#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kie s ALA 218 N 0.00 -0.38 0.00 4.61 0.00 -1.26 -4.33 121.76 120.40 3kie s ALA 218 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3kie s ALA 218 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3kie s ALA 218 CO 0.00 -1.08 0.00 -0.25 0.00 0.00 0.00 175.76 174.43 3kie n ASP 219 N 5.33 0.16 -0.86 0.00 8.00 -1.22 -5.10 116.55 122.87 3kie n ASP 219 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3kie n ASP 219 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3kie n ASP 219 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kie n GLY 220 N 0.69 4.04 0.10 0.44 0.00 -1.26 -4.77 105.19 104.43 3kie n GLY 220 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 3kie n GLY 220 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kie h VAL 221 N 0.21 0.70 -0.98 1.61 2.07 -1.96 -3.35 116.25 114.55 3kie h VAL 221 Ca 0.00 -1.32 -0.48 0.00 0.82 0.00 0.00 66.70 65.72 3kie h VAL 221 Cb 0.00 1.27 -0.18 0.00 -1.52 0.00 0.00 31.29 30.86 3kie h VAL 221 CO 0.00 0.22 0.44 0.61 0.02 0.00 0.00 177.57 178.86 3kie n GLY 222 N 1.22 4.41 2.80 2.17 0.00 -1.26 -4.77 105.19 109.75 3kie n GLY 222 Ca -0.06 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 3kie n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kie s ASN 223 N 0.17 1.09 0.16 1.61 2.47 -1.25 -5.13 114.94 114.05 3kie s ASN 223 Ca 0.53 -0.14 -0.33 0.00 0.42 0.00 0.00 52.86 53.34 3kie s ASN 223 Cb 0.36 0.59 -0.13 0.00 -1.45 0.00 0.00 41.25 40.62 3kie s ASN 223 CO -0.18 -0.32 1.64 -1.54 -3.72 0.00 0.00 177.10 172.98 3kie n SER 224 N 5.33 3.36 -1.27 -4.21 3.41 -1.26 -4.60 113.62 114.38 3kie n SER 224 Ca -0.05 1.07 -0.02 0.00 -0.26 0.00 0.00 58.87 59.61 3kie n SER 224 Cb 0.49 -1.46 0.14 0.00 -0.26 0.00 0.00 64.21 63.12 3kie n SER 224 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kie n SER 225 N 3.83 3.18 0.00 4.04 3.41 -1.26 -4.91 113.62 121.91 3kie n SER 225 Ca 0.17 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 3kie n SER 225 Cb 0.31 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3kie n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kie n GLY 226 N 0.10 1.93 3.76 5.00 0.00 -1.26 -4.57 105.19 110.15 3kie n GLY 226 Ca 0.17 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 3kie n GLY 226 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kie s ASN 227 N 0.00 4.67 -0.90 1.61 0.02 -1.26 -4.87 114.94 114.21 3kie s ASN 227 Ca 0.00 -0.87 -0.21 0.00 -1.02 0.00 0.00 52.86 50.76 3kie s ASN 227 Cb 0.00 -0.61 0.09 0.00 0.02 0.00 0.00 41.25 40.75 3kie s ASN 227 CO 0.00 -0.45 1.20 0.86 0.02 0.00 0.00 177.10 178.72 3kie s TRP 228 N -2.49 2.84 -0.56 2.20 -0.11 -1.26 -4.97 118.94 114.59 3kie s TRP 228 Ca 0.41 -1.04 -0.17 0.00 1.22 0.00 0.00 56.10 56.52 3kie s TRP 228 Cb -0.00 -4.42 0.12 0.00 -1.50 0.00 0.00 33.47 27.67 3kie s TRP 228 CO 0.24 -1.67 0.57 -1.01 -4.62 0.00 0.00 176.95 170.46 3kie s HIS 229 N 3.69 3.18 -0.27 5.86 3.76 -1.26 -4.98 115.29 125.27 3kie s HIS 229 Ca 0.35 -1.20 -0.04 0.00 -0.15 0.00 0.00 55.06 54.02 3kie s HIS 229 Cb -0.06 -3.87 0.09 0.00 1.11 0.00 0.00 32.58 29.86 3kie s HIS 229 CO -0.05 -1.11 0.11 0.00 -0.85 0.00 0.00 174.74 172.84 3kie s ASP 231 N 2.02 -0.25 -0.16 0.00 3.68 -0.68 -4.96 116.67 116.31 3kie s ASP 231 Ca 0.07 -0.20 -0.08 0.00 2.13 0.00 0.00 52.55 54.47 3kie s ASP 231 Cb -0.16 0.42 0.06 0.00 -1.45 0.00 0.00 42.92 41.78 3kie s ASP 231 CO -0.28 -0.73 0.37 -0.94 0.13 0.00 0.00 175.17 173.72 3kie s SER 232 N -2.72 -0.44 0.23 -0.34 1.04 -1.26 -0.67 113.70 109.53 3kie s SER 232 Ca 0.09 0.81 0.06 0.00 0.48 0.00 0.00 55.95 57.39 3kie s SER 232 Cb -0.01 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.76 3kie s SER 232 CO -0.03 -0.19 -0.09 0.00 0.98 0.00 0.00 173.24 173.91 3kie s GLN 233 N 1.42 1.38 0.13 4.02 1.03 -1.23 -5.04 119.66 121.37 3kie s GLN 233 Ca -0.09 -1.65 0.07 0.00 0.04 0.00 0.00 55.36 53.72 3kie s GLN 233 Cb -0.09 -1.00 -0.04 0.00 0.03 0.00 0.00 33.01 31.91 3kie s GLN 233 CO -0.12 0.08 -0.04 -1.58 -2.54 0.00 0.00 175.29 171.10 3kie s TRP 234 N -3.09 2.83 -0.21 9.60 0.52 -1.26 -3.08 118.94 124.24 3kie s TRP 234 Ca 0.25 -0.12 0.02 0.00 0.02 0.00 0.00 56.10 56.27 3kie s TRP 234 Cb 0.02 -1.43 0.05 0.00 -1.15 0.00 0.00 33.47 30.97 3kie s TRP 234 CO 0.08 0.48 0.95 1.28 0.02 0.00 0.00 176.95 179.76 3kie n LEU 235 N 0.31 1.98 0.00 2.99 7.99 0.90 -4.98 117.00 126.19 3kie n LEU 235 Ca -0.11 -1.78 0.00 0.00 -0.01 0.00 0.00 56.01 54.10 3kie n LEU 235 Cb 0.53 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 3kie n LEU 235 CO 0.37 0.49 0.00 0.61 -1.51 0.00 0.00 177.39 177.35 3kie n GLY 236 N -0.20 1.12 0.01 -0.72 0.00 -1.26 -4.20 105.19 99.94 3kie n GLY 236 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3kie n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kie n ASP 237 N 0.65 0.62 -3.71 1.61 2.03 -1.26 -4.89 116.55 111.60 3kie n ASP 237 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 3kie n ASP 237 Cb 0.00 1.86 -0.02 0.00 -0.72 0.00 0.00 41.12 42.24 3kie n ASP 237 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kie s ARG 238 N -3.31 1.24 -0.01 -0.67 1.70 -1.26 -2.53 118.95 114.10 3kie s ARG 238 Ca -0.07 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 3kie s ARG 238 Cb 0.12 0.45 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 3kie s ARG 238 CO 0.80 -0.56 0.01 0.54 -1.08 0.00 0.00 175.30 175.01 3kie s VAL 239 N -3.39 0.00 -0.22 4.99 0.11 0.04 -0.07 120.40 121.86 3kie s VAL 239 Ca 0.10 0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.19 3kie s VAL 239 Cb -0.02 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.73 3kie s VAL 239 CO 0.00 0.06 0.03 -0.63 -3.33 0.00 0.00 175.10 171.22 3kie s ILE 240 N 0.56 4.05 -0.29 7.04 1.09 -1.18 -0.02 121.20 132.46 3kie s ILE 240 Ca -0.05 -0.27 -0.08 0.00 -1.10 0.00 0.00 60.65 59.16 3kie s ILE 240 Cb -0.07 -2.86 -0.00 0.00 -1.06 0.00 0.00 42.46 38.46 3kie s ILE 240 CO -0.01 0.39 0.09 0.42 -0.10 0.00 0.00 174.94 175.73 3kie s THR 241 N 1.31 4.18 -0.15 2.92 -4.23 0.56 -3.48 115.64 116.75 3kie s THR 241 Ca 0.04 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 3kie s THR 241 Cb -0.15 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 3kie s THR 241 CO 0.02 0.14 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.34 3kie s THR 242 N 1.55 4.14 -0.02 3.99 2.01 0.15 -0.75 115.64 126.71 3kie s THR 242 Ca 0.04 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.78 3kie s THR 242 Cb -0.17 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.54 3kie s THR 242 CO 0.03 0.50 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.89 3kie s SER 243 N 0.22 0.49 -0.04 3.53 0.15 -0.73 -1.69 113.70 115.63 3kie s SER 243 Ca -0.01 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.62 3kie s SER 243 Cb -0.13 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 3kie s SER 243 CO 0.02 -0.05 -0.11 -0.89 1.20 0.00 0.00 173.24 173.42 3kie s THR 244 N 0.65 0.97 0.10 6.45 2.01 -1.22 -0.56 115.64 124.03 3kie s THR 244 Ca -0.07 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.51 3kie s THR 244 Cb -0.10 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3kie s THR 244 CO -0.01 0.30 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.04 3kie s ARG 245 N 0.33 0.83 -0.13 4.92 1.81 -0.75 -4.93 118.95 121.03 3kie s ARG 245 Ca -0.07 -1.34 -0.11 0.00 -1.72 0.00 0.00 55.73 52.49 3kie s ARG 245 Cb -0.11 -0.13 -0.05 0.00 -0.45 0.00 0.00 34.95 34.21 3kie s ARG 245 CO 0.02 -0.05 0.23 0.99 -0.68 0.00 0.00 175.30 175.80 3kie s THR 246 N -3.69 5.35 0.20 0.02 2.01 -1.26 -1.59 115.64 116.67 3kie s THR 246 Ca 0.13 0.42 0.10 0.00 0.31 0.00 0.00 61.69 62.64 3kie s THR 246 Cb 0.06 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3kie s THR 246 CO -0.04 0.50 -0.20 -1.66 -0.69 0.00 0.00 174.62 172.53 3kie s TRP 247 N -0.27 2.02 -0.00 4.92 1.48 -0.16 -2.65 118.94 124.27 3kie s TRP 247 Ca 0.15 -0.43 0.02 0.00 -1.06 0.00 0.00 56.10 54.79 3kie s TRP 247 Cb -0.13 -0.97 -0.01 0.00 -1.16 0.00 0.00 33.47 31.21 3kie s TRP 247 CO 0.04 0.46 -0.08 0.00 -4.06 0.00 0.00 176.95 173.31 3kie s ALA 248 N -2.17 0.66 -0.11 2.67 0.00 -0.66 -2.42 121.76 119.73 3kie s ALA 248 Ca 0.21 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 3kie s ALA 248 Cb -0.05 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3kie s ALA 248 CO 0.09 0.16 -0.04 -1.17 0.00 0.00 0.00 175.76 174.80 3kie s LEU 249 N -0.23 1.05 0.00 0.00 2.96 0.16 -0.60 118.68 122.01 3kie s LEU 249 Ca 0.03 -0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 3kie s LEU 249 Cb -0.03 -0.69 0.21 0.00 0.50 0.00 0.00 46.19 46.17 3kie s LEU 249 CO -0.00 -0.17 1.24 -2.65 -1.32 0.00 0.00 176.35 173.45 3kie n PRO 250 N 5.01 -1.18 -3.29 0.98 -0.02 -1.26 -1.16 135.00 134.08 3kie n PRO 250 Ca -0.10 -1.97 -0.44 0.00 -2.02 0.00 0.00 63.50 58.97 3kie n PRO 250 Cb 0.49 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.63 3kie n PRO 250 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kie s THR 251 N -3.71 5.07 0.42 3.45 2.01 -1.26 -4.74 115.64 116.88 3kie s THR 251 Ca 0.71 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 3kie s THR 251 Cb -0.02 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 3kie s THR 251 CO 0.50 -0.62 0.87 -0.31 -0.69 0.00 0.00 174.62 174.37 3kie s TYR 252 N 2.12 3.39 -1.03 4.92 1.51 -1.26 -4.04 117.35 122.96 3kie s TYR 252 Ca 0.10 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 3kie s TYR 252 Cb -0.21 -2.69 0.00 0.00 -0.11 0.00 0.00 41.96 38.96 3kie s TYR 252 CO 0.10 -0.12 0.00 0.09 -1.11 0.00 0.00 175.55 174.51 3kie n ASN 253 N -0.91 -2.58 -3.67 2.29 5.03 -1.26 -2.26 115.26 111.89 3kie n ASN 253 Ca 0.05 0.24 -0.21 0.00 0.87 0.00 0.00 54.58 55.53 3kie n ASN 253 Cb 0.54 -2.54 0.04 0.00 -1.02 0.00 0.00 39.78 36.80 3kie n ASN 253 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3kie n ASN 254 N -0.10 -1.25 -2.35 6.41 2.85 -1.26 -1.18 115.26 118.38 3kie n ASN 254 Ca -0.10 -0.80 -0.18 0.00 -0.11 0.00 0.00 54.58 53.39 3kie n ASN 254 Cb 0.32 -4.15 -0.01 0.00 1.24 0.00 0.00 39.78 37.18 3kie n ASN 254 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3kie n HIS 255 N -4.25 -1.09 -4.39 1.20 8.25 -0.96 -4.96 115.22 109.03 3kie n HIS 255 Ca -0.30 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 56.96 3kie n HIS 255 Cb 0.68 -3.48 -0.14 0.00 1.12 0.00 0.00 29.99 28.17 3kie n HIS 255 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kie s LEU 256 N -5.76 2.13 -0.17 2.41 1.43 -0.33 -4.98 118.68 113.42 3kie s LEU 256 Ca 0.00 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 3kie s LEU 256 Cb 0.00 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 3kie s LEU 256 CO 0.00 0.05 0.59 -0.31 0.23 0.00 0.00 176.35 176.91 3kie s TYR 257 N -0.71 3.42 -0.06 0.29 1.51 -1.26 -3.79 117.35 116.74 3kie s TYR 257 Ca 0.02 0.93 0.05 0.00 -1.01 0.00 0.00 57.07 57.06 3kie s TYR 257 Cb -0.07 -2.73 -0.01 0.00 -0.11 0.00 0.00 41.96 39.04 3kie s TYR 257 CO 0.01 -0.07 -0.23 0.15 -1.11 0.00 0.00 175.55 174.30 3kie s LYS 258 N 1.49 2.61 -0.37 -0.62 1.02 -0.14 -4.94 119.74 118.79 3kie s LYS 258 Ca 0.28 -0.87 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 3kie s LYS 258 Cb -0.16 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3kie s LYS 258 CO 0.11 0.39 1.18 -1.14 -0.92 0.00 0.00 175.35 174.97 3kie s GLN 259 N -0.18 3.88 0.19 1.68 0.74 -1.26 0.51 119.66 125.22 3kie s GLN 259 Ca -0.03 0.94 0.06 0.00 0.05 0.00 0.00 55.36 56.38 3kie s GLN 259 Cb -0.14 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 3kie s GLN 259 CO 0.04 -1.17 0.12 0.96 -0.55 0.00 0.00 175.29 174.69 3kie s ILE 260 N 4.23 4.33 0.25 -2.34 -4.36 -0.45 -4.95 121.20 117.91 3kie s ILE 260 Ca 0.50 -1.23 -0.21 0.00 -0.26 0.00 0.00 60.65 59.45 3kie s ILE 260 Cb -0.12 -3.24 0.06 0.00 1.25 0.00 0.00 42.46 40.41 3kie s ILE 260 CO 0.24 -0.17 0.89 -0.94 0.24 0.00 0.00 174.94 175.20 3kie s SER 261 N -3.26 -0.08 0.43 4.36 1.04 -1.26 -1.31 113.70 113.62 3kie s SER 261 Ca 0.31 -0.74 -0.23 0.00 0.48 0.00 0.00 55.95 55.76 3kie s SER 261 Cb -0.09 0.64 -0.08 0.00 0.10 0.00 0.00 66.02 66.59 3kie s SER 261 CO 0.23 -1.24 1.11 -0.94 0.98 0.00 0.00 173.24 173.37 3kie s SER 262 N -3.11 6.44 0.43 7.02 1.04 -0.41 -4.93 113.70 120.18 3kie s SER 262 Ca 0.16 2.16 -0.26 0.00 0.48 0.00 0.00 55.95 58.49 3kie s SER 262 Cb -0.04 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 3kie s SER 262 CO 0.07 -0.72 1.43 1.67 0.98 0.00 0.00 173.24 176.66 3kie n GLN 263 N -0.34 2.30 -1.56 4.02 0.00 -1.26 -4.81 117.38 115.73 3kie n GLN 263 Ca 0.06 0.82 -0.18 0.00 -0.00 0.00 0.00 57.00 57.70 3kie n GLN 263 Cb 0.49 -2.61 -0.06 0.00 0.00 0.00 0.00 30.24 28.06 3kie n GLN 263 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3kie n SER 264 N -0.02 1.90 -2.50 1.69 7.64 -1.26 -2.87 113.62 118.19 3kie n SER 264 Ca 0.05 -1.28 -0.09 0.00 1.01 0.00 0.00 58.87 58.56 3kie n SER 264 Cb 0.41 -1.64 0.05 0.00 -1.01 0.00 0.00 64.21 62.01 3kie n SER 264 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kie n GLY 265 N 6.63 -0.22 0.02 0.23 0.00 -1.26 -4.98 105.19 105.61 3kie n GLY 265 Ca 0.45 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 3kie n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kie n ALA 266 N -2.63 1.96 -3.50 4.61 0.00 -1.14 -5.08 120.51 114.73 3kie n ALA 266 Ca -0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 3kie n ALA 266 Cb 0.58 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 3kie n ALA 266 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kie s SER 267 N -3.43 -0.52 -0.21 0.00 0.15 -1.26 -5.08 113.70 103.36 3kie s SER 267 Ca -0.03 0.33 -0.09 0.00 0.70 0.00 0.00 55.95 56.86 3kie s SER 267 Cb 0.02 0.47 -0.09 0.00 -1.71 0.00 0.00 66.02 64.71 3kie s SER 267 CO 0.24 -0.64 -0.26 -3.20 1.20 0.00 0.00 173.24 170.58 3kie n ASN 268 N 0.32 1.55 0.00 5.45 4.05 -1.26 -4.22 115.26 121.16 3kie n ASN 268 Ca -0.15 0.22 0.15 0.00 0.45 0.00 0.00 54.58 55.26 3kie n ASN 268 Cb 0.60 -0.58 0.89 0.00 1.23 0.00 0.00 39.78 41.93 3kie n ASN 268 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3kie n ASP 269 N -3.84 0.00 -0.31 1.20 8.00 -1.26 -3.26 116.55 117.08 3kie n ASP 269 Ca -0.40 -0.79 0.05 0.00 0.71 0.00 0.00 54.79 54.36 3kie n ASP 269 Cb 0.80 -0.06 0.12 0.00 -0.02 0.00 0.00 41.12 41.95 3kie n ASP 269 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kie n ASN 270 N -1.06 2.62 -4.74 -2.24 5.03 -1.26 -4.85 115.26 108.75 3kie n ASN 270 Ca 0.21 -2.48 -0.37 0.00 0.87 0.00 0.00 54.58 52.81 3kie n ASN 270 Cb 0.14 -0.26 0.05 0.00 -1.02 0.00 0.00 39.78 38.68 3kie n ASN 270 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3kie s HIS 271 N -1.85 2.26 0.07 3.10 3.76 -1.20 -4.90 115.29 116.54 3kie s HIS 271 Ca 0.21 1.45 -0.27 0.00 -0.15 0.00 0.00 55.06 56.31 3kie s HIS 271 Cb 0.16 -3.67 0.08 0.00 1.11 0.00 0.00 32.58 30.26 3kie s HIS 271 CO 0.06 -2.69 0.85 1.52 -0.85 0.00 0.00 174.74 173.63 3kie s TYR 272 N -1.41 -0.32 -0.15 1.40 -0.85 -1.24 -4.98 117.35 109.81 3kie s TYR 272 Ca 0.76 0.11 -0.08 0.00 -0.52 0.00 0.00 57.07 57.34 3kie s TYR 272 Cb -0.37 0.57 0.05 0.00 0.38 0.00 0.00 41.96 42.60 3kie s TYR 272 CO 0.41 -0.69 0.36 0.12 -1.52 0.00 0.00 175.55 174.22 3kie s PHE 273 N -3.30 -0.50 0.00 -3.49 5.36 -1.26 -1.29 117.98 113.50 3kie s PHE 273 Ca 0.06 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 3kie s PHE 273 Cb -0.01 0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 3kie s PHE 273 CO -0.06 -0.30 0.00 0.41 -1.46 0.00 0.00 175.22 173.81 3kie n GLY 274 N 4.13 2.30 3.10 13.12 0.00 -0.43 -1.24 105.19 126.17 3kie n GLY 274 Ca -0.23 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 3kie n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kie s TYR 275 N -1.78 0.24 -0.18 1.61 1.51 -0.92 -1.35 117.35 116.47 3kie s TYR 275 Ca 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.46 3kie s TYR 275 Cb 0.00 -0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.67 3kie s TYR 275 CO 0.00 -0.35 -0.08 0.45 -1.11 0.00 0.00 175.55 174.45 3kie s SER 276 N -2.17 4.16 0.06 2.29 0.15 0.18 -2.72 113.70 115.65 3kie s SER 276 Ca -0.04 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.25 3kie s SER 276 Cb -0.01 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 3kie s SER 276 CO -0.05 0.05 0.13 0.42 1.20 0.00 0.00 173.24 174.99 3kie s THR 277 N 1.04 4.88 -2.00 6.45 -4.23 -0.81 -0.97 115.64 120.00 3kie s THR 277 Ca -0.00 -0.58 0.15 0.00 -1.18 0.00 0.00 61.69 60.08 3kie s THR 277 Cb -0.15 -3.35 0.43 0.00 1.34 0.00 0.00 72.50 70.77 3kie s THR 277 CO -0.01 0.16 1.33 -2.65 -0.54 0.00 0.00 174.62 172.91 3kie n PRO 278 N 0.47 0.58 -3.48 3.99 -0.02 -1.25 -4.36 135.00 130.93 3kie n PRO 278 Ca -0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.10 3kie n PRO 278 Cb 0.51 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.55 3kie n PRO 278 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kie s TRP 279 N -2.00 3.46 0.54 6.00 0.52 -1.26 -4.24 118.94 121.96 3kie s TRP 279 Ca 0.23 0.66 0.05 0.00 0.02 0.00 0.00 56.10 57.05 3kie s TRP 279 Cb 0.10 -2.10 0.05 0.00 -1.15 0.00 0.00 33.47 30.38 3kie s TRP 279 CO 0.17 0.29 0.44 0.41 0.02 0.00 0.00 176.95 178.28 3kie n GLY 280 N -0.41 2.69 3.35 0.98 0.00 0.20 -0.80 105.19 111.20 3kie n GLY 280 Ca -0.02 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.60 3kie n GLY 280 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kie s TYR 281 N -2.69 -0.30 -0.05 1.61 -0.85 -1.08 -1.82 117.35 112.17 3kie s TYR 281 Ca 0.33 0.11 -0.03 0.00 -0.52 0.00 0.00 57.07 56.96 3kie s TYR 281 Cb -0.03 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 3kie s TYR 281 CO 0.21 -0.70 0.10 -0.06 -1.52 0.00 0.00 175.55 173.58 3kie s PHE 282 N -3.38 3.39 -0.05 -3.49 0.40 -0.98 -4.02 117.98 109.85 3kie s PHE 282 Ca 0.00 0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 56.54 3kie s PHE 282 Cb 0.01 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.74 3kie s PHE 282 CO -0.09 0.60 0.25 0.34 0.70 0.00 0.00 175.22 177.01 3kie s ASP 283 N -1.43 -0.17 -0.05 1.36 3.68 -1.26 -4.59 116.67 114.22 3kie s ASP 283 Ca 0.20 0.20 0.13 0.00 2.13 0.00 0.00 52.55 55.20 3kie s ASP 283 Cb -0.12 0.38 0.23 0.00 -1.45 0.00 0.00 42.92 41.97 3kie s ASP 283 CO 0.10 -0.27 1.12 2.22 0.13 0.00 0.00 175.17 178.46 3kie n PHE 284 N 2.03 -0.08 -0.14 -5.34 1.16 -1.26 -2.66 117.46 111.17 3kie n PHE 284 Ca -0.18 -0.71 0.00 0.00 -1.87 0.00 0.00 57.45 54.69 3kie n PHE 284 Cb 0.57 0.29 0.00 0.00 -1.61 0.00 0.00 39.48 38.72 3kie n PHE 284 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3kie n ASN 285 N 0.03 3.59 -4.04 5.98 4.05 -1.26 -4.66 115.26 118.95 3kie n ASN 285 Ca -0.12 -1.92 -0.21 0.00 0.45 0.00 0.00 54.58 52.78 3kie n ASN 285 Cb 0.90 -0.74 -0.15 0.00 1.23 0.00 0.00 39.78 41.02 3kie n ASN 285 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3kie s ARG 286 N 0.47 1.00 0.35 1.20 0.52 -1.26 -2.75 118.95 118.48 3kie s ARG 286 Ca 0.00 -0.37 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 3kie s ARG 286 Cb 0.00 -0.94 0.64 0.00 0.52 0.00 0.00 34.95 35.17 3kie s ARG 286 CO 0.00 0.18 1.92 0.74 0.02 0.00 0.00 175.30 178.16 3kie h PHE 287 N 6.16 0.59 0.00 -0.53 -1.00 -1.52 -1.83 116.94 118.81 3kie h PHE 287 Ca -0.33 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.42 3kie h PHE 287 Cb 1.17 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.55 3kie h PHE 287 CO 0.42 0.51 0.00 -2.39 -1.61 0.00 0.00 178.31 175.24 3kie n HIS 288 N -4.33 0.00 0.21 -0.55 1.44 0.21 -1.30 115.22 110.90 3kie n HIS 288 Ca 0.03 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.81 3kie n HIS 288 Cb 0.19 -0.36 0.45 0.00 0.12 0.00 0.00 29.99 30.39 3kie n HIS 288 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kie n HIS 290 N -3.59 0.00 -3.49 0.00 8.25 -0.42 -4.84 115.22 111.12 3kie n HIS 290 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 3kie n HIS 290 Cb 0.42 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 3kie n HIS 290 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kie s PHE 291 N -2.01 3.72 0.58 4.41 0.40 -0.63 -4.75 117.98 119.70 3kie s PHE 291 Ca -0.01 0.99 -0.08 0.00 -0.60 0.00 0.00 56.93 57.24 3kie s PHE 291 Cb 0.00 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 3kie s PHE 291 CO 0.01 0.63 0.92 -1.54 0.70 0.00 0.00 175.22 175.95 3kie s SER 292 N -1.02 5.90 0.20 1.36 1.04 -1.26 -4.53 113.70 115.39 3kie s SER 292 Ca 0.24 0.99 -0.14 0.00 0.48 0.00 0.00 55.95 57.52 3kie s SER 292 Cb -0.17 -2.06 0.22 0.00 0.10 0.00 0.00 66.02 64.12 3kie s SER 292 CO 0.13 -0.93 1.64 -0.65 0.98 0.00 0.00 173.24 174.41 3kie h PRO 293 N -0.16 0.01 0.13 4.02 0.11 -1.97 -0.36 132.00 133.78 3kie h PRO 293 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3kie h PRO 293 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kie h PRO 293 CO 0.62 0.01 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.26 3kie h ARG 294 N 0.01 -0.17 -0.42 1.05 9.65 -2.00 -2.12 114.38 120.39 3kie h ARG 294 Ca 0.29 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.25 3kie h ARG 294 Cb 0.45 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 3kie h ARG 294 CO -0.60 -0.09 0.06 -0.44 2.80 0.00 0.00 179.97 181.70 3kie h ASP 295 N -0.19 -0.04 -0.84 -3.80 3.32 -1.83 0.26 116.42 113.30 3kie h ASP 295 Ca -0.02 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.25 3kie h ASP 295 Cb 0.15 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3kie h ASP 295 CO 0.03 0.01 0.55 -0.25 -1.72 0.00 0.00 179.24 177.86 3kie h TRP 296 N 0.18 0.72 0.38 4.55 2.91 -0.87 0.16 115.95 123.98 3kie h TRP 296 Ca 0.21 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.23 3kie h TRP 296 Cb 0.27 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 3kie h TRP 296 CO -0.22 0.28 -0.18 0.37 -1.03 0.00 0.00 178.44 177.65 3kie h GLN 297 N 0.62 -0.49 -0.32 2.65 4.15 -0.28 -0.07 115.11 121.36 3kie h GLN 297 Ca 0.41 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.94 3kie h GLN 297 Cb 0.72 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.45 3kie h GLN 297 CO -0.17 -0.23 -0.17 0.00 -1.93 0.00 0.00 178.83 176.33 3kie h ARG 298 N -0.68 -0.11 0.11 1.69 3.08 -0.62 -0.68 114.38 117.16 3kie h ARG 298 Ca -0.05 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3kie h ARG 298 Cb 0.49 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 3kie h ARG 298 CO 0.09 -0.08 -0.53 1.25 -1.07 0.00 0.00 179.97 179.63 3kie h LEU 299 N -0.12 -1.60 -0.34 3.04 6.46 -0.91 -2.79 115.31 119.05 3kie h LEU 299 Ca 0.17 0.17 0.04 0.00 -0.12 0.00 0.00 57.88 58.14 3kie h LEU 299 Cb 0.37 0.59 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 3kie h LEU 299 CO -0.40 -0.56 0.10 0.40 -0.62 0.00 0.00 178.44 177.37 3kie h ILE 300 N -0.75 0.89 0.00 4.05 1.08 -0.60 -2.72 117.51 119.45 3kie h ILE 300 Ca -0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 3kie h ILE 300 Cb 0.76 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 3kie h ILE 300 CO -0.30 0.04 0.00 0.59 -0.69 0.00 0.00 178.15 177.80 3kie n ASN 301 N -5.04 0.00 0.00 1.72 3.02 -0.30 -4.08 115.26 110.58 3kie n ASN 301 Ca 0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3kie n ASN 301 Cb 0.13 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3kie n ASN 301 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kie n ASN 302 N -1.08 3.08 -4.29 6.41 3.02 -1.06 -4.95 115.26 116.38 3kie n ASN 302 Ca 0.21 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.44 3kie n ASN 302 Cb 0.14 0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 39.69 3kie n ASN 302 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kie s ASN 303 N -1.48 3.48 0.29 6.41 0.01 -1.04 -3.50 114.94 119.11 3kie s ASN 303 Ca 0.00 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 3kie s ASN 303 Cb 0.00 -1.40 0.65 0.00 0.41 0.00 0.00 41.25 40.91 3kie s ASN 303 CO 0.00 0.18 1.79 -0.50 -1.51 0.00 0.00 177.10 177.06 3kie h TRP 304 N 6.58 1.05 -2.49 2.20 -0.00 -0.87 -3.42 115.95 119.00 3kie h TRP 304 Ca -0.24 0.03 0.15 0.00 -0.00 0.00 0.00 58.89 58.84 3kie h TRP 304 Cb 1.22 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.16 30.01 3kie h TRP 304 CO 0.48 0.29 0.52 0.20 -0.00 0.00 0.00 178.44 179.93 3kie s GLY 305 N -3.63 -0.00 0.28 1.49 0.00 -1.12 -1.67 107.32 102.67 3kie s GLY 305 Ca -0.12 -0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 3kie s GLY 305 CO 0.80 1.22 0.68 -0.11 0.00 0.00 0.00 173.10 175.69 3kie s PHE 306 N -2.61 -0.09 0.06 1.90 -0.12 -1.25 -0.44 117.98 115.43 3kie s PHE 306 Ca 0.18 -0.36 -0.27 0.00 -0.05 0.00 0.00 56.93 56.43 3kie s PHE 306 Cb -0.02 0.62 0.09 0.00 -0.63 0.00 0.00 43.02 43.08 3kie s PHE 306 CO 0.05 -1.21 0.79 -0.98 -0.05 0.00 0.00 175.22 173.83 3kie s ARG 307 N -3.91 0.99 0.43 1.99 1.70 -0.60 -1.91 118.95 117.64 3kie s ARG 307 Ca 0.13 -0.37 -0.21 0.00 -0.47 0.00 0.00 55.73 54.81 3kie s ARG 307 Cb -0.05 0.45 -0.11 0.00 -0.57 0.00 0.00 34.95 34.67 3kie s ARG 307 CO 0.07 -0.43 0.96 -2.14 -1.08 0.00 0.00 175.30 172.68 3kie s PRO 308 N -3.34 4.20 0.06 3.89 0.02 -1.26 -0.90 135.00 137.67 3kie s PRO 308 Ca 0.04 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.21 3kie s PRO 308 Cb -0.01 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3kie s PRO 308 CO -0.10 -0.06 0.00 1.63 -0.33 0.00 0.00 177.00 178.15 3kie n LYS 309 N -0.62 0.00 -4.68 5.54 4.76 0.34 -4.73 118.16 118.76 3kie n LYS 309 Ca 0.07 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.21 3kie n LYS 309 Cb 0.54 -0.09 -0.09 0.00 -1.84 0.00 0.00 35.03 33.54 3kie n LYS 309 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kie s LYS 310 N -1.33 2.07 -0.19 1.97 1.02 -1.22 -0.98 119.74 121.09 3kie s LYS 310 Ca 0.00 -2.26 -0.16 0.00 0.02 0.00 0.00 55.97 53.56 3kie s LYS 310 Cb 0.00 -1.47 0.05 0.00 -0.52 0.00 0.00 37.83 35.89 3kie s LYS 310 CO 0.00 -0.25 0.49 -1.17 -0.92 0.00 0.00 175.35 173.50 3kie s LEU 311 N -3.78 0.06 -0.16 3.17 2.96 -0.47 -2.79 118.68 117.67 3kie s LEU 311 Ca 0.19 1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 55.07 3kie s LEU 311 Cb 0.05 1.69 0.05 0.00 0.50 0.00 0.00 46.19 48.48 3kie s LEU 311 CO 0.10 -0.18 0.03 -0.44 -1.32 0.00 0.00 176.35 174.54 3kie s SER 312 N 0.40 2.48 -0.15 3.68 0.01 0.71 -1.89 113.70 118.94 3kie s SER 312 Ca -0.01 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 3kie s SER 312 Cb -0.04 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 3kie s SER 312 CO -0.01 -0.28 -0.01 0.12 0.41 0.00 0.00 173.24 173.47 3kie s PHE 313 N 1.93 3.10 -0.03 2.43 5.36 0.14 -0.77 117.98 130.15 3kie s PHE 313 Ca 0.01 -0.12 -0.00 0.00 -0.96 0.00 0.00 56.93 55.86 3kie s PHE 313 Cb -0.16 -1.96 0.03 0.00 -0.34 0.00 0.00 43.02 40.60 3kie s PHE 313 CO -0.07 0.10 0.05 0.21 -1.46 0.00 0.00 175.22 174.05 3kie s LYS 314 N 0.14 -0.02 -0.08 10.12 2.20 0.23 -1.15 119.74 131.19 3kie s LYS 314 Ca 0.01 0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 3kie s LYS 314 Cb -0.13 -0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 35.95 3kie s LYS 314 CO 0.02 -0.16 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.15 3kie s LEU 315 N 1.03 2.40 0.00 5.43 1.43 -0.42 0.06 118.68 128.61 3kie s LEU 315 Ca -0.09 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 3kie s LEU 315 Cb -0.12 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.67 3kie s LEU 315 CO -0.03 0.23 0.73 2.22 0.23 0.00 0.00 176.35 179.72 3kie n PHE 316 N 3.06 -2.24 -4.11 0.29 1.16 -0.88 -0.99 117.46 113.75 3kie n PHE 316 Ca -0.18 -1.77 -0.34 0.00 -1.87 0.00 0.00 57.45 53.29 3kie n PHE 316 Cb 0.52 0.85 -0.01 0.00 -1.61 0.00 0.00 39.48 39.24 3kie n PHE 316 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3kie n ASN 317 N -1.51 -3.58 -4.74 5.98 5.03 -1.26 -1.62 115.26 113.56 3kie n ASN 317 Ca -0.08 -0.94 -0.41 0.00 0.87 0.00 0.00 54.58 54.02 3kie n ASN 317 Cb 0.56 -3.14 -0.04 0.00 -1.02 0.00 0.00 39.78 36.15 3kie n ASN 317 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3kie s ILE 318 N -3.33 3.60 -0.04 2.41 1.01 -1.26 -4.27 121.20 119.32 3kie s ILE 318 Ca 0.67 1.40 0.01 0.00 0.00 0.00 0.00 60.65 62.73 3kie s ILE 318 Cb -0.36 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.24 3kie s ILE 318 CO 0.90 0.25 -0.03 -1.10 0.00 0.00 0.00 174.94 174.96 3kie s GLN 319 N -0.54 0.61 -0.37 2.79 -0.21 0.11 -4.48 119.66 117.57 3kie s GLN 319 Ca 0.50 -0.04 -0.07 0.00 0.02 0.00 0.00 55.36 55.78 3kie s GLN 319 Cb -0.32 -0.68 0.05 0.00 1.00 0.00 0.00 33.01 33.07 3kie s GLN 319 CO 0.38 -0.09 0.16 0.08 -2.12 0.00 0.00 175.29 173.69 3kie s VAL 320 N 0.91 3.90 -0.19 1.09 1.01 -1.26 -0.89 120.40 124.97 3kie s VAL 320 Ca -0.11 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.52 3kie s VAL 320 Cb -0.14 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3kie s VAL 320 CO -0.00 -0.30 0.14 -0.54 0.00 0.00 0.00 175.10 174.39 3kie s LYS 321 N 1.40 4.15 -0.12 2.72 -0.14 -0.26 -1.80 119.74 125.69 3kie s LYS 321 Ca 0.00 -0.20 -0.02 0.00 -1.36 0.00 0.00 55.97 54.39 3kie s LYS 321 Cb -0.21 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.51 3kie s LYS 321 CO 0.02 0.32 -0.04 -1.83 -0.76 0.00 0.00 175.35 173.06 3kie s GLU 322 N 0.29 3.35 0.02 1.68 4.04 -0.89 -0.50 118.70 126.69 3kie s GLU 322 Ca 0.09 -0.51 0.03 0.00 0.04 0.00 0.00 54.97 54.61 3kie s GLU 322 Cb -0.11 -2.81 -0.04 0.00 0.02 0.00 0.00 34.13 31.19 3kie s GLU 322 CO -0.01 0.41 -0.03 0.54 -1.84 0.00 0.00 175.26 174.32 3kie s VAL 323 N -0.10 3.91 -0.05 1.83 0.11 -0.80 -2.47 120.40 122.83 3kie s VAL 323 Ca 0.02 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 3kie s VAL 323 Cb -0.13 -2.74 0.02 0.00 -1.53 0.00 0.00 36.38 32.00 3kie s VAL 323 CO 0.03 0.34 -0.04 0.42 -3.33 0.00 0.00 175.10 172.52 3kie s THR 324 N -1.08 0.50 -0.69 5.04 -4.23 -0.60 -4.54 115.64 110.04 3kie s THR 324 Ca 0.19 -0.08 -0.18 0.00 -1.18 0.00 0.00 61.69 60.44 3kie s THR 324 Cb -0.11 -0.55 0.13 0.00 1.34 0.00 0.00 72.50 73.30 3kie s THR 324 CO 0.10 0.23 0.79 -1.10 -0.54 0.00 0.00 174.62 174.11 3kie s GLN 325 N 1.09 3.23 -0.00 3.99 1.11 -1.26 -1.88 119.66 125.94 3kie s GLN 325 Ca -0.08 -1.57 -0.00 0.00 0.01 0.00 0.00 55.36 53.71 3kie s GLN 325 Cb -0.14 -4.40 -0.00 0.00 -1.01 0.00 0.00 33.01 27.45 3kie s GLN 325 CO -0.01 -1.55 0.15 -0.91 0.01 0.00 0.00 175.29 172.98 3kie h ASN 326 N 8.91 -0.01 0.00 5.90 2.35 -1.95 -3.48 115.58 127.31 3kie h ASN 326 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3kie h ASN 326 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3kie h ASN 326 CO 1.05 0.01 0.00 0.47 -1.65 0.00 0.00 177.43 177.31 3kie n ASP 327 N -2.10 0.00 -0.41 5.81 8.00 -1.26 -4.93 116.55 121.66 3kie n ASP 327 Ca -0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 3kie n ASP 327 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 3kie n ASP 327 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kie n GLY 328 N 3.99 3.31 2.89 0.44 0.00 -1.26 -5.03 105.19 109.53 3kie n GLY 328 Ca 0.00 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 3kie n GLY 328 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kie s THR 329 N -1.84 0.78 -0.35 2.61 -1.32 -1.26 -5.11 115.64 109.15 3kie s THR 329 Ca 0.24 -0.18 -0.23 0.00 -1.21 0.00 0.00 61.69 60.31 3kie s THR 329 Cb 0.22 -0.82 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 3kie s THR 329 CO -0.01 0.31 0.77 0.42 -2.21 0.00 0.00 174.62 173.90 3kie s THR 330 N 1.43 4.76 -0.15 5.08 -4.23 -1.26 -3.03 115.64 118.25 3kie s THR 330 Ca -0.02 0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 61.34 3kie s THR 330 Cb -0.13 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 3kie s THR 330 CO -0.04 -0.38 0.08 0.42 -0.54 0.00 0.00 174.62 174.16 3kie s THR 331 N 3.03 5.01 -0.08 3.99 -4.23 -0.79 -4.96 115.64 117.61 3kie s THR 331 Ca 0.31 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.90 3kie s THR 331 Cb -0.13 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 3kie s THR 331 CO 0.16 0.54 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.91 3kie s ILE 332 N -0.32 2.17 0.11 2.99 1.01 -1.26 -1.55 121.20 124.34 3kie s ILE 332 Ca 0.09 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3kie s ILE 332 Cb -0.12 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3kie s ILE 332 CO 0.01 0.56 0.10 0.00 0.00 0.00 0.00 174.94 175.62 3kie n ALA 333 N 3.24 0.19 -2.65 9.38 0.00 -1.03 -5.00 120.51 124.63 3kie n ALA 333 Ca -0.18 -0.62 -0.37 0.00 0.00 0.00 0.00 53.44 52.26 3kie n ALA 333 Cb 0.52 0.51 -0.09 0.00 0.00 0.00 0.00 19.45 20.39 3kie n ALA 333 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kie s ASN 334 N -1.76 6.15 -0.89 0.00 0.01 -1.26 -2.09 114.94 115.10 3kie s ASN 334 Ca 0.13 0.15 -0.05 0.00 -0.71 0.00 0.00 52.86 52.38 3kie s ASN 334 Cb 0.01 -2.12 0.22 0.00 0.41 0.00 0.00 41.25 39.76 3kie s ASN 334 CO 0.09 0.03 0.80 0.21 -1.51 0.00 0.00 177.10 176.72 3kie s ASN 335 N 1.14 6.28 0.22 -1.22 3.84 -0.75 -4.91 114.94 119.55 3kie s ASN 335 Ca 0.09 -3.42 -0.08 0.00 0.21 0.00 0.00 52.86 49.66 3kie s ASN 335 Cb -0.14 -2.01 0.19 0.00 -0.55 0.00 0.00 41.25 38.75 3kie s ASN 335 CO 0.06 -0.29 1.89 -0.07 -2.79 0.00 0.00 177.10 175.90 3kie h LEU 336 N 6.56 1.00 0.00 3.21 3.38 -1.96 -2.35 115.31 125.15 3kie h LEU 336 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kie h LEU 336 Cb 0.88 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kie h LEU 336 CO 0.85 0.74 0.00 0.35 0.09 0.00 0.00 178.44 180.48 3kie n THR 337 N -4.46 0.00 -3.55 0.22 -2.24 -1.26 -4.37 114.28 98.62 3kie n THR 337 Ca 0.09 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 3kie n THR 337 Cb 0.03 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 3kie n THR 337 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kie s SER 338 N -1.45 6.48 0.38 3.42 0.15 -0.89 -5.08 113.70 116.71 3kie s SER 338 Ca 0.07 0.63 0.07 0.00 0.70 0.00 0.00 55.95 57.42 3kie s SER 338 Cb 0.03 -2.11 -0.07 0.00 -1.71 0.00 0.00 66.02 62.16 3kie s SER 338 CO 0.06 -0.05 -0.01 0.42 1.20 0.00 0.00 173.24 174.85 3kie s THR 339 N -1.84 1.93 0.12 6.45 -4.23 -1.26 -4.45 115.64 112.36 3kie s THR 339 Ca 0.42 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 58.93 3kie s THR 339 Cb -0.11 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3kie s THR 339 CO 0.26 -0.05 -0.12 0.54 -0.54 0.00 0.00 174.62 174.71 3kie s VAL 340 N -2.77 1.16 -0.10 2.29 0.11 -0.07 -2.37 120.40 118.65 3kie s VAL 340 Ca 0.34 -1.80 0.03 0.00 -2.93 0.00 0.00 61.98 57.63 3kie s VAL 340 Cb 0.08 -1.57 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 3kie s VAL 340 CO 0.17 -0.56 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.07 3kie s GLN 341 N -3.04 2.67 0.07 1.54 -0.21 -0.24 0.17 119.66 120.61 3kie s GLN 341 Ca 0.10 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.81 3kie s GLN 341 Cb -0.02 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.89 3kie s GLN 341 CO 0.01 0.11 -0.19 0.08 -2.12 0.00 0.00 175.29 173.18 3kie s VAL 342 N 0.50 1.55 -0.03 1.09 1.01 -0.32 -2.14 120.40 122.06 3kie s VAL 342 Ca -0.16 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 3kie s VAL 342 Cb -0.17 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 34.90 3kie s VAL 342 CO 0.06 0.05 0.76 0.72 0.00 0.00 0.00 175.10 176.68 3kie s PHE 343 N -0.97 -0.54 -0.17 5.22 -0.12 -1.14 -0.61 117.98 119.64 3kie s PHE 343 Ca 0.05 0.78 -0.00 0.00 -0.05 0.00 0.00 56.93 57.71 3kie s PHE 343 Cb -0.09 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 3kie s PHE 343 CO 0.03 -0.59 -0.14 -0.08 -0.05 0.00 0.00 175.22 174.39 3kie s THR 344 N -1.84 2.67 -1.05 -4.49 -1.32 -1.26 -0.83 115.64 107.52 3kie s THR 344 Ca -0.05 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.45 3kie s THR 344 Cb -0.00 -2.15 -0.03 0.00 -1.51 0.00 0.00 72.50 68.81 3kie s THR 344 CO 0.02 0.50 1.84 -0.62 -2.21 0.00 0.00 174.62 174.15 3kie s ASP 345 N 1.05 5.52 0.08 8.08 3.68 -0.14 -4.67 116.67 130.27 3kie s ASP 345 Ca -0.01 -1.30 0.22 0.00 2.13 0.00 0.00 52.55 53.59 3kie s ASP 345 Cb -0.15 -2.57 -0.16 0.00 -1.45 0.00 0.00 42.92 38.59 3kie s ASP 345 CO -0.04 -2.47 0.77 -1.20 0.13 0.00 0.00 175.17 172.36 3kie n SER 346 N 12.65 0.43 -0.25 -0.34 7.64 -1.26 -3.68 113.62 128.82 3kie n SER 346 Ca 0.41 0.13 0.14 0.00 1.01 0.00 0.00 58.87 60.56 3kie n SER 346 Cb 0.47 1.21 0.64 0.00 -1.01 0.00 0.00 64.21 65.53 3kie n SER 346 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kie n GLU 347 N -2.42 1.18 -3.69 1.43 1.02 -1.26 -4.94 120.64 111.95 3kie n GLU 347 Ca -0.02 -0.50 -0.23 0.00 -0.02 0.00 0.00 57.16 56.40 3kie n GLU 347 Cb 0.55 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.51 3kie n GLU 347 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kie n TYR 348 N -0.47 -1.92 0.16 -0.32 4.02 -1.24 -4.91 117.16 112.48 3kie n TYR 348 Ca 0.18 0.78 0.10 0.00 -0.01 0.00 0.00 57.90 58.95 3kie n TYR 348 Cb 0.27 -4.19 -0.14 0.00 -0.02 0.00 0.00 39.34 35.26 3kie n TYR 348 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3kie n GLN 349 N -4.21 0.62 -3.58 -0.72 6.02 -1.26 -4.90 117.38 109.35 3kie n GLN 349 Ca -0.26 -0.15 -0.38 0.00 -0.01 0.00 0.00 57.00 56.21 3kie n GLN 349 Cb 0.66 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.42 3kie n GLN 349 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kie s LEU 350 N -4.08 4.44 -0.14 1.08 1.43 -1.26 -5.02 118.68 115.13 3kie s LEU 350 Ca -0.04 0.84 -0.39 0.00 -1.03 0.00 0.00 54.13 53.51 3kie s LEU 350 Cb 0.13 -2.47 -0.16 0.00 0.03 0.00 0.00 46.19 43.72 3kie s LEU 350 CO 0.80 0.32 1.60 -2.65 0.23 0.00 0.00 176.35 176.66 3kie n PRO 351 N 1.98 1.18 -2.38 1.29 -0.02 -1.26 -4.86 135.00 130.93 3kie n PRO 351 Ca -0.15 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 3kie n PRO 351 Cb 0.53 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 3kie n PRO 351 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3kie s TYR 352 N 2.43 2.46 -2.23 6.00 5.04 -1.26 -4.84 117.35 124.95 3kie s TYR 352 Ca 0.93 0.69 0.19 0.00 -2.44 0.00 0.00 57.07 56.44 3kie s TYR 352 Cb -1.02 -4.30 0.12 0.00 0.35 0.00 0.00 41.96 37.11 3kie s TYR 352 CO 0.58 -1.89 1.07 1.55 -1.34 0.00 0.00 175.55 175.52 3kie n VAL 353 N 6.99 0.00 -2.14 3.14 3.14 -1.26 -4.96 118.33 123.24 3kie n VAL 353 Ca 0.16 -0.46 -0.27 0.00 -2.96 0.00 0.00 64.34 60.80 3kie n VAL 353 Cb 0.48 1.36 0.06 0.00 -1.06 0.00 0.00 33.84 34.68 3kie n VAL 353 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3kie s LEU 354 N -1.70 2.87 -0.77 6.55 1.43 -1.26 -4.32 118.68 121.47 3kie s LEU 354 Ca 0.21 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 53.98 3kie s LEU 354 Cb 0.16 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3kie s LEU 354 CO 0.28 -1.49 0.20 0.61 0.23 0.00 0.00 176.35 176.18 3kie n GLY 355 N -2.93 0.07 0.38 -3.19 0.00 -1.26 -4.76 105.19 93.50 3kie n GLY 355 Ca 0.07 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.76 3kie n GLY 355 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kie n SER 356 N -0.14 1.51 -1.37 1.61 7.64 -1.26 -4.94 113.62 116.67 3kie n SER 356 Ca -0.07 -2.84 -0.18 0.00 1.01 0.00 0.00 58.87 56.79 3kie n SER 356 Cb 0.57 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 3kie n SER 356 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kie n ALA 357 N -0.85 -0.27 -1.10 -0.43 0.00 -1.26 -4.97 120.51 111.63 3kie n ALA 357 Ca 0.11 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3kie n ALA 357 Cb 0.71 -1.84 0.14 0.00 0.00 0.00 0.00 19.45 18.46 3kie n ALA 357 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kie s HIS 358 N -2.66 2.20 0.38 0.00 4.02 -1.26 -5.05 115.29 112.92 3kie s HIS 358 Ca 0.00 1.35 0.05 0.00 1.02 0.00 0.00 55.06 57.48 3kie s HIS 358 Cb 0.00 -3.16 -0.00 0.00 -1.02 0.00 0.00 32.58 28.40 3kie s HIS 358 CO 0.00 -2.47 0.54 -0.65 1.02 0.00 0.00 174.74 173.18 3kie s GLN 359 N -4.86 3.04 0.00 1.40 -0.21 -1.26 -4.67 119.66 113.09 3kie s GLN 359 Ca 0.64 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 55.10 3kie s GLN 359 Cb -0.19 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.08 3kie s GLN 359 CO 0.58 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 3kie n GLY 360 N -1.80 1.28 0.61 3.09 0.00 -1.26 -4.90 105.19 102.21 3kie n GLY 360 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 3kie n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kie s LEU 362 N 0.00 4.61 0.29 0.00 1.43 -1.09 -4.95 118.68 118.98 3kie s LEU 362 Ca 0.12 1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 3kie s LEU 362 Cb -0.01 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.48 3kie s LEU 362 CO 0.10 0.10 1.44 -2.65 0.23 0.00 0.00 176.35 175.56 3kie n PRO 363 N 1.80 2.29 -0.18 1.29 -0.02 -1.26 -4.61 135.00 134.31 3kie n PRO 363 Ca -0.01 0.81 -0.03 0.00 -2.02 0.00 0.00 63.50 62.25 3kie n PRO 363 Cb 0.47 -2.49 0.07 0.00 -0.02 0.00 0.00 33.50 31.53 3kie n PRO 363 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kie h PRO 364 N 3.85 0.46 -6.00 0.52 0.11 -1.95 -3.40 132.00 125.60 3kie h PRO 364 Ca -0.46 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.05 3kie h PRO 364 Cb 1.26 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3kie h PRO 364 CO 0.72 0.31 0.18 0.12 -0.21 0.00 0.00 178.00 179.12 3kie s PHE 365 N -6.12 3.52 0.39 0.65 5.36 -1.26 -4.87 117.98 115.65 3kie s PHE 365 Ca -0.13 1.25 0.06 0.00 -0.96 0.00 0.00 56.93 57.15 3kie s PHE 365 Cb 0.15 -2.88 0.79 0.00 -0.34 0.00 0.00 43.02 40.74 3kie s PHE 365 CO 0.74 -0.03 2.03 -1.35 -1.46 0.00 0.00 175.22 175.15 3kie h PRO 366 N 6.98 0.64 0.00 10.12 0.11 -1.92 -2.41 132.00 145.52 3kie h PRO 366 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kie h PRO 366 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3kie h PRO 366 CO 0.78 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.99 3kie h ALA 367 N 1.68 1.00 -2.55 -0.75 0.00 -1.93 -3.44 119.26 113.26 3kie h ALA 367 Ca 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.63 3kie h ALA 367 Cb 0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kie h ALA 367 CO -0.05 0.00 0.42 -0.51 0.00 0.00 0.00 179.25 179.11 3kie s ASP 368 N -4.87 6.89 0.02 0.00 -0.00 -0.91 -5.02 116.67 112.78 3kie s ASP 368 Ca 0.05 2.06 -0.00 0.00 -0.00 0.00 0.00 52.55 54.65 3kie s ASP 368 Cb 0.09 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.38 3kie s ASP 368 CO 0.50 -0.40 0.13 -0.69 -0.00 0.00 0.00 175.17 174.71 3kie s VAL 369 N -1.57 5.00 0.14 -1.27 1.01 -1.26 -4.48 120.40 117.97 3kie s VAL 369 Ca 0.55 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.18 3kie s VAL 369 Cb -0.23 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3kie s VAL 369 CO 0.29 0.26 -0.14 0.72 0.00 0.00 0.00 175.10 176.24 3kie s PHE 370 N -1.33 1.43 -0.12 5.22 -0.12 -1.08 -5.00 117.98 116.98 3kie s PHE 370 Ca 0.28 -0.58 -0.13 0.00 -0.05 0.00 0.00 56.93 56.44 3kie s PHE 370 Cb -0.12 -0.73 -0.05 0.00 -0.63 0.00 0.00 43.02 41.49 3kie s PHE 370 CO 0.19 0.16 0.30 1.41 -0.05 0.00 0.00 175.22 177.24 3kie s MET 371 N -2.94 4.08 -0.18 1.99 -2.45 -1.26 -1.65 119.30 116.90 3kie s MET 371 Ca 0.12 0.14 -0.29 0.00 -1.25 0.00 0.00 55.69 54.40 3kie s MET 371 Cb -0.03 -3.35 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 3kie s MET 371 CO 0.03 0.40 1.25 0.08 1.05 0.00 0.00 175.02 177.83 3kie s VAL 372 N -0.03 4.29 1.18 10.11 1.01 0.23 -4.88 120.40 132.31 3kie s VAL 372 Ca 0.18 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.57 3kie s VAL 372 Cb -0.14 -4.03 0.26 0.00 0.00 0.00 0.00 36.38 32.47 3kie s VAL 372 CO 0.06 -0.16 0.77 -2.65 0.00 0.00 0.00 175.10 173.11 3kie n PRO 373 N 6.65 -2.40 -4.11 2.72 -0.02 -1.26 -4.75 135.00 131.84 3kie n PRO 373 Ca 0.14 -0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 60.63 3kie n PRO 373 Cb 0.45 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 3kie n PRO 373 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kie s GLN 374 N -4.16 2.92 -0.13 -0.52 0.74 -1.26 -2.65 119.66 114.60 3kie s GLN 374 Ca 0.66 -0.61 -0.22 0.00 0.05 0.00 0.00 55.36 55.23 3kie s GLN 374 Cb -0.22 -2.76 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 3kie s GLN 374 CO 0.66 0.60 0.68 -0.47 -0.55 0.00 0.00 175.29 176.21 3kie s TYR 375 N -1.27 3.49 -0.08 1.67 5.04 0.02 -4.88 117.35 121.34 3kie s TYR 375 Ca 0.25 1.12 -0.07 0.00 -2.44 0.00 0.00 57.07 55.94 3kie s TYR 375 Cb -0.12 -2.81 0.02 0.00 0.35 0.00 0.00 41.96 39.40 3kie s TYR 375 CO 0.17 -0.03 0.21 0.20 -1.34 0.00 0.00 175.55 174.76 3kie s GLY 376 N 0.96 -0.15 0.15 8.97 0.00 -1.26 -1.92 107.32 114.06 3kie s GLY 376 Ca 0.34 0.61 0.04 0.00 0.00 0.00 0.00 44.72 45.71 3kie s GLY 376 CO 0.14 0.56 -0.08 -2.52 0.00 0.00 0.00 173.10 171.20 3kie s TYR 377 N 0.20 1.24 0.35 1.90 -0.85 -1.10 -4.99 117.35 114.10 3kie s TYR 377 Ca -0.01 -0.81 0.08 0.00 -0.52 0.00 0.00 57.07 55.81 3kie s TYR 377 Cb -0.02 -0.65 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 3kie s TYR 377 CO -0.00 0.02 0.14 -0.51 -1.52 0.00 0.00 175.55 173.68 3kie s LEU 378 N -3.17 3.24 0.28 -3.49 1.43 -1.26 -2.17 118.68 113.54 3kie s LEU 378 Ca 0.18 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3kie s LEU 378 Cb 0.03 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3kie s LEU 378 CO 0.01 -0.33 0.32 -0.89 0.23 0.00 0.00 176.35 175.69 3kie s THR 379 N -2.45 0.00 0.25 5.49 2.01 -0.38 -4.94 115.64 115.62 3kie s THR 379 Ca 0.38 -1.80 -0.31 0.00 0.31 0.00 0.00 61.69 60.27 3kie s THR 379 Cb -0.02 -2.50 -0.13 0.00 0.01 0.00 0.00 72.50 69.87 3kie s THR 379 CO 0.23 0.00 1.47 -0.11 -0.69 0.00 0.00 174.62 175.51 3kie n LEU 380 N -0.46 3.42 -3.91 4.42 7.94 -1.26 -4.54 117.00 122.60 3kie n LEU 380 Ca 0.03 1.14 -0.10 0.00 -1.11 0.00 0.00 56.01 55.96 3kie n LEU 380 Cb 0.63 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 43.01 3kie n LEU 380 CO 0.30 -0.31 -0.24 0.54 -1.11 0.00 0.00 177.39 176.57 3kie s ASN 381 N 0.39 0.11 -0.81 1.96 2.20 -1.26 -3.97 114.94 113.56 3kie s ASN 381 Ca 0.68 -0.34 0.01 0.00 -0.94 0.00 0.00 52.86 52.28 3kie s ASN 381 Cb -0.61 0.17 0.21 0.00 -2.00 0.00 0.00 41.25 39.02 3kie s ASN 381 CO 0.48 -0.36 0.72 -3.20 -2.94 0.00 0.00 177.10 171.80 3kie n ASN 382 N 1.43 3.87 0.00 3.54 2.85 0.36 -4.89 115.26 122.42 3kie n ASN 382 Ca -0.23 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.03 3kie n ASN 382 Cb 0.56 -0.92 0.00 0.00 1.24 0.00 0.00 39.78 40.66 3kie n ASN 382 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kie n GLY 383 N 1.95 1.21 0.13 8.20 0.00 -1.26 -2.97 105.19 112.45 3kie n GLY 383 Ca 0.22 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3kie n GLY 383 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kie h SER 384 N 0.00 0.00 -2.79 1.61 4.64 -1.92 -3.28 113.55 111.82 3kie h SER 384 Ca 0.00 -0.05 -0.45 0.00 -0.47 0.00 0.00 61.79 60.81 3kie h SER 384 Cb 0.00 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.16 3kie h SER 384 CO 0.00 0.03 0.10 -1.10 -0.87 0.00 0.00 176.83 174.98 3kie s GLN 385 N -3.21 2.10 0.30 4.77 -0.21 -1.16 -4.61 119.66 117.64 3kie s GLN 385 Ca 0.06 -0.73 0.11 0.00 0.02 0.00 0.00 55.36 54.82 3kie s GLN 385 Cb 0.10 -2.33 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 3kie s GLN 385 CO 0.69 -1.15 -0.13 0.00 -2.12 0.00 0.00 175.29 172.58 3kie s ALA 386 N -3.06 2.89 0.42 6.09 0.00 -1.26 -0.48 121.76 126.36 3kie s ALA 386 Ca 0.62 -1.93 0.03 0.00 0.00 0.00 0.00 51.96 50.68 3kie s ALA 386 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3kie s ALA 386 CO 0.42 0.20 0.60 0.08 0.00 0.00 0.00 175.76 177.06 3kie s VAL 387 N -2.52 3.78 0.28 0.00 1.01 -1.25 -4.70 120.40 116.99 3kie s VAL 387 Ca 0.31 -0.75 0.37 0.00 0.00 0.00 0.00 61.98 61.91 3kie s VAL 387 Cb -0.03 -3.35 0.41 0.00 0.00 0.00 0.00 36.38 33.41 3kie s VAL 387 CO 0.16 -0.19 2.11 1.23 0.00 0.00 0.00 175.10 178.40 3kie h GLY 388 N 0.57 0.00 -0.19 4.51 0.00 -2.01 -2.51 103.07 103.44 3kie h GLY 388 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3kie h GLY 388 CO 0.54 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.62 3kie n ARG 389 N -3.09 1.48 -1.05 4.80 1.74 -1.26 -4.90 116.66 114.37 3kie n ARG 389 Ca -0.01 -0.71 -0.30 0.00 -0.77 0.00 0.00 57.85 56.06 3kie n ARG 389 Cb 0.23 -1.43 0.14 0.00 -1.02 0.00 0.00 32.46 30.39 3kie n ARG 389 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kie s SER 390 N -1.79 3.33 -0.06 0.55 0.01 -0.95 -4.91 113.70 109.88 3kie s SER 390 Ca 0.36 1.69 0.03 0.00 1.31 0.00 0.00 55.95 59.34 3kie s SER 390 Cb 0.19 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 64.09 3kie s SER 390 CO 0.30 -2.76 -0.13 -0.44 0.41 0.00 0.00 173.24 170.62 3kie s SER 391 N -3.18 1.82 -0.19 2.44 0.01 -1.26 -5.04 113.70 108.29 3kie s SER 391 Ca 0.64 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 57.54 3kie s SER 391 Cb -0.19 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 3kie s SER 391 CO 0.58 0.06 0.01 0.12 0.41 0.00 0.00 173.24 174.41 3kie s PHE 392 N 0.54 3.08 -0.12 2.43 5.36 -1.26 -4.91 117.98 123.09 3kie s PHE 392 Ca -0.12 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 3kie s PHE 392 Cb -0.15 -2.06 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 3kie s PHE 392 CO 0.03 -0.12 -0.17 0.71 -1.46 0.00 0.00 175.22 174.22 3kie s TYR 393 N 0.77 2.73 -0.26 10.12 1.51 -1.26 -5.10 117.35 125.87 3kie s TYR 393 Ca 0.01 -0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 55.25 3kie s TYR 393 Cb -0.14 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 3kie s TYR 393 CO 0.02 -0.28 -0.02 0.00 -1.11 0.00 0.00 175.55 174.16 3kie n LEU 395 N 4.75 0.00 0.17 0.00 4.32 -1.26 -2.06 117.00 122.92 3kie n LEU 395 Ca -0.16 0.15 0.12 0.00 -0.02 0.00 0.00 56.01 56.10 3kie n LEU 395 Cb 0.48 -0.15 0.13 0.00 -1.62 0.00 0.00 43.42 42.26 3kie n LEU 395 CO 0.29 -0.04 0.53 -0.33 -1.22 0.00 0.00 177.39 176.62 3kie h GLU 396 N 0.00 0.00 -0.36 3.23 4.39 -2.02 -3.15 114.58 116.67 3kie h GLU 396 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kie h GLU 396 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3kie h GLU 396 CO 0.00 0.00 0.00 0.98 -1.16 0.00 0.00 179.01 178.83 3kie n TYR 397 N -2.88 0.29 -4.47 4.33 4.19 -0.87 -4.73 117.16 113.02 3kie n TYR 397 Ca 0.03 -0.13 -0.34 0.00 3.31 0.00 0.00 57.90 60.77 3kie n TYR 397 Cb 0.53 -0.05 -0.12 0.00 0.49 0.00 0.00 39.34 40.19 3kie n TYR 397 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 3kie s PHE 398 N -1.68 3.01 0.08 2.98 0.40 -1.19 -5.08 117.98 116.51 3kie s PHE 398 Ca 0.12 -0.18 -0.31 0.00 -0.60 0.00 0.00 56.93 55.96 3kie s PHE 398 Cb 0.07 -1.87 -0.10 0.00 0.51 0.00 0.00 43.02 41.62 3kie s PHE 398 CO 0.07 0.11 1.88 -2.30 0.70 0.00 0.00 175.22 175.67 3kie n PRO 399 N 3.05 2.77 -4.21 0.24 -0.02 -1.26 -4.99 135.00 130.59 3kie n PRO 399 Ca -0.18 1.01 -0.18 0.00 -2.02 0.00 0.00 63.50 62.13 3kie n PRO 399 Cb 0.53 -2.92 -0.12 0.00 -0.02 0.00 0.00 33.50 30.96 3kie n PRO 399 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kie s SER 400 N 3.32 1.57 -0.16 2.55 1.04 -1.26 -4.82 113.70 115.93 3kie s SER 400 Ca 0.85 -0.56 -0.22 0.00 0.48 0.00 0.00 55.95 56.50 3kie s SER 400 Cb -0.48 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 3kie s SER 400 CO 0.40 -0.06 0.68 -1.58 0.98 0.00 0.00 173.24 173.65 3kie s GLN 401 N -1.53 4.27 -0.11 4.02 0.74 0.22 -4.86 119.66 122.42 3kie s GLN 401 Ca -0.02 0.74 -0.13 0.00 0.05 0.00 0.00 55.36 55.99 3kie s GLN 401 Cb -0.09 -3.55 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 3kie s GLN 401 CO 0.02 -0.18 0.32 -1.64 -0.55 0.00 0.00 175.29 173.25 3kie s MET 402 N 1.70 4.06 -0.06 1.67 -1.94 -1.26 -1.17 119.30 122.29 3kie s MET 402 Ca 0.32 0.18 0.05 0.00 -1.71 0.00 0.00 55.69 54.53 3kie s MET 402 Cb -0.16 -3.34 -0.00 0.00 2.01 0.00 0.00 34.83 33.34 3kie s MET 402 CO 0.12 0.43 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.84 3kie s LEU 403 N -0.14 1.98 0.62 -0.03 1.02 0.13 -4.90 118.68 117.36 3kie s LEU 403 Ca 0.19 -0.45 0.07 0.00 0.02 0.00 0.00 54.13 53.96 3kie s LEU 403 Cb -0.14 -1.20 0.10 0.00 0.02 0.00 0.00 46.19 44.98 3kie s LEU 403 CO 0.07 0.17 0.86 -0.60 0.02 0.00 0.00 176.35 176.87 3kie s ARG 404 N 0.10 2.11 -0.12 1.70 6.06 -1.26 -0.89 118.95 126.65 3kie s ARG 404 Ca -0.08 -1.56 -0.29 0.00 -2.50 0.00 0.00 55.73 51.29 3kie s ARG 404 Cb -0.14 -2.57 -0.05 0.00 0.06 0.00 0.00 34.95 32.25 3kie s ARG 404 CO 0.04 -1.05 1.71 0.99 -2.50 0.00 0.00 175.30 174.50 3kie s THR 405 N -2.80 3.53 0.00 4.11 2.01 -1.26 -1.42 115.64 119.81 3kie s THR 405 Ca 0.63 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.26 3kie s THR 405 Cb -0.05 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3kie s THR 405 CO 0.41 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 3kie n GLY 406 N 4.49 0.95 3.90 4.40 0.00 -1.26 -4.39 105.19 113.28 3kie n GLY 406 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3kie n GLY 406 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kie s ASN 407 N -1.78 6.49 0.13 1.61 0.01 -0.50 -3.43 114.94 117.46 3kie s ASN 407 Ca 0.00 0.75 0.01 0.00 -0.71 0.00 0.00 52.86 52.90 3kie s ASN 407 Cb 0.00 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 3kie s ASN 407 CO 0.00 -0.15 0.00 0.54 -1.51 0.00 0.00 177.10 175.98 3kie s ASN 408 N -2.94 0.84 -0.04 -1.22 4.22 -1.26 -4.60 114.94 109.94 3kie s ASN 408 Ca 0.44 -1.14 0.07 0.00 -2.14 0.00 0.00 52.86 50.09 3kie s ASN 408 Cb -0.11 0.18 -0.01 0.00 1.28 0.00 0.00 41.25 42.59 3kie s ASN 408 CO 0.28 -0.61 -0.25 0.12 -2.04 0.00 0.00 177.10 174.60 3kie s PHE 409 N -3.80 2.37 0.01 1.54 5.36 -0.16 -4.68 117.98 118.62 3kie s PHE 409 Ca 0.20 -0.60 0.06 0.00 -0.96 0.00 0.00 56.93 55.62 3kie s PHE 409 Cb 0.07 -1.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.18 3kie s PHE 409 CO 0.00 -0.14 -0.17 -1.14 -1.46 0.00 0.00 175.22 172.31 3kie s GLN 410 N -0.34 1.28 -0.27 10.12 2.00 -1.26 -1.30 119.66 129.88 3kie s GLN 410 Ca 0.02 -0.71 -0.16 0.00 -2.00 0.00 0.00 55.36 52.51 3kie s GLN 410 Cb -0.12 -1.29 0.08 0.00 0.80 0.00 0.00 33.01 32.48 3kie s GLN 410 CO 0.02 0.34 0.67 0.12 -0.50 0.00 0.00 175.29 175.94 3kie s PHE 411 N -0.58 -1.02 -0.05 1.67 2.19 -0.30 -5.00 117.98 114.89 3kie s PHE 411 Ca 0.06 2.07 0.05 0.00 0.33 0.00 0.00 56.93 59.43 3kie s PHE 411 Cb -0.07 0.60 -0.01 0.00 -1.31 0.00 0.00 43.02 42.23 3kie s PHE 411 CO 0.00 -0.51 -0.19 -1.12 1.83 0.00 0.00 175.22 175.23 3kie s SER 412 N 1.58 2.42 0.07 6.13 0.01 -1.26 0.25 113.70 122.90 3kie s SER 412 Ca -0.10 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 56.80 3kie s SER 412 Cb -0.05 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 3kie s SER 412 CO -0.19 0.18 -0.11 -0.47 0.41 0.00 0.00 173.24 173.07 3kie s TYR 413 N -0.04 1.00 -0.20 2.43 5.04 -0.79 -5.01 117.35 119.78 3kie s TYR 413 Ca -0.03 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 3kie s TYR 413 Cb -0.12 -0.56 0.05 0.00 0.35 0.00 0.00 41.96 41.68 3kie s TYR 413 CO 0.02 -0.00 -0.06 0.99 -1.34 0.00 0.00 175.55 175.16 3kie s THR 414 N -1.65 1.32 0.61 4.34 2.01 -1.26 -1.37 115.64 119.63 3kie s THR 414 Ca -0.02 -0.91 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 3kie s THR 414 Cb -0.08 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 3kie s THR 414 CO 0.01 0.03 1.21 0.49 -0.69 0.00 0.00 174.62 175.67 3kie n PHE 415 N 4.78 1.69 -2.11 4.92 3.01 -0.15 -5.02 117.46 124.58 3kie n PHE 415 Ca -0.12 0.43 -0.28 0.00 1.01 0.00 0.00 57.45 58.49 3kie n PHE 415 Cb 0.46 -2.25 0.18 0.00 -0.01 0.00 0.00 39.48 37.86 3kie n PHE 415 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3kie n GLU 416 N -1.39 -1.00 -2.35 -1.08 0.28 -1.26 -4.94 120.64 108.90 3kie n GLU 416 Ca 0.14 -2.26 -0.43 0.00 -0.16 0.00 0.00 57.16 54.45 3kie n GLU 416 Cb 0.47 -1.20 -0.02 0.00 1.43 0.00 0.00 31.44 32.12 3kie n GLU 416 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3kie s ASP 417 N -5.71 6.64 -0.04 -1.84 1.11 -1.26 -5.00 116.67 110.57 3kie s ASP 417 Ca 0.74 1.37 -0.01 0.00 0.18 0.00 0.00 52.55 54.83 3kie s ASP 417 Cb -0.02 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.46 3kie s ASP 417 CO 0.51 -1.08 0.06 0.54 1.18 0.00 0.00 175.17 176.38 3kie s VAL 418 N 4.45 -0.10 0.17 -1.27 0.11 -1.26 -5.09 120.40 117.41 3kie s VAL 418 Ca 0.60 0.31 -0.32 0.00 -2.93 0.00 0.00 61.98 59.64 3kie s VAL 418 Cb -0.19 -0.14 -0.16 0.00 -1.53 0.00 0.00 36.38 34.35 3kie s VAL 418 CO 0.24 0.13 1.00 -2.65 -3.33 0.00 0.00 175.10 170.48 3kie n PRO 419 N 4.73 0.77 -1.52 1.54 -0.02 -1.26 -4.90 135.00 134.34 3kie n PRO 419 Ca -0.16 0.27 -0.38 0.00 -2.02 0.00 0.00 63.50 61.21 3kie n PRO 419 Cb 0.50 -1.65 0.04 0.00 -0.02 0.00 0.00 33.50 32.37 3kie n PRO 419 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kie n PHE 420 N 1.03 -0.08 -2.18 6.00 3.01 -1.26 -4.96 117.46 119.01 3kie n PHE 420 Ca 0.16 0.46 -0.32 0.00 1.01 0.00 0.00 57.45 58.75 3kie n PHE 420 Cb 0.23 -2.03 -0.01 0.00 -0.01 0.00 0.00 39.48 37.65 3kie n PHE 420 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3kie s HIS 421 N -1.61 3.45 -0.95 1.38 5.65 -0.80 -4.86 115.29 117.54 3kie s HIS 421 Ca 0.70 1.42 -0.21 0.00 0.25 0.00 0.00 55.06 57.22 3kie s HIS 421 Cb -0.45 -2.80 0.09 0.00 -1.18 0.00 0.00 32.58 28.24 3kie s HIS 421 CO 0.52 -0.56 1.26 -1.12 -0.65 0.00 0.00 174.74 174.19 3kie s SER 422 N -3.38 6.53 -0.18 9.88 0.01 -1.26 -3.82 113.70 121.47 3kie s SER 422 Ca 0.58 -1.67 0.02 0.00 1.31 0.00 0.00 55.95 56.20 3kie s SER 422 Cb -0.11 -2.48 0.29 0.00 0.21 0.00 0.00 66.02 63.94 3kie s SER 422 CO 0.39 -1.31 1.35 -1.20 0.41 0.00 0.00 173.24 172.88 3kie n SER 423 N 7.73 3.29 -4.23 2.44 7.64 -0.67 -4.53 113.62 125.28 3kie n SER 423 Ca 0.26 -2.65 -0.13 0.00 1.01 0.00 0.00 58.87 57.35 3kie n SER 423 Cb 0.50 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 62.96 3kie n SER 423 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3kie s TYR 424 N -1.45 1.19 -0.00 1.43 -0.85 -1.24 -3.94 117.35 112.47 3kie s TYR 424 Ca 0.24 -1.07 0.02 0.00 -0.52 0.00 0.00 57.07 55.74 3kie s TYR 424 Cb 0.20 -0.68 -0.00 0.00 0.38 0.00 0.00 41.96 41.86 3kie s TYR 424 CO 0.05 -0.27 -0.06 0.00 -1.52 0.00 0.00 175.55 173.75 3kie s ALA 425 N -3.73 0.50 0.18 9.51 0.00 0.22 -4.76 121.76 123.68 3kie s ALA 425 Ca 0.25 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3kie s ALA 425 Cb 0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 3kie s ALA 425 CO 0.05 0.12 1.29 -1.01 0.00 0.00 0.00 175.76 176.20 3kie s HIS 426 N -0.14 3.30 -0.89 0.00 0.09 -1.25 -2.00 115.29 114.40 3kie s HIS 426 Ca 0.02 1.24 0.25 0.00 -0.00 0.00 0.00 55.06 56.58 3kie s HIS 426 Cb -0.02 -3.56 0.55 0.00 -0.00 0.00 0.00 32.58 29.54 3kie s HIS 426 CO -0.00 -1.75 1.45 -1.13 -0.00 0.00 0.00 174.74 173.31 3kie n SER 427 N 2.79 0.50 -4.86 1.40 3.41 -0.75 -4.88 113.62 111.22 3kie n SER 427 Ca 0.06 -0.05 -0.22 0.00 -0.26 0.00 0.00 58.87 58.41 3kie n SER 427 Cb 0.43 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3kie n SER 427 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kie s GLN 428 N -3.05 2.44 0.27 4.33 -0.21 -1.26 -5.06 119.66 117.12 3kie s GLN 428 Ca 0.10 -1.65 0.10 0.00 0.02 0.00 0.00 55.36 53.92 3kie s GLN 428 Cb 0.16 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.84 3kie s GLN 428 CO 0.68 -0.25 -0.15 0.45 -2.12 0.00 0.00 175.29 173.91 3kie s SER 429 N -4.12 3.24 0.13 5.90 0.15 -1.26 -4.85 113.70 112.89 3kie s SER 429 Ca 0.45 -1.08 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 3kie s SER 429 Cb -0.02 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 3kie s SER 429 CO 0.26 -0.12 1.72 -0.07 1.20 0.00 0.00 173.24 176.24 3kie h LEU 430 N 2.30 0.48 0.00 3.45 3.38 -1.91 -3.00 115.31 120.01 3kie h LEU 430 Ca -0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3kie h LEU 430 Cb 1.24 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3kie h LEU 430 CO 0.63 0.47 -0.38 -2.24 0.09 0.00 0.00 178.44 177.01 3kie h ASP 431 N 0.47 0.00 -2.06 -0.43 2.03 -1.96 -3.35 116.42 111.13 3kie h ASP 431 Ca 0.13 0.00 -0.74 0.00 -0.73 0.00 0.00 57.03 55.69 3kie h ASP 431 Cb 0.10 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 38.30 3kie h ASP 431 CO -0.02 0.04 0.63 0.54 -1.03 0.00 0.00 179.24 179.41 3kie n ARG 432 N -2.97 3.86 -0.03 4.15 5.12 -1.14 -4.60 116.66 121.06 3kie n ARG 432 Ca 0.02 -4.21 0.01 0.00 -1.93 0.00 0.00 57.85 51.75 3kie n ARG 432 Cb 0.56 -2.34 -0.10 0.00 -1.16 0.00 0.00 32.46 29.42 3kie n ARG 432 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3kie n LEU 433 N -0.33 0.00 0.00 0.55 -0.00 -1.21 -3.97 117.00 112.04 3kie n LEU 433 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 3kie n LEU 433 Cb 0.31 0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 3kie n LEU 433 CO 0.47 0.12 0.00 1.15 -0.00 0.00 0.00 177.39 179.13 3kie n MET 434 N -2.16 0.29 -3.48 1.96 0.00 -1.26 -5.03 117.12 107.45 3kie n MET 434 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.22 3kie n MET 434 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.69 3kie n MET 434 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3kie s ASN 435 N -1.06 6.18 0.57 3.17 3.84 -1.26 -4.97 114.94 121.41 3kie s ASN 435 Ca 0.00 0.19 0.37 0.00 0.21 0.00 0.00 52.86 53.64 3kie s ASN 435 Cb 0.00 -2.17 1.83 0.00 -0.55 0.00 0.00 41.25 40.36 3kie s ASN 435 CO 0.00 -0.11 2.12 -0.65 -2.79 0.00 0.00 177.10 175.67 3kie h PRO 436 N 8.12 0.00 0.00 0.43 0.11 -1.98 -3.27 132.00 135.42 3kie h PRO 436 Ca -0.34 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.39 3kie h PRO 436 Cb 1.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 3kie h PRO 436 CO 0.62 0.00 -2.44 1.28 -0.21 0.00 0.00 178.00 177.25 3kie n LEU 437 N -2.95 2.04 -4.88 2.35 4.32 -1.26 -4.65 117.00 111.97 3kie n LEU 437 Ca -0.01 -0.08 -0.30 0.00 -0.02 0.00 0.00 56.01 55.60 3kie n LEU 437 Cb 0.17 -0.47 -0.05 0.00 -1.62 0.00 0.00 43.42 41.45 3kie n LEU 437 CO 0.22 0.80 -0.17 -0.63 -1.22 0.00 0.00 177.39 176.38 3kie s ILE 438 N -2.51 5.11 0.24 -0.08 -1.09 -1.23 -4.91 121.20 116.73 3kie s ILE 438 Ca -0.27 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.55 3kie s ILE 438 Cb 0.08 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 3kie s ILE 438 CO 0.68 0.08 0.47 -1.81 -1.23 0.00 0.00 174.94 173.13 3kie s ASP 439 N -2.63 6.43 0.61 3.58 1.11 -1.26 -4.48 116.67 120.02 3kie s ASP 439 Ca 0.33 0.57 -0.15 0.00 0.18 0.00 0.00 52.55 53.49 3kie s ASP 439 Cb -0.12 -2.08 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 3kie s ASP 439 CO 0.26 -0.11 1.05 -1.10 1.18 0.00 0.00 175.17 176.45 3kie s GLN 440 N -3.38 3.29 0.00 8.23 -0.21 -0.36 -4.96 119.66 122.27 3kie s GLN 440 Ca 0.41 1.13 0.23 0.00 0.02 0.00 0.00 55.36 57.15 3kie s GLN 440 Cb -0.11 -2.03 0.51 0.00 1.00 0.00 0.00 33.01 32.38 3kie s GLN 440 CO 0.29 -0.83 1.44 2.48 -2.12 0.00 0.00 175.29 176.55 3kie n TYR 441 N -2.23 0.32 -3.38 0.91 4.11 -1.26 -4.35 117.16 111.28 3kie n TYR 441 Ca 0.08 -0.16 -0.28 0.00 -0.00 0.00 0.00 57.90 57.54 3kie n TYR 441 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.84 3kie n TYR 441 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3kie s LEU 442 N -1.61 4.07 0.05 -3.48 1.43 -1.26 -5.02 118.68 112.86 3kie s LEU 442 Ca 0.35 0.65 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 3kie s LEU 442 Cb 0.21 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 3kie s LEU 442 CO 0.30 -0.19 -0.24 -0.31 0.23 0.00 0.00 176.35 176.14 3kie s TYR 443 N -2.08 2.38 0.17 0.29 2.02 -1.26 -2.96 117.35 115.91 3kie s TYR 443 Ca 0.43 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.81 3kie s TYR 443 Cb -0.11 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 3kie s TYR 443 CO 0.30 0.16 -0.10 1.52 -1.57 0.00 0.00 175.55 175.87 3kie s TYR 444 N -0.84 1.38 -0.16 2.71 -0.85 -0.69 -4.98 117.35 113.92 3kie s TYR 444 Ca 0.13 -0.73 -0.16 0.00 -0.52 0.00 0.00 57.07 55.79 3kie s TYR 444 Cb -0.10 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 3kie s TYR 444 CO 0.03 0.13 0.38 -1.17 -1.52 0.00 0.00 175.55 173.40 3kie s LEU 445 N -3.21 4.23 0.00 -3.49 0.20 -1.26 -0.63 118.68 114.52 3kie s LEU 445 Ca 0.19 0.61 0.00 0.00 0.69 0.00 0.00 54.13 55.61 3kie s LEU 445 Cb 0.02 -2.51 0.00 0.00 -0.43 0.00 0.00 46.19 43.27 3kie s LEU 445 CO 0.02 0.02 0.02 -0.46 -0.29 0.00 0.00 176.35 175.66 3kie n ASN 446 N 3.84 0.04 -3.81 3.68 2.04 -1.13 -4.95 115.26 114.97 3kie n ASN 446 Ca -0.09 -0.34 -0.23 0.00 -0.44 0.00 0.00 54.58 53.48 3kie n ASN 446 Cb 0.52 0.56 -0.17 0.00 -2.53 0.00 0.00 39.78 38.15 3kie n ASN 446 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 3kie s ARG 447 N -0.56 0.74 -0.18 -3.83 1.81 -1.15 -5.02 118.95 110.77 3kie s ARG 447 Ca 0.00 0.03 0.11 0.00 -1.72 0.00 0.00 55.73 54.15 3kie s ARG 447 Cb 0.00 -1.01 -0.19 0.00 -0.45 0.00 0.00 34.95 33.31 3kie s ARG 447 CO 0.00 -0.25 -0.02 0.25 -0.68 0.00 0.00 175.30 174.59 3kie n THR 448 N 4.90 1.18 0.08 0.02 -2.24 -1.26 -1.65 114.28 115.31 3kie n THR 448 Ca -0.11 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3kie n THR 448 Cb 0.50 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 3kie n THR 448 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kie n GLN 449 N -2.78 0.00 -1.51 -0.78 10.64 -1.25 -2.15 117.38 119.54 3kie n GLN 449 Ca -0.31 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.56 3kie n GLN 449 Cb 1.00 -0.21 -0.15 0.00 -0.86 0.00 0.00 30.24 30.02 3kie n GLN 449 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kie n GLY 450 N 2.28 -0.37 0.00 2.61 0.00 -1.26 -3.85 105.19 104.60 3kie n GLY 450 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3kie n GLY 450 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kie n THR 451 N 7.02 0.00 -1.05 2.61 -1.04 -1.26 -4.93 114.28 115.63 3kie n THR 451 Ca 0.61 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 62.27 3kie n THR 451 Cb 0.18 -0.52 -0.11 0.00 -1.82 0.00 0.00 70.33 68.07 3kie n THR 451 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kie n THR 452 N 0.00 0.44 -2.21 12.58 -1.04 -1.26 -4.85 114.28 117.94 3kie n THR 452 Ca 0.00 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.05 61.17 3kie n THR 452 Cb 0.00 -2.06 -0.03 0.00 -1.82 0.00 0.00 70.33 66.42 3kie n THR 452 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3kie s SER 453 N 7.11 6.01 0.00 8.00 0.15 -1.26 -4.44 113.70 129.27 3kie s SER 453 Ca 0.71 0.81 0.00 0.00 0.70 0.00 0.00 55.95 58.17 3kie s SER 453 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3kie s SER 453 CO 0.25 -1.70 0.00 0.61 1.20 0.00 0.00 173.24 173.60 3kie n GLY 454 N 5.31 -1.95 3.51 9.45 0.00 -1.26 -5.08 105.19 115.17 3kie n GLY 454 Ca 0.18 0.55 -0.34 0.00 0.00 0.00 0.00 46.02 46.42 3kie n GLY 454 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kie s THR 455 N -0.93 3.81 -1.69 2.61 2.01 -1.26 -4.76 115.64 115.43 3kie s THR 455 Ca 0.00 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 3kie s THR 455 Cb 0.00 -2.64 0.14 0.00 0.01 0.00 0.00 72.50 70.02 3kie s THR 455 CO 0.00 0.52 0.62 0.41 -0.69 0.00 0.00 174.62 175.49 3kie n THR 456 N 3.19 -1.07 -3.72 -0.82 -1.04 -1.26 -4.89 114.28 104.66 3kie n THR 456 Ca -0.18 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.05 61.44 3kie n THR 456 Cb 0.53 -1.49 -0.11 0.00 -1.82 0.00 0.00 70.33 67.44 3kie n THR 456 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3kie n ASN 457 N -2.68 2.24 0.02 8.00 3.02 -1.26 -4.94 115.26 119.67 3kie n ASN 457 Ca -0.00 -3.04 -0.02 0.00 -0.03 0.00 0.00 54.58 51.49 3kie n ASN 457 Cb 0.53 -0.70 -0.01 0.00 -0.61 0.00 0.00 39.78 38.99 3kie n ASN 457 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3kie h GLN 458 N 5.27 -0.12 -3.07 3.52 -0.00 -1.90 -3.44 115.11 115.37 3kie h GLN 458 Ca 0.18 0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.74 3kie h GLN 458 Cb 0.78 0.03 -0.18 0.00 -0.00 0.00 0.00 27.48 28.11 3kie h GLN 458 CO 0.65 -0.08 -0.19 -1.54 -0.00 0.00 0.00 178.83 177.67 3kie s SER 459 N -4.24 -0.22 -0.27 0.06 1.04 -1.26 -4.62 113.70 104.18 3kie s SER 459 Ca -0.02 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.16 3kie s SER 459 Cb 0.00 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.58 3kie s SER 459 CO 0.05 -0.59 0.78 -0.60 0.98 0.00 0.00 173.24 173.87 3kie s ARG 460 N -2.12 0.76 -0.38 4.02 3.52 -0.91 -4.96 118.95 118.87 3kie s ARG 460 Ca -0.08 0.93 -0.26 0.00 -0.13 0.00 0.00 55.73 56.19 3kie s ARG 460 Cb -0.02 0.36 0.02 0.00 -1.56 0.00 0.00 34.95 33.74 3kie s ARG 460 CO -0.00 -0.09 0.94 -0.51 -0.81 0.00 0.00 175.30 174.83 3kie s LEU 461 N 0.44 3.97 -0.06 -0.88 1.43 -1.26 -3.86 118.68 118.47 3kie s LEU 461 Ca -0.00 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 3kie s LEU 461 Cb -0.05 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.89 3kie s LEU 461 CO -0.02 -0.90 -0.17 -0.76 0.23 0.00 0.00 176.35 174.73 3kie s LEU 462 N 3.56 1.86 0.07 1.79 1.43 -0.66 -5.06 118.68 121.67 3kie s LEU 462 Ca 0.39 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3kie s LEU 462 Cb -0.11 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 3kie s LEU 462 CO 0.20 0.12 -0.16 -0.36 0.23 0.00 0.00 176.35 176.38 3kie s PHE 463 N 0.27 2.60 0.08 0.29 0.08 -1.26 -2.84 117.98 117.20 3kie s PHE 463 Ca -0.09 -0.23 0.09 0.00 0.12 0.00 0.00 56.93 56.82 3kie s PHE 463 Cb -0.14 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 3kie s PHE 463 CO 0.04 0.32 -0.24 -1.12 -0.10 0.00 0.00 175.22 174.12 3kie s SER 464 N -1.71 2.88 -0.14 1.36 0.01 0.19 -4.94 113.70 111.34 3kie s SER 464 Ca 0.16 -0.65 -0.25 0.00 1.31 0.00 0.00 55.95 56.53 3kie s SER 464 Cb -0.11 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 3kie s SER 464 CO 0.08 0.16 0.80 -1.58 0.41 0.00 0.00 173.24 173.11 3kie s GLN 465 N -1.64 4.33 0.24 12.44 0.74 -1.26 -1.71 119.66 132.80 3kie s GLN 465 Ca 0.10 0.99 -0.31 0.00 0.05 0.00 0.00 55.36 56.19 3kie s GLN 465 Cb -0.10 -3.55 -0.13 0.00 1.10 0.00 0.00 33.01 30.33 3kie s GLN 465 CO 0.04 -0.24 1.39 0.00 -0.55 0.00 0.00 175.29 175.93 3kie n ALA 466 N 4.91 1.08 -2.39 1.58 0.00 -1.16 -4.90 120.51 119.64 3kie n ALA 466 Ca 0.03 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 3kie n ALA 466 Cb 0.49 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.59 3kie n ALA 466 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kie s GLY 467 N 0.24 2.37 0.62 0.00 0.00 -1.26 -1.22 107.32 108.07 3kie s GLY 467 Ca 0.67 -1.63 0.39 0.00 0.00 0.00 0.00 44.72 44.16 3kie s GLY 467 CO 0.51 -1.65 2.25 -2.55 0.00 0.00 0.00 173.10 171.66 3kie h PRO 468 N 2.02 0.00 -0.02 2.90 0.11 -1.82 -1.80 132.00 133.39 3kie h PRO 468 Ca -0.32 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.58 3kie h PRO 468 Cb 1.25 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.38 3kie h PRO 468 CO 0.49 0.01 -0.83 1.96 -0.21 0.00 0.00 178.00 179.42 3kie h GLN 469 N 0.00 0.59 -3.04 1.05 4.20 -1.94 -3.30 115.11 112.67 3kie h GLN 469 Ca -0.00 -0.62 -0.75 0.00 0.06 0.00 0.00 58.65 57.35 3kie h GLN 469 Cb 0.14 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 27.96 3kie h GLN 469 CO 0.00 1.23 2.29 -1.13 -0.67 0.00 0.00 178.83 180.55 3kie n SER 470 N -4.02 6.68 -0.04 1.46 3.41 -0.67 -4.78 113.62 115.66 3kie n SER 470 Ca -0.10 -3.11 -0.16 0.00 -0.26 0.00 0.00 58.87 55.24 3kie n SER 470 Cb 0.78 -1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.24 3kie n SER 470 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3kie h MET 471 N 5.15 0.68 -0.86 4.33 4.05 -1.65 -2.97 114.93 123.65 3kie h MET 471 Ca 0.56 -0.51 -0.15 0.00 -0.28 0.00 0.00 59.70 59.32 3kie h MET 471 Cb 0.45 0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 31.26 3kie h MET 471 CO 1.56 1.13 0.19 -1.13 0.23 0.00 0.00 176.91 178.90 3kie n SER 472 N -4.11 3.74 0.00 1.39 3.41 -1.26 -3.73 113.62 113.05 3kie n SER 472 Ca -0.07 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 3kie n SER 472 Cb 0.64 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3kie n SER 472 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kie n LEU 473 N -0.04 0.00 -4.73 1.04 4.77 -1.15 -5.09 117.00 111.79 3kie n LEU 473 Ca 0.27 -0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 3kie n LEU 473 Cb 1.03 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.20 3kie n LEU 473 CO 0.29 0.00 0.80 -1.10 -1.33 0.00 0.00 177.39 176.04 3kie s GLN 474 N -0.64 2.33 0.53 3.23 -0.21 -1.13 -4.96 119.66 118.81 3kie s GLN 474 Ca 0.00 1.72 -0.22 0.00 0.02 0.00 0.00 55.36 56.88 3kie s GLN 474 Cb 0.00 -1.86 -0.06 0.00 1.00 0.00 0.00 33.01 32.09 3kie s GLN 474 CO 0.00 -1.68 1.22 0.00 -2.12 0.00 0.00 175.29 172.71 3kie n ALA 475 N -2.54 1.08 -2.52 6.09 0.00 -1.26 -5.02 120.51 116.35 3kie n ALA 475 Ca 0.13 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 3kie n ALA 475 Cb 0.50 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 3kie n ALA 475 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kie s ARG 476 N -2.67 1.12 -0.01 0.00 6.06 -1.26 -5.05 118.95 117.15 3kie s ARG 476 Ca 0.70 -1.24 0.13 0.00 -2.50 0.00 0.00 55.73 52.83 3kie s ARG 476 Cb -0.44 -1.22 -0.17 0.00 0.06 0.00 0.00 34.95 33.18 3kie s ARG 476 CO 0.51 0.26 0.48 0.09 -2.50 0.00 0.00 175.30 174.13 3kie n ASN 477 N 0.73 1.05 -3.95 -2.12 3.02 -1.26 -5.05 115.26 107.68 3kie n ASN 477 Ca -0.17 -0.53 -0.09 0.00 -0.03 0.00 0.00 54.58 53.76 3kie n ASN 477 Cb 0.55 1.22 -0.09 0.00 -0.61 0.00 0.00 39.78 40.85 3kie n ASN 477 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3kie s TRP 478 N -2.50 0.26 0.32 3.10 0.52 -1.26 -4.98 118.94 114.40 3kie s TRP 478 Ca 0.02 -0.62 0.09 0.00 0.02 0.00 0.00 56.10 55.61 3kie s TRP 478 Cb 0.10 -0.18 -0.05 0.00 -1.15 0.00 0.00 33.47 32.18 3kie s TRP 478 CO 0.56 -0.38 -0.02 -0.51 0.02 0.00 0.00 176.95 176.62 3kie s LEU 479 N -2.33 2.96 0.94 2.99 2.01 -0.49 -5.00 118.68 119.75 3kie s LEU 479 Ca -0.02 -0.95 -0.12 0.00 0.01 0.00 0.00 54.13 53.04 3kie s LEU 479 Cb 0.01 -1.36 0.15 0.00 0.01 0.00 0.00 46.19 45.00 3kie s LEU 479 CO -0.06 -0.17 1.12 -2.84 1.01 0.00 0.00 176.35 175.41 3kie s PRO 480 N -3.68 0.90 0.94 1.29 0.02 -1.26 -1.76 135.00 131.45 3kie s PRO 480 Ca 0.34 0.35 -0.12 0.00 0.02 0.00 0.00 61.00 61.59 3kie s PRO 480 Cb -0.01 -1.81 0.16 0.00 0.02 0.00 0.00 34.50 32.86 3kie s PRO 480 CO 0.19 -2.37 1.09 0.20 -0.33 0.00 0.00 177.00 175.78 3kie s GLY 481 N -3.85 1.60 1.32 0.52 0.00 -0.72 -4.20 107.32 101.98 3kie s GLY 481 Ca 0.64 -0.12 -0.19 0.00 0.00 0.00 0.00 44.72 45.05 3kie s GLY 481 CO 0.55 0.41 0.83 -1.55 0.00 0.00 0.00 173.10 173.33 3kie n PRO 482 N -4.05 -3.62 -3.57 2.90 -0.04 -1.26 -4.52 135.00 120.84 3kie n PRO 482 Ca 0.06 -1.06 -0.12 0.00 -0.04 0.00 0.00 63.50 62.34 3kie n PRO 482 Cb 0.56 -1.97 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 3kie n PRO 482 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kie s TYR 484 N -3.16 -0.59 0.12 0.00 5.04 -1.26 -2.98 117.35 114.52 3kie s TYR 484 Ca -0.01 -0.52 -0.34 0.00 -2.44 0.00 0.00 57.07 53.75 3kie s TYR 484 Cb 0.00 -0.28 -0.17 0.00 0.35 0.00 0.00 41.96 41.86 3kie s TYR 484 CO -0.07 -1.00 1.05 -2.13 -1.34 0.00 0.00 175.55 172.05 3kie n ARG 485 N 4.43 0.64 -4.22 4.97 0.63 -1.08 -4.92 116.66 117.10 3kie n ARG 485 Ca 0.09 0.23 -0.24 0.00 -0.92 0.00 0.00 57.85 57.01 3kie n ARG 485 Cb 0.47 -1.66 -0.07 0.00 0.45 0.00 0.00 32.46 31.66 3kie n ARG 485 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3kie s GLN 486 N -0.29 2.46 0.34 -0.14 -1.52 0.11 -4.77 119.66 115.85 3kie s GLN 486 Ca 0.78 -1.20 -0.26 0.00 -1.95 0.00 0.00 55.36 52.72 3kie s GLN 486 Cb -0.99 -2.33 -0.09 0.00 -0.22 0.00 0.00 33.01 29.37 3kie s GLN 486 CO 0.54 0.41 1.00 -1.14 -0.25 0.00 0.00 175.29 175.85 3kie s GLN 487 N -3.36 4.47 -0.06 2.91 2.00 -1.26 -4.01 119.66 120.35 3kie s GLN 487 Ca 0.30 1.47 -0.23 0.00 -2.00 0.00 0.00 55.36 54.90 3kie s GLN 487 Cb -0.08 -2.80 -0.04 0.00 0.80 0.00 0.00 33.01 30.89 3kie s GLN 487 CO 0.20 0.15 0.70 0.50 -0.50 0.00 0.00 175.29 176.33 3kie s ARG 488 N -2.05 4.44 0.11 1.67 3.52 -1.26 0.83 118.95 126.20 3kie s ARG 488 Ca 0.51 0.88 0.09 0.00 -0.13 0.00 0.00 55.73 57.08 3kie s ARG 488 Cb -0.22 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3kie s ARG 488 CO 0.28 0.07 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.09 3kie s LEU 489 N 0.77 2.29 0.04 -0.88 1.02 -0.51 -4.87 118.68 116.55 3kie s LEU 489 Ca 0.37 -0.70 0.04 0.00 0.02 0.00 0.00 54.13 53.86 3kie s LEU 489 Cb -0.18 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.93 3kie s LEU 489 CO 0.18 0.13 -0.03 -0.55 0.02 0.00 0.00 176.35 176.11 3kie s SER 490 N -1.88 4.89 0.40 2.29 0.15 -1.26 -1.74 113.70 116.55 3kie s SER 490 Ca 0.10 -0.14 0.22 0.00 0.70 0.00 0.00 55.95 56.83 3kie s SER 490 Cb -0.10 -1.17 0.63 0.00 -1.71 0.00 0.00 66.02 63.67 3kie s SER 490 CO 0.05 0.23 1.70 0.11 1.20 0.00 0.00 173.24 176.53 3kie h LYS 491 N 3.98 0.00 -6.59 5.44 1.57 -1.94 -3.41 116.57 115.62 3kie h LYS 491 Ca -0.48 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.73 3kie h LYS 491 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 3kie h LYS 491 CO 0.57 0.28 0.95 0.99 -0.57 0.00 0.00 179.45 181.67 3kie s THR 492 N -3.42 4.17 -0.06 -0.16 2.01 -1.26 -4.90 115.64 112.03 3kie s THR 492 Ca 0.02 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.25 3kie s THR 492 Cb 0.09 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 68.14 3kie s THR 492 CO 0.67 -0.84 0.52 0.00 -0.69 0.00 0.00 174.62 174.28 3kie n ALA 493 N 7.91 2.02 -0.04 7.40 0.00 -1.26 -2.07 120.51 134.47 3kie n ALA 493 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3kie n ALA 493 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3kie n ALA 493 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kie n ASN 494 N 0.70 0.00 0.20 0.00 6.94 -1.26 -4.74 115.26 117.10 3kie n ASN 494 Ca 0.00 -0.08 0.08 0.00 -0.02 0.00 0.00 54.58 54.57 3kie n ASN 494 Cb 0.26 0.07 0.30 0.00 -2.36 0.00 0.00 39.78 38.05 3kie n ASN 494 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kie h ASP 495 N 0.00 0.00 -4.14 0.53 3.45 -1.79 -3.47 116.42 111.00 3kie h ASP 495 Ca 0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 3kie h ASP 495 Cb 0.02 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 38.85 3kie h ASP 495 CO 0.00 0.26 0.32 0.20 -1.57 0.00 0.00 179.24 178.45 3kie s ASN 496 N -6.25 5.64 0.25 6.45 0.01 -1.26 -5.02 114.94 114.76 3kie s ASN 496 Ca 0.03 1.01 -0.30 0.00 -0.71 0.00 0.00 52.86 52.89 3kie s ASN 496 Cb 0.09 -1.94 -0.09 0.00 0.41 0.00 0.00 41.25 39.72 3kie s ASN 496 CO 0.67 -1.15 1.26 0.21 -1.51 0.00 0.00 177.10 176.59 3kie s ASN 497 N -4.31 6.94 -1.24 -1.22 3.84 -1.26 -4.90 114.94 112.79 3kie s ASN 497 Ca 0.56 2.45 -0.09 0.00 0.21 0.00 0.00 52.86 55.99 3kie s ASN 497 Cb -0.11 -2.62 -0.07 0.00 -0.55 0.00 0.00 41.25 37.90 3kie s ASN 497 CO 0.49 -0.45 2.46 -3.20 -2.79 0.00 0.00 177.10 173.62 3kie n ASN 498 N 1.83 6.31 -3.68 -4.21 4.05 -1.26 -4.78 115.26 113.52 3kie n ASN 498 Ca 0.03 -2.49 -0.15 0.00 0.45 0.00 0.00 54.58 52.43 3kie n ASN 498 Cb 0.43 -1.33 -0.08 0.00 1.23 0.00 0.00 39.78 40.03 3kie n ASN 498 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3kie s SER 499 N 2.98 -0.40 -0.63 1.20 1.04 -1.26 -5.12 113.70 111.50 3kie s SER 499 Ca 0.54 0.50 -0.23 0.00 0.48 0.00 0.00 55.95 57.24 3kie s SER 499 Cb 0.14 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.88 3kie s SER 499 CO -0.04 -0.42 0.95 0.21 0.98 0.00 0.00 173.24 174.92 3kie s ASN 500 N -0.86 6.21 -0.16 7.02 2.47 -1.26 -4.89 114.94 123.47 3kie s ASN 500 Ca -0.09 -0.85 0.14 0.00 0.42 0.00 0.00 52.86 52.48 3kie s ASN 500 Cb -0.03 -2.42 0.38 0.00 -1.45 0.00 0.00 41.25 37.73 3kie s ASN 500 CO 0.05 -1.38 1.19 2.22 -3.72 0.00 0.00 177.10 175.46 3kie n PHE 501 N 7.62 0.00 1.71 0.43 1.16 -1.26 -4.76 117.46 122.36 3kie n PHE 501 Ca -0.03 -1.22 0.04 0.00 -1.87 0.00 0.00 57.45 54.37 3kie n PHE 501 Cb 0.46 -0.21 0.22 0.00 -1.61 0.00 0.00 39.48 38.34 3kie n PHE 501 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3kie n PRO 502 N -0.94 0.86 0.00 3.97 -0.02 -1.26 -2.71 135.00 134.90 3kie n PRO 502 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3kie n PRO 502 Cb 0.74 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 3kie n PRO 502 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3kie n TRP 503 N -0.64 0.00 1.17 6.00 -0.00 -1.26 -4.67 117.44 118.04 3kie n TRP 503 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.69 3kie n TRP 503 Cb 0.03 0.00 0.46 0.00 -0.00 0.00 0.00 31.31 31.79 3kie n TRP 503 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 3kie n THR 504 N -1.15 0.00 -0.58 5.87 -2.24 -1.25 -3.94 114.28 111.00 3kie n THR 504 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3kie n THR 504 Cb 0.00 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3kie n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kie n ALA 505 N -1.19 1.07 -2.32 6.98 0.00 -1.10 -5.07 120.51 118.88 3kie n ALA 505 Ca 0.10 -0.24 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 3kie n ALA 505 Cb 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 3kie n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kie s ALA 506 N -0.03 3.48 0.02 0.00 0.00 -1.24 -4.77 121.76 119.21 3kie s ALA 506 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 3kie s ALA 506 Cb 0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 3kie s ALA 506 CO 0.00 0.38 1.30 -1.12 0.00 0.00 0.00 175.76 176.32 3kie s SER 507 N -2.49 6.96 0.09 0.00 0.01 -1.26 -4.95 113.70 112.06 3kie s SER 507 Ca 0.49 2.05 -0.05 0.00 1.31 0.00 0.00 55.95 59.75 3kie s SER 507 Cb -0.11 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 3kie s SER 507 CO 0.22 -0.61 0.12 -1.59 0.41 0.00 0.00 173.24 171.79 3kie s LYS 508 N 1.79 0.82 0.36 12.44 -2.85 -1.26 -2.43 119.74 128.62 3kie s LYS 508 Ca 0.61 -1.13 0.07 0.00 -1.00 0.00 0.00 55.97 54.52 3kie s LYS 508 Cb -0.30 0.29 -0.07 0.00 -2.06 0.00 0.00 37.83 35.69 3kie s LYS 508 CO 0.27 -0.24 -0.03 1.52 0.10 0.00 0.00 175.35 176.97 3kie s TYR 509 N -3.92 2.35 -0.05 1.78 -0.85 0.14 -4.84 117.35 111.96 3kie s TYR 509 Ca 0.10 -0.65 -0.03 0.00 -0.52 0.00 0.00 57.07 55.96 3kie s TYR 509 Cb 0.06 -1.52 0.02 0.00 0.38 0.00 0.00 41.96 40.90 3kie s TYR 509 CO -0.07 0.42 0.13 -3.38 -1.52 0.00 0.00 175.55 171.13 3kie s HIS 510 N -2.78 -0.14 -0.04 -3.49 -3.43 -1.26 0.42 115.29 104.57 3kie s HIS 510 Ca 0.34 0.39 0.03 0.00 -0.80 0.00 0.00 55.06 55.02 3kie s HIS 510 Cb 0.07 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.20 3kie s HIS 510 CO 0.17 -0.11 -0.14 -0.51 -2.00 0.00 0.00 174.74 172.14 3kie s LEU 511 N 0.59 1.84 -1.74 5.38 1.43 -0.73 -4.73 118.68 120.72 3kie s LEU 511 Ca -0.04 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3kie s LEU 511 Cb -0.06 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3kie s LEU 511 CO -0.03 0.11 0.00 -3.20 0.23 0.00 0.00 176.35 173.46 3kie n ASN 512 N 3.29 -5.40 -0.57 2.29 2.85 -1.26 -1.28 115.26 115.19 3kie n ASN 512 Ca -0.19 0.14 -0.05 0.00 -0.11 0.00 0.00 54.58 54.37 3kie n ASN 512 Cb 0.53 -4.48 -0.01 0.00 1.24 0.00 0.00 39.78 37.06 3kie n ASN 512 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kie n GLY 513 N -0.90 0.28 2.96 8.20 0.00 -1.26 -5.03 105.19 109.43 3kie n GLY 513 Ca -0.21 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 3kie n GLY 513 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kie s ARG 514 N -3.91 1.86 0.21 1.61 3.52 -0.40 -5.06 118.95 116.79 3kie s ARG 514 Ca 0.00 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 3kie s ARG 514 Cb 0.00 -2.23 -0.09 0.00 -1.56 0.00 0.00 34.95 31.07 3kie s ARG 514 CO 0.00 -0.40 1.32 -0.51 -0.81 0.00 0.00 175.30 174.90 3kie s ASP 515 N 1.49 6.86 -0.02 -2.12 1.01 -1.26 -1.77 116.67 120.86 3kie s ASP 515 Ca 0.00 2.45 0.01 0.00 0.71 0.00 0.00 52.55 55.72 3kie s ASP 515 Cb -0.15 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.18 3kie s ASP 515 CO -0.08 -0.55 -0.01 -0.44 0.21 0.00 0.00 175.17 174.30 3kie s SER 516 N 0.28 0.36 -0.06 0.27 0.01 0.17 -4.87 113.70 109.86 3kie s SER 516 Ca 0.56 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.49 3kie s SER 516 Cb -0.37 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 3kie s SER 516 CO 0.40 -0.04 1.22 -0.22 0.41 0.00 0.00 173.24 175.01 3kie s LEU 517 N 0.50 4.27 -1.16 2.44 2.96 -1.26 -0.69 118.68 125.75 3kie s LEU 517 Ca -0.05 1.83 -0.21 0.00 -0.22 0.00 0.00 54.13 55.48 3kie s LEU 517 Cb -0.08 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3kie s LEU 517 CO -0.01 -0.61 1.78 -0.69 -1.32 0.00 0.00 176.35 175.50 3kie s VAL 518 N 2.34 3.81 0.00 1.68 1.01 -1.02 -4.86 120.40 123.37 3kie s VAL 518 Ca 0.56 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3kie s VAL 518 Cb -0.25 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.31 3kie s VAL 518 CO 0.22 -1.54 0.29 -3.20 0.00 0.00 0.00 175.10 170.86 3kie n ASN 519 N 11.12 0.00 -4.45 3.32 5.15 -1.26 -4.23 115.26 124.90 3kie n ASN 519 Ca 0.44 0.29 -0.44 0.00 -0.60 0.00 0.00 54.58 54.27 3kie n ASN 519 Cb 0.47 -0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.69 3kie n ASN 519 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3kie s PRO 520 N -0.59 3.70 0.00 1.20 0.05 -1.26 -4.36 135.00 133.74 3kie s PRO 520 Ca 0.00 -1.95 0.00 0.00 0.05 0.00 0.00 61.00 59.10 3kie s PRO 520 Cb 0.00 -4.93 0.00 0.00 0.05 0.00 0.00 34.50 29.62 3kie s PRO 520 CO 0.00 -1.76 0.00 0.41 0.05 0.00 0.00 177.00 175.70 3kie n GLY 521 N 5.18 -2.38 3.34 0.56 0.00 -1.26 -4.72 105.19 105.90 3kie n GLY 521 Ca 0.26 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 3kie n GLY 521 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kie n PRO 522 N -0.77 0.09 -2.08 1.61 -0.02 -1.26 -4.80 135.00 127.77 3kie n PRO 522 Ca 0.00 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3kie n PRO 522 Cb 0.00 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3kie n PRO 522 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kie s ALA 523 N -2.04 2.82 0.14 3.55 0.00 -1.26 -4.93 121.76 120.04 3kie s ALA 523 Ca 0.58 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.66 3kie s ALA 523 Cb -0.31 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 3kie s ALA 523 CO 0.66 -2.74 -0.14 -1.64 0.00 0.00 0.00 175.76 171.90 3kie s MET 524 N 5.67 1.10 0.34 0.00 -1.94 -1.26 -4.70 119.30 118.51 3kie s MET 524 Ca 0.74 -1.33 -0.28 0.00 -1.71 0.00 0.00 55.69 53.12 3kie s MET 524 Cb -0.19 -0.96 -0.09 0.00 2.01 0.00 0.00 34.83 35.59 3kie s MET 524 CO 0.32 0.18 1.19 0.00 -0.01 0.00 0.00 175.02 176.70 3kie s ALA 525 N -2.34 3.35 0.06 3.03 0.00 -0.11 -4.60 121.76 121.14 3kie s ALA 525 Ca 0.12 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 3kie s ALA 525 Cb -0.04 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 3kie s ALA 525 CO 0.04 -0.45 1.35 0.77 0.00 0.00 0.00 175.76 177.47 3kie h SER 526 N 3.24 0.56 -5.07 0.00 0.02 -1.87 0.43 113.55 110.88 3kie h SER 526 Ca -0.48 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 59.87 3kie h SER 526 Cb 1.22 -0.16 -0.16 0.00 0.14 0.00 0.00 62.40 63.44 3kie h SER 526 CO 0.65 0.96 -0.26 -1.38 -1.14 0.00 0.00 176.83 175.65 3kie s HIS 527 N -4.22 -0.07 0.83 3.45 -3.43 -1.26 -4.24 115.29 106.35 3kie s HIS 527 Ca -0.13 -0.11 -0.10 0.00 -0.80 0.00 0.00 55.06 53.92 3kie s HIS 527 Cb 0.07 0.08 0.14 0.00 -1.43 0.00 0.00 32.58 31.43 3kie s HIS 527 CO 0.79 -0.51 1.17 -1.59 -2.00 0.00 0.00 174.74 172.60 3kie s LYS 528 N -2.75 1.40 0.45 -0.38 -2.85 -1.26 -4.96 119.74 109.39 3kie s LYS 528 Ca -0.04 -0.44 -0.25 0.00 -1.00 0.00 0.00 55.97 54.25 3kie s LYS 528 Cb -0.00 -2.03 -0.08 0.00 -2.06 0.00 0.00 37.83 33.66 3kie s LYS 528 CO -0.05 -1.83 1.35 -0.51 0.10 0.00 0.00 175.35 174.41 3kie s ASP 529 N -4.73 5.93 -0.80 0.03 1.01 -1.26 -3.52 116.67 113.33 3kie s ASP 529 Ca 0.68 2.76 -0.03 0.00 0.71 0.00 0.00 52.55 56.66 3kie s ASP 529 Cb -0.07 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3kie s ASP 529 CO 0.49 -1.12 0.41 0.47 0.21 0.00 0.00 175.17 175.63 3kie n ASP 530 N -0.26 -4.09 0.00 0.27 8.00 -1.26 -4.92 116.55 114.29 3kie n ASP 530 Ca 0.06 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3kie n ASP 530 Cb 0.43 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 3kie n ASP 530 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kie n GLU 531 N -2.60 0.00 -2.64 -1.24 1.02 -1.23 -5.03 120.64 108.91 3kie n GLU 531 Ca -0.04 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.89 3kie n GLU 531 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 3kie n GLU 531 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3kie n GLU 532 N -1.52 -2.80 0.00 3.49 4.07 -1.26 -4.73 120.64 117.90 3kie n GLU 532 Ca 0.00 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 57.99 3kie n GLU 532 Cb 0.00 -5.61 0.00 0.00 -0.06 0.00 0.00 31.44 25.77 3kie n GLU 532 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3kie n LYS 533 N -3.32 2.96 -3.18 5.31 2.85 -1.26 -5.04 118.16 116.48 3kie n LYS 533 Ca -0.18 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.65 3kie n LYS 533 Cb 0.65 -0.53 -0.07 0.00 -0.65 0.00 0.00 35.03 34.43 3kie n LYS 533 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kie s PHE 534 N -0.59 3.11 0.11 5.58 0.40 -1.26 -3.09 117.98 122.25 3kie s PHE 534 Ca 0.00 -0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 3kie s PHE 534 Cb 0.00 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 3kie s PHE 534 CO 0.00 -0.76 0.09 -0.59 0.70 0.00 0.00 175.22 174.66 3kie s PHE 535 N 2.58 3.15 0.50 0.36 -0.12 -0.71 -4.34 117.98 119.41 3kie s PHE 535 Ca 0.20 0.03 -0.21 0.00 -0.05 0.00 0.00 56.93 56.89 3kie s PHE 535 Cb -0.15 -1.57 -0.07 0.00 -0.63 0.00 0.00 43.02 40.60 3kie s PHE 535 CO 0.17 0.52 1.16 -2.14 -0.05 0.00 0.00 175.22 174.87 3kie s PRO 536 N -2.65 3.55 -0.51 1.99 0.02 -1.26 -1.42 135.00 134.71 3kie s PRO 536 Ca 0.30 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.73 3kie s PRO 536 Cb -0.11 -2.22 -0.11 0.00 0.02 0.00 0.00 34.50 32.07 3kie s PRO 536 CO 0.22 -0.71 2.37 -0.12 -0.33 0.00 0.00 177.00 178.44 3kie n MET 537 N -0.87 0.94 -3.76 5.54 0.00 0.24 -2.14 117.12 117.07 3kie n MET 537 Ca 0.09 0.15 -0.29 0.00 -0.00 0.00 0.00 57.70 57.66 3kie n MET 537 Cb 0.49 -2.70 -0.02 0.00 0.00 0.00 0.00 33.22 30.99 3kie n MET 537 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 175.97 173.58 3kie n HIS 538 N 12.32 -1.70 0.59 1.12 1.44 -1.26 -4.69 115.22 123.05 3kie n HIS 538 Ca 0.44 0.57 0.02 0.00 -2.01 0.00 0.00 57.72 56.74 3kie n HIS 538 Cb 0.32 -2.59 0.11 0.00 0.12 0.00 0.00 29.99 27.95 3kie n HIS 538 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kie n GLY 539 N -1.16 1.66 3.60 -1.39 0.00 -0.91 -4.22 105.19 102.77 3kie n GLY 539 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3kie n GLY 539 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kie s ASN 540 N -0.31 -0.19 0.04 1.61 4.22 -1.26 -4.87 114.94 114.19 3kie s ASN 540 Ca 0.15 -0.10 -0.30 0.00 -2.14 0.00 0.00 52.86 50.47 3kie s ASN 540 Cb 0.11 0.27 -0.04 0.00 1.28 0.00 0.00 41.25 42.87 3kie s ASN 540 CO 0.05 -0.47 1.05 -0.76 -2.04 0.00 0.00 177.10 174.93 3kie s LEU 541 N -2.56 4.39 -0.16 3.54 1.02 -1.26 -4.89 118.68 118.76 3kie s LEU 541 Ca 0.10 1.81 -0.00 0.00 0.02 0.00 0.00 54.13 56.05 3kie s LEU 541 Cb 0.00 -3.58 -0.00 0.00 0.02 0.00 0.00 46.19 42.63 3kie s LEU 541 CO -0.05 -0.30 -0.13 -0.63 0.02 0.00 0.00 176.35 175.26 3kie s ILE 542 N 0.82 2.80 -0.10 -0.59 1.01 -1.26 -3.14 121.20 120.74 3kie s ILE 542 Ca 0.53 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 3kie s ILE 542 Cb -0.24 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3kie s ILE 542 CO 0.29 0.50 0.12 -0.36 0.00 0.00 0.00 174.94 175.49 3kie s PHE 543 N 0.87 3.50 -0.04 3.97 0.40 -0.12 -4.91 117.98 121.65 3kie s PHE 543 Ca -0.04 0.43 -0.20 0.00 -0.60 0.00 0.00 56.93 56.53 3kie s PHE 543 Cb -0.15 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 3kie s PHE 543 CO -0.01 0.67 0.56 0.20 0.70 0.00 0.00 175.22 177.35 3kie s GLY 544 N -1.13 2.55 0.94 4.36 0.00 -1.26 0.20 107.32 112.97 3kie s GLY 544 Ca 0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.74 3kie s GLY 544 CO 0.06 0.76 1.11 0.54 0.00 0.00 0.00 173.10 175.56 3kie s LYS 545 N 0.06 0.82 0.24 2.90 1.02 -1.05 -4.93 119.74 118.80 3kie s LYS 545 Ca 0.30 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 57.25 3kie s LYS 545 Cb -0.17 -1.73 -0.10 0.00 -0.52 0.00 0.00 37.83 35.31 3kie s LYS 545 CO 0.15 -2.67 1.51 -2.00 -0.92 0.00 0.00 175.35 171.41 3kie s GLU 546 N -4.68 4.22 -0.29 1.68 2.56 -1.26 -3.99 118.70 116.94 3kie s GLU 546 Ca 0.66 2.38 -0.11 0.00 0.00 0.00 0.00 54.97 57.90 3kie s GLU 546 Cb -0.22 -3.10 0.01 0.00 2.00 0.00 0.00 34.13 32.83 3kie s GLU 546 CO 0.59 -0.51 0.40 0.41 -0.56 0.00 0.00 175.26 175.59 3kie n GLY 547 N 2.55 -1.16 3.47 -1.50 0.00 -1.26 -5.08 105.19 102.20 3kie n GLY 547 Ca 0.09 0.81 0.01 0.00 0.00 0.00 0.00 46.02 46.93 3kie n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kie s THR 548 N -2.07 -0.89 0.69 2.61 2.01 -1.26 -5.16 115.64 111.57 3kie s THR 548 Ca 0.17 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 3kie s THR 548 Cb -0.05 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 3kie s THR 548 CO 0.52 0.00 0.46 0.41 -0.69 0.00 0.00 174.62 175.32 3kie n THR 549 N 5.37 1.75 0.99 -0.82 -1.04 -1.26 -4.87 114.28 114.40 3kie n THR 549 Ca -0.09 -0.43 0.14 0.00 -2.04 0.00 0.00 64.05 61.63 3kie n THR 549 Cb 0.50 -0.67 0.61 0.00 -1.82 0.00 0.00 70.33 68.95 3kie n THR 549 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kie n ALA 550 N -2.19 2.29 -3.57 2.41 0.00 -1.26 -4.55 120.51 113.64 3kie n ALA 550 Ca 0.10 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3kie n ALA 550 Cb 0.49 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 3kie n ALA 550 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kie s SER 551 N -2.96 4.73 -0.59 0.00 0.15 -1.26 -4.84 113.70 108.92 3kie s SER 551 Ca 0.15 -1.02 -0.21 0.00 0.70 0.00 0.00 55.95 55.57 3kie s SER 551 Cb 0.18 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.79 3kie s SER 551 CO 0.50 -0.20 0.64 0.59 1.20 0.00 0.00 173.24 175.97 3kie n ASN 552 N 4.69 -5.86 -4.96 5.45 5.03 -1.26 -4.99 115.26 113.36 3kie n ASN 552 Ca -0.15 -0.30 -0.22 0.00 0.87 0.00 0.00 54.58 54.78 3kie n ASN 552 Cb 0.46 -2.52 0.02 0.00 -1.02 0.00 0.00 39.78 36.71 3kie n ASN 552 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kie s ALA 553 N -2.24 3.86 0.69 5.41 0.00 -1.26 -5.05 121.76 123.18 3kie s ALA 553 Ca 0.21 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 3kie s ALA 553 Cb -0.03 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.03 3kie s ALA 553 CO 0.86 -0.47 1.06 -2.00 0.00 0.00 0.00 175.76 175.21 3kie s GLU 554 N -4.59 2.96 0.45 0.00 2.56 -1.26 -4.95 118.70 113.88 3kie s GLU 554 Ca 0.51 0.95 0.18 0.00 0.00 0.00 0.00 54.97 56.61 3kie s GLU 554 Cb -0.10 -1.99 1.06 0.00 2.00 0.00 0.00 34.13 35.10 3kie s GLU 554 CO 0.37 -1.08 1.97 1.25 -0.56 0.00 0.00 175.26 177.22 3kie h LEU 555 N -0.68 0.00 -0.75 2.70 5.85 -1.98 -1.70 115.31 118.75 3kie h LEU 555 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3kie h LEU 555 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3kie h LEU 555 CO 0.57 0.21 0.00 0.47 -0.34 0.00 0.00 178.44 179.35 3kie n ASP 556 N -4.08 1.10 -0.41 1.25 8.00 -1.26 -3.38 116.55 117.77 3kie n ASP 556 Ca -0.02 -1.88 0.04 0.00 0.71 0.00 0.00 54.79 53.64 3kie n ASP 556 Cb 0.28 -0.12 0.07 0.00 -0.02 0.00 0.00 41.12 41.33 3kie n ASP 556 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kie n ASN 557 N 0.05 2.09 -4.34 -2.24 3.02 -0.64 -5.02 115.26 108.17 3kie n ASN 557 Ca 0.09 -1.59 -0.18 0.00 -0.03 0.00 0.00 54.58 52.87 3kie n ASN 557 Cb 0.19 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 3kie n ASN 557 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kie s VAL 558 N -0.83 1.55 -0.28 2.41 -7.23 -1.22 -2.52 120.40 112.29 3kie s VAL 558 Ca 0.13 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 3kie s VAL 558 Cb 0.08 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.98 3kie s VAL 558 CO 0.11 -0.55 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.24 3kie s MET 559 N -3.70 2.18 -0.06 4.82 -1.94 0.13 -4.91 119.30 115.81 3kie s MET 559 Ca 0.23 -1.40 -0.17 0.00 -1.71 0.00 0.00 55.69 52.64 3kie s MET 559 Cb 0.01 -2.97 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 3kie s MET 559 CO 0.07 -0.62 0.45 0.42 -0.01 0.00 0.00 175.02 175.32 3kie s ILE 560 N 1.10 5.10 -0.07 2.53 1.01 -1.26 -0.95 121.20 128.66 3kie s ILE 560 Ca -0.06 0.90 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 3kie s ILE 560 Cb -0.20 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3kie s ILE 560 CO -0.05 0.44 0.41 0.42 0.00 0.00 0.00 174.94 176.17 3kie s THR 561 N -0.15 5.13 -0.28 2.92 -4.23 -1.19 -5.01 115.64 112.84 3kie s THR 561 Ca 0.25 0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 61.48 3kie s THR 561 Cb -0.16 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 69.90 3kie s THR 561 CO 0.12 0.46 0.19 -0.62 -0.54 0.00 0.00 174.62 174.23 3kie s ASP 562 N -0.23 6.01 -1.06 3.99 2.15 -1.26 -4.78 116.67 121.48 3kie s ASP 562 Ca 0.23 -0.03 -0.03 0.00 0.43 0.00 0.00 52.55 53.15 3kie s ASP 562 Cb -0.16 -2.12 0.31 0.00 -0.30 0.00 0.00 42.92 40.66 3kie s ASP 562 CO 0.11 -0.06 1.50 -0.62 -0.17 0.00 0.00 175.17 175.93 3kie n GLU 563 N 5.06 4.53 -0.56 4.34 -0.58 -1.26 -4.76 120.64 127.42 3kie n GLU 563 Ca -0.14 -4.57 0.05 0.00 -0.42 0.00 0.00 57.16 52.07 3kie n GLU 563 Cb 0.52 -2.50 0.25 0.00 -0.57 0.00 0.00 31.44 29.14 3kie n GLU 563 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3kie n GLU 564 N 1.17 2.71 -0.01 3.49 0.28 -1.26 -2.85 120.64 124.17 3kie n GLU 564 Ca 0.28 -2.93 0.08 0.00 -0.16 0.00 0.00 57.16 54.43 3kie n GLU 564 Cb 0.33 -1.86 -0.12 0.00 1.43 0.00 0.00 31.44 31.22 3kie n GLU 564 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kie n GLU 565 N -0.64 0.87 -0.98 3.44 4.71 -1.26 -4.42 120.64 122.36 3kie n GLU 565 Ca 0.25 -0.10 -0.02 0.00 -0.01 0.00 0.00 57.16 57.28 3kie n GLU 565 Cb 0.96 -1.36 0.34 0.00 -1.01 0.00 0.00 31.44 30.37 3kie n GLU 565 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 3kie n ILE 566 N -1.85 2.85 0.27 -3.67 -5.35 -1.26 -4.48 119.36 105.86 3kie n ILE 566 Ca -0.01 -1.52 0.12 0.00 -0.27 0.00 0.00 62.75 61.07 3kie n ILE 566 Cb 0.38 -0.34 0.76 0.00 -1.74 0.00 0.00 39.64 38.70 3kie n ILE 566 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3kie h ARG 567 N 3.10 0.00 0.00 6.28 3.08 -1.82 -1.19 114.38 123.83 3kie h ARG 567 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3kie h ARG 567 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.26 3kie h ARG 567 CO 0.66 0.06 -0.41 1.79 -1.07 0.00 0.00 179.97 181.00 3kie h THR 568 N 0.00 0.00 0.00 2.04 1.35 -1.89 -3.35 112.91 111.06 3kie h THR 568 Ca -0.00 -0.59 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3kie h THR 568 Cb 0.14 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3kie h THR 568 CO 0.01 0.00 -1.01 0.35 -0.25 0.00 0.00 175.52 174.62 3kie n THR 569 N -2.32 0.00 -4.67 6.82 -2.24 -1.11 -2.83 114.28 107.93 3kie n THR 569 Ca 0.04 -0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 3kie n THR 569 Cb 0.46 0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.74 3kie n THR 569 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3kie s ASN 570 N -2.23 3.69 0.58 3.42 0.02 -0.47 -1.76 114.94 118.20 3kie s ASN 570 Ca -0.00 -0.47 -0.18 0.00 -1.02 0.00 0.00 52.86 51.19 3kie s ASN 570 Cb 0.00 -0.54 -0.04 0.00 0.02 0.00 0.00 41.25 40.69 3kie s ASN 570 CO 0.01 0.25 1.13 -2.84 0.02 0.00 0.00 177.10 175.66 3kie s PRO 571 N -1.47 3.18 0.15 -0.60 0.02 -1.26 -4.49 135.00 130.54 3kie s PRO 571 Ca 0.14 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.43 3kie s PRO 571 Cb -0.10 -1.99 -0.08 0.00 0.02 0.00 0.00 34.50 32.35 3kie s PRO 571 CO 0.05 -0.98 1.28 0.08 -0.33 0.00 0.00 177.00 177.10 3kie s VAL 572 N -1.91 3.46 0.22 3.83 1.01 -1.26 -0.94 120.40 124.81 3kie s VAL 572 Ca 0.72 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.75 3kie s VAL 572 Cb -0.23 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.58 3kie s VAL 572 CO 0.31 0.14 1.87 0.00 0.00 0.00 0.00 175.10 177.42 3kie h ALA 573 N 5.89 1.00 0.06 5.51 0.00 -0.37 -3.04 119.26 128.32 3kie h ALA 573 Ca -0.44 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 3kie h ALA 573 Cb 1.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3kie h ALA 573 CO 0.79 0.31 -1.61 1.79 0.00 0.00 0.00 179.25 180.53 3kie h THR 574 N 0.97 1.01 -3.86 0.00 1.35 -1.78 0.31 112.91 110.92 3kie h THR 574 Ca 0.30 -2.75 -0.45 0.00 -0.55 0.00 0.00 66.41 62.96 3kie h THR 574 Cb -0.01 2.60 0.16 0.00 -1.73 0.00 0.00 68.15 69.17 3kie h THR 574 CO -0.10 0.73 0.20 -1.61 -0.25 0.00 0.00 175.52 174.48 3kie s GLU 575 N -2.61 0.21 0.00 4.72 0.41 -1.15 -4.65 118.70 115.63 3kie s GLU 575 Ca -0.09 0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 3kie s GLU 575 Cb 0.08 -1.72 0.00 0.00 -1.78 0.00 0.00 34.13 30.70 3kie s GLU 575 CO 0.83 -2.85 0.00 0.00 -0.49 0.00 0.00 175.26 172.75 3kie n GLN 576 N -4.23 -0.45 -0.07 1.61 10.64 -1.26 -4.79 117.38 118.82 3kie n GLN 576 Ca 0.06 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.12 3kie n GLN 576 Cb 0.58 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.90 3kie n GLN 576 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 3kie n TYR 577 N -2.01 0.00 -1.51 2.61 9.36 -0.77 -4.63 117.16 120.21 3kie n TYR 577 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3kie n TYR 577 Cb 0.00 -0.50 0.00 0.00 -0.63 0.00 0.00 39.34 38.21 3kie n TYR 577 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kie n GLY 578 N 2.56 -0.59 3.35 2.98 0.00 -1.25 -5.02 105.19 107.21 3kie n GLY 578 Ca -0.25 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 3kie n GLY 578 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kie s THR 579 N -3.57 2.36 0.00 2.61 2.01 -1.26 -2.41 115.64 115.38 3kie s THR 579 Ca 0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3kie s THR 579 Cb 0.00 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 3kie s THR 579 CO 0.00 0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 3kie s VAL 580 N -0.52 0.70 0.41 3.82 1.01 -0.70 -4.96 120.40 120.15 3kie s VAL 580 Ca 0.07 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 3kie s VAL 580 Cb -0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 3kie s VAL 580 CO 0.01 0.12 0.88 0.00 0.00 0.00 0.00 175.10 176.10 3kie s ALA 581 N -0.36 3.15 -0.37 5.51 0.00 -1.26 -0.65 121.76 127.79 3kie s ALA 581 Ca 0.02 0.22 0.13 0.00 0.00 0.00 0.00 51.96 52.33 3kie s ALA 581 Cb -0.04 -3.00 0.42 0.00 0.00 0.00 0.00 23.12 20.50 3kie s ALA 581 CO -0.00 0.13 1.24 0.27 0.00 0.00 0.00 175.76 177.40 3kie n ASN 582 N -0.73 -0.71 -3.60 0.00 6.94 -1.22 -4.91 115.26 111.03 3kie n ASN 582 Ca 0.06 -2.51 -0.03 0.00 -0.02 0.00 0.00 54.58 52.08 3kie n ASN 582 Cb 0.54 0.46 -0.01 0.00 -2.36 0.00 0.00 39.78 38.40 3kie n ASN 582 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kie s ASN 583 N -1.89 -0.12 -0.91 0.53 4.22 -1.26 -4.91 114.94 110.60 3kie s ASN 583 Ca 0.23 -0.06 -0.13 0.00 -2.14 0.00 0.00 52.86 50.76 3kie s ASN 583 Cb 0.42 0.18 0.24 0.00 1.28 0.00 0.00 41.25 43.36 3kie s ASN 583 CO -0.05 -0.30 0.87 -0.76 -2.04 0.00 0.00 177.10 174.81 3kie s LEU 584 N -2.50 6.65 0.58 3.54 1.43 -1.26 -4.86 118.68 122.26 3kie s LEU 584 Ca 0.11 -2.95 -0.20 0.00 -1.03 0.00 0.00 54.13 50.05 3kie s LEU 584 Cb 0.01 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3kie s LEU 584 CO -0.04 -0.49 1.25 0.00 0.23 0.00 0.00 176.35 177.29 3kie n GLN 585 N 3.61 1.37 -2.16 1.70 -0.00 -1.26 -4.79 117.38 115.86 3kie n GLN 585 Ca 0.17 0.51 -0.01 0.00 -0.00 0.00 0.00 57.00 57.67 3kie n GLN 585 Cb 0.45 -2.46 0.01 0.00 -0.00 0.00 0.00 30.24 28.24 3kie n GLN 585 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3kie n SER 586 N -1.10 -0.52 0.25 2.61 3.41 -0.56 -4.92 113.62 112.78 3kie n SER 586 Ca 0.12 -1.28 0.07 0.00 -0.26 0.00 0.00 58.87 57.53 3kie n SER 586 Cb 0.46 0.85 0.59 0.00 -0.26 0.00 0.00 64.21 65.85 3kie n SER 586 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kie h SER 587 N 0.59 0.00 0.81 4.04 4.64 -2.03 -2.66 113.55 118.95 3kie h SER 587 Ca -0.08 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.03 3kie h SER 587 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3kie h SER 587 CO 0.11 0.08 -1.29 0.78 -0.87 0.00 0.00 176.83 175.64 3kie h ASN 588 N 0.00 0.00 -4.20 4.97 2.35 -1.96 -3.47 115.58 113.27 3kie h ASN 588 Ca -0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 3kie h ASN 588 Cb 0.14 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.20 3kie h ASN 588 CO 0.01 0.81 -0.87 -0.89 -1.65 0.00 0.00 177.43 174.84 3kie s THR 589 N -2.77 1.79 0.05 2.81 2.01 -1.00 -5.12 115.64 113.41 3kie s THR 589 Ca -0.02 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.82 3kie s THR 589 Cb 0.09 -1.51 -0.06 0.00 0.01 0.00 0.00 72.50 71.03 3kie s THR 589 CO 0.81 0.51 0.66 0.00 -0.69 0.00 0.00 174.62 175.91 3kie s ALA 590 N -0.28 3.47 0.25 7.40 0.00 -1.26 -1.50 121.76 129.84 3kie s ALA 590 Ca 0.02 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 3kie s ALA 590 Cb -0.11 -2.82 -0.13 0.00 0.00 0.00 0.00 23.12 20.06 3kie s ALA 590 CO 0.01 0.21 1.45 -0.35 0.00 0.00 0.00 175.76 177.08 3kie n PRO 591 N 2.33 2.18 -4.79 0.00 -0.04 -1.26 -4.84 135.00 128.58 3kie n PRO 591 Ca -0.06 0.78 -0.33 0.00 -0.04 0.00 0.00 63.50 63.84 3kie n PRO 591 Cb 0.50 -2.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.38 3kie n PRO 591 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3kie s THR 592 N -0.06 3.26 -0.03 0.52 2.01 -1.26 -5.09 115.64 114.99 3kie s THR 592 Ca 0.67 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 62.05 3kie s THR 592 Cb -0.61 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 3kie s THR 592 CO 0.50 0.58 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.95 3kie s THR 593 N -0.77 2.83 -0.11 -0.82 2.01 -1.26 -3.40 115.64 114.13 3kie s THR 593 Ca 0.12 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.28 3kie s THR 593 Cb -0.11 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.30 3kie s THR 593 CO 0.01 0.55 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.68 3kie s ARG 594 N -0.83 2.76 -0.43 4.92 3.00 0.18 -4.96 118.95 123.59 3kie s ARG 594 Ca 0.12 -0.77 -0.29 0.00 -1.00 0.00 0.00 55.73 53.79 3kie s ARG 594 Cb -0.10 -2.16 0.03 0.00 0.00 0.00 0.00 34.95 32.71 3kie s ARG 594 CO 0.01 0.08 1.13 0.99 0.00 0.00 0.00 175.30 177.51 3kie s THR 595 N 0.58 4.28 -0.18 4.11 2.01 -1.26 -1.72 115.64 123.45 3kie s THR 595 Ca -0.14 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.93 3kie s THR 595 Cb -0.17 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.80 3kie s THR 595 CO 0.04 -0.86 1.02 0.54 -0.69 0.00 0.00 174.62 174.67 3kie s VAL 596 N 4.26 4.73 -0.23 3.82 0.11 -1.01 -4.90 120.40 127.17 3kie s VAL 596 Ca 0.48 2.02 0.16 0.00 -2.93 0.00 0.00 61.98 61.70 3kie s VAL 596 Cb -0.09 -4.30 -0.22 0.00 -1.53 0.00 0.00 36.38 30.24 3kie s VAL 596 CO 0.27 -0.11 0.44 0.59 -3.33 0.00 0.00 175.10 172.96 3kie n ASN 597 N 5.80 1.20 -3.69 3.54 3.02 -1.26 -1.84 115.26 122.03 3kie n ASN 597 Ca 0.11 -0.26 -0.18 0.00 -0.03 0.00 0.00 54.58 54.21 3kie n ASN 597 Cb 0.47 1.50 -0.17 0.00 -0.61 0.00 0.00 39.78 40.97 3kie n ASN 597 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kie s ASP 598 N -3.39 0.86 -0.16 6.41 2.15 -1.26 -2.65 116.67 118.62 3kie s ASP 598 Ca -0.02 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.07 3kie s ASP 598 Cb 0.10 -0.06 0.03 0.00 -0.30 0.00 0.00 42.92 42.70 3kie s ASP 598 CO 0.64 -0.23 -0.09 -1.58 -0.17 0.00 0.00 175.17 173.75 3kie s GLN 599 N 1.96 1.85 0.00 4.34 2.00 -1.16 -5.04 119.66 123.62 3kie s GLN 599 Ca 0.02 -0.59 0.00 0.00 -2.00 0.00 0.00 55.36 52.78 3kie s GLN 599 Cb -0.12 -2.10 0.00 0.00 0.80 0.00 0.00 33.01 31.58 3kie s GLN 599 CO -0.03 -0.36 0.00 0.41 -0.50 0.00 0.00 175.29 174.81 3kie n GLY 600 N 4.80 -2.69 3.87 2.59 0.00 -1.26 -3.07 105.19 109.43 3kie n GLY 600 Ca -0.14 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 3kie n GLY 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kie s ALA 601 N -2.62 3.22 -0.11 4.61 0.00 -1.26 -4.72 121.76 120.88 3kie s ALA 601 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 3kie s ALA 601 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.26 3kie s ALA 601 CO 0.00 -0.39 0.28 -0.51 0.00 0.00 0.00 175.76 175.13 3kie s LEU 602 N -4.62 0.83 -0.34 0.00 1.43 -1.26 -5.10 118.68 109.62 3kie s LEU 602 Ca 0.53 0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 53.90 3kie s LEU 602 Cb -0.10 0.93 -0.07 0.00 0.03 0.00 0.00 46.19 46.97 3kie s LEU 602 CO 0.43 -0.11 2.28 -2.65 0.23 0.00 0.00 176.35 176.54 3kie n PRO 603 N 3.17 1.49 0.00 1.29 -0.02 -1.26 -1.61 135.00 138.06 3kie n PRO 603 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3kie n PRO 603 Cb 0.57 -3.07 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 3kie n PRO 603 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kie n GLY 604 N 6.02 1.15 3.78 -1.23 0.00 -1.26 -4.96 105.19 108.69 3kie n GLY 604 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 3kie n GLY 604 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kie s MET 605 N 0.00 4.37 -0.03 1.61 -1.94 -0.64 -1.40 119.30 121.28 3kie s MET 605 Ca 0.00 1.50 0.01 0.00 -1.71 0.00 0.00 55.69 55.49 3kie s MET 605 Cb 0.00 -2.73 0.02 0.00 2.01 0.00 0.00 34.83 34.13 3kie s MET 605 CO 0.00 0.05 -0.02 0.14 -0.01 0.00 0.00 175.02 175.17 3kie s VAL 606 N -1.56 0.32 0.07 -6.03 -7.23 -0.72 -4.90 120.40 100.35 3kie s VAL 606 Ca 0.53 -0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.66 3kie s VAL 606 Cb -0.23 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 3kie s VAL 606 CO 0.29 0.16 -0.02 -1.66 -0.31 0.00 0.00 175.10 173.55 3kie s TRP 607 N 0.78 0.63 -0.03 2.82 -2.14 -1.26 -2.84 118.94 116.89 3kie s TRP 607 Ca -0.09 -1.06 -0.00 0.00 2.66 0.00 0.00 56.10 57.60 3kie s TRP 607 Cb -0.12 -0.43 -0.04 0.00 -3.10 0.00 0.00 33.47 29.79 3kie s TRP 607 CO -0.01 -0.36 0.03 -1.14 -2.66 0.00 0.00 176.95 172.82 3kie s GLN 608 N -3.92 2.96 0.76 3.25 2.00 -1.26 -5.05 119.66 118.40 3kie s GLN 608 Ca 0.10 -0.49 -0.13 0.00 -2.00 0.00 0.00 55.36 52.84 3kie s GLN 608 Cb 0.07 -2.79 0.18 0.00 0.80 0.00 0.00 33.01 31.28 3kie s GLN 608 CO -0.08 0.66 0.93 -0.25 -0.50 0.00 0.00 175.29 176.05 3kie n ASP 609 N 1.55 -0.43 -3.61 6.67 8.00 -1.26 -4.79 116.55 122.69 3kie n ASP 609 Ca -0.15 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.09 3kie n ASP 609 Cb 0.53 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3kie n ASP 609 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kie n ARG 610 N -3.29 2.07 -4.11 -1.24 1.74 -1.26 -5.01 116.66 105.56 3kie n ARG 610 Ca 0.12 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 3kie n ARG 610 Cb 0.42 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.76 3kie n ARG 610 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3kie s ASP 611 N -1.61 0.87 -0.11 0.55 2.15 -1.26 -4.91 116.67 112.36 3kie s ASP 611 Ca 0.00 -0.84 -0.02 0.00 0.43 0.00 0.00 52.55 52.13 3kie s ASP 611 Cb 0.00 0.10 -0.03 0.00 -0.30 0.00 0.00 42.92 42.69 3kie s ASP 611 CO 0.00 -0.40 -0.05 0.68 -0.17 0.00 0.00 175.17 175.23 3kie s VAL 612 N -2.89 3.86 0.26 1.11 -7.23 -1.26 -4.77 120.40 109.48 3kie s VAL 612 Ca 0.03 -0.40 0.10 0.00 -1.81 0.00 0.00 61.98 59.90 3kie s VAL 612 Cb 0.00 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3kie s VAL 612 CO -0.04 0.55 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.92 3kie s TYR 613 N -0.29 2.57 0.55 2.82 1.51 -1.26 -4.06 117.35 119.19 3kie s TYR 613 Ca 0.05 -0.26 0.43 0.00 -1.01 0.00 0.00 57.07 56.28 3kie s TYR 613 Cb -0.13 -1.14 1.63 0.00 -0.11 0.00 0.00 41.96 42.21 3kie s TYR 613 CO 0.02 0.64 1.71 1.25 -1.11 0.00 0.00 175.55 178.06 3kie h LEU 614 N 2.13 0.00 -3.04 -1.29 5.85 -1.87 0.58 115.31 117.67 3kie h LEU 614 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3kie h LEU 614 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3kie h LEU 614 CO 0.59 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 3kie n GLN 615 N -4.07 2.77 -2.19 1.25 0.00 -1.26 0.67 117.38 114.55 3kie n GLN 615 Ca 0.33 -2.30 -0.26 0.00 0.00 0.00 0.00 57.00 54.78 3kie n GLN 615 Cb 1.57 -1.45 0.07 0.00 0.00 0.00 0.00 30.24 30.43 3kie n GLN 615 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3kie s GLY 616 N -1.48 1.69 0.78 2.61 0.00 0.20 -4.72 107.32 106.40 3kie s GLY 616 Ca 0.27 -0.93 -0.13 0.00 0.00 0.00 0.00 44.72 43.93 3kie s GLY 616 CO 0.10 -0.51 1.16 -4.14 0.00 0.00 0.00 173.10 169.71 3kie s PRO 617 N -5.27 1.88 -0.15 2.90 0.02 -1.26 -2.42 135.00 130.70 3kie s PRO 617 Ca 0.61 1.58 -0.14 0.00 0.02 0.00 0.00 61.00 63.06 3kie s PRO 617 Cb -0.10 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 3kie s PRO 617 CO 0.45 -1.99 -0.29 -0.89 -0.33 0.00 0.00 177.00 173.95 3kie n ILE 618 N -3.26 1.41 -4.62 2.83 5.41 -1.11 -4.67 119.36 115.35 3kie n ILE 618 Ca 0.12 0.08 -0.29 0.00 1.00 0.00 0.00 62.75 63.66 3kie n ILE 618 Cb 0.51 -2.12 -0.07 0.00 -0.71 0.00 0.00 39.64 37.25 3kie n ILE 618 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.55 173.88 3kie n TRP 619 N -4.23 0.57 -3.64 1.39 2.14 -1.26 -1.26 117.44 111.15 3kie n TRP 619 Ca -0.19 -2.65 -0.09 0.00 2.07 0.00 0.00 57.50 56.64 3kie n TRP 619 Cb 0.51 -0.14 -0.07 0.00 -0.81 0.00 0.00 31.31 30.80 3kie n TRP 619 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3kie s ALA 620 N -3.04 -1.90 -0.57 -1.67 0.00 -0.75 -4.64 121.76 109.18 3kie s ALA 620 Ca 0.13 2.16 -0.28 0.00 0.00 0.00 0.00 51.96 53.97 3kie s ALA 620 Cb 0.01 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.78 3kie s ALA 620 CO 0.09 -0.34 1.32 0.21 0.00 0.00 0.00 175.76 177.04 3kie s LYS 621 N 0.90 3.39 -0.01 0.00 2.20 -1.26 -0.87 119.74 124.08 3kie s LYS 621 Ca -0.04 0.36 -0.32 0.00 -0.36 0.00 0.00 55.97 55.60 3kie s LYS 621 Cb -0.05 -4.08 -0.11 0.00 -1.51 0.00 0.00 37.83 32.08 3kie s LYS 621 CO -0.09 -1.84 1.90 -0.89 -0.36 0.00 0.00 175.35 174.07 3kie n ILE 622 N 6.77 0.60 -1.62 5.43 5.41 -0.35 -4.90 119.36 130.70 3kie n ILE 622 Ca 0.11 -0.11 -0.41 0.00 1.00 0.00 0.00 62.75 63.33 3kie n ILE 622 Cb 0.49 -2.03 0.01 0.00 -0.71 0.00 0.00 39.64 37.40 3kie n ILE 622 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3kie n PRO 623 N 6.70 1.42 -2.84 0.38 -0.02 -1.26 -4.77 135.00 134.62 3kie n PRO 623 Ca 0.21 0.51 -0.44 0.00 -2.02 0.00 0.00 63.50 61.76 3kie n PRO 623 Cb 0.34 -2.08 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3kie n PRO 623 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kie s HIS 624 N -1.26 3.27 0.47 6.00 2.46 -1.26 -4.96 115.29 120.01 3kie s HIS 624 Ca 0.63 -1.93 0.02 0.00 0.47 0.00 0.00 55.06 54.25 3kie s HIS 624 Cb -0.55 -4.44 0.02 0.00 -0.13 0.00 0.00 32.58 27.48 3kie s HIS 624 CO 0.57 -1.52 0.19 0.25 -2.47 0.00 0.00 174.74 171.76 3kie n THR 625 N 5.19 0.00 0.20 0.89 -2.24 -1.26 -5.03 114.28 112.03 3kie n THR 625 Ca 0.39 -2.01 0.07 0.00 -2.27 0.00 0.00 64.05 60.24 3kie n THR 625 Cb 0.44 0.15 0.39 0.00 -2.10 0.00 0.00 70.33 69.21 3kie n THR 625 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kie h ASP 626 N 0.81 0.00 -4.45 3.42 3.32 -2.05 -3.46 116.42 114.01 3kie h ASP 626 Ca -0.34 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 3kie h ASP 626 Cb 1.12 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.46 3kie h ASP 626 CO 0.54 0.32 -0.09 -0.83 -1.72 0.00 0.00 179.24 177.47 3kie s GLY 627 N -4.33 -0.37 0.07 2.75 0.00 -1.26 -5.16 107.32 99.03 3kie s GLY 627 Ca -0.00 1.12 0.01 0.00 0.00 0.00 0.00 44.72 45.85 3kie s GLY 627 CO 0.67 0.88 -0.06 0.30 0.00 0.00 0.00 173.10 174.89 3kie s HIS 628 N -0.48 0.75 0.00 1.90 3.76 -1.26 -5.12 115.29 114.84 3kie s HIS 628 Ca -0.06 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 3kie s HIS 628 Cb -0.03 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 33.20 3kie s HIS 628 CO 0.04 -0.17 0.00 0.34 -0.85 0.00 0.00 174.74 174.10 3kie n PHE 629 N 0.43 0.00 -3.82 1.40 7.35 -1.26 -4.89 117.46 116.66 3kie n PHE 629 Ca -0.16 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.25 3kie n PHE 629 Cb 0.59 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.31 3kie n PHE 629 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 3kie n HIS 630 N -0.79 3.36 -0.34 -5.13 -0.00 -1.26 -5.02 115.22 106.05 3kie n HIS 630 Ca 0.00 -4.29 -0.16 0.00 0.46 0.00 0.00 57.72 53.73 3kie n HIS 630 Cb 0.00 -0.64 -0.03 0.00 -0.12 0.00 0.00 29.99 29.20 3kie n HIS 630 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3kie n PRO 631 N 1.79 0.54 -4.39 1.57 -0.02 -1.26 -4.84 135.00 128.40 3kie n PRO 631 Ca 0.21 -0.90 -0.34 0.00 -2.02 0.00 0.00 63.50 60.46 3kie n PRO 631 Cb 0.36 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.45 3kie n PRO 631 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kie s SER 632 N 5.06 4.66 -0.15 2.55 0.15 -1.26 -4.22 113.70 120.49 3kie s SER 632 Ca 0.26 -0.18 -0.39 0.00 0.70 0.00 0.00 55.95 56.33 3kie s SER 632 Cb 0.06 -1.76 -0.16 0.00 -1.71 0.00 0.00 66.02 62.45 3kie s SER 632 CO 0.07 0.15 1.56 -2.65 1.20 0.00 0.00 173.24 173.57 3kie n PRO 633 N 3.69 1.04 0.07 5.44 -0.02 -1.26 -4.83 135.00 139.13 3kie n PRO 633 Ca -0.17 0.38 0.06 0.00 -2.02 0.00 0.00 63.50 61.75 3kie n PRO 633 Cb 0.52 -2.03 0.50 0.00 -0.02 0.00 0.00 33.50 32.48 3kie n PRO 633 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kie h LEU 634 N 5.95 0.31 0.00 2.45 3.38 -1.95 0.31 115.31 125.76 3kie h LEU 634 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kie h LEU 634 Cb 1.33 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kie h LEU 634 CO 0.88 0.22 0.00 0.23 0.09 0.00 0.00 178.44 179.86 3kie n MET 635 N -4.49 0.20 0.00 1.13 2.81 -1.26 -4.86 117.12 110.66 3kie n MET 635 Ca 0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3kie n MET 635 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 3kie n MET 635 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kie n GLY 636 N 1.29 2.52 0.00 3.03 0.00 0.11 -4.80 105.19 107.34 3kie n GLY 636 Ca 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3kie n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kie n GLY 637 N 1.22 0.44 3.43 -0.02 0.00 -1.26 -4.65 105.19 104.35 3kie n GLY 637 Ca 0.00 -2.09 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3kie n GLY 637 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kie s PHE 638 N -0.51 3.11 -0.25 1.61 0.40 -0.39 -4.43 117.98 117.51 3kie s PHE 638 Ca 0.00 -0.52 -0.29 0.00 -0.60 0.00 0.00 56.93 55.52 3kie s PHE 638 Cb 0.00 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.28 3kie s PHE 638 CO 0.00 -0.40 1.06 0.20 0.70 0.00 0.00 175.22 176.77 3kie s GLY 639 N 1.60 1.65 -0.10 4.36 0.00 -1.26 -1.81 107.32 111.77 3kie s GLY 639 Ca 0.06 0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.93 3kie s GLY 639 CO 0.04 2.23 -0.23 1.08 0.00 0.00 0.00 173.10 176.22 3kie s LEU 640 N 3.35 2.06 0.07 0.66 1.43 -0.05 -4.90 118.68 121.31 3kie s LEU 640 Ca 0.45 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 3kie s LEU 640 Cb -0.14 -1.37 -0.15 0.00 0.03 0.00 0.00 46.19 44.55 3kie s LEU 640 CO 0.09 0.15 1.66 0.11 0.23 0.00 0.00 176.35 178.59 3kie h LYS 641 N 6.75 0.02 -3.25 1.70 1.79 -1.86 -0.92 116.57 120.79 3kie h LYS 641 Ca -0.20 -0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.64 3kie h LYS 641 Cb 1.24 -0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.47 3kie h LYS 641 CO 0.47 0.09 -0.66 -1.01 -1.08 0.00 0.00 179.45 177.26 3kie s HIS 642 N -5.86 2.83 0.51 -1.35 3.76 -1.26 -4.66 115.29 109.25 3kie s HIS 642 Ca -0.13 -2.96 -0.05 0.00 -0.15 0.00 0.00 55.06 51.77 3kie s HIS 642 Cb 0.05 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 3kie s HIS 642 CO 0.66 -0.75 0.82 -2.14 -0.85 0.00 0.00 174.74 172.49 3kie s PRO 643 N -0.15 3.38 -0.54 8.40 0.02 -1.26 -4.73 135.00 140.12 3kie s PRO 643 Ca 0.18 0.14 -0.42 0.00 0.02 0.00 0.00 61.00 60.92 3kie s PRO 643 Cb -0.24 -2.35 -0.19 0.00 0.02 0.00 0.00 34.50 31.74 3kie s PRO 643 CO -0.01 -0.34 2.19 -2.30 -0.33 0.00 0.00 177.00 176.22 3kie n PRO 644 N -2.35 0.05 -0.74 5.54 -0.02 -1.26 -4.83 135.00 131.39 3kie n PRO 644 Ca 0.02 0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 61.18 3kie n PRO 644 Cb 0.56 -1.55 0.14 0.00 -0.02 0.00 0.00 33.50 32.63 3kie n PRO 644 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kie n PRO 645 N 7.62 -0.86 -2.87 0.52 -0.04 -1.26 -4.93 135.00 133.18 3kie n PRO 645 Ca 0.55 -0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.39 3kie n PRO 645 Cb -0.02 -1.79 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 3kie n PRO 645 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3kie s GLN 646 N -3.56 4.53 -0.33 0.54 -0.21 -1.25 -4.86 119.66 114.51 3kie s GLN 646 Ca 0.56 1.19 -0.10 0.00 0.02 0.00 0.00 55.36 57.03 3kie s GLN 646 Cb -0.17 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.41 3kie s GLN 646 CO 0.67 0.08 0.18 0.42 -2.12 0.00 0.00 175.29 174.52 3kie s ILE 647 N 0.62 4.67 0.30 1.08 1.09 -1.26 -0.97 121.20 126.73 3kie s ILE 647 Ca 0.44 -0.54 -0.04 0.00 -1.10 0.00 0.00 60.65 59.42 3kie s ILE 647 Cb -0.20 -3.46 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 3kie s ILE 647 CO 0.24 -0.04 0.54 -0.04 -0.10 0.00 0.00 174.94 175.55 3kie s MET 648 N 1.61 3.60 -0.13 2.79 -1.94 -0.01 -2.32 119.30 122.89 3kie s MET 648 Ca 0.04 -0.07 -0.16 0.00 -1.71 0.00 0.00 55.69 53.78 3kie s MET 648 Cb -0.18 -2.66 0.04 0.00 2.01 0.00 0.00 34.83 34.05 3kie s MET 648 CO 0.07 0.21 0.44 -1.50 -0.01 0.00 0.00 175.02 174.22 3kie s ILE 649 N -2.12 0.01 -0.17 2.53 1.10 -0.75 -2.88 121.20 118.92 3kie s ILE 649 Ca 0.43 -0.08 -0.29 0.00 -0.51 0.00 0.00 60.65 60.20 3kie s ILE 649 Cb -0.11 -0.64 0.11 0.00 0.15 0.00 0.00 42.46 41.97 3kie s ILE 649 CO 0.31 -0.04 0.90 -1.59 -2.11 0.00 0.00 174.94 172.41 3kie s LYS 650 N -0.11 0.71 -0.12 3.50 0.00 -0.91 0.62 119.74 123.43 3kie s LYS 650 Ca -0.03 0.34 -0.29 0.00 0.00 0.00 0.00 55.97 55.98 3kie s LYS 650 Cb -0.03 0.34 -0.01 0.00 0.00 0.00 0.00 37.83 38.12 3kie s LYS 650 CO 0.02 -0.19 1.05 -0.80 0.00 0.00 0.00 175.35 175.43 3kie s ASN 651 N -0.73 7.18 0.04 0.03 -0.87 -1.26 -1.08 114.94 118.25 3kie s ASN 651 Ca -0.03 1.55 -0.30 0.00 -1.57 0.00 0.00 52.86 52.51 3kie s ASN 651 Cb -0.02 -2.55 -0.08 0.00 -0.02 0.00 0.00 41.25 38.58 3kie s ASN 651 CO 0.02 -0.52 1.88 -0.89 -2.57 0.00 0.00 177.10 175.02 3kie s THR 652 N 2.30 3.05 0.15 1.60 2.01 -1.00 -4.90 115.64 118.86 3kie s THR 652 Ca 0.49 0.17 -0.34 0.00 0.31 0.00 0.00 61.69 62.32 3kie s THR 652 Cb -0.19 -3.11 -0.14 0.00 0.01 0.00 0.00 72.50 69.08 3kie s THR 652 CO 0.16 -0.01 1.61 -2.65 -0.69 0.00 0.00 174.62 173.04 3kie n PRO 653 N 7.11 2.23 -3.90 4.92 -0.02 -1.26 -4.78 135.00 139.30 3kie n PRO 653 Ca 0.19 0.80 -0.35 0.00 -2.02 0.00 0.00 63.50 62.12 3kie n PRO 653 Cb 0.41 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 3kie n PRO 653 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kie s VAL 654 N 1.12 3.09 0.14 -1.45 1.01 -1.26 -5.07 120.40 117.98 3kie s VAL 654 Ca 0.79 -1.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.21 3kie s VAL 654 Cb -0.66 -2.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.89 3kie s VAL 654 CO 0.38 -0.02 1.67 -2.65 0.00 0.00 0.00 175.10 174.48 3kie n PRO 655 N 4.67 2.37 0.00 2.72 -0.02 -1.26 -0.25 135.00 143.22 3kie n PRO 655 Ca -0.14 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3kie n PRO 655 Cb 0.45 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3kie n PRO 655 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kie n ALA 656 N 4.16 0.00 -2.51 3.55 0.00 0.38 -4.58 120.51 121.50 3kie n ALA 656 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 3kie n ALA 656 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 3kie n ALA 656 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kie s ASN 657 N -1.59 7.10 0.31 0.00 3.84 -1.26 -4.94 114.94 118.40 3kie s ASN 657 Ca 0.00 1.76 -0.06 0.00 0.21 0.00 0.00 52.86 54.77 3kie s ASN 657 Cb 0.00 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 38.09 3kie s ASN 657 CO 0.00 -0.54 0.59 -2.84 -2.79 0.00 0.00 177.10 171.52 3kie s PRO 658 N 2.07 3.66 0.49 0.43 0.02 -1.26 -5.06 135.00 135.35 3kie s PRO 658 Ca 0.54 0.09 -0.19 0.00 0.02 0.00 0.00 61.00 61.46 3kie s PRO 658 Cb -0.23 -2.60 -0.08 0.00 0.02 0.00 0.00 34.50 31.60 3kie s PRO 658 CO 0.22 0.17 1.00 -2.14 -0.33 0.00 0.00 177.00 175.91 3kie s PRO 659 N -3.61 3.92 0.46 5.54 0.02 -1.26 -4.98 135.00 135.09 3kie s PRO 659 Ca 0.45 1.13 0.30 0.00 0.02 0.00 0.00 61.00 62.90 3kie s PRO 659 Cb -0.11 -2.13 1.19 0.00 0.02 0.00 0.00 34.50 33.47 3kie s PRO 659 CO 0.30 -0.31 1.89 1.15 -0.33 0.00 0.00 177.00 179.70 3kie h THR 660 N 1.30 0.00 -2.94 0.99 2.02 -2.07 -3.43 112.91 108.78 3kie h THR 660 Ca -0.48 -0.47 -0.66 0.00 0.77 0.00 0.00 66.41 65.56 3kie h THR 660 Cb 1.20 1.41 -0.09 0.00 -1.74 0.00 0.00 68.15 68.93 3kie h THR 660 CO 0.60 0.00 -0.54 0.28 0.37 0.00 0.00 175.52 176.23 3kie s THR 661 N -3.53 5.04 0.22 3.16 -1.32 -1.26 -5.08 115.64 112.87 3kie s THR 661 Ca 0.03 -0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 3kie s THR 661 Cb 0.09 -3.25 -0.09 0.00 -1.51 0.00 0.00 72.50 67.74 3kie s THR 661 CO 0.52 0.47 1.26 0.12 -2.21 0.00 0.00 174.62 174.78 3kie s PHE 662 N -1.12 3.30 -0.10 9.09 5.36 -1.26 -5.04 117.98 128.21 3kie s PHE 662 Ca 0.20 1.33 0.01 0.00 -0.96 0.00 0.00 56.93 57.51 3kie s PHE 662 Cb -0.12 -3.54 0.02 0.00 -0.34 0.00 0.00 43.02 39.04 3kie s PHE 662 CO 0.10 -1.60 -0.10 0.45 -1.46 0.00 0.00 175.22 172.61 3kie s SER 663 N 0.09 2.09 0.22 6.13 0.15 -1.26 -5.00 113.70 116.12 3kie s SER 663 Ca 0.54 -0.32 0.25 0.00 0.70 0.00 0.00 55.95 57.12 3kie s SER 663 Cb -0.36 -0.87 0.88 0.00 -1.71 0.00 0.00 66.02 63.97 3kie s SER 663 CO 0.40 -0.06 1.76 -2.65 1.20 0.00 0.00 173.24 173.89 3kie n PRO 664 N 4.52 0.23 -1.77 5.44 -0.02 -1.26 -4.87 135.00 137.27 3kie n PRO 664 Ca -0.17 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 3kie n PRO 664 Cb 0.51 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 32.18 3kie n PRO 664 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kie n ALA 665 N -1.77 2.22 -1.63 3.55 0.00 -1.26 -4.90 120.51 116.72 3kie n ALA 665 Ca 0.04 0.28 -0.46 0.00 0.00 0.00 0.00 53.44 53.31 3kie n ALA 665 Cb 0.35 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 3kie n ALA 665 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kie n LYS 666 N 0.05 1.67 -2.55 0.00 4.81 -1.26 -4.91 118.16 115.97 3kie n LYS 666 Ca 0.03 0.60 -0.42 0.00 -0.87 0.00 0.00 58.31 57.65 3kie n LYS 666 Cb 0.40 -2.18 -0.03 0.00 0.02 0.00 0.00 35.03 33.25 3kie n LYS 666 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3kie s PHE 667 N -0.18 3.57 0.00 5.64 2.19 -1.26 -4.89 117.98 123.04 3kie s PHE 667 Ca 0.69 1.52 0.00 0.00 0.33 0.00 0.00 56.93 59.47 3kie s PHE 667 Cb -0.73 -3.27 0.00 0.00 -1.31 0.00 0.00 43.02 37.71 3kie s PHE 667 CO 0.51 -0.64 0.27 0.00 1.83 0.00 0.00 175.22 177.20 3kie n ALA 668 N 3.52 0.62 -3.43 11.12 0.00 -1.26 -5.01 120.51 126.07 3kie n ALA 668 Ca 0.06 -0.27 -0.44 0.00 0.00 0.00 0.00 53.44 52.79 3kie n ALA 668 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 3kie n ALA 668 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kie s SER 669 N 0.00 6.00 0.24 0.00 0.15 -1.26 -5.07 113.70 113.77 3kie s SER 669 Ca 0.00 -1.95 0.11 0.00 0.70 0.00 0.00 55.95 54.82 3kie s SER 669 Cb 0.00 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.15 3kie s SER 669 CO 0.00 -0.75 -0.17 -0.36 1.20 0.00 0.00 173.24 173.16 3kie s PHE 670 N 1.34 2.40 -0.00 3.44 0.40 -1.26 -0.47 117.98 123.83 3kie s PHE 670 Ca 0.06 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 3kie s PHE 670 Cb -0.27 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 3kie s PHE 670 CO 0.00 0.62 1.07 0.42 0.70 0.00 0.00 175.22 178.03 3kie s ILE 671 N -2.15 4.55 -0.07 0.64 1.01 0.65 -4.58 121.20 121.26 3kie s ILE 671 Ca 0.27 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 3kie s ILE 671 Cb -0.06 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 3kie s ILE 671 CO 0.14 0.11 1.15 0.42 0.00 0.00 0.00 174.94 176.76 3kie s THR 672 N 1.30 4.39 -0.03 2.92 -4.23 -1.26 -4.61 115.64 114.11 3kie s THR 672 Ca 0.54 1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 62.50 3kie s THR 672 Cb -0.23 -4.09 0.05 0.00 1.34 0.00 0.00 72.50 69.57 3kie s THR 672 CO 0.26 0.00 0.52 0.00 -0.54 0.00 0.00 174.62 174.87 3kie s GLN 673 N 2.15 0.90 0.10 3.99 -2.07 -1.26 -1.91 119.66 121.56 3kie s GLN 673 Ca 0.54 0.06 0.05 0.00 -1.82 0.00 0.00 55.36 54.19 3kie s GLN 673 Cb -0.23 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 3kie s GLN 673 CO 0.21 -0.27 -0.13 1.52 -1.32 0.00 0.00 175.29 175.29 3kie s TYR 674 N -1.30 1.28 0.24 9.60 -0.85 0.34 -4.24 117.35 122.42 3kie s TYR 674 Ca -0.12 -0.55 0.08 0.00 -0.52 0.00 0.00 57.07 55.96 3kie s TYR 674 Cb -0.02 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 3kie s TYR 674 CO 0.07 0.09 0.04 -1.54 -1.52 0.00 0.00 175.55 172.69 3kie s SER 675 N -2.27 4.81 0.05 -0.18 1.04 -0.31 -1.10 113.70 115.75 3kie s SER 675 Ca 0.05 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 55.79 3kie s SER 675 Cb -0.06 -1.01 0.04 0.00 0.10 0.00 0.00 66.02 65.10 3kie s SER 675 CO 0.02 0.02 0.47 0.28 0.98 0.00 0.00 173.24 175.01 3kie s THR 676 N -2.11 0.04 -2.02 2.02 -1.32 -0.07 -0.67 115.64 111.52 3kie s THR 676 Ca 0.31 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 3kie s THR 676 Cb -0.08 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 3kie s THR 676 CO 0.21 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 3kie n GLY 677 N 0.38 -1.25 3.76 6.08 0.00 -1.01 0.07 105.19 113.22 3kie n GLY 677 Ca -0.18 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 3kie n GLY 677 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kie s GLN 678 N -0.81 2.73 0.01 1.61 1.11 -0.64 -0.99 119.66 122.68 3kie s GLN 678 Ca 0.00 -1.05 0.01 0.00 0.01 0.00 0.00 55.36 54.33 3kie s GLN 678 Cb 0.00 -2.50 -0.01 0.00 -1.01 0.00 0.00 33.01 29.49 3kie s GLN 678 CO 0.00 0.43 -0.05 0.54 0.01 0.00 0.00 175.29 176.22 3kie s VAL 679 N -1.95 0.36 -0.05 1.09 0.11 -0.62 -2.07 120.40 117.27 3kie s VAL 679 Ca 0.31 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3kie s VAL 679 Cb -0.09 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 3kie s VAL 679 CO 0.22 -0.10 -0.08 -0.55 -3.33 0.00 0.00 175.10 171.26 3kie s SER 680 N -0.64 1.31 -0.17 3.54 0.15 0.11 -1.81 113.70 116.18 3kie s SER 680 Ca -0.03 -0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.41 3kie s SER 680 Cb -0.05 -0.61 0.04 0.00 -1.71 0.00 0.00 66.02 63.69 3kie s SER 680 CO -0.00 -0.01 -0.08 -0.69 1.20 0.00 0.00 173.24 173.66 3kie s VAL 681 N 0.75 1.31 -0.19 4.45 1.01 0.28 -0.60 120.40 127.41 3kie s VAL 681 Ca -0.13 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 3kie s VAL 681 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3kie s VAL 681 CO 0.02 0.21 -0.02 -0.70 0.00 0.00 0.00 175.10 174.60 3kie s GLU 682 N 1.56 3.58 -0.05 2.72 2.12 0.05 -1.77 118.70 126.90 3kie s GLU 682 Ca 0.01 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.83 3kie s GLU 682 Cb -0.15 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3kie s GLU 682 CO -0.08 0.05 -0.13 0.42 -0.54 0.00 0.00 175.26 174.98 3kie s ILE 683 N 0.87 1.17 -0.05 -3.70 1.01 0.07 -0.20 121.20 120.36 3kie s ILE 683 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 3kie s ILE 683 Cb -0.14 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 3kie s ILE 683 CO 0.02 0.35 0.24 -0.70 0.00 0.00 0.00 174.94 174.85 3kie s GLU 684 N 0.32 3.58 -0.10 2.79 2.12 -1.12 -0.32 118.70 125.97 3kie s GLU 684 Ca -0.08 -0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.25 3kie s GLU 684 Cb -0.13 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.13 3kie s GLU 684 CO 0.02 0.71 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.74 3kie s TRP 685 N -1.15 1.83 0.19 5.30 0.52 0.97 -0.50 118.94 126.10 3kie s TRP 685 Ca 0.22 -0.85 -0.26 0.00 0.02 0.00 0.00 56.10 55.22 3kie s TRP 685 Cb -0.13 -1.35 -0.08 0.00 -1.15 0.00 0.00 33.47 30.76 3kie s TRP 685 CO 0.11 -0.46 0.82 -2.00 0.02 0.00 0.00 176.95 175.43 3kie s GLU 686 N 1.07 4.62 0.10 4.98 2.12 -0.08 -0.78 118.70 130.72 3kie s GLU 686 Ca -0.06 1.22 0.09 0.00 0.36 0.00 0.00 54.97 56.59 3kie s GLU 686 Cb -0.15 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 3kie s GLU 686 CO -0.02 0.54 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.53 3kie s LEU 687 N -1.25 2.63 -0.34 2.70 1.43 -1.05 -1.56 118.68 121.23 3kie s LEU 687 Ca 0.38 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3kie s LEU 687 Cb -0.23 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.54 3kie s LEU 687 CO 0.27 0.20 0.10 -1.58 0.23 0.00 0.00 176.35 175.57 3kie s GLN 688 N -1.93 2.48 0.91 1.70 0.74 0.42 -4.84 119.66 119.14 3kie s GLN 688 Ca 0.17 -1.32 -0.11 0.00 0.05 0.00 0.00 55.36 54.15 3kie s GLN 688 Cb -0.10 -3.42 0.14 0.00 1.10 0.00 0.00 33.01 30.72 3kie s GLN 688 CO 0.08 -0.73 1.09 0.15 -0.55 0.00 0.00 175.29 175.33 3kie s LYS 689 N 1.33 1.11 -0.15 1.67 -0.14 -1.26 -0.39 119.74 121.90 3kie s LYS 689 Ca -0.01 1.02 -0.19 0.00 -1.36 0.00 0.00 55.97 55.43 3kie s LYS 689 Cb -0.20 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 3kie s LYS 689 CO 0.01 -2.40 0.53 -2.00 -0.76 0.00 0.00 175.35 170.73 3kie s GLU 690 N -4.81 4.28 -0.55 1.68 -6.30 -1.23 -4.08 118.70 107.69 3kie s GLU 690 Ca 0.64 0.49 0.04 0.00 -2.50 0.00 0.00 54.97 53.65 3kie s GLU 690 Cb -0.20 -3.50 0.17 0.00 0.00 0.00 0.00 34.13 30.60 3kie s GLU 690 CO 0.58 -0.02 0.41 1.21 0.02 0.00 0.00 175.26 177.46 3kie s ASN 691 N 0.91 3.09 0.02 -1.70 2.47 -1.26 -5.02 114.94 113.46 3kie s ASN 691 Ca 0.27 -3.42 0.08 0.00 0.42 0.00 0.00 52.86 50.21 3kie s ASN 691 Cb -0.16 -1.01 -0.02 0.00 -1.45 0.00 0.00 41.25 38.61 3kie s ASN 691 CO 0.11 -0.13 -0.25 -0.55 -3.72 0.00 0.00 177.10 172.55 3kie s SER 692 N -0.64 2.96 -0.29 -4.21 0.15 -1.26 -5.01 113.70 105.40 3kie s SER 692 Ca 0.29 -0.53 0.11 0.00 0.70 0.00 0.00 55.95 56.52 3kie s SER 692 Cb -0.01 -0.29 0.70 0.00 -1.71 0.00 0.00 66.02 64.72 3kie s SER 692 CO -0.18 0.26 1.72 0.29 1.20 0.00 0.00 173.24 176.53 3kie n LYS 693 N 2.01 3.56 -1.68 5.44 4.76 -1.26 -4.97 118.16 126.01 3kie n LYS 693 Ca -0.17 -3.08 -0.45 0.00 -2.87 0.00 0.00 58.31 51.75 3kie n LYS 693 Cb 0.52 -2.14 -0.04 0.00 -1.84 0.00 0.00 35.03 31.54 3kie n LYS 693 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3kie n ARG 694 N -0.23 2.41 0.02 1.97 3.00 -1.26 -4.93 116.66 117.65 3kie n ARG 694 Ca 0.36 0.88 -0.04 0.00 -0.00 0.00 0.00 57.85 59.04 3kie n ARG 694 Cb 1.27 -2.70 -0.03 0.00 0.00 0.00 0.00 32.46 31.00 3kie n ARG 694 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 3kie h TRP 695 N 7.39 -0.14 -4.24 -0.14 2.91 -2.05 -3.46 115.95 116.22 3kie h TRP 695 Ca -0.46 -0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.05 3kie h TRP 695 Cb 1.24 0.05 0.10 0.00 -0.51 0.00 0.00 29.16 30.03 3kie h TRP 695 CO 0.72 0.05 0.36 0.54 -1.03 0.00 0.00 178.44 179.08 3kie s ASN 696 N -5.46 5.22 0.53 2.65 4.22 -1.26 -4.99 114.94 115.86 3kie s ASN 696 Ca -0.05 1.87 -0.22 0.00 -2.14 0.00 0.00 52.86 52.32 3kie s ASN 696 Cb -0.00 -2.53 -0.05 0.00 1.28 0.00 0.00 41.25 39.94 3kie s ASN 696 CO 0.17 -1.55 1.36 -2.65 -2.04 0.00 0.00 177.10 172.39 3kie n PRO 697 N -2.60 1.74 -2.68 3.55 -0.02 -1.26 -5.03 135.00 128.70 3kie n PRO 697 Ca 0.09 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 62.00 3kie n PRO 697 Cb 0.53 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.48 3kie n PRO 697 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kie s GLU 698 N -2.82 2.52 0.19 -0.52 2.02 -1.26 -5.08 118.70 113.75 3kie s GLU 698 Ca 0.70 -0.87 -0.26 0.00 0.02 0.00 0.00 54.97 54.56 3kie s GLU 698 Cb -0.42 -2.51 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 3kie s GLU 698 CO 0.50 -0.71 0.82 0.96 0.02 0.00 0.00 175.26 176.85 3kie s ILE 699 N -2.74 4.29 0.08 -1.63 -4.36 -1.26 -5.06 121.20 110.53 3kie s ILE 699 Ca 0.58 1.80 0.08 0.00 -0.26 0.00 0.00 60.65 62.84 3kie s ILE 699 Cb -0.10 -4.18 -0.03 0.00 1.25 0.00 0.00 42.46 39.39 3kie s ILE 699 CO 0.38 0.51 -0.20 -1.10 0.24 0.00 0.00 174.94 174.77 3kie s GLN 700 N -1.17 1.18 0.30 0.37 -1.52 -1.26 -4.54 119.66 113.03 3kie s GLN 700 Ca 0.37 -1.08 -0.28 0.00 -1.95 0.00 0.00 55.36 52.42 3kie s GLN 700 Cb -0.24 -1.39 -0.09 0.00 -0.22 0.00 0.00 33.01 31.07 3kie s GLN 700 CO 0.28 0.33 1.07 -0.47 -0.25 0.00 0.00 175.29 176.25 3kie s TYR 701 N -1.05 3.55 0.10 0.91 5.04 -1.26 -5.04 117.35 119.59 3kie s TYR 701 Ca 0.06 1.71 -0.20 0.00 -2.44 0.00 0.00 57.07 56.20 3kie s TYR 701 Cb -0.10 -3.22 0.05 0.00 0.35 0.00 0.00 41.96 39.05 3kie s TYR 701 CO 0.03 -0.47 0.49 -0.08 -1.34 0.00 0.00 175.55 174.19 3kie s THR 702 N -1.28 0.04 0.30 4.34 -1.32 -1.26 -5.05 115.64 111.41 3kie s THR 702 Ca 0.47 -0.31 -0.15 0.00 -1.21 0.00 0.00 61.69 60.50 3kie s THR 702 Cb -0.29 -1.04 -0.09 0.00 -1.51 0.00 0.00 72.50 69.57 3kie s THR 702 CO 0.37 -0.17 0.71 -0.44 -2.21 0.00 0.00 174.62 172.88 3kie s SER 703 N -2.42 6.78 -0.28 8.08 0.01 -1.26 -5.02 113.70 119.60 3kie s SER 703 Ca -0.01 1.25 -0.29 0.00 1.31 0.00 0.00 55.95 58.21 3kie s SER 703 Cb 0.00 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 3kie s SER 703 CO -0.08 -0.17 1.67 0.20 0.41 0.00 0.00 173.24 175.27 3kie s ASN 704 N -2.23 6.19 0.00 2.44 0.02 -1.26 -4.85 114.94 115.26 3kie s ASN 704 Ca 0.52 1.43 0.14 0.00 -1.02 0.00 0.00 52.86 53.93 3kie s ASN 704 Cb -0.11 -2.53 0.66 0.00 0.02 0.00 0.00 41.25 39.29 3kie s ASN 704 CO 0.18 -1.44 1.41 0.00 0.02 0.00 0.00 177.10 177.27 3kie n TYR 705 N 9.16 0.00 -1.22 2.20 0.18 -1.26 -4.82 117.16 121.40 3kie n TYR 705 Ca 0.20 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.66 3kie n TYR 705 Cb 0.46 -0.38 0.10 0.00 -0.38 0.00 0.00 39.34 39.14 3kie n TYR 705 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 3kie s ASN 706 N -2.77 4.20 0.01 9.48 0.01 -1.26 -4.92 114.94 119.70 3kie s ASN 706 Ca 0.10 1.98 -0.32 0.00 -0.71 0.00 0.00 52.86 53.92 3kie s ASN 706 Cb 0.09 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 39.11 3kie s ASN 706 CO 0.23 -2.24 1.91 1.17 -1.51 0.00 0.00 177.10 176.66 3kie n LYS 707 N -3.44 2.60 -4.30 -0.60 4.81 -1.26 -4.96 118.16 111.01 3kie n LYS 707 Ca 0.10 0.95 -0.18 0.00 -0.87 0.00 0.00 58.31 58.31 3kie n LYS 707 Cb 0.52 -2.85 -0.11 0.00 0.02 0.00 0.00 35.03 32.61 3kie n LYS 707 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kie s SER 708 N 3.95 2.34 0.00 3.14 0.15 -1.26 -5.10 113.70 116.93 3kie s SER 708 Ca 0.89 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.60 3kie s SER 708 Cb -0.54 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 3kie s SER 708 CO 0.45 -0.16 0.21 0.52 1.20 0.00 0.00 173.24 175.45 3kie n VAL 709 N 0.00 0.00 -3.99 4.45 0.31 -1.26 -4.90 118.33 112.94 3kie n VAL 709 Ca -0.11 0.56 -0.23 0.00 -0.01 0.00 0.00 64.34 64.55 3kie n VAL 709 Cb 0.59 -1.27 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 3kie n VAL 709 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3kie s ASN 710 N -1.71 6.16 -0.01 4.52 0.02 -1.26 -5.09 114.94 117.56 3kie s ASN 710 Ca 0.00 0.05 -0.25 0.00 -1.02 0.00 0.00 52.86 51.63 3kie s ASN 710 Cb 0.00 -1.78 -0.04 0.00 0.02 0.00 0.00 41.25 39.44 3kie s ASN 710 CO 0.00 -0.02 0.78 -0.69 0.02 0.00 0.00 177.10 177.20 3kie s VAL 711 N -1.90 4.90 0.12 1.60 1.01 -1.26 -5.00 120.40 119.86 3kie s VAL 711 Ca 0.34 1.64 -0.34 0.00 0.00 0.00 0.00 61.98 63.61 3kie s VAL 711 Cb -0.10 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.02 3kie s VAL 711 CO 0.28 0.27 1.62 0.47 0.00 0.00 0.00 175.10 177.74 3kie n ASP 712 N 3.46 3.08 -2.74 3.32 8.00 -1.26 -3.37 116.55 127.05 3kie n ASP 712 Ca -0.00 1.07 -0.02 0.00 0.71 0.00 0.00 54.79 56.55 3kie n ASP 712 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 3kie n ASP 712 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kie n PHE 713 N 3.90 -2.59 -3.50 1.24 3.01 -1.25 -5.04 117.46 113.24 3kie n PHE 713 Ca 0.18 1.01 -0.10 0.00 1.01 0.00 0.00 57.45 59.55 3kie n PHE 713 Cb 0.28 -3.66 -0.02 0.00 -0.01 0.00 0.00 39.48 36.08 3kie n PHE 713 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3kie s THR 714 N -2.81 0.00 0.71 4.37 2.01 -1.22 -4.96 115.64 113.75 3kie s THR 714 Ca 0.06 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 3kie s THR 714 Cb -0.02 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.41 3kie s THR 714 CO 0.62 0.00 1.07 0.68 -0.69 0.00 0.00 174.62 176.30 3kie s VAL 715 N -3.47 3.87 0.00 3.82 -7.23 -1.26 -3.00 120.40 113.13 3kie s VAL 715 Ca 0.04 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 3kie s VAL 715 Cb -0.01 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.63 3kie s VAL 715 CO -0.09 -0.79 0.00 -0.90 -0.31 0.00 0.00 175.10 173.00 3kie n ASP 716 N -3.21 0.17 0.23 4.85 5.68 -1.16 -4.84 116.55 118.26 3kie n ASP 716 Ca 0.08 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.46 3kie n ASP 716 Cb 0.53 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.04 3kie n ASP 716 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kie h THR 717 N 0.00 0.66 0.00 2.12 1.35 -1.98 -3.17 112.91 111.89 3kie h THR 717 Ca 0.00 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 64.85 3kie h THR 717 Cb 0.00 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 3kie h THR 717 CO 0.00 0.22 -0.31 -0.46 -0.25 0.00 0.00 175.52 174.72 3kie n ASN 718 N -3.54 1.78 -1.69 5.36 0.23 -1.26 -5.03 115.26 111.10 3kie n ASN 718 Ca -0.01 -3.19 -0.01 0.00 -0.53 0.00 0.00 54.58 50.84 3kie n ASN 718 Cb 0.37 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3kie n ASN 718 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kie n GLY 719 N -1.03 0.22 2.64 4.83 0.00 -1.20 -5.08 105.19 105.57 3kie n GLY 719 Ca 0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3kie n GLY 719 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kie s VAL 720 N -3.03 0.01 0.32 1.61 1.01 -1.26 -4.87 120.40 114.18 3kie s VAL 720 Ca 0.03 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3kie s VAL 720 Cb -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 3kie s VAL 720 CO 0.08 -0.17 1.30 -0.47 0.00 0.00 0.00 175.10 175.85 3kie s TYR 721 N 2.10 3.09 -0.06 5.22 5.04 -1.26 -2.97 117.35 128.50 3kie s TYR 721 Ca 0.02 1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 56.03 3kie s TYR 721 Cb -0.15 -3.66 0.04 0.00 0.35 0.00 0.00 41.96 38.53 3kie s TYR 721 CO -0.08 -1.82 0.14 -1.54 -1.34 0.00 0.00 175.55 170.90 3kie s SER 722 N -0.43 -0.02 -0.55 4.32 1.04 -1.16 -4.96 113.70 111.95 3kie s SER 722 Ca 0.50 0.28 -0.21 0.00 0.48 0.00 0.00 55.95 57.00 3kie s SER 722 Cb -0.39 0.17 0.06 0.00 0.10 0.00 0.00 66.02 65.96 3kie s SER 722 CO 0.51 -0.16 0.76 -1.61 0.98 0.00 0.00 173.24 173.72 3kie s GLU 723 N 1.27 3.16 0.00 4.02 2.02 -1.26 -3.67 118.70 124.23 3kie s GLU 723 Ca -0.08 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3kie s GLU 723 Cb -0.12 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 29.98 3kie s GLU 723 CO -0.06 -1.42 0.92 -2.30 0.02 0.00 0.00 175.26 172.42 3kie n PRO 724 N 6.71 0.00 -4.52 0.39 -0.02 -1.26 -4.84 135.00 131.46 3kie n PRO 724 Ca -0.05 0.71 -0.25 0.00 -2.02 0.00 0.00 63.50 61.89 3kie n PRO 724 Cb 0.45 -1.42 -0.10 0.00 -0.02 0.00 0.00 33.50 32.41 3kie n PRO 724 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kie s ARG 725 N -2.67 1.77 0.52 -0.52 1.70 -1.26 -5.04 118.95 113.45 3kie s ARG 725 Ca 0.00 -1.90 -0.20 0.00 -0.47 0.00 0.00 55.73 53.16 3kie s ARG 725 Cb 0.00 -1.63 -0.07 0.00 -0.57 0.00 0.00 34.95 32.68 3kie s ARG 725 CO 0.00 0.14 1.08 -2.14 -1.08 0.00 0.00 175.30 173.30 3kie s PRO 726 N -3.62 3.58 -0.24 3.89 0.02 -1.26 -5.03 135.00 132.34 3kie s PRO 726 Ca 0.32 1.45 -0.01 0.00 0.02 0.00 0.00 61.00 62.78 3kie s PRO 726 Cb 0.02 -2.05 0.03 0.00 0.02 0.00 0.00 34.50 32.51 3kie s PRO 726 CO 0.16 -0.63 -0.08 0.42 -0.33 0.00 0.00 177.00 176.53 3kie s ILE 727 N -1.94 2.71 0.69 2.83 -1.09 -1.26 -5.01 121.20 118.14 3kie s ILE 727 Ca 0.69 -1.06 -0.12 0.00 -2.23 0.00 0.00 60.65 57.94 3kie s ILE 727 Cb -0.19 -2.37 0.17 0.00 -1.58 0.00 0.00 42.46 38.49 3kie s ILE 727 CO 0.24 0.23 0.54 0.61 -1.23 0.00 0.00 174.94 175.33 3kie n GLY 728 N 4.64 -2.99 0.00 6.18 0.00 -1.26 -3.23 105.19 108.53 3kie n GLY 728 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3kie n GLY 728 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kie n THR 729 N -3.98 0.00 -3.29 2.61 5.66 -1.26 -4.83 114.28 109.19 3kie n THR 729 Ca 0.08 -0.18 -0.46 0.00 -3.05 0.00 0.00 64.05 60.43 3kie n THR 729 Cb 0.31 0.72 -0.03 0.00 -1.55 0.00 0.00 70.33 69.79 3kie n THR 729 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3kie s ARG 730 N -0.85 3.42 0.00 1.09 0.52 -1.26 -4.27 118.95 117.60 3kie s ARG 730 Ca 0.00 -2.17 0.00 0.00 -0.52 0.00 0.00 55.73 53.04 3kie s ARG 730 Cb 0.00 -4.42 0.00 0.00 0.52 0.00 0.00 34.95 31.05 3kie s ARG 730 CO 0.00 -1.35 0.00 0.66 0.02 0.00 0.00 175.30 174.63 3kie n TYR 731 N 4.58 0.00 -3.93 -0.53 4.02 -1.26 -4.78 117.16 115.27 3kie n TYR 731 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.64 3kie n TYR 731 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 3kie n TYR 731 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3kie s LEU 732 N -2.82 4.32 -0.13 7.72 1.43 -1.25 -4.00 118.68 123.94 3kie s LEU 732 Ca 0.00 0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3kie s LEU 732 Cb 0.00 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 3kie s LEU 732 CO 0.00 0.19 -0.03 0.42 0.23 0.00 0.00 176.35 177.16 3kie s THR 733 N -1.46 4.01 0.13 5.49 -4.23 -1.26 0.69 115.64 119.01 3kie s THR 733 Ca 0.33 -0.33 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 3kie s THR 733 Cb -0.13 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 3kie s THR 733 CO 0.26 0.53 -0.15 -0.60 -0.54 0.00 0.00 174.62 174.11 3kie s ARG 734 N -0.03 1.07 0.34 3.99 3.52 -0.84 -4.90 118.95 122.09 3kie s ARG 734 Ca 0.02 -1.27 -0.05 0.00 -0.13 0.00 0.00 55.73 54.29 3kie s ARG 734 Cb -0.13 -0.98 0.08 0.00 -1.56 0.00 0.00 34.95 32.35 3kie s ARG 734 CO 0.02 0.19 0.46 0.09 -0.81 0.00 0.00 175.30 175.26 3kie n ASN 735 N 0.48 0.11 -0.63 -2.12 4.13 -1.26 -1.81 115.26 114.14 3kie n ASN 735 Ca -0.15 -1.21 0.08 0.00 1.68 0.00 0.00 54.58 54.98 3kie n ASN 735 Cb 0.57 -0.35 0.07 0.00 -1.54 0.00 0.00 39.78 38.53 3kie n ASN 735 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72