0.11 -0.63 -4.86 120.40 115.61 1oz3 s VAL 231 Ca -0.04 1.11 0.07 0.00 -2.93 0.00 0.00 61.98 60.19 1oz3 s VAL 231 Cb 0.09 -3.71 -0.10 0.00 -1.53 0.00 0.00 36.38 31.13 1oz3 s VAL 231 CO 0.82 -0.01 0.23 0.35 -3.33 0.00 0.00 175.10 173.16 1oz3 n THR 232 N 4.69 0.00 1.54 5.04 -2.24 -1.26 -4.73 114.28 117.32 1oz3 n THR 232 Ca 0.13 -0.24 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 1oz3 n THR 232 Cb 0.44 0.65 0.56 0.00 -2.10 0.00 0.00 70.33 69.88 1oz3 n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oz3 n HIS 233 N -1.48 0.03 -3.07 4.78 1.44 -1.26 -4.65 115.22 111.02 1oz3 n HIS 233 Ca -0.00 -0.02 -0.40 0.00 -2.01 0.00 0.00 57.72 55.30 1oz3 n HIS 233 Cb 0.15 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 1oz3 n HIS 233 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1oz3 s ASN 234 N -1.92 7.05 0.43 4.39 0.01 -1.26 -5.06 114.94 118.59 1oz3 s ASN 234 Ca 0.38 1.26 -0.20 0.00 -0.71 0.00 0.00 52.86 53.59 1oz3 s ASN 234 Cb 0.20 -2.42 -0.11 0.00 0.41 0.00 0.00 41.25 39.34 1oz3 s ASN 234 CO 0.32 -0.02 0.95 -0.54 -1.51 0.00 0.00 177.10 176.30 1oz3 s LYS 235 N 0.28 4.19 -0.54 -0.60 -0.14 -1.26 -4.98 119.74 116.69 1oz3 s LYS 235 Ca 0.36 1.09 -0.25 0.00 -1.36 0.00 0.00 55.97 55.80 1oz3 s LYS 235 Cb -0.19 -2.18 0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1oz3 s LYS 235 CO 0.19 -0.05 1.00 1.21 -0.76 0.00 0.00 175.35 176.95 1oz3 s ASN 236 N -2.28 6.40 0.00 2.83 3.84 -1.26 -4.90 114.94 119.57 1oz3 s ASN 236 Ca 0.61 -0.14 0.27 0.00 0.21 0.00 0.00 52.86 53.82 1oz3 s ASN 236 Cb -0.09 -2.47 0.97 0.00 -0.55 0.00 0.00 41.25 39.11 1oz3 s ASN 236 CO 0.15 -1.26 1.73 0.61 -2.79 0.00 0.00 177.10 175.54 1oz3 n GLY 237 N 5.07 -1.29 3.76 1.21 0.00 -1.26 -4.90 105.19 107.78 1oz3 n GLY 237 Ca 0.04 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1oz3 n GLY 237 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oz3 s PHE 238 N -2.89 3.38 0.08 1.61 0.40 -1.26 -5.02 117.98 114.27 1oz3 s PHE 238 Ca 0.16 1.62 0.05 0.00 -0.60 0.00 0.00 56.93 58.17 1oz3 s PHE 238 Cb 0.19 -3.36 -0.03 0.00 0.51 0.00 0.00 43.02 40.33 1oz3 s PHE 238 CO 0.58 -0.90 -0.14 0.15 0.70 0.00 0.00 175.22 175.61 1oz3 s LYS 239 N -1.74 0.84 0.13 0.44 -0.14 -1.26 -4.98 119.74 113.03 1oz3 s LYS 239 Ca 0.48 -0.98 -0.35 0.00 -1.36 0.00 0.00 55.97 53.76 1oz3 s LYS 239 Cb -0.32 -0.85 -0.16 0.00 -1.68 0.00 0.00 37.83 34.82 1oz3 s LYS 239 CO 0.41 0.19 1.27 1.28 -0.76 0.00 0.00 175.35 177.74 1oz3 n LEU 240 N 1.22 1.65 -0.86 3.17 4.77 -1.26 -4.71 117.00 120.98 1oz3 n LEU 240 Ca -0.21 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1oz3 n LEU 240 Cb 0.54 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1oz3 n LEU 240 CO 0.22 -1.13 0.00 0.61 -1.33 0.00 0.00 177.39 175.76 1oz3 n GLY 241 N 2.32 -0.70 3.35 -0.72 0.00 0.08 -4.98 105.19 104.54 1oz3 n GLY 241 Ca 0.17 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1oz3 n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz3 s LYS 243 N -0.62 0.74 0.10 1.61 1.02 -0.65 -4.56 119.74 117.38 1oz3 s LYS 243 Ca 0.00 0.15 -0.03 0.00 0.02 0.00 0.00 55.97 56.10 1oz3 s LYS 243 Cb 0.00 0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.67 1oz3 s LYS 243 CO 0.00 -0.19 0.19 1.47 -0.92 0.00 0.00 175.35 175.89 1oz3 n LEU 244 N 1.57 0.00 -4.39 3.17 -0.00 0.47 -0.85 117.00 116.97 1oz3 n LEU 244 Ca -0.19 -0.64 -0.30 0.00 -0.00 0.00 0.00 56.01 54.88 1oz3 n LEU 244 Cb 0.56 0.91 -0.13 0.00 -0.00 0.00 0.00 43.42 44.76 1oz3 n LEU 244 CO 0.20 -0.21 -0.55 -1.61 -0.00 0.00 0.00 177.39 175.22 1oz3 s GLU 245 N -2.04 1.65 -0.03 1.47 2.02 -0.09 -0.89 118.70 120.79 1oz3 s GLU 245 Ca 0.04 -1.21 -0.30 0.00 0.02 0.00 0.00 54.97 53.52 1oz3 s GLU 245 Cb -0.01 -1.98 0.11 0.00 0.10 0.00 0.00 34.13 32.34 1oz3 s GLU 245 CO 0.03 0.48 0.97 0.20 0.02 0.00 0.00 175.26 176.96 1oz3 s GLY 246 N -1.73 -0.41 0.58 -1.39 0.00 -0.34 -0.17 107.32 103.86 1oz3 s GLY 246 Ca 0.14 1.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 1oz3 s GLY 246 CO 0.05 0.35 1.08 -0.26 0.00 0.00 0.00 173.10 174.32 1oz3 s ILE 247 N -2.97 3.56 -0.23 0.90 -4.36 -0.76 -1.14 121.20 116.20 1oz3 s ILE 247 Ca 0.06 0.81 -0.25 0.00 -0.26 0.00 0.00 60.65 61.02 1oz3 s ILE 247 Cb -0.01 -3.31 -0.00 0.00 1.25 0.00 0.00 42.46 40.38 1oz3 s ILE 247 CO -0.07 -0.36 0.85 -0.62 0.24 0.00 0.00 174.94 174.98 1oz3 s ASP 248 N -2.42 6.89 0.56 4.36 -1.08 -1.25 -4.91 116.67 118.82 1oz3 s ASP 248 Ca 0.67 1.10 0.25 0.00 -0.52 0.00 0.00 52.55 54.05 1oz3 s ASP 248 Cb -0.18 -2.45 1.54 0.00 -1.46 0.00 0.00 42.92 40.36 1oz3 s ASP 248 CO 0.33 -0.51 2.11 -0.65 0.52 0.00 0.00 175.17 176.97 1oz3 h PRO 249 N 7.59 0.00 0.00 4.34 0.11 -1.96 0.15 132.00 142.23 1oz3 h PRO 249 Ca -0.24 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 1oz3 h PRO 249 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1oz3 h PRO 249 CO 0.88 0.00 -0.62 0.37 -0.21 0.00 0.00 178.00 178.42 1oz3 h GLN 250 N 0.00 0.00 -2.46 1.05 5.75 -1.96 -3.38 115.11 114.12 1oz3 h GLN 250 Ca 0.09 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 58.00 1oz3 h GLN 250 Cb 0.42 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 28.58 1oz3 h GLN 250 CO -0.00 0.62 -0.89 0.72 -2.65 0.00 0.00 178.83 176.62 1oz3 n HIS 251 N -3.34 0.21 0.65 3.99 8.25 -0.00 -4.56 115.22 120.42 1oz3 n HIS 251 Ca 0.01 -3.58 0.06 0.00 -0.26 0.00 0.00 57.72 53.94 1oz3 n HIS 251 Cb 0.74 -0.03 0.33 0.00 1.12 0.00 0.00 29.99 32.15 1oz3 n HIS 251 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1oz3 n PRO 252 N 2.38 0.27 -0.84 -0.41 -0.04 -0.93 -3.77 135.00 131.66 1oz3 n PRO 252 Ca 0.27 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.67 1oz3 n PRO 252 Cb 0.46 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1oz3 n PRO 252 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1oz3 n SER 253 N -1.15 6.21 -3.62 3.54 3.41 -1.26 -4.86 113.62 115.89 1oz3 n SER 253 Ca 0.07 -2.99 -0.10 0.00 -0.26 0.00 0.00 58.87 55.59 1oz3 n SER 253 Cb 0.07 -1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 62.91 1oz3 n SER 253 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1oz3 s TYR 255 N -1.64 -0.48 0.10 7.33 2.02 -1.25 -4.94 117.35 118.49 1oz3 s TYR 255 Ca 0.28 1.07 0.03 0.00 -0.37 0.00 0.00 57.07 58.08 1oz3 s TYR 255 Cb 0.22 0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 42.12 1oz3 s TYR 255 CO -0.00 -0.29 -0.09 -0.06 -1.57 0.00 0.00 175.55 173.54 1oz3 s PHE 256 N -0.18 1.02 -0.02 2.71 0.40 -0.29 -0.60 117.98 121.02 1oz3 s PHE 256 Ca 0.01 -0.75 -0.30 0.00 -0.60 0.00 0.00 56.93 55.29 1oz3 s PHE 256 Cb -0.04 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 1oz3 s PHE 256 CO -0.03 -0.04 1.25 0.42 0.70 0.00 0.00 175.22 177.52 1oz3 s ILE 257 N -2.94 4.08 0.07 0.64 -1.09 -1.26 -1.20 121.20 119.49 1oz3 s ILE 257 Ca 0.09 1.44 0.05 0.00 -2.23 0.00 0.00 60.65 60.00 1oz3 s ILE 257 Cb 0.00 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1oz3 s ILE 257 CO -0.01 0.02 -0.15 -0.76 -1.23 0.00 0.00 174.94 172.81 1oz3 s LEU 258 N 1.98 2.25 -0.02 2.97 1.43 -0.07 -2.25 118.68 124.98 1oz3 s LEU 258 Ca 0.58 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1oz3 s LEU 258 Cb -0.27 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 1oz3 s LEU 258 CO 0.25 -0.03 -0.20 -0.89 0.23 0.00 0.00 176.35 175.71 1oz3 s THR 259 N -1.13 1.60 -0.30 5.49 2.01 -0.44 -0.40 115.64 122.47 1oz3 s THR 259 Ca 0.00 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1oz3 s THR 259 Cb -0.09 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 1oz3 s THR 259 CO 0.02 0.45 1.53 -0.69 -0.69 0.00 0.00 174.62 175.25 1oz3 s VAL 260 N -0.42 3.80 -0.12 3.82 1.01 -1.26 -1.23 120.40 126.00 1oz3 s VAL 260 Ca 0.06 0.87 0.19 0.00 0.00 0.00 0.00 61.98 63.11 1oz3 s VAL 260 Cb -0.08 -3.91 -0.22 0.00 0.00 0.00 0.00 36.38 32.17 1oz3 s VAL 260 CO -0.00 -0.46 0.53 0.00 0.00 0.00 0.00 175.10 175.17 1oz3 n ALA 261 N 8.69 2.17 -3.53 5.51 0.00 0.47 -0.74 120.51 133.09 1oz3 n ALA 261 Ca 0.18 -0.71 -0.16 0.00 0.00 0.00 0.00 53.44 52.76 1oz3 n ALA 261 Cb 0.46 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 1oz3 n ALA 261 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1oz3 s GLU 262 N -3.05 0.96 -0.02 0.00 2.12 -1.17 -4.95 118.70 112.58 1oz3 s GLU 262 Ca -0.06 0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.47 1oz3 s GLU 262 Cb 0.10 0.45 -0.01 0.00 0.26 0.00 0.00 34.13 34.94 1oz3 s GLU 262 CO 0.85 -0.31 -0.13 0.08 -0.54 0.00 0.00 175.26 175.20 1oz3 s VAL 263 N -1.41 1.04 -0.25 3.70 1.01 -1.26 -0.69 120.40 122.53 1oz3 s VAL 263 Ca -0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1oz3 s VAL 263 Cb -0.00 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.60 1oz3 s VAL 263 CO 0.06 0.30 0.20 0.00 0.00 0.00 0.00 175.10 175.66 1oz3 n GLY 265 N 5.29 3.75 1.37 0.00 0.00 -1.25 -1.42 105.19 112.93 1oz3 n GLY 265 Ca -0.05 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1oz3 n GLY 265 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1oz3 n TYR 266 N 13.79 1.28 -4.38 1.61 9.36 -1.25 -4.64 117.16 132.92 1oz3 n TYR 266 Ca 0.00 -0.48 -0.25 0.00 3.32 0.00 0.00 57.90 60.49 1oz3 n TYR 266 Cb 0.00 -0.28 -0.09 0.00 -0.63 0.00 0.00 39.34 38.34 1oz3 n TYR 266 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1oz3 s ARG 267 N -1.97 1.89 -0.03 2.98 0.52 -0.51 -0.66 118.95 121.17 1oz3 s ARG 267 Ca 0.39 -1.54 -0.08 0.00 -0.52 0.00 0.00 55.73 53.98 1oz3 s ARG 267 Cb 0.27 -1.96 0.01 0.00 0.52 0.00 0.00 34.95 33.79 1oz3 s ARG 267 CO 0.16 0.37 0.19 -0.48 0.02 0.00 0.00 175.30 175.56 1oz3 s LEU 268 N -3.27 1.32 -0.19 2.53 2.34 -0.26 -1.44 118.68 119.71 1oz3 s LEU 268 Ca 0.28 0.06 -0.13 0.00 0.06 0.00 0.00 54.13 54.39 1oz3 s LEU 268 Cb -0.07 0.78 -0.05 0.00 -0.56 0.00 0.00 46.19 46.30 1oz3 s LEU 268 CO 0.15 -0.28 0.27 -0.60 -1.06 0.00 0.00 176.35 174.83 1oz3 s ARG 269 N -0.85 4.20 -0.05 1.48 3.52 0.13 -1.41 118.95 125.97 1oz3 s ARG 269 Ca -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1oz3 s ARG 269 Cb -0.05 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1oz3 s ARG 269 CO 0.02 0.15 0.00 -0.51 -0.81 0.00 0.00 175.30 174.15 1oz3 s LEU 270 N 0.76 3.56 -0.04 -0.88 1.43 0.10 -0.39 118.68 123.22 1oz3 s LEU 270 Ca 0.14 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1oz3 s LEU 270 Cb -0.13 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1oz3 s LEU 270 CO 0.04 0.34 -0.23 -2.28 0.23 0.00 0.00 176.35 174.44 1oz3 s HIS 271 N -0.97 2.43 -0.52 0.29 5.65 -0.36 -1.69 115.29 120.12 1oz3 s HIS 271 Ca 0.16 -0.46 -0.25 0.00 0.25 0.00 0.00 55.06 54.76 1oz3 s HIS 271 Cb -0.11 -1.55 0.03 0.00 -1.18 0.00 0.00 32.58 29.77 1oz3 s HIS 271 CO 0.06 -0.04 0.97 -0.06 -0.65 0.00 0.00 174.74 175.01 1oz3 s PHE 272 N -0.51 2.82 -0.05 3.88 0.40 -1.26 -1.32 117.98 121.93 1oz3 s PHE 272 Ca 0.07 0.19 -0.38 0.00 -0.60 0.00 0.00 56.93 56.22 1oz3 s PHE 272 Cb -0.11 -4.09 -0.16 0.00 0.51 0.00 0.00 43.02 39.17 1oz3 s PHE 272 CO 0.00 -1.29 1.54 -0.25 0.70 0.00 0.00 175.22 175.93 1oz3 n ASP 273 N 7.47 2.13 0.00 1.36 10.43 -0.95 -1.47 116.55 135.53 1oz3 n ASP 273 Ca 0.04 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.49 1oz3 n ASP 273 Cb 0.48 -1.20 0.00 0.00 1.84 0.00 0.00 41.12 42.24 1oz3 n ASP 273 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1oz3 n GLY 274 N 3.32 2.76 4.00 0.44 0.00 -1.26 -3.57 105.19 110.87 1oz3 n GLY 274 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1oz3 n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oz3 s TYR 275 N -2.12 2.44 0.45 1.61 1.51 -0.54 -4.53 117.35 116.16 1oz3 s TYR 275 Ca 0.00 -0.50 -0.24 0.00 -1.01 0.00 0.00 57.07 55.32 1oz3 s TYR 275 Cb 0.00 -2.31 -0.07 0.00 -0.11 0.00 0.00 41.96 39.47 1oz3 s TYR 275 CO 0.00 -0.57 1.23 0.45 -1.11 0.00 0.00 175.55 175.55 1oz3 s SER 276 N -4.40 6.11 0.48 2.29 0.15 -1.26 -4.80 113.70 112.27 1oz3 s SER 276 Ca 0.55 2.47 0.32 0.00 0.70 0.00 0.00 55.95 60.00 1oz3 s SER 276 Cb -0.08 -2.62 1.61 0.00 -1.71 0.00 0.00 66.02 63.22 1oz3 s SER 276 CO 0.34 -0.97 1.98 1.05 1.20 0.00 0.00 173.24 176.84 1oz3 h GLU 277 N 2.19 0.00 -0.00 5.44 9.09 -1.98 -2.57 114.58 126.75 1oz3 h GLU 277 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1oz3 h GLU 277 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1oz3 h GLU 277 CO 0.61 0.00 0.01 0.00 0.05 0.00 0.00 179.01 179.68 1oz3 n HIS 279 N -3.32 0.10 -1.69 0.00 8.25 -0.97 -4.97 115.22 112.61 1oz3 n HIS 279 Ca -0.03 -0.05 -0.37 0.00 -0.26 0.00 0.00 57.72 57.01 1oz3 n HIS 279 Cb 0.09 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.26 1oz3 n HIS 279 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1oz3 n ASP 280 N 0.31 1.69 -3.88 0.41 9.92 -0.84 -4.83 116.55 119.33 1oz3 n ASP 280 Ca 0.18 0.83 -0.09 0.00 -0.53 0.00 0.00 54.79 55.18 1oz3 n ASP 280 Cb 0.36 -1.50 -0.07 0.00 -0.64 0.00 0.00 41.12 39.26 1oz3 n ASP 280 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1oz3 s PHE 281 N -1.42 0.20 -0.08 1.24 -0.12 -0.68 -4.96 117.98 112.16 1oz3 s PHE 281 Ca 0.80 -0.63 -0.00 0.00 -0.05 0.00 0.00 56.93 57.04 1oz3 s PHE 281 Cb -0.39 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 41.88 1oz3 s PHE 281 CO 0.43 -0.55 -0.05 -1.58 -0.05 0.00 0.00 175.22 173.42 1oz3 s TRP 282 N -3.87 3.00 0.17 3.49 0.52 -1.26 0.01 118.94 121.00 1oz3 s TRP 282 Ca 0.06 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.25 1oz3 s TRP 282 Cb 0.05 -1.74 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 1oz3 s TRP 282 CO -0.10 0.35 0.02 0.14 0.02 0.00 0.00 176.95 177.38 1oz3 s VAL 283 N -0.78 0.56 0.54 4.03 -7.23 -0.50 -5.00 120.40 112.02 1oz3 s VAL 283 Ca 0.12 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.19 1oz3 s VAL 283 Cb -0.11 -2.13 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 1oz3 s VAL 283 CO 0.02 -0.45 0.96 0.20 -0.31 0.00 0.00 175.10 175.52 1oz3 s ASN 284 N -3.15 6.45 0.50 4.85 0.02 -1.26 -1.10 114.94 121.24 1oz3 s ASN 284 Ca 0.25 1.42 0.33 0.00 -1.02 0.00 0.00 52.86 53.84 1oz3 s ASN 284 Cb 0.06 -2.46 1.49 0.00 0.02 0.00 0.00 41.25 40.37 1oz3 s ASN 284 CO 0.04 -0.67 1.98 0.00 0.02 0.00 0.00 177.10 178.48 1oz3 h ALA 285 N 0.47 1.00 -0.47 0.60 0.00 -1.23 -0.70 119.26 118.93 1oz3 h ALA 285 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1oz3 h ALA 285 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1oz3 h ALA 285 CO 0.62 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.14 1oz3 n ASN 286 N -2.85 4.84 -4.76 0.00 6.94 -1.26 -4.78 115.26 113.38 1oz3 n ASN 286 Ca 0.00 -2.75 -0.41 0.00 -0.02 0.00 0.00 54.58 51.40 1oz3 n ASN 286 Cb 0.22 -0.65 -0.01 0.00 -2.36 0.00 0.00 39.78 36.98 1oz3 n ASN 286 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1oz3 s SER 287 N -0.63 6.38 0.00 0.53 0.15 -0.27 -4.84 113.70 115.02 1oz3 s SER 287 Ca 0.44 2.95 0.19 0.00 0.70 0.00 0.00 55.95 60.24 1oz3 s SER 287 Cb 0.34 -2.64 0.71 0.00 -1.71 0.00 0.00 66.02 62.72 1oz3 s SER 287 CO 0.13 -0.89 1.52 -0.81 1.20 0.00 0.00 173.24 174.39 1oz3 n PRO 288 N 1.84 1.70 -0.41 5.44 -0.04 -1.26 -4.11 135.00 138.17 1oz3 n PRO 288 Ca 0.07 -1.05 0.10 0.00 -0.04 0.00 0.00 63.50 62.57 1oz3 n PRO 288 Cb 0.38 -1.37 0.30 0.00 -0.04 0.00 0.00 33.50 32.77 1oz3 n PRO 288 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1oz3 n ASP 289 N 0.29 3.80 -4.25 3.54 8.00 -1.26 -4.79 116.55 121.87 1oz3 n ASP 289 Ca 0.15 -2.12 -0.17 0.00 0.71 0.00 0.00 54.79 53.35 1oz3 n ASP 289 Cb 0.31 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 1oz3 n ASP 289 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1oz3 s ILE 290 N -1.33 1.35 0.02 0.53 -4.36 -1.26 -1.83 121.20 114.33 1oz3 s ILE 290 Ca 0.45 -1.83 -0.15 0.00 -0.26 0.00 0.00 60.65 58.87 1oz3 s ILE 290 Cb 0.25 -1.64 0.02 0.00 1.25 0.00 0.00 42.46 42.34 1oz3 s ILE 290 CO 0.28 -0.49 0.32 -1.00 0.24 0.00 0.00 174.94 174.29 1oz3 s HIS 291 N -2.42 -0.14 0.60 1.37 3.76 0.76 -4.63 115.29 114.59 1oz3 s HIS 291 Ca 0.12 0.09 -0.18 0.00 -0.15 0.00 0.00 55.06 54.94 1oz3 s HIS 291 Cb -0.03 0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.73 1oz3 s HIS 291 CO 0.03 -0.47 1.13 -1.25 -0.85 0.00 0.00 174.74 173.33 1oz3 s PRO 292 N -2.14 3.09 0.06 8.40 0.04 -1.26 -0.91 135.00 142.29 1oz3 s PRO 292 Ca -0.08 1.54 -0.37 0.00 0.04 0.00 0.00 61.00 62.13 1oz3 s PRO 292 Cb -0.02 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.36 1oz3 s PRO 292 CO -0.01 -1.05 1.17 0.00 0.04 0.00 0.00 177.00 177.16 1oz3 n ALA 293 N -1.78 -2.17 0.00 8.56 0.00 -1.26 -1.67 120.51 122.18 1oz3 n ALA 293 Ca 0.11 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1oz3 n ALA 293 Cb 0.51 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1oz3 n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oz3 n GLY 294 N 2.01 3.06 0.28 0.00 0.00 -1.26 -4.96 105.19 104.31 1oz3 n GLY 294 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1oz3 n GLY 294 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1oz3 h TRP 295 N 0.00 0.97 -0.63 1.61 7.01 -1.68 -2.81 115.95 120.42 1oz3 h TRP 295 Ca 0.00 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 60.96 1oz3 h TRP 295 Cb 0.00 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 26.72 1oz3 h TRP 295 CO 0.00 0.78 0.36 0.27 -2.79 0.00 0.00 178.44 177.06 1oz3 h PHE 296 N 0.88 0.66 0.00 2.65 -0.00 -1.86 -2.22 116.94 117.05 1oz3 h PHE 296 Ca 0.21 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 58.10 1oz3 h PHE 296 Cb 0.24 -0.21 -0.01 0.00 -0.00 0.00 0.00 35.95 35.97 1oz3 h PHE 296 CO 0.02 0.34 -0.45 1.05 -0.00 0.00 0.00 178.31 179.26 1oz3 h GLU 297 N 0.68 0.00 -0.00 6.09 4.11 -1.71 -1.65 114.58 122.10 1oz3 h GLU 297 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1oz3 h GLU 297 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1oz3 h GLU 297 CO -0.15 0.45 -0.30 1.63 0.07 0.00 0.00 179.01 180.72 1oz3 n LYS 298 N -3.66 0.07 0.00 1.06 5.02 -0.89 -4.14 118.16 115.62 1oz3 n LYS 298 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1oz3 n LYS 298 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1oz3 n LYS 298 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1oz3 n THR 299 N -1.44 0.45 -1.70 -0.18 -2.24 -0.91 -5.04 114.28 103.23 1oz3 n THR 299 Ca 0.07 -0.46 -0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1oz3 n THR 299 Cb 0.33 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1oz3 n THR 299 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz3 n GLY 300 N -0.22 0.37 3.68 3.38 0.00 -0.98 -5.04 105.19 106.38 1oz3 n GLY 300 Ca 0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1oz3 n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oz3 s HIS 301 N -2.01 3.03 0.13 1.61 3.76 -0.66 -5.07 115.29 116.09 1oz3 s HIS 301 Ca 0.00 0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 1oz3 s HIS 301 Cb 0.00 -1.62 -0.07 0.00 1.11 0.00 0.00 32.58 32.00 1oz3 s HIS 301 CO 0.00 0.46 0.81 0.15 -0.85 0.00 0.00 174.74 175.31 1oz3 s LYS 302 N -1.80 4.59 -0.21 1.40 1.02 -1.26 -4.42 119.74 119.05 1oz3 s LYS 302 Ca 0.22 1.19 -0.11 0.00 0.02 0.00 0.00 55.97 57.29 1oz3 s LYS 302 Cb -0.12 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1oz3 s LYS 302 CO 0.13 0.44 0.16 -1.17 -0.92 0.00 0.00 175.35 173.99 1oz3 s LEU 303 N -0.70 4.17 -0.46 3.17 0.20 -1.26 -3.87 118.68 119.93 1oz3 s LEU 303 Ca 0.38 0.20 -0.23 0.00 0.69 0.00 0.00 54.13 55.18 1oz3 s LEU 303 Cb -0.23 -2.12 0.03 0.00 -0.43 0.00 0.00 46.19 43.44 1oz3 s LEU 303 CO 0.26 0.13 0.78 -1.10 -0.29 0.00 0.00 176.35 176.13 1oz3 s GLN 304 N 0.66 3.38 0.90 1.98 -1.52 0.23 -4.82 119.66 120.46 1oz3 s GLN 304 Ca 0.08 -0.16 -0.14 0.00 -1.95 0.00 0.00 55.36 53.19 1oz3 s GLN 304 Cb -0.12 -3.95 0.14 0.00 -0.22 0.00 0.00 33.01 28.86 1oz3 s GLN 304 CO 0.01 -1.14 1.23 -1.25 -0.25 0.00 0.00 175.29 173.89 1oz3 s PRO 305 N 3.28 1.19 0.57 2.91 0.04 -1.26 -4.19 135.00 137.54 1oz3 s PRO 305 Ca 0.29 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.06 1oz3 s PRO 305 Cb -0.12 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1oz3 s PRO 305 CO 0.22 -2.09 0.98 -2.30 0.04 0.00 0.00 177.00 173.85 1oz3 n PRO 306 N -3.62 1.00 -1.61 0.56 -0.02 -1.26 -4.82 135.00 125.22 1oz3 n PRO 306 Ca 0.11 0.38 -0.56 0.00 -2.02 0.00 0.00 63.50 61.41 1oz3 n PRO 306 Cb 0.60 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 1oz3 n PRO 306 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1oz3 n LYS 307 N -0.83 0.85 0.00 -0.52 4.81 -1.23 -1.25 118.16 119.98 1oz3 n LYS 307 Ca 0.13 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1oz3 n LYS 307 Cb 0.46 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1oz3 n LYS 307 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1oz3 n GLY 308 N 2.81 2.38 3.86 3.14 0.00 -1.26 -4.92 105.19 111.20 1oz3 n GLY 308 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1oz3 n GLY 308 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oz3 s TYR 309 N -2.26 3.52 0.20 1.61 1.51 -0.38 -5.11 117.35 116.43 1oz3 s TYR 309 Ca 0.00 1.33 -0.16 0.00 -1.01 0.00 0.00 57.07 57.23 1oz3 s TYR 309 Cb 0.00 -2.70 -0.08 0.00 -0.11 0.00 0.00 41.96 39.07 1oz3 s TYR 309 CO 0.00 -0.44 0.64 0.15 -1.11 0.00 0.00 175.55 174.78 1oz3 s LYS 310 N -4.46 4.08 0.19 -0.62 -0.14 -1.26 -4.81 119.74 112.71 1oz3 s LYS 310 Ca 0.56 0.64 -0.20 0.00 -1.36 0.00 0.00 55.97 55.61 1oz3 s LYS 310 Cb -0.10 -2.84 0.14 0.00 -1.68 0.00 0.00 37.83 33.34 1oz3 s LYS 310 CO 0.40 0.40 1.59 1.49 -0.76 0.00 0.00 175.35 178.47 1oz3 h GLU 311 N 3.30 -0.14 0.00 1.68 4.81 -1.97 -0.66 114.58 121.61 1oz3 h GLU 311 Ca -0.48 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1oz3 h GLU 311 Cb 1.19 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1oz3 h GLU 311 CO 0.66 -0.10 -0.16 1.49 -0.73 0.00 0.00 179.01 180.17 1oz3 h GLU 312 N -0.15 0.00 -0.10 1.92 4.81 -1.96 -2.66 114.58 116.45 1oz3 h GLU 312 Ca 0.24 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1oz3 h GLU 312 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1oz3 h GLU 312 CO -0.68 0.16 -0.36 1.49 -0.73 0.00 0.00 179.01 178.89 1oz3 h GLU 313 N 0.00 0.20 -6.46 1.92 4.81 -1.53 -3.45 114.58 110.08 1oz3 h GLU 313 Ca -0.00 -0.08 -0.54 0.00 -0.13 0.00 0.00 59.36 58.61 1oz3 h GLU 313 Cb 0.33 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1oz3 h GLU 313 CO 0.02 0.54 0.44 0.12 -0.73 0.00 0.00 179.01 179.40 1oz3 s PHE 314 N -4.24 3.59 -0.03 0.92 5.36 -1.00 -4.94 117.98 117.64 1oz3 s PHE 314 Ca -0.04 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.50 1oz3 s PHE 314 Cb 0.14 -3.23 0.02 0.00 -0.34 0.00 0.00 43.02 39.61 1oz3 s PHE 314 CO 0.76 -0.46 -0.03 -1.54 -1.46 0.00 0.00 175.22 172.49 1oz3 s SER 315 N 0.90 0.64 0.18 6.13 1.04 -1.26 -5.04 113.70 116.28 1oz3 s SER 315 Ca 0.54 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.75 1oz3 s SER 315 Cb -0.24 -0.26 0.12 0.00 0.10 0.00 0.00 66.02 65.73 1oz3 s SER 315 CO 0.29 -0.04 1.80 -0.50 0.98 0.00 0.00 173.24 175.77 1oz3 h TRP 316 N 6.87 0.51 -0.25 5.02 4.06 -1.98 0.23 115.95 130.41 1oz3 h TRP 316 Ca -0.37 0.02 0.05 0.00 2.06 0.00 0.00 58.89 60.65 1oz3 h TRP 316 Cb 1.16 -0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 29.11 1oz3 h TRP 316 CO 0.48 0.27 -0.08 0.66 -3.56 0.00 0.00 178.44 176.21 1oz3 h SER 317 N 0.54 -0.27 -0.65 -3.49 4.64 -1.99 0.03 113.55 112.37 1oz3 h SER 317 Ca 0.21 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 1oz3 h SER 317 Cb 0.08 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1oz3 h SER 317 CO -0.13 -0.10 0.31 -0.61 -0.87 0.00 0.00 176.83 175.44 1oz3 h GLN 318 N -0.02 0.93 -0.46 4.77 5.75 -1.90 -2.12 115.11 122.05 1oz3 h GLN 318 Ca 0.12 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 1oz3 h GLN 318 Cb 0.21 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1oz3 h GLN 318 CO -0.27 0.74 -0.07 -0.92 -2.65 0.00 0.00 178.83 175.66 1oz3 h TYR 319 N 0.89 0.94 -0.21 3.99 3.20 -0.48 -0.16 116.97 125.14 1oz3 h TYR 319 Ca 0.22 -0.19 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1oz3 h TYR 319 Cb 0.11 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1oz3 h TYR 319 CO 0.00 0.93 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.16 1oz3 h LEU 320 N 0.69 0.37 -0.46 2.82 3.38 -0.89 -0.82 115.31 120.40 1oz3 h LEU 320 Ca 0.12 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1oz3 h LEU 320 Cb 0.59 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1oz3 h LEU 320 CO 0.04 0.60 -0.22 -0.09 0.09 0.00 0.00 178.44 178.86 1oz3 h ARG 321 N 0.34 0.96 -0.37 1.13 2.43 -1.10 0.01 114.38 117.79 1oz3 h ARG 321 Ca 0.06 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.74 1oz3 h ARG 321 Cb 0.58 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1oz3 h ARG 321 CO 0.04 1.09 -0.04 0.77 -1.51 0.00 0.00 179.97 180.32 1oz3 h SER 322 N 0.81 0.67 0.68 -3.80 0.02 -0.52 -3.19 113.55 108.23 1oz3 h SER 322 Ca 0.10 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1oz3 h SER 322 Cb 0.80 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1oz3 h SER 322 CO 0.07 0.85 -0.56 0.35 -1.14 0.00 0.00 176.83 176.40 1oz3 n THR 323 N -4.44 0.16 -3.93 -2.27 -2.24 -0.36 -4.96 114.28 96.25 1oz3 n THR 323 Ca -0.02 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 1oz3 n THR 323 Cb 0.31 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1oz3 n THR 323 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1oz3 n ARG 324 N -1.79 -3.74 -3.43 -0.78 5.12 -0.03 -4.97 116.66 107.03 1oz3 n ARG 324 Ca 0.04 0.44 -0.19 0.00 -1.93 0.00 0.00 57.85 56.21 1oz3 n ARG 324 Cb 0.39 -5.21 -0.02 0.00 -1.16 0.00 0.00 32.46 26.46 1oz3 n ARG 324 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1oz3 s ALA 325 N -3.18 4.19 -0.14 7.54 0.00 -1.08 -5.05 121.76 124.04 1oz3 s ALA 325 Ca 0.64 -1.70 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 1oz3 s ALA 325 Cb -0.34 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1oz3 s ALA 325 CO 0.79 -0.16 0.02 -1.14 0.00 0.00 0.00 175.76 175.27 1oz3 s GLN 326 N -4.18 3.59 0.18 0.00 0.74 -1.26 -4.84 119.66 113.90 1oz3 s GLN 326 Ca 0.48 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 55.18 1oz3 s GLN 326 Cb -0.07 -3.01 -0.08 0.00 1.10 0.00 0.00 33.01 30.95 1oz3 s GLN 326 CO 0.30 0.41 1.28 0.00 -0.55 0.00 0.00 175.29 176.72 1oz3 s ALA 327 N -0.04 3.50 0.12 1.58 0.00 -1.26 -1.64 121.76 124.01 1oz3 s ALA 327 Ca 0.04 1.05 -0.35 0.00 0.00 0.00 0.00 51.96 52.70 1oz3 s ALA 327 Cb -0.13 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.37 1oz3 s ALA 327 CO 0.02 -0.49 1.33 0.00 0.00 0.00 0.00 175.76 176.61 1oz3 n ALA 328 N 2.75 -0.61 -1.76 0.00 0.00 -0.03 -4.79 120.51 116.07 1oz3 n ALA 328 Ca 0.06 0.49 -0.38 0.00 0.00 0.00 0.00 53.44 53.62 1oz3 n ALA 328 Cb 0.43 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.80 1oz3 n ALA 328 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1oz3 s PRO 329 N 0.31 3.44 0.32 0.00 0.02 -1.26 -4.64 135.00 133.18 1oz3 s PRO 329 Ca 0.81 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.95 1oz3 s PRO 329 Cb -0.89 -2.35 0.73 0.00 0.02 0.00 0.00 34.50 32.00 1oz3 s PRO 329 CO 0.47 -0.90 1.82 0.87 -0.33 0.00 0.00 177.00 178.93 1oz3 h LYS 330 N 1.78 0.77 0.00 5.54 1.57 -1.98 -2.73 116.57 121.52 1oz3 h LYS 330 Ca -0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1oz3 h LYS 330 Cb 1.28 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1oz3 h LYS 330 CO 0.59 0.51 0.00 -2.39 -0.57 0.00 0.00 179.45 177.59 1oz3 n HIS 331 N -4.66 0.72 0.23 -1.35 1.44 -1.26 -1.54 115.22 108.81 1oz3 n HIS 331 Ca 0.21 0.34 0.11 0.00 -2.01 0.00 0.00 57.72 56.36 1oz3 n HIS 331 Cb 0.50 -1.04 0.51 0.00 0.12 0.00 0.00 29.99 30.08 1oz3 n HIS 331 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1oz3 h LEU 332 N 0.00 0.00 -9.06 2.39 3.38 -1.87 -3.45 115.31 106.70 1oz3 h LEU 332 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1oz3 h LEU 332 Cb 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.75 1oz3 h LEU 332 CO 0.00 0.19 -0.34 -0.36 0.09 0.00 0.00 178.44 178.01 1oz3 s PHE 333 N -3.69 3.31 0.29 1.13 0.40 -0.59 -4.88 117.98 113.97 1oz3 s PHE 333 Ca 0.00 0.39 0.11 0.00 -0.60 0.00 0.00 56.93 56.83 1oz3 s PHE 333 Cb 0.10 -2.43 0.44 0.00 0.51 0.00 0.00 43.02 41.64 1oz3 s PHE 333 CO 0.62 -0.04 1.66 -0.39 0.70 0.00 0.00 175.22 177.77 1oz3 h VAL 334 N 5.12 1.40 -3.72 -0.44 -1.51 -1.87 -3.41 116.25 111.82 1oz3 h VAL 334 Ca -0.36 -1.90 -0.68 0.00 -1.23 0.00 0.00 66.70 62.53 1oz3 h VAL 334 Cb 1.17 2.02 -0.32 0.00 -2.13 0.00 0.00 31.29 32.03 1oz3 h VAL 334 CO 0.67 0.54 -0.69 -0.55 -1.23 0.00 0.00 177.57 176.31 1oz3 s SER 335 N -6.87 4.87 -0.07 4.19 0.15 -1.26 -4.93 113.70 109.78 1oz3 s SER 335 Ca -0.02 -1.18 0.10 0.00 0.70 0.00 0.00 55.95 55.55 1oz3 s SER 335 Cb 0.13 -1.73 0.16 0.00 -1.71 0.00 0.00 66.02 62.87 1oz3 s SER 335 CO 0.76 -0.25 1.05 0.00 1.20 0.00 0.00 173.24 176.00 1oz3 n GLN 336 N 4.66 1.35 -3.43 5.44 6.02 -1.26 -4.62 117.38 125.55 1oz3 n GLN 336 Ca -0.14 -1.93 -0.23 0.00 -0.01 0.00 0.00 57.00 54.70 1oz3 n GLN 336 Cb 0.44 -1.15 0.07 0.00 1.02 0.00 0.00 30.24 30.62 1oz3 n GLN 336 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1oz3 n SER 337 N -0.89 -6.20 -0.00 1.08 7.64 -1.26 -4.92 113.62 109.07 1oz3 n SER 337 Ca 0.09 -0.46 0.05 0.00 1.01 0.00 0.00 58.87 59.55 1oz3 n SER 337 Cb 0.55 -4.87 -0.06 0.00 -1.01 0.00 0.00 64.21 58.83 1oz3 n SER 337 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1oz3 n HIS 338 N -4.83 0.00 -3.59 1.43 -0.00 -1.26 -4.86 115.22 102.11 1oz3 n HIS 338 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.49 1oz3 n HIS 338 Cb 0.57 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 30.52 1oz3 n HIS 338 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1oz3 s SER 339 N -2.06 6.18 0.43 0.41 1.04 -1.26 -5.05 113.70 113.39 1oz3 s SER 339 Ca 0.03 0.14 -0.25 0.00 0.48 0.00 0.00 55.95 56.35 1oz3 s SER 339 Cb 0.07 -1.74 -0.08 0.00 0.10 0.00 0.00 66.02 64.37 1oz3 s SER 339 CO 0.39 -0.28 1.34 -2.16 0.98 0.00 0.00 173.24 173.51 1oz3 s PRO 340 N -4.18 3.82 0.79 4.02 0.04 -1.26 -4.54 135.00 133.69 1oz3 s PRO 340 Ca 0.40 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.54 1oz3 s PRO 340 Cb -0.09 -2.68 0.07 0.00 0.04 0.00 0.00 34.50 31.84 1oz3 s PRO 340 CO 0.32 -0.64 1.15 -1.25 0.04 0.00 0.00 177.00 176.62 1oz3 s PRO 341 N -2.37 2.10 -0.02 0.56 0.04 -1.26 -4.09 135.00 129.96 1oz3 s PRO 341 Ca 0.59 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 1oz3 s PRO 341 Cb -0.39 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1oz3 s PRO 341 CO 0.50 -1.53 1.48 -1.25 0.04 0.00 0.00 177.00 176.25 1oz3 s PRO 342 N -5.45 4.24 0.14 0.56 0.04 -1.25 -4.91 135.00 128.37 1oz3 s PRO 342 Ca 0.61 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.37 1oz3 s PRO 342 Cb -0.12 -3.70 -0.12 0.00 0.04 0.00 0.00 34.50 30.60 1oz3 s PRO 342 CO 0.51 -0.68 1.78 1.28 0.04 0.00 0.00 177.00 179.92 1oz3 n LEU 343 N 5.99 3.87 0.00 -3.56 4.77 -1.26 -2.70 117.00 124.11 1oz3 n LEU 343 Ca 0.15 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1oz3 n LEU 343 Cb 0.43 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1oz3 n LEU 343 CO 0.60 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1oz3 n GLY 344 N 4.07 2.26 3.32 -0.72 0.00 -1.26 -4.77 105.19 108.09 1oz3 n GLY 344 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1oz3 n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oz3 s PHE 345 N -2.33 3.40 0.04 1.61 0.40 -1.10 -4.45 117.98 115.56 1oz3 s PHE 345 Ca 0.00 -1.51 -0.07 0.00 -0.60 0.00 0.00 56.93 54.75 1oz3 s PHE 345 Cb 0.00 -3.82 -0.05 0.00 0.51 0.00 0.00 43.02 39.66 1oz3 s PHE 345 CO 0.00 -1.03 0.31 -0.65 0.70 0.00 0.00 175.22 174.55 1oz3 s GLN 346 N 1.20 3.63 0.05 0.44 -1.52 -1.26 -4.79 119.66 117.40 1oz3 s GLN 346 Ca 0.09 -0.01 -0.37 0.00 -1.95 0.00 0.00 55.36 53.12 1oz3 s GLN 346 Cb -0.23 -3.04 -0.16 0.00 -0.22 0.00 0.00 33.01 29.36 1oz3 s GLN 346 CO -0.01 0.61 1.44 0.28 -0.25 0.00 0.00 175.29 177.36 1oz3 n VAL 347 N 0.95 0.06 0.00 1.09 0.31 -1.26 -4.67 118.33 114.80 1oz3 n VAL 347 Ca -0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1oz3 n VAL 347 Cb 0.52 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1oz3 n VAL 347 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1oz3 n GLY 348 N 2.93 0.60 3.32 2.92 0.00 0.06 -5.02 105.19 110.01 1oz3 n GLY 348 Ca 0.19 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1oz3 n GLY 348 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz3 s LYS 350 N 0.62 1.06 0.28 1.61 1.02 -0.34 -4.50 119.74 119.49 1oz3 s LYS 350 Ca 0.00 -0.64 -0.19 0.00 0.02 0.00 0.00 55.97 55.16 1oz3 s LYS 350 Cb 0.00 0.47 0.07 0.00 -0.52 0.00 0.00 37.83 37.85 1oz3 s LYS 350 CO 0.00 -0.41 0.93 -0.48 -0.92 0.00 0.00 175.35 174.47 1oz3 s LEU 351 N -2.69 0.02 -0.11 3.17 2.34 -0.12 -1.10 118.68 120.19 1oz3 s LEU 351 Ca 0.02 -0.90 -0.00 0.00 0.06 0.00 0.00 54.13 53.30 1oz3 s LEU 351 Cb 0.01 2.43 -0.02 0.00 -0.56 0.00 0.00 46.19 48.05 1oz3 s LEU 351 CO -0.11 -1.31 -0.09 -1.61 -1.06 0.00 0.00 176.35 172.17 1oz3 s GLU 352 N -2.16 3.21 0.01 1.48 2.02 -0.16 -1.38 118.70 121.72 1oz3 s GLU 352 Ca 0.19 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 1oz3 s GLU 352 Cb -0.04 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 1oz3 s GLU 352 CO 0.08 0.38 0.01 0.00 0.02 0.00 0.00 175.26 175.75 1oz3 s ALA 353 N -0.05 0.00 0.12 5.21 0.00 -0.39 -0.49 121.76 126.16 1oz3 s ALA 353 Ca -0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 1oz3 s ALA 353 Cb -0.14 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 1oz3 s ALA 353 CO 0.03 -0.11 1.11 0.08 0.00 0.00 0.00 175.76 176.87 1oz3 s VAL 354 N -0.92 4.07 -0.68 0.00 1.01 0.23 -0.80 120.40 123.30 1oz3 s VAL 354 Ca -0.10 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 1oz3 s VAL 354 Cb -0.06 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1oz3 s VAL 354 CO -0.00 0.22 1.26 -0.62 0.00 0.00 0.00 175.10 175.96 1oz3 s ASP 355 N 0.36 6.25 0.00 3.32 -1.08 -0.76 -4.97 116.67 119.79 1oz3 s ASP 355 Ca 0.52 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 52.32 1oz3 s ASP 355 Cb -0.28 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.62 1oz3 s ASP 355 CO 0.32 -1.72 0.34 0.54 0.52 0.00 0.00 175.17 175.17 1oz3 n ARG 356 N 9.04 0.20 -0.71 4.34 1.74 -1.26 -1.25 116.66 128.75 1oz3 n ARG 356 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1oz3 n ARG 356 Cb 0.49 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1oz3 n ARG 356 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1oz3 n ASN 358 N 1.59 -0.96 0.00 0.55 4.13 -1.26 -5.04 115.26 114.28 1oz3 n ASN 358 Ca 0.00 -0.58 0.05 0.00 1.68 0.00 0.00 54.58 55.74 1oz3 n ASN 358 Cb 0.10 -0.15 0.27 0.00 -1.54 0.00 0.00 39.78 38.46 1oz3 n ASN 358 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1oz3 n PRO 359 N 2.73 0.14 0.02 3.52 -0.04 -0.38 -1.20 135.00 139.79 1oz3 n PRO 359 Ca 0.00 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1oz3 n PRO 359 Cb 0.24 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.65 1oz3 n PRO 359 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1oz3 n SER 360 N -1.30 0.11 -4.68 3.54 3.41 -1.26 -4.78 113.62 108.66 1oz3 n SER 360 Ca 0.05 0.52 -0.35 0.00 -0.26 0.00 0.00 58.87 58.83 1oz3 n SER 360 Cb 0.09 -0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 63.40 1oz3 n SER 360 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oz3 s LEU 361 N -3.23 3.90 -0.11 1.04 1.43 -0.34 -5.05 118.68 116.33 1oz3 s LEU 361 Ca 0.10 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1oz3 s LEU 361 Cb 0.13 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1oz3 s LEU 361 CO 0.40 0.23 -0.17 -0.69 0.23 0.00 0.00 176.35 176.34 1oz3 s VAL 362 N 0.05 2.68 0.05 -1.59 1.01 -1.26 -1.82 120.40 119.51 1oz3 s VAL 362 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1oz3 s VAL 362 Cb -0.12 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1oz3 s VAL 362 CO 0.01 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.60 1oz3 s VAL 364 N -2.64 3.30 0.20 0.00 1.01 -0.47 -1.26 120.40 120.54 1oz3 s VAL 364 Ca -0.01 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 1oz3 s VAL 364 Cb -0.01 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1oz3 s VAL 364 CO -0.04 0.07 0.37 0.00 0.00 0.00 0.00 175.10 175.50 1oz3 s ALA 365 N 1.10 -0.08 0.03 5.51 0.00 -0.48 -3.08 121.76 124.76 1oz3 s ALA 365 Ca 0.65 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1oz3 s ALA 365 Cb -0.37 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1oz3 s ALA 365 CO 0.30 -0.74 -0.04 -1.12 0.00 0.00 0.00 175.76 174.16 1oz3 s SER 366 N -2.99 0.43 -0.31 0.00 0.01 0.09 -0.94 113.70 109.98 1oz3 s SER 366 Ca 0.20 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.70 1oz3 s SER 366 Cb 0.02 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.33 1oz3 s SER 366 CO 0.04 -0.24 1.07 -0.69 0.41 0.00 0.00 173.24 173.82 1oz3 s VAL 367 N -1.32 4.53 -0.49 3.43 1.01 -1.26 -0.86 120.40 125.44 1oz3 s VAL 367 Ca -0.13 1.77 0.07 0.00 0.00 0.00 0.00 61.98 63.69 1oz3 s VAL 367 Cb -0.09 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1oz3 s VAL 367 CO -0.00 -0.44 0.41 0.35 0.00 0.00 0.00 175.10 175.41 1oz3 n THR 368 N 5.80 0.00 -3.72 3.92 -2.24 -0.77 -0.76 114.28 116.51 1oz3 n THR 368 Ca 0.12 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 1oz3 n THR 368 Cb 0.47 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 1oz3 n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oz3 s ASP 369 N -1.40 -0.29 -0.04 3.42 -1.08 -1.25 -4.93 116.67 111.10 1oz3 s ASP 369 Ca 0.04 0.27 -0.01 0.00 -0.52 0.00 0.00 52.55 52.33 1oz3 s ASP 369 Cb 0.06 0.41 0.03 0.00 -1.46 0.00 0.00 42.92 41.95 1oz3 s ASP 369 CO 0.24 -0.43 0.04 -0.69 0.52 0.00 0.00 175.17 174.85 1oz3 s VAL 370 N -1.12 -0.04 -0.11 1.11 1.01 -1.26 -1.23 120.40 118.77 1oz3 s VAL 370 Ca -0.12 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1oz3 s VAL 370 Cb -0.04 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.21 1oz3 s VAL 370 CO 0.05 0.17 0.09 -0.69 0.00 0.00 0.00 175.10 174.71 1oz3 s VAL 371 N 1.87 -0.12 0.00 2.92 1.01 -0.73 -5.02 120.40 120.32 1oz3 s VAL 371 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1oz3 s VAL 371 Cb -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1oz3 s VAL 371 CO -0.03 -0.04 0.00 0.47 0.00 0.00 0.00 175.10 175.50 1oz3 n ASP 372 N 5.29 0.00 -0.47 3.32 8.00 -1.26 -1.66 116.55 129.78 1oz3 n ASP 372 Ca -0.05 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.55 1oz3 n ASP 372 Cb 0.50 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.96 1oz3 n ASP 372 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1oz3 n SER 373 N 4.61 1.39 -4.54 -2.24 3.41 -1.26 -3.90 113.62 111.09 1oz3 n SER 373 Ca 0.00 -1.70 -0.25 0.00 -0.26 0.00 0.00 58.87 56.65 1oz3 n SER 373 Cb 0.00 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 1oz3 n SER 373 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1oz3 s ARG 374 N -1.80 1.83 0.07 4.33 0.52 -0.66 -4.28 118.95 118.96 1oz3 s ARG 374 Ca 0.30 -1.88 0.01 0.00 -0.52 0.00 0.00 55.73 53.64 1oz3 s ARG 374 Cb 0.16 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 1oz3 s ARG 374 CO 0.24 0.17 -0.06 -0.59 0.02 0.00 0.00 175.30 175.09 1oz3 s PHE 375 N -2.58 0.70 -0.21 -0.53 -0.12 0.27 -1.78 117.98 113.73 1oz3 s PHE 375 Ca 0.32 -0.84 -0.10 0.00 -0.05 0.00 0.00 56.93 56.26 1oz3 s PHE 375 Cb 0.01 -0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 1oz3 s PHE 375 CO 0.17 -0.20 0.14 -1.17 -0.05 0.00 0.00 175.22 174.11 1oz3 s LEU 376 N -2.60 4.17 -0.21 -1.99 2.96 -0.36 -0.21 118.68 120.44 1oz3 s LEU 376 Ca 0.04 0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 54.02 1oz3 s LEU 376 Cb 0.02 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1oz3 s LEU 376 CO -0.05 0.14 0.21 -0.69 -1.32 0.00 0.00 176.35 174.64 1oz3 s VAL 377 N 0.59 5.34 -0.02 1.68 1.01 0.27 -1.85 120.40 127.44 1oz3 s VAL 377 Ca 0.08 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1oz3 s VAL 377 Cb -0.12 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1oz3 s VAL 377 CO 0.00 0.37 -0.22 -2.28 0.00 0.00 0.00 175.10 172.97 1oz3 s HIS 378 N 0.74 2.00 -0.32 5.22 2.46 -0.04 -1.87 115.29 123.48 1oz3 s HIS 378 Ca 0.11 -0.38 -0.17 0.00 0.47 0.00 0.00 55.06 55.10 1oz3 s HIS 378 Cb -0.13 -1.28 -0.02 0.00 -0.13 0.00 0.00 32.58 31.02 1oz3 s HIS 378 CO 0.03 -0.03 0.45 -0.06 -2.47 0.00 0.00 174.74 172.66 1oz3 s PHE 379 N -0.53 3.21 -0.14 3.88 0.40 -1.26 -0.74 117.98 122.80 1oz3 s PHE 379 Ca 0.09 0.26 -0.37 0.00 -0.60 0.00 0.00 56.93 56.30 1oz3 s PHE 379 Cb -0.09 -2.77 -0.14 0.00 0.51 0.00 0.00 43.02 40.54 1oz3 s PHE 379 CO -0.01 -0.41 1.78 -0.25 0.70 0.00 0.00 175.22 177.03 1oz3 n ASP 380 N 5.55 2.90 -1.52 1.36 10.43 -1.18 -0.88 116.55 133.21 1oz3 n ASP 380 Ca -0.06 1.03 -0.19 0.00 2.57 0.00 0.00 54.79 58.13 1oz3 n ASP 380 Cb 0.49 -1.27 -0.08 0.00 1.84 0.00 0.00 41.12 42.11 1oz3 n ASP 380 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1oz3 n ASN 381 N 5.70 -5.33 -4.88 -2.24 5.15 -1.26 -2.90 115.26 109.51 1oz3 n ASN 381 Ca 0.24 0.45 -0.21 0.00 -0.60 0.00 0.00 54.58 54.45 1oz3 n ASN 381 Cb 0.22 -4.51 -0.03 0.00 -0.53 0.00 0.00 39.78 34.93 1oz3 n ASN 381 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1oz3 s TRP 382 N -2.73 3.04 0.25 1.20 0.51 -0.06 -4.55 118.94 116.60 1oz3 s TRP 382 Ca 0.00 -0.21 -0.29 0.00 -2.12 0.00 0.00 56.10 53.47 1oz3 s TRP 382 Cb 0.00 -1.71 -0.15 0.00 -0.81 0.00 0.00 33.47 30.80 1oz3 s TRP 382 CO 0.00 0.26 1.06 -3.47 -0.51 0.00 0.00 176.95 174.28 1oz3 n ASP 383 N -1.37 1.31 0.00 2.95 -0.08 -1.26 -4.82 116.55 113.27 1oz3 n ASP 383 Ca -0.04 1.17 0.05 0.00 -1.51 0.00 0.00 54.79 54.46 1oz3 n ASP 383 Cb 0.59 -1.27 0.27 0.00 2.34 0.00 0.00 41.12 43.05 1oz3 n ASP 383 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1oz3 n ASP 384 N 1.51 0.00 0.25 1.67 5.75 -1.26 -2.63 116.55 121.84 1oz3 n ASP 384 Ca 0.11 0.18 0.17 0.00 -0.01 0.00 0.00 54.79 55.24 1oz3 n ASP 384 Cb 0.30 -0.31 0.83 0.00 -1.03 0.00 0.00 41.12 40.91 1oz3 n ASP 384 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oz3 h THR 385 N 0.00 0.00 -0.00 2.12 1.03 -1.88 -1.93 112.91 112.25 1oz3 h THR 385 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1oz3 h THR 385 Cb 0.12 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1oz3 h THR 385 CO 0.00 0.00 -0.32 -1.22 -0.01 0.00 0.00 175.52 173.97 1oz3 n TYR 386 N -2.76 0.00 -1.93 0.00 4.02 -1.08 -4.85 117.16 110.55 1oz3 n TYR 386 Ca -0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.51 1oz3 n TYR 386 Cb 0.14 -0.26 0.04 0.00 -0.02 0.00 0.00 39.34 39.25 1oz3 n TYR 386 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1oz3 s ASP 387 N -2.84 5.15 0.01 7.72 1.11 -0.72 -4.84 116.67 122.26 1oz3 s ASP 387 Ca 0.16 2.50 -0.14 0.00 0.18 0.00 0.00 52.55 55.26 1oz3 s ASP 387 Cb 0.18 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.58 1oz3 s ASP 387 CO 0.61 -1.63 0.29 -0.72 1.18 0.00 0.00 175.17 174.90 1oz3 s TYR 388 N -1.49 -0.12 0.11 4.23 -0.85 -0.78 -4.72 117.35 113.73 1oz3 s TYR 388 Ca 0.77 0.09 -0.25 0.00 -0.52 0.00 0.00 57.07 57.15 1oz3 s TYR 388 Cb -0.34 0.08 -0.07 0.00 0.38 0.00 0.00 41.96 42.01 1oz3 s TYR 388 CO 0.37 -0.44 0.77 -1.58 -1.52 0.00 0.00 175.55 173.16 1oz3 s TRP 389 N -1.93 3.84 0.30 -3.49 0.52 -1.26 -0.56 118.94 116.35 1oz3 s TRP 389 Ca -0.09 1.57 -0.01 0.00 0.02 0.00 0.00 56.10 57.58 1oz3 s TRP 389 Cb -0.03 -2.79 0.00 0.00 -1.15 0.00 0.00 33.47 29.50 1oz3 s TRP 389 CO 0.00 0.41 0.40 0.00 0.02 0.00 0.00 176.95 177.79 1oz3 s ASP 391 N -2.87 3.66 0.63 0.00 3.84 -1.26 -0.57 116.67 120.10 1oz3 s ASP 391 Ca 0.26 -1.43 0.32 0.00 -0.00 0.00 0.00 52.55 51.70 1oz3 s ASP 391 Cb -0.01 -0.15 1.79 0.00 -1.38 0.00 0.00 42.92 43.17 1oz3 s ASP 391 CO 0.18 -0.57 2.07 -0.65 -0.00 0.00 0.00 175.17 176.21 1oz3 h PRO 392 N 1.75 0.00 -0.13 2.11 0.11 -1.87 -2.02 132.00 131.94 1oz3 h PRO 392 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1oz3 h PRO 392 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1oz3 h PRO 392 CO 0.77 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 1oz3 n SER 393 N -3.32 1.87 -4.70 -2.05 3.41 -1.26 -1.74 113.62 105.82 1oz3 n SER 393 Ca 0.00 -1.69 -0.43 0.00 -0.26 0.00 0.00 58.87 56.49 1oz3 n SER 393 Cb 0.33 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1oz3 n SER 393 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1oz3 n SER 394 N 0.46 3.22 -0.01 4.04 2.88 -0.76 -3.50 113.62 119.95 1oz3 n SER 394 Ca 0.17 1.14 0.15 0.00 -1.33 0.00 0.00 58.87 59.00 1oz3 n SER 394 Cb 0.38 -1.50 0.78 0.00 -0.75 0.00 0.00 64.21 63.13 1oz3 n SER 394 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1oz3 n PRO 395 N 2.13 0.55 0.00 -1.46 -0.04 -1.26 -3.35 135.00 131.58 1oz3 n PRO 395 Ca 0.10 -0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1oz3 n PRO 395 Cb 0.34 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.71 1oz3 n PRO 395 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1oz3 n TYR 396 N -1.21 0.00 -4.35 0.54 4.02 -1.26 -4.94 117.16 109.96 1oz3 n TYR 396 Ca 0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.80 1oz3 n TYR 396 Cb 0.22 -0.05 -0.12 0.00 -0.02 0.00 0.00 39.34 39.37 1oz3 n TYR 396 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1oz3 s ILE 397 N -2.21 2.02 0.03 -0.72 -4.36 -1.21 -0.60 121.20 114.14 1oz3 s ILE 397 Ca 0.31 -1.80 -0.08 0.00 -0.26 0.00 0.00 60.65 58.82 1oz3 s ILE 397 Cb 0.20 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 42.05 1oz3 s ILE 397 CO 0.41 -0.10 0.16 -1.00 0.24 0.00 0.00 174.94 174.65 1oz3 s HIS 398 N -1.47 0.08 0.73 1.37 3.76 0.36 -4.96 115.29 115.15 1oz3 s HIS 398 Ca 0.14 -0.28 -0.13 0.00 -0.15 0.00 0.00 55.06 54.64 1oz3 s HIS 398 Cb -0.08 -0.06 0.04 0.00 1.11 0.00 0.00 32.58 33.58 1oz3 s HIS 398 CO 0.07 -0.38 1.13 -1.25 -0.85 0.00 0.00 174.74 173.46 1oz3 s PRO 399 N -2.25 2.34 0.14 8.40 0.04 -1.26 -0.99 135.00 141.42 1oz3 s PRO 399 Ca -0.08 1.43 -0.34 0.00 0.04 0.00 0.00 61.00 62.05 1oz3 s PRO 399 Cb -0.03 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 1oz3 s PRO 399 CO -0.02 -1.62 1.26 0.28 0.04 0.00 0.00 177.00 176.94 1oz3 n VAL 400 N -2.94 0.48 -0.04 -0.36 0.31 -1.26 -1.94 118.33 112.59 1oz3 n VAL 400 Ca 0.11 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1oz3 n VAL 400 Cb 0.52 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1oz3 n VAL 400 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1oz3 n GLY 401 N 2.28 0.54 0.24 2.92 0.00 -1.26 -4.98 105.19 104.93 1oz3 n GLY 401 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1oz3 n GLY 401 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1oz3 h TRP 402 N 0.00 0.82 -0.57 1.61 7.01 -1.74 -1.28 115.95 121.80 1oz3 h TRP 402 Ca 0.00 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 60.88 1oz3 h TRP 402 Cb 0.00 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 1oz3 h TRP 402 CO 0.00 0.73 0.26 0.00 -2.79 0.00 0.00 178.44 176.64 1oz3 h GLN 404 N 0.78 0.77 0.00 0.00 4.15 -1.71 0.20 115.11 119.30 1oz3 h GLN 404 Ca 0.19 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 59.19 1oz3 h GLN 404 Cb 0.15 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1oz3 h GLN 404 CO -0.02 0.94 -0.45 0.87 -1.93 0.00 0.00 178.83 178.24 1oz3 h LYS 405 N 0.66 0.00 -0.02 1.69 1.79 -0.79 -2.97 116.57 116.93 1oz3 h LYS 405 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1oz3 h LYS 405 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1oz3 h LYS 405 CO 0.06 0.45 -0.11 1.04 -1.08 0.00 0.00 179.45 179.82 1oz3 n GLN 406 N -3.99 1.73 -2.17 3.15 1.13 0.12 -4.96 117.38 112.40 1oz3 n GLN 406 Ca -0.02 -1.27 -0.18 0.00 -1.94 0.00 0.00 57.00 53.60 1oz3 n GLN 406 Cb 0.48 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 1oz3 n GLN 406 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1oz3 n GLY 407 N 1.30 0.07 3.86 1.08 0.00 0.47 -5.03 105.19 106.95 1oz3 n GLY 407 Ca 0.15 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1oz3 n GLY 407 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oz3 s LYS 408 N -4.60 3.72 0.34 1.61 2.20 0.06 -5.01 119.74 118.05 1oz3 s LYS 408 Ca 0.00 0.14 -0.28 0.00 -0.36 0.00 0.00 55.97 55.47 1oz3 s LYS 408 Cb 0.00 -3.11 -0.10 0.00 -1.51 0.00 0.00 37.83 33.10 1oz3 s LYS 408 CO 0.00 0.66 1.31 -1.25 -0.36 0.00 0.00 175.35 175.70 1oz3 s PRO 409 N -1.49 4.33 -0.22 4.03 0.04 -1.26 -4.37 135.00 136.06 1oz3 s PRO 409 Ca 0.26 2.21 -0.10 0.00 0.04 0.00 0.00 61.00 63.41 1oz3 s PRO 409 Cb -0.14 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 1oz3 s PRO 409 CO 0.14 -0.21 0.14 -1.17 0.04 0.00 0.00 177.00 175.94 1oz3 s LEU 410 N -1.84 4.09 -0.29 -3.56 1.98 -1.26 -4.44 118.68 113.35 1oz3 s LEU 410 Ca 0.49 0.13 -0.28 0.00 -2.89 0.00 0.00 54.13 51.59 1oz3 s LEU 410 Cb -0.40 -2.08 0.01 0.00 0.66 0.00 0.00 46.19 44.39 1oz3 s LEU 410 CO 0.53 0.11 1.03 -0.89 -1.89 0.00 0.00 176.35 175.23 1oz3 s THR 411 N 0.78 4.59 0.83 3.68 2.01 0.44 -4.97 115.64 123.00 1oz3 s THR 411 Ca 0.07 1.74 -0.12 0.00 0.31 0.00 0.00 61.69 63.70 1oz3 s THR 411 Cb -0.13 -4.35 0.09 0.00 0.01 0.00 0.00 72.50 68.12 1oz3 s THR 411 CO 0.02 -0.37 1.12 -2.84 -0.69 0.00 0.00 174.62 171.86 1oz3 s PRO 412 N 3.44 1.78 0.50 4.92 0.02 -1.26 -1.36 135.00 143.04 1oz3 s PRO 412 Ca 0.43 0.45 -0.21 0.00 0.02 0.00 0.00 61.00 61.70 1oz3 s PRO 412 Cb -0.13 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1oz3 s PRO 412 CO 0.12 -1.79 0.78 -2.30 -0.33 0.00 0.00 177.00 173.48 1oz3 n PRO 413 N -3.52 0.87 -1.67 5.54 -0.02 -1.26 -4.79 135.00 130.15 1oz3 n PRO 413 Ca 0.07 0.32 -0.45 0.00 -2.02 0.00 0.00 63.50 61.43 1oz3 n PRO 413 Cb 0.58 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1oz3 n PRO 413 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1oz3 n GLN 414 N -0.08 1.99 -2.28 -0.52 7.27 -1.14 -2.72 117.38 119.90 1oz3 n GLN 414 Ca 0.11 0.71 -0.19 0.00 0.07 0.00 0.00 57.00 57.70 1oz3 n GLN 414 Cb 0.43 -2.35 -0.02 0.00 2.41 0.00 0.00 30.24 30.72 1oz3 n GLN 414 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1oz3 n ASP 415 N 2.01 -5.52 -4.71 1.69 8.00 -1.26 -4.81 116.55 111.95 1oz3 n ASP 415 Ca 0.11 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 1oz3 n ASP 415 Cb 0.32 -4.57 -0.03 0.00 -0.02 0.00 0.00 41.12 36.81 1oz3 n ASP 415 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1oz3 s TYR 416 N -2.94 2.90 0.42 1.24 5.04 -1.10 -4.89 117.35 118.02 1oz3 s TYR 416 Ca 0.00 0.47 0.15 0.00 -2.44 0.00 0.00 57.07 55.25 1oz3 s TYR 416 Cb 0.00 -4.01 1.02 0.00 0.35 0.00 0.00 41.96 39.32 1oz3 s TYR 416 CO 0.00 -3.84 1.92 -1.35 -1.34 0.00 0.00 175.55 170.94 1oz3 h PRO 417 N 7.04 0.43 -2.66 4.97 0.11 -1.92 -3.20 132.00 136.78 1oz3 h PRO 417 Ca -0.43 -0.03 -0.60 0.00 0.11 0.00 0.00 66.00 65.06 1oz3 h PRO 417 Cb 1.20 -0.10 -0.39 0.00 0.11 0.00 0.00 31.00 31.82 1oz3 h PRO 417 CO 0.93 0.29 -0.83 0.34 -0.21 0.00 0.00 178.00 178.52 1oz3 s ASP 418 N -5.94 2.76 0.53 -2.05 -1.08 -1.26 -5.00 116.67 104.62 1oz3 s ASP 418 Ca -0.08 -3.05 0.22 0.00 -0.52 0.00 0.00 52.55 49.12 1oz3 s ASP 418 Cb 0.21 -0.80 1.37 0.00 -1.46 0.00 0.00 42.92 42.24 1oz3 s ASP 418 CO 0.77 -0.19 2.06 -0.65 0.52 0.00 0.00 175.17 177.68 1oz3 h PRO 419 N 5.96 0.00 0.70 4.34 0.11 -1.96 -2.85 132.00 138.30 1oz3 h PRO 419 Ca 0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1oz3 h PRO 419 Cb 0.89 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.00 1oz3 h PRO 419 CO 0.45 0.00 -0.34 -0.44 -0.21 0.00 0.00 178.00 177.46 1oz3 h ASP 420 N 0.00 -0.80 -2.00 -2.05 3.32 -1.94 -3.35 116.42 109.60 1oz3 h ASP 420 Ca 0.15 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.50 1oz3 h ASP 420 Cb 0.59 0.21 -0.33 0.00 0.22 0.00 0.00 39.33 40.02 1oz3 h ASP 420 CO -0.00 -0.51 0.31 -0.46 -1.72 0.00 0.00 179.24 176.86 1oz3 n ASN 421 N -5.46 6.25 -4.69 6.45 6.94 -1.08 -5.02 115.26 118.65 1oz3 n ASN 421 Ca -0.13 -3.75 -0.42 0.00 -0.02 0.00 0.00 54.58 50.26 1oz3 n ASN 421 Cb 0.39 -0.85 -0.03 0.00 -2.36 0.00 0.00 39.78 36.93 1oz3 n ASN 421 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1oz3 s PHE 422 N -3.90 2.35 -0.12 -2.53 5.36 -1.24 -5.00 117.98 112.89 1oz3 s PHE 422 Ca 0.47 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 1oz3 s PHE 422 Cb 0.34 -4.05 0.02 0.00 -0.34 0.00 0.00 43.02 38.99 1oz3 s PHE 422 CO -0.24 -4.23 -0.11 0.00 -1.46 0.00 0.00 175.22 169.18 1oz3 h TRP 424 N 7.90 0.48 -0.53 0.00 4.06 -1.99 -1.87 115.95 124.01 1oz3 h TRP 424 Ca -0.33 0.02 0.09 0.00 2.06 0.00 0.00 58.89 60.73 1oz3 h TRP 424 Cb 1.14 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 29.08 1oz3 h TRP 424 CO 0.48 0.28 0.13 0.93 -3.56 0.00 0.00 178.44 176.70 1oz3 h GLU 425 N 0.52 0.27 -0.28 0.49 4.39 -1.99 0.15 114.58 118.12 1oz3 h GLU 425 Ca 0.17 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1oz3 h GLU 425 Cb 0.01 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1oz3 h GLU 425 CO -0.08 0.18 -0.09 0.87 -1.16 0.00 0.00 179.01 178.73 1oz3 h LYS 426 N 0.28 0.56 -0.30 2.33 1.79 -1.98 -2.60 116.57 116.65 1oz3 h LYS 426 Ca 0.27 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1oz3 h LYS 426 Cb 0.35 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1oz3 h LYS 426 CO -0.32 0.77 0.20 -0.92 -1.08 0.00 0.00 179.45 178.10 1oz3 h TYR 427 N 0.31 0.37 -0.91 -1.35 3.20 -0.90 0.29 116.97 117.99 1oz3 h TYR 427 Ca 0.07 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1oz3 h TYR 427 Cb 0.58 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 1oz3 h TYR 427 CO 0.05 0.24 0.59 -0.07 -1.64 0.00 0.00 178.16 177.33 1oz3 h LEU 428 N 0.40 0.97 -0.20 2.82 3.38 -0.76 -0.83 115.31 121.09 1oz3 h LEU 428 Ca 0.11 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1oz3 h LEU 428 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1oz3 h LEU 428 CO -0.02 0.66 -0.05 -0.08 0.09 0.00 0.00 178.44 179.03 1oz3 h GLU 429 N 1.13 0.39 -0.50 1.13 4.81 -1.04 -1.66 114.58 118.84 1oz3 h GLU 429 Ca 0.37 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1oz3 h GLU 429 Cb 0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1oz3 h GLU 429 CO -0.13 0.64 0.16 0.93 -0.73 0.00 0.00 179.01 179.88 1oz3 h GLU 430 N 0.11 0.73 -0.06 1.92 5.08 -0.66 -2.78 114.58 118.93 1oz3 h GLU 430 Ca 0.05 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1oz3 h GLU 430 Cb 0.50 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1oz3 h GLU 430 CO 0.02 0.64 0.00 0.25 -1.00 0.00 0.00 179.01 178.92 1oz3 n THR 431 N -4.32 0.06 -3.19 1.13 -2.24 -0.34 -4.94 114.28 100.44 1oz3 n THR 431 Ca 0.04 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1oz3 n THR 431 Cb 0.19 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 68.85 1oz3 n THR 431 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz3 n GLY 432 N 1.14 -0.53 3.37 3.38 0.00 -1.00 -4.98 105.19 106.58 1oz3 n GLY 432 Ca 0.18 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 1oz3 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oz3 s ALA 433 N -3.21 2.21 0.12 4.61 0.00 -0.66 -5.06 121.76 119.77 1oz3 s ALA 433 Ca 0.38 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1oz3 s ALA 433 Cb -0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1oz3 s ALA 433 CO 0.47 0.30 -0.08 -1.12 0.00 0.00 0.00 175.76 175.33 1oz3 s SER 434 N -2.72 4.47 0.40 0.00 0.01 -1.26 -4.55 113.70 110.04 1oz3 s SER 434 Ca 0.18 -0.39 -0.24 0.00 1.31 0.00 0.00 55.95 56.81 1oz3 s SER 434 Cb -0.06 -0.87 -0.09 0.00 0.21 0.00 0.00 66.02 65.21 1oz3 s SER 434 CO 0.08 0.16 1.06 0.00 0.41 0.00 0.00 173.24 174.95 1oz3 s ALA 435 N -1.33 3.10 0.15 1.44 0.00 -1.26 -1.20 121.76 122.67 1oz3 s ALA 435 Ca 0.23 0.73 -0.32 0.00 0.00 0.00 0.00 51.96 52.60 1oz3 s ALA 435 Cb -0.11 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 1oz3 s ALA 435 CO 0.15 -0.24 1.77 0.28 0.00 0.00 0.00 175.76 177.72 1oz3 n VAL 436 N -0.02 0.20 -2.17 0.00 0.31 -0.26 -4.76 118.33 111.63 1oz3 n VAL 436 Ca 0.05 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 1oz3 n VAL 436 Cb 0.49 -2.01 0.01 0.00 -0.91 0.00 0.00 33.84 31.42 1oz3 n VAL 436 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1oz3 s PRO 437 N 2.02 3.25 0.35 5.55 0.04 -1.26 -4.67 135.00 140.28 1oz3 s PRO 437 Ca 0.79 1.59 0.07 0.00 0.04 0.00 0.00 61.00 63.50 1oz3 s PRO 437 Cb -0.52 -1.99 0.66 0.00 0.04 0.00 0.00 34.50 32.69 1oz3 s PRO 437 CO 0.36 -0.93 1.85 1.79 0.04 0.00 0.00 177.00 180.12 1oz3 h THR 438 N 1.01 1.21 -0.10 1.26 1.35 -1.98 -1.57 112.91 114.09 1oz3 h THR 438 Ca -0.50 -0.96 0.03 0.00 -0.55 0.00 0.00 66.41 64.44 1oz3 h THR 438 Cb 1.26 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1oz3 h THR 438 CO 0.56 0.30 0.11 4.11 -0.25 0.00 0.00 175.52 180.35 1oz3 h TRP 439 N 0.29 0.00 0.00 4.73 5.08 -2.01 -2.66 115.95 121.38 1oz3 h TRP 439 Ca 0.05 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.98 1oz3 h TRP 439 Cb 0.47 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 1oz3 h TRP 439 CO 0.01 0.00 -0.20 0.00 -1.28 0.00 0.00 178.44 176.97 1oz3 h ALA 440 N 1.87 1.00 -2.36 0.11 0.00 -1.58 -3.44 119.26 114.86 1oz3 h ALA 440 Ca 0.05 -0.18 -0.55 0.00 0.00 0.00 0.00 54.91 54.23 1oz3 h ALA 440 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1oz3 h ALA 440 CO -0.00 0.25 0.45 -0.06 0.00 0.00 0.00 179.25 179.89 1oz3 s PHE 441 N -3.59 3.59 0.10 0.00 0.40 -1.00 -4.81 117.98 112.66 1oz3 s PHE 441 Ca 0.01 1.64 0.08 0.00 -0.60 0.00 0.00 56.93 58.06 1oz3 s PHE 441 Cb 0.10 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.43 1oz3 s PHE 441 CO 0.63 -0.16 -0.15 0.15 0.70 0.00 0.00 175.22 176.39 1oz3 s LYS 442 N 1.39 1.97 -0.13 0.44 -0.14 -0.71 -5.02 119.74 117.53 1oz3 s LYS 442 Ca 0.51 -1.08 -0.29 0.00 -1.36 0.00 0.00 55.97 53.75 1oz3 s LYS 442 Cb -0.20 -2.20 -0.01 0.00 -1.68 0.00 0.00 37.83 33.73 1oz3 s LYS 442 CO 0.24 0.50 1.00 0.14 -0.76 0.00 0.00 175.35 176.48 1oz3 s VAL 443 N -1.13 4.77 -0.09 3.17 -7.23 -1.26 -4.31 120.40 114.32 1oz3 s VAL 443 Ca 0.19 2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 62.15 1oz3 s VAL 443 Cb -0.11 -4.30 -0.04 0.00 0.56 0.00 0.00 36.38 32.49 1oz3 s VAL 443 CO 0.11 -0.03 0.60 -0.60 -0.31 0.00 0.00 175.10 174.87 1oz3 s ARG 444 N 2.23 4.40 0.45 4.82 3.52 -1.23 -4.96 118.95 128.19 1oz3 s ARG 444 Ca 0.47 0.70 -0.23 0.00 -0.13 0.00 0.00 55.73 56.54 1oz3 s ARG 444 Cb -0.18 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.69 1oz3 s ARG 444 CO 0.15 0.10 1.11 -1.25 -0.81 0.00 0.00 175.30 174.61 1oz3 s PRO 445 N 0.72 3.85 0.76 5.12 0.04 -1.26 -4.99 135.00 139.24 1oz3 s PRO 445 Ca 0.33 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 1oz3 s PRO 445 Cb -0.17 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.05 1oz3 s PRO 445 CO 0.15 -0.44 1.14 -0.35 0.04 0.00 0.00 177.00 177.53 1oz3 n PRO 446 N -0.50 0.44 -1.19 0.56 -0.04 -1.26 -4.98 135.00 128.03 1oz3 n PRO 446 Ca 0.07 0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 63.46 1oz3 n PRO 446 Cb 0.49 -2.39 0.17 0.00 -0.04 0.00 0.00 33.50 31.74 1oz3 n PRO 446 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1oz3 s HIS 447 N -1.90 2.14 -0.46 0.54 -3.43 -0.80 -5.00 115.29 106.38 1oz3 s HIS 447 Ca 0.75 1.01 0.10 0.00 -0.80 0.00 0.00 55.06 56.12 1oz3 s HIS 447 Cb -0.32 -3.26 0.27 0.00 -1.43 0.00 0.00 32.58 27.84 1oz3 s HIS 447 CO 0.49 -2.83 1.21 0.43 -2.00 0.00 0.00 174.74 172.04 1oz3 n SER 448 N -4.13 2.80 -4.77 7.38 7.64 -1.26 -5.00 113.62 116.28 1oz3 n SER 448 Ca 0.05 -2.31 -0.40 0.00 1.01 0.00 0.00 58.87 57.23 1oz3 n SER 448 Cb 0.57 -0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 63.51 1oz3 n SER 448 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1oz3 s PHE 449 N -1.54 2.91 0.10 1.43 0.40 -1.26 -5.04 117.98 114.98 1oz3 s PHE 449 Ca 0.22 1.40 0.10 0.00 -0.60 0.00 0.00 56.93 58.04 1oz3 s PHE 449 Cb 0.15 -3.69 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 1oz3 s PHE 449 CO 0.09 -2.03 -0.26 -0.51 0.70 0.00 0.00 175.22 173.21 1oz3 s LEU 450 N -2.11 2.27 0.34 -0.37 1.43 -1.26 -4.97 118.68 114.00 1oz3 s LEU 450 Ca 0.53 -0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 1oz3 s LEU 450 Cb -0.39 -1.20 -0.12 0.00 0.03 0.00 0.00 46.19 44.50 1oz3 s LEU 450 CO 0.52 0.19 1.26 0.52 0.23 0.00 0.00 176.35 179.07 1oz3 n VAL 451 N 1.22 2.01 -1.52 -1.59 0.31 -1.26 -4.76 118.33 112.74 1oz3 n VAL 451 Ca -0.18 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1oz3 n VAL 451 Cb 0.53 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1oz3 n VAL 451 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1oz3 n ASN 452 N 0.80 -2.10 -3.71 4.52 5.03 0.28 -4.99 115.26 115.09 1oz3 n ASN 452 Ca 0.05 0.02 -0.12 0.00 0.87 0.00 0.00 54.58 55.40 1oz3 n ASN 452 Cb 0.36 -1.07 -0.07 0.00 -1.02 0.00 0.00 39.78 37.98 1oz3 n ASN 452 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1oz3 s LYS 454 N -0.40 0.89 0.01 3.52 1.02 -0.66 -4.63 119.74 119.48 1oz3 s LYS 454 Ca 0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 1oz3 s LYS 454 Cb -0.00 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 1oz3 s LYS 454 CO 0.01 -0.30 0.04 1.47 -0.92 0.00 0.00 175.35 175.65 1oz3 n LEU 455 N 0.41 0.00 -4.27 3.17 -0.00 -0.40 -0.63 117.00 115.28 1oz3 n LEU 455 Ca -0.18 -0.07 -0.32 0.00 -0.00 0.00 0.00 56.01 55.44 1oz3 n LEU 455 Cb 0.60 0.13 -0.16 0.00 -0.00 0.00 0.00 43.42 43.98 1oz3 n LEU 455 CO 0.20 -0.02 -0.56 -1.61 -0.00 0.00 0.00 177.39 175.39 1oz3 s GLU 456 N -2.00 2.58 -0.02 1.47 2.02 -0.36 -1.27 118.70 121.12 1oz3 s GLU 456 Ca 0.01 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 54.08 1oz3 s GLU 456 Cb -0.00 -2.17 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1oz3 s GLU 456 CO 0.00 0.37 0.04 0.00 0.02 0.00 0.00 175.26 175.70 1oz3 s ALA 457 N -0.14 -0.07 0.39 5.21 0.00 -0.80 -1.29 121.76 125.05 1oz3 s ALA 457 Ca -0.04 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 51.83 1oz3 s ALA 457 Cb -0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 1oz3 s ALA 457 CO 0.04 -0.04 1.37 0.14 0.00 0.00 0.00 175.76 177.26 1oz3 s VAL 458 N 0.30 2.41 -0.28 0.00 -7.23 -0.61 -1.41 120.40 113.59 1oz3 s VAL 458 Ca -0.02 0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 60.24 1oz3 s VAL 458 Cb -0.03 -3.24 0.01 0.00 0.56 0.00 0.00 36.38 33.68 1oz3 s VAL 458 CO -0.01 0.07 1.16 -0.62 -0.31 0.00 0.00 175.10 175.39 1oz3 s ASP 459 N -0.51 6.89 0.48 4.85 3.68 -0.28 -4.90 116.67 126.89 1oz3 s ASP 459 Ca 0.55 1.25 0.17 0.00 2.13 0.00 0.00 52.55 56.64 1oz3 s ASP 459 Cb -0.41 -2.54 1.16 0.00 -1.45 0.00 0.00 42.92 39.67 1oz3 s ASP 459 CO 0.54 -0.88 2.06 0.03 0.13 0.00 0.00 175.17 177.05 1oz3 h ARG 460 N 8.31 0.00 0.13 4.34 2.47 -1.93 -1.96 114.38 125.74 1oz3 h ARG 460 Ca -0.23 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.19 1oz3 h ARG 460 Cb 1.08 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1oz3 h ARG 460 CO 1.01 0.12 -1.48 0.00 0.56 0.00 0.00 179.97 180.18 1oz3 h ARG 461 N 0.00 0.28 -2.72 0.04 3.08 -1.98 -3.39 114.38 109.69 1oz3 h ARG 461 Ca -0.00 -0.47 -0.61 0.00 0.07 0.00 0.00 59.98 58.97 1oz3 h ARG 461 Cb 0.22 0.18 -0.40 0.00 0.08 0.00 0.00 29.97 30.04 1oz3 h ARG 461 CO 0.02 1.16 -0.77 1.21 -1.07 0.00 0.00 179.97 180.51 1oz3 s ASN 462 N -7.06 3.12 0.28 7.04 3.84 -1.14 -5.01 114.94 116.02 1oz3 s ASN 462 Ca -0.08 -3.46 0.19 0.00 0.21 0.00 0.00 52.86 49.72 1oz3 s ASN 462 Cb 0.07 -1.03 1.02 0.00 -0.55 0.00 0.00 41.25 40.75 1oz3 s ASN 462 CO 0.86 -0.13 1.58 -0.81 -2.79 0.00 0.00 177.10 175.82 1oz3 n PRO 463 N 2.41 0.12 0.29 0.43 -0.04 -0.75 -0.73 135.00 136.73 1oz3 n PRO 463 Ca 0.25 0.61 0.14 0.00 -0.04 0.00 0.00 63.50 64.46 1oz3 n PRO 463 Cb 0.41 -1.90 0.86 0.00 -0.04 0.00 0.00 33.50 32.84 1oz3 n PRO 463 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oz3 h ALA 464 N 2.02 1.50 -2.72 0.55 0.00 -1.95 -3.44 119.26 115.22 1oz3 h ALA 464 Ca 0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 1oz3 h ALA 464 Cb 0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1oz3 h ALA 464 CO 0.00 0.03 -0.49 -0.51 0.00 0.00 0.00 179.25 178.28 1oz3 s LEU 465 N -7.69 4.33 -0.06 0.00 1.43 0.09 -5.03 118.68 111.74 1oz3 s LEU 465 Ca -0.05 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1oz3 s LEU 465 Cb 0.15 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1oz3 s LEU 465 CO 0.56 0.38 -0.22 -0.63 0.23 0.00 0.00 176.35 176.67 1oz3 s ILE 466 N -1.08 2.35 0.17 -0.59 1.01 -1.26 -1.12 121.20 120.67 1oz3 s ILE 466 Ca 0.17 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.94 1oz3 s ILE 466 Cb -0.12 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1oz3 s ILE 466 CO 0.07 0.57 -0.17 -0.13 0.00 0.00 0.00 174.94 175.28 1oz3 s ARG 467 N -0.20 1.24 0.15 2.79 0.52 -0.50 -0.87 118.95 122.08 1oz3 s ARG 467 Ca -0.02 -1.42 -0.31 0.00 -0.52 0.00 0.00 55.73 53.46 1oz3 s ARG 467 Cb -0.13 -1.21 -0.10 0.00 0.52 0.00 0.00 34.95 34.03 1oz3 s ARG 467 CO 0.03 0.23 1.62 0.08 0.02 0.00 0.00 175.30 177.29 1oz3 s VAL 468 N -2.27 2.60 0.14 3.52 1.01 -0.93 -1.91 120.40 122.56 1oz3 s VAL 468 Ca 0.16 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1oz3 s VAL 468 Cb -0.04 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1oz3 s VAL 468 CO 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 175.10 175.18 1oz3 s ALA 469 N 1.51 1.07 0.05 5.51 0.00 -0.39 -2.70 121.76 126.81 1oz3 s ALA 469 Ca 0.72 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1oz3 s ALA 469 Cb -0.44 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1oz3 s ALA 469 CO 0.32 -0.35 -0.11 -1.12 0.00 0.00 0.00 175.76 174.49 1oz3 s SER 470 N -3.09 1.34 -0.41 0.00 0.01 0.74 -1.27 113.70 111.02 1oz3 s SER 470 Ca 0.20 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 1oz3 s SER 470 Cb 0.06 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1oz3 s SER 470 CO 0.00 -0.07 1.32 -0.69 0.41 0.00 0.00 173.24 174.21 1oz3 s VAL 471 N -1.10 4.03 -0.01 3.43 1.01 -1.26 -1.40 120.40 125.10 1oz3 s VAL 471 Ca -0.03 1.07 0.09 0.00 0.00 0.00 0.00 61.98 63.10 1oz3 s VAL 471 Cb -0.09 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 1oz3 s VAL 471 CO 0.01 -0.77 0.79 -0.08 0.00 0.00 0.00 175.10 175.05 1oz3 h GLU 472 N 10.07 0.04 -2.89 2.72 4.57 -1.00 0.82 114.58 128.91 1oz3 h GLU 472 Ca -0.26 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1oz3 h GLU 472 Cb 1.09 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.59 1oz3 h GLU 472 CO 1.09 0.70 0.25 0.34 -1.18 0.00 0.00 179.01 180.21 1oz3 s ASP 473 N -6.36 -0.51 0.06 1.04 3.68 -1.23 -4.86 116.67 108.49 1oz3 s ASP 473 Ca -0.05 -0.06 0.04 0.00 2.13 0.00 0.00 52.55 54.61 1oz3 s ASP 473 Cb 0.08 0.58 -0.03 0.00 -1.45 0.00 0.00 42.92 42.10 1oz3 s ASP 473 CO 0.82 -0.96 -0.12 0.68 0.13 0.00 0.00 175.17 175.73 1oz3 s VAL 474 N -3.67 0.88 0.23 1.11 -7.23 -1.26 -0.64 120.40 109.81 1oz3 s VAL 474 Ca 0.03 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1oz3 s VAL 474 Cb -0.01 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 36.01 1oz3 s VAL 474 CO -0.10 -0.30 0.05 -0.62 -0.31 0.00 0.00 175.10 173.81 1oz3 n GLU 475 N 1.31 0.97 -0.14 4.82 1.02 -0.10 -5.00 120.64 123.52 1oz3 n GLU 475 Ca -0.22 -1.80 -0.02 0.00 -0.02 0.00 0.00 57.16 55.10 1oz3 n GLU 475 Cb 0.54 0.80 0.20 0.00 -0.02 0.00 0.00 31.44 32.97 1oz3 n GLU 475 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1oz3 h ASP 476 N 0.76 0.78 0.00 1.62 3.32 -2.00 -3.34 116.42 117.56 1oz3 h ASP 476 Ca -0.18 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1oz3 h ASP 476 Cb 0.63 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1oz3 h ASP 476 CO 0.29 0.73 0.00 1.41 -1.72 0.00 0.00 179.24 179.95 1oz3 n HIS 477 N -4.30 0.00 -4.34 4.55 8.25 -1.26 -1.91 115.22 116.21 1oz3 n HIS 477 Ca 0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 1oz3 n HIS 477 Cb 0.19 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 1oz3 n HIS 477 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1oz3 s ARG 478 N -0.39 1.32 0.13 -0.41 0.52 -1.25 -1.37 118.95 117.50 1oz3 s ARG 478 Ca 0.00 -1.55 0.08 0.00 -0.52 0.00 0.00 55.73 53.74 1oz3 s ARG 478 Cb 0.00 -1.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.25 1oz3 s ARG 478 CO 0.00 0.21 -0.18 0.96 0.02 0.00 0.00 175.30 176.31 1oz3 s ILE 479 N -2.73 1.68 -0.25 1.52 -4.36 -0.22 -0.92 121.20 115.92 1oz3 s ILE 479 Ca 0.21 -1.74 -0.09 0.00 -0.26 0.00 0.00 60.65 58.77 1oz3 s ILE 479 Cb -0.02 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 1oz3 s ILE 479 CO 0.07 -0.25 0.11 -0.75 0.24 0.00 0.00 174.94 174.36 1oz3 s LYS 480 N -2.46 3.80 -0.09 0.37 2.20 0.19 -0.68 119.74 123.06 1oz3 s LYS 480 Ca 0.11 -0.40 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 1oz3 s LYS 480 Cb -0.07 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1oz3 s LYS 480 CO 0.05 -0.13 0.52 0.42 -0.36 0.00 0.00 175.35 175.85 1oz3 s ILE 481 N 1.51 5.13 -0.12 5.43 -1.09 0.97 -0.31 121.20 132.72 1oz3 s ILE 481 Ca 0.06 1.06 0.02 0.00 -2.23 0.00 0.00 60.65 59.55 1oz3 s ILE 481 Cb -0.15 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1oz3 s ILE 481 CO 0.06 0.33 -0.18 -2.28 -1.23 0.00 0.00 174.94 171.65 1oz3 s HIS 482 N 0.49 2.71 -0.46 3.97 5.65 -0.49 -1.45 115.29 125.70 1oz3 s HIS 482 Ca 0.28 -0.86 -0.26 0.00 0.25 0.00 0.00 55.06 54.48 1oz3 s HIS 482 Cb -0.16 -1.79 0.03 0.00 -1.18 0.00 0.00 32.58 29.47 1oz3 s HIS 482 CO 0.12 -0.33 0.94 -0.06 -0.65 0.00 0.00 174.74 174.77 1oz3 s PHE 483 N 0.40 2.92 0.02 3.88 2.99 -1.26 -0.18 117.98 126.74 1oz3 s PHE 483 Ca -0.14 0.42 -0.36 0.00 0.00 0.00 0.00 56.93 56.85 1oz3 s PHE 483 Cb -0.17 -4.00 -0.15 0.00 0.00 0.00 0.00 43.02 38.70 1oz3 s PHE 483 CO 0.06 -1.11 1.53 -0.25 -0.00 0.00 0.00 175.22 175.45 1oz3 n ASP 484 N 7.22 2.34 0.00 1.36 9.92 -1.10 -1.05 116.55 135.23 1oz3 n ASP 484 Ca 0.07 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1oz3 n ASP 484 Cb 0.49 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 1oz3 n ASP 484 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oz3 n GLY 485 N 3.25 1.49 3.98 0.44 0.00 -1.26 -2.37 105.19 110.72 1oz3 n GLY 485 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1oz3 n GLY 485 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oz3 s TRP 486 N -2.38 3.15 0.33 1.61 0.52 -0.22 -4.49 118.94 117.47 1oz3 s TRP 486 Ca 0.00 -0.14 -0.29 0.00 0.02 0.00 0.00 56.10 55.70 1oz3 s TRP 486 Cb 0.00 -2.02 -0.12 0.00 -1.15 0.00 0.00 33.47 30.18 1oz3 s TRP 486 CO 0.00 -0.04 1.34 0.45 0.02 0.00 0.00 176.95 178.72 1oz3 n SER 487 N -1.69 2.90 0.05 2.95 2.88 -1.26 -4.86 113.62 114.58 1oz3 n SER 487 Ca -0.00 1.20 0.04 0.00 -1.33 0.00 0.00 58.87 58.78 1oz3 n SER 487 Cb 0.58 -1.49 0.22 0.00 -0.75 0.00 0.00 64.21 62.77 1oz3 n SER 487 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1oz3 n HIS 488 N 0.66 0.23 0.26 0.66 8.25 -1.26 -2.00 115.22 122.02 1oz3 n HIS 488 Ca 0.06 0.12 0.11 0.00 -0.26 0.00 0.00 57.72 57.74 1oz3 n HIS 488 Cb 0.36 -0.69 0.71 0.00 1.12 0.00 0.00 29.99 31.49 1oz3 n HIS 488 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1oz3 h GLY 489 N 0.47 0.00 0.69 -1.41 0.00 -2.01 -2.16 103.07 98.65 1oz3 h GLY 489 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oz3 h GLY 489 CO 0.00 0.00 -0.09 -1.72 0.00 0.00 0.00 176.54 174.73 1oz3 n TYR 490 N -3.87 0.00 -1.77 5.60 4.02 -0.85 -4.96 117.16 115.33 1oz3 n TYR 490 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.48 1oz3 n TYR 490 Cb 0.20 -0.13 0.04 0.00 -0.02 0.00 0.00 39.34 39.43 1oz3 n TYR 490 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1oz3 s ASP 491 N -2.35 5.33 -0.03 7.72 1.01 -0.81 -4.88 116.67 122.65 1oz3 s ASP 491 Ca 0.32 2.80 -0.15 0.00 0.71 0.00 0.00 52.55 56.23 1oz3 s ASP 491 Cb 0.20 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.52 1oz3 s ASP 491 CO 0.45 -1.53 0.33 0.72 0.21 0.00 0.00 175.17 175.34 1oz3 s PHE 492 N -1.28 -0.23 0.29 4.23 -0.71 -0.53 -4.95 117.98 114.80 1oz3 s PHE 492 Ca 0.70 0.39 -0.26 0.00 -1.04 0.00 0.00 56.93 56.73 1oz3 s PHE 492 Cb -0.41 0.11 -0.09 0.00 -1.21 0.00 0.00 43.02 41.42 1oz3 s PHE 492 CO 0.49 -0.37 0.90 -1.58 -1.34 0.00 0.00 175.22 173.33 1oz3 s TRP 493 N -1.12 3.74 -0.08 3.49 0.52 -1.26 -0.02 118.94 124.21 1oz3 s TRP 493 Ca -0.12 1.74 -0.14 0.00 0.02 0.00 0.00 56.10 57.61 1oz3 s TRP 493 Cb -0.05 -2.88 0.03 0.00 -1.15 0.00 0.00 33.47 29.42 1oz3 s TRP 493 CO 0.04 0.28 0.34 -1.50 0.02 0.00 0.00 176.95 176.13 1oz3 s ILE 494 N -1.51 0.02 0.51 2.03 2.07 0.14 -4.94 121.20 119.52 1oz3 s ILE 494 Ca 0.47 -0.20 -0.22 0.00 -1.41 0.00 0.00 60.65 59.29 1oz3 s ILE 494 Cb -0.20 -0.55 -0.06 0.00 0.13 0.00 0.00 42.46 41.78 1oz3 s ILE 494 CO 0.25 -0.11 1.27 -1.81 -1.91 0.00 0.00 174.94 172.62 1oz3 s ASP 495 N -0.46 5.67 0.47 4.50 1.11 -1.26 -1.05 116.67 125.65 1oz3 s ASP 495 Ca -0.06 2.55 0.24 0.00 0.18 0.00 0.00 52.55 55.46 1oz3 s ASP 495 Cb -0.04 -2.62 1.18 0.00 1.07 0.00 0.00 42.92 42.51 1oz3 s ASP 495 CO 0.02 -1.28 1.96 0.00 1.18 0.00 0.00 175.17 177.06 1oz3 h ALA 496 N 1.71 1.23 -0.44 5.23 0.00 -1.56 -2.18 119.26 123.25 1oz3 h ALA 496 Ca -0.50 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1oz3 h ALA 496 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1oz3 h ALA 496 CO 0.58 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 1oz3 n ASP 497 N -3.65 2.45 -4.75 0.00 5.75 -1.26 -4.86 116.55 110.22 1oz3 n ASP 497 Ca -0.01 -1.97 -0.41 0.00 -0.01 0.00 0.00 54.79 52.38 1oz3 n ASP 497 Cb 0.32 -0.29 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 1oz3 n ASP 497 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1oz3 s HIS 498 N -1.42 3.00 -0.81 2.11 2.46 -0.82 -4.89 115.29 114.92 1oz3 s HIS 498 Ca 0.31 1.14 0.09 0.00 0.47 0.00 0.00 55.06 57.07 1oz3 s HIS 498 Cb 0.16 -3.80 0.44 0.00 -0.13 0.00 0.00 32.58 29.26 1oz3 s HIS 498 CO 0.22 -2.48 1.29 -0.35 -2.47 0.00 0.00 174.74 170.95 1oz3 n PRO 499 N 1.82 0.04 -0.77 2.88 -0.04 -1.26 -3.17 135.00 134.50 1oz3 n PRO 499 Ca 0.05 0.46 0.01 0.00 -0.04 0.00 0.00 63.50 63.98 1oz3 n PRO 499 Cb 0.41 -1.62 0.29 0.00 -0.04 0.00 0.00 33.50 32.54 1oz3 n PRO 499 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1oz3 n ASP 500 N -1.70 4.27 -4.43 3.54 8.00 -1.26 -4.89 116.55 120.08 1oz3 n ASP 500 Ca 0.01 -3.20 -0.29 0.00 0.71 0.00 0.00 54.79 52.01 1oz3 n ASP 500 Cb 0.07 -0.65 -0.13 0.00 -0.02 0.00 0.00 41.12 40.39 1oz3 n ASP 500 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1oz3 s ILE 501 N -2.95 2.51 0.04 0.53 -4.36 -1.19 -1.57 121.20 114.20 1oz3 s ILE 501 Ca 0.49 -1.57 -0.14 0.00 -0.26 0.00 0.00 60.65 59.17 1oz3 s ILE 501 Cb 0.40 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 42.02 1oz3 s ILE 501 CO 0.10 0.15 0.31 -1.00 0.24 0.00 0.00 174.94 174.74 1oz3 s HIS 502 N -1.05 -0.13 0.51 1.37 3.76 -0.41 -4.83 115.29 114.51 1oz3 s HIS 502 Ca 0.15 0.03 -0.22 0.00 -0.15 0.00 0.00 55.06 54.87 1oz3 s HIS 502 Cb -0.10 0.11 -0.06 0.00 1.11 0.00 0.00 32.58 33.63 1oz3 s HIS 502 CO 0.07 -0.50 1.22 -1.25 -0.85 0.00 0.00 174.74 173.43 1oz3 s PRO 503 N -2.39 3.44 0.16 8.40 0.04 -1.26 -1.22 135.00 142.17 1oz3 s PRO 503 Ca -0.06 1.88 -0.32 0.00 0.04 0.00 0.00 61.00 62.54 1oz3 s PRO 503 Cb -0.01 -2.26 -0.17 0.00 0.04 0.00 0.00 34.50 32.10 1oz3 s PRO 503 CO -0.02 -0.84 0.95 0.00 0.04 0.00 0.00 177.00 177.13 1oz3 n ALA 504 N -0.87 -1.88 0.00 8.56 0.00 -1.26 -1.85 120.51 123.21 1oz3 n ALA 504 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1oz3 n ALA 504 Cb 0.48 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1oz3 n ALA 504 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oz3 n GLY 505 N 1.83 1.49 0.12 0.00 0.00 -1.26 -4.97 105.19 102.40 1oz3 n GLY 505 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1oz3 n GLY 505 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1oz3 h TRP 506 N 0.00 0.32 -0.16 1.61 7.01 -1.73 -1.28 115.95 121.71 1oz3 h TRP 506 Ca 0.00 -0.06 0.04 0.00 2.11 0.00 0.00 58.89 60.98 1oz3 h TRP 506 Cb 0.00 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 1oz3 h TRP 506 CO 0.00 0.51 -0.09 0.00 -2.79 0.00 0.00 178.44 176.07 1oz3 h SER 508 N -0.08 0.64 1.28 0.00 4.64 -1.67 0.16 113.55 118.52 1oz3 h SER 508 Ca 0.09 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1oz3 h SER 508 Cb 0.21 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1oz3 h SER 508 CO -0.21 0.84 -0.20 0.11 -0.87 0.00 0.00 176.83 176.50 1oz3 h LYS 509 N 0.58 0.00 0.00 4.77 1.57 -1.08 -3.21 116.57 119.20 1oz3 h LYS 509 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1oz3 h LYS 509 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1oz3 h LYS 509 CO 0.05 0.20 -1.23 0.25 -0.57 0.00 0.00 179.45 178.15 1oz3 n THR 510 N -3.25 0.02 -0.96 -0.16 -2.24 -0.35 -4.89 114.28 102.45 1oz3 n THR 510 Ca 0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1oz3 n THR 510 Cb 0.49 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1oz3 n THR 510 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz3 n GLY 511 N 1.43 0.88 3.79 3.38 0.00 -0.02 -3.95 105.19 110.70 1oz3 n GLY 511 Ca 0.02 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1oz3 n GLY 511 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oz3 s HIS 512 N -2.00 3.48 0.52 1.61 5.04 0.34 -3.84 115.29 120.44 1oz3 s HIS 512 Ca 0.00 0.40 -0.22 0.00 -1.54 0.00 0.00 55.06 53.70 1oz3 s HIS 512 Cb 0.00 -2.06 -0.06 0.00 0.04 0.00 0.00 32.58 30.49 1oz3 s HIS 512 CO 0.00 0.47 1.24 -2.30 -2.34 0.00 0.00 174.74 171.80 1oz3 n PRO 513 N 2.88 1.57 -4.95 2.88 -0.02 -1.26 -4.11 135.00 131.98 1oz3 n PRO 513 Ca -0.18 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 1oz3 n PRO 513 Cb 0.53 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 1oz3 n PRO 513 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1oz3 s LEU 514 N -2.55 2.35 -0.23 2.45 0.20 -1.26 -4.51 118.68 115.13 1oz3 s LEU 514 Ca 0.69 -0.47 -0.26 0.00 0.69 0.00 0.00 54.13 54.78 1oz3 s LEU 514 Cb -0.45 -1.50 -0.00 0.00 -0.43 0.00 0.00 46.19 43.81 1oz3 s LEU 514 CO 0.51 0.15 0.89 -1.10 -0.29 0.00 0.00 176.35 176.51 1oz3 s GLN 515 N 0.44 4.22 0.90 1.98 -1.52 -0.05 -5.00 119.66 120.63 1oz3 s GLN 515 Ca -0.14 1.07 -0.12 0.00 -1.95 0.00 0.00 55.36 54.23 1oz3 s GLN 515 Cb -0.17 -3.63 0.13 0.00 -0.22 0.00 0.00 33.01 29.12 1oz3 s GLN 515 CO 0.06 -0.52 1.09 -2.14 -0.25 0.00 0.00 175.29 173.53 1oz3 s PRO 516 N 2.84 1.23 0.32 2.91 0.02 -1.26 -2.19 135.00 138.87 1oz3 s PRO 516 Ca 0.38 0.83 -0.28 0.00 0.02 0.00 0.00 61.00 61.95 1oz3 s PRO 516 Cb -0.15 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.43 1oz3 s PRO 516 CO 0.08 -2.26 1.15 -2.30 -0.33 0.00 0.00 177.00 173.33 1oz3 n PRO 517 N -3.90 1.73 0.00 5.54 -0.02 -1.26 -4.78 135.00 132.31 1oz3 n PRO 517 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1oz3 n PRO 517 Cb 0.55 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1oz3 n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76