#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kic s ALA 218 N 0.00 -0.12 0.00 4.61 0.00 -1.26 -3.99 121.76 121.00 3kic s ALA 218 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3kic s ALA 218 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3kic s ALA 218 CO 0.00 -0.98 0.00 -0.25 0.00 0.00 0.00 175.76 174.53 3kic n ASP 219 N 5.31 0.92 -3.02 0.00 8.00 -1.08 -5.05 116.55 121.63 3kic n ASP 219 Ca -0.05 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.37 3kic n ASP 219 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.61 3kic n ASP 219 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kic n GLY 220 N 2.56 2.36 0.18 0.44 0.00 -1.26 -4.70 105.19 104.76 3kic n GLY 220 Ca 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 3kic n GLY 220 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kic h VAL 221 N 0.25 0.66 -0.32 1.61 2.07 -1.96 -3.30 116.25 115.27 3kic h VAL 221 Ca -0.11 -0.85 -0.22 0.00 0.82 0.00 0.00 66.70 66.35 3kic h VAL 221 Cb 0.44 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3kic h VAL 221 CO 0.16 0.15 0.28 0.61 0.02 0.00 0.00 177.57 178.79 3kic n GLY 222 N 0.22 3.57 2.87 2.17 0.00 -1.26 -4.74 105.19 108.02 3kic n GLY 222 Ca -0.08 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 3kic n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kic s ASN 223 N 0.79 0.81 0.36 1.61 2.47 -1.24 -5.14 114.94 114.61 3kic s ASN 223 Ca 0.21 0.25 -0.28 0.00 0.42 0.00 0.00 52.86 53.46 3kic s ASN 223 Cb 0.16 0.45 -0.11 0.00 -1.45 0.00 0.00 41.25 40.30 3kic s ASN 223 CO -0.00 -0.27 1.50 -0.94 -3.72 0.00 0.00 177.10 173.67 3kic s SER 224 N 2.35 6.36 -0.31 -4.21 1.04 -1.26 -4.51 113.70 113.15 3kic s SER 224 Ca 0.04 3.03 0.07 0.00 0.48 0.00 0.00 55.95 59.56 3kic s SER 224 Cb -0.13 -2.66 0.61 0.00 0.10 0.00 0.00 66.02 63.94 3kic s SER 224 CO -0.09 -0.87 1.69 -1.54 0.98 0.00 0.00 173.24 173.41 3kic n SER 225 N 0.75 4.16 0.00 7.02 3.41 -1.26 -4.97 113.62 122.73 3kic n SER 225 Ca 0.02 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 3kic n SER 225 Cb 0.39 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3kic n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kic n GLY 226 N -0.34 1.70 3.64 5.00 0.00 -1.26 -4.53 105.19 109.41 3kic n GLY 226 Ca 0.40 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 3kic n GLY 226 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kic s ASN 227 N 0.00 3.90 -0.62 1.61 0.02 -1.26 -4.90 114.94 113.69 3kic s ASN 227 Ca 0.00 -1.41 -0.21 0.00 -1.02 0.00 0.00 52.86 50.21 3kic s ASN 227 Cb 0.00 -0.26 0.08 0.00 0.02 0.00 0.00 41.25 41.09 3kic s ASN 227 CO 0.00 -0.51 0.86 0.86 0.02 0.00 0.00 177.10 178.32 3kic s TRP 228 N -2.74 2.81 -0.63 2.20 -0.11 -1.26 -4.98 118.94 114.22 3kic s TRP 228 Ca 0.31 -0.66 -0.08 0.00 1.22 0.00 0.00 56.10 56.89 3kic s TRP 228 Cb 0.09 -4.14 0.16 0.00 -1.50 0.00 0.00 33.47 28.08 3kic s TRP 228 CO 0.16 -1.48 0.50 -1.01 -4.62 0.00 0.00 176.95 170.50 3kic s HIS 229 N 3.52 3.52 -0.33 5.86 3.76 -1.26 -4.99 115.29 125.36 3kic s HIS 229 Ca 0.19 -2.24 0.01 0.00 -0.15 0.00 0.00 55.06 52.86 3kic s HIS 229 Cb -0.19 -3.47 0.10 0.00 1.11 0.00 0.00 32.58 30.13 3kic s HIS 229 CO 0.09 -0.93 0.09 0.00 -0.85 0.00 0.00 174.74 173.14 3kic s ASP 231 N 1.28 -0.02 -0.25 0.00 3.68 -0.89 -4.98 116.67 115.49 3kic s ASP 231 Ca 0.11 -0.94 -0.18 0.00 2.13 0.00 0.00 52.55 53.67 3kic s ASP 231 Cb -0.18 0.75 0.07 0.00 -1.45 0.00 0.00 42.92 42.10 3kic s ASP 231 CO -0.18 -1.44 0.64 -0.94 0.13 0.00 0.00 175.17 173.38 3kic s SER 232 N -3.02 -0.78 0.02 -0.34 1.04 -1.26 -0.43 113.70 108.93 3kic s SER 232 Ca 0.16 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.94 3kic s SER 232 Cb -0.04 1.29 -0.02 0.00 0.10 0.00 0.00 66.02 67.35 3kic s SER 232 CO 0.10 -0.23 -0.01 0.00 0.98 0.00 0.00 173.24 174.08 3kic s GLN 233 N 1.05 0.35 -0.00 4.02 1.03 -1.07 -5.02 119.66 120.03 3kic s GLN 233 Ca -0.06 -0.63 -0.00 0.00 0.04 0.00 0.00 55.36 54.71 3kic s GLN 233 Cb -0.05 0.13 -0.04 0.00 0.03 0.00 0.00 33.01 33.08 3kic s GLN 233 CO -0.10 -0.06 0.07 -1.58 -2.54 0.00 0.00 175.29 171.08 3kic s TRP 234 N -1.63 3.26 -0.09 9.60 0.52 -1.26 -2.39 118.94 126.95 3kic s TRP 234 Ca -0.14 0.19 0.13 0.00 0.02 0.00 0.00 56.10 56.30 3kic s TRP 234 Cb -0.08 -1.73 0.20 0.00 -1.15 0.00 0.00 33.47 30.70 3kic s TRP 234 CO -0.01 0.54 1.10 1.28 0.02 0.00 0.00 176.95 179.88 3kic n LEU 235 N 1.17 2.22 0.00 2.99 7.99 0.11 -4.98 117.00 126.50 3kic n LEU 235 Ca -0.13 -2.73 0.00 0.00 -0.01 0.00 0.00 56.01 53.14 3kic n LEU 235 Cb 0.53 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 3kic n LEU 235 CO 0.38 0.64 0.00 0.61 -1.51 0.00 0.00 177.39 177.51 3kic n GLY 236 N -1.13 1.27 0.00 -0.72 0.00 -1.26 -4.15 105.19 99.20 3kic n GLY 236 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 3kic n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kic n ASP 237 N 0.46 0.62 -3.65 1.61 2.03 -1.26 -4.91 116.55 111.44 3kic n ASP 237 Ca 0.00 -0.60 -0.06 0.00 0.52 0.00 0.00 54.79 54.65 3kic n ASP 237 Cb 0.00 1.03 -0.02 0.00 -0.72 0.00 0.00 41.12 41.41 3kic n ASP 237 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kic s ARG 238 N -1.72 1.13 -0.01 -0.67 1.70 -1.26 -2.36 118.95 115.75 3kic s ARG 238 Ca 0.02 -0.55 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 3kic s ARG 238 Cb 0.05 0.43 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 3kic s ARG 238 CO 0.28 -0.51 -0.01 0.54 -1.08 0.00 0.00 175.30 174.52 3kic s VAL 239 N -3.33 0.16 -0.21 4.99 0.11 -0.06 0.03 120.40 122.10 3kic s VAL 239 Ca 0.09 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3kic s VAL 239 Cb -0.02 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 3kic s VAL 239 CO -0.02 0.09 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.16 3kic s ILE 240 N 0.42 3.45 -0.16 7.04 1.09 -1.01 -0.52 121.20 131.52 3kic s ILE 240 Ca -0.04 -0.47 -0.04 0.00 -1.10 0.00 0.00 60.65 59.00 3kic s ILE 240 Cb -0.07 -2.56 -0.03 0.00 -1.06 0.00 0.00 42.46 38.74 3kic s ILE 240 CO -0.01 0.43 -0.03 0.42 -0.10 0.00 0.00 174.94 175.65 3kic s THR 241 N 1.35 3.97 -0.05 2.92 -4.23 -0.62 -2.59 115.64 116.40 3kic s THR 241 Ca 0.04 -0.33 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 3kic s THR 241 Cb -0.14 -2.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 3kic s THR 241 CO -0.02 0.49 -0.23 -0.89 -0.54 0.00 0.00 174.62 173.43 3kic s THR 242 N 0.41 2.28 -0.03 3.99 2.01 0.43 -1.05 115.64 123.68 3kic s THR 242 Ca -0.03 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 3kic s THR 242 Cb -0.14 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.57 3kic s THR 242 CO 0.03 0.58 0.06 -0.55 -0.69 0.00 0.00 174.62 174.04 3kic s SER 243 N -0.41 0.50 -0.01 3.53 0.15 -0.72 -2.10 113.70 114.64 3kic s SER 243 Ca 0.04 0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.85 3kic s SER 243 Cb -0.12 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 3kic s SER 243 CO 0.01 -0.18 -0.23 -0.89 1.20 0.00 0.00 173.24 173.15 3kic s THR 244 N 1.56 1.80 0.06 6.45 2.01 -1.25 -0.79 115.64 125.49 3kic s THR 244 Ca -0.03 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 3kic s THR 244 Cb -0.12 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 3kic s THR 244 CO -0.03 0.49 0.03 -0.13 -0.69 0.00 0.00 174.62 174.29 3kic s ARG 245 N -0.58 0.66 -0.07 4.92 1.81 -0.65 -4.89 118.95 120.14 3kic s ARG 245 Ca 0.09 -1.11 -0.12 0.00 -1.72 0.00 0.00 55.73 52.87 3kic s ARG 245 Cb -0.09 0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 34.60 3kic s ARG 245 CO -0.01 -0.15 0.29 0.99 -0.68 0.00 0.00 175.30 175.74 3kic s THR 246 N -3.75 5.25 0.10 0.02 2.01 -1.26 -1.34 115.64 116.67 3kic s THR 246 Ca 0.05 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.66 3kic s THR 246 Cb 0.06 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3kic s THR 246 CO -0.10 0.56 -0.14 -1.66 -0.69 0.00 0.00 174.62 172.59 3kic s TRP 247 N -0.79 1.33 0.01 4.92 1.48 -0.15 -2.30 118.94 123.44 3kic s TRP 247 Ca 0.19 -0.52 0.05 0.00 -1.06 0.00 0.00 56.10 54.76 3kic s TRP 247 Cb -0.14 -0.72 -0.01 0.00 -1.16 0.00 0.00 33.47 31.43 3kic s TRP 247 CO 0.08 0.10 -0.14 0.00 -4.06 0.00 0.00 176.95 172.94 3kic s ALA 248 N -1.79 1.17 -0.12 2.67 0.00 -0.87 -2.12 121.76 120.70 3kic s ALA 248 Ca 0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3kic s ALA 248 Cb -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.83 3kic s ALA 248 CO 0.03 0.26 -0.04 -1.17 0.00 0.00 0.00 175.76 174.84 3kic s LEU 249 N -0.63 1.13 0.00 0.00 2.96 0.17 -1.94 118.68 120.37 3kic s LEU 249 Ca 0.04 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3kic s LEU 249 Cb -0.06 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.90 3kic s LEU 249 CO 0.00 -0.18 0.00 -2.65 -1.32 0.00 0.00 176.35 172.21 3kic n PRO 250 N 4.99 0.26 -3.63 0.98 -0.02 -1.26 -0.15 135.00 136.16 3kic n PRO 250 Ca -0.10 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.98 3kic n PRO 250 Cb 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.88 3kic n PRO 250 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kic s THR 251 N -0.70 3.94 0.48 3.45 2.01 -1.26 -4.69 115.64 118.87 3kic s THR 251 Ca 0.00 -2.08 -0.21 0.00 0.31 0.00 0.00 61.69 59.71 3kic s THR 251 Cb 0.00 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 3kic s THR 251 CO 0.00 -0.78 1.04 -0.31 -0.69 0.00 0.00 174.62 173.88 3kic s TYR 252 N 1.02 3.02 -0.61 4.92 1.51 -1.26 -3.59 117.35 122.36 3kic s TYR 252 Ca 0.09 1.58 0.00 0.00 -1.01 0.00 0.00 57.07 57.73 3kic s TYR 252 Cb -0.23 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 3kic s TYR 252 CO -0.03 -0.83 0.00 0.09 -1.11 0.00 0.00 175.55 173.68 3kic n ASN 253 N -0.85 -3.30 -3.60 2.29 5.03 -1.26 -1.74 115.26 111.84 3kic n ASN 253 Ca 0.09 0.14 -0.24 0.00 0.87 0.00 0.00 54.58 55.44 3kic n ASN 253 Cb 0.52 -2.59 0.07 0.00 -1.02 0.00 0.00 39.78 36.76 3kic n ASN 253 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3kic n ASN 254 N 0.20 -6.27 -1.69 6.41 2.85 -1.24 -1.26 115.26 114.27 3kic n ASN 254 Ca -0.06 -0.55 -0.16 0.00 -0.11 0.00 0.00 54.58 53.70 3kic n ASN 254 Cb 0.34 -4.94 -0.02 0.00 1.24 0.00 0.00 39.78 36.39 3kic n ASN 254 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3kic n HIS 255 N -4.97 -0.56 -4.82 1.20 8.25 -0.71 -5.00 115.22 108.61 3kic n HIS 255 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 3kic n HIS 255 Cb 0.56 -3.19 -0.15 0.00 1.12 0.00 0.00 29.99 28.34 3kic n HIS 255 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kic s LEU 256 N -4.42 2.14 -0.27 2.41 1.43 -0.39 -4.93 118.68 114.65 3kic s LEU 256 Ca 0.00 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 3kic s LEU 256 Cb 0.00 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 3kic s LEU 256 CO 0.00 0.21 0.63 -0.31 0.23 0.00 0.00 176.35 177.12 3kic s TYR 257 N -0.74 3.26 -0.09 0.29 1.51 -1.26 -3.88 117.35 116.44 3kic s TYR 257 Ca 0.09 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 56.93 3kic s TYR 257 Cb -0.09 -2.89 -0.01 0.00 -0.11 0.00 0.00 41.96 38.85 3kic s TYR 257 CO 0.01 -0.37 -0.17 0.15 -1.11 0.00 0.00 175.55 174.06 3kic s LYS 258 N 2.54 2.95 0.01 -0.62 1.02 -0.37 -4.95 119.74 120.32 3kic s LYS 258 Ca 0.26 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 3kic s LYS 258 Cb -0.15 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 3kic s LYS 258 CO 0.09 0.35 1.16 -1.14 -0.92 0.00 0.00 175.35 174.89 3kic s GLN 259 N -0.03 4.43 0.19 1.68 0.74 -1.26 -0.14 119.66 125.26 3kic s GLN 259 Ca -0.05 1.68 0.11 0.00 0.05 0.00 0.00 55.36 57.15 3kic s GLN 259 Cb -0.14 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3kic s GLN 259 CO 0.04 -0.28 -0.22 0.96 -0.55 0.00 0.00 175.29 175.24 3kic s ILE 260 N 1.42 2.19 0.03 -2.34 -4.36 -0.29 -4.93 121.20 112.91 3kic s ILE 260 Ca 0.57 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.94 3kic s ILE 260 Cb -0.26 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.41 3kic s ILE 260 CO 0.27 -0.18 0.08 -1.54 0.24 0.00 0.00 174.94 173.80 3kic n SER 261 N 0.26 -0.18 -4.85 4.36 3.41 -1.26 -1.53 113.62 113.83 3kic n SER 261 Ca -0.13 -1.12 -0.32 0.00 -0.26 0.00 0.00 58.87 57.05 3kic n SER 261 Cb 0.56 0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.76 3kic n SER 261 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kic s SER 262 N -1.20 6.77 0.23 4.04 1.04 -1.02 -4.95 113.70 118.62 3kic s SER 262 Ca 0.02 1.35 -0.32 0.00 0.48 0.00 0.00 55.95 57.49 3kic s SER 262 Cb -0.00 -2.40 -0.12 0.00 0.10 0.00 0.00 66.02 63.59 3kic s SER 262 CO 0.01 -0.27 1.66 1.67 0.98 0.00 0.00 173.24 177.29 3kic n GLN 263 N -0.56 2.67 -1.49 4.02 0.00 -1.26 -4.77 117.38 115.99 3kic n GLN 263 Ca 0.04 0.96 -0.17 0.00 -0.00 0.00 0.00 57.00 57.83 3kic n GLN 263 Cb 0.53 -2.77 -0.15 0.00 0.00 0.00 0.00 30.24 27.86 3kic n GLN 263 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3kic n SER 264 N 3.32 -0.13 -1.26 1.69 7.64 -1.26 -1.26 113.62 122.35 3kic n SER 264 Ca 0.14 -1.07 -0.05 0.00 1.01 0.00 0.00 58.87 58.89 3kic n SER 264 Cb 0.35 -1.03 0.02 0.00 -1.01 0.00 0.00 64.21 62.54 3kic n SER 264 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kic n GLY 265 N 5.96 0.56 0.13 0.23 0.00 -1.26 -4.99 105.19 105.82 3kic n GLY 265 Ca 0.54 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3kic n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kic n ALA 266 N -2.90 1.04 -3.33 4.61 0.00 -0.39 -5.03 120.51 114.51 3kic n ALA 266 Ca -0.01 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.55 3kic n ALA 266 Cb 0.52 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 3kic n ALA 266 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kic s SER 267 N -6.92 -0.46 -0.25 0.00 0.15 -1.26 -5.09 113.70 99.87 3kic s SER 267 Ca -0.28 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.46 3kic s SER 267 Cb 0.08 0.50 -0.12 0.00 -1.71 0.00 0.00 66.02 64.77 3kic s SER 267 CO 0.68 -0.73 -0.31 -3.20 1.20 0.00 0.00 173.24 170.88 3kic n ASN 268 N 0.37 1.86 0.00 5.45 4.05 -1.26 -4.04 115.26 121.69 3kic n ASN 268 Ca -0.18 0.24 0.12 0.00 0.45 0.00 0.00 54.58 55.21 3kic n ASN 268 Cb 0.60 -0.69 0.70 0.00 1.23 0.00 0.00 39.78 41.62 3kic n ASN 268 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3kic n ASP 269 N -3.99 0.00 -0.09 1.20 8.00 -1.26 -2.64 116.55 117.76 3kic n ASP 269 Ca -0.49 -1.01 0.01 0.00 0.71 0.00 0.00 54.79 54.01 3kic n ASP 269 Cb 0.87 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 42.00 3kic n ASP 269 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kic n ASN 270 N -0.92 2.16 -4.76 -2.24 5.03 -1.26 -4.82 115.26 108.44 3kic n ASN 270 Ca 0.18 -2.08 -0.41 0.00 0.87 0.00 0.00 54.58 53.14 3kic n ASN 270 Cb 0.08 -0.06 -0.01 0.00 -1.02 0.00 0.00 39.78 38.77 3kic n ASN 270 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3kic s HIS 271 N -1.13 2.74 0.17 3.10 3.76 -1.08 -4.91 115.29 117.94 3kic s HIS 271 Ca 0.05 1.04 -0.21 0.00 -0.15 0.00 0.00 55.06 55.80 3kic s HIS 271 Cb 0.04 -3.98 0.05 0.00 1.11 0.00 0.00 32.58 29.79 3kic s HIS 271 CO 0.02 -3.06 0.57 1.52 -0.85 0.00 0.00 174.74 172.95 3kic s TYR 272 N -0.60 -0.38 -0.12 1.40 -0.85 -1.23 -4.91 117.35 110.66 3kic s TYR 272 Ca 0.57 0.10 -0.09 0.00 -0.52 0.00 0.00 57.07 57.13 3kic s TYR 272 Cb -0.46 0.50 0.04 0.00 0.38 0.00 0.00 41.96 42.42 3kic s TYR 272 CO 0.55 -0.88 0.31 0.12 -1.52 0.00 0.00 175.55 174.13 3kic s PHE 273 N -3.80 -0.39 0.00 -3.49 5.36 -1.26 -2.43 117.98 111.97 3kic s PHE 273 Ca 0.04 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 3kic s PHE 273 Cb -0.01 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 3kic s PHE 273 CO -0.09 -0.22 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 3kic n GLY 274 N 3.52 1.43 3.09 13.12 0.00 -0.58 -0.50 105.19 125.27 3kic n GLY 274 Ca -0.18 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 3kic n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kic s TYR 275 N -2.09 0.56 -0.13 1.61 1.51 -0.98 -1.14 117.35 116.68 3kic s TYR 275 Ca 0.00 -1.00 0.02 0.00 -1.01 0.00 0.00 57.07 55.08 3kic s TYR 275 Cb 0.00 -0.39 0.01 0.00 -0.11 0.00 0.00 41.96 41.47 3kic s TYR 275 CO 0.00 -0.33 -0.20 0.45 -1.11 0.00 0.00 175.55 174.37 3kic s SER 276 N -2.81 2.91 0.17 2.29 0.15 0.80 -2.75 113.70 114.46 3kic s SER 276 Ca 0.06 -0.55 0.05 0.00 0.70 0.00 0.00 55.95 56.21 3kic s SER 276 Cb 0.06 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.00 3kic s SER 276 CO -0.08 0.05 0.14 0.42 1.20 0.00 0.00 173.24 174.96 3kic s THR 277 N 0.93 4.44 -2.00 6.45 -4.23 -0.95 -1.24 115.64 119.04 3kic s THR 277 Ca -0.06 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3kic s THR 277 Cb -0.15 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.44 3kic s THR 277 CO -0.03 -0.13 0.90 -2.65 -0.54 0.00 0.00 174.62 172.17 3kic n PRO 278 N -0.42 0.86 -3.78 3.99 -0.02 -1.25 -4.45 135.00 129.93 3kic n PRO 278 Ca -0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.04 3kic n PRO 278 Cb 0.55 -1.02 -0.06 0.00 -0.02 0.00 0.00 33.50 32.96 3kic n PRO 278 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kic s TRP 279 N -2.00 3.60 0.53 6.00 0.52 -1.26 -4.31 118.94 122.02 3kic s TRP 279 Ca 0.01 0.59 0.08 0.00 0.02 0.00 0.00 56.10 56.81 3kic s TRP 279 Cb 0.01 -2.00 0.09 0.00 -1.15 0.00 0.00 33.47 30.42 3kic s TRP 279 CO 0.01 0.66 0.73 0.41 0.02 0.00 0.00 176.95 178.78 3kic n GLY 280 N 1.43 1.92 3.47 0.98 0.00 0.11 -0.25 105.19 112.85 3kic n GLY 280 Ca -0.14 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.52 3kic n GLY 280 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kic s TYR 281 N -2.27 -0.60 -0.10 1.61 -0.85 -0.99 -2.08 117.35 112.08 3kic s TYR 281 Ca 0.55 0.73 -0.10 0.00 -0.52 0.00 0.00 57.07 57.73 3kic s TYR 281 Cb -0.04 0.48 -0.05 0.00 0.38 0.00 0.00 41.96 42.74 3kic s TYR 281 CO 0.35 -0.73 0.23 -0.06 -1.52 0.00 0.00 175.55 173.82 3kic s PHE 282 N -2.46 3.60 -0.02 -3.49 0.40 -0.82 -4.04 117.98 111.15 3kic s PHE 282 Ca -0.05 0.64 0.02 0.00 -0.60 0.00 0.00 56.93 56.94 3kic s PHE 282 Cb -0.01 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.43 3kic s PHE 282 CO -0.01 0.62 -0.08 0.34 0.70 0.00 0.00 175.22 176.79 3kic s ASP 283 N -0.76 1.00 -0.28 1.36 3.68 -1.26 -4.49 116.67 115.92 3kic s ASP 283 Ca 0.17 -0.15 0.19 0.00 2.13 0.00 0.00 52.55 54.89 3kic s ASP 283 Cb -0.13 -0.22 0.47 0.00 -1.45 0.00 0.00 42.92 41.58 3kic s ASP 283 CO 0.06 0.06 1.28 2.22 0.13 0.00 0.00 175.17 178.92 3kic n PHE 284 N 3.19 -0.03 0.44 -5.34 1.16 -1.26 -2.82 117.46 112.79 3kic n PHE 284 Ca -0.17 -1.94 -0.04 0.00 -1.87 0.00 0.00 57.45 53.43 3kic n PHE 284 Cb 0.55 0.46 0.06 0.00 -1.61 0.00 0.00 39.48 38.95 3kic n PHE 284 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3kic n ASN 285 N -0.94 2.94 -4.37 5.98 4.05 -1.26 -4.80 115.26 116.86 3kic n ASN 285 Ca -0.03 -2.38 -0.31 0.00 0.45 0.00 0.00 54.58 52.32 3kic n ASN 285 Cb 0.83 -0.58 -0.15 0.00 1.23 0.00 0.00 39.78 41.12 3kic n ASN 285 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3kic s ARG 286 N -1.03 2.06 0.28 1.20 0.52 -1.26 -1.44 118.95 119.28 3kic s ARG 286 Ca 0.15 -0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3kic s ARG 286 Cb 0.12 -2.09 0.41 0.00 0.52 0.00 0.00 34.95 33.91 3kic s ARG 286 CO 0.03 0.55 1.79 0.74 0.02 0.00 0.00 175.30 178.44 3kic h PHE 287 N 5.10 0.76 0.00 -0.53 -1.00 -1.48 -2.46 116.94 117.33 3kic h PHE 287 Ca -0.45 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.23 3kic h PHE 287 Cb 1.14 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.48 3kic h PHE 287 CO 0.46 0.71 0.00 -2.39 -1.61 0.00 0.00 178.31 175.48 3kic n HIS 288 N -4.23 0.00 0.25 -0.55 1.44 0.17 -1.49 115.22 110.81 3kic n HIS 288 Ca 0.02 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.88 3kic n HIS 288 Cb 0.28 -0.13 0.51 0.00 0.12 0.00 0.00 29.99 30.77 3kic n HIS 288 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kic n HIS 290 N -3.13 0.00 -3.33 0.00 8.25 -0.55 -4.80 115.22 111.65 3kic n HIS 290 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 3kic n HIS 290 Cb 0.39 0.05 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 3kic n HIS 290 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kic s PHE 291 N -1.88 3.28 0.79 4.41 0.40 -0.64 -4.79 117.98 119.56 3kic s PHE 291 Ca 0.00 0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 56.76 3kic s PHE 291 Cb 0.00 -2.62 0.07 0.00 0.51 0.00 0.00 43.02 40.98 3kic s PHE 291 CO 0.00 -0.20 1.10 -1.54 0.70 0.00 0.00 175.22 175.28 3kic s SER 292 N 1.48 4.27 0.16 1.36 1.04 -1.26 -4.55 113.70 116.19 3kic s SER 292 Ca 0.18 1.88 -0.17 0.00 0.48 0.00 0.00 55.95 58.32 3kic s SER 292 Cb -0.16 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.51 3kic s SER 292 CO 0.09 -2.20 1.68 -0.65 0.98 0.00 0.00 173.24 173.15 3kic h PRO 293 N -1.23 0.02 -0.79 4.02 0.11 -1.96 -0.53 132.00 131.63 3kic h PRO 293 Ca -0.43 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.78 3kic h PRO 293 Cb 1.24 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 3kic h PRO 293 CO 0.50 0.01 0.43 -0.09 -0.21 0.00 0.00 178.00 178.64 3kic h ARG 294 N 0.02 0.68 -0.13 1.05 9.65 -2.00 -1.15 114.38 122.50 3kic h ARG 294 Ca 0.17 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3kic h ARG 294 Cb 0.26 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3kic h ARG 294 CO -0.36 0.45 0.04 -0.44 2.80 0.00 0.00 179.97 182.47 3kic h ASP 295 N 0.71 0.19 -0.97 -3.80 3.32 -1.70 -2.10 116.42 112.07 3kic h ASP 295 Ca 0.39 -0.21 0.18 0.00 0.02 0.00 0.00 57.03 57.41 3kic h ASP 295 Cb 0.41 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.82 3kic h ASP 295 CO -0.27 0.35 0.61 -0.25 -1.72 0.00 0.00 179.24 177.96 3kic h TRP 296 N 0.02 0.90 -0.57 4.55 2.91 -0.39 0.69 115.95 124.05 3kic h TRP 296 Ca 0.04 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 3kic h TRP 296 Cb 0.23 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.58 3kic h TRP 296 CO 0.00 0.24 0.15 0.37 -1.03 0.00 0.00 178.44 178.17 3kic h GLN 297 N 0.68 0.91 -0.52 2.65 4.15 -0.72 0.13 115.11 122.39 3kic h GLN 297 Ca 0.53 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 3kic h GLN 297 Cb 0.93 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 3kic h GLN 297 CO -0.29 0.84 0.24 0.00 -1.93 0.00 0.00 178.83 177.69 3kic h ARG 298 N 0.82 0.76 0.45 1.69 3.08 -0.29 -1.81 114.38 119.08 3kic h ARG 298 Ca 0.18 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3kic h ARG 298 Cb 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3kic h ARG 298 CO 0.00 0.64 -0.22 1.25 -1.07 0.00 0.00 179.97 180.58 3kic h LEU 299 N 0.70 -0.51 -0.75 3.04 6.46 -0.91 -3.20 115.31 120.13 3kic h LEU 299 Ca 0.18 -0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.96 3kic h LEU 299 Cb 0.14 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.13 3kic h LEU 299 CO -0.02 -0.23 0.41 0.40 -0.62 0.00 0.00 178.44 178.38 3kic h ILE 300 N -0.79 0.90 -0.04 4.05 1.08 -0.68 -2.83 117.51 119.20 3kic h ILE 300 Ca -0.06 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3kic h ILE 300 Cb 0.55 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 3kic h ILE 300 CO 0.10 0.13 0.00 0.59 -0.69 0.00 0.00 178.15 178.28 3kic n ASN 301 N -4.79 1.03 0.00 1.72 3.02 -0.69 -4.29 115.26 111.27 3kic n ASN 301 Ca 0.12 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3kic n ASN 301 Cb 0.26 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3kic n ASN 301 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kic n ASN 302 N -0.16 0.04 -3.99 6.41 3.02 -1.08 -4.92 115.26 114.57 3kic n ASN 302 Ca 0.19 -0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 54.23 3kic n ASN 302 Cb 0.26 0.23 -0.17 0.00 -0.61 0.00 0.00 39.78 39.50 3kic n ASN 302 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kic s ASN 303 N -0.23 2.04 0.57 6.41 0.01 -1.12 -3.42 114.94 119.20 3kic s ASN 303 Ca 0.00 -0.33 0.30 0.00 -0.71 0.00 0.00 52.86 52.12 3kic s ASN 303 Cb 0.00 -0.88 1.45 0.00 0.41 0.00 0.00 41.25 42.23 3kic s ASN 303 CO 0.00 -0.02 1.86 -0.50 -1.51 0.00 0.00 177.10 176.93 3kic h TRP 304 N 7.49 0.00 -2.10 2.20 -0.00 -1.15 -3.41 115.95 118.98 3kic h TRP 304 Ca -0.31 0.00 0.35 0.00 -0.00 0.00 0.00 58.89 58.93 3kic h TRP 304 Cb 1.16 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 30.26 3kic h TRP 304 CO 0.48 0.00 0.91 0.41 -0.00 0.00 0.00 178.44 180.24 3kic n GLY 305 N -1.61 0.20 3.75 1.49 0.00 -1.14 -2.32 105.19 105.55 3kic n GLY 305 Ca 0.14 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 3kic n GLY 305 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kic s PHE 306 N -2.04 -0.13 0.10 1.61 -0.12 -1.25 -0.92 117.98 115.23 3kic s PHE 306 Ca 0.30 -0.17 -0.26 0.00 -0.05 0.00 0.00 56.93 56.75 3kic s PHE 306 Cb -0.01 0.64 0.08 0.00 -0.63 0.00 0.00 43.02 43.10 3kic s PHE 306 CO -0.01 -0.80 0.85 -0.98 -0.05 0.00 0.00 175.22 174.23 3kic s ARG 307 N -3.25 1.11 0.49 1.99 1.70 -0.57 -1.25 118.95 119.17 3kic s ARG 307 Ca 0.12 -0.51 -0.13 0.00 -0.47 0.00 0.00 55.73 54.74 3kic s ARG 307 Cb -0.01 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 3kic s ARG 307 CO 0.02 -0.50 0.90 -2.14 -1.08 0.00 0.00 175.30 172.51 3kic s PRO 308 N -3.35 3.83 0.14 3.89 0.02 -1.26 -0.94 135.00 137.33 3kic s PRO 308 Ca 0.07 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.81 3kic s PRO 308 Cb -0.02 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3kic s PRO 308 CO -0.04 -0.22 0.00 1.63 -0.33 0.00 0.00 177.00 178.04 3kic n LYS 309 N -1.65 0.00 -4.54 5.54 4.76 0.15 -4.72 118.16 117.70 3kic n LYS 309 Ca 0.05 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.23 3kic n LYS 309 Cb 0.54 -0.19 -0.09 0.00 -1.84 0.00 0.00 35.03 33.45 3kic n LYS 309 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kic s LYS 310 N -1.72 1.87 -0.24 1.97 1.02 -1.20 -1.02 119.74 120.43 3kic s LYS 310 Ca 0.00 -2.11 -0.17 0.00 0.02 0.00 0.00 55.97 53.71 3kic s LYS 310 Cb 0.00 -0.92 0.07 0.00 -0.52 0.00 0.00 37.83 36.46 3kic s LYS 310 CO 0.00 -0.32 0.61 -1.17 -0.92 0.00 0.00 175.35 173.55 3kic s LEU 311 N -3.61 -0.57 -0.11 3.17 2.96 0.26 -2.52 118.68 118.25 3kic s LEU 311 Ca 0.26 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 3kic s LEU 311 Cb 0.05 2.10 0.02 0.00 0.50 0.00 0.00 46.19 48.86 3kic s LEU 311 CO 0.13 -0.22 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.39 3kic s SER 312 N 1.09 2.28 -0.08 3.68 0.01 0.67 -0.60 113.70 120.75 3kic s SER 312 Ca -0.06 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.86 3kic s SER 312 Cb -0.05 -0.95 -0.02 0.00 0.21 0.00 0.00 66.02 65.20 3kic s SER 312 CO -0.11 -0.06 -0.14 0.12 0.41 0.00 0.00 173.24 173.46 3kic s PHE 313 N 1.41 2.74 -0.09 2.43 5.36 0.26 -0.94 117.98 129.16 3kic s PHE 313 Ca 0.01 -0.31 -0.04 0.00 -0.96 0.00 0.00 56.93 55.62 3kic s PHE 313 Cb -0.13 -1.70 0.04 0.00 -0.34 0.00 0.00 43.02 40.89 3kic s PHE 313 CO -0.06 0.06 0.20 0.21 -1.46 0.00 0.00 175.22 174.16 3kic s LYS 314 N -0.38 0.16 -0.06 10.12 2.20 -0.61 -1.17 119.74 130.00 3kic s LYS 314 Ca 0.04 0.44 0.04 0.00 -0.36 0.00 0.00 55.97 56.14 3kic s LYS 314 Cb -0.12 -0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 3kic s LYS 314 CO 0.02 -0.16 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.16 3kic s LEU 315 N 1.16 2.46 0.26 5.43 1.43 -0.48 -0.57 118.68 128.36 3kic s LEU 315 Ca -0.09 -0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 52.47 3kic s LEU 315 Cb -0.10 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.69 3kic s LEU 315 CO -0.07 0.28 0.90 0.72 0.23 0.00 0.00 176.35 178.41 3kic s PHE 316 N -0.37 0.02 -1.37 0.29 -0.12 -0.99 -0.99 117.98 114.46 3kic s PHE 316 Ca 0.03 -0.51 -0.02 0.00 -0.05 0.00 0.00 56.93 56.38 3kic s PHE 316 Cb -0.12 0.74 -0.00 0.00 -0.63 0.00 0.00 43.02 43.01 3kic s PHE 316 CO 0.02 -1.17 0.47 0.09 -0.05 0.00 0.00 175.22 174.58 3kic n ASN 317 N -1.07 -0.80 -4.76 1.98 5.03 -1.26 -1.45 115.26 112.93 3kic n ASN 317 Ca -0.06 -1.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.00 3kic n ASN 317 Cb 0.60 -3.13 -0.06 0.00 -1.02 0.00 0.00 39.78 36.17 3kic n ASN 317 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3kic s ILE 318 N -3.90 4.27 -0.05 2.41 1.01 -1.26 -4.06 121.20 119.62 3kic s ILE 318 Ca 0.05 1.90 -0.00 0.00 0.00 0.00 0.00 60.65 62.60 3kic s ILE 318 Cb -0.02 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.24 3kic s ILE 318 CO 0.88 0.49 -0.01 -1.10 0.00 0.00 0.00 174.94 175.20 3kic s GLN 319 N -0.99 0.54 -0.26 2.79 -0.21 0.14 -4.45 119.66 117.22 3kic s GLN 319 Ca 0.39 0.04 -0.08 0.00 0.02 0.00 0.00 55.36 55.74 3kic s GLN 319 Cb -0.24 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.00 3kic s GLN 319 CO 0.29 -0.17 0.08 0.08 -2.12 0.00 0.00 175.29 173.44 3kic s VAL 320 N 1.31 4.34 -0.10 1.09 1.01 -1.26 -0.85 120.40 125.93 3kic s VAL 320 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3kic s VAL 320 Cb -0.13 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3kic s VAL 320 CO -0.02 0.30 -0.10 -0.54 0.00 0.00 0.00 175.10 174.74 3kic s LYS 321 N 1.61 3.09 -0.08 2.72 -0.14 0.08 -1.54 119.74 125.49 3kic s LYS 321 Ca 0.06 -0.62 0.02 0.00 -1.36 0.00 0.00 55.97 54.07 3kic s LYS 321 Cb -0.15 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.35 3kic s LYS 321 CO 0.04 0.42 -0.13 -1.83 -0.76 0.00 0.00 175.35 173.09 3kic s GLU 322 N -0.17 2.80 0.13 1.68 4.04 -0.46 -0.49 118.70 126.23 3kic s GLU 322 Ca 0.01 -0.67 0.09 0.00 0.04 0.00 0.00 54.97 54.44 3kic s GLU 322 Cb -0.13 -2.48 -0.04 0.00 0.02 0.00 0.00 34.13 31.49 3kic s GLU 322 CO 0.03 0.51 -0.18 0.54 -1.84 0.00 0.00 175.26 174.32 3kic s VAL 323 N -0.43 2.81 -0.04 1.83 0.11 -0.79 -1.80 120.40 122.10 3kic s VAL 323 Ca 0.05 -1.55 0.01 0.00 -2.93 0.00 0.00 61.98 57.55 3kic s VAL 323 Cb -0.12 -2.30 0.02 0.00 -1.53 0.00 0.00 36.38 32.45 3kic s VAL 323 CO 0.02 0.07 -0.03 0.42 -3.33 0.00 0.00 175.10 172.26 3kic s THR 324 N -1.21 0.42 -0.85 5.04 -4.23 -0.77 -4.54 115.64 109.51 3kic s THR 324 Ca 0.18 -0.04 -0.16 0.00 -1.18 0.00 0.00 61.69 60.49 3kic s THR 324 Cb -0.10 -0.47 0.17 0.00 1.34 0.00 0.00 72.50 73.44 3kic s THR 324 CO 0.10 0.20 0.91 -1.10 -0.54 0.00 0.00 174.62 174.20 3kic s GLN 325 N 1.01 3.56 -0.08 3.99 1.11 -1.26 -2.43 119.66 125.56 3kic s GLN 325 Ca -0.10 -2.09 -0.11 0.00 0.01 0.00 0.00 55.36 53.08 3kic s GLN 325 Cb -0.14 -4.62 -0.08 0.00 -1.01 0.00 0.00 33.01 27.16 3kic s GLN 325 CO -0.01 -1.51 0.40 -0.91 0.01 0.00 0.00 175.29 173.28 3kic h ASN 326 N 8.32 -0.14 0.00 5.90 2.35 -1.97 -3.48 115.58 126.56 3kic h ASN 326 Ca 0.10 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3kic h ASN 326 Cb 1.04 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3kic h ASN 326 CO 0.93 0.41 0.00 0.47 -1.65 0.00 0.00 177.43 177.59 3kic n ASP 327 N -4.87 0.00 -0.16 5.81 8.00 -1.26 -4.97 116.55 119.10 3kic n ASP 327 Ca -0.04 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.51 3kic n ASP 327 Cb 0.16 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.33 3kic n ASP 327 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kic n GLY 328 N 4.83 3.01 2.98 0.44 0.00 -1.26 -5.04 105.19 110.15 3kic n GLY 328 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 3kic n GLY 328 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kic s THR 329 N -1.71 0.73 -0.37 2.61 -1.32 -1.26 -5.12 115.64 109.20 3kic s THR 329 Ca 0.17 -0.31 -0.17 0.00 -1.21 0.00 0.00 61.69 60.17 3kic s THR 329 Cb 0.15 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 3kic s THR 329 CO 0.02 0.24 0.47 0.42 -2.21 0.00 0.00 174.62 173.55 3kic s THR 330 N 0.36 5.06 -0.11 5.08 -4.23 -1.26 -3.53 115.64 117.01 3kic s THR 330 Ca -0.06 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 3kic s THR 330 Cb -0.10 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.73 3kic s THR 330 CO 0.01 -0.25 0.28 0.42 -0.54 0.00 0.00 174.62 174.54 3kic s THR 331 N 2.28 5.28 -0.14 3.99 -4.23 -1.02 -4.96 115.64 116.84 3kic s THR 331 Ca 0.16 0.54 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 3kic s THR 331 Cb -0.16 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 3kic s THR 331 CO 0.13 0.50 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.92 3kic s ILE 332 N -0.34 2.67 0.17 2.99 1.01 -1.26 -1.84 121.20 124.60 3kic s ILE 332 Ca 0.18 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.07 3kic s ILE 332 Cb -0.14 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 3kic s ILE 332 CO 0.06 0.53 -0.00 0.00 0.00 0.00 0.00 174.94 175.53 3kic s ALA 333 N 0.59 1.35 0.04 9.38 0.00 -0.74 -4.99 121.76 127.38 3kic s ALA 333 Ca -0.09 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 3kic s ALA 333 Cb -0.16 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 3kic s ALA 333 CO 0.03 -0.31 1.11 -0.80 0.00 0.00 0.00 175.76 175.80 3kic s ASN 334 N -3.17 7.19 -0.59 0.00 0.01 -1.26 -1.35 114.94 115.78 3kic s ASN 334 Ca 0.23 1.88 -0.06 0.00 -0.71 0.00 0.00 52.86 54.20 3kic s ASN 334 Cb 0.06 -2.58 0.15 0.00 0.41 0.00 0.00 41.25 39.30 3kic s ASN 334 CO 0.04 -0.39 0.43 0.21 -1.51 0.00 0.00 177.10 175.87 3kic s ASN 335 N 1.04 5.53 0.23 -1.22 3.84 -0.59 -4.86 114.94 118.91 3kic s ASN 335 Ca 0.56 -2.51 0.02 0.00 0.21 0.00 0.00 52.86 51.14 3kic s ASN 335 Cb -0.26 -1.93 0.24 0.00 -0.55 0.00 0.00 41.25 38.75 3kic s ASN 335 CO 0.29 -0.49 1.57 -0.07 -2.79 0.00 0.00 177.10 175.60 3kic h LEU 336 N 7.58 0.40 -0.26 3.21 3.38 -1.95 -3.03 115.31 124.63 3kic h LEU 336 Ca -0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kic h LEU 336 Cb 1.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3kic h LEU 336 CO 0.75 0.86 -0.05 0.35 0.09 0.00 0.00 178.44 180.43 3kic n THR 337 N -3.93 0.00 -2.66 0.22 -2.24 -1.26 -4.35 114.28 100.06 3kic n THR 337 Ca -0.02 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 3kic n THR 337 Cb 0.58 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 3kic n THR 337 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kic s SER 338 N -2.29 6.81 0.49 3.42 0.15 -1.14 -5.04 113.70 116.09 3kic s SER 338 Ca 0.35 1.63 0.03 0.00 0.70 0.00 0.00 55.95 58.66 3kic s SER 338 Cb 0.21 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 3kic s SER 338 CO 0.42 -0.45 0.02 0.42 1.20 0.00 0.00 173.24 174.86 3kic s THR 339 N -2.36 1.41 0.01 6.45 -4.23 -1.26 -4.46 115.64 111.19 3kic s THR 339 Ca 0.61 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.06 3kic s THR 339 Cb -0.09 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3kic s THR 339 CO 0.21 0.00 0.16 0.54 -0.54 0.00 0.00 174.62 174.98 3kic s VAL 340 N -2.83 0.08 -0.13 2.29 0.11 -0.41 -3.07 120.40 116.45 3kic s VAL 340 Ca 0.15 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 3kic s VAL 340 Cb 0.03 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3kic s VAL 340 CO 0.08 -0.38 -0.16 -1.10 -3.33 0.00 0.00 175.10 170.20 3kic s GLN 341 N -1.51 3.25 0.05 1.54 -0.21 -0.13 -0.24 119.66 122.41 3kic s GLN 341 Ca -0.14 -0.75 0.06 0.00 0.02 0.00 0.00 55.36 54.55 3kic s GLN 341 Cb -0.07 -2.56 -0.03 0.00 1.00 0.00 0.00 33.01 31.36 3kic s GLN 341 CO 0.01 0.14 -0.17 0.08 -2.12 0.00 0.00 175.29 173.23 3kic s VAL 342 N 0.51 1.38 0.26 1.09 1.01 -0.40 -1.76 120.40 122.48 3kic s VAL 342 Ca -0.11 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 3kic s VAL 342 Cb -0.16 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.01 3kic s VAL 342 CO 0.04 0.04 0.77 0.72 0.00 0.00 0.00 175.10 176.67 3kic s PHE 343 N -0.92 -0.16 -0.07 5.22 -0.12 -0.92 -0.45 117.98 120.56 3kic s PHE 343 Ca 0.04 -0.28 0.02 0.00 -0.05 0.00 0.00 56.93 56.66 3kic s PHE 343 Cb -0.09 0.70 0.01 0.00 -0.63 0.00 0.00 43.02 43.02 3kic s PHE 343 CO 0.02 -1.17 -0.11 -0.08 -0.05 0.00 0.00 175.22 173.82 3kic s THR 344 N -3.71 1.08 -1.20 -4.49 -1.32 -1.26 -0.70 115.64 104.02 3kic s THR 344 Ca 0.12 -0.44 -0.21 0.00 -1.21 0.00 0.00 61.69 59.95 3kic s THR 344 Cb -0.05 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 3kic s THR 344 CO 0.06 0.34 1.81 -0.62 -2.21 0.00 0.00 174.62 174.00 3kic s ASP 345 N 0.74 5.97 0.13 8.08 3.68 -0.35 -4.70 116.67 130.22 3kic s ASP 345 Ca -0.13 -1.93 0.24 0.00 2.13 0.00 0.00 52.55 52.85 3kic s ASP 345 Cb -0.15 -2.58 0.23 0.00 -1.45 0.00 0.00 42.92 38.96 3kic s ASP 345 CO 0.03 -2.08 1.22 0.28 0.13 0.00 0.00 175.17 174.75 3kic h SER 346 N 8.87 0.00 -0.24 -0.34 0.02 -1.96 -3.22 113.55 116.68 3kic h SER 346 Ca 0.31 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kic h SER 346 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3kic h SER 346 CO 1.35 0.09 0.00 -0.62 -1.14 0.00 0.00 176.83 176.51 3kic n GLU 347 N -2.23 2.44 -3.75 3.45 1.02 -1.26 -4.98 120.64 115.33 3kic n GLU 347 Ca 0.02 -2.14 -0.26 0.00 -0.02 0.00 0.00 57.16 54.76 3kic n GLU 347 Cb 0.46 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.41 3kic n GLU 347 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kic n TYR 348 N 1.44 -1.85 0.48 -0.32 4.02 -1.21 -4.88 117.16 114.84 3kic n TYR 348 Ca 0.17 0.66 0.11 0.00 -0.01 0.00 0.00 57.90 58.84 3kic n TYR 348 Cb 0.61 -3.82 -0.06 0.00 -0.02 0.00 0.00 39.34 36.05 3kic n TYR 348 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3kic n GLN 349 N -4.24 0.34 -3.83 -0.72 6.02 -1.26 -4.89 117.38 108.80 3kic n GLN 349 Ca -0.22 -0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.38 3kic n GLN 349 Cb 0.65 -1.57 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 3kic n GLN 349 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kic s LEU 350 N -3.96 4.38 -0.05 1.08 1.43 -1.26 -5.05 118.68 115.24 3kic s LEU 350 Ca 0.01 0.48 -0.36 0.00 -1.03 0.00 0.00 54.13 53.23 3kic s LEU 350 Cb 0.14 -2.50 -0.14 0.00 0.03 0.00 0.00 46.19 43.72 3kic s LEU 350 CO 0.84 0.30 1.70 -2.65 0.23 0.00 0.00 176.35 176.77 3kic n PRO 351 N 1.29 1.78 -2.45 1.29 -0.02 -1.26 -4.89 135.00 130.74 3kic n PRO 351 Ca -0.13 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3kic n PRO 351 Cb 0.53 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3kic n PRO 351 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3kic s TYR 352 N 2.71 2.44 -2.82 6.00 5.04 -1.26 -4.85 117.35 124.61 3kic s TYR 352 Ca 0.90 0.53 0.24 0.00 -2.44 0.00 0.00 57.07 56.29 3kic s TYR 352 Cb -0.82 -4.41 0.28 0.00 0.35 0.00 0.00 41.96 37.36 3kic s TYR 352 CO 0.51 -1.81 1.31 1.55 -1.34 0.00 0.00 175.55 175.78 3kic n VAL 353 N 6.86 0.18 -2.30 3.14 3.14 -1.26 -4.93 118.33 123.17 3kic n VAL 353 Ca 0.12 -0.59 -0.26 0.00 -2.96 0.00 0.00 64.34 60.65 3kic n VAL 353 Cb 0.49 1.31 0.13 0.00 -1.06 0.00 0.00 33.84 34.71 3kic n VAL 353 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3kic s LEU 354 N -1.82 2.87 -1.46 6.55 1.43 -1.26 -4.40 118.68 120.59 3kic s LEU 354 Ca 0.32 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3kic s LEU 354 Cb 0.21 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3kic s LEU 354 CO 0.31 -2.09 0.00 0.61 0.23 0.00 0.00 176.35 175.40 3kic n GLY 355 N -3.16 -0.02 0.13 -3.19 0.00 -1.26 -4.82 105.19 92.87 3kic n GLY 355 Ca 0.14 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3kic n GLY 355 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kic n SER 356 N -1.07 2.05 -1.83 1.61 7.64 -1.26 -4.93 113.62 115.81 3kic n SER 356 Ca -0.19 -2.96 -0.21 0.00 1.01 0.00 0.00 58.87 56.52 3kic n SER 356 Cb 0.63 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 3kic n SER 356 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kic n ALA 357 N -1.25 -0.40 -0.58 -0.43 0.00 -1.26 -4.97 120.51 111.62 3kic n ALA 357 Ca 0.14 0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 3kic n ALA 357 Cb 0.65 -2.11 0.26 0.00 0.00 0.00 0.00 19.45 18.25 3kic n ALA 357 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kic s HIS 358 N -2.86 0.60 0.43 0.00 4.02 -1.26 -5.04 115.29 111.18 3kic s HIS 358 Ca 0.00 0.86 0.07 0.00 1.02 0.00 0.00 55.06 57.01 3kic s HIS 358 Cb 0.00 -3.06 0.01 0.00 -1.02 0.00 0.00 32.58 28.51 3kic s HIS 358 CO 0.00 -4.25 0.59 -0.65 1.02 0.00 0.00 174.74 171.44 3kic s GLN 359 N -4.80 2.82 0.00 1.40 -0.21 -1.26 -4.72 119.66 112.89 3kic s GLN 359 Ca 0.68 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.90 3kic s GLN 359 Cb -0.19 -2.73 0.00 0.00 1.00 0.00 0.00 33.01 31.09 3kic s GLN 359 CO 0.61 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 3kic n GLY 360 N -1.89 1.08 3.12 3.09 0.00 -1.26 -4.86 105.19 104.46 3kic n GLY 360 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3kic n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kic s LEU 362 N 0.00 4.44 0.22 0.00 1.43 -1.13 -4.97 118.68 118.68 3kic s LEU 362 Ca 0.62 2.23 -0.32 0.00 -1.03 0.00 0.00 54.13 55.63 3kic s LEU 362 Cb -0.03 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.44 3kic s LEU 362 CO 0.45 -0.38 1.41 -2.65 0.23 0.00 0.00 176.35 175.41 3kic n PRO 363 N 2.59 1.95 -0.34 1.29 -0.02 -1.26 -4.61 135.00 134.60 3kic n PRO 363 Ca 0.05 0.70 0.12 0.00 -2.02 0.00 0.00 63.50 62.34 3kic n PRO 363 Cb 0.45 -2.36 0.32 0.00 -0.02 0.00 0.00 33.50 31.89 3kic n PRO 363 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kic h PRO 364 N 4.44 0.78 -5.52 0.52 0.11 -1.94 -3.39 132.00 127.01 3kic h PRO 364 Ca -0.45 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.02 3kic h PRO 364 Cb 1.28 -0.18 -0.10 0.00 0.11 0.00 0.00 31.00 32.11 3kic h PRO 364 CO 0.77 0.52 -0.14 0.12 -0.21 0.00 0.00 178.00 179.06 3kic s PHE 365 N -5.83 3.40 0.50 0.65 5.36 -1.26 -4.86 117.98 115.93 3kic s PHE 365 Ca -0.11 0.71 0.15 0.00 -0.96 0.00 0.00 56.93 56.72 3kic s PHE 365 Cb 0.24 -2.57 1.20 0.00 -0.34 0.00 0.00 43.02 41.54 3kic s PHE 365 CO 0.80 -0.00 2.12 -1.35 -1.46 0.00 0.00 175.22 175.33 3kic h PRO 366 N 7.26 0.11 0.00 10.12 0.11 -1.91 -1.98 132.00 145.71 3kic h PRO 366 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kic h PRO 366 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kic h PRO 366 CO 0.73 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 3kic h ALA 367 N 1.93 1.00 -2.41 -0.75 0.00 -1.93 -3.44 119.26 113.66 3kic h ALA 367 Ca 0.05 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.42 3kic h ALA 367 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kic h ALA 367 CO -0.01 0.00 0.52 -0.51 0.00 0.00 0.00 179.25 179.25 3kic s ASP 368 N -4.98 7.19 0.22 0.00 -0.00 -0.75 -5.01 116.67 113.34 3kic s ASP 368 Ca 0.06 1.82 -0.17 0.00 -0.00 0.00 0.00 52.55 54.25 3kic s ASP 368 Cb 0.09 -2.57 -0.08 0.00 -0.00 0.00 0.00 42.92 40.36 3kic s ASP 368 CO 0.52 -0.42 0.68 -0.69 -0.00 0.00 0.00 175.17 175.27 3kic s VAL 369 N 1.34 4.66 0.18 -1.27 1.01 -1.26 -4.54 120.40 120.52 3kic s VAL 369 Ca 0.55 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.70 3kic s VAL 369 Cb -0.25 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3kic s VAL 369 CO 0.26 0.15 -0.14 0.72 0.00 0.00 0.00 175.10 176.10 3kic s PHE 370 N -1.59 1.59 -0.06 5.22 -0.12 -0.97 -5.00 117.98 117.05 3kic s PHE 370 Ca 0.44 -0.60 -0.13 0.00 -0.05 0.00 0.00 56.93 56.59 3kic s PHE 370 Cb -0.15 -0.76 -0.05 0.00 -0.63 0.00 0.00 43.02 41.42 3kic s PHE 370 CO 0.20 0.28 0.32 1.41 -0.05 0.00 0.00 175.22 177.38 3kic s MET 371 N -3.48 3.85 -0.04 1.99 -2.45 -1.26 -2.05 119.30 115.86 3kic s MET 371 Ca 0.19 0.22 -0.30 0.00 -1.25 0.00 0.00 55.69 54.55 3kic s MET 371 Cb -0.01 -3.25 -0.02 0.00 1.25 0.00 0.00 34.83 32.80 3kic s MET 371 CO 0.05 0.64 1.01 0.08 1.05 0.00 0.00 175.02 177.84 3kic s VAL 372 N -0.79 4.78 0.75 10.11 1.01 -0.82 -4.86 120.40 130.58 3kic s VAL 372 Ca 0.20 2.01 -0.15 0.00 0.00 0.00 0.00 61.98 64.05 3kic s VAL 372 Cb -0.15 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.99 3kic s VAL 372 CO 0.09 0.10 1.21 -2.84 0.00 0.00 0.00 175.10 173.66 3kic s PRO 373 N 1.41 2.02 0.19 2.72 0.02 -1.26 -4.82 135.00 135.28 3kic s PRO 373 Ca 0.51 1.78 -0.08 0.00 0.02 0.00 0.00 61.00 63.23 3kic s PRO 373 Cb -0.21 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 3kic s PRO 373 CO 0.24 -1.93 0.48 -1.14 -0.33 0.00 0.00 177.00 174.32 3kic s GLN 374 N -3.95 3.74 -0.15 5.54 0.74 -1.26 -2.33 119.66 121.99 3kic s GLN 374 Ca 0.74 0.15 -0.17 0.00 0.05 0.00 0.00 55.36 56.13 3kic s GLN 374 Cb -0.30 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 3kic s GLN 374 CO 0.47 0.38 0.43 -0.47 -0.55 0.00 0.00 175.29 175.55 3kic s TYR 375 N -1.74 3.46 0.03 1.67 5.04 0.65 -4.88 117.35 121.58 3kic s TYR 375 Ca 0.44 0.77 -0.11 0.00 -2.44 0.00 0.00 57.07 55.74 3kic s TYR 375 Cb -0.12 -2.52 0.01 0.00 0.35 0.00 0.00 41.96 39.69 3kic s TYR 375 CO 0.22 0.12 0.22 0.20 -1.34 0.00 0.00 175.55 174.98 3kic s GLY 376 N 0.72 -0.02 0.09 8.97 0.00 -1.26 -2.24 107.32 113.58 3kic s GLY 376 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 3kic s GLY 376 CO 0.08 -0.29 0.05 -2.52 0.00 0.00 0.00 173.10 170.42 3kic s TYR 377 N -2.17 0.60 0.08 1.90 -0.85 -1.11 -4.95 117.35 110.85 3kic s TYR 377 Ca -0.08 -1.06 0.07 0.00 -0.52 0.00 0.00 57.07 55.47 3kic s TYR 377 Cb -0.03 -0.37 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 3kic s TYR 377 CO -0.02 -0.47 -0.10 -0.51 -1.52 0.00 0.00 175.55 172.93 3kic s LEU 378 N -2.97 3.01 0.00 -3.49 1.43 -1.26 -2.33 118.68 113.07 3kic s LEU 378 Ca 0.14 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3kic s LEU 378 Cb 0.07 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3kic s LEU 378 CO -0.05 0.20 0.00 0.41 0.23 0.00 0.00 176.35 177.14 3kic n THR 379 N 0.92 0.00 -3.26 5.49 -1.04 0.35 -4.96 114.28 111.77 3kic n THR 379 Ca -0.14 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.48 3kic n THR 379 Cb 0.52 -0.09 -0.06 0.00 -1.82 0.00 0.00 70.33 68.88 3kic n THR 379 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kic s LEU 380 N 0.00 4.53 -0.04 -4.42 2.96 -1.26 -4.73 118.68 115.71 3kic s LEU 380 Ca 0.00 1.28 -0.10 0.00 -0.22 0.00 0.00 54.13 55.09 3kic s LEU 380 Cb 0.00 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.79 3kic s LEU 380 CO 0.00 0.27 0.23 0.54 -1.32 0.00 0.00 176.35 176.07 3kic s ASN 381 N -1.12 -0.15 -0.67 3.68 2.20 -1.26 -3.95 114.94 113.66 3kic s ASN 381 Ca 0.29 0.18 -0.03 0.00 -0.94 0.00 0.00 52.86 52.36 3kic s ASN 381 Cb -0.20 0.37 0.17 0.00 -2.00 0.00 0.00 41.25 39.59 3kic s ASN 381 CO 0.19 -0.27 0.50 0.21 -2.94 0.00 0.00 177.10 174.80 3kic s ASN 382 N -0.71 5.37 1.24 3.54 3.84 -0.66 -4.94 114.94 122.63 3kic s ASN 382 Ca -0.08 -3.00 0.00 0.00 0.21 0.00 0.00 52.86 49.99 3kic s ASN 382 Cb -0.04 -1.87 0.00 0.00 -0.55 0.00 0.00 41.25 38.79 3kic s ASN 382 CO 0.02 -0.34 0.00 0.61 -2.79 0.00 0.00 177.10 174.60 3kic n GLY 383 N 3.29 1.11 0.05 1.21 0.00 -1.26 -2.68 105.19 106.92 3kic n GLY 383 Ca 0.10 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.69 3kic n GLY 383 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kic n SER 384 N 6.56 0.63 -4.83 1.61 3.41 -1.26 -3.52 113.62 116.22 3kic n SER 384 Ca 0.00 0.07 -0.26 0.00 -0.26 0.00 0.00 58.87 58.42 3kic n SER 384 Cb 0.00 0.13 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 3kic n SER 384 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kic s GLN 385 N -3.13 1.99 0.37 4.33 -0.21 -1.09 -4.62 119.66 117.30 3kic s GLN 385 Ca 0.08 -0.31 0.08 0.00 0.02 0.00 0.00 55.36 55.23 3kic s GLN 385 Cb 0.14 -2.14 -0.06 0.00 1.00 0.00 0.00 33.01 31.96 3kic s GLN 385 CO 0.71 -1.39 0.05 0.00 -2.12 0.00 0.00 175.29 172.54 3kic s ALA 386 N -3.32 3.29 0.57 6.09 0.00 -1.26 -1.65 121.76 125.48 3kic s ALA 386 Ca 0.62 -2.04 0.09 0.00 0.00 0.00 0.00 51.96 50.63 3kic s ALA 386 Cb -0.10 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.81 3kic s ALA 386 CO 0.46 -0.01 0.77 0.28 0.00 0.00 0.00 175.76 177.25 3kic n VAL 387 N -1.02 0.00 0.10 0.00 0.31 -1.25 -4.68 118.33 111.78 3kic n VAL 387 Ca -0.04 -1.92 -0.03 0.00 -0.01 0.00 0.00 64.34 62.35 3kic n VAL 387 Cb 0.63 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 3kic n VAL 387 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kic h GLY 388 N 0.12 0.00 -1.84 2.92 0.00 -2.01 -3.26 103.07 99.01 3kic h GLY 388 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3kic h GLY 388 CO 0.39 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.47 3kic n ARG 389 N -3.41 2.31 -2.89 4.80 1.74 -1.26 -4.90 116.66 113.05 3kic n ARG 389 Ca 0.00 -1.07 -0.36 0.00 -0.77 0.00 0.00 57.85 55.65 3kic n ARG 389 Cb 0.80 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.43 3kic n ARG 389 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3kic s SER 390 N -0.29 7.18 -0.16 0.55 0.01 -1.23 -4.86 113.70 114.89 3kic s SER 390 Ca 0.19 1.67 -0.03 0.00 1.31 0.00 0.00 55.95 59.08 3kic s SER 390 Cb 0.14 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3kic s SER 390 CO 0.06 -0.08 -0.04 -0.44 0.41 0.00 0.00 173.24 173.14 3kic s SER 391 N -1.74 4.74 -0.20 2.44 0.01 -1.26 -5.04 113.70 112.65 3kic s SER 391 Ca 0.50 -0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.55 3kic s SER 391 Cb -0.16 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 3kic s SER 391 CO 0.21 0.16 0.04 0.12 0.41 0.00 0.00 173.24 174.18 3kic s PHE 392 N 0.39 3.12 -0.20 2.43 5.36 -1.26 -4.91 117.98 122.91 3kic s PHE 392 Ca -0.04 -0.23 -0.02 0.00 -0.96 0.00 0.00 56.93 55.68 3kic s PHE 392 Cb -0.14 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.43 3kic s PHE 392 CO 0.03 -0.11 -0.11 0.71 -1.46 0.00 0.00 175.22 174.28 3kic s TYR 393 N 0.88 2.88 -0.23 10.12 1.51 -1.26 -5.09 117.35 126.15 3kic s TYR 393 Ca 0.02 -1.27 -0.11 0.00 -1.01 0.00 0.00 57.07 54.71 3kic s TYR 393 Cb -0.14 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.64 3kic s TYR 393 CO 0.02 -0.67 0.19 0.00 -1.11 0.00 0.00 175.55 173.99 3kic n LEU 395 N 4.29 0.26 0.05 0.00 4.32 -1.26 -2.62 117.00 122.03 3kic n LEU 395 Ca -0.14 0.22 0.13 0.00 -0.02 0.00 0.00 56.01 56.20 3kic n LEU 395 Cb 0.52 -0.33 0.49 0.00 -1.62 0.00 0.00 43.42 42.48 3kic n LEU 395 CO 0.36 0.06 0.89 -0.62 -1.22 0.00 0.00 177.39 176.86 3kic n GLU 396 N -1.33 0.14 -0.46 3.23 -0.58 -1.26 -3.03 120.64 117.34 3kic n GLU 396 Ca 0.09 0.11 0.04 0.00 -0.42 0.00 0.00 57.16 56.98 3kic n GLU 396 Cb 0.31 -1.66 0.22 0.00 -0.57 0.00 0.00 31.44 29.75 3kic n GLU 396 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3kic n TYR 397 N -1.89 1.08 -5.11 -0.32 -0.00 -1.08 -4.79 117.16 105.05 3kic n TYR 397 Ca 0.06 -0.38 -0.32 0.00 -0.00 0.00 0.00 57.90 57.26 3kic n TYR 397 Cb 0.39 -0.29 -0.15 0.00 -0.00 0.00 0.00 39.34 39.28 3kic n TYR 397 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 3kic s PHE 398 N -1.91 2.56 0.09 2.98 0.40 -1.17 -5.07 117.98 115.86 3kic s PHE 398 Ca 0.30 -0.60 -0.31 0.00 -0.60 0.00 0.00 56.93 55.72 3kic s PHE 398 Cb 0.22 -1.65 -0.10 0.00 0.51 0.00 0.00 43.02 42.00 3kic s PHE 398 CO 0.10 -0.14 1.84 -2.14 0.70 0.00 0.00 175.22 175.58 3kic s PRO 399 N -0.18 4.15 0.04 0.24 0.02 -1.26 -4.99 135.00 133.01 3kic s PRO 399 Ca -0.02 2.56 0.03 0.00 0.02 0.00 0.00 61.00 63.59 3kic s PRO 399 Cb -0.14 -3.73 -0.02 0.00 0.02 0.00 0.00 34.50 30.63 3kic s PRO 399 CO 0.03 -0.86 -0.09 -1.54 -0.33 0.00 0.00 177.00 174.22 3kic s SER 400 N 3.09 1.02 -0.08 2.53 1.04 -1.26 -4.84 113.70 115.20 3kic s SER 400 Ca 0.82 -0.45 -0.27 0.00 0.48 0.00 0.00 55.95 56.52 3kic s SER 400 Cb -0.44 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.64 3kic s SER 400 CO 0.37 -0.10 0.90 -1.58 0.98 0.00 0.00 173.24 173.81 3kic s GLN 401 N -1.24 4.44 -0.14 4.02 0.74 0.41 -4.83 119.66 123.05 3kic s GLN 401 Ca -0.05 1.21 -0.13 0.00 0.05 0.00 0.00 55.36 56.44 3kic s GLN 401 Cb -0.08 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 3kic s GLN 401 CO 0.01 -0.16 0.28 -1.64 -0.55 0.00 0.00 175.29 173.23 3kic s MET 402 N 1.48 4.14 -0.08 1.67 -1.94 -1.26 -1.28 119.30 122.03 3kic s MET 402 Ca 0.45 0.09 0.04 0.00 -1.71 0.00 0.00 55.69 54.56 3kic s MET 402 Cb -0.19 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.27 3kic s MET 402 CO 0.20 0.34 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.83 3kic s LEU 403 N 0.16 1.98 0.00 -0.03 1.02 0.66 -4.90 118.68 117.57 3kic s LEU 403 Ca 0.17 -0.48 0.05 0.00 0.02 0.00 0.00 54.13 53.89 3kic s LEU 403 Cb -0.13 -1.25 0.10 0.00 0.02 0.00 0.00 46.19 44.93 3kic s LEU 403 CO 0.04 0.14 0.74 -1.14 0.02 0.00 0.00 176.35 176.16 3kic n ARG 404 N 3.48 0.43 -2.12 1.70 3.00 -1.26 -1.28 116.66 120.60 3kic n ARG 404 Ca -0.20 -2.52 -0.42 0.00 -0.00 0.00 0.00 57.85 54.71 3kic n ARG 404 Cb 0.53 -0.33 -0.03 0.00 0.00 0.00 0.00 32.46 32.63 3kic n ARG 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3kic s THR 405 N -2.23 3.66 0.00 5.15 2.01 -1.26 -1.92 115.64 121.04 3kic s THR 405 Ca 0.53 0.92 0.00 0.00 0.31 0.00 0.00 61.69 63.45 3kic s THR 405 Cb -0.04 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3kic s THR 405 CO 0.34 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 3kic n GLY 406 N 3.89 1.21 3.90 4.40 0.00 -1.26 -4.40 105.19 112.94 3kic n GLY 406 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3kic n GLY 406 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kic s ASN 407 N -1.80 5.69 0.25 1.61 0.01 -0.81 -2.63 114.94 117.27 3kic s ASN 407 Ca 0.00 0.94 -0.11 0.00 -0.71 0.00 0.00 52.86 52.98 3kic s ASN 407 Cb 0.00 -1.91 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 3kic s ASN 407 CO 0.00 -1.07 0.44 0.54 -1.51 0.00 0.00 177.10 175.50 3kic s ASN 408 N -4.29 -0.01 -0.06 -1.22 4.22 -1.26 -4.55 114.94 107.79 3kic s ASN 408 Ca 0.55 -1.02 0.03 0.00 -2.14 0.00 0.00 52.86 50.28 3kic s ASN 408 Cb -0.11 0.57 0.01 0.00 1.28 0.00 0.00 41.25 43.00 3kic s ASN 408 CO 0.48 -1.12 -0.14 0.12 -2.04 0.00 0.00 177.10 174.40 3kic s PHE 409 N -3.96 1.53 0.12 1.54 5.36 -0.16 -4.83 117.98 117.59 3kic s PHE 409 Ca 0.25 -0.51 0.11 0.00 -0.96 0.00 0.00 56.93 55.81 3kic s PHE 409 Cb 0.00 -1.08 -0.04 0.00 -0.34 0.00 0.00 43.02 41.56 3kic s PHE 409 CO 0.10 -0.23 -0.27 -1.14 -1.46 0.00 0.00 175.22 172.23 3kic s GLN 410 N 0.39 1.41 -0.28 10.12 2.00 -1.26 -1.39 119.66 130.65 3kic s GLN 410 Ca -0.10 -1.32 -0.21 0.00 -2.00 0.00 0.00 55.36 51.73 3kic s GLN 410 Cb -0.14 -1.88 0.12 0.00 0.80 0.00 0.00 33.01 31.91 3kic s GLN 410 CO 0.03 0.45 0.95 0.12 -0.50 0.00 0.00 175.29 176.34 3kic s PHE 411 N -1.05 -0.60 0.01 1.67 2.19 -0.31 -4.98 117.98 114.91 3kic s PHE 411 Ca 0.13 1.32 0.03 0.00 0.33 0.00 0.00 56.93 58.75 3kic s PHE 411 Cb -0.10 0.38 -0.01 0.00 -1.31 0.00 0.00 43.02 41.98 3kic s PHE 411 CO 0.06 -0.29 -0.09 -1.12 1.83 0.00 0.00 175.22 175.60 3kic s SER 412 N 0.77 1.10 0.02 6.13 0.01 -1.26 0.90 113.70 121.36 3kic s SER 412 Ca -0.03 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3kic s SER 412 Cb -0.05 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 3kic s SER 412 CO -0.10 0.06 -0.02 -0.47 0.41 0.00 0.00 173.24 173.11 3kic s TYR 413 N -0.45 0.20 -0.16 2.43 5.04 0.23 -5.00 117.35 119.64 3kic s TYR 413 Ca 0.01 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.26 3kic s TYR 413 Cb -0.05 -0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.14 3kic s TYR 413 CO 0.00 -0.14 -0.14 0.99 -1.34 0.00 0.00 175.55 174.92 3kic s THR 414 N -1.07 1.68 0.80 4.34 2.01 -1.26 -0.58 115.64 121.57 3kic s THR 414 Ca -0.12 -0.77 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 3kic s THR 414 Cb -0.07 -1.60 0.08 0.00 0.01 0.00 0.00 72.50 70.92 3kic s THR 414 CO -0.01 0.42 1.13 -0.36 -0.69 0.00 0.00 174.62 175.11 3kic s PHE 415 N 1.43 2.15 0.74 4.92 0.40 -0.19 -5.01 117.98 122.42 3kic s PHE 415 Ca 0.04 1.65 -0.04 0.00 -0.60 0.00 0.00 56.93 57.98 3kic s PHE 415 Cb -0.14 -3.23 0.12 0.00 0.51 0.00 0.00 43.02 40.28 3kic s PHE 415 CO -0.11 -2.28 1.02 -1.83 0.70 0.00 0.00 175.22 172.73 3kic s GLU 416 N -4.57 1.67 -0.50 0.44 -1.05 -1.26 -4.95 118.70 108.49 3kic s GLU 416 Ca 0.66 -0.87 -0.28 0.00 -0.15 0.00 0.00 54.97 54.33 3kic s GLU 416 Cb -0.21 -2.26 -0.01 0.00 -0.44 0.00 0.00 34.13 31.21 3kic s GLU 416 CO 0.53 -1.49 1.68 -0.51 0.95 0.00 0.00 175.26 176.42 3kic s ASP 417 N -4.70 5.77 -0.07 0.83 1.11 -1.26 -4.96 116.67 113.40 3kic s ASP 417 Ca 0.66 0.63 0.02 0.00 0.18 0.00 0.00 52.55 54.04 3kic s ASP 417 Cb -0.06 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.41 3kic s ASP 417 CO 0.45 -1.92 -0.10 0.54 1.18 0.00 0.00 175.17 175.32 3kic s VAL 418 N 7.31 0.98 0.43 -1.27 0.11 -1.26 -5.12 120.40 121.58 3kic s VAL 418 Ca 0.66 -0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 59.11 3kic s VAL 418 Cb -0.15 -0.93 -0.12 0.00 -1.53 0.00 0.00 36.38 33.66 3kic s VAL 418 CO 0.27 0.33 0.64 -2.65 -3.33 0.00 0.00 175.10 170.35 3kic n PRO 419 N 4.00 0.71 -1.68 1.54 -0.02 -1.26 -4.90 135.00 133.40 3kic n PRO 419 Ca -0.22 0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 61.13 3kic n PRO 419 Cb 0.51 -1.62 0.04 0.00 -0.02 0.00 0.00 33.50 32.40 3kic n PRO 419 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kic n PHE 420 N -0.84 1.65 -1.52 6.00 3.01 -1.26 -4.90 117.46 119.61 3kic n PHE 420 Ca 0.11 0.46 -0.31 0.00 1.01 0.00 0.00 57.45 58.72 3kic n PHE 420 Cb 0.40 -2.28 0.06 0.00 -0.01 0.00 0.00 39.48 37.65 3kic n PHE 420 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3kic s HIS 421 N -1.34 2.87 -0.70 1.38 5.65 -0.38 -4.82 115.29 117.96 3kic s HIS 421 Ca 0.70 1.49 -0.25 0.00 0.25 0.00 0.00 55.06 57.25 3kic s HIS 421 Cb -0.45 -2.97 0.05 0.00 -1.18 0.00 0.00 32.58 28.03 3kic s HIS 421 CO 0.51 -1.46 1.12 -1.12 -0.65 0.00 0.00 174.74 173.14 3kic s SER 422 N -3.46 6.17 -0.41 9.88 0.01 -1.26 -3.83 113.70 120.79 3kic s SER 422 Ca 0.60 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 57.18 3kic s SER 422 Cb -0.16 -2.49 0.58 0.00 0.21 0.00 0.00 66.02 64.17 3kic s SER 422 CO 0.53 -1.63 1.83 -1.20 0.41 0.00 0.00 173.24 173.18 3kic n SER 423 N 8.51 3.92 -4.18 2.44 7.64 -0.98 -4.58 113.62 126.38 3kic n SER 423 Ca -0.00 -3.45 -0.11 0.00 1.01 0.00 0.00 58.87 56.32 3kic n SER 423 Cb 0.47 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 3kic n SER 423 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3kic s TYR 424 N -2.97 1.03 0.00 1.43 -0.85 -1.26 -3.91 117.35 110.82 3kic s TYR 424 Ca 0.51 -1.28 0.04 0.00 -0.52 0.00 0.00 57.07 55.82 3kic s TYR 424 Cb 0.43 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.21 3kic s TYR 424 CO 0.09 -0.54 -0.13 0.00 -1.52 0.00 0.00 175.55 173.45 3kic s ALA 425 N -4.06 1.06 0.21 9.51 0.00 0.31 -4.74 121.76 124.05 3kic s ALA 425 Ca 0.31 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3kic s ALA 425 Cb 0.07 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.86 3kic s ALA 425 CO 0.07 0.24 1.25 -1.01 0.00 0.00 0.00 175.76 176.32 3kic s HIS 426 N -0.43 3.32 -1.60 0.00 0.09 -1.25 -1.58 115.29 113.84 3kic s HIS 426 Ca 0.04 1.34 0.27 0.00 -0.00 0.00 0.00 55.06 56.71 3kic s HIS 426 Cb -0.06 -3.53 0.94 0.00 -0.00 0.00 0.00 32.58 29.94 3kic s HIS 426 CO -0.00 -1.55 1.68 -1.13 -0.00 0.00 0.00 174.74 173.75 3kic n SER 427 N 2.34 0.71 -4.79 1.40 3.41 -0.00 -4.86 113.62 111.82 3kic n SER 427 Ca 0.04 -0.64 -0.31 0.00 -0.26 0.00 0.00 58.87 57.70 3kic n SER 427 Cb 0.43 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3kic n SER 427 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kic s GLN 428 N -2.56 2.20 0.03 4.33 -0.21 -1.26 -5.04 119.66 117.16 3kic s GLN 428 Ca 0.24 -2.31 0.06 0.00 0.02 0.00 0.00 55.36 53.37 3kic s GLN 428 Cb 0.19 -1.66 -0.02 0.00 1.00 0.00 0.00 33.01 32.53 3kic s GLN 428 CO 0.52 -0.40 -0.17 0.45 -2.12 0.00 0.00 175.29 173.57 3kic s SER 429 N -3.96 2.03 0.47 5.90 0.15 -1.26 -4.85 113.70 112.18 3kic s SER 429 Ca 0.13 -0.46 0.30 0.00 0.70 0.00 0.00 55.95 56.62 3kic s SER 429 Cb 0.01 -0.16 1.38 0.00 -1.71 0.00 0.00 66.02 65.53 3kic s SER 429 CO 0.07 0.11 1.73 -0.07 1.20 0.00 0.00 173.24 176.29 3kic h LEU 430 N 5.03 0.22 0.00 3.45 3.38 -1.84 -0.04 115.31 125.51 3kic h LEU 430 Ca -0.40 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 3kic h LEU 430 Cb 1.17 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3kic h LEU 430 CO 0.45 -0.01 -1.66 -0.90 0.09 0.00 0.00 178.44 176.41 3kic n ASP 431 N -4.44 0.37 -3.64 -0.43 5.75 -1.26 -4.41 116.55 108.49 3kic n ASP 431 Ca 0.30 0.15 -0.39 0.00 -0.01 0.00 0.00 54.79 54.83 3kic n ASP 431 Cb 1.22 1.20 0.01 0.00 -1.03 0.00 0.00 41.12 42.51 3kic n ASP 431 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3kic n ARG 432 N -2.51 4.81 -0.03 0.11 5.12 -0.03 -4.68 116.66 119.46 3kic n ARG 432 Ca -0.06 -4.66 -0.01 0.00 -1.93 0.00 0.00 57.85 51.19 3kic n ARG 432 Cb 0.65 -2.44 -0.07 0.00 -1.16 0.00 0.00 32.46 29.44 3kic n ARG 432 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3kic n LEU 433 N 0.32 0.00 0.00 0.55 -0.00 -1.22 -4.00 117.00 112.65 3kic n LEU 433 Ca 0.39 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.34 3kic n LEU 433 Cb 0.30 0.13 0.04 0.00 -0.00 0.00 0.00 43.42 43.89 3kic n LEU 433 CO 0.55 0.13 0.16 1.15 -0.00 0.00 0.00 177.39 179.38 3kic n MET 434 N -2.12 0.05 -2.91 1.96 0.00 -1.26 -5.04 117.12 107.80 3kic n MET 434 Ca -0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 57.70 56.67 3kic n MET 434 Cb 0.57 -0.23 -0.04 0.00 0.00 0.00 0.00 33.22 33.51 3kic n MET 434 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3kic s ASN 435 N -1.99 6.79 0.43 3.17 3.84 -1.26 -4.94 114.94 120.98 3kic s ASN 435 Ca 0.16 0.95 0.30 0.00 0.21 0.00 0.00 52.86 54.48 3kic s ASN 435 Cb -0.01 -2.42 1.45 0.00 -0.55 0.00 0.00 41.25 39.72 3kic s ASN 435 CO 0.11 -0.52 1.90 -0.65 -2.79 0.00 0.00 177.10 175.14 3kic h PRO 436 N 7.77 0.00 0.00 0.43 0.11 -1.97 -3.22 132.00 135.11 3kic h PRO 436 Ca -0.23 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.58 3kic h PRO 436 Cb 1.09 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 3kic h PRO 436 CO 0.87 0.00 -2.28 1.28 -0.21 0.00 0.00 178.00 177.66 3kic n LEU 437 N -2.61 0.00 -4.68 2.35 4.32 -1.26 -4.65 117.00 110.47 3kic n LEU 437 Ca -0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 3kic n LEU 437 Cb 0.15 0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 42.27 3kic n LEU 437 CO 0.18 0.40 -0.34 -0.63 -1.22 0.00 0.00 177.39 175.79 3kic s ILE 438 N -2.64 3.98 0.29 -0.08 -1.09 -1.22 -4.95 121.20 115.49 3kic s ILE 438 Ca -0.09 -1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 57.24 3kic s ILE 438 Cb 0.07 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.99 3kic s ILE 438 CO 0.81 0.10 0.56 -1.81 -1.23 0.00 0.00 174.94 173.38 3kic s ASP 439 N -2.35 6.47 1.01 3.58 1.11 -1.26 -4.37 116.67 120.86 3kic s ASP 439 Ca 0.26 0.76 -0.15 0.00 0.18 0.00 0.00 52.55 53.60 3kic s ASP 439 Cb -0.12 -2.16 0.20 0.00 1.07 0.00 0.00 42.92 41.91 3kic s ASP 439 CO 0.18 -0.19 1.18 -1.10 1.18 0.00 0.00 175.17 176.42 3kic s GLN 440 N -3.47 0.28 0.00 8.23 -0.21 -0.81 -4.98 119.66 118.70 3kic s GLN 440 Ca 0.45 0.01 0.11 0.00 0.02 0.00 0.00 55.36 55.95 3kic s GLN 440 Cb -0.11 -1.76 0.24 0.00 1.00 0.00 0.00 33.01 32.37 3kic s GLN 440 CO 0.29 -2.73 1.12 2.48 -2.12 0.00 0.00 175.29 174.33 3kic n TYR 441 N -4.08 0.31 -3.77 0.91 4.11 -1.26 -4.59 117.16 108.80 3kic n TYR 441 Ca 0.11 -0.32 -0.27 0.00 -0.00 0.00 0.00 57.90 57.41 3kic n TYR 441 Cb 0.59 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.34 39.88 3kic n TYR 441 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3kic s LEU 442 N -0.98 4.26 0.06 -3.48 1.43 -1.26 -5.02 118.68 113.68 3kic s LEU 442 Ca 0.20 0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.73 3kic s LEU 442 Cb 0.11 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 3kic s LEU 442 CO 0.16 -0.01 -0.26 -0.31 0.23 0.00 0.00 176.35 176.15 3kic s TYR 443 N -1.83 2.33 0.21 0.29 2.02 -1.26 -2.60 117.35 116.51 3kic s TYR 443 Ca 0.37 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 3kic s TYR 443 Cb -0.11 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 3kic s TYR 443 CO 0.29 0.15 -0.12 1.52 -1.57 0.00 0.00 175.55 175.83 3kic s TYR 444 N -0.84 1.70 -0.30 2.71 -0.85 -0.47 -4.97 117.35 114.33 3kic s TYR 444 Ca 0.12 -0.64 -0.15 0.00 -0.52 0.00 0.00 57.07 55.88 3kic s TYR 444 Cb -0.10 -0.84 -0.03 0.00 0.38 0.00 0.00 41.96 41.37 3kic s TYR 444 CO 0.03 0.29 0.37 -1.17 -1.52 0.00 0.00 175.55 173.55 3kic s LEU 445 N -3.32 4.20 -0.00 -3.49 0.20 -1.26 -0.63 118.68 114.38 3kic s LEU 445 Ca 0.23 0.07 0.01 0.00 0.69 0.00 0.00 54.13 55.13 3kic s LEU 445 Cb 0.01 -2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 43.37 3kic s LEU 445 CO 0.07 -0.26 0.03 -0.46 -0.29 0.00 0.00 176.35 175.45 3kic n ASN 446 N 5.37 0.29 -3.94 3.68 2.04 -1.15 -4.97 115.26 116.58 3kic n ASN 446 Ca -0.09 -0.49 -0.27 0.00 -0.44 0.00 0.00 54.58 53.29 3kic n ASN 446 Cb 0.50 1.00 -0.17 0.00 -2.53 0.00 0.00 39.78 38.59 3kic n ASN 446 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 3kic s ARG 447 N -1.13 1.71 -0.23 -3.83 1.81 -1.20 -5.00 118.95 111.09 3kic s ARG 447 Ca 0.00 -0.34 0.08 0.00 -1.72 0.00 0.00 55.73 53.76 3kic s ARG 447 Cb 0.01 -1.68 -0.20 0.00 -0.45 0.00 0.00 34.95 32.63 3kic s ARG 447 CO 0.03 -0.23 -0.10 0.25 -0.68 0.00 0.00 175.30 174.58 3kic n THR 448 N 4.77 1.40 0.00 0.02 -2.24 -1.26 -2.17 114.28 114.81 3kic n THR 448 Ca -0.15 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3kic n THR 448 Cb 0.50 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 3kic n THR 448 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kic n GLN 449 N -3.02 0.00 -1.41 -0.78 10.64 -1.25 -2.00 117.38 119.56 3kic n GLN 449 Ca -0.39 0.00 -0.50 0.00 -1.83 0.00 0.00 57.00 54.28 3kic n GLN 449 Cb 1.04 -0.31 -0.09 0.00 -0.86 0.00 0.00 30.24 30.02 3kic n GLN 449 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kic n GLY 450 N 2.31 0.13 0.00 2.61 0.00 -1.26 -3.88 105.19 105.10 3kic n GLY 450 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.01 3kic n GLY 450 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kic n THR 451 N 7.14 0.00 -1.69 2.61 -1.04 -1.26 -4.94 114.28 115.11 3kic n THR 451 Ca 0.49 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 62.24 3kic n THR 451 Cb 0.15 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.58 3kic n THR 451 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kic n THR 452 N 0.00 1.05 -1.69 12.58 -1.04 -1.26 -4.83 114.28 119.09 3kic n THR 452 Ca 0.00 -1.06 -0.36 0.00 -2.04 0.00 0.00 64.05 60.59 3kic n THR 452 Cb 0.00 -2.11 -0.06 0.00 -1.82 0.00 0.00 70.33 66.35 3kic n THR 452 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3kic n SER 453 N 15.56 2.93 0.00 8.00 2.88 -1.26 -4.41 113.62 137.31 3kic n SER 453 Ca 0.44 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.28 3kic n SER 453 Cb 0.46 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 3kic n SER 453 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kic n GLY 454 N 5.21 0.45 3.67 0.46 0.00 -1.26 -5.07 105.19 108.64 3kic n GLY 454 Ca 0.47 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 3kic n GLY 454 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kic s THR 455 N 0.00 4.34 -1.13 2.61 2.01 -1.26 -4.67 115.64 117.54 3kic s THR 455 Ca 0.00 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 3kic s THR 455 Cb 0.00 -2.84 0.06 0.00 0.01 0.00 0.00 72.50 69.72 3kic s THR 455 CO 0.00 0.58 0.35 0.41 -0.69 0.00 0.00 174.62 175.27 3kic n THR 456 N 2.39 -0.78 -3.87 -0.82 -1.04 -1.26 -4.88 114.28 104.01 3kic n THR 456 Ca -0.18 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 3kic n THR 456 Cb 0.53 -1.57 -0.12 0.00 -1.82 0.00 0.00 70.33 67.35 3kic n THR 456 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3kic s ASN 457 N -2.53 4.54 -0.11 8.00 0.01 -1.26 -4.93 114.94 118.66 3kic s ASN 457 Ca 0.30 -3.68 -0.07 0.00 -0.71 0.00 0.00 52.86 48.70 3kic s ASN 457 Cb -0.16 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.89 3kic s ASN 457 CO 0.37 -0.11 0.12 0.06 -1.51 0.00 0.00 177.10 176.03 3kic h GLN 458 N 5.57 0.00 -3.38 -0.60 -0.00 -1.89 -3.45 115.11 111.35 3kic h GLN 458 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.72 3kic h GLN 458 Cb 0.78 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 28.14 3kic h GLN 458 CO 0.69 0.21 -0.06 -1.54 -0.00 0.00 0.00 178.83 178.12 3kic s SER 459 N -5.72 -0.24 -0.11 0.06 1.04 -1.26 -4.67 113.70 102.80 3kic s SER 459 Ca -0.06 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 3kic s SER 459 Cb -0.00 0.48 0.11 0.00 0.10 0.00 0.00 66.02 66.72 3kic s SER 459 CO 0.16 -0.87 0.94 -0.60 0.98 0.00 0.00 173.24 173.85 3kic s ARG 460 N -3.81 0.70 -0.45 4.02 3.52 -0.85 -4.95 118.95 117.13 3kic s ARG 460 Ca 0.03 0.05 -0.17 0.00 -0.13 0.00 0.00 55.73 55.51 3kic s ARG 460 Cb 0.02 0.33 0.04 0.00 -1.56 0.00 0.00 34.95 33.77 3kic s ARG 460 CO -0.11 -0.24 0.46 -0.51 -0.81 0.00 0.00 175.30 174.09 3kic s LEU 461 N -1.46 5.07 -0.03 -0.88 1.43 -1.26 -3.74 118.68 117.80 3kic s LEU 461 Ca -0.01 -0.89 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 3kic s LEU 461 Cb -0.01 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 3kic s LEU 461 CO -0.00 -0.66 -0.24 -0.76 0.23 0.00 0.00 176.35 174.92 3kic s LEU 462 N 2.12 2.04 -0.05 1.79 1.43 -0.92 -5.07 118.68 120.02 3kic s LEU 462 Ca 0.11 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3kic s LEU 462 Cb -0.19 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3kic s LEU 462 CO 0.11 0.26 -0.24 -0.36 0.23 0.00 0.00 176.35 176.35 3kic s PHE 463 N -0.36 2.35 -0.00 0.29 0.08 -1.26 -2.92 117.98 116.16 3kic s PHE 463 Ca 0.03 -0.66 0.05 0.00 0.12 0.00 0.00 56.93 56.48 3kic s PHE 463 Cb -0.11 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3kic s PHE 463 CO 0.01 -0.19 -0.16 -1.12 -0.10 0.00 0.00 175.22 173.66 3kic s SER 464 N -0.21 3.92 0.03 1.36 0.01 0.20 -4.93 113.70 114.08 3kic s SER 464 Ca -0.02 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 56.65 3kic s SER 464 Cb -0.13 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.33 3kic s SER 464 CO 0.03 0.30 0.90 -1.58 0.41 0.00 0.00 173.24 173.30 3kic s GLN 465 N -1.12 4.58 0.28 12.44 0.74 -1.26 -1.36 119.66 133.96 3kic s GLN 465 Ca 0.13 1.31 -0.30 0.00 0.05 0.00 0.00 55.36 56.56 3kic s GLN 465 Cb -0.11 -3.42 -0.13 0.00 1.10 0.00 0.00 33.01 30.46 3kic s GLN 465 CO 0.03 0.10 1.30 0.00 -0.55 0.00 0.00 175.29 176.18 3kic n ALA 466 N 3.35 0.95 -2.20 1.58 0.00 -1.07 -4.91 120.51 118.20 3kic n ALA 466 Ca 0.03 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 3kic n ALA 466 Cb 0.50 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 3kic n ALA 466 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kic s GLY 467 N -0.07 1.13 0.64 0.00 0.00 -1.26 -1.92 107.32 105.84 3kic s GLY 467 Ca 0.62 -1.54 0.36 0.00 0.00 0.00 0.00 44.72 44.16 3kic s GLY 467 CO 0.56 -1.46 2.19 -2.55 0.00 0.00 0.00 173.10 171.84 3kic h PRO 468 N 2.76 0.00 0.21 2.90 0.11 -1.83 -1.29 132.00 134.86 3kic h PRO 468 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3kic h PRO 468 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kic h PRO 468 CO 0.61 0.00 -0.10 1.96 -0.21 0.00 0.00 178.00 180.26 3kic h GLN 469 N 0.00 -0.27 -2.98 1.05 4.20 -1.94 -3.28 115.11 111.88 3kic h GLN 469 Ca 0.02 0.02 -0.56 0.00 0.06 0.00 0.00 58.65 58.19 3kic h GLN 469 Cb 0.29 0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.15 3kic h GLN 469 CO -0.00 0.10 3.19 -1.13 -0.67 0.00 0.00 178.83 180.32 3kic n SER 470 N -4.97 7.66 0.20 1.46 3.41 -0.49 -4.69 113.62 116.20 3kic n SER 470 Ca -0.08 -2.51 0.07 0.00 -0.26 0.00 0.00 58.87 56.10 3kic n SER 470 Cb 0.25 -1.45 0.42 0.00 -0.26 0.00 0.00 64.21 63.18 3kic n SER 470 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3kic h MET 471 N 5.05 0.00 -0.50 4.33 4.05 -1.63 -2.72 114.93 123.52 3kic h MET 471 Ca 0.73 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 60.02 3kic h MET 471 Cb 0.38 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.10 3kic h MET 471 CO 1.56 0.31 0.11 -1.13 0.23 0.00 0.00 176.91 177.99 3kic n SER 472 N -3.61 4.12 0.00 1.39 3.41 -1.26 -4.25 113.62 113.42 3kic n SER 472 Ca -0.01 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.35 3kic n SER 472 Cb 0.44 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3kic n SER 472 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kic n LEU 473 N -0.43 0.00 -4.72 1.04 4.77 -1.03 -5.08 117.00 111.55 3kic n LEU 473 Ca 0.33 -0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.77 3kic n LEU 473 Cb 1.15 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.32 3kic n LEU 473 CO 0.29 0.00 0.87 0.00 -1.33 0.00 0.00 177.39 177.23 3kic n GLN 474 N -0.97 1.02 -1.66 3.23 6.02 -1.16 -4.94 117.38 118.92 3kic n GLN 474 Ca 0.00 0.41 -0.40 0.00 -0.01 0.00 0.00 57.00 56.99 3kic n GLN 474 Cb 0.00 -2.51 0.02 0.00 1.02 0.00 0.00 30.24 28.77 3kic n GLN 474 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kic n ALA 475 N -2.03 0.81 -2.48 -1.58 0.00 -1.26 -5.01 120.51 108.97 3kic n ALA 475 Ca 0.16 0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.57 3kic n ALA 475 Cb 0.48 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 3kic n ALA 475 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kic s ARG 476 N -2.26 1.68 -0.02 0.00 6.06 -1.26 -5.06 118.95 118.08 3kic s ARG 476 Ca 0.64 -1.82 0.07 0.00 -2.50 0.00 0.00 55.73 52.12 3kic s ARG 476 Cb -0.51 -1.58 -0.10 0.00 0.06 0.00 0.00 34.95 32.82 3kic s ARG 476 CO 0.56 0.20 0.12 0.09 -2.50 0.00 0.00 175.30 173.76 3kic n ASN 477 N -0.66 3.42 -4.20 -2.12 3.02 -1.26 -5.08 115.26 108.38 3kic n ASN 477 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.38 3kic n ASN 477 Cb 0.62 1.14 -0.10 0.00 -0.61 0.00 0.00 39.78 40.83 3kic n ASN 477 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3kic s TRP 478 N -2.39 1.03 0.25 3.10 0.52 -1.26 -4.93 118.94 115.26 3kic s TRP 478 Ca -0.03 -0.93 0.10 0.00 0.02 0.00 0.00 56.10 55.26 3kic s TRP 478 Cb 0.04 -0.58 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 3kic s TRP 478 CO 0.28 -0.14 -0.04 -0.51 0.02 0.00 0.00 176.95 176.56 3kic s LEU 479 N -3.10 3.09 1.02 2.99 2.01 -0.77 -4.98 118.68 118.95 3kic s LEU 479 Ca 0.16 -0.68 -0.13 0.00 0.01 0.00 0.00 54.13 53.49 3kic s LEU 479 Cb 0.05 -1.64 0.20 0.00 0.01 0.00 0.00 46.19 44.82 3kic s LEU 479 CO -0.01 0.02 1.10 -2.84 1.01 0.00 0.00 176.35 175.63 3kic s PRO 480 N -3.53 0.24 1.15 1.29 0.02 -1.26 -1.67 135.00 131.24 3kic s PRO 480 Ca 0.30 0.40 -0.17 0.00 0.02 0.00 0.00 61.00 61.56 3kic s PRO 480 Cb -0.07 -1.72 0.26 0.00 0.02 0.00 0.00 34.50 32.99 3kic s PRO 480 CO 0.19 -2.83 1.09 0.20 -0.33 0.00 0.00 177.00 175.31 3kic s GLY 481 N -3.56 1.56 1.13 0.52 0.00 -0.70 -4.24 107.32 102.03 3kic s GLY 481 Ca 0.66 -0.73 -0.14 0.00 0.00 0.00 0.00 44.72 44.51 3kic s GLY 481 CO 0.57 0.07 1.05 2.56 0.00 0.00 0.00 173.10 177.35 3kic s PRO 482 N -5.21 -0.65 0.06 2.90 0.04 -1.26 -4.60 135.00 126.29 3kic s PRO 482 Ca 0.69 0.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.14 3kic s PRO 482 Cb -0.13 -1.61 0.03 0.00 0.04 0.00 0.00 34.50 32.83 3kic s PRO 482 CO 0.57 -3.48 0.39 0.00 0.04 0.00 0.00 177.00 174.52 3kic s TYR 484 N -2.79 -0.14 0.08 0.00 5.04 -1.26 -2.27 117.35 116.01 3kic s TYR 484 Ca -0.03 -1.05 -0.36 0.00 -2.44 0.00 0.00 57.07 53.18 3kic s TYR 484 Cb -0.00 -0.46 -0.18 0.00 0.35 0.00 0.00 41.96 41.68 3kic s TYR 484 CO -0.05 -0.96 1.12 -2.13 -1.34 0.00 0.00 175.55 172.18 3kic n ARG 485 N 3.97 0.60 -3.94 4.97 0.63 -1.05 -4.94 116.66 116.90 3kic n ARG 485 Ca 0.14 0.22 -0.21 0.00 -0.92 0.00 0.00 57.85 57.07 3kic n ARG 485 Cb 0.45 -1.71 -0.04 0.00 0.45 0.00 0.00 32.46 31.62 3kic n ARG 485 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3kic s GLN 486 N -0.05 2.86 0.36 -0.14 -1.52 0.61 -4.75 119.66 117.03 3kic s GLN 486 Ca 0.82 -1.15 -0.25 0.00 -1.95 0.00 0.00 55.36 52.84 3kic s GLN 486 Cb -1.05 -2.55 -0.10 0.00 -0.22 0.00 0.00 33.01 29.09 3kic s GLN 486 CO 0.53 0.25 0.96 -1.14 -0.25 0.00 0.00 175.29 175.64 3kic s GLN 487 N -3.93 4.45 -0.04 2.91 2.00 -1.26 -4.18 119.66 119.61 3kic s GLN 487 Ca 0.37 1.31 -0.20 0.00 -2.00 0.00 0.00 55.36 54.84 3kic s GLN 487 Cb -0.07 -2.63 -0.05 0.00 0.80 0.00 0.00 33.01 31.06 3kic s GLN 487 CO 0.26 0.15 0.57 0.50 -0.50 0.00 0.00 175.29 176.28 3kic s ARG 488 N -2.37 4.32 0.11 1.67 3.52 -1.26 0.86 118.95 125.80 3kic s ARG 488 Ca 0.54 0.68 0.09 0.00 -0.13 0.00 0.00 55.73 56.90 3kic s ARG 488 Cb -0.17 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 3kic s ARG 488 CO 0.22 0.30 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.28 3kic s LEU 489 N 0.06 2.31 0.08 -0.88 1.02 -0.65 -4.86 118.68 115.77 3kic s LEU 489 Ca 0.30 -0.71 0.06 0.00 0.02 0.00 0.00 54.13 53.81 3kic s LEU 489 Cb -0.17 -0.95 -0.04 0.00 0.02 0.00 0.00 46.19 45.05 3kic s LEU 489 CO 0.16 0.08 -0.10 -0.55 0.02 0.00 0.00 176.35 175.96 3kic s SER 490 N -1.98 4.40 0.37 2.29 0.15 -1.26 -1.13 113.70 116.54 3kic s SER 490 Ca 0.08 -0.34 0.20 0.00 0.70 0.00 0.00 55.95 56.59 3kic s SER 490 Cb -0.10 -0.87 0.54 0.00 -1.71 0.00 0.00 66.02 63.89 3kic s SER 490 CO 0.05 0.20 1.66 0.11 1.20 0.00 0.00 173.24 176.46 3kic h LYS 491 N 3.85 0.00 -6.59 5.44 1.57 -1.94 -3.41 116.57 115.49 3kic h LYS 491 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.73 3kic h LYS 491 Cb 1.17 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 3kic h LYS 491 CO 0.52 0.33 0.86 0.99 -0.57 0.00 0.00 179.45 181.58 3kic s THR 492 N -3.37 4.27 0.00 -0.16 2.01 -1.26 -4.91 115.64 112.22 3kic s THR 492 Ca 0.02 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.18 3kic s THR 492 Cb 0.09 -4.57 0.00 0.00 0.01 0.00 0.00 72.50 68.03 3kic s THR 492 CO 0.68 -0.96 0.84 0.00 -0.69 0.00 0.00 174.62 174.49 3kic n ALA 493 N 7.68 2.52 -0.72 7.40 0.00 -1.26 -2.17 120.51 133.97 3kic n ALA 493 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3kic n ALA 493 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3kic n ALA 493 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kic n ASN 494 N 1.57 0.00 0.17 0.00 6.94 -1.26 -4.77 115.26 117.91 3kic n ASN 494 Ca 0.00 -0.44 0.12 0.00 -0.02 0.00 0.00 54.58 54.24 3kic n ASN 494 Cb 0.23 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 37.82 3kic n ASN 494 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kic h ASP 495 N 0.00 0.00 -3.61 0.53 3.45 -1.81 -3.47 116.42 111.51 3kic h ASP 495 Ca 0.00 -0.01 -0.48 0.00 0.43 0.00 0.00 57.03 56.97 3kic h ASP 495 Cb 0.22 0.00 0.05 0.00 -0.56 0.00 0.00 39.33 39.04 3kic h ASP 495 CO 0.00 0.01 0.15 0.20 -1.57 0.00 0.00 179.24 178.02 3kic s ASN 496 N -5.72 5.90 0.33 6.45 0.01 -1.26 -5.02 114.94 115.62 3kic s ASN 496 Ca 0.06 0.81 -0.29 0.00 -0.71 0.00 0.00 52.86 52.73 3kic s ASN 496 Cb 0.07 -1.95 -0.10 0.00 0.41 0.00 0.00 41.25 39.68 3kic s ASN 496 CO 0.69 -0.85 1.35 0.21 -1.51 0.00 0.00 177.10 176.99 3kic s ASN 497 N -4.22 6.70 -0.75 -1.22 3.84 -1.26 -4.89 114.94 113.15 3kic s ASN 497 Ca 0.51 2.73 -0.07 0.00 0.21 0.00 0.00 52.86 56.24 3kic s ASN 497 Cb -0.10 -2.65 -0.15 0.00 -0.55 0.00 0.00 41.25 37.80 3kic s ASN 497 CO 0.45 -0.60 2.91 -3.20 -2.79 0.00 0.00 177.10 173.87 3kic n ASN 498 N 0.93 6.09 -4.19 -4.21 4.05 -1.26 -4.80 115.26 111.88 3kic n ASN 498 Ca 0.01 -2.42 -0.11 0.00 0.45 0.00 0.00 54.58 52.51 3kic n ASN 498 Cb 0.41 -1.31 -0.10 0.00 1.23 0.00 0.00 39.78 40.01 3kic n ASN 498 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3kic s SER 499 N 2.38 0.38 -0.72 1.20 1.04 -1.26 -5.12 113.70 111.60 3kic s SER 499 Ca 0.59 -1.28 -0.08 0.00 0.48 0.00 0.00 55.95 55.65 3kic s SER 499 Cb 0.21 0.30 0.19 0.00 0.10 0.00 0.00 66.02 66.82 3kic s SER 499 CO -0.03 -0.76 0.60 0.21 0.98 0.00 0.00 173.24 174.24 3kic s ASN 500 N -3.12 5.98 -0.20 7.02 2.47 -1.26 -4.93 114.94 120.90 3kic s ASN 500 Ca 0.30 -2.75 0.13 0.00 0.42 0.00 0.00 52.86 50.97 3kic s ASN 500 Cb 0.07 -2.03 0.41 0.00 -1.45 0.00 0.00 41.25 38.25 3kic s ASN 500 CO 0.06 -0.48 1.26 2.22 -3.72 0.00 0.00 177.10 176.45 3kic n PHE 501 N 3.76 0.28 1.10 0.43 1.16 -1.26 -4.70 117.46 118.23 3kic n PHE 501 Ca 0.10 -1.34 0.10 0.00 -1.87 0.00 0.00 57.45 54.44 3kic n PHE 501 Cb 0.42 -0.27 0.54 0.00 -1.61 0.00 0.00 39.48 38.56 3kic n PHE 501 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3kic n PRO 502 N -1.16 0.49 0.00 3.97 -0.02 -1.26 -2.65 135.00 134.37 3kic n PRO 502 Ca 0.21 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3kic n PRO 502 Cb 0.76 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3kic n PRO 502 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3kic n TRP 503 N -1.10 0.00 0.47 6.00 -0.00 -1.26 -4.52 117.44 117.03 3kic n TRP 503 Ca 0.13 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.75 3kic n TRP 503 Cb 0.10 0.06 0.35 0.00 -0.00 0.00 0.00 31.31 31.82 3kic n TRP 503 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 3kic h THR 504 N 0.00 0.00 0.00 5.87 1.35 -1.86 -3.29 112.91 114.98 3kic h THR 504 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3kic h THR 504 Cb 0.63 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3kic h THR 504 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3kic n ALA 505 N -1.90 1.90 -2.65 6.62 0.00 -1.08 -5.05 120.51 118.35 3kic n ALA 505 Ca 0.05 -0.68 -0.26 0.00 0.00 0.00 0.00 53.44 52.54 3kic n ALA 505 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 3kic n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kic s ALA 506 N -0.45 3.72 0.24 0.00 0.00 -1.24 -4.70 121.76 119.32 3kic s ALA 506 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 3kic s ALA 506 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 23.12 20.90 3kic s ALA 506 CO 0.00 0.21 1.10 -1.12 0.00 0.00 0.00 175.76 175.95 3kic s SER 507 N -3.49 7.26 0.31 0.00 0.01 -1.26 -4.95 113.70 111.57 3kic s SER 507 Ca 0.41 2.20 -0.15 0.00 1.31 0.00 0.00 55.95 59.71 3kic s SER 507 Cb -0.10 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.53 3kic s SER 507 CO 0.32 -0.18 0.65 -1.59 0.41 0.00 0.00 173.24 172.85 3kic s LYS 508 N -0.97 1.86 0.23 12.44 -2.85 -1.26 -2.63 119.74 126.55 3kic s LYS 508 Ca 0.47 -1.26 0.01 0.00 -1.00 0.00 0.00 55.97 54.18 3kic s LYS 508 Cb -0.31 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 3kic s LYS 508 CO 0.38 -0.83 0.09 1.52 0.10 0.00 0.00 175.35 176.61 3kic s TYR 509 N -3.42 1.38 -0.05 1.78 -0.85 -0.07 -4.81 117.35 111.32 3kic s TYR 509 Ca 0.17 -1.20 -0.02 0.00 -0.52 0.00 0.00 57.07 55.50 3kic s TYR 509 Cb -0.04 -0.78 0.04 0.00 0.38 0.00 0.00 41.96 41.56 3kic s TYR 509 CO 0.10 -0.39 0.09 -3.38 -1.52 0.00 0.00 175.55 170.45 3kic s HIS 510 N -3.84 -0.05 -0.19 -3.49 -3.43 -1.26 0.69 115.29 103.73 3kic s HIS 510 Ca 0.35 0.33 -0.02 0.00 -0.80 0.00 0.00 55.06 54.93 3kic s HIS 510 Cb 0.07 -0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 30.96 3kic s HIS 510 CO 0.11 -0.16 -0.10 -0.51 -2.00 0.00 0.00 174.74 172.08 3kic s LEU 511 N 1.56 2.71 -1.17 5.38 1.43 -0.91 -4.67 118.68 123.01 3kic s LEU 511 Ca -0.04 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 3kic s LEU 511 Cb -0.12 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.45 3kic s LEU 511 CO -0.04 0.04 1.02 -3.20 0.23 0.00 0.00 176.35 174.40 3kic n ASN 512 N 4.39 -5.27 -2.98 2.29 5.15 -1.26 -2.36 115.26 115.22 3kic n ASN 512 Ca -0.19 -0.49 -0.20 0.00 -0.60 0.00 0.00 54.58 53.10 3kic n ASN 512 Cb 0.51 -4.51 0.05 0.00 -0.53 0.00 0.00 39.78 35.31 3kic n ASN 512 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kic n GLY 513 N -1.72 -0.37 2.68 8.20 0.00 -1.26 -5.00 105.19 107.72 3kic n GLY 513 Ca -0.03 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3kic n GLY 513 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kic s ARG 514 N -5.90 0.41 0.07 1.61 3.52 -0.99 -4.98 118.95 112.69 3kic s ARG 514 Ca 0.41 -0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 55.39 3kic s ARG 514 Cb -0.18 -1.97 -0.07 0.00 -1.56 0.00 0.00 34.95 31.17 3kic s ARG 514 CO 0.51 -0.67 1.45 -0.51 -0.81 0.00 0.00 175.30 175.26 3kic s ASP 515 N 1.97 6.78 -0.03 -2.12 1.01 -1.26 -2.14 116.67 120.88 3kic s ASP 515 Ca 0.01 2.31 0.05 0.00 0.71 0.00 0.00 52.55 55.62 3kic s ASP 515 Cb -0.17 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.18 3kic s ASP 515 CO -0.10 -0.72 -0.18 -0.44 0.21 0.00 0.00 175.17 173.94 3kic s SER 516 N 1.57 2.17 -0.09 0.27 0.01 0.22 -4.88 113.70 112.97 3kic s SER 516 Ca 0.66 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 57.28 3kic s SER 516 Cb -0.36 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 3kic s SER 516 CO 0.29 0.19 1.25 -0.22 0.41 0.00 0.00 173.24 175.16 3kic s LEU 517 N -0.21 4.25 -1.15 2.44 2.96 -1.26 -0.89 118.68 124.82 3kic s LEU 517 Ca 0.02 1.80 -0.19 0.00 -0.22 0.00 0.00 54.13 55.54 3kic s LEU 517 Cb -0.09 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3kic s LEU 517 CO 0.01 -0.66 1.98 0.52 -1.32 0.00 0.00 176.35 176.88 3kic n VAL 518 N 4.90 2.73 0.00 1.68 0.31 -1.08 -4.84 118.33 122.03 3kic n VAL 518 Ca 0.12 -2.57 0.00 0.00 -0.01 0.00 0.00 64.34 61.89 3kic n VAL 518 Cb 0.45 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 3kic n VAL 518 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3kic n ASN 519 N 8.50 0.00 -4.54 4.52 5.15 -1.26 -4.20 115.26 123.43 3kic n ASN 519 Ca 0.49 0.41 -0.43 0.00 -0.60 0.00 0.00 54.58 54.46 3kic n ASN 519 Cb 0.42 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.61 3kic n ASN 519 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3kic s PRO 520 N -0.83 3.40 0.00 1.20 0.02 -1.26 -4.13 135.00 133.40 3kic s PRO 520 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 61.00 60.87 3kic s PRO 520 Cb 0.00 -3.93 0.00 0.00 0.02 0.00 0.00 34.50 30.59 3kic s PRO 520 CO 0.00 -1.07 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 3kic n GLY 521 N 4.97 0.01 3.36 0.52 0.00 -1.26 -4.80 105.19 108.00 3kic n GLY 521 Ca 0.01 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 3kic n GLY 521 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kic n PRO 522 N -0.30 0.09 -1.84 1.61 -0.02 -1.26 -4.77 135.00 128.51 3kic n PRO 522 Ca 0.00 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3kic n PRO 522 Cb 0.00 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3kic n PRO 522 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kic s ALA 523 N -2.04 2.68 0.05 3.55 0.00 -1.26 -4.95 121.76 119.79 3kic s ALA 523 Ca 0.59 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.95 3kic s ALA 523 Cb -0.31 -4.08 -0.02 0.00 0.00 0.00 0.00 23.12 18.71 3kic s ALA 523 CO 0.65 -2.91 -0.13 -1.64 0.00 0.00 0.00 175.76 171.72 3kic s MET 524 N 6.19 0.82 0.54 0.00 -1.94 -1.26 -4.73 119.30 118.90 3kic s MET 524 Ca 0.87 -0.81 -0.21 0.00 -1.71 0.00 0.00 55.69 53.84 3kic s MET 524 Cb -0.25 -0.79 -0.05 0.00 2.01 0.00 0.00 34.83 35.75 3kic s MET 524 CO 0.33 0.19 1.23 0.00 -0.01 0.00 0.00 175.02 176.75 3kic s ALA 525 N -1.04 2.76 0.07 3.03 0.00 -0.41 -4.58 121.76 121.59 3kic s ALA 525 Ca -0.01 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 3kic s ALA 525 Cb -0.09 -3.46 -0.26 0.00 0.00 0.00 0.00 23.12 19.32 3kic s ALA 525 CO 0.01 -1.05 1.14 0.77 0.00 0.00 0.00 175.76 176.64 3kic h SER 526 N 1.41 0.68 -5.09 0.00 0.02 -1.87 0.22 113.55 108.93 3kic h SER 526 Ca -0.50 -0.65 -0.06 0.00 -0.84 0.00 0.00 61.79 59.74 3kic h SER 526 Cb 1.28 -0.22 -0.13 0.00 0.14 0.00 0.00 62.40 63.47 3kic h SER 526 CO 0.57 1.48 -0.13 -1.38 -1.14 0.00 0.00 176.83 176.23 3kic s HIS 527 N -2.90 -0.13 0.78 3.45 -3.43 -1.26 -4.20 115.29 107.60 3kic s HIS 527 Ca -0.07 -0.20 -0.05 0.00 -0.80 0.00 0.00 55.06 53.94 3kic s HIS 527 Cb 0.06 0.19 0.15 0.00 -1.43 0.00 0.00 32.58 31.55 3kic s HIS 527 CO 0.91 -0.67 1.08 -1.59 -2.00 0.00 0.00 174.74 172.47 3kic s LYS 528 N -3.78 1.41 0.58 -0.38 -2.85 -1.26 -4.96 119.74 108.51 3kic s LYS 528 Ca 0.03 -0.92 -0.20 0.00 -1.00 0.00 0.00 55.97 53.88 3kic s LYS 528 Cb 0.02 -2.20 -0.04 0.00 -2.06 0.00 0.00 37.83 33.55 3kic s LYS 528 CO -0.12 -1.70 1.22 -0.25 0.10 0.00 0.00 175.35 174.60 3kic n ASP 529 N -3.08 1.94 -3.50 0.03 8.00 -1.26 -3.54 116.55 115.14 3kic n ASP 529 Ca 0.15 0.90 -0.19 0.00 0.71 0.00 0.00 54.79 56.36 3kic n ASP 529 Cb 0.60 -1.51 0.08 0.00 -0.02 0.00 0.00 41.12 40.27 3kic n ASP 529 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kic n ASP 530 N -1.07 -2.26 0.00 -2.24 8.00 -1.26 -4.90 116.55 112.82 3kic n ASP 530 Ca 0.13 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3kic n ASP 530 Cb 0.46 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 3kic n ASP 530 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kic n GLU 531 N -4.23 0.00 -0.85 -1.24 1.02 -1.23 -5.03 120.64 109.08 3kic n GLU 531 Ca -0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 3kic n GLU 531 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 3kic n GLU 531 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3kic n GLU 532 N -0.38 -0.40 -0.01 3.49 4.07 -1.26 -4.73 120.64 121.42 3kic n GLU 532 Ca 0.00 0.10 0.03 0.00 -0.06 0.00 0.00 57.16 57.23 3kic n GLU 532 Cb 0.00 -3.69 -0.08 0.00 -0.06 0.00 0.00 31.44 27.61 3kic n GLU 532 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3kic n LYS 533 N -1.61 0.73 -3.22 5.31 2.85 -1.26 -4.94 118.16 116.02 3kic n LYS 533 Ca 0.00 -0.08 -0.41 0.00 -1.05 0.00 0.00 58.31 56.78 3kic n LYS 533 Cb 0.10 -1.25 -0.08 0.00 -0.65 0.00 0.00 35.03 33.15 3kic n LYS 533 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kic s PHE 534 N -2.64 3.23 0.03 5.58 0.40 -1.26 -2.91 117.98 120.41 3kic s PHE 534 Ca -0.04 0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.82 3kic s PHE 534 Cb 0.06 -2.83 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 3kic s PHE 534 CO 0.44 -0.40 -0.17 -0.59 0.70 0.00 0.00 175.22 175.19 3kic s PHE 535 N 2.38 2.58 0.35 0.36 -0.12 -0.28 -4.35 117.98 118.90 3kic s PHE 535 Ca 0.21 -0.24 -0.28 0.00 -0.05 0.00 0.00 56.93 56.56 3kic s PHE 535 Cb -0.15 -1.49 -0.11 0.00 -0.63 0.00 0.00 43.02 40.64 3kic s PHE 535 CO 0.11 0.24 1.44 -2.14 -0.05 0.00 0.00 175.22 174.82 3kic s PRO 536 N -1.33 4.19 -0.73 1.99 0.02 -1.26 -1.63 135.00 136.24 3kic s PRO 536 Ca 0.14 2.46 -0.28 0.00 0.02 0.00 0.00 61.00 63.34 3kic s PRO 536 Cb -0.11 -3.01 -0.14 0.00 0.02 0.00 0.00 34.50 31.27 3kic s PRO 536 CO 0.05 -0.44 2.55 -0.12 -0.33 0.00 0.00 177.00 178.71 3kic n MET 537 N 0.72 0.55 -1.63 5.54 0.00 0.25 -1.44 117.12 121.10 3kic n MET 537 Ca 0.01 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 57.60 3kic n MET 537 Cb 0.40 -2.52 -0.04 0.00 0.00 0.00 0.00 33.22 31.06 3kic n MET 537 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 175.97 173.58 3kic n HIS 538 N 13.36 -0.74 1.21 1.12 1.44 -1.26 -4.69 115.22 125.66 3kic n HIS 538 Ca 0.51 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.22 3kic n HIS 538 Cb 0.30 -2.41 0.00 0.00 0.12 0.00 0.00 29.99 28.00 3kic n HIS 538 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kic n GLY 539 N -0.37 0.95 3.72 -1.39 0.00 -0.52 -4.07 105.19 103.51 3kic n GLY 539 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3kic n GLY 539 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kic s ASN 540 N -0.22 -0.31 0.25 1.61 4.22 -1.26 -4.72 114.94 114.51 3kic s ASN 540 Ca 0.00 -0.38 -0.24 0.00 -2.14 0.00 0.00 52.86 50.09 3kic s ASN 540 Cb 0.00 0.61 -0.09 0.00 1.28 0.00 0.00 41.25 43.05 3kic s ASN 540 CO 0.00 -1.09 0.84 -0.76 -2.04 0.00 0.00 177.10 174.04 3kic s LEU 541 N -2.85 4.43 -0.07 3.54 1.02 -1.26 -4.88 118.68 118.61 3kic s LEU 541 Ca 0.09 1.67 0.01 0.00 0.02 0.00 0.00 54.13 55.93 3kic s LEU 541 Cb -0.03 -3.67 0.02 0.00 0.02 0.00 0.00 46.19 42.52 3kic s LEU 541 CO 0.00 0.05 -0.09 -0.63 0.02 0.00 0.00 176.35 175.71 3kic s ILE 542 N -1.43 0.95 -0.09 -0.59 1.01 -1.26 -2.96 121.20 116.84 3kic s ILE 542 Ca 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 3kic s ILE 542 Cb -0.20 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3kic s ILE 542 CO 0.24 0.32 -0.02 -0.36 0.00 0.00 0.00 174.94 175.13 3kic s PHE 543 N 0.93 3.10 -0.06 3.97 0.40 -0.15 -4.92 117.98 121.25 3kic s PHE 543 Ca -0.10 0.13 -0.20 0.00 -0.60 0.00 0.00 56.93 56.16 3kic s PHE 543 Cb -0.15 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 3kic s PHE 543 CO 0.01 0.41 0.58 0.20 0.70 0.00 0.00 175.22 177.11 3kic s GLY 544 N -0.79 2.54 1.07 4.36 0.00 -1.26 0.74 107.32 113.97 3kic s GLY 544 Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.69 3kic s GLY 544 CO 0.02 0.85 0.93 0.28 0.00 0.00 0.00 173.10 175.18 3kic n LYS 545 N 3.29 -1.55 -2.00 2.90 5.02 -0.76 -4.88 118.16 120.18 3kic n LYS 545 Ca -0.06 -0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 55.40 3kic n LYS 545 Cb 0.51 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 3kic n LYS 545 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3kic s GLU 546 N -4.34 4.20 -0.13 1.97 2.56 -1.26 -4.02 118.70 117.68 3kic s GLU 546 Ca 0.66 2.22 -0.02 0.00 0.00 0.00 0.00 54.97 57.84 3kic s GLU 546 Cb -0.23 -3.80 0.00 0.00 2.00 0.00 0.00 34.13 32.10 3kic s GLU 546 CO 0.63 -0.78 0.07 0.41 -0.56 0.00 0.00 175.26 175.04 3kic n GLY 547 N 4.03 -2.59 3.60 -1.50 0.00 -1.26 -5.10 105.19 102.37 3kic n GLY 547 Ca 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 3kic n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kic s THR 548 N -0.93 -0.70 0.32 2.61 2.01 -1.26 -5.13 115.64 112.57 3kic s THR 548 Ca 0.03 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.77 3kic s THR 548 Cb -0.01 -1.00 -0.14 0.00 0.01 0.00 0.00 72.50 71.36 3kic s THR 548 CO 0.29 0.00 0.69 0.41 -0.69 0.00 0.00 174.62 175.32 3kic n THR 549 N 5.09 1.87 0.82 -0.82 -1.04 -1.26 -4.83 114.28 114.11 3kic n THR 549 Ca -0.13 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.49 3kic n THR 549 Cb 0.52 -0.55 0.50 0.00 -1.82 0.00 0.00 70.33 68.98 3kic n THR 549 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kic n ALA 550 N -0.27 2.06 -3.90 2.41 0.00 -1.26 -4.43 120.51 115.11 3kic n ALA 550 Ca 0.12 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3kic n ALA 550 Cb 0.33 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 3kic n ALA 550 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kic s SER 551 N -2.95 3.76 -0.33 0.00 0.15 -1.26 -4.89 113.70 108.19 3kic s SER 551 Ca 0.12 -0.73 -0.29 0.00 0.70 0.00 0.00 55.95 55.75 3kic s SER 551 Cb 0.15 -1.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.92 3kic s SER 551 CO 0.41 -0.05 0.49 0.59 1.20 0.00 0.00 173.24 175.87 3kic n ASN 552 N 4.65 -5.38 -4.83 5.45 5.03 -1.26 -4.98 115.26 113.94 3kic n ASN 552 Ca -0.19 -0.04 -0.29 0.00 0.87 0.00 0.00 54.58 54.93 3kic n ASN 552 Cb 0.49 -1.49 -0.05 0.00 -1.02 0.00 0.00 39.78 37.70 3kic n ASN 552 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kic s ALA 553 N -1.27 3.70 0.74 5.41 0.00 -1.26 -4.97 121.76 124.10 3kic s ALA 553 Ca 0.29 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 3kic s ALA 553 Cb -0.03 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.61 3kic s ALA 553 CO 0.64 0.67 1.11 -2.00 0.00 0.00 0.00 175.76 176.18 3kic s GLU 554 N -2.72 2.32 0.57 0.00 2.56 -1.26 -4.90 118.70 115.28 3kic s GLU 554 Ca 0.31 1.32 0.29 0.00 0.00 0.00 0.00 54.97 56.90 3kic s GLU 554 Cb -0.12 -1.90 1.72 0.00 2.00 0.00 0.00 34.13 35.83 3kic s GLU 554 CO 0.24 -1.61 2.20 1.25 -0.56 0.00 0.00 175.26 176.78 3kic h LEU 555 N -0.73 0.00 -0.17 2.70 5.85 -1.99 0.34 115.31 121.31 3kic h LEU 555 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3kic h LEU 555 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3kic h LEU 555 CO 0.51 0.04 0.00 0.47 -0.34 0.00 0.00 178.44 179.12 3kic n ASP 556 N -3.75 0.27 -0.34 1.25 8.00 -1.26 -3.34 116.55 117.38 3kic n ASP 556 Ca -0.03 -1.22 0.06 0.00 0.71 0.00 0.00 54.79 54.32 3kic n ASP 556 Cb 0.13 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 3kic n ASP 556 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kic n ASN 557 N -0.73 1.53 -4.50 -2.24 3.02 0.11 -5.01 115.26 107.44 3kic n ASN 557 Ca 0.20 -1.27 -0.24 0.00 -0.03 0.00 0.00 54.58 53.25 3kic n ASN 557 Cb 0.14 0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 39.56 3kic n ASN 557 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kic s VAL 558 N -1.45 1.94 -0.23 2.41 -7.23 -1.21 -1.82 120.40 112.81 3kic s VAL 558 Ca 0.11 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3kic s VAL 558 Cb 0.10 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.51 3kic s VAL 558 CO 0.28 -0.23 -0.12 -0.04 -0.31 0.00 0.00 175.10 174.68 3kic s MET 559 N -3.67 2.24 -0.02 4.82 -1.94 0.23 -4.86 119.30 116.09 3kic s MET 559 Ca 0.31 -1.09 -0.11 0.00 -1.71 0.00 0.00 55.69 53.10 3kic s MET 559 Cb 0.04 -2.68 -0.05 0.00 2.01 0.00 0.00 34.83 34.15 3kic s MET 559 CO 0.15 -0.47 0.32 0.42 -0.01 0.00 0.00 175.02 175.42 3kic s ILE 560 N 1.24 5.20 -0.19 2.53 1.01 -1.26 -0.98 121.20 128.76 3kic s ILE 560 Ca -0.04 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.01 3kic s ILE 560 Cb -0.18 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 3kic s ILE 560 CO -0.07 0.51 0.19 0.42 0.00 0.00 0.00 174.94 175.99 3kic s THR 561 N -1.15 5.37 -0.25 2.92 -4.23 -1.15 -4.98 115.64 112.17 3kic s THR 561 Ca 0.23 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.93 3kic s THR 561 Cb -0.15 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 3kic s THR 561 CO 0.12 0.42 0.31 -0.62 -0.54 0.00 0.00 174.62 174.31 3kic s ASP 562 N 0.44 6.23 -1.00 3.99 2.15 -1.26 -4.77 116.67 122.44 3kic s ASP 562 Ca 0.11 0.26 -0.02 0.00 0.43 0.00 0.00 52.55 53.32 3kic s ASP 562 Cb -0.12 -2.18 0.30 0.00 -0.30 0.00 0.00 42.92 40.62 3kic s ASP 562 CO 0.00 -0.10 1.37 -0.62 -0.17 0.00 0.00 175.17 175.66 3kic n GLU 563 N 4.93 4.18 -0.33 4.34 -0.58 -1.26 -4.79 120.64 127.13 3kic n GLU 563 Ca -0.10 -4.58 0.07 0.00 -0.42 0.00 0.00 57.16 52.13 3kic n GLU 563 Cb 0.51 -2.47 0.22 0.00 -0.57 0.00 0.00 31.44 29.14 3kic n GLU 563 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3kic n GLU 564 N 1.20 3.02 0.03 3.49 0.28 -1.26 -2.83 120.64 124.57 3kic n GLU 564 Ca 0.27 -2.45 0.08 0.00 -0.16 0.00 0.00 57.16 54.90 3kic n GLU 564 Cb 0.34 -1.56 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 3kic n GLU 564 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kic n GLU 565 N 0.30 0.64 -0.65 3.44 4.71 -1.26 -4.14 120.64 123.68 3kic n GLU 565 Ca 0.17 -0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.38 3kic n GLU 565 Cb 0.65 -1.68 0.32 0.00 -1.01 0.00 0.00 31.44 29.72 3kic n GLU 565 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 3kic n ILE 566 N -2.55 1.96 0.27 -3.67 -5.35 -1.26 -4.36 119.36 104.40 3kic n ILE 566 Ca -0.06 -1.06 0.16 0.00 -0.27 0.00 0.00 62.75 61.52 3kic n ILE 566 Cb 0.65 -0.18 0.85 0.00 -1.74 0.00 0.00 39.64 39.22 3kic n ILE 566 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3kic h ARG 567 N 3.28 0.00 0.00 6.28 3.08 -1.83 -1.71 114.38 123.48 3kic h ARG 567 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kic h ARG 567 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 3kic h ARG 567 CO 0.32 0.00 -1.04 0.25 -1.07 0.00 0.00 179.97 178.43 3kic n THR 568 N -2.68 0.21 0.00 2.04 -2.24 -1.26 -4.35 114.28 106.00 3kic n THR 568 Ca -0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3kic n THR 568 Cb 0.16 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3kic n THR 568 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kic n THR 569 N -2.04 0.00 -4.46 4.28 -2.24 -1.02 -2.27 114.28 106.53 3kic n THR 569 Ca 0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 3kic n THR 569 Cb 0.45 -0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 68.05 3kic n THR 569 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3kic s ASN 570 N -2.68 3.86 0.79 3.42 -0.87 -0.68 -1.72 114.94 117.07 3kic s ASN 570 Ca 0.00 -0.50 -0.12 0.00 -1.57 0.00 0.00 52.86 50.68 3kic s ASN 570 Cb 0.00 -0.58 0.07 0.00 -0.02 0.00 0.00 41.25 40.72 3kic s ASN 570 CO 0.00 0.21 1.12 -2.84 -2.57 0.00 0.00 177.10 173.03 3kic s PRO 571 N -1.83 1.98 0.23 -0.60 0.02 -1.26 -4.52 135.00 129.02 3kic s PRO 571 Ca 0.16 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 3kic s PRO 571 Cb -0.11 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 3kic s PRO 571 CO 0.08 -1.88 0.99 0.08 -0.33 0.00 0.00 177.00 175.94 3kic s VAL 572 N -2.64 3.96 0.20 3.83 1.01 -1.26 -1.29 120.40 124.21 3kic s VAL 572 Ca 0.65 1.93 -0.10 0.00 0.00 0.00 0.00 61.98 64.46 3kic s VAL 572 Cb -0.21 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.08 3kic s VAL 572 CO 0.53 0.44 1.82 0.00 0.00 0.00 0.00 175.10 177.89 3kic h ALA 573 N 4.26 0.92 0.00 5.51 0.00 -0.80 -3.13 119.26 126.02 3kic h ALA 573 Ca -0.45 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 3kic h ALA 573 Cb 1.20 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3kic h ALA 573 CO 0.68 0.43 -1.32 1.79 0.00 0.00 0.00 179.25 180.84 3kic h THR 574 N 0.99 1.30 -4.29 0.00 1.35 -1.80 0.17 112.91 110.64 3kic h THR 574 Ca 0.25 -3.06 -0.46 0.00 -0.55 0.00 0.00 66.41 62.59 3kic h THR 574 Cb 0.03 2.64 0.13 0.00 -1.73 0.00 0.00 68.15 69.22 3kic h THR 574 CO -0.04 0.74 0.34 -1.61 -0.25 0.00 0.00 175.52 174.70 3kic s GLU 575 N -2.67 1.19 0.58 4.72 0.41 -1.19 -4.72 118.70 117.03 3kic s GLU 575 Ca -0.02 0.10 -0.10 0.00 -0.41 0.00 0.00 54.97 54.55 3kic s GLU 575 Cb 0.09 -1.86 0.15 0.00 -1.78 0.00 0.00 34.13 30.73 3kic s GLU 575 CO 0.82 -2.13 0.44 0.00 -0.49 0.00 0.00 175.26 173.91 3kic n GLN 576 N -3.68 -2.47 -0.08 1.61 10.64 -1.26 -4.83 117.38 117.31 3kic n GLN 576 Ca 0.09 -0.72 -0.13 0.00 -1.83 0.00 0.00 57.00 54.41 3kic n GLN 576 Cb 0.60 -0.76 -0.04 0.00 -0.86 0.00 0.00 30.24 29.17 3kic n GLN 576 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 3kic n TYR 577 N -3.82 0.00 -1.54 2.61 9.36 -0.50 -4.66 117.16 118.62 3kic n TYR 577 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3kic n TYR 577 Cb 0.26 -0.54 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 3kic n TYR 577 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kic n GLY 578 N 1.80 2.18 2.91 2.98 0.00 -1.24 -5.03 105.19 108.79 3kic n GLY 578 Ca -0.23 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 3kic n GLY 578 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kic s THR 579 N -1.07 0.64 0.02 2.61 2.01 -1.26 -2.54 115.64 116.03 3kic s THR 579 Ca 0.00 -0.17 0.09 0.00 0.31 0.00 0.00 61.69 61.92 3kic s THR 579 Cb 0.00 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 3kic s THR 579 CO 0.00 0.25 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.23 3kic s VAL 580 N 0.97 2.11 0.41 3.82 1.01 -0.67 -4.98 120.40 123.08 3kic s VAL 580 Ca -0.10 -1.26 -0.16 0.00 0.00 0.00 0.00 61.98 60.46 3kic s VAL 580 Cb -0.14 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 3kic s VAL 580 CO 0.00 0.46 0.85 0.00 0.00 0.00 0.00 175.10 176.42 3kic s ALA 581 N -0.72 3.20 -0.36 5.51 0.00 -1.26 -1.29 121.76 126.84 3kic s ALA 581 Ca 0.11 0.10 0.14 0.00 0.00 0.00 0.00 51.96 52.31 3kic s ALA 581 Cb -0.10 -2.93 0.43 0.00 0.00 0.00 0.00 23.12 20.52 3kic s ALA 581 CO 0.01 0.07 1.21 0.27 0.00 0.00 0.00 175.76 177.32 3kic n ASN 582 N -0.94 -0.42 -3.70 0.00 6.94 -1.22 -4.92 115.26 111.00 3kic n ASN 582 Ca 0.05 -2.49 -0.01 0.00 -0.02 0.00 0.00 54.58 52.10 3kic n ASN 582 Cb 0.54 0.33 -0.01 0.00 -2.36 0.00 0.00 39.78 38.27 3kic n ASN 582 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kic s ASN 583 N -2.07 -0.13 -0.82 0.53 4.22 -1.26 -4.91 114.94 110.51 3kic s ASN 583 Ca 0.23 -0.31 -0.04 0.00 -2.14 0.00 0.00 52.86 50.60 3kic s ASN 583 Cb 0.42 0.36 0.21 0.00 1.28 0.00 0.00 41.25 43.52 3kic s ASN 583 CO -0.04 -0.67 0.70 -0.76 -2.04 0.00 0.00 177.10 174.28 3kic s LEU 584 N -2.97 5.63 0.46 3.54 1.43 -1.26 -4.90 118.68 120.60 3kic s LEU 584 Ca 0.13 -3.35 -0.24 0.00 -1.03 0.00 0.00 54.13 49.64 3kic s LEU 584 Cb 0.01 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 3kic s LEU 584 CO 0.00 -0.28 1.33 0.00 0.23 0.00 0.00 176.35 177.62 3kic n GLN 585 N 2.87 1.95 -1.32 1.70 -0.00 -1.26 -4.81 117.38 116.51 3kic n GLN 585 Ca 0.17 0.70 -0.01 0.00 -0.00 0.00 0.00 57.00 57.86 3kic n GLN 585 Cb 0.38 -2.49 0.00 0.00 -0.00 0.00 0.00 30.24 28.14 3kic n GLN 585 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3kic n SER 586 N -0.16 -0.09 0.19 2.61 3.41 -0.68 -4.92 113.62 113.98 3kic n SER 586 Ca 0.07 -1.08 0.04 0.00 -0.26 0.00 0.00 58.87 57.64 3kic n SER 586 Cb 0.41 0.16 0.44 0.00 -0.26 0.00 0.00 64.21 64.96 3kic n SER 586 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kic h SER 587 N 0.09 0.04 0.81 4.04 4.64 -2.04 -2.90 113.55 118.25 3kic h SER 587 Ca -0.01 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.05 3kic h SER 587 Cb 0.06 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3kic h SER 587 CO 0.02 0.28 -1.11 0.78 -0.87 0.00 0.00 176.83 175.92 3kic h ASN 588 N 0.04 0.21 -3.68 4.97 2.35 -1.96 -3.46 115.58 114.05 3kic h ASN 588 Ca 0.01 -0.22 -0.68 0.00 -0.55 0.00 0.00 56.30 54.85 3kic h ASN 588 Cb 0.44 -0.07 -0.31 0.00 0.05 0.00 0.00 38.32 38.43 3kic h ASN 588 CO 0.03 1.17 -0.86 -0.89 -1.65 0.00 0.00 177.43 175.24 3kic s THR 589 N -2.70 2.28 -0.04 2.81 2.01 -1.09 -5.11 115.64 113.80 3kic s THR 589 Ca -0.01 -0.97 -0.24 0.00 0.31 0.00 0.00 61.69 60.77 3kic s THR 589 Cb 0.09 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3kic s THR 589 CO 0.85 0.56 0.75 0.00 -0.69 0.00 0.00 174.62 176.09 3kic s ALA 590 N 0.05 3.31 0.04 7.40 0.00 -1.26 -1.68 121.76 129.62 3kic s ALA 590 Ca -0.09 0.21 -0.34 0.00 0.00 0.00 0.00 51.96 51.73 3kic s ALA 590 Cb -0.15 -3.01 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 3kic s ALA 590 CO 0.06 -0.10 1.69 -0.35 0.00 0.00 0.00 175.76 177.05 3kic n PRO 591 N 3.68 2.06 -4.05 0.00 -0.04 -1.26 -4.89 135.00 130.50 3kic n PRO 591 Ca -0.00 0.75 -0.35 0.00 -0.04 0.00 0.00 63.50 63.85 3kic n PRO 591 Cb 0.51 -2.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.37 3kic n PRO 591 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3kic s THR 592 N 2.21 5.03 -0.07 0.52 2.01 -1.26 -5.09 115.64 118.98 3kic s THR 592 Ca 0.85 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.80 3kic s THR 592 Cb -0.72 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 3kic s THR 592 CO 0.45 0.50 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.75 3kic s THR 593 N -1.08 2.05 -0.10 -0.82 2.01 -1.26 -3.46 115.64 112.98 3kic s THR 593 Ca 0.18 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 61.18 3kic s THR 593 Cb -0.12 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.65 3kic s THR 593 CO 0.08 0.56 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.76 3kic s ARG 594 N 0.01 2.87 -0.17 4.92 3.00 -0.41 -5.00 118.95 124.17 3kic s ARG 594 Ca -0.09 -0.82 -0.29 0.00 -1.00 0.00 0.00 55.73 53.53 3kic s ARG 594 Cb -0.15 -2.19 -0.00 0.00 0.00 0.00 0.00 34.95 32.60 3kic s ARG 594 CO 0.05 0.15 1.09 0.99 0.00 0.00 0.00 175.30 177.59 3kic s THR 595 N 0.41 4.58 -0.30 4.11 2.01 -1.26 -1.66 115.64 123.53 3kic s THR 595 Ca -0.18 1.89 -0.22 0.00 0.31 0.00 0.00 61.69 63.50 3kic s THR 595 Cb -0.18 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 3kic s THR 595 CO 0.08 -0.11 0.70 0.54 -0.69 0.00 0.00 174.62 175.13 3kic s VAL 596 N 2.90 4.88 -1.16 3.82 0.11 -1.05 -4.91 120.40 124.99 3kic s VAL 596 Ca 0.48 1.03 0.20 0.00 -2.93 0.00 0.00 61.98 60.76 3kic s VAL 596 Cb -0.18 -4.06 -0.16 0.00 -1.53 0.00 0.00 36.38 30.45 3kic s VAL 596 CO 0.12 -0.17 0.88 0.59 -3.33 0.00 0.00 175.10 173.19 3kic n ASN 597 N 6.00 1.17 -3.70 3.54 3.02 -1.26 -1.41 115.26 122.62 3kic n ASN 597 Ca 0.01 -1.08 -0.15 0.00 -0.03 0.00 0.00 54.58 53.33 3kic n ASN 597 Cb 0.48 0.87 -0.15 0.00 -0.61 0.00 0.00 39.78 40.38 3kic n ASN 597 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kic s ASP 598 N -2.71 0.32 -0.14 6.41 2.15 -1.26 -2.54 116.67 118.90 3kic s ASP 598 Ca 0.10 0.36 -0.01 0.00 0.43 0.00 0.00 52.55 53.44 3kic s ASP 598 Cb 0.15 0.30 0.03 0.00 -0.30 0.00 0.00 42.92 43.10 3kic s ASP 598 CO 0.73 -0.20 -0.06 -1.58 -0.17 0.00 0.00 175.17 173.89 3kic s GLN 599 N 1.83 1.41 0.00 4.34 2.00 -0.96 -5.01 119.66 123.27 3kic s GLN 599 Ca -0.02 -0.35 0.00 0.00 -2.00 0.00 0.00 55.36 52.98 3kic s GLN 599 Cb -0.12 -1.75 0.00 0.00 0.80 0.00 0.00 33.01 31.94 3kic s GLN 599 CO -0.06 -0.35 0.00 0.41 -0.50 0.00 0.00 175.29 174.79 3kic n GLY 600 N 4.93 -1.85 3.89 2.59 0.00 -1.26 -2.93 105.19 110.55 3kic n GLY 600 Ca -0.12 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 3kic n GLY 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kic s ALA 601 N -2.80 3.90 -0.00 4.61 0.00 -1.26 -4.63 121.76 121.58 3kic s ALA 601 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3kic s ALA 601 Cb 0.00 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 3kic s ALA 601 CO 0.00 0.69 -0.02 -0.51 0.00 0.00 0.00 175.76 175.92 3kic s LEU 602 N -1.75 2.01 0.01 0.00 1.43 -1.26 -5.11 118.68 114.01 3kic s LEU 602 Ca 0.26 -0.04 -0.32 0.00 -1.03 0.00 0.00 54.13 53.00 3kic s LEU 602 Cb -0.13 -0.08 -0.10 0.00 0.03 0.00 0.00 46.19 45.91 3kic s LEU 602 CO 0.16 0.01 1.91 -2.65 0.23 0.00 0.00 176.35 176.01 3kic n PRO 603 N 2.99 2.60 0.00 1.29 -0.02 -1.26 -1.61 135.00 139.00 3kic n PRO 603 Ca -0.13 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3kic n PRO 603 Cb 0.59 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3kic n PRO 603 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kic n GLY 604 N 4.41 2.09 3.76 -1.23 0.00 -1.26 -4.92 105.19 108.04 3kic n GLY 604 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3kic n GLY 604 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kic s MET 605 N -0.42 4.46 0.09 1.61 -1.94 -0.63 -1.85 119.30 120.61 3kic s MET 605 Ca 0.00 2.07 0.04 0.00 -1.71 0.00 0.00 55.69 56.08 3kic s MET 605 Cb 0.00 -3.12 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 3kic s MET 605 CO 0.00 -0.05 -0.11 0.14 -0.01 0.00 0.00 175.02 175.00 3kic s VAL 606 N -1.12 0.96 0.30 -6.03 -7.23 -0.67 -4.89 120.40 101.72 3kic s VAL 606 Ca 0.47 -1.58 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 3kic s VAL 606 Cb -0.37 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.30 3kic s VAL 606 CO 0.48 -0.51 0.71 -1.66 -0.31 0.00 0.00 175.10 173.81 3kic s TRP 607 N -2.26 -0.06 0.32 2.82 -2.14 -1.26 -1.85 118.94 114.51 3kic s TRP 607 Ca 0.04 -0.43 0.09 0.00 2.66 0.00 0.00 56.10 58.46 3kic s TRP 607 Cb -0.04 0.68 -0.05 0.00 -3.10 0.00 0.00 33.47 30.96 3kic s TRP 607 CO 0.00 -1.28 0.05 -1.14 -2.66 0.00 0.00 176.95 171.92 3kic s GLN 608 N -3.59 2.23 0.42 3.25 2.00 -1.26 -5.06 119.66 117.65 3kic s GLN 608 Ca 0.13 -1.60 0.08 0.00 -2.00 0.00 0.00 55.36 51.97 3kic s GLN 608 Cb -0.05 -2.07 -0.01 0.00 0.80 0.00 0.00 33.01 31.67 3kic s GLN 608 CO 0.08 0.19 0.44 -0.51 -0.50 0.00 0.00 175.29 174.99 3kic s ASP 609 N -3.75 5.24 0.54 6.67 1.01 -1.26 -4.75 116.67 120.36 3kic s ASP 609 Ca 0.35 -0.65 -0.22 0.00 0.71 0.00 0.00 52.55 52.74 3kic s ASP 609 Cb -0.03 -0.59 -0.05 0.00 1.01 0.00 0.00 42.92 43.26 3kic s ASP 609 CO 0.21 -0.69 1.33 -0.13 0.21 0.00 0.00 175.17 176.10 3kic s ARG 610 N -4.20 3.22 0.85 8.23 0.52 -1.26 -5.00 118.95 121.31 3kic s ARG 610 Ca 0.50 2.17 -0.12 0.00 -0.52 0.00 0.00 55.73 57.76 3kic s ARG 610 Cb -0.05 -2.27 0.10 0.00 0.52 0.00 0.00 34.95 33.25 3kic s ARG 610 CO 0.29 -1.10 1.10 0.34 0.02 0.00 0.00 175.30 175.95 3kic s ASP 611 N -1.02 3.94 0.05 0.23 2.15 -1.26 -4.56 116.67 116.21 3kic s ASP 611 Ca 0.71 1.32 0.07 0.00 0.43 0.00 0.00 52.55 55.07 3kic s ASP 611 Cb -0.39 -2.01 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 3kic s ASP 611 CO 0.46 -2.32 -0.17 0.68 -0.17 0.00 0.00 175.17 173.65 3kic s VAL 612 N -3.09 2.87 0.16 1.11 -7.23 -1.26 -4.70 120.40 108.26 3kic s VAL 612 Ca 0.62 -1.20 0.11 0.00 -1.81 0.00 0.00 61.98 59.71 3kic s VAL 612 Cb -0.16 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 3kic s VAL 612 CO 0.55 0.31 -0.26 -0.31 -0.31 0.00 0.00 175.10 175.08 3kic s TYR 613 N -0.96 2.31 0.49 2.82 1.51 -1.26 -3.99 117.35 118.27 3kic s TYR 613 Ca 0.15 -0.37 0.36 0.00 -1.01 0.00 0.00 57.07 56.21 3kic s TYR 613 Cb -0.11 -1.20 1.52 0.00 -0.11 0.00 0.00 41.96 42.06 3kic s TYR 613 CO 0.06 0.41 1.65 1.25 -1.11 0.00 0.00 175.55 177.82 3kic h LEU 614 N 3.57 0.15 -3.26 -1.29 5.85 -1.78 0.99 115.31 119.54 3kic h LEU 614 Ca -0.49 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3kic h LEU 614 Cb 1.19 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 3kic h LEU 614 CO 0.43 -0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.45 3kic n GLN 615 N -4.38 2.85 -2.49 1.25 0.00 -1.26 0.46 117.38 113.81 3kic n GLN 615 Ca 0.37 -2.85 -0.24 0.00 0.00 0.00 0.00 57.00 54.27 3kic n GLN 615 Cb 1.53 -1.84 0.09 0.00 0.00 0.00 0.00 30.24 30.02 3kic n GLN 615 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3kic s GLY 616 N -1.98 1.77 0.61 2.61 0.00 0.34 -4.74 107.32 105.94 3kic s GLY 616 Ca 0.42 -1.47 -0.17 0.00 0.00 0.00 0.00 44.72 43.50 3kic s GLY 616 CO 0.08 -0.98 1.14 -4.14 0.00 0.00 0.00 173.10 169.20 3kic s PRO 617 N -5.12 2.98 -0.16 2.90 0.02 -1.26 -2.12 135.00 132.25 3kic s PRO 617 Ca 0.64 1.56 -0.15 0.00 0.02 0.00 0.00 61.00 63.07 3kic s PRO 617 Cb -0.07 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 3kic s PRO 617 CO 0.44 -1.14 -0.29 -0.89 -0.33 0.00 0.00 177.00 174.79 3kic n ILE 618 N -1.91 1.35 -4.62 2.83 5.41 -0.52 -4.64 119.36 117.27 3kic n ILE 618 Ca 0.11 0.18 -0.28 0.00 1.00 0.00 0.00 62.75 63.77 3kic n ILE 618 Cb 0.51 -2.28 -0.07 0.00 -0.71 0.00 0.00 39.64 37.09 3kic n ILE 618 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.55 173.88 3kic n TRP 619 N -4.31 0.63 -3.64 1.39 2.14 -1.26 -0.39 117.44 112.01 3kic n TRP 619 Ca -0.12 -2.53 -0.11 0.00 2.07 0.00 0.00 57.50 56.82 3kic n TRP 619 Cb 0.43 -0.16 -0.07 0.00 -0.81 0.00 0.00 31.31 30.70 3kic n TRP 619 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3kic s ALA 620 N -2.98 -1.89 0.16 -1.67 0.00 0.15 -4.60 121.76 110.93 3kic s ALA 620 Ca 0.11 2.08 -0.31 0.00 0.00 0.00 0.00 51.96 53.84 3kic s ALA 620 Cb 0.01 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.71 3kic s ALA 620 CO 0.07 -0.32 1.38 0.21 0.00 0.00 0.00 175.76 177.10 3kic s LYS 621 N 0.66 4.33 -0.26 0.00 2.20 -1.26 -0.90 119.74 124.50 3kic s LYS 621 Ca -0.02 2.11 -0.27 0.00 -0.36 0.00 0.00 55.97 57.43 3kic s LYS 621 Cb -0.05 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3kic s LYS 621 CO -0.06 -0.39 0.94 0.42 -0.36 0.00 0.00 175.35 175.90 3kic s ILE 622 N 0.70 4.72 0.20 5.43 1.01 0.59 -4.83 121.20 129.02 3kic s ILE 622 Ca 0.62 1.71 -0.32 0.00 0.00 0.00 0.00 60.65 62.66 3kic s ILE 622 Cb -0.38 -4.24 -0.15 0.00 0.01 0.00 0.00 42.46 37.70 3kic s ILE 622 CO 0.34 -0.21 1.28 -2.65 0.00 0.00 0.00 174.94 173.70 3kic n PRO 623 N 6.30 1.55 -2.50 2.79 -0.02 -1.26 -4.76 135.00 137.10 3kic n PRO 623 Ca 0.09 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 3kic n PRO 623 Cb 0.47 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3kic n PRO 623 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kic s HIS 624 N -0.11 2.61 0.51 6.00 2.46 -1.26 -4.93 115.29 120.57 3kic s HIS 624 Ca 0.71 -1.18 0.01 0.00 0.47 0.00 0.00 55.06 55.08 3kic s HIS 624 Cb -0.76 -4.64 -0.01 0.00 -0.13 0.00 0.00 32.58 27.03 3kic s HIS 624 CO 0.51 -1.77 0.01 0.95 -2.47 0.00 0.00 174.74 171.97 3kic s THR 625 N 5.29 1.21 0.24 0.89 -4.23 -1.26 -5.04 115.64 112.74 3kic s THR 625 Ca 0.54 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3kic s THR 625 Cb 0.02 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.74 3kic s THR 625 CO 0.05 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.28 3kic h ASP 626 N 1.35 0.00 -4.29 3.99 3.32 -2.05 -3.45 116.42 115.29 3kic h ASP 626 Ca -0.44 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 3kic h ASP 626 Cb 1.31 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.62 3kic h ASP 626 CO 0.74 0.46 -0.65 -0.83 -1.72 0.00 0.00 179.24 177.24 3kic s GLY 627 N -4.39 0.06 0.19 2.75 0.00 -1.26 -5.15 107.32 99.53 3kic s GLY 627 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3kic s GLY 627 CO 0.72 -0.17 0.08 0.30 0.00 0.00 0.00 173.10 174.02 3kic s HIS 628 N -0.62 1.21 0.00 1.90 3.76 -1.26 -5.10 115.29 115.17 3kic s HIS 628 Ca -0.07 -1.22 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 3kic s HIS 628 Cb -0.04 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 32.99 3kic s HIS 628 CO -0.00 -0.44 0.00 0.34 -0.85 0.00 0.00 174.74 173.79 3kic n PHE 629 N -0.28 0.00 -3.74 1.40 7.35 -1.26 -4.97 117.46 115.96 3kic n PHE 629 Ca -0.02 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.32 3kic n PHE 629 Cb 0.65 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.38 3kic n PHE 629 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3kic s HIS 630 N 0.00 3.40 -0.15 -5.13 2.46 -1.26 -4.97 115.29 109.63 3kic s HIS 630 Ca 0.00 -2.81 0.00 0.00 0.47 0.00 0.00 55.06 52.72 3kic s HIS 630 Cb 0.00 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 29.30 3kic s HIS 630 CO 0.00 -0.82 0.26 -2.30 -2.47 0.00 0.00 174.74 169.42 3kic n PRO 631 N 3.32 0.28 -2.82 2.88 -0.02 -1.26 -4.77 135.00 132.61 3kic n PRO 631 Ca 0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 3kic n PRO 631 Cb 0.37 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 3kic n PRO 631 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kic s SER 632 N 0.74 7.08 0.15 2.55 0.15 -1.26 -4.16 113.70 118.95 3kic s SER 632 Ca 0.00 1.32 -0.34 0.00 0.70 0.00 0.00 55.95 57.63 3kic s SER 632 Cb 0.00 -2.49 -0.15 0.00 -1.71 0.00 0.00 66.02 61.67 3kic s SER 632 CO 0.00 -0.39 1.35 -2.65 1.20 0.00 0.00 173.24 172.75 3kic n PRO 633 N 4.98 1.50 0.22 5.44 -0.02 -1.26 -4.84 135.00 141.02 3kic n PRO 633 Ca 0.06 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3kic n PRO 633 Cb 0.49 -2.17 0.52 0.00 -0.02 0.00 0.00 33.50 32.32 3kic n PRO 633 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kic h LEU 634 N 4.45 0.00 0.00 2.45 3.38 -1.94 0.12 115.31 123.78 3kic h LEU 634 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kic h LEU 634 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3kic h LEU 634 CO 0.78 0.24 0.00 0.23 0.09 0.00 0.00 178.44 179.78 3kic n MET 635 N -3.68 0.53 0.00 1.13 2.81 -1.26 -4.85 117.12 111.80 3kic n MET 635 Ca -0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3kic n MET 635 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 3kic n MET 635 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kic n GLY 636 N 0.92 2.39 0.00 3.03 0.00 0.43 -4.82 105.19 107.14 3kic n GLY 636 Ca 0.15 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3kic n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kic n GLY 637 N 1.43 -0.57 3.50 -0.02 0.00 -1.26 -4.63 105.19 103.64 3kic n GLY 637 Ca 0.00 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 3kic n GLY 637 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kic s PHE 638 N 0.00 3.13 -0.21 1.61 0.40 0.47 -4.38 117.98 119.00 3kic s PHE 638 Ca 0.00 -0.26 -0.17 0.00 -0.60 0.00 0.00 56.93 55.90 3kic s PHE 638 Cb 0.00 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 3kic s PHE 638 CO 0.00 -0.20 0.46 0.20 0.70 0.00 0.00 175.22 176.38 3kic s GLY 639 N 1.24 2.05 -0.08 4.36 0.00 -1.26 -0.67 107.32 112.95 3kic s GLY 639 Ca 0.05 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.31 3kic s GLY 639 CO 0.03 0.98 -0.21 1.08 0.00 0.00 0.00 173.10 174.99 3kic s LEU 640 N 1.60 1.98 0.20 0.66 1.43 -0.08 -4.88 118.68 119.58 3kic s LEU 640 Ca 0.21 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 3kic s LEU 640 Cb -0.15 -1.23 0.14 0.00 0.03 0.00 0.00 46.19 44.98 3kic s LEU 640 CO 0.09 0.15 1.79 0.11 0.23 0.00 0.00 176.35 178.72 3kic h LYS 641 N 6.56 1.08 -2.77 1.70 1.79 -1.87 0.17 116.57 123.24 3kic h LYS 641 Ca -0.26 -0.17 -0.60 0.00 -2.18 0.00 0.00 60.65 57.44 3kic h LYS 641 Cb 1.21 -0.19 -0.40 0.00 -1.58 0.00 0.00 32.23 31.27 3kic h LYS 641 CO 0.47 0.86 -0.78 -1.01 -1.08 0.00 0.00 179.45 177.91 3kic s HIS 642 N -5.67 2.10 0.84 -1.35 3.76 -1.26 -4.63 115.29 109.09 3kic s HIS 642 Ca -0.13 -2.65 -0.12 0.00 -0.15 0.00 0.00 55.06 52.02 3kic s HIS 642 Cb 0.15 -1.75 0.10 0.00 1.11 0.00 0.00 32.58 32.19 3kic s HIS 642 CO 0.82 -0.73 1.16 -2.14 -0.85 0.00 0.00 174.74 173.00 3kic s PRO 643 N -0.30 1.68 -0.17 8.40 0.02 -1.26 -4.78 135.00 138.60 3kic s PRO 643 Ca 0.26 0.19 -0.39 0.00 0.02 0.00 0.00 61.00 61.08 3kic s PRO 643 Cb -0.08 -1.91 -0.16 0.00 0.02 0.00 0.00 34.50 32.38 3kic s PRO 643 CO -0.12 -1.81 1.65 -2.30 -0.33 0.00 0.00 177.00 174.09 3kic n PRO 644 N -3.48 1.24 -0.99 5.54 -0.02 -1.26 -4.89 135.00 131.14 3kic n PRO 644 Ca 0.07 0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 3kic n PRO 644 Cb 0.60 -2.14 0.15 0.00 -0.02 0.00 0.00 33.50 32.09 3kic n PRO 644 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kic s PRO 645 N 2.76 1.22 0.11 0.52 0.04 -1.26 -4.98 135.00 133.40 3kic s PRO 645 Ca 0.94 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 3kic s PRO 645 Cb -1.01 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 3kic s PRO 645 CO 0.59 -2.36 0.96 -0.65 0.04 0.00 0.00 177.00 175.58 3kic s GLN 646 N -4.78 4.69 -0.43 4.56 -0.21 -1.26 -4.84 119.66 117.39 3kic s GLN 646 Ca 0.64 1.44 -0.10 0.00 0.02 0.00 0.00 55.36 57.36 3kic s GLN 646 Cb -0.20 -3.38 0.08 0.00 1.00 0.00 0.00 33.01 30.51 3kic s GLN 646 CO 0.58 0.21 0.29 0.42 -2.12 0.00 0.00 175.29 174.66 3kic s ILE 647 N 0.03 4.42 0.32 1.08 1.09 -1.26 -1.21 121.20 125.67 3kic s ILE 647 Ca 0.47 -1.35 -0.17 0.00 -1.10 0.00 0.00 60.65 58.51 3kic s ILE 647 Cb -0.23 -3.70 -0.09 0.00 -1.06 0.00 0.00 42.46 37.38 3kic s ILE 647 CO 0.30 -0.53 0.77 -0.04 -0.10 0.00 0.00 174.94 175.33 3kic s MET 648 N 1.46 4.08 -0.18 2.79 -1.94 0.12 -1.95 119.30 123.69 3kic s MET 648 Ca 0.03 0.77 -0.14 0.00 -1.71 0.00 0.00 55.69 54.64 3kic s MET 648 Cb -0.23 -2.47 0.05 0.00 2.01 0.00 0.00 34.83 34.18 3kic s MET 648 CO 0.03 0.17 0.46 -1.50 -0.01 0.00 0.00 175.02 174.17 3kic s ILE 649 N -1.93 -0.01 -0.13 2.53 1.10 -0.89 -2.17 121.20 119.70 3kic s ILE 649 Ca 0.53 0.02 -0.29 0.00 -0.51 0.00 0.00 60.65 60.41 3kic s ILE 649 Cb -0.11 -0.66 0.08 0.00 0.15 0.00 0.00 42.46 41.92 3kic s ILE 649 CO 0.17 0.01 0.77 -1.59 -2.11 0.00 0.00 174.94 172.19 3kic s LYS 650 N 0.63 0.89 0.06 3.50 0.00 -0.72 0.08 119.74 124.17 3kic s LYS 650 Ca -0.03 0.41 -0.31 0.00 0.00 0.00 0.00 55.97 56.05 3kic s LYS 650 Cb -0.05 0.43 -0.05 0.00 0.00 0.00 0.00 37.83 38.15 3kic s LYS 650 CO -0.04 -0.24 1.19 -0.80 0.00 0.00 0.00 175.35 175.47 3kic s ASN 651 N -0.76 7.08 0.14 0.03 0.01 -1.26 -0.96 114.94 119.23 3kic s ASN 651 Ca -0.06 2.00 -0.31 0.00 -0.71 0.00 0.00 52.86 53.78 3kic s ASN 651 Cb -0.01 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.98 3kic s ASN 651 CO 0.06 -0.47 1.44 -0.89 -1.51 0.00 0.00 177.10 175.73 3kic s THR 652 N 1.10 3.06 0.16 1.60 2.01 -1.17 -4.93 115.64 117.46 3kic s THR 652 Ca 0.58 0.77 -0.33 0.00 0.31 0.00 0.00 61.69 63.02 3kic s THR 652 Cb -0.29 -3.50 -0.13 0.00 0.01 0.00 0.00 72.50 68.59 3kic s THR 652 CO 0.29 0.07 1.64 -2.65 -0.69 0.00 0.00 174.62 173.27 3kic n PRO 653 N 3.80 2.32 -3.97 4.92 -0.02 -1.26 -4.83 135.00 135.95 3kic n PRO 653 Ca 0.12 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 62.11 3kic n PRO 653 Cb 0.41 -2.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.12 3kic n PRO 653 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kic s VAL 654 N 1.23 2.55 0.47 -1.45 1.01 -1.26 -5.08 120.40 117.86 3kic s VAL 654 Ca 0.79 -1.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 3kic s VAL 654 Cb -0.63 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3kic s VAL 654 CO 0.37 -0.40 1.30 -2.65 0.00 0.00 0.00 175.10 173.73 3kic n PRO 655 N 4.42 1.86 -0.41 2.72 -0.02 -1.26 -0.70 135.00 141.61 3kic n PRO 655 Ca -0.04 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3kic n PRO 655 Cb 0.42 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3kic n PRO 655 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kic n ALA 656 N -0.51 0.00 -1.68 3.55 0.00 0.15 -4.59 120.51 117.43 3kic n ALA 656 Ca 0.08 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.94 3kic n ALA 656 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 3kic n ALA 656 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kic n ASN 657 N -2.33 2.21 -4.88 0.00 5.03 -1.26 -4.97 115.26 109.05 3kic n ASN 657 Ca 0.00 1.02 -0.30 0.00 0.87 0.00 0.00 54.58 56.16 3kic n ASN 657 Cb 0.00 -1.12 -0.04 0.00 -1.02 0.00 0.00 39.78 37.60 3kic n ASN 657 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 3kic s PRO 658 N 3.84 3.75 0.33 3.52 0.02 -1.26 -5.03 135.00 140.17 3kic s PRO 658 Ca 1.01 0.24 -0.28 0.00 0.02 0.00 0.00 61.00 61.99 3kic s PRO 658 Cb -1.11 -2.59 -0.10 0.00 0.02 0.00 0.00 34.50 30.73 3kic s PRO 658 CO 0.66 0.20 1.19 -2.14 -0.33 0.00 0.00 177.00 176.59 3kic s PRO 659 N -3.29 4.38 0.49 5.54 0.02 -1.26 -4.93 135.00 135.96 3kic s PRO 659 Ca 0.47 1.96 0.33 0.00 0.02 0.00 0.00 61.00 63.78 3kic s PRO 659 Cb -0.11 -3.00 1.68 0.00 0.02 0.00 0.00 34.50 33.09 3kic s PRO 659 CO 0.26 -0.07 2.01 1.15 -0.33 0.00 0.00 177.00 180.02 3kic h THR 660 N 2.86 0.00 -3.03 0.99 2.02 -2.05 -3.41 112.91 110.29 3kic h THR 660 Ca -0.48 -0.13 -0.65 0.00 0.77 0.00 0.00 66.41 65.92 3kic h THR 660 Cb 1.22 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 68.49 3kic h THR 660 CO 0.65 0.00 -0.56 0.28 0.37 0.00 0.00 175.52 176.27 3kic s THR 661 N -3.78 4.89 -0.14 3.16 -1.32 -1.26 -5.07 115.64 112.13 3kic s THR 661 Ca -0.02 -0.32 -0.29 0.00 -1.21 0.00 0.00 61.69 59.85 3kic s THR 661 Cb 0.10 -3.23 -0.02 0.00 -1.51 0.00 0.00 72.50 67.83 3kic s THR 661 CO 0.37 0.37 1.31 0.12 -2.21 0.00 0.00 174.62 174.59 3kic s PHE 662 N -1.20 2.75 -0.18 9.09 5.36 -1.26 -5.02 117.98 127.53 3kic s PHE 662 Ca 0.23 0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 57.10 3kic s PHE 662 Cb -0.12 -3.56 -0.00 0.00 -0.34 0.00 0.00 43.02 39.00 3kic s PHE 662 CO 0.14 -1.98 -0.13 0.45 -1.46 0.00 0.00 175.22 172.24 3kic s SER 663 N 2.13 3.79 0.37 6.13 0.15 -1.26 -5.00 113.70 120.01 3kic s SER 663 Ca 0.57 -0.46 0.19 0.00 0.70 0.00 0.00 55.95 56.95 3kic s SER 663 Cb -0.24 -1.60 0.63 0.00 -1.71 0.00 0.00 66.02 63.10 3kic s SER 663 CO 0.17 0.05 1.71 -0.65 1.20 0.00 0.00 173.24 175.72 3kic h PRO 664 N 7.59 0.00 -6.46 5.44 0.11 -2.05 -3.47 132.00 133.16 3kic h PRO 664 Ca -0.37 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.15 3kic h PRO 664 Cb 1.17 0.00 0.16 0.00 0.11 0.00 0.00 31.00 32.45 3kic h PRO 664 CO 0.59 0.37 -0.36 0.00 -0.21 0.00 0.00 178.00 178.40 3kic n ALA 665 N -2.27 -1.14 -1.61 -0.75 0.00 -1.26 -4.83 120.51 108.64 3kic n ALA 665 Ca 0.00 0.05 -0.46 0.00 0.00 0.00 0.00 53.44 53.03 3kic n ALA 665 Cb 0.53 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 3kic n ALA 665 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kic n LYS 666 N 0.16 1.52 -2.54 0.00 4.81 -1.26 -4.90 118.16 115.94 3kic n LYS 666 Ca 0.11 0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 57.67 3kic n LYS 666 Cb 0.45 -2.04 -0.03 0.00 0.02 0.00 0.00 35.03 33.43 3kic n LYS 666 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3kic s PHE 667 N -0.51 3.46 0.00 5.64 2.19 -1.26 -4.89 117.98 122.61 3kic s PHE 667 Ca 0.66 1.43 0.00 0.00 0.33 0.00 0.00 56.93 59.35 3kic s PHE 667 Cb -0.73 -3.31 0.00 0.00 -1.31 0.00 0.00 43.02 37.67 3kic s PHE 667 CO 0.55 -0.80 0.00 0.00 1.83 0.00 0.00 175.22 176.80 3kic n ALA 668 N 4.32 0.97 -2.74 11.12 0.00 -1.26 -5.00 120.51 127.91 3kic n ALA 668 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 3kic n ALA 668 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 3kic n ALA 668 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kic s SER 669 N -0.71 6.27 0.20 0.00 0.15 -1.26 -5.02 113.70 113.32 3kic s SER 669 Ca 0.00 -0.67 0.11 0.00 0.70 0.00 0.00 55.95 56.09 3kic s SER 669 Cb 0.00 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 3kic s SER 669 CO 0.00 -1.22 -0.23 -0.36 1.20 0.00 0.00 173.24 172.63 3kic s PHE 670 N 3.69 2.24 -0.11 3.44 0.40 -1.26 -0.67 117.98 125.71 3kic s PHE 670 Ca 0.25 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 3kic s PHE 670 Cb -0.15 -1.09 -0.01 0.00 0.51 0.00 0.00 43.02 42.27 3kic s PHE 670 CO 0.15 0.51 0.99 0.42 0.70 0.00 0.00 175.22 177.99 3kic s ILE 671 N -1.83 4.79 0.05 0.64 1.01 0.12 -4.71 121.20 121.28 3kic s ILE 671 Ca 0.21 2.01 -0.31 0.00 0.00 0.00 0.00 60.65 62.57 3kic s ILE 671 Cb -0.07 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3kic s ILE 671 CO 0.10 0.01 1.19 0.42 0.00 0.00 0.00 174.94 176.66 3kic s THR 672 N 2.01 4.10 -0.08 2.92 -4.23 -1.26 -4.66 115.64 114.43 3kic s THR 672 Ca 0.47 1.50 -0.31 0.00 -1.18 0.00 0.00 61.69 62.18 3kic s THR 672 Cb -0.18 -3.96 0.09 0.00 1.34 0.00 0.00 72.50 69.78 3kic s THR 672 CO 0.17 0.11 0.77 0.00 -0.54 0.00 0.00 174.62 175.14 3kic s GLN 673 N 1.12 0.93 0.31 3.99 -2.07 -1.26 -1.88 119.66 120.79 3kic s GLN 673 Ca 0.58 0.22 0.05 0.00 -1.82 0.00 0.00 55.36 54.39 3kic s GLN 673 Cb -0.29 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 3kic s GLN 673 CO 0.29 -0.29 0.02 1.52 -1.32 0.00 0.00 175.29 175.51 3kic s TYR 674 N -1.19 1.95 0.21 9.60 -0.85 0.36 -4.25 117.35 123.18 3kic s TYR 674 Ca -0.08 -0.88 0.08 0.00 -0.52 0.00 0.00 57.07 55.67 3kic s TYR 674 Cb -0.00 -1.23 -0.05 0.00 0.38 0.00 0.00 41.96 41.06 3kic s TYR 674 CO 0.07 0.09 -0.16 -1.54 -1.52 0.00 0.00 175.55 172.49 3kic s SER 675 N -3.47 2.72 -0.07 -0.18 1.04 0.78 -0.74 113.70 113.78 3kic s SER 675 Ca 0.34 -0.99 -0.19 0.00 0.48 0.00 0.00 55.95 55.59 3kic s SER 675 Cb 0.07 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.07 3kic s SER 675 CO 0.14 -0.12 0.45 0.28 0.98 0.00 0.00 173.24 174.97 3kic s THR 676 N -2.73 0.03 0.02 2.02 -1.32 -0.03 0.43 115.64 114.05 3kic s THR 676 Ca 0.22 -0.22 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 3kic s THR 676 Cb -0.02 -0.72 0.02 0.00 -1.51 0.00 0.00 72.50 70.27 3kic s THR 676 CO 0.08 -0.12 0.23 0.61 -2.21 0.00 0.00 174.62 173.21 3kic n GLY 677 N 1.66 0.90 3.84 6.08 0.00 -0.90 0.24 105.19 117.01 3kic n GLY 677 Ca -0.18 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 3kic n GLY 677 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kic s GLN 678 N -2.01 3.01 -0.01 1.61 1.11 -0.53 -0.97 119.66 121.88 3kic s GLN 678 Ca 0.05 -0.92 0.02 0.00 0.01 0.00 0.00 55.36 54.53 3kic s GLN 678 Cb -0.00 -2.66 -0.00 0.00 -1.01 0.00 0.00 33.01 29.33 3kic s GLN 678 CO 0.01 0.45 -0.07 0.54 0.01 0.00 0.00 175.29 176.22 3kic s VAL 679 N -1.94 0.60 -0.01 1.09 0.11 -0.45 -2.33 120.40 117.47 3kic s VAL 679 Ca 0.32 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 3kic s VAL 679 Cb -0.09 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 3kic s VAL 679 CO 0.25 0.18 -0.19 -0.55 -3.33 0.00 0.00 175.10 171.46 3kic s SER 680 N -0.10 2.19 -0.10 3.54 0.15 0.26 -1.64 113.70 118.01 3kic s SER 680 Ca 0.02 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.29 3kic s SER 680 Cb -0.04 -0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.07 3kic s SER 680 CO -0.00 0.22 0.06 -0.69 1.20 0.00 0.00 173.24 174.03 3kic s VAL 681 N -0.47 0.01 -0.20 4.45 1.01 0.03 -1.57 120.40 123.66 3kic s VAL 681 Ca 0.07 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 3kic s VAL 681 Cb -0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 3kic s VAL 681 CO -0.01 0.02 -0.08 -0.70 0.00 0.00 0.00 175.10 174.33 3kic s GLU 682 N 2.11 3.32 -0.03 2.72 2.12 -0.12 -1.76 118.70 127.07 3kic s GLU 682 Ca 0.04 -0.67 0.06 0.00 0.36 0.00 0.00 54.97 54.76 3kic s GLU 682 Cb -0.14 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 3kic s GLU 682 CO -0.06 -0.13 -0.20 0.42 -0.54 0.00 0.00 175.26 174.75 3kic s ILE 683 N 1.26 1.62 -0.17 -3.70 1.01 -0.21 -0.24 121.20 120.77 3kic s ILE 683 Ca 0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 3kic s ILE 683 Cb -0.14 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3kic s ILE 683 CO -0.03 0.46 0.05 -0.70 0.00 0.00 0.00 174.94 174.72 3kic s GLU 684 N -0.27 3.82 -0.10 2.79 2.12 -1.05 -1.59 118.70 124.43 3kic s GLU 684 Ca 0.02 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.04 3kic s GLU 684 Cb -0.10 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 3kic s GLU 684 CO 0.01 0.35 -0.21 -1.58 -0.54 0.00 0.00 175.26 173.29 3kic s TRP 685 N 0.15 2.61 -0.03 5.30 0.52 0.32 0.31 118.94 128.13 3kic s TRP 685 Ca 0.04 -0.84 -0.19 0.00 0.02 0.00 0.00 56.10 55.12 3kic s TRP 685 Cb -0.12 -1.72 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 3kic s TRP 685 CO 0.01 -0.30 0.55 -2.00 0.02 0.00 0.00 176.95 175.22 3kic s GLU 686 N 0.21 4.27 -0.03 4.98 2.12 -0.12 -0.88 118.70 129.26 3kic s GLU 686 Ca -0.13 0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.84 3kic s GLU 686 Cb -0.16 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 3kic s GLU 686 CO 0.07 0.36 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.63 3kic s LEU 687 N -0.11 3.51 -0.34 2.70 1.43 -1.00 -1.51 118.68 123.38 3kic s LEU 687 Ca 0.29 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 3kic s LEU 687 Cb -0.17 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3kic s LEU 687 CO 0.15 0.32 0.21 -1.58 0.23 0.00 0.00 176.35 175.68 3kic s GLN 688 N -1.28 3.36 0.54 1.70 0.74 -0.10 -4.81 119.66 119.80 3kic s GLN 688 Ca 0.17 -0.73 -0.18 0.00 0.05 0.00 0.00 55.36 54.67 3kic s GLN 688 Cb -0.11 -3.72 -0.06 0.00 1.10 0.00 0.00 33.01 30.22 3kic s GLN 688 CO 0.07 -0.47 1.06 0.15 -0.55 0.00 0.00 175.29 175.55 3kic s LYS 689 N 1.67 3.50 0.04 1.67 -0.14 -1.26 -0.79 119.74 124.43 3kic s LYS 689 Ca 0.05 1.34 -0.30 0.00 -1.36 0.00 0.00 55.97 55.70 3kic s LYS 689 Cb -0.17 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 3kic s LYS 689 CO 0.09 -0.68 1.06 -2.00 -0.76 0.00 0.00 175.35 173.06 3kic s GLU 690 N -3.60 4.53 -0.44 1.68 -6.30 -1.22 -4.31 118.70 109.04 3kic s GLU 690 Ca 0.67 1.55 0.05 0.00 -2.50 0.00 0.00 54.97 54.74 3kic s GLU 690 Cb -0.18 -3.41 0.18 0.00 0.00 0.00 0.00 34.13 30.73 3kic s GLU 690 CO 0.28 -0.10 0.38 -1.71 0.02 0.00 0.00 175.26 174.14 3kic n ASN 691 N 3.76 -0.01 -4.41 -1.70 5.15 -1.26 -5.01 115.26 111.78 3kic n ASN 691 Ca 0.07 -2.51 -0.31 0.00 -0.60 0.00 0.00 54.58 51.23 3kic n ASN 691 Cb 0.49 -0.58 -0.14 0.00 -0.53 0.00 0.00 39.78 39.02 3kic n ASN 691 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3kic s SER 692 N -0.27 3.55 -0.18 1.20 0.15 -1.26 -5.00 113.70 111.89 3kic s SER 692 Ca 0.33 -0.48 0.16 0.00 0.70 0.00 0.00 55.95 56.65 3kic s SER 692 Cb 0.05 -0.49 0.66 0.00 -1.71 0.00 0.00 66.02 64.53 3kic s SER 692 CO -0.18 0.26 1.57 0.29 1.20 0.00 0.00 173.24 176.38 3kic n LYS 693 N 1.69 3.83 -1.68 5.44 4.76 -1.26 -4.98 118.16 125.96 3kic n LYS 693 Ca -0.16 -2.92 -0.46 0.00 -2.87 0.00 0.00 58.31 51.89 3kic n LYS 693 Cb 0.52 -1.98 -0.04 0.00 -1.84 0.00 0.00 35.03 31.69 3kic n LYS 693 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3kic n ARG 694 N 0.28 2.29 -0.04 1.97 3.00 -1.26 -4.92 116.66 117.98 3kic n ARG 694 Ca 0.24 0.83 -0.15 0.00 -0.00 0.00 0.00 57.85 58.77 3kic n ARG 694 Cb 0.98 -2.64 -0.13 0.00 0.00 0.00 0.00 32.46 30.67 3kic n ARG 694 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 3kic h TRP 695 N 7.24 0.15 -4.14 -0.14 2.91 -2.05 -3.47 115.95 116.45 3kic h TRP 695 Ca -0.46 -0.09 -0.46 0.00 1.13 0.00 0.00 58.89 59.01 3kic h TRP 695 Cb 1.25 -0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.90 3kic h TRP 695 CO 0.72 0.98 0.36 0.54 -1.03 0.00 0.00 178.44 180.02 3kic s ASN 696 N -6.31 6.68 0.56 2.65 4.22 -1.26 -5.02 114.94 116.47 3kic s ASN 696 Ca -0.17 1.64 -0.21 0.00 -2.14 0.00 0.00 52.86 51.99 3kic s ASN 696 Cb -0.01 -2.52 -0.05 0.00 1.28 0.00 0.00 41.25 39.94 3kic s ASN 696 CO 0.72 -0.54 1.15 -2.65 -2.04 0.00 0.00 177.10 173.74 3kic n PRO 697 N -1.24 1.29 -3.10 3.55 -0.02 -1.26 -5.02 135.00 129.20 3kic n PRO 697 Ca 0.07 0.48 -0.19 0.00 -2.02 0.00 0.00 63.50 61.84 3kic n PRO 697 Cb 0.54 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 3kic n PRO 697 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kic s GLU 698 N -2.75 2.91 0.16 -0.52 2.02 -1.26 -5.07 118.70 114.18 3kic s GLU 698 Ca 0.73 -0.98 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 3kic s GLU 698 Cb -0.43 -2.71 -0.07 0.00 0.10 0.00 0.00 34.13 31.02 3kic s GLU 698 CO 0.49 -0.23 0.99 0.96 0.02 0.00 0.00 175.26 177.48 3kic s ILE 699 N -2.39 4.26 0.16 -1.63 -4.36 -1.26 -5.05 121.20 110.93 3kic s ILE 699 Ca 0.51 1.97 0.09 0.00 -0.26 0.00 0.00 60.65 62.96 3kic s ILE 699 Cb -0.10 -4.26 -0.04 0.00 1.25 0.00 0.00 42.46 39.31 3kic s ILE 699 CO 0.34 0.35 -0.20 -1.10 0.24 0.00 0.00 174.94 174.57 3kic s GLN 700 N -0.36 1.31 0.31 0.37 -1.52 -1.26 -4.42 119.66 114.09 3kic s GLN 700 Ca 0.46 -1.39 -0.28 0.00 -1.95 0.00 0.00 55.36 52.20 3kic s GLN 700 Cb -0.25 -1.47 -0.09 0.00 -0.22 0.00 0.00 33.01 30.98 3kic s GLN 700 CO 0.32 0.31 1.06 -0.47 -0.25 0.00 0.00 175.29 176.26 3kic s TYR 701 N -1.80 3.53 0.10 0.91 5.04 -1.26 -5.04 117.35 118.82 3kic s TYR 701 Ca 0.15 1.71 -0.22 0.00 -2.44 0.00 0.00 57.07 56.27 3kic s TYR 701 Cb -0.07 -3.20 0.06 0.00 0.35 0.00 0.00 41.96 39.10 3kic s TYR 701 CO 0.07 -0.46 0.54 -0.08 -1.34 0.00 0.00 175.55 174.29 3kic s THR 702 N -1.32 0.02 0.38 4.34 -1.32 -1.26 -5.05 115.64 111.42 3kic s THR 702 Ca 0.48 -0.19 -0.07 0.00 -1.21 0.00 0.00 61.69 60.71 3kic s THR 702 Cb -0.28 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 3kic s THR 702 CO 0.36 -0.10 0.69 -0.44 -2.21 0.00 0.00 174.62 172.91 3kic s SER 703 N -2.37 6.43 -0.28 8.08 0.01 -1.26 -5.02 113.70 119.29 3kic s SER 703 Ca -0.02 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 57.87 3kic s SER 703 Cb -0.00 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 3kic s SER 703 CO -0.07 -0.36 1.55 0.20 0.41 0.00 0.00 173.24 174.97 3kic s ASN 704 N -3.40 6.36 0.01 2.44 0.02 -1.26 -4.85 114.94 114.25 3kic s ASN 704 Ca 0.47 1.38 0.09 0.00 -1.02 0.00 0.00 52.86 53.79 3kic s ASN 704 Cb -0.10 -2.53 0.40 0.00 0.02 0.00 0.00 41.25 39.03 3kic s ASN 704 CO 0.34 -1.31 1.30 0.00 0.02 0.00 0.00 177.10 177.45 3kic n TYR 705 N 8.59 0.02 -1.86 2.20 0.18 -1.26 -4.81 117.16 120.21 3kic n TYR 705 Ca 0.18 0.01 -0.38 0.00 1.88 0.00 0.00 57.90 59.59 3kic n TYR 705 Cb 0.46 -0.51 0.04 0.00 -0.38 0.00 0.00 39.34 38.95 3kic n TYR 705 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 3kic s ASN 706 N -3.02 5.23 -0.23 9.48 0.01 -1.26 -4.89 114.94 120.26 3kic s ASN 706 Ca 0.04 2.63 -0.35 0.00 -0.71 0.00 0.00 52.86 54.47 3kic s ASN 706 Cb 0.06 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.98 3kic s ASN 706 CO 0.17 -1.58 1.99 1.17 -1.51 0.00 0.00 177.10 177.33 3kic n LYS 707 N -1.21 1.57 -4.42 -0.60 4.81 -1.26 -4.93 118.16 112.11 3kic n LYS 707 Ca 0.12 0.53 -0.21 0.00 -0.87 0.00 0.00 58.31 57.87 3kic n LYS 707 Cb 0.47 -2.52 -0.10 0.00 0.02 0.00 0.00 35.03 32.90 3kic n LYS 707 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kic s SER 708 N 5.43 2.84 0.00 3.14 0.15 -1.26 -5.10 113.70 118.89 3kic s SER 708 Ca 1.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3kic s SER 708 Cb -0.80 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 3kic s SER 708 CO 0.53 -0.28 0.18 0.52 1.20 0.00 0.00 173.24 175.39 3kic n VAL 709 N -0.56 0.00 -3.97 4.45 0.31 -1.26 -4.91 118.33 112.39 3kic n VAL 709 Ca -0.06 0.44 -0.27 0.00 -0.01 0.00 0.00 64.34 64.45 3kic n VAL 709 Cb 0.63 -0.98 -0.04 0.00 -0.91 0.00 0.00 33.84 32.54 3kic n VAL 709 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3kic s ASN 710 N -1.53 6.14 0.10 4.52 0.02 -1.26 -5.09 114.94 117.84 3kic s ASN 710 Ca 0.00 0.11 -0.27 0.00 -1.02 0.00 0.00 52.86 51.69 3kic s ASN 710 Cb 0.00 -1.80 -0.06 0.00 0.02 0.00 0.00 41.25 39.41 3kic s ASN 710 CO 0.00 0.07 0.83 -0.69 0.02 0.00 0.00 177.10 177.33 3kic s VAL 711 N -1.70 4.54 0.21 1.60 1.01 -1.26 -5.00 120.40 119.80 3kic s VAL 711 Ca 0.34 1.79 -0.32 0.00 0.00 0.00 0.00 61.98 63.79 3kic s VAL 711 Cb -0.11 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.96 3kic s VAL 711 CO 0.27 0.40 1.70 0.47 0.00 0.00 0.00 175.10 177.94 3kic n ASP 712 N 2.42 3.92 -2.66 3.32 8.00 -1.26 -3.51 116.55 126.78 3kic n ASP 712 Ca -0.02 1.07 -0.06 0.00 0.71 0.00 0.00 54.79 56.49 3kic n ASP 712 Cb 0.49 -1.56 0.03 0.00 -0.02 0.00 0.00 41.12 40.06 3kic n ASP 712 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kic n PHE 713 N 3.81 -1.89 -3.87 1.24 3.01 -1.24 -5.02 117.46 113.51 3kic n PHE 713 Ca 0.16 0.69 -0.09 0.00 1.01 0.00 0.00 57.45 59.21 3kic n PHE 713 Cb 0.34 -3.49 -0.05 0.00 -0.01 0.00 0.00 39.48 36.27 3kic n PHE 713 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3kic s THR 714 N -3.15 0.03 0.50 4.37 2.01 -1.22 -4.93 115.64 113.25 3kic s THR 714 Ca 0.17 -1.10 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 3kic s THR 714 Cb -0.02 -1.82 -0.07 0.00 0.01 0.00 0.00 72.50 70.60 3kic s THR 714 CO 0.52 -0.13 0.92 0.68 -0.69 0.00 0.00 174.62 175.92 3kic s VAL 715 N -3.94 4.65 0.00 3.82 -7.23 -1.26 -2.36 120.40 114.09 3kic s VAL 715 Ca 0.15 0.94 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 3kic s VAL 715 Cb 0.00 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.18 3kic s VAL 715 CO 0.01 -0.73 0.00 -0.90 -0.31 0.00 0.00 175.10 173.17 3kic n ASP 716 N -1.74 0.56 -0.33 4.85 5.68 -1.18 -4.82 116.55 119.57 3kic n ASP 716 Ca 0.05 -0.39 0.11 0.00 -0.50 0.00 0.00 54.79 54.06 3kic n ASP 716 Cb 0.54 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.84 3kic n ASP 716 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kic h THR 717 N 0.11 0.82 -0.61 2.12 1.35 -1.99 -1.56 112.91 113.16 3kic h THR 717 Ca 0.00 -0.28 -0.36 0.00 -0.55 0.00 0.00 66.41 65.22 3kic h THR 717 Cb 0.00 -0.06 -0.21 0.00 -1.73 0.00 0.00 68.15 66.14 3kic h THR 717 CO 0.00 0.15 0.07 -0.46 -0.25 0.00 0.00 175.52 175.03 3kic n ASN 718 N -4.63 3.74 -3.09 5.36 0.23 -1.26 -5.00 115.26 110.60 3kic n ASN 718 Ca 0.20 -3.76 -0.07 0.00 -0.53 0.00 0.00 54.58 50.42 3kic n ASN 718 Cb 0.47 -0.68 0.01 0.00 -2.08 0.00 0.00 39.78 37.49 3kic n ASN 718 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kic n GLY 719 N -1.05 -1.19 2.67 4.83 0.00 -0.59 -5.04 105.19 104.82 3kic n GLY 719 Ca 0.44 0.77 -0.23 0.00 0.00 0.00 0.00 46.02 46.99 3kic n GLY 719 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kic s VAL 720 N -2.80 -0.18 0.29 1.61 1.01 -1.26 -4.85 120.40 114.23 3kic s VAL 720 Ca 0.10 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 3kic s VAL 720 Cb -0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.68 3kic s VAL 720 CO 0.78 -0.22 1.27 -0.47 0.00 0.00 0.00 175.10 176.46 3kic s TYR 721 N 2.21 3.19 -0.09 5.22 5.04 -1.26 -3.12 117.35 128.54 3kic s TYR 721 Ca 0.04 1.42 -0.05 0.00 -2.44 0.00 0.00 57.07 56.04 3kic s TYR 721 Cb -0.16 -3.59 0.04 0.00 0.35 0.00 0.00 41.96 38.61 3kic s TYR 721 CO -0.10 -1.64 0.22 -1.54 -1.34 0.00 0.00 175.55 171.16 3kic s SER 722 N -0.36 -0.23 -0.34 4.32 1.04 -0.99 -4.97 113.70 112.17 3kic s SER 722 Ca 0.50 0.47 -0.19 0.00 0.48 0.00 0.00 55.95 57.21 3kic s SER 722 Cb -0.38 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 3kic s SER 722 CO 0.47 -0.16 0.54 -1.61 0.98 0.00 0.00 173.24 173.46 3kic s GLU 723 N 1.21 3.69 0.08 4.02 2.02 -1.26 -3.44 118.70 125.01 3kic s GLU 723 Ca -0.09 -0.05 -0.29 0.00 0.02 0.00 0.00 54.97 54.56 3kic s GLU 723 Cb -0.10 -3.79 -0.17 0.00 0.10 0.00 0.00 34.13 30.16 3kic s GLU 723 CO -0.08 -0.63 1.66 -1.35 0.02 0.00 0.00 175.26 174.88 3kic h PRO 724 N 8.40 -0.50 -4.44 0.39 0.11 -1.97 -3.46 132.00 130.53 3kic h PRO 724 Ca -0.28 0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.66 3kic h PRO 724 Cb 1.12 0.11 -0.17 0.00 0.11 0.00 0.00 31.00 32.17 3kic h PRO 724 CO 0.78 -0.32 -0.70 -0.98 -0.21 0.00 0.00 178.00 176.57 3kic s ARG 725 N -6.05 0.63 0.25 1.05 1.70 -1.26 -5.06 118.95 110.21 3kic s ARG 725 Ca -0.16 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 53.75 3kic s ARG 725 Cb 0.04 -0.09 -0.09 0.00 -0.57 0.00 0.00 34.95 34.24 3kic s ARG 725 CO 0.63 -0.03 1.26 -2.14 -1.08 0.00 0.00 175.30 173.95 3kic s PRO 726 N -2.92 4.43 -0.23 3.89 0.02 -1.26 -5.02 135.00 133.90 3kic s PRO 726 Ca 0.01 2.04 -0.06 0.00 0.02 0.00 0.00 61.00 63.01 3kic s PRO 726 Cb -0.00 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 3kic s PRO 726 CO -0.04 -0.14 0.02 0.42 -0.33 0.00 0.00 177.00 176.93 3kic s ILE 727 N -0.46 3.95 0.00 2.83 -1.09 -1.26 -5.01 121.20 120.16 3kic s ILE 727 Ca 0.52 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 3kic s ILE 727 Cb -0.36 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3kic s ILE 727 CO 0.42 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 175.13 3kic n GLY 728 N 4.77 -1.41 0.00 6.18 0.00 -1.26 -2.53 105.19 110.94 3kic n GLY 728 Ca -0.17 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3kic n GLY 728 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kic n THR 729 N -0.27 0.00 -3.23 2.61 5.66 -1.26 -4.72 114.28 113.08 3kic n THR 729 Ca 0.00 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.55 3kic n THR 729 Cb 0.00 0.40 -0.00 0.00 -1.55 0.00 0.00 70.33 69.18 3kic n THR 729 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3kic s ARG 730 N 0.00 4.08 -0.13 1.09 0.52 -1.26 -4.30 118.95 118.94 3kic s ARG 730 Ca 0.00 -2.92 0.05 0.00 -0.52 0.00 0.00 55.73 52.34 3kic s ARG 730 Cb 0.00 -4.67 -0.11 0.00 0.52 0.00 0.00 34.95 30.69 3kic s ARG 730 CO 0.00 -1.39 -0.07 0.66 0.02 0.00 0.00 175.30 174.53 3kic n TYR 731 N 3.68 0.00 -2.31 -0.53 4.02 -1.25 -4.63 117.16 116.14 3kic n TYR 731 Ca 0.25 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.83 3kic n TYR 731 Cb 0.41 -0.57 -0.02 0.00 -0.02 0.00 0.00 39.34 39.15 3kic n TYR 731 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3kic s LEU 732 N -5.48 3.53 -0.05 7.72 1.43 -1.25 -4.20 118.68 120.37 3kic s LEU 732 Ca -0.15 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.43 3kic s LEU 732 Cb 0.04 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 3kic s LEU 732 CO 0.39 -0.65 -0.24 0.42 0.23 0.00 0.00 176.35 176.50 3kic s THR 733 N -2.78 2.20 0.18 5.49 -4.23 -1.26 -0.53 115.64 114.70 3kic s THR 733 Ca 0.56 -1.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 3kic s THR 733 Cb -0.10 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 3kic s THR 733 CO 0.40 0.57 -0.15 -0.60 -0.54 0.00 0.00 174.62 174.29 3kic s ARG 734 N -0.29 1.27 0.60 3.99 3.52 -0.61 -4.90 118.95 122.51 3kic s ARG 734 Ca 0.01 -1.48 -0.06 0.00 -0.13 0.00 0.00 55.73 54.06 3kic s ARG 734 Cb -0.13 -1.15 0.01 0.00 -1.56 0.00 0.00 34.95 32.12 3kic s ARG 734 CO 0.02 0.21 0.92 -0.80 -0.81 0.00 0.00 175.30 174.84 3kic s ASN 735 N -3.00 5.62 0.00 -2.12 -0.87 -1.26 -0.82 114.94 112.49 3kic s ASN 735 Ca 0.18 0.78 0.28 0.00 -1.57 0.00 0.00 52.86 52.53 3kic s ASN 735 Cb -0.03 -1.77 1.67 0.00 -0.02 0.00 0.00 41.25 41.10 3kic s ASN 735 CO 0.06 -1.06 2.01 0.18 -2.57 0.00 0.00 177.10 175.72