#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n9m n GLU 194 N 0.00 0.40 -1.58 1.64 1.02 -1.26 -4.95 120.64 115.91 3n9m n GLU 194 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 3n9m n GLU 194 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 3n9m n GLU 194 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3n9m n SER 195 N 0.00 6.74 -3.56 1.62 7.64 -1.26 -4.78 113.62 120.02 3n9m n SER 195 Ca 0.00 -3.78 -0.30 0.00 1.01 0.00 0.00 58.87 55.80 3n9m n SER 195 Cb 0.00 -0.76 0.25 0.00 -1.01 0.00 0.00 64.21 62.69 3n9m n SER 195 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3n9m n ASP 196 N -0.84 -2.09 -4.52 6.43 8.00 -1.26 -4.64 116.55 117.63 3n9m n ASP 196 Ca 0.56 -1.18 -0.30 0.00 0.71 0.00 0.00 54.79 54.59 3n9m n ASP 196 Cb 0.76 -1.01 -0.11 0.00 -0.02 0.00 0.00 41.12 40.74 3n9m n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n9m s ARG 197 N -5.51 1.94 -0.11 -1.24 1.70 -1.26 -3.81 118.95 110.67 3n9m s ARG 197 Ca 0.72 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.58 3n9m s ARG 197 Cb -0.07 -2.20 -0.02 0.00 -0.57 0.00 0.00 34.95 32.09 3n9m s ARG 197 CO 0.55 0.50 1.19 0.00 -1.08 0.00 0.00 175.30 176.45 3n9m n GLY 199 N 3.41 -0.66 0.00 0.00 0.00 -0.55 0.28 105.19 107.67 3n9m n GLY 199 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3n9m n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9m n GLY 200 N 0.25 0.77 0.00 -0.02 0.00 -1.26 -4.80 105.19 100.12 3n9m n GLY 200 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3n9m n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9m n GLY 202 N 0.00 2.98 3.43 0.00 0.00 0.14 -4.98 105.19 106.76 3n9m n GLY 202 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3n9m n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n9m s LYS 203 N -0.19 -2.20 0.00 1.61 1.02 -1.26 -4.29 119.74 114.42 3n9m s LYS 203 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.06 3n9m s LYS 203 Cb 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 3n9m s LYS 203 CO 0.00 -4.39 0.00 1.19 -0.92 0.00 0.00 175.35 171.23 3n9m n PHE 204 N -5.27 -0.53 0.37 3.18 3.01 -1.26 -0.85 117.46 116.11 3n9m n PHE 204 Ca 0.13 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.55 3n9m n PHE 204 Cb 0.60 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.08 3n9m n PHE 204 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3n9m n THR 205 N -0.18 1.52 -3.71 4.37 5.66 -1.25 -4.68 114.28 116.02 3n9m n THR 205 Ca 0.00 -0.39 -0.37 0.00 -3.05 0.00 0.00 64.05 60.24 3n9m n THR 205 Cb 0.00 -1.07 -0.11 0.00 -1.55 0.00 0.00 70.33 67.60 3n9m n THR 205 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3n9m s HIS 206 N -0.43 3.54 0.00 1.09 3.76 -1.26 -5.07 115.29 116.93 3n9m s HIS 206 Ca 0.07 -2.27 0.00 0.00 -0.15 0.00 0.00 55.06 52.72 3n9m s HIS 206 Cb 0.06 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.44 3n9m s HIS 206 CO 0.01 -0.98 0.00 0.39 -0.85 0.00 0.00 174.74 173.31 3n9m n GLU 207 N 4.68 0.92 0.00 1.40 4.71 -1.26 -5.15 120.64 125.94 3n9m n GLU 207 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 3n9m n GLU 207 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 3n9m n GLU 207 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3n9m n MET 226 N 0.00 0.00 -3.70 3.49 2.81 -1.26 -5.26 117.12 113.20 3n9m n MET 226 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 3n9m n MET 226 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 3n9m n MET 226 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3n9m s SER 227 N -1.85 -0.15 -0.55 7.83 1.04 -1.26 -0.71 113.70 118.04 3n9m s SER 227 Ca 0.00 -0.35 -0.29 0.00 0.48 0.00 0.00 55.95 55.80 3n9m s SER 227 Cb 0.00 0.43 -0.11 0.00 0.10 0.00 0.00 66.02 66.44 3n9m s SER 227 CO 0.00 -0.78 2.43 1.17 0.98 0.00 0.00 173.24 177.03 3n9m n LYS 228 N -0.03 0.91 -3.83 4.02 4.81 -1.26 -4.91 118.16 117.86 3n9m n LYS 228 Ca -0.16 0.09 -0.12 0.00 -0.87 0.00 0.00 58.31 57.24 3n9m n LYS 228 Cb 0.63 -2.86 -0.13 0.00 0.02 0.00 0.00 35.03 32.68 3n9m n LYS 228 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3n9m s LYS 229 N 7.94 0.13 0.00 1.64 2.20 -1.26 -4.52 119.74 125.86 3n9m s LYS 229 Ca 1.08 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 3n9m s LYS 229 Cb -0.53 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 35.85 3n9m s LYS 229 CO 0.35 -0.02 0.02 1.63 -0.36 0.00 0.00 175.35 176.98 3n9m n LYS 230 N 3.02 0.69 0.16 4.03 5.02 -1.26 -4.87 118.16 124.95 3n9m n LYS 230 Ca -0.12 -0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.17 3n9m n LYS 230 Cb 0.59 -0.21 0.20 0.00 -0.02 0.00 0.00 35.03 35.59 3n9m n LYS 230 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3n9m h SER 231 N 0.00 0.00 0.00 4.39 4.64 -1.91 -3.23 113.55 117.45 3n9m h SER 231 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n9m h SER 231 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3n9m h SER 231 CO 0.00 0.50 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 3n9m n HIS 232 N -3.48 0.00 0.14 4.77 1.44 -1.26 -3.13 115.22 113.69 3n9m n HIS 232 Ca 0.00 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.49 3n9m n HIS 232 Cb 0.62 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.57 3n9m n HIS 232 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3n9m h HIS 233 N 0.00 0.86 -0.83 -1.40 -0.00 -1.94 -3.28 115.15 108.56 3n9m h HIS 233 Ca 0.00 -0.63 -0.53 0.00 -0.00 0.00 0.00 60.37 59.21 3n9m h HIS 233 Cb 0.00 -0.03 -0.25 0.00 -0.00 0.00 0.00 27.41 27.13 3n9m h HIS 233 CO 0.00 1.50 0.68 -2.39 -0.00 0.00 0.00 177.93 177.72 3n9m n HIS 234 N -3.67 2.66 1.83 2.45 1.44 -1.18 -4.04 115.22 114.72 3n9m n HIS 234 Ca -0.15 -2.37 0.05 0.00 -2.01 0.00 0.00 57.72 53.24 3n9m n HIS 234 Cb 1.09 -1.16 0.27 0.00 0.12 0.00 0.00 29.99 30.30 3n9m n HIS 234 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3n9m n LYS 235 N -0.63 1.14 -0.02 -1.40 5.02 -1.24 -2.55 118.16 118.49 3n9m n LYS 235 Ca 0.52 -0.21 0.11 0.00 -2.02 0.00 0.00 58.31 56.72 3n9m n LYS 235 Cb 0.89 -1.17 0.60 0.00 -0.02 0.00 0.00 35.03 35.33 3n9m n LYS 235 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3n9m n LYS 236 N -0.45 1.23 -0.02 1.97 5.02 -1.26 -3.47 118.16 121.18 3n9m n LYS 236 Ca 0.08 -0.34 0.04 0.00 -2.02 0.00 0.00 58.31 56.07 3n9m n LYS 236 Cb 0.08 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3n9m n LYS 236 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3n9m n ASN 237 N -0.49 1.62 -0.08 4.39 5.03 -1.06 -4.62 115.26 120.05 3n9m n ASN 237 Ca 0.17 0.00 0.26 0.00 0.87 0.00 0.00 54.58 55.88 3n9m n ASN 237 Cb 0.16 1.47 0.68 0.00 -1.02 0.00 0.00 39.78 41.06 3n9m n ASN 237 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3n9m h ASP 238 N 0.00 0.00 -1.65 6.41 5.19 -1.73 -1.55 116.42 123.09 3n9m h ASP 238 Ca -0.09 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.77 3n9m h ASP 238 Cb 0.97 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 40.06 3n9m h ASP 238 CO 0.01 0.00 -0.80 0.49 -3.12 0.00 0.00 179.24 175.81 3n9m n PHE 239 N -3.71 3.05 0.12 4.55 3.72 -1.26 -2.74 117.46 121.19 3n9m n PHE 239 Ca 0.16 -3.32 0.01 0.00 -0.05 0.00 0.00 57.45 54.25 3n9m n PHE 239 Cb 0.99 -0.24 0.01 0.00 -0.94 0.00 0.00 39.48 39.30 3n9m n PHE 239 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3n9m n GLN 240 N -0.32 -0.33 -0.91 -1.08 7.27 -0.58 -5.01 117.38 116.42 3n9m n GLN 240 Ca 0.32 -0.65 0.00 0.00 0.07 0.00 0.00 57.00 56.74 3n9m n GLN 240 Cb 0.62 -1.04 0.00 0.00 2.41 0.00 0.00 30.24 32.23 3n9m n GLN 240 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3n9m n TRP 241 N 0.11 -0.89 -4.58 3.69 7.02 0.15 -5.05 117.44 117.89 3n9m n TRP 241 Ca 0.02 0.53 -0.22 0.00 -1.02 0.00 0.00 57.50 56.81 3n9m n TRP 241 Cb 0.07 -2.31 -0.15 0.00 -2.42 0.00 0.00 31.31 26.50 3n9m n TRP 241 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 3n9m s ILE 242 N -0.10 1.08 -0.09 -0.99 1.10 0.59 -4.98 121.20 117.81 3n9m s ILE 242 Ca 0.00 -0.64 -0.02 0.00 -0.51 0.00 0.00 60.65 59.48 3n9m s ILE 242 Cb 0.00 -0.91 -0.03 0.00 0.15 0.00 0.00 42.46 41.66 3n9m s ILE 242 CO 0.00 0.26 0.00 -0.83 -2.11 0.00 0.00 174.94 172.26 3n9m s GLY 243 N -0.44 1.85 0.04 1.50 0.00 -1.26 -0.89 107.32 108.11 3n9m s GLY 243 Ca 0.05 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 3n9m s GLY 243 CO -0.00 -0.54 1.23 0.00 0.00 0.00 0.00 173.10 173.79 3n9m n ASP 245 N 4.29 0.00 0.00 0.00 2.03 0.86 -1.68 116.55 122.06 3n9m n ASP 245 Ca 0.10 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.57 3n9m n ASP 245 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 3n9m n ASP 245 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3n9m n SER 246 N -0.99 0.00 -0.02 1.67 2.88 -1.26 -4.77 113.62 111.13 3n9m n SER 246 Ca 0.19 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.87 3n9m n SER 246 Cb 0.09 -0.22 0.61 0.00 -0.75 0.00 0.00 64.21 63.94 3n9m n SER 246 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3n9m n GLN 248 N -1.37 -1.28 -3.13 0.00 1.13 -0.68 -4.98 117.38 107.08 3n9m n GLN 248 Ca 0.10 0.96 -0.36 0.00 -1.94 0.00 0.00 57.00 55.76 3n9m n GLN 248 Cb 0.31 -5.19 -0.06 0.00 0.11 0.00 0.00 30.24 25.40 3n9m n GLN 248 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3n9m s THR 249 N -2.34 4.60 -0.01 5.09 -4.23 -1.26 -4.76 115.64 112.72 3n9m s THR 249 Ca 0.00 1.24 -0.15 0.00 -1.18 0.00 0.00 61.69 61.60 3n9m s THR 249 Cb 0.00 -3.85 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 3n9m s THR 249 CO 0.00 0.22 0.42 0.26 -0.54 0.00 0.00 174.62 174.98 3n9m s TRP 250 N -1.50 3.70 0.11 3.99 0.52 -1.26 -2.15 118.94 122.35 3n9m s TRP 250 Ca 0.42 0.99 0.09 0.00 0.02 0.00 0.00 56.10 57.62 3n9m s TRP 250 Cb -0.17 -2.33 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 3n9m s TRP 250 CO 0.21 0.58 -0.23 0.71 0.02 0.00 0.00 176.95 178.24 3n9m s TYR 251 N -0.86 2.00 0.01 -1.98 2.02 -0.07 -1.48 117.35 117.00 3n9m s TYR 251 Ca 0.24 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 3n9m s TYR 251 Cb -0.17 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 3n9m s TYR 251 CO 0.13 0.26 1.10 0.45 -1.57 0.00 0.00 175.55 175.92 3n9m h HIS 252 N 4.02 -0.25 0.00 2.71 3.86 -1.88 0.17 115.15 123.78 3n9m h HIS 252 Ca -0.48 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 3n9m h HIS 252 Cb 1.18 0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3n9m h HIS 252 CO 0.61 -0.14 0.00 1.19 0.86 0.00 0.00 177.93 180.45 3n9m n PHE 253 N -2.76 0.00 1.04 2.45 3.01 -1.19 0.31 117.46 120.31 3n9m n PHE 253 Ca -0.03 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.54 3n9m n PHE 253 Cb 0.09 0.00 0.54 0.00 -0.01 0.00 0.00 39.48 40.10 3n9m n PHE 253 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 3n9m n LEU 254 N 0.00 0.00 0.04 4.37 -0.00 -1.11 -1.61 117.00 118.69 3n9m n LEU 254 Ca 0.00 0.24 0.11 0.00 -0.00 0.00 0.00 56.01 56.36 3n9m n LEU 254 Cb 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 43.42 43.16 3n9m n LEU 254 CO 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 177.39 177.17 3n9m n SER 256 N -2.16 0.23 0.00 0.00 3.41 -0.63 -4.54 113.62 109.93 3n9m n SER 256 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3n9m n SER 256 Cb 0.48 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3n9m n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n9m n GLY 257 N 1.49 1.51 3.77 5.00 0.00 -1.25 -4.52 105.19 111.18 3n9m n GLY 257 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3n9m n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n9m s LEU 258 N 0.00 4.31 0.43 0.99 1.02 -1.25 -5.04 118.68 119.14 3n9m s LEU 258 Ca 0.00 2.58 -0.04 0.00 0.02 0.00 0.00 54.13 56.68 3n9m s LEU 258 Cb 0.00 -3.81 -0.04 0.00 0.02 0.00 0.00 46.19 42.36 3n9m s LEU 258 CO 0.00 -0.65 0.72 -1.61 0.02 0.00 0.00 176.35 174.83 3n9m s GLU 259 N -2.03 3.55 0.26 1.70 2.02 -1.26 -4.69 118.70 118.26 3n9m s GLU 259 Ca 0.53 0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.58 3n9m s GLU 259 Cb -0.37 -2.46 0.54 0.00 0.10 0.00 0.00 34.13 31.95 3n9m s GLU 259 CO 0.48 -0.09 1.67 0.37 0.02 0.00 0.00 175.26 177.71 3n9m h GLN 260 N 0.52 0.23 0.00 1.61 4.15 -1.97 -0.94 115.11 118.70 3n9m h GLN 260 Ca -0.48 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3n9m h GLN 260 Cb 1.21 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3n9m h GLN 260 CO 0.62 0.15 0.00 0.27 -1.93 0.00 0.00 178.83 177.94 3n9m h PHE 261 N 0.23 0.00 -0.03 3.99 -5.15 -1.88 -2.37 116.94 111.74 3n9m h PHE 261 Ca 0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.23 3n9m h PHE 261 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.01 3n9m h PHE 261 CO -0.28 0.00 -0.03 -0.85 -2.00 0.00 0.00 178.31 175.15 3n9m n GLU 262 N -2.50 1.85 -0.34 6.09 0.28 -0.36 -4.52 120.64 121.14 3n9m n GLU 262 Ca 0.00 -1.68 0.22 0.00 -0.16 0.00 0.00 57.16 55.54 3n9m n GLU 262 Cb 0.17 -1.40 0.46 0.00 1.43 0.00 0.00 31.44 32.10 3n9m n GLU 262 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 3n9m h TYR 263 N 3.95 0.86 -0.08 -1.84 0.05 -1.43 -1.46 116.97 117.01 3n9m h TYR 263 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3n9m h TYR 263 Cb 0.85 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.35 3n9m h TYR 263 CO 0.00 -0.00 0.00 2.48 -1.05 0.00 0.00 178.16 179.59 3n9m n TYR 264 N -4.83 0.08 0.03 4.88 0.18 -1.26 -4.62 117.16 111.62 3n9m n TYR 264 Ca 0.28 -0.05 -0.19 0.00 1.88 0.00 0.00 57.90 59.82 3n9m n TYR 264 Cb 0.88 -0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.71 3n9m n TYR 264 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3n9m h LEU 265 N 3.89 0.56 -9.23 -3.48 3.38 -1.53 -3.47 115.31 105.43 3n9m h LEU 265 Ca 0.00 -0.85 -0.59 0.00 0.09 0.00 0.00 57.88 56.53 3n9m h LEU 265 Cb 0.84 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 3n9m h LEU 265 CO 0.00 1.35 -0.29 -0.31 0.09 0.00 0.00 178.44 179.27 3n9m s TYR 266 N -2.87 3.42 0.05 1.13 2.02 -1.26 -1.87 117.35 117.99 3n9m s TYR 266 Ca -0.13 0.59 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 3n9m s TYR 266 Cb 0.03 -2.41 -0.25 0.00 -0.40 0.00 0.00 41.96 38.93 3n9m s TYR 266 CO 0.84 0.14 1.05 1.49 -1.57 0.00 0.00 175.55 177.50 3n9m h GLU 267 N 6.98 0.14 -4.73 -0.62 4.81 -1.20 -3.42 114.58 116.54 3n9m h GLU 267 Ca -0.39 -0.25 -0.67 0.00 -0.13 0.00 0.00 59.36 57.92 3n9m h GLU 267 Cb 1.16 0.09 -0.38 0.00 0.63 0.00 0.00 28.75 30.25 3n9m h GLU 267 CO 0.74 1.03 -0.73 0.15 -0.73 0.00 0.00 179.01 179.47 3n9m s LYS 268 N -2.66 1.80 -0.13 1.92 1.02 -0.72 -5.02 119.74 115.95 3n9m s LYS 268 Ca -0.04 -1.69 -0.20 0.00 0.02 0.00 0.00 55.97 54.06 3n9m s LYS 268 Cb 0.08 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 3n9m s LYS 268 CO 0.85 -0.83 0.58 0.12 -0.92 0.00 0.00 175.35 175.15 3n9m s PHE 269 N 1.00 3.48 -0.19 3.18 2.19 -1.26 -1.57 117.98 124.81 3n9m s PHE 269 Ca 0.04 0.98 -0.02 0.00 0.33 0.00 0.00 56.93 58.27 3n9m s PHE 269 Cb -0.20 -2.69 -0.00 0.00 -1.31 0.00 0.00 43.02 38.83 3n9m s PHE 269 CO -0.06 0.04 -0.11 -0.06 1.83 0.00 0.00 175.22 176.86 3n9m s PHE 270 N 1.07 2.87 0.80 10.12 2.99 -1.26 -0.10 117.98 134.47 3n9m s PHE 270 Ca 0.29 -1.12 -0.12 0.00 0.00 0.00 0.00 56.93 55.99 3n9m s PHE 270 Cb -0.16 -2.00 0.07 0.00 0.00 0.00 0.00 43.02 40.93 3n9m s PHE 270 CO 0.12 -0.58 1.10 0.00 -0.00 0.00 0.00 175.22 175.87 3n9m h PRO 272 N -1.09 0.34 0.00 0.00 0.11 -2.00 -0.60 132.00 128.76 3n9m h PRO 272 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3n9m h PRO 272 Cb 1.28 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3n9m h PRO 272 CO 0.60 0.22 -0.08 0.87 -0.21 0.00 0.00 178.00 179.40 3n9m h LYS 273 N 0.35 0.00 0.00 1.05 6.56 -1.97 -3.30 116.57 119.26 3n9m h LYS 273 Ca 0.60 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.17 3n9m h LYS 273 Cb 1.61 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.27 3n9m h LYS 273 CO -0.28 0.08 -1.55 0.00 -2.06 0.00 0.00 179.45 175.64 3n9m h VAL 275 N 0.00 0.74 -0.97 0.00 2.07 -1.53 0.34 116.25 116.90 3n9m h VAL 275 Ca -0.03 -0.17 0.28 0.00 0.82 0.00 0.00 66.70 67.60 3n9m h VAL 275 Cb 0.64 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3n9m h VAL 275 CO 0.00 0.09 0.86 -0.65 0.02 0.00 0.00 177.57 177.90 3n9m h PRO 276 N 0.51 0.00 0.00 1.57 0.11 -1.83 0.41 132.00 132.77 3n9m h PRO 276 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3n9m h PRO 276 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3n9m h PRO 276 CO -0.34 0.00 -0.39 -2.39 -0.21 0.00 0.00 178.00 174.67 3n9m n HIS 277 N -3.78 0.00 -0.03 0.65 1.44 -0.74 -4.74 115.22 108.01 3n9m n HIS 277 Ca 0.21 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.93 3n9m n HIS 277 Cb 1.18 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 31.15 3n9m n HIS 277 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 3n9m n THR 278 N -1.09 0.77 -0.55 0.61 5.66 0.03 -5.10 114.28 114.61 3n9m n THR 278 Ca 0.00 -0.68 0.00 0.00 -3.05 0.00 0.00 64.05 60.32 3n9m n THR 278 Cb 0.00 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 3n9m n THR 278 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3n9m n GLY 279 N 1.47 -1.77 3.85 1.09 0.00 0.08 -4.98 105.19 104.94 3n9m n GLY 279 Ca -0.16 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 3n9m n GLY 279 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n9m s HIS 280 N 0.00 3.66 0.25 1.61 0.09 -1.26 -4.42 115.29 115.22 3n9m s HIS 280 Ca 0.00 0.85 -0.27 0.00 -0.00 0.00 0.00 55.06 55.64 3n9m s HIS 280 Cb 0.00 -2.19 -0.16 0.00 -0.00 0.00 0.00 32.58 30.23 3n9m s HIS 280 CO 0.00 0.62 0.56 0.43 -0.00 0.00 0.00 174.74 176.35 3n9m n SER 281 N 1.55 -0.97 -4.65 1.40 7.64 -1.26 -4.91 113.62 112.42 3n9m n SER 281 Ca -0.13 1.09 -0.38 0.00 1.01 0.00 0.00 58.87 60.46 3n9m n SER 281 Cb 0.53 -1.01 -0.08 0.00 -1.01 0.00 0.00 64.21 62.63 3n9m n SER 281 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3n9m s ILE 282 N -1.12 5.24 0.53 0.44 1.09 -0.61 -4.99 121.20 121.78 3n9m s ILE 282 Ca 0.62 0.52 -0.07 0.00 -1.10 0.00 0.00 60.65 60.62 3n9m s ILE 282 Cb -0.83 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 36.87 3n9m s ILE 282 CO 0.58 0.25 0.87 0.00 -0.10 0.00 0.00 174.94 176.54 3n9m s ARG 283 N 1.43 3.57 0.53 2.79 1.70 -1.26 -0.77 118.95 126.94 3n9m s ARG 283 Ca 0.15 0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 55.60 3n9m s ARG 283 Cb -0.15 -2.27 -0.07 0.00 -0.57 0.00 0.00 34.95 31.90 3n9m s ARG 283 CO 0.08 -0.33 1.15 0.66 -1.08 0.00 0.00 175.30 175.77 3n9m n TYR 284 N -2.41 1.57 -2.03 5.89 4.01 -0.78 -4.58 117.16 118.83 3n9m n TYR 284 Ca 0.03 0.46 -0.41 0.00 -0.16 0.00 0.00 57.90 57.82 3n9m n TYR 284 Cb 0.55 -2.26 -0.02 0.00 -0.31 0.00 0.00 39.34 37.29 3n9m n TYR 284 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3n9m s LYS 285 N -2.59 4.28 -1.06 -0.72 1.02 -1.26 -4.90 119.74 114.51 3n9m s LYS 285 Ca 0.70 2.30 -0.23 0.00 0.02 0.00 0.00 55.97 58.77 3n9m s LYS 285 Cb -0.45 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3n9m s LYS 285 CO 0.51 -0.35 1.75 0.08 -0.92 0.00 0.00 175.35 176.42 3n9m s VAL 286 N -0.54 3.73 -0.01 3.17 1.01 -1.26 -4.53 120.40 121.97 3n9m s VAL 286 Ca 0.55 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 3n9m s VAL 286 Cb -0.42 -4.65 -0.28 0.00 0.00 0.00 0.00 36.38 31.03 3n9m s VAL 286 CO 0.49 -1.46 1.00 0.58 0.00 0.00 0.00 175.10 175.71 3n9m h VAL 287 N 6.62 1.45 -3.12 2.92 2.07 -1.30 -3.41 116.25 121.49 3n9m h VAL 287 Ca 0.21 -2.35 -0.62 0.00 0.82 0.00 0.00 66.70 64.76 3n9m h VAL 287 Cb 0.97 2.91 -0.41 0.00 -1.52 0.00 0.00 31.29 33.24 3n9m h VAL 287 CO 1.33 0.68 -0.69 0.00 0.02 0.00 0.00 177.57 178.91 3n9m s ALA 288 N -2.80 2.76 0.11 1.67 0.00 -0.72 -4.93 121.76 117.85 3n9m s ALA 288 Ca -0.13 -3.00 0.31 0.00 0.00 0.00 0.00 51.96 49.14 3n9m s ALA 288 Cb 0.02 -2.01 1.63 0.00 0.00 0.00 0.00 23.12 22.77 3n9m s ALA 288 CO 0.84 -2.05 1.95 -1.35 0.00 0.00 0.00 175.76 175.15 3n9m h PRO 289 N 6.42 0.00 -0.47 0.00 0.11 -1.81 -2.15 132.00 134.10 3n9m h PRO 289 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3n9m h PRO 289 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3n9m h PRO 289 CO 0.59 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.99 3n9m n HIS 290 N -2.62 0.62 -4.43 0.65 1.44 -1.26 -2.57 115.22 107.05 3n9m n HIS 290 Ca -0.02 -0.31 -0.24 0.00 -2.01 0.00 0.00 57.72 55.15 3n9m n HIS 290 Cb 0.09 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.06 3n9m n HIS 290 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3n9m s ARG 291 N -1.38 1.18 0.36 -1.40 1.81 -0.81 -0.96 118.95 117.76 3n9m s ARG 291 Ca 0.39 -1.00 0.05 0.00 -1.72 0.00 0.00 55.73 53.45 3n9m s ARG 291 Cb 0.21 -1.33 0.72 0.00 -0.45 0.00 0.00 34.95 34.10 3n9m s ARG 291 CO 0.29 0.33 1.95 1.88 -0.68 0.00 0.00 175.30 179.07 3n9m h TYR 292 N 4.54 0.79 -1.96 -0.53 0.99 -1.86 -2.63 116.97 116.30 3n9m h TYR 292 Ca -0.43 0.02 -0.77 0.00 2.00 0.00 0.00 58.73 59.55 3n9m h TYR 292 Cb 1.17 -0.26 -0.19 0.00 1.00 0.00 0.00 36.73 38.45 3n9m h TYR 292 CO 0.56 0.42 1.56 0.54 -0.00 0.00 0.00 178.16 181.24 3n9m n ARG 293 N -4.48 3.76 0.00 4.88 1.74 -1.26 -4.42 116.66 116.88 3n9m n ARG 293 Ca 0.11 -3.85 0.04 0.00 -0.77 0.00 0.00 57.85 53.37 3n9m n ARG 293 Cb 0.22 -2.84 0.19 0.00 -1.02 0.00 0.00 32.46 29.01 3n9m n ARG 293 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3n9m n TRP 294 N 3.57 0.00 -0.06 -1.55 4.27 -0.99 -2.12 117.44 120.55 3n9m n TRP 294 Ca 0.35 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.92 3n9m n TRP 294 Cb 0.37 -0.30 -0.15 0.00 -1.36 0.00 0.00 31.31 29.86 3n9m n TRP 294 CO 0.00 0.00 0.00 2.48 -2.29 0.00 0.00 177.69 177.88 3n9m n TYR 295 N -1.30 0.18 -2.59 -2.67 0.18 -1.26 -0.95 117.16 108.75 3n9m n TYR 295 Ca 0.03 0.06 -0.43 0.00 1.88 0.00 0.00 57.90 59.45 3n9m n TYR 295 Cb 0.06 -0.93 -0.02 0.00 -0.38 0.00 0.00 39.34 38.07 3n9m n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3n9m s SER 296 N -5.39 7.03 0.49 9.48 0.15 -0.90 -4.60 113.70 119.96 3n9m s SER 296 Ca -0.08 1.43 0.29 0.00 0.70 0.00 0.00 55.95 58.28 3n9m s SER 296 Cb 0.08 -2.54 1.07 0.00 -1.71 0.00 0.00 66.02 62.92 3n9m s SER 296 CO 0.84 -0.73 1.88 -0.65 1.20 0.00 0.00 173.24 175.78 3n9m h PRO 297 N 7.78 0.00 0.00 5.44 0.11 -1.92 -3.01 132.00 140.40 3n9m h PRO 297 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3n9m h PRO 297 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3n9m h PRO 297 CO 0.98 0.10 0.00 0.09 -0.21 0.00 0.00 178.00 178.96 3n9m n ASN 298 N -3.21 0.00 -0.27 -2.05 4.13 -1.26 -2.07 115.26 110.53 3n9m n ASN 298 Ca 0.01 -0.08 0.03 0.00 1.68 0.00 0.00 54.58 56.22 3n9m n ASN 298 Cb 0.38 -0.24 0.04 0.00 -1.54 0.00 0.00 39.78 38.42 3n9m n ASN 298 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3n9m n GLU 299 N -1.24 0.54 0.17 3.52 1.02 -1.14 -4.70 120.64 118.82 3n9m n GLU 299 Ca 0.10 -1.08 0.18 0.00 -0.02 0.00 0.00 57.16 56.35 3n9m n GLU 299 Cb 0.14 -1.13 0.80 0.00 -0.02 0.00 0.00 31.44 31.24 3n9m n GLU 299 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3n9m h LYS 300 N 1.20 0.00 0.00 3.49 3.64 -1.51 -1.22 116.57 122.16 3n9m h LYS 300 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3n9m h LYS 300 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3n9m h LYS 300 CO 0.00 0.00 -1.51 -2.39 -2.27 0.00 0.00 179.45 173.28 3n9m n HIS 301 N -3.70 0.01 -0.94 1.91 1.44 -1.26 -4.98 115.22 107.70 3n9m n HIS 301 Ca 0.04 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.46 3n9m n HIS 301 Cb 0.44 -0.28 0.22 0.00 0.12 0.00 0.00 29.99 30.50 3n9m n HIS 301 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3n9m s LEU 302 N -3.82 1.00 0.64 2.39 1.43 -0.46 -5.00 118.68 114.85 3n9m s LEU 302 Ca -0.00 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.09 3n9m s LEU 302 Cb 0.15 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 3n9m s LEU 302 CO 0.89 -3.78 1.07 -0.83 0.23 0.00 0.00 176.35 173.93 3n9m s GLY 303 N -3.27 1.99 -0.14 -3.19 0.00 -1.26 -4.97 107.32 96.49 3n9m s GLY 303 Ca 0.67 0.34 -0.29 0.00 0.00 0.00 0.00 44.72 45.44 3n9m s GLY 303 CO 0.59 0.66 1.63 -0.42 0.00 0.00 0.00 173.10 175.56 3n9m s ILE 304 N -2.60 3.66 0.18 0.90 1.01 -1.26 -4.77 121.20 118.31 3n9m s ILE 304 Ca 0.63 0.77 -0.17 0.00 0.00 0.00 0.00 60.65 61.88 3n9m s ILE 304 Cb -0.16 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 3n9m s ILE 304 CO 0.43 -0.17 0.63 -1.61 0.00 0.00 0.00 174.94 174.22 3n9m s GLU 305 N 4.36 4.10 0.56 2.79 2.02 -0.13 -4.46 118.70 127.94 3n9m s GLU 305 Ca 0.72 0.66 0.27 0.00 0.02 0.00 0.00 54.97 56.64 3n9m s GLU 305 Cb -0.29 -2.91 1.49 0.00 0.10 0.00 0.00 34.13 32.52 3n9m s GLU 305 CO 0.29 0.44 2.01 0.28 0.02 0.00 0.00 175.26 178.30 3n9m h VAL 306 N 2.78 0.58 0.00 2.63 2.07 -0.63 -1.93 116.25 121.76 3n9m h VAL 306 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3n9m h VAL 306 Cb 1.19 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3n9m h VAL 306 CO 0.65 0.00 -1.25 0.61 0.02 0.00 0.00 177.57 177.61 3n9m n GLY 307 N -1.54 -1.28 3.49 2.17 0.00 -1.26 -4.72 105.19 102.05 3n9m n GLY 307 Ca 0.07 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3n9m n GLY 307 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3n9m n SER 308 N -2.35 -1.47 -0.07 1.61 3.41 -0.72 -4.51 113.62 109.52 3n9m n SER 308 Ca -0.00 -0.06 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 3n9m n SER 308 Cb 0.52 -1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 3n9m n SER 308 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3n9m h LYS 309 N -2.51 0.36 -0.20 4.33 3.64 -1.79 -1.88 116.57 118.53 3n9m h LYS 309 Ca -0.58 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 58.78 3n9m h LYS 309 Cb 1.32 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 3n9m h LYS 309 CO 0.47 0.38 -0.03 1.15 -2.27 0.00 0.00 179.45 179.14 3n9m h THR 310 N 0.26 0.82 -0.98 1.00 2.02 -1.88 -0.72 112.91 113.44 3n9m h THR 310 Ca 0.08 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3n9m h THR 310 Cb 0.14 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3n9m h THR 310 CO -0.01 0.00 0.64 -0.25 0.37 0.00 0.00 175.52 176.28 3n9m h TRP 311 N 0.02 1.21 -0.16 3.16 7.01 -1.77 -2.20 115.95 123.23 3n9m h TRP 311 Ca 0.09 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.98 3n9m h TRP 311 Cb 0.13 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 3n9m h TRP 311 CO -0.20 0.73 -0.46 0.82 -2.79 0.00 0.00 178.44 176.54 3n9m h ILE 312 N 1.28 1.34 -0.31 2.65 2.04 -0.85 -0.19 117.51 123.46 3n9m h ILE 312 Ca 0.38 -1.72 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 3n9m h ILE 312 Cb -0.07 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3n9m h ILE 312 CO -0.10 0.53 -0.05 -0.33 0.00 0.00 0.00 178.15 178.19 3n9m h GLU 313 N 0.24 0.50 -0.06 2.37 5.08 -1.01 -0.23 114.58 121.47 3n9m h GLU 313 Ca -0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3n9m h GLU 313 Cb 1.08 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3n9m h GLU 313 CO 0.10 0.57 -0.04 0.22 -1.00 0.00 0.00 179.01 178.85 3n9m h ASP 314 N 0.47 0.13 -0.83 1.42 -0.00 -1.38 -3.26 116.42 112.98 3n9m h ASP 314 Ca 0.10 -0.45 0.11 0.00 -0.00 0.00 0.00 57.03 56.79 3n9m h ASP 314 Cb 0.39 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.33 39.62 3n9m h ASP 314 CO 0.02 0.56 0.54 0.15 -0.00 0.00 0.00 179.24 180.50 3n9m h PHE 315 N -0.29 0.79 0.00 0.28 3.04 -0.37 0.15 116.94 120.55 3n9m h PHE 315 Ca 0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 3n9m h PHE 315 Cb 0.51 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 3n9m h PHE 315 CO 0.08 0.35 -0.02 0.82 -2.02 0.00 0.00 178.31 177.52 3n9m h ILE 316 N 0.72 0.50 -0.00 1.41 2.04 -1.10 0.21 117.51 121.29 3n9m h ILE 316 Ca 0.39 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.17 3n9m h ILE 316 Cb 0.53 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3n9m h ILE 316 CO -0.16 0.02 -0.37 0.35 0.00 0.00 0.00 178.15 177.99 3n9m n THR 317 N -3.76 0.00 0.00 -0.27 -2.24 0.04 -4.28 114.28 103.77 3n9m n THR 317 Ca -0.03 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3n9m n THR 317 Cb 0.10 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3n9m n THR 317 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3n9m n ARG 318 N -1.38 3.06 -0.35 -0.78 1.85 -0.76 -4.84 116.66 113.46 3n9m n ARG 318 Ca 0.07 0.00 0.23 0.00 -1.00 0.00 0.00 57.85 57.15 3n9m n ARG 318 Cb 0.33 -0.63 0.48 0.00 -1.05 0.00 0.00 32.46 31.60 3n9m n ARG 318 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 3n9m h GLU 319 N 0.00 0.40 0.00 2.89 -0.00 -0.80 -0.71 114.58 116.36 3n9m h GLU 319 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3n9m h GLU 319 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.66 3n9m h GLU 319 CO 0.00 0.26 0.00 0.27 -0.00 0.00 0.00 179.01 179.54 3n9m n ASN 320 N -4.79 0.00 -0.58 3.06 0.23 -1.26 -1.49 115.26 110.43 3n9m n ASN 320 Ca 0.28 -0.42 0.12 0.00 -0.53 0.00 0.00 54.58 54.03 3n9m n ASN 320 Cb 0.91 -0.03 0.42 0.00 -2.08 0.00 0.00 39.78 39.00 3n9m n ASN 320 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3n9m n THR 321 N -1.03 0.12 -2.58 5.53 -2.24 -0.27 -4.85 114.28 108.95 3n9m n THR 321 Ca 0.11 -0.34 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 3n9m n THR 321 Cb 0.06 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 3n9m n THR 321 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3n9m s VAL 322 N -1.88 4.27 0.64 2.28 1.01 -0.56 -4.99 120.40 121.18 3n9m s VAL 322 Ca 0.35 1.78 -0.18 0.00 0.00 0.00 0.00 61.98 63.93 3n9m s VAL 322 Cb 0.20 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3n9m s VAL 322 CO 0.30 0.22 1.29 -2.84 0.00 0.00 0.00 175.10 174.07 3n9m s PRO 323 N 0.37 2.60 0.74 2.72 0.02 -1.26 -4.38 135.00 135.81 3n9m s PRO 323 Ca 0.52 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.48 3n9m s PRO 323 Cb -0.26 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.44 3n9m s PRO 323 CO 0.31 -1.55 1.08 -1.12 -0.33 0.00 0.00 177.00 175.39 3n9m s SER 324 N -1.40 4.78 0.56 2.53 0.01 -1.26 -0.17 113.70 118.75 3n9m s SER 324 Ca 0.82 1.78 -0.11 0.00 1.31 0.00 0.00 55.95 59.75 3n9m s SER 324 Cb -0.37 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.30 3n9m s SER 324 CO 0.39 -1.85 0.95 -2.84 0.41 0.00 0.00 173.24 170.31 3n9m s PRO 325 N -4.88 3.67 0.62 12.44 0.02 -1.26 -4.75 135.00 140.85 3n9m s PRO 325 Ca 0.61 0.66 -0.12 0.00 0.02 0.00 0.00 61.00 62.16 3n9m s PRO 325 Cb -0.16 -2.17 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 3n9m s PRO 325 CO 0.55 -0.40 1.03 0.95 -0.33 0.00 0.00 177.00 178.79 3n9m s THR 326 N -2.93 4.55 -1.01 0.99 -4.23 -1.26 -4.88 115.64 106.87 3n9m s THR 326 Ca 0.54 0.89 0.10 0.00 -1.18 0.00 0.00 61.69 62.04 3n9m s THR 326 Cb -0.11 -3.76 0.08 0.00 1.34 0.00 0.00 72.50 70.06 3n9m s THR 326 CO 0.46 -1.02 1.31 0.47 -0.54 0.00 0.00 174.62 175.30 3n9m n ASP 327 N -2.62 0.00 0.12 3.99 8.00 -1.26 -0.66 116.55 124.12 3n9m n ASP 327 Ca 0.06 0.49 0.12 0.00 0.71 0.00 0.00 54.79 56.18 3n9m n ASP 327 Cb 0.54 -0.49 0.16 0.00 -0.02 0.00 0.00 41.12 41.31 3n9m n ASP 327 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3n9m h ASP 328 N 0.00 0.00 0.05 -2.24 3.32 -2.00 -3.37 116.42 112.18 3n9m h ASP 328 Ca 0.00 -0.07 -0.36 0.00 0.02 0.00 0.00 57.03 56.62 3n9m h ASP 328 Cb 0.16 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3n9m h ASP 328 CO 0.00 0.03 -2.04 -0.62 -1.72 0.00 0.00 179.24 174.89 3n9m n GLU 329 N -2.53 0.67 -3.89 3.56 1.02 0.17 -4.75 120.64 114.89 3n9m n GLU 329 Ca 0.03 0.30 -0.14 0.00 -0.02 0.00 0.00 57.16 57.33 3n9m n GLU 329 Cb 0.49 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 3n9m n GLU 329 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3n9m s VAL 330 N -2.50 0.06 -0.19 2.62 0.11 -0.96 -1.66 120.40 117.88 3n9m s VAL 330 Ca -0.29 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 3n9m s VAL 330 Cb 0.08 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.81 3n9m s VAL 330 CO 0.66 0.05 0.00 0.00 -3.33 0.00 0.00 175.10 172.47 3n9m s ILE 332 N 0.76 4.39 0.22 0.00 1.01 -1.26 -1.00 121.20 125.33 3n9m s ILE 332 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.58 3n9m s ILE 332 Cb -0.14 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 3n9m s ILE 332 CO 0.02 0.42 -0.16 0.68 0.00 0.00 0.00 174.94 175.90 3n9m s VAL 333 N 0.88 1.89 0.13 2.92 -7.23 -0.50 -4.98 120.40 113.51 3n9m s VAL 333 Ca 0.03 -2.25 -0.05 0.00 -1.81 0.00 0.00 61.98 57.89 3n9m s VAL 333 Cb -0.14 -2.10 -0.18 0.00 0.56 0.00 0.00 36.38 34.52 3n9m s VAL 333 CO 0.02 -0.55 1.30 -0.33 -0.31 0.00 0.00 175.10 175.23 3n9m h GLU 334 N 2.50 0.44 -3.41 4.82 4.39 -1.94 -0.86 114.58 120.52 3n9m h GLU 334 Ca -0.38 -0.46 -0.11 0.00 0.34 0.00 0.00 59.36 58.74 3n9m h GLU 334 Cb 1.23 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 3n9m h GLU 334 CO 0.62 1.12 0.10 0.16 -1.16 0.00 0.00 179.01 179.85 3n9m s ASP 335 N -7.09 0.33 0.63 1.42 3.84 -1.26 -1.08 116.67 113.46 3n9m s ASP 335 Ca -0.06 -1.26 0.34 0.00 -0.00 0.00 0.00 52.55 51.57 3n9m s ASP 335 Cb 0.09 0.78 1.90 0.00 -1.38 0.00 0.00 42.92 44.31 3n9m s ASP 335 CO 0.87 -1.54 2.15 1.23 -0.00 0.00 0.00 175.17 177.88 3n9m h GLY 336 N 2.04 0.00 1.28 2.12 0.00 -0.43 -1.12 103.07 106.95 3n9m h GLY 336 Ca -0.30 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.76 3n9m h GLY 336 CO 0.39 0.00 -1.07 -0.97 0.00 0.00 0.00 176.54 174.90 3n9m h TYR 337 N 0.00 0.96 0.00 5.60 0.05 -1.80 -2.13 116.97 119.65 3n9m h TYR 337 Ca 0.04 -0.54 -0.15 0.00 0.05 0.00 0.00 58.73 58.13 3n9m h TYR 337 Cb 0.35 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3n9m h TYR 337 CO 0.00 1.38 -0.71 0.93 -1.05 0.00 0.00 178.16 178.70 3n9m h GLU 338 N 0.34 0.00 0.65 4.88 5.08 -1.61 -2.74 114.58 121.18 3n9m h GLU 338 Ca -0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3n9m h GLU 338 Cb 1.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.98 3n9m h GLU 338 CO 0.20 0.71 -0.31 0.35 -1.00 0.00 0.00 179.01 178.96 3n9m h PHE 339 N 0.00 -0.81 -0.58 4.33 3.57 -1.22 -1.77 116.94 120.45 3n9m h PHE 339 Ca -0.01 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3n9m h PHE 339 Cb 1.31 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 3n9m h PHE 339 CO 0.00 -0.47 0.39 -0.09 -2.23 0.00 0.00 178.31 175.91 3n9m h ARG 340 N -1.03 0.40 -0.10 1.11 2.43 -1.42 0.44 114.38 116.20 3n9m h ARG 340 Ca -0.09 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 3n9m h ARG 340 Cb 0.71 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3n9m h ARG 340 CO 0.15 0.26 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.63 3n9m h ARG 341 N 0.41 0.29 -0.12 0.20 2.43 -1.40 -1.75 114.38 114.43 3n9m h ARG 341 Ca 0.27 -0.17 -0.19 0.00 -0.81 0.00 0.00 59.98 59.08 3n9m h ARG 341 Cb 0.50 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3n9m h ARG 341 CO -0.07 0.74 -0.70 0.93 -1.51 0.00 0.00 179.97 179.36 3n9m h GLU 342 N -0.14 0.54 0.54 0.20 4.39 -0.73 -0.83 114.58 118.55 3n9m h GLU 342 Ca 0.01 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 3n9m h GLU 342 Cb 0.71 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 3n9m h GLU 342 CO 0.04 1.04 -0.46 0.35 -1.16 0.00 0.00 179.01 178.82 3n9m h PHE 343 N 0.38 -1.25 -0.85 4.33 3.04 -0.16 -0.13 116.94 122.30 3n9m h PHE 343 Ca -0.03 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.07 3n9m h PHE 343 Cb 1.28 0.48 -0.09 0.00 2.56 0.00 0.00 35.95 40.17 3n9m h PHE 343 CO 0.05 -0.63 0.44 0.93 -2.02 0.00 0.00 178.31 177.08 3n9m h GLU 344 N -0.97 0.61 -0.28 1.11 3.07 -1.37 -0.92 114.58 115.82 3n9m h GLU 344 Ca -0.07 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3n9m h GLU 344 Cb 0.82 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3n9m h GLU 344 CO -0.01 0.40 0.18 -0.22 -1.40 0.00 0.00 179.01 177.97 3n9m h LYS 345 N 0.63 0.38 0.00 2.33 3.64 -0.53 -0.93 116.57 122.09 3n9m h LYS 345 Ca 0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3n9m h LYS 345 Cb 0.64 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3n9m h LYS 345 CO -0.36 0.25 -0.39 1.28 -2.27 0.00 0.00 179.45 177.96 3n9m n LEU 346 N -4.49 0.42 0.00 5.20 4.77 -0.12 -4.90 117.00 117.88 3n9m n LEU 346 Ca 0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3n9m n LEU 346 Cb 0.07 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3n9m n LEU 346 CO 0.35 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3n9m n GLY 347 N 1.47 0.48 7.00 -0.72 0.00 -0.35 -4.87 105.19 108.20 3n9m n GLY 347 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3n9m n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9m n GLY 348 N 0.00 -1.28 0.24 -0.02 0.00 -0.44 -3.77 105.19 99.92 3n9m n GLY 348 Ca 0.00 -1.23 0.09 0.00 0.00 0.00 0.00 46.02 44.88 3n9m n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9m h ALA 349 N -0.30 1.32 0.00 4.61 0.00 -1.97 -1.88 119.26 121.04 3n9m h ALA 349 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3n9m h ALA 349 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3n9m h ALA 349 CO 0.00 0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 3n9m n ASP 350 N -3.79 0.47 -0.12 0.00 8.00 -1.26 -2.79 116.55 117.07 3n9m n ASP 350 Ca -0.02 0.60 0.05 0.00 0.71 0.00 0.00 54.79 56.13 3n9m n ASP 350 Cb 0.30 -0.71 0.07 0.00 -0.02 0.00 0.00 41.12 40.76 3n9m n ASP 350 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3n9m n ASN 351 N -2.00 1.64 -4.63 -2.24 4.13 -0.76 -4.80 115.26 106.60 3n9m n ASN 351 Ca 0.03 -2.44 -0.43 0.00 1.68 0.00 0.00 54.58 53.42 3n9m n ASN 351 Cb 0.25 -0.25 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 3n9m n ASN 351 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3n9m s TRP 352 N -1.65 2.37 0.00 3.10 -0.00 -0.90 -4.78 118.94 117.08 3n9m s TRP 352 Ca 0.16 0.68 0.00 0.00 -0.00 0.00 0.00 56.10 56.94 3n9m s TRP 352 Cb 0.14 -3.91 0.00 0.00 -0.00 0.00 0.00 33.47 29.70 3n9m s TRP 352 CO 0.01 -2.44 0.00 0.41 -0.00 0.00 0.00 176.95 174.94 3n9m n GLY 353 N 4.42 0.28 3.71 5.86 0.00 -1.26 -4.78 105.19 113.42 3n9m n GLY 353 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3n9m n GLY 353 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n9m s LYS 354 N -0.25 2.52 0.04 1.61 -2.85 -1.26 -4.89 119.74 114.66 3n9m s LYS 354 Ca 0.00 -1.29 -0.20 0.00 -1.00 0.00 0.00 55.97 53.48 3n9m s LYS 354 Cb 0.00 -2.31 -0.06 0.00 -2.06 0.00 0.00 37.83 33.40 3n9m s LYS 354 CO 0.00 0.38 0.58 0.54 0.10 0.00 0.00 175.35 176.94 3n9m s VAL 355 N -2.26 4.81 -0.08 1.79 0.11 -0.66 -4.49 120.40 119.62 3n9m s VAL 355 Ca 0.32 1.22 0.01 0.00 -2.93 0.00 0.00 61.98 60.61 3n9m s VAL 355 Cb -0.07 -3.91 -0.02 0.00 -1.53 0.00 0.00 36.38 30.85 3n9m s VAL 355 CO 0.22 0.50 -0.12 -0.36 -3.33 0.00 0.00 175.10 172.01 3n9m s PHE 356 N -0.72 2.81 -0.11 1.54 0.08 -0.56 -0.93 117.98 120.09 3n9m s PHE 356 Ca 0.30 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 3n9m s PHE 356 Cb -0.19 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 3n9m s PHE 356 CO 0.18 0.09 -0.06 1.41 -0.10 0.00 0.00 175.22 176.73 3n9m s MET 357 N -0.35 3.21 -0.27 0.44 -2.45 -0.17 -0.59 119.30 119.12 3n9m s MET 357 Ca 0.04 -0.55 0.03 0.00 -1.25 0.00 0.00 55.69 53.95 3n9m s MET 357 Cb -0.12 -2.73 0.06 0.00 1.25 0.00 0.00 34.83 33.29 3n9m s MET 357 CO 0.02 0.44 -0.09 0.08 1.05 0.00 0.00 175.02 176.52 3n9m s VAL 358 N -0.19 2.22 0.35 10.11 1.01 0.60 -1.41 120.40 133.09 3n9m s VAL 358 Ca 0.03 -1.69 0.04 0.00 0.00 0.00 0.00 61.98 60.36 3n9m s VAL 358 Cb -0.13 -2.34 0.19 0.00 0.00 0.00 0.00 36.38 34.10 3n9m s VAL 358 CO 0.03 -0.08 1.92 0.11 0.00 0.00 0.00 175.10 177.07 3n9m h LYS 359 N 7.77 0.60 -3.86 2.72 1.57 -1.24 -0.53 116.57 123.61 3n9m h LYS 359 Ca -0.18 -0.09 -0.38 0.00 -1.87 0.00 0.00 60.65 58.13 3n9m h LYS 359 Cb 1.04 -0.10 -0.34 0.00 0.08 0.00 0.00 32.23 32.90 3n9m h LYS 359 CO 0.47 0.54 -0.76 0.34 -0.57 0.00 0.00 179.45 179.47 3n9m s ASP 360 N -6.68 0.70 0.00 0.86 2.15 -0.24 -4.10 116.67 109.36 3n9m s ASP 360 Ca -0.08 -0.07 0.23 0.00 0.43 0.00 0.00 52.55 53.06 3n9m s ASP 360 Cb 0.16 -0.33 1.27 0.00 -0.30 0.00 0.00 42.92 43.72 3n9m s ASP 360 CO 0.76 -0.08 1.77 1.15 -0.17 0.00 0.00 175.17 178.60 3n9m n MET 361 N 4.13 0.50 -1.83 4.34 0.00 -1.26 -3.00 117.12 119.99 3n9m n MET 361 Ca -0.25 0.04 -0.42 0.00 0.00 0.00 0.00 57.70 57.07 3n9m n MET 361 Cb 0.51 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.20 3n9m n MET 361 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3n9m s ASP 362 N -2.33 6.55 0.00 3.17 2.15 -1.26 -1.83 116.67 123.12 3n9m s ASP 362 Ca 0.28 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.74 3n9m s ASP 362 Cb 0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3n9m s ASP 362 CO 0.32 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 3n9m n GLY 363 N 4.31 2.34 0.32 2.66 0.00 -1.26 -0.13 105.19 113.42 3n9m n GLY 363 Ca 0.18 -0.51 0.21 0.00 0.00 0.00 0.00 46.02 45.90 3n9m n GLY 363 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n9m h LEU 364 N 0.00 0.00 -1.48 0.99 3.38 -1.57 -3.41 115.31 113.22 3n9m h LEU 364 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3n9m h LEU 364 Cb 0.00 0.00 0.15 0.00 0.09 0.00 0.00 40.66 40.90 3n9m h LEU 364 CO 0.00 0.01 -0.75 -3.20 0.09 0.00 0.00 178.44 174.58 3n9m n ASN 365 N -3.17 -2.93 -4.08 -0.43 2.85 -1.26 -3.33 115.26 102.91 3n9m n ASN 365 Ca -0.02 -0.62 -0.32 0.00 -0.11 0.00 0.00 54.58 53.51 3n9m n ASN 365 Cb 0.13 -5.04 -0.16 0.00 1.24 0.00 0.00 39.78 35.95 3n9m n ASN 365 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3n9m s MET 366 N -5.61 2.68 -0.31 1.20 1.75 -1.26 -2.11 119.30 115.64 3n9m s MET 366 Ca 0.13 -0.82 -0.29 0.00 -1.25 0.00 0.00 55.69 53.46 3n9m s MET 366 Cb -0.06 -2.49 0.02 0.00 2.84 0.00 0.00 34.83 35.14 3n9m s MET 366 CO 0.74 -0.27 1.07 0.99 -0.65 0.00 0.00 175.02 176.89 3n9m s THR 367 N 1.32 4.53 0.22 10.11 2.01 -1.25 -4.94 115.64 127.63 3n9m s THR 367 Ca 0.03 1.77 0.03 0.00 0.31 0.00 0.00 61.69 63.83 3n9m s THR 367 Cb -0.14 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 3n9m s THR 367 CO -0.11 -0.44 -0.01 -0.04 -0.69 0.00 0.00 174.62 173.32 3n9m s MET 368 N 3.60 1.29 0.69 4.92 -1.94 -1.22 0.07 119.30 126.71 3n9m s MET 368 Ca 0.45 -1.64 -0.13 0.00 -1.71 0.00 0.00 55.69 52.66 3n9m s MET 368 Cb -0.12 -0.57 0.01 0.00 2.01 0.00 0.00 34.83 36.16 3n9m s MET 368 CO 0.14 -0.09 1.08 -2.14 -0.01 0.00 0.00 175.02 174.00 3n9m s PRO 369 N -3.86 2.76 0.29 2.03 0.02 -1.24 -4.89 135.00 130.11 3n9m s PRO 369 Ca 0.27 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.16 3n9m s PRO 369 Cb 0.05 -1.96 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 3n9m s PRO 369 CO 0.08 -1.25 1.57 -1.59 -0.33 0.00 0.00 177.00 175.47 3n9m s LYS 370 N -4.59 4.14 0.61 5.54 0.00 -1.26 -4.93 119.74 119.25 3n9m s LYS 370 Ca 0.62 2.54 -0.19 0.00 0.00 0.00 0.00 55.97 58.95 3n9m s LYS 370 Cb -0.17 -3.03 -0.03 0.00 0.00 0.00 0.00 37.83 34.59 3n9m s LYS 370 CO 0.49 -0.60 1.15 -2.30 0.00 0.00 0.00 175.35 174.08 3n9m n PRO 371 N 2.17 1.09 0.00 1.78 -0.02 -1.26 -1.92 135.00 136.85 3n9m n PRO 371 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3n9m n PRO 371 Cb 0.38 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3n9m n PRO 371 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n9m n GLY 372 N 1.07 2.73 3.64 -1.23 0.00 -1.26 -5.05 105.19 105.10 3n9m n GLY 372 Ca 0.14 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 3n9m n GLY 372 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3n9m n PHE 373 N 0.00 1.90 -2.72 1.61 7.35 -0.81 -4.95 117.46 119.84 3n9m n PHE 373 Ca 0.00 0.52 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 3n9m n PHE 373 Cb 0.00 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.43 3n9m n PHE 373 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3n9m n ASP 374 N 2.01 0.00 -0.26 -2.13 5.68 -1.26 -4.87 116.55 115.72 3n9m n ASP 374 Ca 0.12 -0.43 0.05 0.00 -0.50 0.00 0.00 54.79 54.03 3n9m n ASP 374 Cb 0.30 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.46 3n9m n ASP 374 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3n9m h LEU 375 N 0.00 0.34 -0.67 -2.12 5.85 -1.98 -0.53 115.31 116.20 3n9m h LEU 375 Ca 0.00 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.95 3n9m h LEU 375 Cb 0.00 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 3n9m h LEU 375 CO 0.00 0.15 0.16 -0.33 -0.34 0.00 0.00 178.44 178.07 3n9m h GLU 376 N 0.49 0.27 -0.50 1.25 4.39 -1.98 0.89 114.58 119.39 3n9m h GLU 376 Ca 0.41 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 60.01 3n9m h GLU 376 Cb 0.58 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3n9m h GLU 376 CO -0.37 0.18 0.00 -0.44 -1.16 0.00 0.00 179.01 177.22 3n9m h ASP 377 N 0.27 0.81 -0.77 1.42 3.45 -1.53 -2.72 116.42 117.35 3n9m h ASP 377 Ca 0.36 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 3n9m h ASP 377 Cb 0.58 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.09 3n9m h ASP 377 CO -0.45 0.87 0.42 0.58 -1.57 0.00 0.00 179.24 179.09 3n9m h VAL 378 N 0.78 1.23 0.00 -1.35 2.07 -0.22 -2.67 116.25 116.09 3n9m h VAL 378 Ca 0.15 -0.58 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 3n9m h VAL 378 Cb 0.47 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3n9m h VAL 378 CO 0.02 0.26 -0.64 1.62 0.02 0.00 0.00 177.57 178.85 3n9m h VAL 379 N 1.07 1.18 -0.25 2.57 3.04 -1.18 -1.58 116.25 121.09 3n9m h VAL 379 Ca 0.27 -2.42 -0.00 0.00 -1.01 0.00 0.00 66.70 63.54 3n9m h VAL 379 Cb 0.03 2.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 3n9m h VAL 379 CO -0.04 0.62 0.14 0.11 -1.01 0.00 0.00 177.57 177.39 3n9m h LYS 380 N 0.00 0.35 0.11 4.17 1.57 -1.33 0.35 116.57 121.79 3n9m h LYS 380 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3n9m h LYS 380 Cb 1.36 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3n9m h LYS 380 CO 0.08 0.31 -0.05 0.82 -0.57 0.00 0.00 179.45 180.04 3n9m h ILE 381 N 0.30 1.10 0.01 1.86 2.04 -1.40 -3.31 117.51 118.11 3n9m h ILE 381 Ca 0.09 -0.91 -0.19 0.00 1.00 0.00 0.00 64.86 64.84 3n9m h ILE 381 Cb 0.06 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3n9m h ILE 381 CO -0.01 0.22 -0.89 0.24 0.00 0.00 0.00 178.15 177.71 3n9m h MET 382 N -0.58 0.10 0.00 2.37 2.86 -1.35 -3.49 114.93 114.85 3n9m h MET 382 Ca -0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3n9m h MET 382 Cb 0.46 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3n9m h MET 382 CO 0.02 0.92 0.00 0.41 1.06 0.00 0.00 176.91 179.32 3n9m n GLY 383 N 0.94 2.46 0.36 8.32 0.00 0.12 -4.57 105.19 112.82 3n9m n GLY 383 Ca -0.02 -1.57 0.16 0.00 0.00 0.00 0.00 46.02 44.59 3n9m n GLY 383 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3n9m h SER 384 N 0.00 0.17 0.12 1.61 0.02 -1.89 -2.00 113.55 111.58 3n9m h SER 384 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3n9m h SER 384 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3n9m h SER 384 CO 0.00 0.10 -0.13 0.47 -1.14 0.00 0.00 176.83 176.13 3n9m n ASP 385 N -4.44 1.25 -4.67 3.07 8.00 -1.26 -2.35 116.55 116.15 3n9m n ASP 385 Ca 0.09 -1.18 -0.43 0.00 0.71 0.00 0.00 54.79 53.98 3n9m n ASP 385 Cb 0.47 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3n9m n ASP 385 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n9m n TYR 386 N -0.25 2.51 -2.82 1.24 9.36 -0.75 -4.70 117.16 121.75 3n9m n TYR 386 Ca 0.15 -0.26 -0.42 0.00 3.32 0.00 0.00 57.90 60.70 3n9m n TYR 386 Cb 0.35 -2.76 -0.04 0.00 -0.63 0.00 0.00 39.34 36.26 3n9m n TYR 386 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 3n9m s GLU 387 N 3.90 4.22 -0.06 2.98 2.02 -1.26 -0.23 118.70 130.27 3n9m s GLU 387 Ca 0.88 1.08 0.05 0.00 0.02 0.00 0.00 54.97 57.00 3n9m s GLU 387 Cb -0.49 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.09 3n9m s GLU 387 CO 0.42 -0.53 -0.20 0.54 0.02 0.00 0.00 175.26 175.51 3n9m s VAL 388 N 2.86 2.50 -0.02 2.63 0.11 -0.73 -4.91 120.40 122.84 3n9m s VAL 388 Ca 0.38 -0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 3n9m s VAL 388 Cb -0.15 -1.95 -0.06 0.00 -1.53 0.00 0.00 36.38 32.69 3n9m s VAL 388 CO 0.08 0.57 1.59 -1.81 -3.33 0.00 0.00 175.10 172.20 3n9m s ASP 389 N -0.32 6.70 -0.06 3.54 -0.00 -1.26 -2.52 116.67 122.75 3n9m s ASP 389 Ca 0.02 2.25 0.05 0.00 -0.00 0.00 0.00 52.55 54.87 3n9m s ASP 389 Cb -0.13 -2.55 -0.01 0.00 -0.00 0.00 0.00 42.92 40.24 3n9m s ASP 389 CO 0.02 -0.87 -0.23 -0.89 -0.00 0.00 0.00 175.17 173.20 3n9m s THR 390 N 3.40 1.87 -0.33 -1.27 2.01 0.15 -0.35 115.64 121.13 3n9m s THR 390 Ca 0.71 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 61.55 3n9m s THR 390 Cb -0.34 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.57 3n9m s THR 390 CO 0.29 0.52 0.62 -0.63 -0.69 0.00 0.00 174.62 174.74 3n9m s ILE 391 N -0.08 4.93 -0.85 1.82 1.01 0.82 0.67 121.20 129.52 3n9m s ILE 391 Ca -0.04 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.07 3n9m s ILE 391 Cb -0.13 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3n9m s ILE 391 CO 0.03 -0.21 1.65 -0.62 0.00 0.00 0.00 174.94 175.80 3n9m s ASP 392 N 1.71 5.77 0.14 3.58 -1.08 0.11 -3.01 116.67 123.90 3n9m s ASP 392 Ca 0.24 -0.68 -0.26 0.00 -0.52 0.00 0.00 52.55 51.33 3n9m s ASP 392 Cb -0.15 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.74 3n9m s ASP 392 CO 0.13 -2.13 1.59 0.58 0.52 0.00 0.00 175.17 175.87 3n9m h VAL 393 N 6.82 0.21 -0.44 1.11 2.07 -1.60 -1.22 116.25 123.19 3n9m h VAL 393 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3n9m h VAL 393 Cb 1.04 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3n9m h VAL 393 CO 1.29 0.00 0.16 1.88 0.02 0.00 0.00 177.57 180.92 3n9m h TYR 394 N -0.39 0.62 -0.00 1.57 0.05 -1.79 -1.06 116.97 115.97 3n9m h TYR 394 Ca 0.11 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3n9m h TYR 394 Cb 0.58 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3n9m h TYR 394 CO -0.49 0.50 -0.01 -1.71 -1.05 0.00 0.00 178.16 175.41 3n9m n ASN 395 N -4.36 0.33 -3.92 3.88 5.15 -0.72 -4.37 115.26 111.25 3n9m n ASN 395 Ca 0.03 -1.02 -0.30 0.00 -0.60 0.00 0.00 54.58 52.69 3n9m n ASN 395 Cb 0.16 -0.02 -0.01 0.00 -0.53 0.00 0.00 39.78 39.38 3n9m n ASN 395 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3n9m n GLN 396 N -0.78 -0.59 -3.78 1.20 1.13 -0.40 -4.92 117.38 109.24 3n9m n GLN 396 Ca 0.22 -0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 3n9m n GLN 396 Cb 0.18 -1.59 -0.05 0.00 0.11 0.00 0.00 30.24 28.89 3n9m n GLN 396 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3n9m s SER 397 N -3.99 -0.13 -0.06 1.08 0.01 -1.15 -5.03 113.70 104.43 3n9m s SER 397 Ca 0.26 -0.55 0.05 0.00 1.31 0.00 0.00 55.95 57.02 3n9m s SER 397 Cb -0.14 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 3n9m s SER 397 CO 0.66 -0.91 -0.22 0.42 0.41 0.00 0.00 173.24 173.60 3n9m s THR 398 N -3.88 2.31 0.11 1.44 -4.23 -1.26 0.08 115.64 110.21 3n9m s THR 398 Ca 0.09 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 3n9m s THR 398 Cb 0.02 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 3n9m s THR 398 CO -0.06 0.57 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.24 3n9m s TYR 399 N -0.18 0.92 0.56 3.99 2.02 0.21 -4.46 117.35 120.41 3n9m s TYR 399 Ca -0.03 -0.96 -0.17 0.00 -0.37 0.00 0.00 57.07 55.54 3n9m s TYR 399 Cb -0.14 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.84 3n9m s TYR 399 CO 0.04 -0.20 1.05 -1.12 -1.57 0.00 0.00 175.55 173.75 3n9m s SER 400 N -3.06 5.97 -0.29 2.29 0.01 -1.26 0.34 113.70 117.70 3n9m s SER 400 Ca 0.14 1.84 -0.16 0.00 1.31 0.00 0.00 55.95 59.09 3n9m s SER 400 Cb 0.06 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.88 3n9m s SER 400 CO -0.03 -1.03 0.90 -0.32 0.41 0.00 0.00 173.24 173.16 3n9m s MET 401 N -3.84 0.45 0.27 12.44 0.00 -1.05 -3.17 119.30 124.41 3n9m s MET 401 Ca 0.64 0.84 -0.29 0.00 0.00 0.00 0.00 55.69 56.88 3n9m s MET 401 Cb -0.16 0.19 -0.14 0.00 0.00 0.00 0.00 34.83 34.72 3n9m s MET 401 CO 0.32 -0.10 1.10 1.63 0.00 0.00 0.00 175.02 177.97 3n9m n LYS 402 N 4.11 1.45 0.29 4.11 5.02 -1.26 -1.77 118.16 130.12 3n9m n LYS 402 Ca -0.17 0.51 0.15 0.00 -2.02 0.00 0.00 58.31 56.78 3n9m n LYS 402 Cb 0.57 -1.95 0.89 0.00 -0.02 0.00 0.00 35.03 34.52 3n9m n LYS 402 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3n9m h LEU 403 N 2.53 0.00 0.03 -0.35 5.85 -0.60 -1.50 115.31 121.28 3n9m h LEU 403 Ca -0.41 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.03 3n9m h LEU 403 Cb 1.33 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.38 3n9m h LEU 403 CO 0.64 0.01 -1.14 -0.78 -0.34 0.00 0.00 178.44 176.83 3n9m h ASP 404 N 0.00 0.78 -0.40 1.25 3.58 -1.74 -2.08 116.42 117.82 3n9m h ASP 404 Ca -0.00 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 56.76 3n9m h ASP 404 Cb 0.02 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3n9m h ASP 404 CO 0.00 1.50 0.25 0.74 -2.88 0.00 0.00 179.24 178.85 3n9m h THR 405 N 0.28 1.12 -0.21 2.25 2.02 -1.58 -0.63 112.91 116.15 3n9m h THR 405 Ca -0.15 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3n9m h THR 405 Cb 1.80 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3n9m h THR 405 CO 0.21 0.11 -0.09 0.15 0.37 0.00 0.00 175.52 176.28 3n9m h PHE 406 N 0.54 -0.20 -0.58 3.16 3.57 -1.41 -0.09 116.94 121.92 3n9m h PHE 406 Ca 0.15 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.78 3n9m h PHE 406 Cb -0.03 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 3n9m h PHE 406 CO -0.04 -0.14 0.10 -0.09 -2.23 0.00 0.00 178.31 175.91 3n9m h ARG 407 N -0.05 0.22 -0.49 1.11 1.12 -0.94 0.28 114.38 115.62 3n9m h ARG 407 Ca 0.11 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.91 3n9m h ARG 407 Cb 0.22 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.11 3n9m h ARG 407 CO -0.25 0.15 0.08 -0.22 -3.11 0.00 0.00 179.97 176.62 3n9m h LYS 408 N 0.23 0.77 -0.01 0.20 3.64 -0.36 -1.68 116.57 119.36 3n9m h LYS 408 Ca 0.30 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 59.32 3n9m h LYS 408 Cb 0.44 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3n9m h LYS 408 CO -0.40 0.72 -0.83 -0.07 -2.27 0.00 0.00 179.45 176.60 3n9m h LEU 409 N 0.74 0.29 -0.19 5.20 3.38 -0.02 -3.09 115.31 121.62 3n9m h LEU 409 Ca 0.16 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 3n9m h LEU 409 Cb 0.33 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3n9m h LEU 409 CO 0.00 0.99 -0.59 0.15 0.09 0.00 0.00 178.44 179.09 3n9m h PHE 410 N 0.14 0.95 0.00 1.13 3.57 -0.03 -3.15 116.94 119.55 3n9m h PHE 410 Ca -0.04 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3n9m h PHE 410 Cb 1.43 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3n9m h PHE 410 CO 0.03 1.19 0.00 0.00 -2.23 0.00 0.00 178.31 177.30 3n9m h ARG 411 N 0.44 0.00 -6.02 1.11 2.47 -1.43 -3.38 114.38 107.57 3n9m h ARG 411 Ca -0.02 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.20 3n9m h ARG 411 Cb 1.21 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.45 3n9m h ARG 411 CO 0.13 0.00 1.23 0.34 0.56 0.00 0.00 179.97 182.23 3n9m s ASP 412 N -6.04 6.02 0.11 7.04 2.15 -1.17 -4.77 116.67 120.01 3n9m s ASP 412 Ca 0.07 -1.03 0.16 0.00 0.43 0.00 0.00 52.55 52.18 3n9m s ASP 412 Cb 0.06 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 40.01 3n9m s ASP 412 CO 0.66 -1.93 0.97 0.74 -0.17 0.00 0.00 175.17 175.43 3n9m h THR 413 N 6.85 0.64 0.18 1.71 2.02 -1.81 -3.37 112.91 119.13 3n9m h THR 413 Ca 0.09 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.13 3n9m h THR 413 Cb 1.02 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3n9m h THR 413 CO 1.34 0.37 -0.09 0.50 0.37 0.00 0.00 175.52 178.01 3n9m h LYS 414 N 0.00 -0.24 -4.62 6.66 3.64 -1.96 -3.41 116.57 116.64 3n9m h LYS 414 Ca -0.13 0.02 -0.70 0.00 -1.27 0.00 0.00 60.65 58.57 3n9m h LYS 414 Cb 1.57 0.05 -0.25 0.00 -0.41 0.00 0.00 32.23 33.20 3n9m h LYS 414 CO 0.06 -0.01 -0.53 -0.80 -2.27 0.00 0.00 179.45 175.90 3n9m s ASN 415 N -5.14 5.68 -0.40 4.20 -0.87 -1.26 -5.00 114.94 112.15 3n9m s ASN 415 Ca -0.15 -0.95 0.07 0.00 -1.57 0.00 0.00 52.86 50.27 3n9m s ASN 415 Cb 0.04 -2.01 0.22 0.00 -0.02 0.00 0.00 41.25 39.48 3n9m s ASN 415 CO 0.63 -0.36 0.46 0.54 -2.57 0.00 0.00 177.10 175.80 3n9m n ARG 416 N 4.98 0.56 0.01 -0.60 1.74 -1.26 -4.92 116.66 117.17 3n9m n ARG 416 Ca -0.12 -3.23 -0.12 0.00 -0.77 0.00 0.00 57.85 53.61 3n9m n ARG 416 Cb 0.46 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 30.45 3n9m n ARG 416 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3n9m h PRO 417 N 4.55 0.07 -6.15 5.56 0.11 -1.98 -3.42 132.00 130.74 3n9m h PRO 417 Ca 0.14 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.71 3n9m h PRO 417 Cb 0.89 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 3n9m h PRO 417 CO 0.44 0.15 -0.51 -0.51 -0.21 0.00 0.00 178.00 177.36 3n9m s LEU 418 N -9.97 4.04 0.01 2.35 2.01 -1.26 -5.05 118.68 110.81 3n9m s LEU 418 Ca -0.14 -0.04 0.03 0.00 0.01 0.00 0.00 54.13 54.00 3n9m s LEU 418 Cb 0.06 -2.61 -0.03 0.00 0.01 0.00 0.00 46.19 43.61 3n9m s LEU 418 CO 0.67 0.02 -0.06 -0.76 1.01 0.00 0.00 176.35 177.23 3n9m s LEU 419 N -3.44 3.20 -0.05 1.79 1.43 -1.26 -5.05 118.68 115.29 3n9m s LEU 419 Ca 0.33 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3n9m s LEU 419 Cb -0.10 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.30 3n9m s LEU 419 CO 0.26 0.27 0.02 -0.31 0.23 0.00 0.00 176.35 176.82 3n9m s TYR 420 N -1.03 0.42 0.06 0.29 2.02 -1.26 -1.78 117.35 116.07 3n9m s TYR 420 Ca 0.18 -0.00 0.07 0.00 -0.37 0.00 0.00 57.07 56.95 3n9m s TYR 420 Cb -0.11 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 3n9m s TYR 420 CO 0.08 -0.25 -0.18 -0.80 -1.57 0.00 0.00 175.55 172.84 3n9m s ASN 421 N 1.88 3.84 0.08 2.29 0.02 -1.16 -3.58 114.94 118.31 3n9m s ASN 421 Ca 0.03 -0.46 -0.18 0.00 -1.02 0.00 0.00 52.86 51.23 3n9m s ASN 421 Cb -0.12 -0.60 -0.07 0.00 0.02 0.00 0.00 41.25 40.48 3n9m s ASN 421 CO -0.04 0.24 0.55 0.72 0.02 0.00 0.00 177.10 178.58 3n9m s PHE 422 N -0.98 3.75 0.04 2.20 -0.12 -0.68 -0.13 117.98 122.06 3n9m s PHE 422 Ca 0.16 1.19 -0.13 0.00 -0.05 0.00 0.00 56.93 58.09 3n9m s PHE 422 Cb -0.11 -2.44 -0.05 0.00 -0.63 0.00 0.00 43.02 39.79 3n9m s PHE 422 CO 0.07 0.55 1.21 1.25 -0.05 0.00 0.00 175.22 178.25 3n9m h LEU 423 N 4.31 -0.64 0.00 -1.99 6.46 -1.02 -3.41 115.31 119.01 3n9m h LEU 423 Ca -0.50 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3n9m h LEU 423 Cb 1.21 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 3n9m h LEU 423 CO 0.64 -0.20 0.00 -0.24 -0.62 0.00 0.00 178.44 178.02 3n9m n SER 424 N -3.64 0.00 -2.78 1.25 2.88 -1.26 -4.97 113.62 105.10 3n9m n SER 424 Ca -0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.46 3n9m n SER 424 Cb 0.15 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.62 3n9m n SER 424 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3n9m n LEU 425 N -2.04 -7.13 -4.68 2.46 7.94 -1.26 -2.63 117.00 109.65 3n9m n LEU 425 Ca 0.00 0.34 -0.38 0.00 -1.11 0.00 0.00 56.01 54.85 3n9m n LEU 425 Cb 0.00 -3.17 -0.07 0.00 0.53 0.00 0.00 43.42 40.72 3n9m n LEU 425 CO 0.00 -1.84 0.18 -0.70 -1.11 0.00 0.00 177.39 173.91 3n9m s GLU 426 N -2.61 4.23 -0.20 1.96 -6.30 -1.26 -1.29 118.70 113.23 3n9m s GLU 426 Ca 0.16 0.36 0.14 0.00 -2.50 0.00 0.00 54.97 53.13 3n9m s GLU 426 Cb -0.05 -3.52 0.42 0.00 0.00 0.00 0.00 34.13 30.99 3n9m s GLU 426 CO 0.69 -0.03 1.29 1.97 0.02 0.00 0.00 175.26 179.21 3n9m n PHE 427 N 4.37 0.43 0.30 5.30 1.16 -0.59 -4.71 117.46 123.72 3n9m n PHE 427 Ca -0.07 -1.25 0.12 0.00 -1.87 0.00 0.00 57.45 54.38 3n9m n PHE 427 Cb 0.51 -0.29 0.55 0.00 -1.61 0.00 0.00 39.48 38.64 3n9m n PHE 427 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3n9m h SER 428 N 0.84 0.00 -0.20 5.98 4.64 -1.94 -2.31 113.55 120.56 3n9m h SER 428 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3n9m h SER 428 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3n9m h SER 428 CO 0.13 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.19 3n9m n ASP 429 N -2.30 2.93 -4.32 4.97 5.75 -1.26 -4.82 116.55 117.50 3n9m n ASP 429 Ca 0.01 -2.46 -0.44 0.00 -0.01 0.00 0.00 54.79 51.89 3n9m n ASP 429 Cb 0.15 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 39.87 3n9m n ASP 429 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3n9m s ASN 430 N -1.55 6.00 0.33 -1.12 2.47 -0.87 -4.98 114.94 115.23 3n9m s ASN 430 Ca 0.25 -1.59 0.12 0.00 0.42 0.00 0.00 52.86 52.07 3n9m s ASN 430 Cb 0.18 -2.13 1.04 0.00 -1.45 0.00 0.00 41.25 38.89 3n9m s ASN 430 CO 0.09 -0.70 1.64 0.78 -3.72 0.00 0.00 177.10 175.19 3n9m h ASN 431 N 8.69 0.32 -0.06 -4.21 2.35 -1.89 0.27 115.58 121.04 3n9m h ASN 431 Ca -0.27 0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3n9m h ASN 431 Cb 1.10 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3n9m h ASN 431 CO 0.90 -0.21 -0.15 -0.08 -1.65 0.00 0.00 177.43 176.24 3n9m h GLU 432 N 0.22 0.21 -0.46 0.81 4.81 -1.94 -3.33 114.58 114.90 3n9m h GLU 432 Ca 0.71 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.75 3n9m h GLU 432 Cb 1.64 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 3n9m h GLU 432 CO -0.67 0.76 0.12 0.52 -0.73 0.00 0.00 179.01 179.01 3n9m h MET 433 N -0.31 0.73 0.00 1.92 2.86 -1.12 -3.09 114.93 115.91 3n9m h MET 433 Ca -0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3n9m h MET 433 Cb 0.76 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3n9m h MET 433 CO 0.03 0.72 0.00 0.36 1.06 0.00 0.00 176.91 179.08 3n9m n LYS 434 N -4.51 0.12 -0.05 1.72 2.85 0.68 -0.71 118.16 118.26 3n9m n LYS 434 Ca 0.01 0.56 -0.03 0.00 -1.05 0.00 0.00 58.31 57.80 3n9m n LYS 434 Cb 0.21 -1.84 -0.15 0.00 -0.65 0.00 0.00 35.03 32.60 3n9m n LYS 434 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3n9m n GLU 435 N -2.09 0.67 0.13 -1.58 -0.58 -1.17 -4.56 120.64 111.46 3n9m n GLU 435 Ca -0.00 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 3n9m n GLU 435 Cb 0.07 -1.59 -0.08 0.00 -0.57 0.00 0.00 31.44 29.26 3n9m n GLU 435 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3n9m h ILE 436 N 0.00 0.79 -3.29 -3.67 2.04 -0.85 -3.44 117.51 109.09 3n9m h ILE 436 Ca -0.33 -0.60 -0.62 0.00 1.00 0.00 0.00 64.86 64.31 3n9m h ILE 436 Cb 1.80 1.12 -0.36 0.00 -0.74 0.00 0.00 36.82 38.64 3n9m h ILE 436 CO 0.03 0.13 -0.83 0.00 0.00 0.00 0.00 178.15 177.48 3n9m s ALA 437 N -4.89 2.05 0.32 1.87 0.00 -1.12 -3.39 121.76 116.61 3n9m s ALA 437 Ca -0.14 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.71 3n9m s ALA 437 Cb 0.02 -1.21 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 3n9m s ALA 437 CO 0.57 -0.62 0.04 0.15 0.00 0.00 0.00 175.76 175.90 3n9m s LYS 438 N 1.39 1.65 0.51 0.00 1.02 0.11 -4.82 119.74 119.59 3n9m s LYS 438 Ca 0.01 -1.91 -0.18 0.00 0.02 0.00 0.00 55.97 53.92 3n9m s LYS 438 Cb -0.15 -0.93 -0.08 0.00 -0.52 0.00 0.00 37.83 36.15 3n9m s LYS 438 CO -0.10 -0.16 0.99 -2.14 -0.92 0.00 0.00 175.35 173.03 3n9m s PRO 439 N -3.87 3.89 0.39 -1.68 0.02 -1.26 -3.97 135.00 128.53 3n9m s PRO 439 Ca 0.36 1.07 -0.24 0.00 0.02 0.00 0.00 61.00 62.20 3n9m s PRO 439 Cb 0.08 -2.12 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 3n9m s PRO 439 CO 0.15 -0.32 0.81 -2.30 -0.33 0.00 0.00 177.00 175.01 3n9m n PRO 440 N -1.40 0.98 -0.26 5.54 -0.02 -1.26 -4.58 135.00 134.00 3n9m n PRO 440 Ca 0.07 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.98 3n9m n PRO 440 Cb 0.54 -1.76 0.21 0.00 -0.02 0.00 0.00 33.50 32.47 3n9m n PRO 440 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3n9m h ARG 441 N 1.29 0.21 0.00 -0.52 9.65 -1.42 0.44 114.38 124.03 3n9m h ARG 441 Ca -0.41 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 3n9m h ARG 441 Cb 1.37 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.90 3n9m h ARG 441 CO 0.55 0.14 -0.11 0.27 2.80 0.00 0.00 179.97 183.62 3n9m h PHE 442 N 0.22 0.00 -0.27 2.20 -5.15 -1.89 -1.41 116.94 110.65 3n9m h PHE 442 Ca 0.45 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 58.04 3n9m h PHE 442 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.00 3n9m h PHE 442 CO -0.30 0.11 -0.55 0.28 -2.00 0.00 0.00 178.31 175.85 3n9m h VAL 443 N 0.00 1.28 -0.34 0.88 2.07 -1.24 -2.93 116.25 115.96 3n9m h VAL 443 Ca -0.00 -1.74 -0.07 0.00 0.82 0.00 0.00 66.70 65.71 3n9m h VAL 443 Cb 0.24 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3n9m h VAL 443 CO 0.01 0.56 -0.06 1.56 0.02 0.00 0.00 177.57 179.67 3n9m h GLN 444 N 0.61 0.57 0.00 1.57 4.20 -0.97 -0.12 115.11 120.96 3n9m h GLN 444 Ca 0.01 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3n9m h GLN 444 Cb 1.16 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 3n9m h GLN 444 CO 0.12 0.64 -0.33 0.93 -0.67 0.00 0.00 178.83 179.52 3n9m h GLU 445 N 0.53 0.00 -0.00 1.46 5.08 -1.27 -3.27 114.58 117.10 3n9m h GLU 445 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3n9m h GLU 445 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3n9m h GLU 445 CO 0.02 0.33 -0.22 0.44 -1.00 0.00 0.00 179.01 178.59 3n9m n ILE 446 N -3.66 0.00 -2.05 3.13 -5.35 -1.09 -4.99 119.36 105.35 3n9m n ILE 446 Ca -0.01 -0.39 -0.42 0.00 -0.27 0.00 0.00 62.75 61.66 3n9m n ILE 446 Cb 0.44 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 39.38 3n9m n ILE 446 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3n9m s SER 447 N -1.32 6.58 0.20 7.28 0.15 -0.08 -4.30 113.70 122.22 3n9m s SER 447 Ca 0.06 2.03 -0.10 0.00 0.70 0.00 0.00 55.95 58.63 3n9m s SER 447 Cb 0.06 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 61.99 3n9m s SER 447 CO 0.23 -1.03 1.84 0.24 1.20 0.00 0.00 173.24 175.72 3n9m h MET 448 N 9.91 1.02 -0.84 5.44 2.86 -0.62 -1.22 114.93 131.48 3n9m h MET 448 Ca -0.37 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3n9m h MET 448 Cb 1.17 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 3n9m h MET 448 CO 0.97 0.73 0.50 0.28 1.06 0.00 0.00 176.91 180.45 3n9m h VAL 449 N 1.02 1.24 0.00 -2.22 2.07 -1.91 -1.70 116.25 114.75 3n9m h VAL 449 Ca 0.27 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3n9m h VAL 449 Cb -0.01 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3n9m h VAL 449 CO -0.05 0.25 -0.37 -1.13 0.02 0.00 0.00 177.57 176.29 3n9m h ASN 450 N 1.16 0.00 -0.01 0.57 -1.24 -1.65 -0.01 115.58 114.41 3n9m h ASN 450 Ca 0.30 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 57.10 3n9m h ASN 450 Cb -0.03 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.02 3n9m h ASN 450 CO -0.06 0.37 -0.78 -0.09 -1.29 0.00 0.00 177.43 175.59 3n9m h ARG 451 N 0.00 0.67 0.02 6.67 9.65 -0.43 -3.05 114.38 127.91 3n9m h ARG 451 Ca -0.00 -0.55 -0.28 0.00 -1.10 0.00 0.00 59.98 58.04 3n9m h ARG 451 Cb 0.67 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.33 3n9m h ARG 451 CO 0.05 1.17 -1.55 -0.07 2.80 0.00 0.00 179.97 182.36 3n9m h LEU 452 N 0.45 0.06 -6.01 3.80 3.38 -1.20 -3.38 115.31 112.41 3n9m h LEU 452 Ca -0.05 -0.11 -0.60 0.00 0.09 0.00 0.00 57.88 57.22 3n9m h LEU 452 Cb 1.39 -0.02 -0.42 0.00 0.09 0.00 0.00 40.66 41.70 3n9m h LEU 452 CO 0.15 1.09 -0.61 0.79 0.09 0.00 0.00 178.44 179.95 3n9m n TRP 453 N -3.18 3.66 0.21 1.13 8.01 -0.03 -4.48 117.44 122.75 3n9m n TRP 453 Ca -0.14 -4.12 0.07 0.00 -1.31 0.00 0.00 57.50 52.00 3n9m n TRP 453 Cb 1.03 -0.54 0.43 0.00 -2.01 0.00 0.00 31.31 30.21 3n9m n TRP 453 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3n9m h PRO 454 N 3.93 0.00 0.00 -0.99 0.11 -1.73 -3.43 132.00 129.90 3n9m h PRO 454 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3n9m h PRO 454 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3n9m h PRO 454 CO 0.83 0.31 0.00 2.48 -0.21 0.00 0.00 178.00 181.41 3n9m n TYR 470 N -3.63 0.00 -4.21 0.65 0.18 -1.26 -5.08 117.16 103.81 3n9m n TYR 470 Ca -0.01 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.64 3n9m n TYR 470 Cb 0.43 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.29 3n9m n TYR 470 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3n9m s LEU 471 N 0.00 2.50 0.14 -3.48 1.43 -1.26 -5.12 118.68 112.89 3n9m s LEU 471 Ca 0.00 -0.97 -0.34 0.00 -1.03 0.00 0.00 54.13 51.80 3n9m s LEU 471 Cb 0.00 -0.25 -0.13 0.00 0.03 0.00 0.00 46.19 45.83 3n9m s LEU 471 CO 0.00 -0.36 1.64 -2.65 0.23 0.00 0.00 176.35 175.21 3n9m n PRO 472 N 0.02 2.26 0.11 1.29 -0.02 -1.26 -4.87 135.00 132.52 3n9m n PRO 472 Ca -0.12 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.21 3n9m n PRO 472 Cb 0.60 -2.61 0.42 0.00 -0.02 0.00 0.00 33.50 31.89 3n9m n PRO 472 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n9m h GLU 473 N 6.52 0.28 0.00 -0.52 4.57 -1.99 -1.91 114.58 121.53 3n9m h GLU 473 Ca -0.45 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3n9m h GLU 473 Cb 1.25 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3n9m h GLU 473 CO 0.91 0.34 0.00 -0.40 -1.18 0.00 0.00 179.01 178.68 3n9m n ASP 474 N -4.34 0.00 -0.06 1.04 3.85 -1.26 -2.06 116.55 113.72 3n9m n ASP 474 Ca -0.00 -0.96 0.02 0.00 -0.71 0.00 0.00 54.79 53.14 3n9m n ASP 474 Cb 0.21 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 39.98 3n9m n ASP 474 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3n9m n GLN 475 N -0.68 3.16 -2.34 0.11 6.02 -0.72 -5.00 117.38 117.93 3n9m n GLN 475 Ca 0.05 -0.31 -0.42 0.00 -0.01 0.00 0.00 57.00 56.31 3n9m n GLN 475 Cb 0.02 -0.83 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 3n9m n GLN 475 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3n9m s ARG 476 N -0.88 4.35 -0.02 -1.09 3.52 -0.87 -4.92 118.95 119.04 3n9m s ARG 476 Ca 0.03 1.84 -0.30 0.00 -0.13 0.00 0.00 55.73 57.16 3n9m s ARG 476 Cb 0.03 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 3n9m s ARG 476 CO 0.10 -0.43 1.87 -2.14 -0.81 0.00 0.00 175.30 173.89 3n9m s PRO 477 N 1.80 4.08 -1.19 5.12 0.02 -1.26 -4.94 135.00 138.62 3n9m s PRO 477 Ca 0.60 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 63.90 3n9m s PRO 477 Cb -0.29 -4.11 0.20 0.00 0.02 0.00 0.00 34.50 30.31 3n9m s PRO 477 CO 0.26 -1.00 1.41 1.63 -0.33 0.00 0.00 177.00 178.97 3n9m n LYS 478 N 7.49 3.48 0.00 5.54 5.02 0.11 -4.63 118.16 135.16 3n9m n LYS 478 Ca 0.20 -3.98 0.00 0.00 -2.02 0.00 0.00 58.31 52.51 3n9m n LYS 478 Cb 0.42 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 3n9m n LYS 478 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3n9m n VAL 479 N 3.92 0.03 0.81 -0.18 0.24 -1.26 -4.45 118.33 117.44 3n9m n VAL 479 Ca 0.34 -0.04 0.11 0.00 -2.04 0.00 0.00 64.34 62.71 3n9m n VAL 479 Cb 0.41 1.44 0.10 0.00 -1.47 0.00 0.00 33.84 34.32 3n9m n VAL 479 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3n9m n GLU 480 N -0.01 0.13 -3.56 7.34 2.13 -1.25 -0.09 120.64 125.32 3n9m n GLU 480 Ca 0.00 0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 3n9m n GLU 480 Cb 0.37 -1.55 -0.14 0.00 0.27 0.00 0.00 31.44 30.39 3n9m n GLU 480 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3n9m s GLN 481 N -3.09 0.50 0.21 5.31 -0.21 -1.26 -3.96 119.66 117.17 3n9m s GLN 481 Ca 0.07 -1.03 0.09 0.00 0.02 0.00 0.00 55.36 54.52 3n9m s GLN 481 Cb 0.16 -1.46 -0.05 0.00 1.00 0.00 0.00 33.01 32.67 3n9m s GLN 481 CO 0.77 -1.09 -0.18 -0.59 -2.12 0.00 0.00 175.29 172.08 3n9m s PHE 482 N 1.51 1.96 -0.06 0.91 -0.71 0.83 -1.54 117.98 120.88 3n9m s PHE 482 Ca 0.13 -0.46 0.06 0.00 -1.04 0.00 0.00 56.93 55.62 3n9m s PHE 482 Cb -0.19 -0.91 -0.01 0.00 -1.21 0.00 0.00 43.02 40.69 3n9m s PHE 482 CO -0.19 0.46 -0.24 0.00 -1.34 0.00 0.00 175.22 173.91 3n9m s LEU 484 N -0.21 1.93 -0.12 0.00 1.02 0.85 -4.26 118.68 117.90 3n9m s LEU 484 Ca -0.02 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 53.41 3n9m s LEU 484 Cb -0.13 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 44.90 3n9m s LEU 484 CO 0.03 -0.12 -0.03 0.00 0.02 0.00 0.00 176.35 176.25 3n9m s ALA 485 N 1.48 3.08 0.02 4.21 0.00 -1.26 0.47 121.76 129.76 3n9m s ALA 485 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3n9m s ALA 485 Cb -0.15 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 3n9m s ALA 485 CO -0.09 0.39 -0.04 0.20 0.00 0.00 0.00 175.76 176.22 3n9m s GLY 486 N -0.23 0.29 0.13 0.00 0.00 -0.19 -1.68 107.32 105.65 3n9m s GLY 486 Ca 0.04 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 44.08 3n9m s GLY 486 CO 0.02 -0.60 0.53 1.06 0.00 0.00 0.00 173.10 174.12 3n9m s MET 487 N -1.23 3.96 -0.10 2.90 -1.94 -1.23 -0.55 119.30 121.10 3n9m s MET 487 Ca -0.11 0.46 -0.33 0.00 -1.71 0.00 0.00 55.69 54.00 3n9m s MET 487 Cb -0.08 -2.95 -0.10 0.00 2.01 0.00 0.00 34.83 33.70 3n9m s MET 487 CO -0.00 0.50 1.97 0.00 -0.01 0.00 0.00 175.02 177.47 3n9m n ALA 488 N 0.86 1.14 0.00 3.03 0.00 -1.26 -1.94 120.51 122.34 3n9m n ALA 488 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3n9m n ALA 488 Cb 0.52 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3n9m n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n9m n GLY 489 N 4.77 0.95 3.84 0.00 0.00 0.12 -4.92 105.19 109.96 3n9m n GLY 489 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 3n9m n GLY 489 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n9m s SER 490 N -1.10 6.07 -0.06 1.61 0.01 -0.82 -4.89 113.70 114.53 3n9m s SER 490 Ca 0.00 1.55 -0.04 0.00 1.31 0.00 0.00 55.95 58.78 3n9m s SER 490 Cb 0.00 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.77 3n9m s SER 490 CO 0.00 -0.97 0.15 -0.47 0.41 0.00 0.00 173.24 172.36 3n9m s TYR 491 N -2.92 -0.17 -0.18 2.43 5.04 -1.26 -1.55 117.35 118.73 3n9m s TYR 491 Ca 0.58 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.66 3n9m s TYR 491 Cb -0.12 -0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.15 3n9m s TYR 491 CO 0.47 -0.14 -0.10 0.99 -1.34 0.00 0.00 175.55 175.42 3n9m s THR 492 N 0.85 3.02 0.74 4.34 2.01 -0.19 -4.98 115.64 121.43 3n9m s THR 492 Ca -0.06 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 3n9m s THR 492 Cb -0.08 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.14 3n9m s THR 492 CO -0.04 0.48 1.08 -0.62 -0.69 0.00 0.00 174.62 174.82 3n9m s ASP 493 N 1.05 4.86 0.30 3.53 2.15 -1.26 -1.14 116.67 126.15 3n9m s ASP 493 Ca -0.00 1.71 -0.28 0.00 0.43 0.00 0.00 52.55 54.41 3n9m s ASP 493 Cb -0.15 -2.49 -0.14 0.00 -0.30 0.00 0.00 42.92 39.85 3n9m s ASP 493 CO -0.02 -1.79 1.07 0.49 -0.17 0.00 0.00 175.17 174.75 3n9m n PHE 494 N -3.36 1.47 -3.55 -5.34 3.01 -1.26 -4.61 117.46 103.82 3n9m n PHE 494 Ca 0.08 0.67 -0.11 0.00 1.01 0.00 0.00 57.45 59.11 3n9m n PHE 494 Cb 0.53 -2.28 -0.03 0.00 -0.01 0.00 0.00 39.48 37.69 3n9m n PHE 494 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 3n9m s HIS 495 N -1.04 -0.37 -0.17 1.38 -3.43 -0.74 -4.92 115.29 106.01 3n9m s HIS 495 Ca 0.58 0.10 -0.02 0.00 -0.80 0.00 0.00 55.06 54.92 3n9m s HIS 495 Cb -0.68 0.47 -0.02 0.00 -1.43 0.00 0.00 32.58 30.93 3n9m s HIS 495 CO 0.60 -0.85 -0.08 0.08 -2.00 0.00 0.00 174.74 172.49 3n9m s VAL 496 N -3.79 3.36 0.29 -5.38 1.01 -1.26 -2.05 120.40 112.57 3n9m s VAL 496 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3n9m s VAL 496 Cb -0.01 -2.47 -0.13 0.00 0.00 0.00 0.00 36.38 33.78 3n9m s VAL 496 CO -0.10 0.48 1.31 0.47 0.00 0.00 0.00 175.10 177.27 3n9m n ASP 497 N 3.95 2.59 -4.65 3.32 10.43 -1.26 -4.84 116.55 126.08 3n9m n ASP 497 Ca -0.18 1.17 -0.43 0.00 2.57 0.00 0.00 54.79 57.93 3n9m n ASP 497 Cb 0.52 -1.43 -0.00 0.00 1.84 0.00 0.00 41.12 42.04 3n9m n ASP 497 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 3n9m n PHE 498 N 1.07 1.73 -0.85 1.24 1.16 -1.26 -1.24 117.46 119.32 3n9m n PHE 498 Ca 0.09 0.59 0.00 0.00 -1.87 0.00 0.00 57.45 56.26 3n9m n PHE 498 Cb 0.33 -2.32 0.00 0.00 -1.61 0.00 0.00 39.48 35.88 3n9m n PHE 498 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3n9m n GLY 499 N 0.99 0.52 2.28 4.97 0.00 -1.26 -1.91 105.19 110.78 3n9m n GLY 499 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3n9m n GLY 499 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9m n GLY 500 N -1.85 0.53 3.74 -0.02 0.00 -0.37 -4.69 105.19 102.54 3n9m n GLY 500 Ca 0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 3n9m n GLY 500 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n9m s SER 501 N -2.66 4.94 0.55 1.61 1.04 -0.80 -4.17 113.70 114.21 3n9m s SER 501 Ca 0.00 2.51 -0.06 0.00 0.48 0.00 0.00 55.95 58.87 3n9m s SER 501 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 3n9m s SER 501 CO 0.00 -1.77 0.87 -0.44 0.98 0.00 0.00 173.24 172.88 3n9m s SER 502 N -1.48 5.95 -0.00 7.02 0.01 0.22 -4.58 113.70 120.85 3n9m s SER 502 Ca 0.79 0.90 0.04 0.00 1.31 0.00 0.00 55.95 58.99 3n9m s SER 502 Cb -0.34 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 3n9m s SER 502 CO 0.36 -0.84 -0.12 -0.69 0.41 0.00 0.00 173.24 172.36 3n9m s VAL 503 N -2.91 0.96 -0.03 3.43 1.01 0.51 -1.45 120.40 121.91 3n9m s VAL 503 Ca 0.51 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3n9m s VAL 503 Cb -0.10 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3n9m s VAL 503 CO 0.46 0.21 -0.14 -0.72 0.00 0.00 0.00 175.10 174.92 3n9m s TYR 504 N -0.39 2.70 -0.21 5.22 -0.85 -0.90 -0.42 117.35 122.50 3n9m s TYR 504 Ca 0.04 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.39 3n9m s TYR 504 Cb -0.05 -1.60 0.09 0.00 0.38 0.00 0.00 41.96 40.78 3n9m s TYR 504 CO -0.00 0.23 0.19 -0.47 -1.52 0.00 0.00 175.55 173.98 3n9m s TYR 505 N -0.80 -0.15 -0.15 -3.49 5.04 0.37 -1.64 117.35 116.52 3n9m s TYR 505 Ca 0.13 -0.00 -0.01 0.00 -2.44 0.00 0.00 57.07 54.75 3n9m s TYR 505 Cb -0.11 -0.48 -0.01 0.00 0.35 0.00 0.00 41.96 41.71 3n9m s TYR 505 CO 0.02 -0.62 -0.12 -1.58 -1.34 0.00 0.00 175.55 171.91 3n9m s HIS 506 N 2.27 2.83 -0.61 4.97 5.65 0.71 0.04 115.29 131.15 3n9m s HIS 506 Ca 0.06 -0.80 -0.22 0.00 0.25 0.00 0.00 55.06 54.35 3n9m s HIS 506 Cb -0.16 -1.90 0.07 0.00 -1.18 0.00 0.00 32.58 29.41 3n9m s HIS 506 CO -0.15 -0.34 0.88 0.42 -0.65 0.00 0.00 174.74 174.91 3n9m s ILE 507 N 0.66 4.47 -0.06 0.89 -1.09 -0.74 -1.42 121.20 123.92 3n9m s ILE 507 Ca -0.06 -0.35 -0.25 0.00 -2.23 0.00 0.00 60.65 57.76 3n9m s ILE 507 Cb -0.15 -4.58 -0.24 0.00 -1.58 0.00 0.00 42.46 35.90 3n9m s ILE 507 CO 0.02 -1.27 0.99 0.25 -1.23 0.00 0.00 174.94 173.70 3n9m h LEU 508 N 10.89 0.21 -8.02 2.97 5.85 -1.57 0.37 115.31 126.01 3n9m h LEU 508 Ca -0.28 -0.82 -0.31 0.00 0.84 0.00 0.00 57.88 57.31 3n9m h LEU 508 Cb 1.08 -0.07 -0.26 0.00 0.37 0.00 0.00 40.66 41.78 3n9m h LEU 508 CO 1.13 1.00 -0.75 -0.54 -0.34 0.00 0.00 178.44 178.94 3n9m s LYS 509 N -2.97 0.48 0.65 1.25 1.02 -0.86 -4.52 119.74 114.80 3n9m s LYS 509 Ca -0.16 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.42 3n9m s LYS 509 Cb 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 3n9m s LYS 509 CO 0.74 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 3n9m n GLY 510 N 2.38 0.16 3.58 -3.33 0.00 -1.25 -0.52 105.19 106.22 3n9m n GLY 510 Ca -0.17 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3n9m n GLY 510 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n9m s GLU 511 N 0.00 0.70 0.07 1.61 2.12 -1.26 -2.69 118.70 119.25 3n9m s GLU 511 Ca 0.00 0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.73 3n9m s GLU 511 Cb 0.00 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.70 3n9m s GLU 511 CO 0.00 -0.18 -0.11 0.15 -0.54 0.00 0.00 175.26 174.58 3n9m s LYS 512 N -0.67 0.72 -0.20 4.30 -0.14 -0.43 -3.88 119.74 119.43 3n9m s LYS 512 Ca -0.03 -0.93 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 3n9m s LYS 512 Cb -0.02 -0.56 0.02 0.00 -1.68 0.00 0.00 37.83 35.60 3n9m s LYS 512 CO 0.02 0.11 -0.16 0.42 -0.76 0.00 0.00 175.35 174.98 3n9m s ILE 513 N -1.58 2.26 -0.09 2.17 1.01 -0.24 -0.55 121.20 124.18 3n9m s ILE 513 Ca -0.03 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 59.48 3n9m s ILE 513 Cb -0.08 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3n9m s ILE 513 CO 0.01 0.42 0.31 -0.36 0.00 0.00 0.00 174.94 175.32 3n9m s PHE 514 N 1.28 3.60 -0.30 3.97 0.40 0.61 -0.79 117.98 126.76 3n9m s PHE 514 Ca 0.03 0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 57.07 3n9m s PHE 514 Cb -0.14 -2.24 0.04 0.00 0.51 0.00 0.00 43.02 41.19 3n9m s PHE 514 CO -0.10 0.51 0.03 0.71 0.70 0.00 0.00 175.22 177.07 3n9m s TYR 515 N -0.48 3.20 0.19 0.36 2.02 -0.10 -0.82 117.35 121.73 3n9m s TYR 515 Ca 0.19 -1.56 0.10 0.00 -0.37 0.00 0.00 57.07 55.43 3n9m s TYR 515 Cb -0.14 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3n9m s TYR 515 CO 0.08 -0.74 -0.19 0.96 -1.57 0.00 0.00 175.55 174.09 3n9m s ILE 516 N 1.34 2.03 -0.08 2.71 -4.36 -0.28 -0.84 121.20 121.72 3n9m s ILE 516 Ca -0.02 -2.06 -0.04 0.00 -0.26 0.00 0.00 60.65 58.27 3n9m s ILE 516 Cb -0.19 -2.00 0.04 0.00 1.25 0.00 0.00 42.46 41.56 3n9m s ILE 516 CO -0.00 -0.32 0.18 0.00 0.24 0.00 0.00 174.94 175.04 3n9m s ALA 517 N -2.16 -0.36 0.62 2.27 0.00 0.82 -0.02 121.76 122.92 3n9m s ALA 517 Ca 0.20 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 3n9m s ALA 517 Cb -0.05 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 3n9m s ALA 517 CO 0.09 -0.22 0.65 0.00 0.00 0.00 0.00 175.76 176.27 3n9m n ALA 518 N 4.36 -0.87 -1.11 0.00 0.00 -1.26 -1.76 120.51 119.85 3n9m n ALA 518 Ca -0.24 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 52.93 3n9m n ALA 518 Cb 0.52 -1.91 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 3n9m n ALA 518 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3n9m n PRO 519 N -0.51 2.49 -2.23 0.00 -0.02 -1.26 -4.71 135.00 128.75 3n9m n PRO 519 Ca 0.12 -1.39 -0.29 0.00 -2.02 0.00 0.00 63.50 59.92 3n9m n PRO 519 Cb 0.48 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3n9m n PRO 519 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3n9m s THR 520 N 1.14 4.18 0.25 3.45 -4.23 -1.26 -4.93 115.64 114.24 3n9m s THR 520 Ca 0.67 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 61.49 3n9m s THR 520 Cb 0.29 -3.66 0.26 0.00 1.34 0.00 0.00 72.50 70.73 3n9m s THR 520 CO -0.03 -0.76 1.92 -0.33 -0.54 0.00 0.00 174.62 174.89 3n9m h GLU 521 N -0.21 1.30 -0.07 3.99 5.08 -1.99 -1.31 114.58 121.37 3n9m h GLU 521 Ca -0.45 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 3n9m h GLU 521 Cb 1.23 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3n9m h GLU 521 CO 0.62 0.86 -0.01 0.37 -1.00 0.00 0.00 179.01 179.84 3n9m h GLN 522 N 1.34 0.13 -0.82 2.33 5.75 -1.97 -0.98 115.11 120.88 3n9m h GLN 522 Ca 0.38 -0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.92 3n9m h GLN 522 Cb -0.11 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.37 3n9m h GLN 522 CO -0.09 0.45 0.53 -0.91 -2.65 0.00 0.00 178.83 176.16 3n9m h ASN 523 N -0.20 0.71 0.16 -0.69 2.35 -1.83 0.14 115.58 116.22 3n9m h ASN 523 Ca 0.02 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3n9m h ASN 523 Cb 0.40 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3n9m h ASN 523 CO 0.01 0.42 -0.08 -0.26 -1.65 0.00 0.00 177.43 175.87 3n9m h PHE 524 N 0.79 -0.20 -0.48 1.19 -1.00 -1.14 -0.39 116.94 115.70 3n9m h PHE 524 Ca 0.38 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.25 3n9m h PHE 524 Cb 0.42 0.07 -0.10 0.00 3.61 0.00 0.00 35.95 39.94 3n9m h PHE 524 CO -0.00 -0.03 -0.26 0.00 -1.61 0.00 0.00 178.31 176.42 3n9m h ALA 525 N 0.49 0.05 -0.68 2.45 0.00 0.23 0.22 119.26 122.00 3n9m h ALA 525 Ca -0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3n9m h ALA 525 Cb 0.26 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3n9m h ALA 525 CO 0.04 -0.61 0.40 0.00 0.00 0.00 0.00 179.25 179.08 3n9m h ALA 526 N 1.09 1.42 -0.14 0.00 0.00 -0.72 -2.12 119.26 118.79 3n9m h ALA 526 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3n9m h ALA 526 Cb 0.50 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3n9m h ALA 526 CO -0.57 0.50 -0.05 -0.92 0.00 0.00 0.00 179.25 178.20 3n9m h TYR 527 N 0.94 0.32 -0.78 0.00 3.20 0.82 -1.17 116.97 120.30 3n9m h TYR 527 Ca 0.25 -0.08 0.10 0.00 3.14 0.00 0.00 58.73 62.14 3n9m h TYR 527 Cb -0.02 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 3n9m h TYR 527 CO 0.00 0.60 0.42 0.37 -1.64 0.00 0.00 178.16 177.91 3n9m h GLN 528 N -0.05 0.67 0.19 1.82 4.15 -0.49 -0.42 115.11 120.98 3n9m h GLN 528 Ca 0.03 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.42 3n9m h GLN 528 Cb 0.51 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 3n9m h GLN 528 CO 0.02 0.44 -0.21 0.00 -1.93 0.00 0.00 178.83 177.15 3n9m h ALA 529 N 1.46 -0.41 -0.96 3.38 0.00 -1.16 -0.62 119.26 120.95 3n9m h ALA 529 Ca 0.39 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.35 3n9m h ALA 529 Cb 0.40 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3n9m h ALA 529 CO -0.27 -0.76 0.59 1.25 0.00 0.00 0.00 179.25 180.06 3n9m h HIS 530 N -0.44 1.07 0.25 0.00 -0.00 -0.53 -0.66 115.15 114.84 3n9m h HIS 530 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3n9m h HIS 530 Cb 0.42 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3n9m h HIS 530 CO -0.16 0.43 -0.12 0.93 -0.00 0.00 0.00 177.93 179.01 3n9m h GLU 531 N 0.95 -0.32 0.00 5.26 4.39 -0.80 -3.27 114.58 120.79 3n9m h GLU 531 Ca 0.47 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.18 3n9m h GLU 531 Cb 0.44 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3n9m h GLU 531 CO -0.26 0.04 -0.02 1.79 -1.16 0.00 0.00 179.01 179.40 3n9m h THR 532 N -0.84 0.08 -4.02 1.13 1.35 -1.00 -3.44 112.91 106.17 3n9m h THR 532 Ca -0.03 -0.44 -0.51 0.00 -0.55 0.00 0.00 66.41 64.87 3n9m h THR 532 Cb 0.51 1.40 0.08 0.00 -1.73 0.00 0.00 68.15 68.41 3n9m h THR 532 CO 0.06 0.02 0.50 -0.55 -0.25 0.00 0.00 175.52 175.30 3n9m s SER 533 N -5.64 5.98 0.11 5.36 0.15 -0.27 -4.93 113.70 114.47 3n9m s SER 533 Ca -0.01 2.37 0.26 0.00 0.70 0.00 0.00 55.95 59.28 3n9m s SER 533 Cb 0.10 -2.61 0.78 0.00 -1.71 0.00 0.00 66.02 62.58 3n9m s SER 533 CO 0.52 -1.05 1.67 -2.65 1.20 0.00 0.00 173.24 172.93 3n9m n PRO 534 N -0.65 0.17 -1.88 5.44 -0.02 -1.26 -4.87 135.00 131.93 3n9m n PRO 534 Ca 0.08 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 3n9m n PRO 534 Cb 0.48 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 3n9m n PRO 534 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3n9m s ASP 535 N -3.90 6.55 -0.09 2.55 2.15 -1.26 -4.89 116.67 117.78 3n9m s ASP 535 Ca 0.11 2.61 0.13 0.00 0.43 0.00 0.00 52.55 55.82 3n9m s ASP 535 Cb 0.15 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.44 3n9m s ASP 535 CO 0.62 -0.89 1.16 0.35 -0.17 0.00 0.00 175.17 176.24 3n9m n THR 536 N 4.39 1.66 0.13 1.71 -2.24 -1.26 -4.67 114.28 114.00 3n9m n THR 536 Ca 0.15 -1.80 0.05 0.00 -2.27 0.00 0.00 64.05 60.18 3n9m n THR 536 Cb 0.39 -0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 3n9m n THR 536 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3n9m n THR 537 N -0.94 0.00 -3.66 4.28 -2.24 -1.26 0.06 114.28 110.52 3n9m n THR 537 Ca 0.12 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 3n9m n THR 537 Cb 0.56 0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 3n9m n THR 537 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n9m s THR 538 N -2.43 5.36 -0.12 4.28 2.01 -1.26 -4.61 115.64 118.87 3n9m s THR 538 Ca -0.01 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 3n9m s THR 538 Cb 0.06 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 3n9m s THR 538 CO 0.40 0.36 1.19 0.86 -0.69 0.00 0.00 174.62 176.74 3n9m s TRP 539 N 0.94 3.10 0.49 4.92 -0.00 -1.26 -4.91 118.94 122.22 3n9m s TRP 539 Ca 0.08 1.19 0.28 0.00 -0.00 0.00 0.00 56.10 57.65 3n9m s TRP 539 Cb -0.13 -3.42 1.35 0.00 -0.00 0.00 0.00 33.47 31.28 3n9m s TRP 539 CO 0.03 -1.28 1.83 0.35 -0.00 0.00 0.00 176.95 177.88 3n9m h PHE 540 N 7.72 0.24 0.00 5.86 3.57 -1.97 0.26 116.94 132.61 3n9m h PHE 540 Ca -0.29 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.17 3n9m h PHE 540 Cb 1.13 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3n9m h PHE 540 CO 0.76 0.03 -0.24 0.78 -2.23 0.00 0.00 178.31 177.41 3n9m h GLY 541 N 0.15 0.00 2.00 2.40 0.00 -1.97 -1.93 103.07 103.72 3n9m h GLY 541 Ca 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.84 3n9m h GLY 541 CO -0.10 0.00 -0.01 -0.55 0.00 0.00 0.00 176.54 175.88 3n9m h ASP 542 N 0.00 0.00 -0.15 0.19 3.45 -0.87 -3.08 116.42 115.96 3n9m h ASP 542 Ca -0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 3n9m h ASP 542 Cb 0.49 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3n9m h ASP 542 CO 0.03 0.01 -0.00 2.30 -1.57 0.00 0.00 179.24 180.00 3n9m n ILE 543 N -3.10 2.13 -0.52 0.35 -5.35 -1.01 -4.67 119.36 107.19 3n9m n ILE 543 Ca 0.04 -2.06 0.08 0.00 -0.27 0.00 0.00 62.75 60.53 3n9m n ILE 543 Cb 0.51 -0.25 0.35 0.00 -1.74 0.00 0.00 39.64 38.50 3n9m n ILE 543 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n9m n ALA 544 N -0.91 3.22 -2.32 -1.28 0.00 -0.76 -4.93 120.51 113.53 3n9m n ALA 544 Ca 0.19 -1.54 -0.19 0.00 0.00 0.00 0.00 53.44 51.91 3n9m n ALA 544 Cb 0.79 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 3n9m n ALA 544 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3n9m n ASN 545 N 0.95 -5.34 0.00 0.00 5.15 -1.26 -2.14 115.26 112.62 3n9m n ASN 545 Ca 0.25 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 3n9m n ASN 545 Cb 0.90 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.66 3n9m n ASN 545 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3n9m n GLY 546 N -0.90 0.46 0.17 8.20 0.00 -1.26 -4.94 105.19 106.93 3n9m n GLY 546 Ca -0.22 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.16 3n9m n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9m h ALA 547 N 0.00 0.81 -1.96 4.61 0.00 -1.75 -3.45 119.26 117.52 3n9m h ALA 547 Ca 0.00 -0.27 -0.57 0.00 0.00 0.00 0.00 54.91 54.07 3n9m h ALA 547 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3n9m h ALA 547 CO 0.00 0.37 0.84 0.08 0.00 0.00 0.00 179.25 180.55 3n9m s VAL 548 N -3.08 4.52 0.32 0.00 1.01 -1.26 -4.40 120.40 117.51 3n9m s VAL 548 Ca 0.05 1.76 0.07 0.00 0.00 0.00 0.00 61.98 63.86 3n9m s VAL 548 Cb 0.07 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 3n9m s VAL 548 CO 0.71 -0.46 0.27 -0.54 0.00 0.00 0.00 175.10 175.09 3n9m s LYS 549 N 3.62 2.75 -0.11 2.72 -0.14 0.97 -4.40 119.74 125.15 3n9m s LYS 549 Ca 0.45 -1.26 -0.00 0.00 -1.36 0.00 0.00 55.97 53.81 3n9m s LYS 549 Cb -0.12 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 33.52 3n9m s LYS 549 CO 0.15 0.15 -0.11 0.50 -0.76 0.00 0.00 175.35 175.28 3n9m s ARG 550 N -3.96 3.22 -0.03 1.68 3.52 0.77 -1.13 118.95 123.01 3n9m s ARG 550 Ca 0.39 -0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 55.35 3n9m s ARG 550 Cb -0.06 -2.63 0.03 0.00 -1.56 0.00 0.00 34.95 30.72 3n9m s ARG 550 CO 0.26 0.34 0.02 0.54 -0.81 0.00 0.00 175.30 175.65 3n9m s VAL 551 N 0.03 0.05 -0.20 7.11 0.11 -0.00 -4.24 120.40 123.26 3n9m s VAL 551 Ca -0.03 0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 59.09 3n9m s VAL 551 Cb -0.14 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 3n9m s VAL 551 CO 0.04 0.13 0.20 -0.69 -3.33 0.00 0.00 175.10 171.45 3n9m s VAL 552 N 1.25 5.36 -0.24 2.04 1.01 -1.26 -0.28 120.40 128.27 3n9m s VAL 552 Ca -0.07 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3n9m s VAL 552 Cb -0.13 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.74 3n9m s VAL 552 CO -0.03 0.39 -0.09 -0.63 0.00 0.00 0.00 175.10 174.75 3n9m s ILE 553 N 0.59 2.57 0.68 2.22 1.09 0.29 -5.01 121.20 123.63 3n9m s ILE 553 Ca 0.11 -1.19 0.02 0.00 -1.10 0.00 0.00 60.65 58.49 3n9m s ILE 553 Cb -0.12 -2.33 0.11 0.00 -1.06 0.00 0.00 42.46 39.06 3n9m s ILE 553 CO 0.02 0.18 0.93 -0.54 -0.10 0.00 0.00 174.94 175.43 3n9m s LYS 554 N 1.26 1.87 0.24 2.79 1.02 -1.26 -1.32 119.74 124.33 3n9m s LYS 554 Ca -0.02 -1.21 -0.31 0.00 0.02 0.00 0.00 55.97 54.45 3n9m s LYS 554 Cb -0.17 -2.41 -0.12 0.00 -0.52 0.00 0.00 37.83 34.61 3n9m s LYS 554 CO -0.06 -1.27 1.65 -1.91 -0.92 0.00 0.00 175.35 172.84 3n9m n GLU 555 N -2.67 2.66 -0.26 1.68 2.13 -1.09 -1.40 120.64 121.69 3n9m n GLU 555 Ca 0.15 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.92 3n9m n GLU 555 Cb 0.61 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 29.55 3n9m n GLU 555 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3n9m n GLY 556 N 3.20 1.76 3.90 8.31 0.00 0.13 -5.03 105.19 117.46 3n9m n GLY 556 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3n9m n GLY 556 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n9m s GLN 557 N -0.26 3.64 0.04 1.61 -0.21 -0.49 -4.31 119.66 119.68 3n9m s GLN 557 Ca 0.00 0.03 0.08 0.00 0.02 0.00 0.00 55.36 55.49 3n9m s GLN 557 Cb 0.00 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 3n9m s GLN 557 CO 0.00 0.21 -0.23 0.99 -2.12 0.00 0.00 175.29 174.14 3n9m s THR 558 N -2.08 1.83 -0.09 -0.19 2.01 -0.21 -1.79 115.64 115.12 3n9m s THR 558 Ca 0.44 -1.24 0.03 0.00 0.31 0.00 0.00 61.69 61.24 3n9m s THR 558 Cb -0.11 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3n9m s THR 558 CO 0.30 0.29 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.09 3n9m s LEU 559 N -1.14 2.31 -0.22 4.42 2.96 0.11 -0.29 118.68 126.83 3n9m s LEU 559 Ca 0.09 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3n9m s LEU 559 Cb -0.09 -1.47 0.05 0.00 0.50 0.00 0.00 46.19 45.18 3n9m s LEU 559 CO 0.02 0.20 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.37 3n9m s LEU 560 N 0.11 2.61 -0.20 -0.68 1.43 0.24 -0.48 118.68 121.71 3n9m s LEU 560 Ca -0.10 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 3n9m s LEU 560 Cb -0.16 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.73 3n9m s LEU 560 CO 0.06 -0.14 -0.15 -0.63 0.23 0.00 0.00 176.35 175.72 3n9m s ILE 561 N 1.30 2.40 0.45 -0.59 1.01 0.43 -1.50 121.20 124.69 3n9m s ILE 561 Ca -0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 3n9m s ILE 561 Cb -0.17 -2.09 0.11 0.00 0.01 0.00 0.00 42.46 40.32 3n9m s ILE 561 CO -0.08 0.42 0.41 -0.81 0.00 0.00 0.00 174.94 174.88 3n9m n PRO 562 N 4.64 -1.73 -2.46 2.79 -0.04 -1.26 -0.36 135.00 136.58 3n9m n PRO 562 Ca -0.19 -0.65 -0.41 0.00 -0.04 0.00 0.00 63.50 62.21 3n9m n PRO 562 Cb 0.49 -0.59 -0.04 0.00 -0.04 0.00 0.00 33.50 33.32 3n9m n PRO 562 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3n9m s ALA 563 N -3.05 3.40 0.00 0.55 0.00 -1.26 -4.10 121.76 117.30 3n9m s ALA 563 Ca 0.26 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3n9m s ALA 563 Cb -0.02 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3n9m s ALA 563 CO 0.20 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3n9m n GLY 564 N 1.85 1.82 3.74 0.00 0.00 -1.26 -4.88 105.19 106.46 3n9m n GLY 564 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3n9m n GLY 564 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3n9m s TRP 565 N -2.48 2.86 -0.08 1.61 0.52 -1.26 -4.38 118.94 115.73 3n9m s TRP 565 Ca 0.00 0.63 -0.19 0.00 0.02 0.00 0.00 56.10 56.56 3n9m s TRP 565 Cb 0.00 -4.06 -0.04 0.00 -1.15 0.00 0.00 33.47 28.22 3n9m s TRP 565 CO 0.00 -3.75 0.52 0.42 0.02 0.00 0.00 176.95 174.15 3n9m s ILE 566 N 0.54 5.11 -0.14 2.03 1.01 -0.72 -4.48 121.20 124.55 3n9m s ILE 566 Ca 0.68 1.05 -0.22 0.00 0.00 0.00 0.00 60.65 62.15 3n9m s ILE 566 Cb -0.47 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.20 3n9m s ILE 566 CO 0.40 0.36 0.56 -1.38 0.00 0.00 0.00 174.94 174.88 3n9m s HIS 567 N 0.35 -0.56 0.31 3.97 -3.43 -0.87 -0.13 115.29 114.93 3n9m s HIS 567 Ca 0.28 1.22 0.10 0.00 -0.80 0.00 0.00 55.06 55.86 3n9m s HIS 567 Cb -0.16 0.25 -0.05 0.00 -1.43 0.00 0.00 32.58 31.18 3n9m s HIS 567 CO 0.13 -0.40 -0.10 0.00 -2.00 0.00 0.00 174.74 172.36 3n9m s ALA 568 N -0.38 2.95 -0.04 -1.38 0.00 -0.02 -1.79 121.76 121.11 3n9m s ALA 568 Ca -0.05 -1.94 0.02 0.00 0.00 0.00 0.00 51.96 49.99 3n9m s ALA 568 Cb -0.03 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3n9m s ALA 568 CO 0.04 0.17 -0.08 0.08 0.00 0.00 0.00 175.76 175.97 3n9m s VAL 569 N -2.52 0.75 -0.16 0.00 1.01 -0.29 -0.92 120.40 118.26 3n9m s VAL 569 Ca 0.32 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 3n9m s VAL 569 Cb -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 3n9m s VAL 569 CO 0.17 0.25 -0.03 -0.22 0.00 0.00 0.00 175.10 175.27 3n9m s LEU 570 N 0.49 3.23 -0.71 3.92 2.96 0.03 -1.02 118.68 127.58 3n9m s LEU 570 Ca -0.08 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3n9m s LEU 570 Cb -0.12 -1.78 0.18 0.00 0.50 0.00 0.00 46.19 44.97 3n9m s LEU 570 CO 0.01 0.15 0.57 -0.89 -1.32 0.00 0.00 176.35 174.86 3n9m s THR 571 N 0.50 4.42 0.06 3.68 2.01 -0.60 -1.08 115.64 124.64 3n9m s THR 571 Ca -0.03 -2.82 -0.22 0.00 0.31 0.00 0.00 61.69 58.93 3n9m s THR 571 Cb -0.14 -3.81 -0.13 0.00 0.01 0.00 0.00 72.50 68.42 3n9m s THR 571 CO 0.03 -0.94 1.54 -0.65 -0.69 0.00 0.00 174.62 173.91 3n9m h PRO 572 N 7.26 0.17 -6.43 4.92 0.11 -1.86 0.35 132.00 136.52 3n9m h PRO 572 Ca 0.04 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 65.46 3n9m h PRO 572 Cb 0.98 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 31.94 3n9m h PRO 572 CO 0.73 0.35 -0.69 0.08 -0.21 0.00 0.00 178.00 178.25 3n9m s VAL 573 N -5.26 3.66 0.10 3.15 1.01 -1.26 -3.74 120.40 118.05 3n9m s VAL 573 Ca -0.14 -1.23 -0.36 0.00 0.00 0.00 0.00 61.98 60.25 3n9m s VAL 573 Cb 0.05 -2.76 -0.16 0.00 0.00 0.00 0.00 36.38 33.51 3n9m s VAL 573 CO 0.69 0.05 1.36 0.47 0.00 0.00 0.00 175.10 177.67 3n9m n ASP 574 N 0.43 1.77 -4.09 3.32 10.43 -1.26 -4.19 116.55 122.96 3n9m n ASP 574 Ca -0.12 1.12 -0.13 0.00 2.57 0.00 0.00 54.79 58.23 3n9m n ASP 574 Cb 0.53 -1.21 -0.11 0.00 1.84 0.00 0.00 41.12 42.16 3n9m n ASP 574 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3n9m s SER 575 N 0.51 0.98 -0.06 -2.24 0.01 0.29 -3.82 113.70 109.36 3n9m s SER 575 Ca 0.84 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.46 3n9m s SER 575 Cb -0.93 0.04 0.02 0.00 0.21 0.00 0.00 66.02 65.36 3n9m s SER 575 CO 0.46 -0.24 -0.06 -0.22 0.41 0.00 0.00 173.24 173.59 3n9m s LEU 576 N -1.88 1.28 0.03 2.44 2.96 0.33 -1.02 118.68 122.82 3n9m s LEU 576 Ca -0.05 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3n9m s LEU 576 Cb -0.07 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 3n9m s LEU 576 CO -0.00 -0.06 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.16 3n9m s VAL 577 N 1.12 0.85 -0.09 1.68 1.01 0.18 -1.42 120.40 123.72 3n9m s VAL 577 Ca -0.07 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3n9m s VAL 577 Cb -0.14 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3n9m s VAL 577 CO -0.01 -0.06 -0.23 -0.36 0.00 0.00 0.00 175.10 174.44 3n9m s PHE 578 N -0.83 2.55 0.11 5.22 0.40 -0.51 -0.10 117.98 124.83 3n9m s PHE 578 Ca -0.01 -0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 55.41 3n9m s PHE 578 Cb -0.07 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 41.78 3n9m s PHE 578 CO 0.01 -0.32 0.20 0.41 0.70 0.00 0.00 175.22 176.22 3n9m n GLY 579 N 3.31 2.18 3.54 4.36 0.00 -0.54 -0.21 105.19 117.84 3n9m n GLY 579 Ca -0.18 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3n9m n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n9m s GLY 580 N -1.64 -0.37 -0.08 -0.02 0.00 -0.65 -0.12 107.32 104.43 3n9m s GLY 580 Ca 0.07 1.48 0.01 0.00 0.00 0.00 0.00 44.72 46.27 3n9m s GLY 580 CO 0.05 0.64 -0.08 -1.31 0.00 0.00 0.00 173.10 172.41 3n9m s ASN 581 N -1.88 4.55 0.03 1.64 -0.87 0.87 -2.12 114.94 117.16 3n9m s ASN 581 Ca 0.02 -0.07 -0.10 0.00 -1.57 0.00 0.00 52.86 51.13 3n9m s ASN 581 Cb -0.01 -1.23 0.01 0.00 -0.02 0.00 0.00 41.25 40.00 3n9m s ASN 581 CO -0.04 0.33 0.22 0.72 -2.57 0.00 0.00 177.10 175.75 3n9m s PHE 582 N -0.59 -0.00 -0.05 2.20 -0.12 -0.53 -3.81 117.98 115.08 3n9m s PHE 582 Ca 0.09 -0.14 -0.00 0.00 -0.05 0.00 0.00 56.93 56.83 3n9m s PHE 582 Cb -0.12 0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 3n9m s PHE 582 CO 0.02 -0.41 0.00 -0.51 -0.05 0.00 0.00 175.22 174.27 3n9m s LEU 583 N -1.85 3.54 0.01 -1.99 1.43 -1.26 -0.61 118.68 117.95 3n9m s LEU 583 Ca -0.08 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3n9m s LEU 583 Cb -0.03 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.29 3n9m s LEU 583 CO -0.02 0.33 0.18 -1.38 0.23 0.00 0.00 176.35 175.69 3n9m s HIS 584 N -0.98 0.01 0.49 0.29 -3.43 -1.26 0.17 115.29 110.58 3n9m s HIS 584 Ca 0.16 -0.10 0.19 0.00 -0.80 0.00 0.00 55.06 54.51 3n9m s HIS 584 Cb -0.11 -0.02 1.23 0.00 -1.43 0.00 0.00 32.58 32.24 3n9m s HIS 584 CO 0.06 -0.34 2.03 -0.07 -2.00 0.00 0.00 174.74 174.42 3n9m h LEU 585 N 4.01 0.14 -1.87 5.38 4.07 -1.95 -1.57 115.31 123.52 3n9m h LEU 585 Ca -0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.65 3n9m h LEU 585 Cb 1.19 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3n9m h LEU 585 CO 0.42 0.08 0.00 1.23 -1.08 0.00 0.00 178.44 179.10 3n9m h GLY 586 N 0.15 0.00 -1.43 0.83 0.00 -1.87 -2.22 103.07 98.54 3n9m h GLY 586 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 3n9m h GLY 586 CO -0.03 0.00 -0.08 0.70 0.00 0.00 0.00 176.54 177.13 3n9m n ASN 587 N -3.04 2.82 0.06 0.19 4.13 -0.60 -4.56 115.26 114.26 3n9m n ASN 587 Ca -0.00 -3.43 -0.11 0.00 1.68 0.00 0.00 54.58 52.72 3n9m n ASN 587 Cb 0.23 -0.56 -0.05 0.00 -1.54 0.00 0.00 39.78 37.87 3n9m n ASN 587 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3n9m h LEU 588 N 1.07 -0.50 -0.17 3.41 5.85 -1.34 -0.19 115.31 123.45 3n9m h LEU 588 Ca 0.09 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3n9m h LEU 588 Cb 1.41 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 3n9m h LEU 588 CO 0.23 -0.23 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.58 3n9m h GLU 589 N -0.28 -0.21 -0.18 1.25 5.08 -1.88 -2.04 114.58 116.31 3n9m h GLU 589 Ca 0.05 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3n9m h GLU 589 Cb 0.35 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3n9m h GLU 589 CO -0.16 -0.14 -0.16 1.98 -1.00 0.00 0.00 179.01 179.53 3n9m h MET 590 N -0.21 0.31 -0.36 2.33 4.05 -1.87 -1.74 114.93 117.43 3n9m h MET 590 Ca 0.11 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3n9m h MET 590 Cb 0.38 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3n9m h MET 590 CO -0.29 0.47 0.17 1.96 0.23 0.00 0.00 176.91 179.45 3n9m h GLN 591 N 0.29 0.52 -0.66 0.39 4.20 -0.47 -0.96 115.11 118.42 3n9m h GLN 591 Ca 0.05 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3n9m h GLN 591 Cb 0.46 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3n9m h GLN 591 CO 0.03 0.47 0.26 0.52 -0.67 0.00 0.00 178.83 179.44 3n9m h MET 592 N 0.45 1.00 -0.68 1.46 2.86 -0.97 -0.85 114.93 118.19 3n9m h MET 592 Ca 0.12 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3n9m h MET 592 Cb 0.12 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 3n9m h MET 592 CO -0.02 0.84 0.40 0.00 1.06 0.00 0.00 176.91 179.19 3n9m h ARG 593 N 0.94 0.74 -0.31 1.72 3.08 -1.00 0.73 114.38 120.28 3n9m h ARG 593 Ca 0.22 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 3n9m h ARG 593 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3n9m h ARG 593 CO -0.02 0.49 -0.15 0.28 -1.07 0.00 0.00 179.97 179.51 3n9m h VAL 594 N 0.76 1.24 -0.62 2.04 2.07 -0.92 -1.59 116.25 119.25 3n9m h VAL 594 Ca 0.29 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3n9m h VAL 594 Cb 0.10 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3n9m h VAL 594 CO -0.14 0.36 0.27 0.22 0.02 0.00 0.00 177.57 178.30 3n9m h TYR 595 N 0.50 0.88 -0.20 1.57 3.20 0.23 0.16 116.97 123.31 3n9m h TYR 595 Ca 0.09 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3n9m h TYR 595 Cb 0.55 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3n9m h TYR 595 CO 0.02 0.67 -0.09 0.45 -1.64 0.00 0.00 178.16 177.56 3n9m h HIS 596 N 0.88 0.48 0.01 -3.82 3.86 -0.47 -1.97 115.15 114.13 3n9m h HIS 596 Ca 0.21 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3n9m h HIS 596 Cb 0.13 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 3n9m h HIS 596 CO 0.01 0.71 -0.21 1.25 0.86 0.00 0.00 177.93 180.54 3n9m h LEU 597 N 0.12 -0.63 -0.54 2.43 5.85 -0.94 -1.29 115.31 120.32 3n9m h LEU 597 Ca 0.05 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.94 3n9m h LEU 597 Cb 0.58 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 3n9m h LEU 597 CO 0.03 -0.28 0.14 -0.33 -0.34 0.00 0.00 178.44 177.65 3n9m h GLU 598 N -0.35 0.28 -0.46 1.25 5.08 -0.62 -1.13 114.58 118.62 3n9m h GLU 598 Ca 0.06 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3n9m h GLU 598 Cb 0.42 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3n9m h GLU 598 CO -0.19 0.18 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.09 3n9m h ASN 599 N 0.29 0.73 0.21 1.42 2.35 -1.10 0.44 115.58 119.92 3n9m h ASN 599 Ca 0.27 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3n9m h ASN 599 Cb 0.36 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3n9m h ASN 599 CO -0.33 0.81 -0.13 0.00 -1.65 0.00 0.00 177.43 176.13 3n9m h ALA 600 N 1.28 -0.31 -0.56 -0.83 0.00 -0.45 -2.76 119.26 115.63 3n9m h ALA 600 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3n9m h ALA 600 Cb 0.44 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3n9m h ALA 600 CO 0.02 -0.69 0.34 0.82 0.00 0.00 0.00 179.25 179.75 3n9m h ILE 601 N -0.33 1.16 0.00 0.00 2.04 -0.92 -2.63 117.51 116.83 3n9m h ILE 601 Ca -0.02 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3n9m h ILE 601 Cb 0.28 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3n9m h ILE 601 CO 0.02 0.16 -0.02 -0.09 0.00 0.00 0.00 178.15 178.22 3n9m h ARG 602 N 0.75 0.00 0.00 2.37 2.43 -0.85 -0.70 114.38 118.38 3n9m h ARG 602 Ca 0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3n9m h ARG 602 Cb -0.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3n9m h ARG 602 CO -0.04 0.02 -0.23 0.87 -1.51 0.00 0.00 179.97 179.08 3n9m h LYS 603 N 0.00 0.00 0.15 0.20 1.57 -1.18 -3.37 116.57 113.94 3n9m h LYS 603 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 3n9m h LYS 603 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3n9m h LYS 603 CO 0.00 0.04 -1.84 1.49 -0.57 0.00 0.00 179.45 178.57 3n9m h GLU 604 N 0.00 0.32 -5.30 3.15 4.57 -0.94 -3.46 114.58 112.92 3n9m h GLU 604 Ca -0.00 -0.54 -0.52 0.00 -1.18 0.00 0.00 59.36 57.11 3n9m h GLU 604 Cb 1.03 0.20 -0.30 0.00 -0.16 0.00 0.00 28.75 29.52 3n9m h GLU 604 CO 0.00 1.23 -0.82 0.96 -1.18 0.00 0.00 179.01 179.21 3n9m s ILE 605 N -2.57 1.25 -0.88 2.32 -5.25 -0.96 -5.05 121.20 110.05 3n9m s ILE 605 Ca -0.18 -0.65 -0.22 0.00 -0.99 0.00 0.00 60.65 58.62 3n9m s ILE 605 Cb 0.06 -1.06 -0.13 0.00 2.95 0.00 0.00 42.46 44.28 3n9m s ILE 605 CO 0.82 0.36 1.94 0.54 -1.79 0.00 0.00 174.94 176.81 3n9m n ARG 606 N 2.93 1.63 0.00 0.37 1.74 -1.26 -4.67 116.66 117.40 3n9m n ARG 606 Ca -0.16 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 3n9m n ARG 606 Cb 0.54 -3.07 0.00 0.00 -1.02 0.00 0.00 32.46 28.91 3n9m n ARG 606 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3n9m n SER 607 N 8.45 0.00 0.00 0.55 3.41 -1.26 -4.79 113.62 119.98 3n9m n SER 607 Ca 0.49 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 3n9m n SER 607 Cb 0.41 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3n9m n SER 607 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n9m n GLU 608 N -0.78 0.00 -0.00 4.33 -0.58 -1.26 -4.40 120.64 117.95 3n9m n GLU 608 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 3n9m n GLU 608 Cb 0.00 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.28 3n9m n GLU 608 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3n9m n GLU 609 N -0.17 0.63 -1.68 3.49 0.28 -1.26 -4.85 120.64 117.07 3n9m n GLU 609 Ca 0.00 0.26 -0.45 0.00 -0.16 0.00 0.00 57.16 56.81 3n9m n GLU 609 Cb 0.00 -1.79 -0.04 0.00 1.43 0.00 0.00 31.44 31.04 3n9m n GLU 609 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3n9m n LYS 610 N -2.98 2.28 -3.56 3.44 5.02 -1.26 -4.85 118.16 116.24 3n9m n LYS 610 Ca -0.14 0.82 -0.37 0.00 -2.02 0.00 0.00 58.31 56.60 3n9m n LYS 610 Cb 0.97 -2.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.33 3n9m n LYS 610 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3n9m s PHE 611 N 0.73 3.50 0.35 2.13 5.36 -1.26 -5.09 117.98 123.70 3n9m s PHE 611 Ca 0.75 0.62 0.09 0.00 -0.96 0.00 0.00 56.93 57.44 3n9m s PHE 611 Cb -0.63 -2.30 -0.06 0.00 -0.34 0.00 0.00 43.02 39.69 3n9m s PHE 611 CO 0.40 0.32 -0.02 0.71 -1.46 0.00 0.00 175.22 175.16 3n9m s TYR 612 N 0.19 2.49 -0.08 10.12 1.51 -1.26 -4.77 117.35 125.56 3n9m s TYR 612 Ca 0.17 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 3n9m s TYR 612 Cb -0.13 -1.49 -0.07 0.00 -0.11 0.00 0.00 41.96 40.16 3n9m s TYR 612 CO 0.05 0.50 2.06 0.12 -1.11 0.00 0.00 175.55 177.17 3n9m s PHE 613 N -2.57 1.26 0.20 2.71 5.36 -1.26 -4.88 117.98 118.80 3n9m s PHE 613 Ca 0.34 -0.02 -0.32 0.00 -0.96 0.00 0.00 56.93 55.97 3n9m s PHE 613 Cb 0.02 -4.11 -0.13 0.00 -0.34 0.00 0.00 43.02 38.47 3n9m s PHE 613 CO 0.18 -4.88 1.66 -2.30 -1.46 0.00 0.00 175.22 168.42 3n9m n PRO 614 N 8.05 2.56 -3.79 10.12 -0.02 -1.26 -2.64 135.00 148.02 3n9m n PRO 614 Ca 0.24 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 62.35 3n9m n PRO 614 Cb 0.43 -2.73 0.02 0.00 -0.02 0.00 0.00 33.50 31.19 3n9m n PRO 614 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n9m n ASN 615 N 3.57 -4.72 0.04 2.55 4.13 -1.26 -4.66 115.26 114.91 3n9m n ASN 615 Ca 0.15 -0.70 -0.12 0.00 1.68 0.00 0.00 54.58 55.60 3n9m n ASN 615 Cb 0.33 -3.79 -0.05 0.00 -1.54 0.00 0.00 39.78 34.73 3n9m n ASN 615 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3n9m h PHE 616 N -1.86 -0.98 -0.29 3.10 3.57 -1.90 -0.78 116.94 117.80 3n9m h PHE 616 Ca -0.55 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 60.92 3n9m h PHE 616 Cb 1.36 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 40.53 3n9m h PHE 616 CO 0.59 -0.44 -0.04 0.93 -2.23 0.00 0.00 178.31 177.12 3n9m h GLU 617 N -0.49 0.53 -0.54 1.11 5.08 -1.90 -2.85 114.58 115.53 3n9m h GLU 617 Ca 0.07 -0.19 0.11 0.00 -1.00 0.00 0.00 59.36 58.35 3n9m h GLU 617 Cb 0.59 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 3n9m h GLU 617 CO -0.31 0.71 -0.00 1.25 -1.00 0.00 0.00 179.01 179.66 3n9m h LEU 618 N 0.30 -0.24 -1.23 1.33 5.85 -1.86 -0.55 115.31 118.92 3n9m h LEU 618 Ca 0.08 0.13 0.12 0.00 0.84 0.00 0.00 57.88 59.04 3n9m h LEU 618 Cb 0.49 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3n9m h LEU 618 CO 0.02 -0.09 0.57 0.25 -0.34 0.00 0.00 178.44 178.86 3n9m h LEU 619 N 0.11 0.74 -0.32 2.25 6.46 -0.96 -0.17 115.31 123.44 3n9m h LEU 619 Ca 0.27 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.89 3n9m h LEU 619 Cb 0.42 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 3n9m h LEU 619 CO -0.45 0.41 -0.84 0.45 -0.62 0.00 0.00 178.44 177.38 3n9m h HIS 620 N 0.81 0.02 -0.10 1.25 3.86 -0.93 0.22 115.15 120.27 3n9m h HIS 620 Ca 0.43 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.62 3n9m h HIS 620 Cb 0.53 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3n9m h HIS 620 CO -0.00 0.85 0.01 -1.49 0.86 0.00 0.00 177.93 178.15 3n9m h TRP 621 N 0.01 0.18 -0.36 2.45 4.06 -0.17 -0.53 115.95 121.58 3n9m h TRP 621 Ca -0.01 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.92 3n9m h TRP 621 Cb 1.49 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 29.58 3n9m h TRP 621 CO 0.00 0.40 0.22 0.52 -3.56 0.00 0.00 178.44 176.02 3n9m h MET 622 N -0.09 0.44 0.53 0.49 2.86 -1.03 -1.07 114.93 117.06 3n9m h MET 622 Ca 0.03 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3n9m h MET 622 Cb 0.32 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.89 3n9m h MET 622 CO 0.00 0.29 -0.25 -0.92 1.06 0.00 0.00 176.91 177.10 3n9m h TYR 623 N 0.46 -0.65 -1.00 -0.22 5.03 -0.91 0.25 116.97 119.93 3n9m h TYR 623 Ca 0.14 -0.02 0.18 0.00 2.58 0.00 0.00 58.73 61.61 3n9m h TYR 623 Cb -0.03 0.22 -0.10 0.00 1.55 0.00 0.00 36.73 38.36 3n9m h TYR 623 CO -0.06 -0.40 0.60 1.98 -1.32 0.00 0.00 178.16 178.96 3n9m h MET 624 N -0.72 0.75 0.01 1.82 4.05 -1.00 -0.14 114.93 119.70 3n9m h MET 624 Ca -0.07 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 3n9m h MET 624 Cb 0.55 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 3n9m h MET 624 CO 0.12 0.50 -0.10 -0.09 0.23 0.00 0.00 176.91 177.56 3n9m h ARG 625 N 0.78 0.05 0.00 0.39 2.43 -0.83 0.85 114.38 118.05 3n9m h ARG 625 Ca 0.57 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 3n9m h ARG 625 Cb 0.85 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3n9m h ARG 625 CO -0.37 0.94 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.84 3n9m h ASN 626 N -0.81 0.00 0.00 -3.80 4.21 -0.36 -3.38 115.58 111.44 3n9m h ASN 626 Ca -0.02 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3n9m h ASN 626 Cb 0.99 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.19 3n9m h ASN 626 CO 0.02 0.02 0.00 0.52 -1.29 0.00 0.00 177.43 176.70 3n9m n VAL 627 N -2.58 0.00 0.10 2.81 0.31 -0.08 -4.76 118.33 114.12 3n9m n VAL 627 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 3n9m n VAL 627 Cb 0.48 -0.62 -0.06 0.00 -0.91 0.00 0.00 33.84 32.73 3n9m n VAL 627 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3n9m h LEU 628 N 0.00 -0.96 -0.68 7.52 4.07 -1.58 -1.92 115.31 121.76 3n9m h LEU 628 Ca 0.00 0.12 0.14 0.00 0.08 0.00 0.00 57.88 58.22 3n9m h LEU 628 Cb 0.00 0.37 -0.11 0.00 1.08 0.00 0.00 40.66 42.01 3n9m h LEU 628 CO 0.00 -0.41 0.09 0.25 -1.08 0.00 0.00 178.44 177.29 3n9m h LEU 629 N -0.53 -0.13 -0.77 1.67 6.46 -1.04 -0.41 115.31 120.56 3n9m h LEU 629 Ca 0.04 0.15 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 3n9m h LEU 629 Cb 0.58 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 3n9m h LEU 629 CO -0.22 -0.08 -0.12 -0.08 -0.62 0.00 0.00 178.44 177.33 3n9m h GLU 630 N 0.19 0.80 -0.56 1.25 4.81 -1.67 0.35 114.58 119.75 3n9m h GLU 630 Ca 0.37 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3n9m h GLU 630 Cb 0.61 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3n9m h GLU 630 CO -0.52 0.89 0.33 0.87 -0.73 0.00 0.00 179.01 179.84 3n9m h LYS 631 N 0.72 0.77 -0.31 1.92 1.79 -0.39 -1.08 116.57 119.98 3n9m h LYS 631 Ca 0.12 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 3n9m h LYS 631 Cb 0.61 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3n9m h LYS 631 CO 0.04 0.57 -0.11 0.82 -1.08 0.00 0.00 179.45 179.70 3n9m h ILE 632 N 0.76 1.29 0.04 1.86 2.04 -0.67 -1.95 117.51 120.88 3n9m h ILE 632 Ca 0.20 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3n9m h ILE 632 Cb 0.01 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3n9m h ILE 632 CO -0.04 0.38 -0.02 0.74 0.00 0.00 0.00 178.15 179.22 3n9m h THR 633 N 0.39 0.98 -0.40 -0.27 2.02 -0.87 0.92 112.91 115.69 3n9m h THR 633 Ca 0.08 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.27 3n9m h THR 633 Cb 0.61 1.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 3n9m h THR 633 CO 0.04 0.02 -0.14 -0.33 0.37 0.00 0.00 175.52 175.48 3n9m h GLU 634 N -0.08 -0.05 -0.79 6.66 5.08 -1.16 0.13 114.58 124.37 3n9m h GLU 634 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3n9m h GLU 634 Cb 0.07 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3n9m h GLU 634 CO 0.01 -0.03 0.52 0.00 -1.00 0.00 0.00 179.01 178.51 3n9m h ALA 635 N 1.30 1.02 -0.37 3.43 0.00 -1.13 -2.39 119.26 121.12 3n9m h ALA 635 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3n9m h ALA 635 Cb 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3n9m h ALA 635 CO -0.44 0.39 0.08 -0.91 0.00 0.00 0.00 179.25 178.37 3n9m h ASN 636 N 1.05 0.50 -0.35 0.00 2.35 0.74 0.23 115.58 120.09 3n9m h ASN 636 Ca 0.30 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 3n9m h ASN 636 Cb -0.08 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 3n9m h ASN 636 CO -0.08 0.51 -0.42 1.56 -1.65 0.00 0.00 177.43 177.35 3n9m h GLN 637 N 0.53 0.90 -0.61 0.81 4.20 -0.30 -2.92 115.11 117.73 3n9m h GLN 637 Ca 0.12 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.33 3n9m h GLN 637 Cb 0.22 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3n9m h GLN 637 CO -0.00 1.15 0.00 -0.85 -0.67 0.00 0.00 178.83 178.46 3n9m n GLU 638 N -4.07 4.59 -3.16 1.46 0.28 -1.13 -4.95 120.64 113.67 3n9m n GLU 638 Ca -0.03 -3.06 -0.22 0.00 -0.16 0.00 0.00 57.16 53.69 3n9m n GLU 638 Cb 0.56 -2.17 0.05 0.00 1.43 0.00 0.00 31.44 31.31 3n9m n GLU 638 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n9m n GLY 639 N 0.76 -0.47 3.76 -1.84 0.00 -0.75 -4.98 105.19 101.66 3n9m n GLY 639 Ca 0.27 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 3n9m n GLY 639 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n9m s SER 640 N -2.90 7.19 -0.63 1.61 0.01 0.73 -5.01 113.70 114.70 3n9m s SER 640 Ca 0.37 1.42 -0.26 0.00 1.31 0.00 0.00 55.95 58.80 3n9m s SER 640 Cb -0.17 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.66 3n9m s SER 640 CO 0.46 0.09 1.10 -0.62 0.41 0.00 0.00 173.24 174.68 3n9m s ASP 641 N -0.38 6.28 0.12 2.44 -1.08 -1.26 -4.57 116.67 118.23 3n9m s ASP 641 Ca 0.36 -0.39 0.07 0.00 -0.52 0.00 0.00 52.55 52.07 3n9m s ASP 641 Cb -0.21 -2.50 0.38 0.00 -1.46 0.00 0.00 42.92 39.14 3n9m s ASP 641 CO 0.22 -1.50 1.15 0.23 0.52 0.00 0.00 175.17 175.79 3n9m n MET 642 N 8.29 0.05 0.25 4.34 2.81 -1.26 -1.59 117.12 130.00 3n9m n MET 642 Ca 0.03 0.50 0.14 0.00 -1.81 0.00 0.00 57.70 56.56 3n9m n MET 642 Cb 0.48 -1.74 0.46 0.00 -0.71 0.00 0.00 33.22 31.71 3n9m n MET 642 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3n9m h ARG 643 N 0.00 0.00 -0.07 0.03 -0.00 -1.91 0.92 114.38 113.35 3n9m h ARG 643 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 3n9m h ARG 643 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.15 3n9m h ARG 643 CO 0.00 0.03 0.01 0.93 0.00 0.00 0.00 179.97 180.94 3n9m h GLU 644 N 0.00 0.13 0.00 0.04 4.39 -1.72 -3.37 114.58 114.05 3n9m h GLU 644 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3n9m h GLU 644 Cb 0.73 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3n9m h GLU 644 CO 0.00 0.38 0.00 1.04 -1.16 0.00 0.00 179.01 179.27 3n9m n GLN 645 N -4.86 1.80 -1.99 2.33 1.13 -1.24 -4.82 117.38 109.72 3n9m n GLN 645 Ca -0.07 -0.02 -0.05 0.00 -1.94 0.00 0.00 57.00 54.93 3n9m n GLN 645 Cb 0.18 -0.23 0.06 0.00 0.11 0.00 0.00 30.24 30.36 3n9m n GLN 645 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3n9m n GLU 646 N -0.26 1.85 0.05 -1.09 1.02 0.12 -4.88 120.64 117.44 3n9m n GLU 646 Ca 0.00 -3.33 -0.11 0.00 -0.02 0.00 0.00 57.16 53.70 3n9m n GLU 646 Cb 0.03 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 3n9m n GLU 646 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3n9m h LYS 647 N 1.90 -0.26 -0.99 3.49 3.64 -1.15 -1.18 116.57 122.03 3n9m h LYS 647 Ca -0.00 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.61 3n9m h LYS 647 Cb 1.43 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 33.22 3n9m h LYS 647 CO 0.29 -0.17 0.62 -2.95 -2.27 0.00 0.00 179.45 174.97 3n9m h ASN 648 N -0.27 0.59 -0.27 4.20 7.08 -1.90 0.38 115.58 125.40 3n9m h ASN 648 Ca 0.05 0.08 -0.14 0.00 -3.08 0.00 0.00 56.30 53.21 3n9m h ASN 648 Cb 0.34 -0.02 -0.00 0.00 -2.08 0.00 0.00 38.32 36.55 3n9m h ASN 648 CO -0.16 0.19 -0.39 0.40 -2.08 0.00 0.00 177.43 175.39 3n9m h ILE 649 N 0.57 1.30 0.56 6.14 1.08 -1.76 -2.71 117.51 122.70 3n9m h ILE 649 Ca 0.56 -1.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 3n9m h ILE 649 Cb 1.15 1.67 0.01 0.00 -3.07 0.00 0.00 36.82 36.57 3n9m h ILE 649 CO -0.31 0.51 -0.27 -0.25 -0.69 0.00 0.00 178.15 177.14 3n9m h TRP 650 N 0.47 -0.70 0.00 1.37 2.91 0.20 -1.44 115.95 118.76 3n9m h TRP 650 Ca 0.03 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.98 3n9m h TRP 650 Cb 0.98 0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.86 3n9m h TRP 650 CO 0.08 -0.39 -0.22 1.79 -1.03 0.00 0.00 178.44 178.67 3n9m h THR 651 N -0.88 1.15 -0.33 2.65 1.35 -1.18 -1.05 112.91 114.62 3n9m h THR 651 Ca -0.08 -0.77 -0.11 0.00 -0.55 0.00 0.00 66.41 64.91 3n9m h THR 651 Cb 0.63 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3n9m h THR 651 CO 0.13 0.22 -0.24 0.00 -0.25 0.00 0.00 175.52 175.38 3n9m h ALA 652 N 1.78 0.97 -0.67 6.62 0.00 -1.38 -2.44 119.26 124.15 3n9m h ALA 652 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3n9m h ALA 652 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3n9m h ALA 652 CO 0.03 0.60 0.17 0.77 0.00 0.00 0.00 179.25 180.82 3n9m h SER 653 N 0.56 1.01 -0.42 0.00 0.02 -0.08 -1.43 113.55 113.21 3n9m h SER 653 Ca 0.08 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3n9m h SER 653 Cb 0.71 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3n9m h SER 653 CO 0.05 0.97 0.09 1.56 -1.14 0.00 0.00 176.83 178.37 3n9m h GLN 654 N 0.99 0.68 -0.20 3.45 4.20 -1.29 -0.33 115.11 122.61 3n9m h GLN 654 Ca 0.21 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3n9m h GLN 654 Cb 0.36 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3n9m h GLN 654 CO 0.00 0.70 -0.01 0.82 -0.67 0.00 0.00 178.83 179.67 3n9m h ILE 655 N 0.54 1.26 -0.62 2.54 2.04 -1.35 -1.73 117.51 120.20 3n9m h ILE 655 Ca 0.13 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 3n9m h ILE 655 Cb 0.33 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3n9m h ILE 655 CO 0.00 0.28 0.19 -0.03 0.00 0.00 0.00 178.15 178.59 3n9m h MET 656 N 0.12 0.94 -0.56 2.37 4.05 -1.23 -2.43 114.93 118.19 3n9m h MET 656 Ca 0.06 -0.18 -0.06 0.00 -0.28 0.00 0.00 59.70 59.23 3n9m h MET 656 Cb 0.43 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 3n9m h MET 656 CO 0.01 0.81 0.11 -0.22 0.23 0.00 0.00 176.91 177.86 3n9m h LYS 657 N 0.91 0.91 -0.42 0.39 3.64 -0.95 -1.29 116.57 119.76 3n9m h LYS 657 Ca 0.20 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3n9m h LYS 657 Cb 0.27 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3n9m h LYS 657 CO -0.01 0.86 0.28 0.00 -2.27 0.00 0.00 179.45 178.31 3n9m h ALA 658 N 1.01 0.54 -0.47 5.00 0.00 -0.99 0.38 119.26 124.73 3n9m h ALA 658 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3n9m h ALA 658 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3n9m h ALA 658 CO 0.01 -0.00 0.20 1.49 0.00 0.00 0.00 179.25 180.95 3n9m h GLU 659 N 0.57 0.69 0.00 0.00 4.57 -1.32 -2.68 114.58 116.40 3n9m h GLU 659 Ca 0.15 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3n9m h GLU 659 Cb -0.05 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3n9m h GLU 659 CO -0.03 0.61 -0.18 0.52 -1.18 0.00 0.00 179.01 178.74 3n9m h MET 660 N 0.61 0.00 0.15 1.92 2.86 -0.85 -1.88 114.93 117.74 3n9m h MET 660 Ca 0.16 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3n9m h MET 660 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3n9m h MET 660 CO -0.02 0.18 -0.07 0.93 1.06 0.00 0.00 176.91 178.99 3n9m h GLU 661 N 0.00 -0.20 -0.35 1.72 4.39 -0.61 -0.38 114.58 119.15 3n9m h GLU 661 Ca -0.00 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.81 3n9m h GLU 661 Cb 0.40 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3n9m h GLU 661 CO 0.02 0.00 0.30 -0.09 -1.16 0.00 0.00 179.01 178.08 3n9m h ARG 662 N -0.37 0.00 -0.11 2.33 2.43 -1.14 0.61 114.38 118.13 3n9m h ARG 662 Ca -0.02 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 3n9m h ARG 662 Cb 0.29 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3n9m h ARG 662 CO 0.03 0.00 -0.50 -1.49 -1.51 0.00 0.00 179.97 176.50 3n9m h TRP 663 N 0.00 0.72 -0.24 2.20 6.55 -0.72 -2.54 115.95 121.92 3n9m h TRP 663 Ca 0.17 -0.31 -0.01 0.00 0.95 0.00 0.00 58.89 59.68 3n9m h TRP 663 Cb 0.76 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.94 3n9m h TRP 663 CO 0.00 1.09 0.10 0.52 -1.05 0.00 0.00 178.44 179.10 3n9m h MET 664 N 0.15 0.36 -0.95 0.49 2.86 0.65 -1.65 114.93 116.84 3n9m h MET 664 Ca -0.03 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3n9m h MET 664 Cb 1.14 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 3n9m h MET 664 CO 0.10 0.40 0.62 0.22 1.06 0.00 0.00 176.91 179.31 3n9m h ASP 665 N 0.25 1.03 -0.16 1.22 3.58 -1.05 -1.31 116.42 119.97 3n9m h ASP 665 Ca 0.08 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 3n9m h ASP 665 Cb 0.17 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 3n9m h ASP 665 CO -0.01 0.71 -0.12 -0.09 -2.88 0.00 0.00 179.24 176.85 3n9m h ARG 666 N 1.20 0.53 -0.02 0.28 2.43 -1.21 -2.68 114.38 114.91 3n9m h ARG 666 Ca 0.38 -0.15 -0.18 0.00 -0.81 0.00 0.00 59.98 59.21 3n9m h ARG 666 Cb -0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3n9m h ARG 666 CO -0.12 0.64 -0.78 1.49 -1.51 0.00 0.00 179.97 179.69 3n9m h GLU 667 N 0.49 0.21 0.00 0.20 4.81 -0.35 -1.75 114.58 118.18 3n9m h GLU 667 Ca 0.09 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3n9m h GLU 667 Cb 0.50 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3n9m h GLU 667 CO 0.03 0.89 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.86 3n9m h LEU 668 N 0.13 0.00 0.00 1.64 3.38 -1.15 0.10 115.31 119.42 3n9m h LEU 668 Ca -0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 3n9m h LEU 668 Cb 1.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 3n9m h LEU 668 CO 0.12 0.26 -1.96 0.54 0.09 0.00 0.00 178.44 177.49 3n9m n ARG 669 N -3.16 0.65 0.00 1.13 1.74 -1.02 -4.59 116.66 111.41 3n9m n ARG 669 Ca 0.03 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3n9m n ARG 669 Cb 0.64 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3n9m n ARG 669 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3n9m n LEU 670 N -2.96 0.44 0.00 0.55 4.77 -0.66 -5.11 117.00 114.03 3n9m n LEU 670 Ca -0.23 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3n9m n LEU 670 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 3n9m n LEU 670 CO 0.44 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3n9m n GLY 671 N 0.48 -1.19 3.77 -0.72 0.00 0.35 -4.97 105.19 102.91 3n9m n GLY 671 Ca 0.00 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 3n9m n GLY 671 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n9m s PRO 672 N -2.37 4.10 0.72 1.61 0.02 -1.26 -4.49 135.00 133.33 3n9m s PRO 672 Ca 0.00 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 62.83 3n9m s PRO 672 Cb 0.00 -2.78 -0.06 0.00 0.02 0.00 0.00 34.50 31.68 3n9m s PRO 672 CO 0.00 -0.32 0.32 0.39 -0.33 0.00 0.00 177.00 177.06 3n9m n GLU 673 N 0.25 0.22 -0.32 5.54 4.71 -1.26 -4.88 120.64 124.90 3n9m n GLU 673 Ca 0.03 0.10 0.01 0.00 -0.01 0.00 0.00 57.16 57.30 3n9m n GLU 673 Cb 0.45 -1.64 0.15 0.00 -1.01 0.00 0.00 31.44 29.39 3n9m n GLU 673 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3n9m h LYS 674 N -0.40 0.96 0.00 3.49 1.57 -2.01 -3.33 116.57 116.84 3n9m h LYS 674 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3n9m h LYS 674 Cb 1.36 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3n9m h LYS 674 CO 0.41 0.64 0.00 0.27 -0.57 0.00 0.00 179.45 180.19 3n9m n ASN 675 N -4.61 0.00 0.00 0.86 2.04 -1.26 -4.86 115.26 107.43 3n9m n ASN 675 Ca 0.13 0.26 0.00 0.00 -0.44 0.00 0.00 54.58 54.54 3n9m n ASN 675 Cb 0.19 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 3n9m n ASN 675 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3n9m n ALA 676 N -0.66 0.00 0.00 -2.53 0.00 -1.25 -4.82 120.51 111.24 3n9m n ALA 676 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3n9m n ALA 676 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3n9m n ALA 676 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3n9m n ILE 677 N 0.00 0.00 -4.17 0.00 5.41 -1.26 -4.88 119.36 114.46 3n9m n ILE 677 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 3n9m n ILE 677 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.79 3n9m n ILE 677 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3n9m s LEU 678 N 0.00 2.92 0.34 1.39 1.98 -1.26 -5.09 118.68 118.96 3n9m s LEU 678 Ca 0.00 -0.33 -0.29 0.00 -2.89 0.00 0.00 54.13 50.62 3n9m s LEU 678 Cb 0.00 -1.72 -0.11 0.00 0.66 0.00 0.00 46.19 45.02 3n9m s LEU 678 CO 0.00 0.05 1.44 -2.84 -1.89 0.00 0.00 176.35 173.11 3n9m s PRO 679 N 1.06 4.20 0.56 0.98 0.02 -1.26 -4.85 135.00 135.71 3n9m s PRO 679 Ca 0.01 2.44 0.28 0.00 0.02 0.00 0.00 61.00 63.75 3n9m s PRO 679 Cb -0.15 -3.02 1.47 0.00 0.02 0.00 0.00 34.50 32.82 3n9m s PRO 679 CO -0.00 -0.43 1.94 1.15 -0.33 0.00 0.00 177.00 179.33 3n9m h THR 680 N 3.09 0.54 0.70 0.99 2.02 -1.99 -1.42 112.91 116.83 3n9m h THR 680 Ca -0.49 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 3n9m h THR 680 Cb 1.23 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 3n9m h THR 680 CO 0.67 0.00 -0.33 -0.78 0.37 0.00 0.00 175.52 175.45 3n9m h ASP 681 N 0.00 -0.79 -0.87 4.18 -0.00 -1.99 -2.09 116.42 114.85 3n9m h ASP 681 Ca 0.27 0.03 0.11 0.00 -0.00 0.00 0.00 57.03 57.44 3n9m h ASP 681 Cb 1.21 0.21 -0.08 0.00 -0.00 0.00 0.00 39.33 40.66 3n9m h ASP 681 CO -0.00 -0.49 0.50 0.44 -0.00 0.00 0.00 179.24 179.69 3n9m h ASP 682 N -1.09 0.70 0.00 2.28 5.19 -1.70 0.13 116.42 121.93 3n9m h ASP 682 Ca -0.10 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3n9m h ASP 682 Cb 0.72 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.12 3n9m h ASP 682 CO 0.16 0.37 -0.21 0.11 -3.12 0.00 0.00 179.24 176.54 3n9m h LYS 683 N 0.79 -0.33 -0.11 3.56 1.57 -1.32 -0.79 116.57 119.96 3n9m h LYS 683 Ca 0.44 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 3n9m h LYS 683 Cb 0.47 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3n9m h LYS 683 CO -0.28 -0.22 -0.14 -0.97 -0.57 0.00 0.00 179.45 177.27 3n9m h ASN 684 N -0.34 0.15 0.71 0.86 -0.00 -0.58 0.10 115.58 116.49 3n9m h ASN 684 Ca 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 3n9m h ASN 684 Cb 0.41 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 3n9m h ASN 684 CO -0.19 0.31 0.00 0.29 -0.00 0.00 0.00 177.43 177.84 3n9m n LYS 685 N -4.29 0.14 -0.10 6.67 5.02 -0.06 -2.86 118.16 122.68 3n9m n LYS 685 Ca -0.01 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 3n9m n LYS 685 Cb 0.26 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 3n9m n LYS 685 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3n9m n ILE 686 N -1.42 1.57 0.71 -0.18 5.41 -0.15 -3.96 119.36 121.35 3n9m n ILE 686 Ca 0.08 -0.54 0.07 0.00 1.00 0.00 0.00 62.75 63.37 3n9m n ILE 686 Cb 0.26 -1.60 0.37 0.00 -0.71 0.00 0.00 39.64 37.96 3n9m n ILE 686 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 3n9m n MET 687 N -3.52 0.26 -0.07 0.38 2.81 0.17 -2.05 117.12 115.11 3n9m n MET 687 Ca -0.43 0.12 -0.09 0.00 -1.81 0.00 0.00 57.70 55.49 3n9m n MET 687 Cb 0.97 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.91 3n9m n MET 687 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3n9m n ILE 688 N -1.22 0.83 0.27 2.02 5.41 -1.13 -3.02 119.36 122.52 3n9m n ILE 688 Ca 0.08 -0.37 0.12 0.00 1.00 0.00 0.00 62.75 63.57 3n9m n ILE 688 Cb 0.10 -0.92 0.76 0.00 -0.71 0.00 0.00 39.64 38.86 3n9m n ILE 688 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3n9m h SER 689 N 0.00 0.00 0.03 4.38 0.87 -1.66 -2.11 113.55 115.06 3n9m h SER 689 Ca -0.33 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.18 3n9m h SER 689 Cb 1.57 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.54 3n9m h SER 689 CO -0.03 0.08 -0.25 0.58 -0.53 0.00 0.00 176.83 176.68 3n9m h VAL 690 N 0.00 1.67 -0.78 2.23 2.07 -1.58 -3.01 116.25 116.86 3n9m h VAL 690 Ca -0.00 -2.28 0.12 0.00 0.82 0.00 0.00 66.70 65.36 3n9m h VAL 690 Cb 0.21 3.19 -0.08 0.00 -1.52 0.00 0.00 31.29 33.08 3n9m h VAL 690 CO 0.01 0.61 0.38 0.03 0.02 0.00 0.00 177.57 178.62 3n9m h ARG 691 N -0.73 0.57 0.73 1.57 3.08 -1.43 -1.48 114.38 116.69 3n9m h ARG 691 Ca -0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3n9m h ARG 691 Cb 1.15 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.08 3n9m h ARG 691 CO 0.05 0.38 -0.35 -0.22 -1.07 0.00 0.00 179.97 178.75 3n9m h LYS 692 N 0.59 -0.94 -0.84 0.04 1.63 -1.48 -1.83 116.57 113.72 3n9m h LYS 692 Ca 0.41 0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.25 3n9m h LYS 692 Cb 0.52 0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.33 3n9m h LYS 692 CO -0.33 -0.61 0.44 1.96 -3.45 0.00 0.00 179.45 177.46 3n9m h GLN 693 N -1.08 1.19 -0.59 1.90 1.08 -1.37 0.25 115.11 116.49 3n9m h GLN 693 Ca -0.10 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 56.87 3n9m h GLN 693 Cb 0.77 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 3n9m h GLN 693 CO 0.16 0.89 0.04 0.82 -0.95 0.00 0.00 178.83 179.79 3n9m h ILE 694 N 1.19 1.26 -0.60 2.54 2.04 -1.31 -0.49 117.51 122.13 3n9m h ILE 694 Ca 0.29 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 3n9m h ILE 694 Cb 0.06 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3n9m h ILE 694 CO -0.04 0.39 0.17 -0.08 0.00 0.00 0.00 178.15 178.59 3n9m h GLU 695 N 0.92 0.95 0.51 2.37 4.57 -0.55 -1.01 114.58 122.34 3n9m h GLU 695 Ca 0.18 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3n9m h GLU 695 Cb 0.48 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3n9m h GLU 695 CO 0.02 0.85 -0.25 0.82 -1.18 0.00 0.00 179.01 179.28 3n9m h ILE 696 N 0.86 0.43 -0.96 2.32 2.04 -0.76 -2.68 117.51 118.77 3n9m h ILE 696 Ca 0.19 -0.30 0.20 0.00 1.00 0.00 0.00 64.86 65.96 3n9m h ILE 696 Cb 0.31 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 3n9m h ILE 696 CO -0.00 0.04 0.61 -0.61 0.00 0.00 0.00 178.15 178.20 3n9m h GLN 697 N -0.89 0.51 -0.33 2.37 5.75 -1.08 0.18 115.11 121.62 3n9m h GLN 697 Ca -0.07 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3n9m h GLN 697 Cb 0.60 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 3n9m h GLN 697 CO 0.12 0.34 0.07 1.15 -2.65 0.00 0.00 178.83 177.85 3n9m h THR 698 N 0.53 1.16 -0.17 2.39 2.02 -1.01 -2.13 112.91 115.70 3n9m h THR 698 Ca 0.52 -0.58 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 3n9m h THR 698 Cb 1.11 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3n9m h THR 698 CO -0.25 0.21 -0.57 0.11 0.37 0.00 0.00 175.52 175.39 3n9m h LYS 699 N 0.48 0.69 -0.57 6.66 1.57 -0.34 -2.46 116.57 122.59 3n9m h LYS 699 Ca 0.11 -0.51 0.07 0.00 -1.87 0.00 0.00 60.65 58.45 3n9m h LYS 699 Cb 0.21 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 3n9m h LYS 699 CO -0.00 1.13 0.25 0.82 -0.57 0.00 0.00 179.45 181.08 3n9m h ILE 700 N 0.38 0.87 -0.55 1.86 2.04 -1.02 0.14 117.51 121.23 3n9m h ILE 700 Ca -0.02 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3n9m h ILE 700 Cb 1.19 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3n9m h ILE 700 CO 0.12 0.09 0.12 1.56 0.00 0.00 0.00 178.15 180.04 3n9m h GLN 701 N 0.47 0.86 0.00 2.37 4.20 -1.38 -2.02 115.11 119.61 3n9m h GLN 701 Ca 0.27 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3n9m h GLN 701 Cb 0.26 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3n9m h GLN 701 CO -0.23 0.78 0.00 -0.91 -0.67 0.00 0.00 178.83 177.80 3n9m h ASN 702 N 0.82 0.00 -0.49 1.46 4.21 -0.76 -3.07 115.58 117.75 3n9m h ASN 702 Ca 0.18 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.70 3n9m h ASN 702 Cb 0.32 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 3n9m h ASN 702 CO 0.00 0.00 0.32 0.00 -1.29 0.00 0.00 177.43 176.46 3n9m h ALA 703 N 2.17 1.70 0.00 -0.83 0.00 0.02 0.21 119.26 122.52 3n9m h ALA 703 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3n9m h ALA 703 Cb 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3n9m h ALA 703 CO 0.00 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.14 3n9m n LYS 704 N -4.47 0.71 -2.28 0.00 5.02 -1.16 -4.67 118.16 111.31 3n9m n LYS 704 Ca 0.05 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 3n9m n LYS 704 Cb 0.09 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 3n9m n LYS 704 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3n9m s ASN 705 N -2.19 6.61 0.00 4.39 0.01 0.72 -5.17 114.94 119.32 3n9m s ASN 705 Ca 0.37 1.51 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 3n9m s ASN 705 Cb 0.19 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.31 3n9m s ASN 705 CO 0.35 -1.08 0.00 0.29 -1.51 0.00 0.00 177.10 175.15