#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjd h GLU 227 N 0.00 0.62 0.00 -0.78 4.57 -2.04 -2.67 114.58 114.28 3kjd h GLU 227 Ca 0.00 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3kjd h GLU 227 Cb 0.00 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3kjd h GLU 227 CO 0.00 0.41 -0.13 -0.91 -1.18 0.00 0.00 179.01 177.20 3kjd h ASN 228 N 0.64 0.00 0.82 1.04 -0.26 -1.98 -0.05 115.58 115.79 3kjd h ASN 228 Ca 0.21 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.91 3kjd h ASN 228 Cb 0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3kjd h ASN 228 CO -0.05 0.13 -0.23 -0.07 -1.06 0.00 0.00 177.43 176.14 3kjd h LEU 229 N 0.00 0.00 0.01 1.61 3.38 -1.92 -1.91 115.31 116.48 3kjd h LEU 229 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3kjd h LEU 229 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3kjd h LEU 229 CO 0.02 0.23 -1.71 -1.22 0.09 0.00 0.00 178.44 175.85 3kjd n TYR 230 N -3.45 0.74 0.45 1.13 4.01 -0.57 -4.78 117.16 114.70 3kjd n TYR 230 Ca -0.00 0.30 0.05 0.00 -0.16 0.00 0.00 57.90 58.08 3kjd n TYR 230 Cb 0.41 -1.08 -0.06 0.00 -0.31 0.00 0.00 39.34 38.30 3kjd n TYR 230 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kjd n PHE 231 N -4.26 0.00 -3.34 -0.72 3.72 -0.14 -5.07 117.46 107.65 3kjd n PHE 231 Ca -0.39 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 56.87 3kjd n PHE 231 Cb 0.78 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.33 3kjd n PHE 231 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kjd n GLN 232 N -1.30 -1.59 -2.29 -1.08 10.64 -0.72 -5.00 117.38 116.04 3kjd n GLN 232 Ca 0.02 0.98 -0.29 0.00 -1.83 0.00 0.00 57.00 55.88 3kjd n GLN 232 Cb 0.17 -5.01 0.01 0.00 -0.86 0.00 0.00 30.24 24.55 3kjd n GLN 232 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3kjd s SER 233 N -3.22 6.09 0.17 2.61 0.01 -1.26 -5.02 113.70 113.07 3kjd s SER 233 Ca 0.25 1.07 -0.32 0.00 1.31 0.00 0.00 55.95 58.27 3kjd s SER 233 Cb -0.06 -2.21 -0.12 0.00 0.21 0.00 0.00 66.02 63.84 3kjd s SER 233 CO 0.79 -0.81 1.77 0.80 0.41 0.00 0.00 173.24 176.20 3kjd n MET 234 N -2.53 2.76 -1.57 12.44 0.00 -1.26 -4.90 117.12 122.07 3kjd n MET 234 Ca 0.03 1.00 -0.47 0.00 -0.00 0.00 0.00 57.70 58.27 3kjd n MET 234 Cb 0.55 -2.87 -0.03 0.00 0.00 0.00 0.00 33.22 30.88 3kjd n MET 234 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3kjd n ASP 235 N 4.66 1.09 -0.04 6.12 -0.08 -1.26 -4.71 116.55 122.32 3kjd n ASP 235 Ca 0.17 1.16 0.11 0.00 -1.51 0.00 0.00 54.79 54.72 3kjd n ASP 235 Cb 0.36 -1.23 0.52 0.00 2.34 0.00 0.00 41.12 43.11 3kjd n ASP 235 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3kjd h LEU 236 N 2.49 0.31 -0.76 -2.67 5.85 -1.99 -1.34 115.31 117.19 3kjd h LEU 236 Ca -0.40 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 3kjd h LEU 236 Cb 1.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3kjd h LEU 236 CO 0.64 0.20 -0.58 0.03 -0.34 0.00 0.00 178.44 178.39 3kjd h ARG 237 N 0.35 0.13 -0.13 1.25 3.08 -2.00 -1.27 114.38 115.80 3kjd h ARG 237 Ca 0.24 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3kjd h ARG 237 Cb 0.47 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.54 3kjd h ARG 237 CO -0.06 0.67 -0.48 0.28 -1.07 0.00 0.00 179.97 179.32 3kjd h VAL 238 N 0.10 1.35 -0.35 2.04 2.07 -1.65 -2.12 116.25 117.68 3kjd h VAL 238 Ca -0.00 -1.77 0.06 0.00 0.82 0.00 0.00 66.70 65.81 3kjd h VAL 238 Cb 1.05 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 3kjd h VAL 238 CO 0.08 0.54 0.00 1.56 0.02 0.00 0.00 177.57 179.77 3kjd h GLN 239 N 0.18 0.10 -0.47 1.57 4.20 -1.09 -0.04 115.11 119.56 3kjd h GLN 239 Ca -0.02 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3kjd h GLN 239 Cb 1.11 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 3kjd h GLN 239 CO 0.10 0.07 -0.00 0.93 -0.67 0.00 0.00 178.83 179.25 3kjd h GLU 240 N 0.10 0.77 -0.34 1.46 4.39 -1.25 0.15 114.58 119.86 3kjd h GLU 240 Ca 0.17 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3kjd h GLU 240 Cb 0.23 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3kjd h GLU 240 CO -0.28 0.78 0.20 1.25 -1.16 0.00 0.00 179.01 179.80 3kjd h LEU 241 N 0.72 0.33 -0.36 1.33 5.85 -0.98 -1.11 115.31 121.09 3kjd h LEU 241 Ca 0.14 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3kjd h LEU 241 Cb 0.44 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3kjd h LEU 241 CO 0.02 0.24 -0.10 0.40 -0.34 0.00 0.00 178.44 178.65 3kjd h ILE 242 N 0.41 1.28 -0.90 4.05 1.08 -0.55 -1.40 117.51 121.48 3kjd h ILE 242 Ca 0.13 -1.18 0.06 0.00 -0.39 0.00 0.00 64.86 63.48 3kjd h ILE 242 Cb -0.00 1.31 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 3kjd h ILE 242 CO -0.06 0.39 0.56 0.11 -0.69 0.00 0.00 178.15 178.47 3kjd h LYS 243 N 0.49 1.00 0.52 2.37 1.57 -0.93 -1.06 116.57 120.53 3kjd h LYS 243 Ca 0.09 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3kjd h LYS 243 Cb 0.62 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.71 3kjd h LYS 243 CO 0.04 0.66 -0.25 1.25 -0.57 0.00 0.00 179.45 180.58 3kjd h LEU 244 N 1.03 -0.59 -0.99 2.94 5.85 -0.61 -3.11 115.31 119.83 3kjd h LEU 244 Ca 0.39 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.98 3kjd h LEU 244 Cb 0.17 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3kjd h LEU 244 CO -0.17 -0.25 -0.33 0.16 -0.34 0.00 0.00 178.44 177.51 3kjd h ILE 245 N -0.95 0.78 -0.11 4.05 3.07 -1.20 -3.04 117.51 120.12 3kjd h ILE 245 Ca -0.07 -1.39 0.00 0.00 1.55 0.00 0.00 64.86 64.95 3kjd h ILE 245 Cb 0.61 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 3kjd h ILE 245 CO 0.12 0.32 0.00 0.00 -1.05 0.00 0.00 178.15 177.54 3kjd s ASN 247 N -1.56 5.95 0.23 0.00 3.84 -1.15 -4.87 114.94 117.38 3kjd s ASN 247 Ca 0.30 0.41 0.01 0.00 0.21 0.00 0.00 52.86 53.79 3kjd s ASN 247 Cb 0.16 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.55 3kjd s ASN 247 CO 0.24 -1.83 1.57 0.58 -2.79 0.00 0.00 177.10 174.88 3kjd h VAL 248 N 6.51 1.33 -0.45 -5.21 2.07 -1.92 -2.87 116.25 115.72 3kjd h VAL 248 Ca -0.27 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 65.55 3kjd h VAL 248 Cb 1.11 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 3kjd h VAL 248 CO 1.17 0.53 0.22 -0.61 0.02 0.00 0.00 177.57 178.90 3kjd h GLN 249 N 0.34 0.42 -0.96 1.57 5.75 -2.00 -1.37 115.11 118.86 3kjd h GLN 249 Ca 0.01 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.55 3kjd h GLN 249 Cb 1.00 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.39 3kjd h GLN 249 CO 0.09 0.28 0.63 0.00 -2.65 0.00 0.00 178.83 177.17 3kjd h ALA 250 N 1.24 1.45 -0.53 3.38 0.00 -1.93 -1.56 119.26 121.31 3kjd h ALA 250 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kjd h ALA 250 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kjd h ALA 250 CO -0.14 0.41 0.24 0.52 0.00 0.00 0.00 179.25 180.28 3kjd h MET 251 N 1.12 0.78 -0.26 0.00 2.86 -1.14 0.16 114.93 118.46 3kjd h MET 251 Ca 0.41 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.95 3kjd h MET 251 Cb 0.17 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3kjd h MET 251 CO -0.16 0.65 0.11 0.93 1.06 0.00 0.00 176.91 179.50 3kjd h GLU 252 N 0.72 0.24 -0.66 1.72 5.08 -0.84 -1.13 114.58 119.70 3kjd h GLU 252 Ca 0.18 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3kjd h GLU 252 Cb 0.14 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3kjd h GLU 252 CO -0.02 0.16 0.35 0.93 -1.00 0.00 0.00 179.01 179.42 3kjd h GLU 253 N 0.24 0.93 -0.63 2.33 5.08 -1.08 -1.08 114.58 120.38 3kjd h GLU 253 Ca 0.11 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kjd h GLU 253 Cb 0.05 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3kjd h GLU 253 CO -0.09 0.71 0.37 0.52 -1.00 0.00 0.00 179.01 179.52 3kjd h MET 254 N 0.90 0.86 -0.35 2.33 2.86 -0.37 -1.77 114.93 119.40 3kjd h MET 254 Ca 0.23 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 3kjd h MET 254 Cb 0.06 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3kjd h MET 254 CO -0.03 0.63 -0.30 0.52 1.06 0.00 0.00 176.91 178.78 3kjd h MET 255 N 0.85 0.74 -0.60 1.72 2.86 -0.99 -1.98 114.93 117.53 3kjd h MET 255 Ca 0.22 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3kjd h MET 255 Cb -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3kjd h MET 255 CO -0.04 0.95 0.36 0.52 1.06 0.00 0.00 176.91 179.76 3kjd h MET 256 N 0.63 0.81 -0.38 1.72 2.07 -1.04 -1.01 114.93 117.73 3kjd h MET 256 Ca 0.07 -0.07 -0.08 0.00 -2.07 0.00 0.00 59.70 57.56 3kjd h MET 256 Cb 0.83 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 30.36 3kjd h MET 256 CO 0.07 0.57 -0.08 1.49 1.07 0.00 0.00 176.91 180.03 3kjd h GLU 257 N 0.83 0.65 -0.01 1.72 4.22 -0.98 -1.04 114.58 119.97 3kjd h GLU 257 Ca 0.22 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.47 3kjd h GLU 257 Cb -0.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kjd h GLU 257 CO -0.04 0.73 0.00 -1.33 -2.18 0.00 0.00 179.01 176.18 3kjd n MET 258 N -4.20 1.04 -1.01 1.92 2.81 -0.57 -4.88 117.12 112.23 3kjd n MET 258 Ca 0.01 -0.05 -0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3kjd n MET 258 Cb 0.32 -1.15 -0.00 0.00 -0.71 0.00 0.00 33.22 31.68 3kjd n MET 258 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3kjd n LYS 259 N -0.59 -0.24 -2.49 0.03 4.76 -0.39 -5.02 118.16 114.21 3kjd n LYS 259 Ca 0.07 0.12 -0.40 0.00 -2.87 0.00 0.00 58.31 55.23 3kjd n LYS 259 Cb 0.04 -3.35 -0.04 0.00 -1.84 0.00 0.00 35.03 29.84 3kjd n LYS 259 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kjd s TYR 260 N -1.90 3.61 -1.02 2.13 5.04 -0.49 -0.58 117.35 124.13 3kjd s TYR 260 Ca 0.00 1.71 -0.15 0.00 -2.44 0.00 0.00 57.07 56.19 3kjd s TYR 260 Cb 0.00 -3.27 0.17 0.00 0.35 0.00 0.00 41.96 39.22 3kjd s TYR 260 CO 0.00 -0.48 1.17 1.21 -1.34 0.00 0.00 175.55 176.10 3kjd s ASN 261 N -0.89 6.86 0.59 4.32 3.84 0.38 -4.17 114.94 125.88 3kjd s ASN 261 Ca 0.44 -2.60 0.36 0.00 0.21 0.00 0.00 52.86 51.28 3kjd s ASN 261 Cb -0.32 -2.35 1.84 0.00 -0.55 0.00 0.00 41.25 39.87 3kjd s ASN 261 CO 0.40 -0.81 2.18 0.71 -2.79 0.00 0.00 177.10 176.79 3kjd h THR 262 N 5.09 0.17 0.13 -5.21 1.35 -1.87 -1.41 112.91 111.15 3kjd h THR 262 Ca 0.20 -0.29 -0.28 0.00 -0.55 0.00 0.00 66.41 65.49 3kjd h THR 262 Cb 0.96 1.24 0.03 0.00 -1.73 0.00 0.00 68.15 68.66 3kjd h THR 262 CO 1.09 0.03 -1.16 0.11 -0.25 0.00 0.00 175.52 175.34 3kjd h LYS 263 N 0.00 0.56 -0.17 4.72 1.79 -1.98 -2.49 116.57 118.99 3kjd h LYS 263 Ca -0.00 -0.77 -0.18 0.00 -2.18 0.00 0.00 60.65 57.52 3kjd h LYS 263 Cb 0.24 0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3kjd h LYS 263 CO 0.00 1.35 -0.63 0.87 -1.08 0.00 0.00 179.45 179.96 3kjd h LYS 264 N 0.14 0.62 -2.62 3.15 1.57 -1.92 -3.39 116.57 114.12 3kjd h LYS 264 Ca -0.18 -0.44 -0.60 0.00 -1.87 0.00 0.00 60.65 57.56 3kjd h LYS 264 Cb 1.85 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 33.83 3kjd h LYS 264 CO 0.22 1.05 -0.81 0.00 -0.57 0.00 0.00 179.45 179.35 3kjd n ALA 265 N -2.54 3.11 -1.69 3.86 0.00 -0.55 -5.09 120.51 117.61 3kjd n ALA 265 Ca -0.04 -3.75 -0.42 0.00 0.00 0.00 0.00 53.44 49.23 3kjd n ALA 265 Cb 0.66 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3kjd n ALA 265 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kjd n PRO 266 N 2.33 1.98 0.17 0.00 -0.02 -0.94 -4.46 135.00 134.06 3kjd n PRO 266 Ca 0.26 0.70 0.06 0.00 -2.02 0.00 0.00 63.50 62.50 3kjd n PRO 266 Cb 0.43 -2.31 0.55 0.00 -0.02 0.00 0.00 33.50 32.15 3kjd n PRO 266 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kjd h LEU 267 N 2.31 0.16 -2.52 2.45 3.38 -1.95 -1.97 115.31 117.17 3kjd h LEU 267 Ca -0.46 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kjd h LEU 267 Cb 1.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3kjd h LEU 267 CO 0.61 0.14 -0.01 1.23 0.09 0.00 0.00 178.44 180.50 3kjd h GLY 268 N 0.25 0.00 -1.47 0.83 0.00 -1.97 -2.12 103.07 98.60 3kjd h GLY 268 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3kjd h GLY 268 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 3kjd n LYS 269 N -3.61 1.55 -2.35 4.80 5.02 -0.75 -4.96 118.16 117.87 3kjd n LYS 269 Ca -0.03 -1.61 -0.41 0.00 -2.02 0.00 0.00 58.31 54.24 3kjd n LYS 269 Cb 0.10 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3kjd n LYS 269 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kjd s LEU 270 N -1.45 4.45 0.33 -0.35 2.96 -0.80 -5.03 118.68 118.79 3kjd s LEU 270 Ca 0.22 2.29 0.09 0.00 -0.22 0.00 0.00 54.13 56.51 3kjd s LEU 270 Cb 0.15 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 3kjd s LEU 270 CO 0.22 -0.38 -0.01 0.42 -1.32 0.00 0.00 176.35 175.28 3kjd s THR 271 N -0.22 2.68 0.29 3.68 -4.23 -1.26 -4.95 115.64 111.62 3kjd s THR 271 Ca 0.52 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3kjd s THR 271 Cb -0.34 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 70.90 3kjd s THR 271 CO 0.38 -0.23 1.82 -0.37 -0.54 0.00 0.00 174.62 175.68 3kjd h VAL 272 N 1.87 1.22 -0.77 2.29 -1.51 -1.99 -2.62 116.25 114.74 3kjd h VAL 272 Ca -0.43 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.15 3kjd h VAL 272 Cb 1.25 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 31.15 3kjd h VAL 272 CO 0.66 0.31 0.31 0.00 -1.23 0.00 0.00 177.57 177.62 3kjd h ALA 273 N 1.35 1.10 -0.55 5.19 0.00 -1.98 -0.10 119.26 124.27 3kjd h ALA 273 Ca 0.16 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3kjd h ALA 273 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kjd h ALA 273 CO 0.01 0.64 -0.06 1.96 0.00 0.00 0.00 179.25 181.80 3kjd h GLN 274 N 1.11 1.00 -0.19 0.00 4.20 -1.91 -0.31 115.11 119.02 3kjd h GLN 274 Ca 0.26 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3kjd h GLN 274 Cb 0.20 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3kjd h GLN 274 CO -0.02 1.02 0.03 0.82 -0.67 0.00 0.00 178.83 180.00 3kjd h ILE 275 N 0.90 1.23 -0.80 2.54 2.04 -1.19 -0.47 117.51 121.75 3kjd h ILE 275 Ca 0.15 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.38 3kjd h ILE 275 Cb 0.61 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 3kjd h ILE 275 CO 0.04 0.23 0.43 0.50 0.00 0.00 0.00 178.15 179.35 3kjd h LYS 276 N 0.10 0.68 -0.57 2.37 3.64 -0.87 -0.63 116.57 121.28 3kjd h LYS 276 Ca 0.06 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3kjd h LYS 276 Cb 0.32 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3kjd h LYS 276 CO 0.00 0.45 -0.02 0.00 -2.27 0.00 0.00 179.45 177.61 3kjd h ALA 277 N 1.48 0.78 -0.52 5.00 0.00 -0.76 -1.92 119.26 123.32 3kjd h ALA 277 Ca 0.41 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3kjd h ALA 277 Cb 0.45 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3kjd h ALA 277 CO -0.29 0.63 -0.17 0.78 0.00 0.00 0.00 179.25 180.21 3kjd h GLY 278 N 0.92 0.29 0.89 0.00 0.00 -0.27 -1.53 103.07 103.37 3kjd h GLY 278 Ca 0.16 0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.74 3kjd h GLY 278 CO 0.03 -0.21 0.58 -0.97 0.00 0.00 0.00 176.54 175.97 3kjd h TYR 279 N -0.04 1.09 -0.59 5.60 0.05 -0.56 -1.58 116.97 120.93 3kjd h TYR 279 Ca 0.25 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.03 3kjd h TYR 279 Cb 0.42 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 3kjd h TYR 279 CO -0.47 0.63 0.28 1.96 -1.05 0.00 0.00 178.16 179.52 3kjd h GLN 280 N 1.13 0.82 -0.55 4.88 4.20 -0.87 0.31 115.11 125.03 3kjd h GLN 280 Ca 0.35 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 3kjd h GLN 280 Cb -0.01 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3kjd h GLN 280 CO -0.11 0.64 -0.02 0.77 -0.67 0.00 0.00 178.83 179.44 3kjd h SER 281 N 0.83 0.96 0.09 1.46 0.02 -0.88 -2.15 113.55 113.88 3kjd h SER 281 Ca 0.21 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3kjd h SER 281 Cb 0.09 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3kjd h SER 281 CO -0.03 1.04 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.53 3kjd h LEU 282 N 0.86 0.04 -0.61 5.07 3.38 -0.46 -0.62 115.31 122.97 3kjd h LEU 282 Ca 0.15 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3kjd h LEU 282 Cb 0.56 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3kjd h LEU 282 CO 0.03 0.15 -0.29 0.50 0.09 0.00 0.00 178.44 178.92 3kjd h LYS 283 N 0.04 0.79 -0.68 1.13 1.63 -0.56 -0.19 116.57 118.73 3kjd h LYS 283 Ca 0.01 -0.35 -0.07 0.00 -0.85 0.00 0.00 60.65 59.38 3kjd h LYS 283 Cb 0.22 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 3kjd h LYS 283 CO 0.01 0.98 0.15 0.87 -3.45 0.00 0.00 179.45 178.01 3kjd h LYS 284 N 0.67 1.10 -0.83 1.90 1.57 -0.52 -0.62 116.57 119.83 3kjd h LYS 284 Ca 0.08 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3kjd h LYS 284 Cb 0.83 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 3kjd h LYS 284 CO 0.07 0.98 0.50 0.82 -0.57 0.00 0.00 179.45 181.25 3kjd h ILE 285 N 1.04 1.23 -0.23 1.86 2.04 -1.05 -2.27 117.51 120.13 3kjd h ILE 285 Ca 0.21 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3kjd h ILE 285 Cb 0.39 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3kjd h ILE 285 CO 0.01 0.24 0.15 -0.08 0.00 0.00 0.00 178.15 178.46 3kjd h GLU 286 N 1.14 0.31 -0.72 2.37 4.81 -0.28 0.13 114.58 122.35 3kjd h GLU 286 Ca 0.30 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.64 3kjd h GLU 286 Cb -0.05 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.17 3kjd h GLU 286 CO -0.06 0.23 0.26 -0.44 -0.73 0.00 0.00 179.01 178.28 3kjd h ASP 287 N 0.30 0.22 -0.17 1.04 3.32 -0.97 0.20 116.42 120.36 3kjd h ASP 287 Ca 0.08 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3kjd h ASP 287 Cb -0.01 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3kjd h ASP 287 CO -0.02 0.09 -0.02 0.00 -1.72 0.00 0.00 179.24 177.57 3kjd h ILE 289 N 0.04 1.15 -0.35 0.00 2.04 -0.48 -0.60 117.51 119.31 3kjd h ILE 289 Ca 0.05 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3kjd h ILE 289 Cb 0.43 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3kjd h ILE 289 CO 0.01 0.18 -0.07 -0.09 0.00 0.00 0.00 178.15 178.19 3kjd h ARG 290 N 0.98 0.58 -0.06 2.37 2.43 -0.85 -2.55 114.38 117.28 3kjd h ARG 290 Ca 0.30 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kjd h ARG 290 Cb -0.04 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3kjd h ARG 290 CO -0.09 0.65 0.00 0.00 -1.51 0.00 0.00 179.97 179.02 3kjd n ALA 291 N -2.48 2.58 -1.16 2.80 0.00 -0.68 -4.92 120.51 116.65 3kjd n ALA 291 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 3kjd n ALA 291 Cb 0.30 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 3kjd n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjd n GLY 292 N 1.08 0.71 3.78 0.00 0.00 -0.92 -5.00 105.19 104.85 3kjd n GLY 292 Ca 0.18 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3kjd n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kjd s GLN 293 N -1.98 3.86 0.00 1.61 -0.21 -0.28 -4.95 119.66 117.71 3kjd s GLN 293 Ca 0.00 1.58 0.00 0.00 0.02 0.00 0.00 55.36 56.96 3kjd s GLN 293 Cb 0.00 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.67 3kjd s GLN 293 CO 0.00 -0.42 0.00 0.72 -2.12 0.00 0.00 175.29 173.47 3kjd n HIS 294 N -0.54 0.00 0.00 0.91 8.25 -1.26 -4.59 115.22 117.99 3kjd n HIS 294 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3kjd n HIS 294 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 3kjd n HIS 294 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kjd n GLY 295 N 0.00 0.92 0.24 -1.41 0.00 -1.26 -4.52 105.19 99.16 3kjd n GLY 295 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.19 3kjd n GLY 295 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kjd h ARG 296 N 0.00 0.16 -0.36 1.61 2.43 -1.99 -1.88 114.38 114.35 3kjd h ARG 296 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kjd h ARG 296 Cb 0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3kjd h ARG 296 CO 0.00 0.11 0.24 0.00 -1.51 0.00 0.00 179.97 178.81 3kjd h ALA 297 N 1.57 0.46 -0.40 2.80 0.00 -1.99 0.97 119.26 122.68 3kjd h ALA 297 Ca 0.35 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 3kjd h ALA 297 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kjd h ALA 297 CO -0.52 -0.07 -0.37 1.25 0.00 0.00 0.00 179.25 179.54 3kjd h LEU 298 N 0.49 1.01 -0.10 0.00 5.85 -1.72 -1.65 115.31 119.20 3kjd h LEU 298 Ca 0.13 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3kjd h LEU 298 Cb -0.05 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.69 3kjd h LEU 298 CO -0.03 1.26 0.04 -0.03 -0.34 0.00 0.00 178.44 179.35 3kjd h MET 299 N 0.78 0.15 -0.91 1.25 4.05 -1.15 -0.13 114.93 118.96 3kjd h MET 299 Ca 0.07 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.58 3kjd h MET 299 Cb 0.97 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.67 3kjd h MET 299 CO 0.09 0.24 0.58 0.93 0.23 0.00 0.00 176.91 178.99 3kjd h GLU 300 N 0.01 0.79 -0.08 0.39 5.08 -0.68 0.12 114.58 120.22 3kjd h GLU 300 Ca 0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3kjd h GLU 300 Cb 0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kjd h GLU 300 CO -0.00 0.53 -0.30 0.00 -1.00 0.00 0.00 179.01 178.23 3kjd h ALA 301 N 1.57 0.14 -0.38 3.43 0.00 -0.86 -0.73 119.26 122.43 3kjd h ALA 301 Ca 0.44 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3kjd h ALA 301 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kjd h ALA 301 CO -0.21 0.18 -0.22 0.00 0.00 0.00 0.00 179.25 179.01 3kjd h ASN 303 N 0.66 0.88 -0.06 0.00 2.35 -0.98 -0.57 115.58 117.87 3kjd h ASN 303 Ca 0.09 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3kjd h ASN 303 Cb 0.72 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3kjd h ASN 303 CO 0.06 0.93 0.01 -0.08 -1.65 0.00 0.00 177.43 176.69 3kjd h GLU 304 N 0.80 0.03 -0.31 0.81 4.81 -0.92 -0.04 114.58 119.77 3kjd h GLU 304 Ca 0.16 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3kjd h GLU 304 Cb 0.43 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 3kjd h GLU 304 CO 0.01 0.02 0.03 0.35 -0.73 0.00 0.00 179.01 178.69 3kjd h PHE 305 N 0.04 0.03 0.00 0.92 3.57 -0.67 -0.90 116.94 119.92 3kjd h PHE 305 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3kjd h PHE 305 Cb 0.02 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3kjd h PHE 305 CO -0.10 -0.02 -0.18 1.88 -2.23 0.00 0.00 178.31 177.66 3kjd h TYR 306 N 0.12 0.00 -0.14 0.41 0.05 -1.03 0.18 116.97 116.56 3kjd h TYR 306 Ca 0.15 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 3kjd h TYR 306 Cb 0.19 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 3kjd h TYR 306 CO -0.21 0.18 -0.20 1.15 -1.05 0.00 0.00 178.16 178.03 3kjd h THR 307 N 0.00 1.36 -0.07 -2.88 2.02 -0.43 -3.20 112.91 109.70 3kjd h THR 307 Ca -0.00 -1.43 -0.17 0.00 0.77 0.00 0.00 66.41 65.58 3kjd h THR 307 Cb 0.54 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3kjd h THR 307 CO 0.02 0.42 -0.69 0.03 0.37 0.00 0.00 175.52 175.67 3kjd h ARG 308 N -0.01 0.34 -2.99 6.66 3.08 -0.74 -3.38 114.38 117.35 3kjd h ARG 308 Ca 0.01 -0.27 -0.62 0.00 0.07 0.00 0.00 59.98 59.18 3kjd h ARG 308 Cb 0.77 0.05 -0.40 0.00 0.08 0.00 0.00 29.97 30.47 3kjd h ARG 308 CO 0.05 0.90 -0.71 0.42 -1.07 0.00 0.00 179.97 179.57 3kjd s ILE 309 N -3.64 1.89 0.33 2.04 -1.09 0.01 -4.89 121.20 115.85 3kjd s ILE 309 Ca -0.05 -3.23 -0.29 0.00 -2.23 0.00 0.00 60.65 54.85 3kjd s ILE 309 Cb 0.11 -2.29 -0.11 0.00 -1.58 0.00 0.00 42.46 38.59 3kjd s ILE 309 CO 0.83 -0.97 1.56 -2.84 -1.23 0.00 0.00 174.94 172.28 3kjd s PRO 310 N -0.36 4.11 0.28 2.79 0.02 -1.21 -4.46 135.00 136.17 3kjd s PRO 310 Ca 0.22 2.58 0.12 0.00 0.02 0.00 0.00 61.00 63.94 3kjd s PRO 310 Cb -0.14 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 3kjd s PRO 310 CO -0.08 -0.60 -0.17 -1.01 -0.33 0.00 0.00 177.00 174.81 3kjd s HIS 311 N -0.44 2.35 -0.33 6.54 3.76 -1.26 -0.47 115.29 125.44 3kjd s HIS 311 Ca 0.59 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 55.22 3kjd s HIS 311 Cb -0.47 -1.02 0.10 0.00 1.11 0.00 0.00 32.58 32.29 3kjd s HIS 311 CO 0.54 0.70 0.06 0.34 -0.85 0.00 0.00 174.74 175.53 3kjd s ASP 312 N -3.53 4.59 -0.10 1.40 -1.08 0.25 -4.63 116.67 113.58 3kjd s ASP 312 Ca 0.30 -2.03 0.17 0.00 -0.52 0.00 0.00 52.55 50.47 3kjd s ASP 312 Cb -0.05 -1.45 0.62 0.00 -1.46 0.00 0.00 42.92 40.58 3kjd s ASP 312 CO 0.16 -0.39 1.53 0.49 0.52 0.00 0.00 175.17 177.48 3kjd n PHE 313 N 4.39 1.21 0.00 -5.34 3.72 -1.26 -4.88 117.46 115.30 3kjd n PHE 313 Ca 0.02 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 3kjd n PHE 313 Cb 0.42 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3kjd n PHE 313 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kjd n GLY 314 N 0.82 3.18 0.93 1.37 0.00 -1.26 -1.72 105.19 108.52 3kjd n GLY 314 Ca 0.23 0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.64 3kjd n GLY 314 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjd n LEU 315 N 0.00 2.83 -4.84 0.99 4.77 -1.26 -4.96 117.00 114.53 3kjd n LEU 315 Ca 0.00 -1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 54.53 3kjd n LEU 315 Cb 0.00 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 3kjd n LEU 315 CO 0.00 0.55 0.31 -0.60 -1.33 0.00 0.00 177.39 176.32 3kjd s ARG 316 N -1.75 4.01 -0.02 3.23 3.52 -0.70 -5.01 118.95 122.24 3kjd s ARG 316 Ca 0.34 0.57 -0.35 0.00 -0.13 0.00 0.00 55.73 56.16 3kjd s ARG 316 Cb 0.21 -2.77 -0.13 0.00 -1.56 0.00 0.00 34.95 30.69 3kjd s ARG 316 CO 0.30 0.37 1.71 2.41 -0.81 0.00 0.00 175.30 179.28 3kjd n THR 317 N 0.38 0.30 -1.73 4.11 -1.04 -1.26 -4.84 114.28 110.20 3kjd n THR 317 Ca -0.02 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 3kjd n THR 317 Cb 0.52 -1.56 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 3kjd n THR 317 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kjd s PRO 318 N 2.60 4.13 0.44 -2.82 0.02 -1.26 -4.91 135.00 133.20 3kjd s PRO 318 Ca 0.88 2.60 -0.22 0.00 0.02 0.00 0.00 61.00 64.28 3kjd s PRO 318 Cb -0.77 -3.23 -0.09 0.00 0.02 0.00 0.00 34.50 30.44 3kjd s PRO 318 CO 0.49 -0.78 1.05 -1.25 -0.33 0.00 0.00 177.00 176.18 3kjd s PRO 319 N 1.63 3.97 0.54 5.54 0.04 -1.26 -5.02 135.00 140.45 3kjd s PRO 319 Ca 0.76 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 3kjd s PRO 319 Cb -0.49 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 3kjd s PRO 319 CO 0.33 -0.30 1.11 -0.51 0.04 0.00 0.00 177.00 177.68 3kjd s LEU 320 N -3.05 3.74 -0.41 -3.56 1.43 -1.26 -5.01 118.68 110.56 3kjd s LEU 320 Ca 0.63 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.74 3kjd s LEU 320 Cb -0.20 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.50 3kjd s LEU 320 CO 0.24 -1.17 0.27 -0.63 0.23 0.00 0.00 176.35 175.29 3kjd s ILE 321 N -1.83 4.62 0.00 -0.59 1.01 -1.26 -4.90 121.20 118.25 3kjd s ILE 321 Ca 0.72 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3kjd s ILE 321 Cb -0.23 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3kjd s ILE 321 CO 0.27 -0.41 0.02 -2.11 0.00 0.00 0.00 174.94 172.71 3kjd n ARG 322 N 5.02 2.16 -4.61 2.79 1.85 -1.26 -4.94 116.66 117.67 3kjd n ARG 322 Ca -0.11 -0.02 -0.27 0.00 -1.00 0.00 0.00 57.85 56.44 3kjd n ARG 322 Cb 0.44 -0.25 -0.11 0.00 -1.05 0.00 0.00 32.46 31.50 3kjd n ARG 322 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3kjd s THR 323 N -0.32 1.95 0.19 8.89 -1.32 -1.26 -4.94 115.64 118.83 3kjd s THR 323 Ca 0.00 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.39 3kjd s THR 323 Cb 0.00 -2.98 0.09 0.00 -1.51 0.00 0.00 72.50 68.10 3kjd s THR 323 CO 0.00 -0.00 1.67 -0.61 -2.21 0.00 0.00 174.62 173.47 3kjd h GLN 324 N 1.80 1.09 -0.48 7.08 -0.00 -1.99 0.50 115.11 123.11 3kjd h GLN 324 Ca -0.44 -0.32 -0.12 0.00 -0.00 0.00 0.00 58.65 57.78 3kjd h GLN 324 Cb 1.24 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 28.59 3kjd h GLN 324 CO 0.80 1.03 -0.17 1.57 0.00 0.00 0.00 178.83 182.06 3kjd h LYS 325 N 1.01 0.93 -0.31 1.69 2.10 -1.96 0.66 116.57 120.69 3kjd h LYS 325 Ca 0.19 -0.36 -0.15 0.00 -2.00 0.00 0.00 60.65 58.32 3kjd h LYS 325 Cb 0.50 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 3kjd h LYS 325 CO 0.02 1.02 -0.40 0.93 -2.00 0.00 0.00 179.45 179.02 3kjd h GLU 326 N 0.82 0.76 -0.41 0.07 5.08 -1.88 -1.00 114.58 118.03 3kjd h GLU 326 Ca 0.12 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3kjd h GLU 326 Cb 0.72 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3kjd h GLU 326 CO 0.06 1.03 0.16 1.25 -1.00 0.00 0.00 179.01 180.50 3kjd h LEU 327 N 0.62 0.57 -0.91 1.33 5.85 -0.78 -2.72 115.31 119.28 3kjd h LEU 327 Ca 0.05 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3kjd h LEU 327 Cb 0.96 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3kjd h LEU 327 CO 0.09 0.59 0.49 -1.28 -0.34 0.00 0.00 178.44 177.99 3kjd h SER 328 N 0.52 1.13 -0.88 1.25 0.87 -0.65 -0.30 113.55 115.50 3kjd h SER 328 Ca 0.14 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3kjd h SER 328 Cb 0.20 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3kjd h SER 328 CO -0.01 0.91 0.54 -0.33 -0.53 0.00 0.00 176.83 177.41 3kjd h GLU 329 N 1.27 1.18 -0.41 2.24 5.08 -1.07 -0.07 114.58 122.80 3kjd h GLU 329 Ca 0.32 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 3kjd h GLU 329 Cb 0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3kjd h GLU 329 CO -0.05 0.82 -0.24 0.87 -1.00 0.00 0.00 179.01 179.41 3kjd h LYS 330 N 1.20 0.85 -0.59 2.33 1.79 -1.10 -1.66 116.57 119.38 3kjd h LYS 330 Ca 0.32 -0.36 0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3kjd h LYS 330 Cb -0.07 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 3kjd h LYS 330 CO -0.06 0.99 0.38 0.82 -1.08 0.00 0.00 179.45 180.50 3kjd h ILE 331 N 0.73 1.11 -0.28 1.86 2.04 -0.72 -1.37 117.51 120.89 3kjd h ILE 331 Ca 0.10 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3kjd h ILE 331 Cb 0.77 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3kjd h ILE 331 CO 0.06 0.14 -0.13 1.56 0.00 0.00 0.00 178.15 179.78 3kjd h GLN 332 N 0.75 0.47 -0.36 2.37 4.20 -0.80 0.96 115.11 122.70 3kjd h GLN 332 Ca 0.23 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3kjd h GLN 332 Cb -0.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3kjd h GLN 332 CO -0.07 0.60 0.21 1.25 -0.67 0.00 0.00 178.83 180.14 3kjd h LEU 333 N 0.43 0.45 -0.93 1.46 5.85 -0.97 -1.15 115.31 120.44 3kjd h LEU 333 Ca 0.08 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 3kjd h LEU 333 Cb 0.49 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3kjd h LEU 333 CO 0.03 0.39 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.19 3kjd h LEU 334 N 0.47 0.48 -0.63 2.25 3.38 -0.50 -0.99 115.31 119.77 3kjd h LEU 334 Ca 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kjd h LEU 334 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3kjd h LEU 334 CO -0.02 0.73 0.41 -0.33 0.09 0.00 0.00 178.44 179.31 3kjd h GLU 335 N 0.42 0.84 -0.28 1.13 5.08 -0.59 -0.59 114.58 120.58 3kjd h GLU 335 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kjd h GLU 335 Cb 0.68 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3kjd h GLU 335 CO 0.05 0.57 0.14 0.00 -1.00 0.00 0.00 179.01 178.77 3kjd h ALA 336 N 1.22 0.36 -0.85 3.43 0.00 -1.01 -2.33 119.26 120.08 3kjd h ALA 336 Ca 0.23 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3kjd h ALA 336 Cb -0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 3kjd h ALA 336 CO -0.05 -0.09 0.48 -0.07 0.00 0.00 0.00 179.25 179.53 3kjd h LEU 337 N 0.32 0.68 -0.76 0.00 3.38 -0.95 0.12 115.31 118.10 3kjd h LEU 337 Ca 0.10 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kjd h LEU 337 Cb 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3kjd h LEU 337 CO -0.01 0.37 0.48 1.23 0.09 0.00 0.00 178.44 180.59 3kjd h GLY 338 N 0.78 1.10 1.86 0.83 0.00 -0.91 0.40 103.07 107.13 3kjd h GLY 338 Ca 0.42 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 3kjd h GLY 338 CO -0.27 0.43 -0.73 -0.55 0.00 0.00 0.00 176.54 175.42 3kjd h ASP 339 N 1.04 0.16 -0.44 0.19 3.32 -0.87 -2.80 116.42 117.03 3kjd h ASP 339 Ca 0.28 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3kjd h ASP 339 Cb -0.07 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3kjd h ASP 339 CO -0.06 0.83 0.15 0.40 -1.72 0.00 0.00 179.24 178.85 3kjd h ILE 340 N 0.09 1.21 -0.67 0.35 2.04 -0.69 -0.61 117.51 119.23 3kjd h ILE 340 Ca -0.02 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.19 3kjd h ILE 340 Cb 1.29 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3kjd h ILE 340 CO 0.11 0.25 0.41 -0.08 0.00 0.00 0.00 178.15 178.84 3kjd h GLU 341 N 0.56 0.78 0.05 2.37 4.22 -0.84 -0.21 114.58 121.51 3kjd h GLU 341 Ca 0.14 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.55 3kjd h GLU 341 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kjd h GLU 341 CO -0.01 0.52 -0.14 0.82 -2.18 0.00 0.00 179.01 178.02 3kjd h ILE 342 N 0.80 0.66 -0.71 2.32 2.04 -1.32 -2.82 117.51 118.49 3kjd h ILE 342 Ca 0.27 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 3kjd h ILE 342 Cb 0.04 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3kjd h ILE 342 CO -0.11 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.36 3kjd h ALA 343 N 0.64 0.92 -0.61 1.87 0.00 -0.37 -1.44 119.26 120.28 3kjd h ALA 343 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3kjd h ALA 343 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kjd h ALA 343 CO -0.10 0.50 0.01 0.82 0.00 0.00 0.00 179.25 180.48 3kjd h ILE 344 N 1.00 1.27 -0.50 0.00 2.04 -1.05 -0.37 117.51 119.88 3kjd h ILE 344 Ca 0.24 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3kjd h ILE 344 Cb 0.15 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3kjd h ILE 344 CO -0.03 0.42 0.33 0.11 0.00 0.00 0.00 178.15 178.98 3kjd h LYS 345 N 0.96 0.65 -0.27 2.37 1.57 -1.32 -3.13 116.57 117.40 3kjd h LYS 345 Ca 0.17 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3kjd h LYS 345 Cb 0.55 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3kjd h LYS 345 CO 0.03 0.43 -0.17 1.25 -0.57 0.00 0.00 179.45 180.42 3kjd h LEU 346 N 0.67 0.47 -0.79 2.94 6.46 -0.47 -2.95 115.31 121.64 3kjd h LEU 346 Ca 0.19 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3kjd h LEU 346 Cb -0.06 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 3kjd h LEU 346 CO -0.05 0.66 -0.04 1.33 -0.62 0.00 0.00 178.44 179.72 3kjd n VAL 347 N -4.17 0.00 0.00 1.05 0.24 -0.22 -4.82 118.33 110.40 3kjd n VAL 347 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3kjd n VAL 347 Cb 0.35 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 3kjd n VAL 347 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kjd n LYS 348 N -0.08 3.13 0.00 7.34 3.00 -1.12 -5.03 118.16 125.41 3kjd n LYS 348 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 3kjd n LYS 348 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.36 3kjd n LYS 348 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3kjd n SER 353 N 0.00 0.00 0.21 3.14 3.41 -1.26 -5.04 113.62 114.08 3kjd n SER 353 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3kjd n SER 353 Cb 0.00 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.36 3kjd n SER 353 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3kjd h PRO 354 N 3.26 0.00 -6.66 4.33 0.13 -2.08 -3.45 132.00 127.53 3kjd h PRO 354 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3kjd h PRO 354 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 3kjd h PRO 354 CO 0.00 0.29 0.72 -2.00 -0.23 0.00 0.00 178.00 176.78 3kjd s GLU 355 N -3.66 4.32 0.35 0.86 2.12 -1.26 -5.00 118.70 116.43 3kjd s GLU 355 Ca 0.00 2.16 -0.28 0.00 0.36 0.00 0.00 54.97 57.21 3kjd s GLU 355 Cb 0.11 -3.18 -0.12 0.00 0.26 0.00 0.00 34.13 31.20 3kjd s GLU 355 CO 0.66 -0.38 1.41 1.58 -0.54 0.00 0.00 175.26 177.99 3kjd n HIS 356 N 2.98 2.65 -0.34 5.30 -0.00 -1.26 -4.84 115.22 119.71 3kjd n HIS 356 Ca 0.08 0.47 0.19 0.00 -0.00 0.00 0.00 57.72 58.47 3kjd n HIS 356 Cb 0.41 -2.49 0.41 0.00 -0.00 0.00 0.00 29.99 28.33 3kjd n HIS 356 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kjd h PRO 357 N 3.00 0.44 -0.42 1.57 0.11 -1.96 -1.84 132.00 132.89 3kjd h PRO 357 Ca -0.48 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3kjd h PRO 357 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kjd h PRO 357 CO 0.65 0.29 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.40 3kjd h LEU 358 N 0.45 0.93 -0.82 2.35 3.38 -1.99 -0.23 115.31 119.38 3kjd h LEU 358 Ca 0.67 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 3kjd h LEU 358 Cb 1.38 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3kjd h LEU 358 CO -0.54 1.13 0.12 0.44 0.09 0.00 0.00 178.44 179.68 3kjd h ASP 359 N 0.77 0.95 -0.38 -0.43 3.32 -1.74 -1.98 116.42 116.92 3kjd h ASP 359 Ca 0.09 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3kjd h ASP 359 Cb 0.82 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3kjd h ASP 359 CO 0.07 0.94 0.13 -0.61 -1.72 0.00 0.00 179.24 178.05 3kjd h GLN 360 N 0.95 0.59 -0.21 3.56 4.15 -1.07 -1.57 115.11 121.51 3kjd h GLN 360 Ca 0.20 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3kjd h GLN 360 Cb 0.39 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3kjd h GLN 360 CO 0.01 0.59 0.12 0.45 -1.93 0.00 0.00 178.83 178.07 3kjd h HIS 361 N 0.47 0.29 -0.61 3.99 3.86 -0.87 -1.83 115.15 120.44 3kjd h HIS 361 Ca 0.12 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3kjd h HIS 361 Cb 0.24 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3kjd h HIS 361 CO 0.01 0.25 0.39 -0.92 0.86 0.00 0.00 177.93 178.52 3kjd h TYR 362 N 0.24 0.78 -0.49 2.45 3.20 -1.35 -2.25 116.97 119.56 3kjd h TYR 362 Ca 0.07 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3kjd h TYR 362 Cb 0.06 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3kjd h TYR 362 CO -0.04 0.51 0.30 -0.09 -1.64 0.00 0.00 178.16 177.20 3kjd h ARG 363 N 0.83 0.66 0.00 1.82 2.43 -1.14 -2.62 114.38 116.36 3kjd h ARG 363 Ca 0.22 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3kjd h ARG 363 Cb -0.07 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3kjd h ARG 363 CO -0.05 0.47 -0.00 -0.91 -1.51 0.00 0.00 179.97 177.98 3kjd h ASN 364 N 0.65 0.00 0.48 -3.80 2.35 -0.84 -1.16 115.58 113.26 3kjd h ASN 364 Ca 0.17 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3kjd h ASN 364 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3kjd h ASN 364 CO -0.03 0.00 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.44 3kjd h LEU 365 N 0.00 0.00 -2.16 1.61 3.38 -1.02 -3.47 115.31 113.65 3kjd h LEU 365 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3kjd h LEU 365 Cb 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3kjd h LEU 365 CO 0.00 0.23 -0.91 1.41 0.09 0.00 0.00 178.44 179.26 3kjd n HIS 366 N -3.76 -1.60 -3.43 1.13 8.25 -0.44 -4.15 115.22 111.21 3kjd n HIS 366 Ca -0.01 0.66 -0.06 0.00 -0.26 0.00 0.00 57.72 58.05 3kjd n HIS 366 Cb 0.34 -3.52 -0.07 0.00 1.12 0.00 0.00 29.99 27.86 3kjd n HIS 366 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kjd s ALA 368 N 2.66 3.40 -0.15 0.00 0.00 -0.44 -4.91 121.76 122.33 3kjd s ALA 368 Ca 0.08 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 3kjd s ALA 368 Cb -0.14 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.70 3kjd s ALA 368 CO -0.16 -0.16 -0.01 -0.51 0.00 0.00 0.00 175.76 174.92 3kjd s LEU 369 N -1.32 1.20 -0.20 0.00 1.43 -1.26 -1.87 118.68 116.66 3kjd s LEU 369 Ca 0.45 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3kjd s LEU 369 Cb -0.32 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.24 3kjd s LEU 369 CO 0.40 -0.22 -0.17 -0.13 0.23 0.00 0.00 176.35 176.46 3kjd s ARG 370 N 1.79 2.81 0.49 1.70 0.52 -0.48 -4.91 118.95 120.87 3kjd s ARG 370 Ca 0.01 -0.96 -0.23 0.00 -0.52 0.00 0.00 55.73 54.03 3kjd s ARG 370 Cb -0.15 -2.67 -0.07 0.00 0.52 0.00 0.00 34.95 32.59 3kjd s ARG 370 CO -0.07 -0.30 1.33 -1.25 0.02 0.00 0.00 175.30 175.02 3kjd s PRO 371 N 1.25 3.48 0.13 3.54 0.04 -1.26 -0.51 135.00 141.67 3kjd s PRO 371 Ca 0.01 2.17 0.07 0.00 0.04 0.00 0.00 61.00 63.30 3kjd s PRO 371 Cb -0.15 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 3kjd s PRO 371 CO -0.11 -0.90 -0.07 -0.51 0.04 0.00 0.00 177.00 175.46 3kjd s LEU 372 N -3.11 3.12 0.21 -3.56 1.43 -0.18 -4.84 118.68 111.75 3kjd s LEU 372 Ca 0.66 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 3kjd s LEU 372 Cb -0.38 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.88 3kjd s LEU 372 CO 0.47 0.15 1.34 -0.62 0.23 0.00 0.00 176.35 177.92 3kjd s ASP 373 N -2.44 6.84 0.19 2.29 -1.08 -1.26 -4.66 116.67 116.55 3kjd s ASP 373 Ca 0.23 2.46 0.19 0.00 -0.52 0.00 0.00 52.55 54.92 3kjd s ASP 373 Cb -0.10 -2.61 0.85 0.00 -1.46 0.00 0.00 42.92 39.59 3kjd s ASP 373 CO 0.15 -0.56 1.59 1.41 0.52 0.00 0.00 175.17 178.28 3kjd n HIS 374 N 2.52 0.54 -0.45 -5.34 8.25 -1.26 -1.48 115.22 118.01 3kjd n HIS 374 Ca 0.06 0.23 0.09 0.00 -0.26 0.00 0.00 57.72 57.84 3kjd n HIS 374 Cb 0.42 -0.87 0.29 0.00 1.12 0.00 0.00 29.99 30.96 3kjd n HIS 374 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3kjd n GLU 375 N -2.01 3.11 -1.98 -0.41 1.02 -1.26 -4.73 120.64 114.37 3kjd n GLU 375 Ca 0.02 -2.62 -0.30 0.00 -0.02 0.00 0.00 57.16 54.24 3kjd n GLU 375 Cb 0.17 -1.62 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 3kjd n GLU 375 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kjd s SER 376 N -1.03 6.24 0.20 1.62 1.04 -0.55 -4.97 113.70 116.26 3kjd s SER 376 Ca 0.44 1.35 -0.10 0.00 0.48 0.00 0.00 55.95 58.11 3kjd s SER 376 Cb 0.25 -2.44 0.20 0.00 0.10 0.00 0.00 66.02 64.14 3kjd s SER 376 CO 0.25 -0.83 1.82 0.22 0.98 0.00 0.00 173.24 175.68 3kjd h TYR 377 N -0.24 0.68 -0.33 5.02 3.20 -1.94 -2.46 116.97 120.90 3kjd h TYR 377 Ca -0.44 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.46 3kjd h TYR 377 Cb 1.19 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3kjd h TYR 377 CO 0.65 0.35 0.20 0.93 -1.64 0.00 0.00 178.16 178.64 3kjd h GLU 378 N 0.69 0.39 -0.62 1.82 3.07 -1.93 -1.25 114.58 116.75 3kjd h GLU 378 Ca 0.27 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.19 3kjd h GLU 378 Cb 0.12 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.88 3kjd h GLU 378 CO -0.15 0.26 0.29 0.35 -1.40 0.00 0.00 179.01 178.36 3kjd h PHE 379 N 0.41 0.53 -0.25 4.33 3.57 -1.78 -0.56 116.94 123.19 3kjd h PHE 379 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3kjd h PHE 379 Cb -0.01 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3kjd h PHE 379 CO -0.07 0.20 0.12 -0.22 -2.23 0.00 0.00 178.31 176.12 3kjd h LYS 380 N 0.53 0.35 -0.43 1.11 3.64 -0.94 -0.13 116.57 120.70 3kjd h LYS 380 Ca 0.30 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 3kjd h LYS 380 Cb 0.28 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3kjd h LYS 380 CO -0.24 0.35 -0.20 0.28 -2.27 0.00 0.00 179.45 177.37 3kjd h VAL 381 N 0.27 1.27 -0.27 2.00 2.07 -0.73 -1.81 116.25 119.04 3kjd h VAL 381 Ca 0.08 -1.33 -0.17 0.00 0.82 0.00 0.00 66.70 66.10 3kjd h VAL 381 Cb 0.11 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3kjd h VAL 381 CO -0.01 0.45 -0.51 0.40 0.02 0.00 0.00 177.57 177.92 3kjd h ILE 382 N 0.74 1.28 -0.95 4.57 2.04 -1.00 0.17 117.51 124.37 3kjd h ILE 382 Ca 0.10 -1.70 0.06 0.00 1.00 0.00 0.00 64.86 64.33 3kjd h ILE 382 Cb 0.73 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 3kjd h ILE 382 CO 0.06 0.55 0.61 0.28 0.00 0.00 0.00 178.15 179.65 3kjd h SER 383 N 0.59 0.97 -0.47 1.72 0.02 -0.94 0.18 113.55 115.62 3kjd h SER 383 Ca 0.01 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3kjd h SER 383 Cb 1.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 3kjd h SER 383 CO 0.11 0.62 0.09 1.56 -1.14 0.00 0.00 176.83 178.07 3kjd h GLN 384 N 1.11 0.77 -0.19 3.45 4.20 -0.97 -1.54 115.11 121.94 3kjd h GLN 384 Ca 0.41 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3kjd h GLN 384 Cb 0.17 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3kjd h GLN 384 CO -0.17 0.77 0.08 -0.92 -0.67 0.00 0.00 178.83 177.92 3kjd h TYR 385 N 0.65 0.28 -0.25 2.96 3.20 -0.50 0.45 116.97 123.76 3kjd h TYR 385 Ca 0.15 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.06 3kjd h TYR 385 Cb 0.37 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 3kjd h TYR 385 CO 0.02 0.32 -0.21 1.25 -1.64 0.00 0.00 178.16 177.90 3kjd h LEU 386 N 0.17 -0.67 0.01 2.82 5.85 -0.51 -2.17 115.31 120.80 3kjd h LEU 386 Ca 0.06 0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 3kjd h LEU 386 Cb 0.15 0.33 0.01 0.00 0.37 0.00 0.00 40.66 41.52 3kjd h LEU 386 CO -0.01 -0.25 -0.58 1.56 -0.34 0.00 0.00 178.44 178.83 3kjd h GLN 387 N -0.20 0.37 0.00 1.25 1.08 -1.21 -3.21 115.11 113.20 3kjd h GLN 387 Ca 0.14 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3kjd h GLN 387 Cb 0.42 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 3kjd h GLN 387 CO -0.37 1.09 0.00 0.66 -0.95 0.00 0.00 178.83 179.26 3kjd h SER 388 N -0.17 0.00 -0.46 1.46 4.64 -0.88 -2.40 113.55 115.74 3kjd h SER 388 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kjd h SER 388 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3kjd h SER 388 CO 0.11 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.42 3kjd n THR 389 N -2.66 1.77 -2.15 2.95 -2.24 -0.82 -3.91 114.28 107.21 3kjd n THR 389 Ca 0.03 -1.34 -0.43 0.00 -2.27 0.00 0.00 64.05 60.04 3kjd n THR 389 Cb 0.36 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 3kjd n THR 389 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kjd s HIS 390 N -1.92 2.25 0.40 4.78 5.04 -0.91 -2.36 115.29 122.57 3kjd s HIS 390 Ca 0.41 0.52 -0.24 0.00 -1.54 0.00 0.00 55.06 54.21 3kjd s HIS 390 Cb 0.28 -3.84 -0.09 0.00 0.04 0.00 0.00 32.58 28.97 3kjd s HIS 390 CO 0.18 -2.98 1.06 0.00 -2.34 0.00 0.00 174.74 170.65 3kjd s ALA 391 N 4.28 3.09 0.47 1.58 0.00 -1.26 -4.95 121.76 124.97 3kjd s ALA 391 Ca 0.68 0.72 0.14 0.00 0.00 0.00 0.00 51.96 53.49 3kjd s ALA 391 Cb -0.27 -3.28 1.09 0.00 0.00 0.00 0.00 23.12 20.66 3kjd s ALA 391 CO 0.26 -0.23 2.06 -1.35 0.00 0.00 0.00 175.76 176.49 3kjd h PRO 392 N 2.49 0.07 -0.10 0.00 0.11 -2.00 -2.43 132.00 130.14 3kjd h PRO 392 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kjd h PRO 392 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kjd h PRO 392 CO 0.62 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.80 3kjd n THR 393 N -4.43 0.12 -2.28 -1.15 -2.24 -1.26 -3.88 114.28 99.17 3kjd n THR 393 Ca -0.02 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 3kjd n THR 393 Cb 0.16 0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 3kjd n THR 393 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kjd n HIS 394 N -0.07 3.23 1.02 4.78 8.25 -0.91 -4.84 115.22 126.68 3kjd n HIS 394 Ca 0.16 -2.80 0.05 0.00 -0.26 0.00 0.00 57.72 54.87 3kjd n HIS 394 Cb 0.24 -0.66 0.13 0.00 1.12 0.00 0.00 29.99 30.83 3kjd n HIS 394 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kjd n SER 395 N -0.46 1.64 -0.04 0.41 3.41 -1.25 -3.94 113.62 113.39 3kjd n SER 395 Ca 0.45 -2.01 0.14 0.00 -0.26 0.00 0.00 58.87 57.20 3kjd n SER 395 Cb 0.43 -0.21 0.68 0.00 -0.26 0.00 0.00 64.21 64.85 3kjd n SER 395 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kjd n ASP 396 N 0.38 0.17 -3.74 4.04 5.75 -1.26 -4.85 116.55 117.04 3kjd n ASP 396 Ca 0.10 -0.23 -0.10 0.00 -0.01 0.00 0.00 54.79 54.55 3kjd n ASP 396 Cb 0.26 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 3kjd n ASP 396 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3kjd s TYR 397 N -2.60 -0.09 0.43 2.11 -0.85 -1.25 -4.57 117.35 110.53 3kjd s TYR 397 Ca 0.27 -0.25 0.06 0.00 -0.52 0.00 0.00 57.07 56.63 3kjd s TYR 397 Cb 0.20 0.34 -0.06 0.00 0.38 0.00 0.00 41.96 42.81 3kjd s TYR 397 CO 0.48 -0.87 0.05 0.95 -1.52 0.00 0.00 175.55 174.65 3kjd s THR 398 N -3.87 1.94 -0.02 -3.49 -4.23 -0.86 -4.93 115.64 100.18 3kjd s THR 398 Ca 0.09 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 3kjd s THR 398 Cb -0.00 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 3kjd s THR 398 CO -0.04 0.00 -0.20 -0.04 -0.54 0.00 0.00 174.62 173.80 3kjd s MET 399 N -3.79 1.71 -0.17 3.99 -1.94 -1.26 0.38 119.30 118.23 3kjd s MET 399 Ca 0.32 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 3kjd s MET 399 Cb 0.07 -1.61 0.00 0.00 2.01 0.00 0.00 34.83 35.31 3kjd s MET 399 CO 0.17 0.39 -0.15 0.99 -0.01 0.00 0.00 175.02 176.41 3kjd s THR 400 N -0.36 2.61 -0.44 2.05 2.01 0.55 -4.98 115.64 117.09 3kjd s THR 400 Ca 0.05 -0.78 -0.28 0.00 0.31 0.00 0.00 61.69 60.99 3kjd s THR 400 Cb -0.09 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.31 3kjd s THR 400 CO 0.00 0.51 1.52 -0.22 -0.69 0.00 0.00 174.62 175.74 3kjd s LEU 401 N 0.97 3.51 -0.04 4.42 2.96 -1.26 -0.32 118.68 128.91 3kjd s LEU 401 Ca -0.02 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.54 3kjd s LEU 401 Cb -0.15 -3.35 -0.31 0.00 0.50 0.00 0.00 46.19 42.88 3kjd s LEU 401 CO -0.03 -1.62 0.71 -0.07 -1.32 0.00 0.00 176.35 174.02 3kjd h LEU 402 N 12.99 0.61 -7.23 -0.68 3.38 -1.12 -3.48 115.31 119.77 3kjd h LEU 402 Ca -0.28 -0.89 -0.02 0.00 0.09 0.00 0.00 57.88 56.78 3kjd h LEU 402 Cb 1.12 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 3kjd h LEU 402 CO 1.11 1.75 0.15 -0.62 0.09 0.00 0.00 178.44 180.91 3kjd s ASP 403 N -7.28 -0.45 -0.02 -0.43 -1.08 -1.11 -5.00 116.67 101.29 3kjd s ASP 403 Ca -0.15 -0.16 0.02 0.00 -0.52 0.00 0.00 52.55 51.73 3kjd s ASP 403 Cb 0.05 0.59 0.01 0.00 -1.46 0.00 0.00 42.92 42.11 3kjd s ASP 403 CO 0.86 -1.00 -0.05 -0.22 0.52 0.00 0.00 175.17 175.28 3kjd s LEU 404 N -2.79 1.66 -0.03 -1.34 2.96 -1.26 -0.97 118.68 116.92 3kjd s LEU 404 Ca 0.03 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3kjd s LEU 404 Cb -0.01 -0.38 -0.00 0.00 0.50 0.00 0.00 46.19 46.29 3kjd s LEU 404 CO -0.10 0.01 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.44 3kjd s PHE 405 N 0.38 1.38 0.16 5.38 0.08 -0.41 -1.01 117.98 123.94 3kjd s PHE 405 Ca -0.05 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.40 3kjd s PHE 405 Cb -0.09 -0.92 -0.07 0.00 -0.57 0.00 0.00 43.02 41.37 3kjd s PHE 405 CO -0.00 -0.09 0.85 -2.00 -0.10 0.00 0.00 175.22 173.87 3kjd s GLU 406 N -0.07 4.65 -0.15 0.44 2.12 0.34 -0.83 118.70 125.21 3kjd s GLU 406 Ca 0.00 1.28 -0.02 0.00 0.36 0.00 0.00 54.97 56.59 3kjd s GLU 406 Cb -0.09 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3kjd s GLU 406 CO 0.01 0.46 -0.09 0.08 -0.54 0.00 0.00 175.26 175.17 3kjd s VAL 407 N -0.80 3.34 -0.37 3.70 1.01 0.51 -1.39 120.40 126.40 3kjd s VAL 407 Ca 0.39 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3kjd s VAL 407 Cb -0.23 -2.43 0.12 0.00 0.00 0.00 0.00 36.38 33.83 3kjd s VAL 407 CO 0.28 0.51 0.17 -0.70 0.00 0.00 0.00 175.10 175.36 3kjd s GLU 408 N 0.45 0.89 -0.04 2.72 2.12 -0.78 -4.20 118.70 119.86 3kjd s GLU 408 Ca -0.07 -1.47 -0.30 0.00 0.36 0.00 0.00 54.97 53.49 3kjd s GLU 408 Cb -0.15 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.23 3kjd s GLU 408 CO 0.04 -1.10 0.98 0.21 -0.54 0.00 0.00 175.26 174.85 3kjd s LYS 409 N 1.04 4.51 -0.21 4.30 2.47 -1.26 -1.33 119.74 129.25 3kjd s LYS 409 Ca 0.14 1.39 -0.40 0.00 -1.56 0.00 0.00 55.97 55.54 3kjd s LYS 409 Cb -0.21 -3.49 -0.16 0.00 -1.46 0.00 0.00 37.83 32.51 3kjd s LYS 409 CO -0.11 -0.13 1.66 -0.25 0.16 0.00 0.00 175.35 176.68 3kjd n ASP 410 N 4.26 2.19 0.00 1.43 9.92 -1.17 -2.47 116.55 130.71 3kjd n ASP 410 Ca 0.07 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 3kjd n ASP 410 Cb 0.50 -1.14 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 3kjd n ASP 410 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kjd n GLY 411 N 3.84 2.77 0.24 0.44 0.00 -1.26 -4.93 105.19 106.30 3kjd n GLY 411 Ca 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 3kjd n GLY 411 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kjd h GLU 412 N 0.00 0.38 -0.13 1.61 5.08 -1.86 -1.63 114.58 118.03 3kjd h GLU 412 Ca 0.00 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3kjd h GLU 412 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kjd h GLU 412 CO 0.00 0.54 0.06 -0.22 -1.00 0.00 0.00 179.01 178.38 3kjd h LYS 413 N 0.36 0.19 -0.19 2.33 3.64 -1.92 -1.84 116.57 119.14 3kjd h LYS 413 Ca 0.07 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 3kjd h LYS 413 Cb 0.49 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3kjd h LYS 413 CO 0.03 0.27 -0.57 0.93 -2.27 0.00 0.00 179.45 177.84 3kjd h GLU 414 N 0.07 0.58 0.00 1.90 3.07 -1.90 -3.04 114.58 115.27 3kjd h GLU 414 Ca 0.04 -0.38 -0.07 0.00 -0.50 0.00 0.00 59.36 58.46 3kjd h GLU 414 Cb 0.15 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3kjd h GLU 414 CO -0.00 0.99 -0.32 0.00 -1.40 0.00 0.00 179.01 178.28 3kjd h ALA 415 N 0.92 0.90 -2.93 3.43 0.00 -1.23 -3.47 119.26 116.88 3kjd h ALA 415 Ca 0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 3kjd h ALA 415 Cb 1.13 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.97 3kjd h ALA 415 CO 0.11 0.40 0.77 0.12 0.00 0.00 0.00 179.25 180.65 3kjd s PHE 416 N -3.40 2.64 -1.20 0.00 5.36 -0.70 -4.82 117.98 115.86 3kjd s PHE 416 Ca 0.02 1.17 -0.17 0.00 -0.96 0.00 0.00 56.93 56.98 3kjd s PHE 416 Cb 0.09 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.75 3kjd s PHE 416 CO 0.68 -2.92 2.08 0.54 -1.46 0.00 0.00 175.22 174.14 3kjd n ARG 417 N 0.60 2.37 0.17 10.12 5.12 0.47 -4.72 116.66 130.78 3kjd n ARG 417 Ca 0.01 -2.39 0.10 0.00 -1.93 0.00 0.00 57.85 53.65 3kjd n ARG 417 Cb 0.39 -3.20 0.62 0.00 -1.16 0.00 0.00 32.46 29.12 3kjd n ARG 417 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3kjd h GLU 418 N 6.91 0.07 -0.23 5.56 5.08 -1.89 -2.75 114.58 127.33 3kjd h GLU 418 Ca 0.50 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.78 3kjd h GLU 418 Cb 0.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3kjd h GLU 418 CO 1.86 0.05 -0.18 0.38 -1.00 0.00 0.00 179.01 180.12 3kjd h ASP 419 N 0.08 0.38 -3.90 1.42 2.03 -2.01 -3.45 116.42 110.97 3kjd h ASP 419 Ca 0.07 -0.10 -0.52 0.00 -0.73 0.00 0.00 57.03 55.75 3kjd h ASP 419 Cb 0.20 -0.10 0.07 0.00 -0.83 0.00 0.00 39.33 38.67 3kjd h ASP 419 CO -0.01 0.58 0.63 -0.76 -1.03 0.00 0.00 179.24 178.66 3kjd s LEU 420 N -8.73 4.38 1.05 0.15 1.43 -1.04 -5.01 118.68 110.91 3kjd s LEU 420 Ca -0.06 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.58 3kjd s LEU 420 Cb 0.15 -3.71 0.21 0.00 0.03 0.00 0.00 46.19 42.87 3kjd s LEU 420 CO 0.77 -0.61 1.11 -1.38 0.23 0.00 0.00 176.35 176.47 3kjd s HIS 421 N -1.17 1.67 -1.05 0.29 -3.43 -1.26 -4.43 115.29 105.90 3kjd s HIS 421 Ca 0.51 0.79 -0.06 0.00 -0.80 0.00 0.00 55.06 55.50 3kjd s HIS 421 Cb -0.39 -3.37 0.01 0.00 -1.43 0.00 0.00 32.58 27.40 3kjd s HIS 421 CO 0.52 -3.13 0.92 -1.71 -2.00 0.00 0.00 174.74 169.33 3kjd n ASN 422 N -4.30 -4.91 -4.66 7.38 5.15 -1.26 -0.82 115.26 111.85 3kjd n ASN 422 Ca 0.08 -0.44 -0.43 0.00 -0.60 0.00 0.00 54.58 53.19 3kjd n ASN 422 Cb 0.58 -4.10 -0.02 0.00 -0.53 0.00 0.00 39.78 35.71 3kjd n ASN 422 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3kjd s ARG 423 N -5.88 4.23 0.11 1.20 3.52 -1.26 -2.76 118.95 118.11 3kjd s ARG 423 Ca 0.39 1.60 0.09 0.00 -0.13 0.00 0.00 55.73 57.68 3kjd s ARG 423 Cb -0.17 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 3kjd s ARG 423 CO 0.58 -0.71 -0.23 -1.64 -0.81 0.00 0.00 175.30 172.49 3kjd s MET 424 N 3.47 1.22 -0.37 5.12 -1.94 -0.65 -1.13 119.30 125.02 3kjd s MET 424 Ca 0.53 -1.22 -0.17 0.00 -1.71 0.00 0.00 55.69 53.11 3kjd s MET 424 Cb -0.20 -1.56 -0.00 0.00 2.01 0.00 0.00 34.83 35.07 3kjd s MET 424 CO 0.13 0.37 0.46 -1.17 -0.01 0.00 0.00 175.02 174.80 3kjd s LEU 425 N -1.95 4.48 0.13 -0.03 2.96 -0.40 -0.25 118.68 123.61 3kjd s LEU 425 Ca 0.09 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3kjd s LEU 425 Cb -0.10 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3kjd s LEU 425 CO 0.05 -0.47 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.72 3kjd s LEU 426 N 2.25 2.45 0.24 -0.68 1.43 0.04 -4.64 118.68 119.78 3kjd s LEU 426 Ca 0.16 -0.87 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 3kjd s LEU 426 Cb -0.16 -0.47 -0.09 0.00 0.03 0.00 0.00 46.19 45.50 3kjd s LEU 426 CO 0.13 -0.21 0.85 0.26 0.23 0.00 0.00 176.35 177.61 3kjd s TRP 427 N -2.53 3.80 -0.04 0.29 0.52 -0.63 -1.30 118.94 119.05 3kjd s TRP 427 Ca 0.11 1.68 -0.01 0.00 0.02 0.00 0.00 56.10 57.90 3kjd s TRP 427 Cb -0.02 -2.82 0.03 0.00 -1.15 0.00 0.00 33.47 29.50 3kjd s TRP 427 CO 0.02 0.37 0.04 -1.58 0.02 0.00 0.00 176.95 175.82 3kjd s HIS 428 N -1.38 0.17 0.18 -1.98 2.46 0.21 -1.77 115.29 113.18 3kjd s HIS 428 Ca 0.43 0.13 0.06 0.00 0.47 0.00 0.00 55.06 56.15 3kjd s HIS 428 Cb -0.21 -0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 31.75 3kjd s HIS 428 CO 0.25 -0.17 0.12 0.20 -2.47 0.00 0.00 174.74 172.67 3kjd s GLY 429 N 1.70 1.67 0.19 1.59 0.00 -1.24 -1.42 107.32 109.81 3kjd s GLY 429 Ca -0.01 -1.28 -0.21 0.00 0.00 0.00 0.00 44.72 43.23 3kjd s GLY 429 CO -0.03 -1.30 0.58 -0.45 0.00 0.00 0.00 173.10 171.90 3kjd s SER 430 N -3.20 -0.40 0.70 1.64 0.15 -1.23 -4.69 113.70 106.66 3kjd s SER 430 Ca 0.31 -0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.55 3kjd s SER 430 Cb -0.09 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 3kjd s SER 430 CO 0.23 -1.04 1.17 -0.13 1.20 0.00 0.00 173.24 174.66 3kjd s ARG 431 N -3.82 2.44 0.51 5.44 0.52 -1.17 -4.14 118.95 118.74 3kjd s ARG 431 Ca 0.05 1.61 0.25 0.00 -0.52 0.00 0.00 55.73 57.12 3kjd s ARG 431 Cb -0.02 -1.88 1.39 0.00 0.52 0.00 0.00 34.95 34.96 3kjd s ARG 431 CO -0.07 -1.58 2.08 0.52 0.02 0.00 0.00 175.30 176.27 3kjd h MET 432 N -0.12 0.00 0.00 3.54 2.86 -1.93 -1.07 114.93 118.22 3kjd h MET 432 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3kjd h MET 432 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 3kjd h MET 432 CO 0.52 0.12 0.00 0.66 1.06 0.00 0.00 176.91 179.26 3kjd h SER 433 N 0.00 0.00 -0.01 1.22 4.64 -1.91 -3.32 113.55 114.17 3kjd h SER 433 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kjd h SER 433 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3kjd h SER 433 CO 0.02 0.00 -0.55 0.59 -0.87 0.00 0.00 176.83 176.01 3kjd n ASN 434 N -2.48 1.66 0.10 4.97 3.02 -0.40 -4.33 115.26 117.80 3kjd n ASN 434 Ca -0.00 -1.33 -0.04 0.00 -0.03 0.00 0.00 54.58 53.18 3kjd n ASN 434 Cb 0.15 0.61 0.05 0.00 -0.61 0.00 0.00 39.78 39.97 3kjd n ASN 434 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3kjd h TRP 435 N 1.68 0.06 -0.55 3.10 4.06 -1.72 -1.43 115.95 121.15 3kjd h TRP 435 Ca 0.00 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.92 3kjd h TRP 435 Cb 0.63 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.76 3kjd h TRP 435 CO 0.00 0.81 0.37 0.28 -3.56 0.00 0.00 178.44 176.33 3kjd h VAL 436 N 0.03 1.14 -0.22 1.49 2.07 -1.82 -0.09 116.25 118.83 3kjd h VAL 436 Ca -0.01 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3kjd h VAL 436 Cb 1.38 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3kjd h VAL 436 CO 0.11 0.14 0.01 1.23 0.02 0.00 0.00 177.57 179.07 3kjd h GLY 437 N 0.75 0.41 0.98 2.17 0.00 -1.68 -0.84 103.07 104.86 3kjd h GLY 437 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3kjd h GLY 437 CO -0.05 0.27 0.26 -2.22 0.00 0.00 0.00 176.54 174.81 3kjd h ILE 438 N 0.16 1.17 -0.22 2.60 2.04 -1.10 0.12 117.51 122.28 3kjd h ILE 438 Ca 0.06 -0.43 -0.18 0.00 1.00 0.00 0.00 64.86 65.31 3kjd h ILE 438 Cb 0.37 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3kjd h ILE 438 CO 0.01 0.18 -0.60 -0.07 0.00 0.00 0.00 178.15 177.67 3kjd h LEU 439 N 0.64 0.81 -0.16 1.44 3.38 -0.99 0.35 115.31 120.77 3kjd h LEU 439 Ca 0.17 -0.45 -0.22 0.00 0.09 0.00 0.00 57.88 57.46 3kjd h LEU 439 Cb 0.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kjd h LEU 439 CO -0.03 1.22 -0.96 0.77 0.09 0.00 0.00 178.44 179.53 3kjd h SER 440 N 0.54 0.45 -0.00 -0.43 4.64 -1.08 -3.37 113.55 114.30 3kjd h SER 440 Ca -0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3kjd h SER 440 Cb 1.18 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3kjd h SER 440 CO 0.12 1.19 -0.46 1.41 -0.87 0.00 0.00 176.83 178.22 3kjd n HIS 441 N -3.70 0.00 -0.13 4.77 8.25 0.42 -4.91 115.22 119.92 3kjd n HIS 441 Ca -0.06 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.42 3kjd n HIS 441 Cb 0.85 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.96 3kjd n HIS 441 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kjd n GLY 442 N 1.18 -1.90 3.74 -1.41 0.00 0.12 -4.82 105.19 102.10 3kjd n GLY 442 Ca 0.03 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 3kjd n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjd s LEU 443 N -4.79 4.42 0.14 0.99 1.43 -1.26 -4.53 118.68 115.08 3kjd s LEU 443 Ca 0.00 2.48 0.10 0.00 -1.03 0.00 0.00 54.13 55.68 3kjd s LEU 443 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3kjd s LEU 443 CO 0.00 -0.54 -0.23 -0.13 0.23 0.00 0.00 176.35 175.68 3kjd s ARG 444 N -0.43 1.32 0.80 1.70 0.52 -1.26 -4.84 118.95 116.76 3kjd s ARG 444 Ca 0.56 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 54.32 3kjd s ARG 444 Cb -0.38 -1.64 0.07 0.00 0.52 0.00 0.00 34.95 33.53 3kjd s ARG 444 CO 0.41 0.37 1.09 0.96 0.02 0.00 0.00 175.30 178.15 3kjd s ILE 445 N -1.38 3.18 0.78 1.52 -4.36 -1.26 -4.70 121.20 114.98 3kjd s ILE 445 Ca 0.13 0.38 -0.14 0.00 -0.26 0.00 0.00 60.65 60.77 3kjd s ILE 445 Cb -0.09 -2.98 0.07 0.00 1.25 0.00 0.00 42.46 40.70 3kjd s ILE 445 CO 0.06 -0.50 1.20 0.00 0.24 0.00 0.00 174.94 175.95 3kjd s ALA 446 N -3.01 1.94 0.25 2.27 0.00 -1.26 -4.92 121.76 117.03 3kjd s ALA 446 Ca 0.61 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 53.11 3kjd s ALA 446 Cb -0.16 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.34 3kjd s ALA 446 CO 0.56 -2.14 1.34 1.58 0.00 0.00 0.00 175.76 177.10 3kjd n HIS 447 N -3.11 2.04 0.29 0.00 -0.00 -1.26 -4.89 115.22 108.29 3kjd n HIS 447 Ca 0.13 0.49 0.15 0.00 0.46 0.00 0.00 57.72 58.96 3kjd n HIS 447 Cb 0.50 -2.42 0.91 0.00 -0.12 0.00 0.00 29.99 28.86 3kjd n HIS 447 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3kjd h PRO 448 N 3.77 0.00 -0.01 1.57 0.13 -2.03 -1.72 132.00 133.72 3kjd h PRO 448 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kjd h PRO 448 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3kjd h PRO 448 CO 0.72 0.00 -0.19 0.39 -0.23 0.00 0.00 178.00 178.70 3kjd n GLU 449 N -3.85 0.99 -2.08 0.86 -0.58 -1.26 -4.93 120.64 109.78 3kjd n GLU 449 Ca -0.03 -0.55 -0.40 0.00 -0.42 0.00 0.00 57.16 55.76 3kjd n GLU 449 Cb 0.11 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.47 3kjd n GLU 449 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kjd s ALA 450 N -2.39 3.44 0.17 0.62 0.00 -0.65 -4.28 121.76 118.68 3kjd s ALA 450 Ca 0.28 1.27 -0.33 0.00 0.00 0.00 0.00 51.96 53.17 3kjd s ALA 450 Cb 0.20 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 3kjd s ALA 450 CO 0.48 -0.71 1.56 -2.30 0.00 0.00 0.00 175.76 174.79 3kjd n PRO 451 N 0.60 2.16 0.17 0.00 -0.02 -1.26 -4.89 135.00 131.76 3kjd n PRO 451 Ca 0.01 0.78 0.01 0.00 -2.02 0.00 0.00 63.50 62.28 3kjd n PRO 451 Cb 0.42 -2.54 0.31 0.00 -0.02 0.00 0.00 33.50 31.68 3kjd n PRO 451 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kjd h ILE 452 N 3.55 1.31 0.00 4.25 6.09 -1.95 -1.97 117.51 128.79 3kjd h ILE 452 Ca -0.45 -1.48 0.00 0.00 -1.37 0.00 0.00 64.86 61.56 3kjd h ILE 452 Cb 1.25 1.79 0.00 0.00 0.47 0.00 0.00 36.82 40.34 3kjd h ILE 452 CO 0.87 0.42 0.00 0.35 -3.07 0.00 0.00 178.15 176.73 3kjd n THR 453 N -4.03 0.71 0.59 2.19 -2.24 -1.26 -1.04 114.28 109.19 3kjd n THR 453 Ca -0.02 0.18 0.07 0.00 -2.27 0.00 0.00 64.05 62.01 3kjd n THR 453 Cb 0.46 -0.89 0.33 0.00 -2.10 0.00 0.00 70.33 68.13 3kjd n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjd n GLY 454 N 0.23 -0.85 2.81 3.38 0.00 -0.74 -4.69 105.19 105.33 3kjd n GLY 454 Ca 0.06 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3kjd n GLY 454 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kjd s TYR 455 N -2.75 1.82 0.37 1.61 2.02 -0.21 -4.85 117.35 115.36 3kjd s TYR 455 Ca 0.11 -1.53 0.13 0.00 -0.37 0.00 0.00 57.07 55.40 3kjd s TYR 455 Cb 0.09 -1.52 0.93 0.00 -0.40 0.00 0.00 41.96 41.07 3kjd s TYR 455 CO 0.23 -0.76 1.83 1.98 -1.57 0.00 0.00 175.55 177.26 3kjd h MET 456 N 8.07 0.55 -0.13 -0.62 1.85 -1.83 -2.32 114.93 120.50 3kjd h MET 456 Ca -0.15 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 58.77 3kjd h MET 456 Cb 1.07 -0.12 -0.18 0.00 0.43 0.00 0.00 31.60 32.79 3kjd h MET 456 CO 0.41 0.36 -0.71 1.19 -0.40 0.00 0.00 176.91 177.76 3kjd n PHE 457 N -4.59 0.45 -0.60 1.39 3.72 -1.26 -0.95 117.46 115.62 3kjd n PHE 457 Ca 0.20 -1.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.21 3kjd n PHE 457 Cb 0.62 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 3kjd n PHE 457 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kjd n GLY 458 N -0.64 -2.89 3.22 1.37 0.00 -0.87 -4.23 105.19 101.15 3kjd n GLY 458 Ca 0.18 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 3kjd n GLY 458 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kjd n LYS 459 N -0.39 3.38 -1.88 1.61 5.02 -1.26 -4.81 118.16 119.83 3kjd n LYS 459 Ca 0.00 -3.54 0.00 0.00 -2.02 0.00 0.00 58.31 52.75 3kjd n LYS 459 Cb 0.00 -3.09 0.00 0.00 -0.02 0.00 0.00 35.03 31.92 3kjd n LYS 459 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjd n GLY 460 N 3.86 4.36 3.65 0.72 0.00 -1.26 -4.46 105.19 112.05 3kjd n GLY 460 Ca 0.41 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3kjd n GLY 460 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjd s ILE 461 N -1.07 5.02 -0.09 -0.61 1.01 0.15 -4.36 121.20 121.25 3kjd s ILE 461 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 3kjd s ILE 461 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3kjd s ILE 461 CO 0.00 0.42 0.12 -0.31 0.00 0.00 0.00 174.94 175.17 3kjd s TYR 462 N 0.62 3.49 0.03 3.97 1.51 -1.26 -2.12 117.35 123.59 3kjd s TYR 462 Ca 0.05 0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 56.54 3kjd s TYR 462 Cb -0.13 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 3kjd s TYR 462 CO 0.01 0.67 -0.03 -0.06 -1.11 0.00 0.00 175.55 175.02 3kjd s PHE 463 N -1.05 0.37 0.27 2.71 0.08 -0.02 -4.79 117.98 115.54 3kjd s PHE 463 Ca 0.17 -0.70 0.11 0.00 0.12 0.00 0.00 56.93 56.63 3kjd s PHE 463 Cb -0.12 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 42.02 3kjd s PHE 463 CO 0.06 -0.24 -0.18 0.00 -0.10 0.00 0.00 175.22 174.76 3kjd s ALA 464 N -2.24 2.62 -2.13 5.36 0.00 -0.73 -0.97 121.76 123.66 3kjd s ALA 464 Ca -0.08 -1.85 0.19 0.00 0.00 0.00 0.00 51.96 50.22 3kjd s ALA 464 Cb -0.04 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 22.96 3kjd s ALA 464 CO -0.04 0.22 1.05 -0.40 0.00 0.00 0.00 175.76 176.59 3kjd n ASP 465 N -0.59 2.28 -4.33 0.00 5.68 -1.26 -1.61 116.55 116.72 3kjd n ASP 465 Ca -0.06 -1.64 -0.36 0.00 -0.50 0.00 0.00 54.79 52.24 3kjd n ASP 465 Cb 0.60 0.20 -0.13 0.00 -1.14 0.00 0.00 41.12 40.65 3kjd n ASP 465 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3kjd s MET 466 N -1.84 3.30 0.31 0.11 -1.94 -1.26 -4.88 119.30 113.11 3kjd s MET 466 Ca 0.20 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 3kjd s MET 466 Cb 0.16 -3.14 0.73 0.00 2.01 0.00 0.00 34.83 34.59 3kjd s MET 466 CO 0.34 -0.27 1.81 0.66 -0.01 0.00 0.00 175.02 177.54 3kjd h SER 467 N 8.15 0.78 1.06 3.03 4.64 -1.75 -1.61 113.55 127.85 3kjd h SER 467 Ca -0.38 0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 60.87 3kjd h SER 467 Cb 1.15 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3kjd h SER 467 CO 0.60 0.33 -0.69 0.77 -0.87 0.00 0.00 176.83 176.97 3kjd h SER 468 N 0.79 0.00 -0.35 4.97 4.64 -1.88 -0.66 113.55 121.06 3kjd h SER 468 Ca 0.54 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.89 3kjd h SER 468 Cb 0.80 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 3kjd h SER 468 CO -0.32 0.69 0.15 0.50 -0.87 0.00 0.00 176.83 176.98 3kjd h LYS 469 N 0.00 0.31 -0.43 4.77 3.64 -1.60 -1.21 116.57 122.05 3kjd h LYS 469 Ca -0.01 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3kjd h LYS 469 Cb 1.40 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3kjd h LYS 469 CO 0.09 0.21 -0.13 0.77 -2.27 0.00 0.00 179.45 178.11 3kjd h SER 470 N 0.32 0.86 0.12 4.20 0.02 -1.49 -3.26 113.55 114.33 3kjd h SER 470 Ca 0.15 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3kjd h SER 470 Cb 0.09 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 3kjd h SER 470 CO -0.13 1.04 -0.12 0.00 -1.14 0.00 0.00 176.83 176.48 3kjd h ALA 471 N 0.85 1.78 -0.79 3.77 0.00 -0.85 -0.72 119.26 123.30 3kjd h ALA 471 Ca 0.11 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kjd h ALA 471 Cb 0.68 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3kjd h ALA 471 CO 0.05 0.15 0.51 -0.91 0.00 0.00 0.00 179.25 179.05 3kjd h ASN 472 N 0.00 0.65 0.17 0.00 2.35 -1.27 -0.60 115.58 116.89 3kjd h ASN 472 Ca -0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3kjd h ASN 472 Cb 0.21 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kjd h ASN 472 CO 0.02 0.39 0.00 -1.22 -1.65 0.00 0.00 177.43 174.97 3kjd n TYR 473 N -4.50 0.00 0.21 1.19 4.01 -0.28 -1.72 117.16 116.07 3kjd n TYR 473 Ca 0.13 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.96 3kjd n TYR 473 Cb 0.32 -0.12 0.41 0.00 -0.31 0.00 0.00 39.34 39.64 3kjd n TYR 473 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kjd n PHE 475 N -3.43 -2.05 -1.27 0.00 3.72 -0.70 -4.30 117.46 109.44 3kjd n PHE 475 Ca 0.00 0.86 -0.29 0.00 -0.05 0.00 0.00 57.45 57.97 3kjd n PHE 475 Cb 0.46 -3.53 0.15 0.00 -0.94 0.00 0.00 39.48 35.61 3kjd n PHE 475 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kjd s ALA 476 N -3.31 1.40 0.27 4.37 0.00 -1.26 -5.00 121.76 118.24 3kjd s ALA 476 Ca 0.69 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 3kjd s ALA 476 Cb -0.36 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3kjd s ALA 476 CO 0.87 -2.48 0.62 -1.54 0.00 0.00 0.00 175.76 173.24 3kjd s SER 477 N -3.56 -0.17 0.45 0.00 1.04 -0.49 -4.98 113.70 105.98 3kjd s SER 477 Ca 0.64 -0.76 0.16 0.00 0.48 0.00 0.00 55.95 56.47 3kjd s SER 477 Cb -0.17 0.67 1.08 0.00 0.10 0.00 0.00 66.02 67.70 3kjd s SER 477 CO 0.56 -1.27 1.97 0.08 0.98 0.00 0.00 173.24 175.56 3kjd h ARG 478 N 2.10 0.34 -0.16 4.02 0.11 -1.97 -1.61 114.38 117.21 3kjd h ARG 478 Ca -0.22 -0.02 -0.19 0.00 0.10 0.00 0.00 59.98 59.64 3kjd h ARG 478 Cb 1.25 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 32.26 3kjd h ARG 478 CO 0.29 0.23 -0.65 -0.07 0.10 0.00 0.00 179.97 179.86 3kjd h LEU 479 N 0.35 0.85 -6.92 0.08 4.07 -2.00 -3.38 115.31 108.37 3kjd h LEU 479 Ca 0.29 -0.62 -0.61 0.00 0.08 0.00 0.00 57.88 57.02 3kjd h LEU 479 Cb 0.66 -0.25 -0.41 0.00 1.08 0.00 0.00 40.66 41.75 3kjd h LEU 479 CO -0.08 1.32 -0.71 -0.54 -1.08 0.00 0.00 178.44 177.36 3kjd s LYS 480 N -3.80 1.79 -0.06 1.13 3.01 -0.66 -4.97 119.74 116.19 3kjd s LYS 480 Ca -0.11 -2.70 0.20 0.00 -1.01 0.00 0.00 55.97 52.35 3kjd s LYS 480 Cb 0.08 -2.69 0.68 0.00 -1.01 0.00 0.00 37.83 34.88 3kjd s LYS 480 CO 0.88 -1.27 1.58 0.27 0.51 0.00 0.00 175.35 177.32 3kjd n ASN 481 N 2.62 4.30 -4.45 2.83 6.94 -0.89 -1.40 115.26 125.21 3kjd n ASN 481 Ca 0.18 -2.23 -0.35 0.00 -0.02 0.00 0.00 54.58 52.16 3kjd n ASN 481 Cb 0.38 -0.53 -0.12 0.00 -2.36 0.00 0.00 39.78 37.14 3kjd n ASN 481 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kjd s THR 482 N -1.47 4.11 0.40 5.53 2.01 -1.26 -0.54 115.64 124.41 3kjd s THR 482 Ca 0.49 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 62.29 3kjd s THR 482 Cb 0.29 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 3kjd s THR 482 CO 0.28 0.40 0.18 -0.83 -0.69 0.00 0.00 174.62 173.96 3kjd s GLY 483 N 1.21 2.59 0.12 4.40 0.00 -0.54 -4.99 107.32 110.11 3kjd s GLY 483 Ca 0.04 -1.42 0.09 0.00 0.00 0.00 0.00 44.72 43.43 3kjd s GLY 483 CO 0.02 -1.73 -0.21 1.08 0.00 0.00 0.00 173.10 172.26 3kjd s LEU 484 N -3.55 2.34 -0.00 0.66 1.43 -1.26 -0.71 118.68 117.58 3kjd s LEU 484 Ca 0.28 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3kjd s LEU 484 Cb 0.02 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 3kjd s LEU 484 CO 0.18 0.05 -0.06 -0.76 0.23 0.00 0.00 176.35 175.99 3kjd s LEU 485 N -2.11 2.02 -0.11 1.79 1.43 -0.51 -4.37 118.68 116.81 3kjd s LEU 485 Ca 0.09 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3kjd s LEU 485 Cb -0.09 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 3kjd s LEU 485 CO 0.05 0.06 -0.09 -0.22 0.23 0.00 0.00 176.35 176.39 3kjd s LEU 486 N -0.21 3.01 -0.13 1.79 2.96 -0.51 0.03 118.68 125.63 3kjd s LEU 486 Ca 0.02 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3kjd s LEU 486 Cb -0.03 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3kjd s LEU 486 CO -0.00 0.24 0.02 -0.76 -1.32 0.00 0.00 176.35 174.53 3kjd s LEU 487 N -0.05 3.67 0.04 -0.68 1.43 -0.22 -0.62 118.68 122.25 3kjd s LEU 487 Ca -0.01 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3kjd s LEU 487 Cb -0.14 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3kjd s LEU 487 CO 0.03 0.29 -0.09 -0.44 0.23 0.00 0.00 176.35 176.38 3kjd s SER 488 N -0.37 1.01 -0.11 2.29 0.01 -0.42 -1.46 113.70 114.65 3kjd s SER 488 Ca 0.08 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 3kjd s SER 488 Cb -0.12 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 3kjd s SER 488 CO 0.02 -0.14 1.11 -1.61 0.41 0.00 0.00 173.24 173.03 3kjd s GLU 489 N -1.42 4.35 -0.19 12.44 2.02 0.19 -0.78 118.70 135.31 3kjd s GLU 489 Ca -0.07 1.52 0.01 0.00 0.02 0.00 0.00 54.97 56.45 3kjd s GLU 489 Cb -0.09 -3.59 0.02 0.00 0.10 0.00 0.00 34.13 30.57 3kjd s GLU 489 CO 0.01 -0.46 -0.18 0.08 0.02 0.00 0.00 175.26 174.73 3kjd s VAL 490 N 2.45 2.19 -1.00 2.63 1.01 0.66 -1.24 120.40 127.11 3kjd s VAL 490 Ca 0.51 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 3kjd s VAL 490 Cb -0.20 -1.96 0.09 0.00 0.00 0.00 0.00 36.38 34.30 3kjd s VAL 490 CO 0.17 0.48 1.33 0.00 0.00 0.00 0.00 175.10 177.09 3kjd s ALA 491 N 1.29 3.03 0.13 5.51 0.00 -0.20 -1.64 121.76 129.88 3kjd s ALA 491 Ca 0.04 -2.51 0.03 0.00 0.00 0.00 0.00 51.96 49.52 3kjd s ALA 491 Cb -0.14 -4.34 -0.15 0.00 0.00 0.00 0.00 23.12 18.49 3kjd s ALA 491 CO -0.11 -3.34 1.28 -0.07 0.00 0.00 0.00 175.76 173.52 3kjd h LEU 492 N 11.77 0.16 0.00 0.00 3.38 -1.61 -3.47 115.31 125.54 3kjd h LEU 492 Ca 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kjd h LEU 492 Cb 1.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3kjd h LEU 492 CO 1.30 1.07 0.00 0.61 0.09 0.00 0.00 178.44 181.51 3kjd n GLY 493 N 1.23 2.41 3.72 0.83 0.00 0.00 -3.42 105.19 109.95 3kjd n GLY 493 Ca -0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3kjd n GLY 493 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kjd s GLN 494 N 0.00 4.56 -0.15 1.61 -1.52 -1.26 -4.65 119.66 118.25 3kjd s GLN 494 Ca 0.00 1.33 -0.08 0.00 -1.95 0.00 0.00 55.36 54.66 3kjd s GLN 494 Cb 0.00 -3.44 -0.04 0.00 -0.22 0.00 0.00 33.01 29.31 3kjd s GLN 494 CO 0.00 0.03 0.14 0.00 -0.25 0.00 0.00 175.29 175.20 3kjd s ASN 496 N -0.56 6.63 -0.18 0.00 2.47 0.15 -4.86 114.94 118.60 3kjd s ASN 496 Ca 0.13 0.46 -0.20 0.00 0.42 0.00 0.00 52.86 53.66 3kjd s ASN 496 Cb -0.12 -2.46 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 3kjd s ASN 496 CO 0.02 -0.90 0.58 -1.61 -3.72 0.00 0.00 177.10 171.47 3kjd s GLU 497 N 3.53 4.24 0.06 0.43 2.02 -1.26 -0.98 118.70 126.74 3kjd s GLU 497 Ca 0.38 0.54 0.07 0.00 0.02 0.00 0.00 54.97 55.98 3kjd s GLU 497 Cb -0.11 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 3kjd s GLU 497 CO 0.21 -0.13 -0.18 -0.51 0.02 0.00 0.00 175.26 174.66 3kjd s LEU 498 N 1.56 2.21 0.00 1.80 1.43 0.58 -4.95 118.68 121.31 3kjd s LEU 498 Ca 0.27 -0.55 0.23 0.00 -1.03 0.00 0.00 54.13 53.05 3kjd s LEU 498 Cb -0.16 -0.80 0.07 0.00 0.03 0.00 0.00 46.19 45.33 3kjd s LEU 498 CO 0.11 0.08 1.10 0.18 0.23 0.00 0.00 176.35 178.04 3kjd n LEU 499 N 1.63 0.76 -3.51 1.79 4.77 -1.26 -0.61 117.00 120.57 3kjd n LEU 499 Ca -0.18 -0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 55.44 3kjd n LEU 499 Cb 0.54 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3kjd n LEU 499 CO 0.23 0.18 0.53 -1.83 -1.33 0.00 0.00 177.39 175.16 3kjd s GLU 500 N -3.03 1.16 0.39 3.23 -1.05 -1.26 -4.42 118.70 113.72 3kjd s GLU 500 Ca 0.08 -0.47 -0.26 0.00 -0.15 0.00 0.00 54.97 54.17 3kjd s GLU 500 Cb 0.16 0.51 -0.11 0.00 -0.44 0.00 0.00 34.13 34.25 3kjd s GLU 500 CO 0.80 -0.51 1.24 0.00 0.95 0.00 0.00 175.26 177.74 3kjd n ALA 501 N -0.35 1.13 -3.21 -0.84 0.00 -1.26 -5.00 120.51 110.97 3kjd n ALA 501 Ca -0.12 0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.60 3kjd n ALA 501 Cb 0.63 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 3kjd n ALA 501 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kjd s ASN 502 N -0.49 -0.97 0.58 0.00 3.84 -0.13 -5.03 114.94 112.75 3kjd s ASN 502 Ca 0.59 -0.31 0.33 0.00 0.21 0.00 0.00 52.86 53.69 3kjd s ASN 502 Cb -0.54 1.71 1.81 0.00 -0.55 0.00 0.00 41.25 43.68 3kjd s ASN 502 CO 0.59 -0.28 2.01 -0.65 -2.79 0.00 0.00 177.10 175.98 3kjd h PRO 503 N 7.72 0.00 -0.50 0.43 0.11 -1.65 0.87 132.00 138.98 3kjd h PRO 503 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kjd h PRO 503 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kjd h PRO 503 CO 0.17 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.59 3kjd n LYS 504 N -2.79 2.26 -0.38 1.05 5.02 -1.26 -3.00 118.16 119.07 3kjd n LYS 504 Ca -0.02 -1.71 0.29 0.00 -2.02 0.00 0.00 58.31 54.85 3kjd n LYS 504 Cb 0.20 -1.45 0.57 0.00 -0.02 0.00 0.00 35.03 34.33 3kjd n LYS 504 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kjd h ALA 505 N 3.77 2.41 -0.88 7.82 0.00 -1.03 -1.33 119.26 130.01 3kjd h ALA 505 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3kjd h ALA 505 Cb 0.73 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3kjd h ALA 505 CO 0.04 -0.95 0.57 1.49 0.00 0.00 0.00 179.25 180.40 3kjd h GLU 506 N 0.24 0.92 0.00 0.00 4.81 -1.81 -0.89 114.58 117.84 3kjd h GLU 506 Ca 0.72 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 3kjd h GLU 506 Cb 2.01 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.19 3kjd h GLU 506 CO -0.41 0.61 0.00 0.41 -0.73 0.00 0.00 179.01 178.89 3kjd n GLY 507 N -1.41 -1.41 0.13 1.92 0.00 -0.50 -2.78 105.19 101.14 3kjd n GLY 507 Ca 0.14 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3kjd n GLY 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjd n LEU 508 N -2.25 0.57 -0.01 0.99 4.32 -0.34 -4.38 117.00 115.89 3kjd n LEU 508 Ca 0.03 -0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 55.90 3kjd n LEU 508 Cb 0.29 -0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 41.86 3kjd n LEU 508 CO 0.23 0.11 0.85 -0.07 -1.22 0.00 0.00 177.39 177.29 3kjd h LEU 509 N 0.63 -0.10 -3.77 2.23 3.38 -1.52 -3.47 115.31 112.69 3kjd h LEU 509 Ca 0.00 0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.45 3kjd h LEU 509 Cb 0.41 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kjd h LEU 509 CO 0.00 -0.03 -1.00 0.00 0.09 0.00 0.00 178.44 177.50 3kjd n GLN 510 N -5.15 -0.54 0.00 1.13 3.00 -1.26 -1.87 117.38 112.69 3kjd n GLN 510 Ca -0.04 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3kjd n GLN 510 Cb 0.09 -2.85 0.00 0.00 0.00 0.00 0.00 30.24 27.48 3kjd n GLN 510 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kjd n GLY 511 N -1.98 3.05 3.63 1.08 0.00 -1.26 -5.05 105.19 104.66 3kjd n GLY 511 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3kjd n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjd s LYS 512 N -0.12 0.06 -0.00 1.61 1.02 -0.78 -5.00 119.74 116.53 3kjd s LYS 512 Ca 0.00 0.60 0.05 0.00 0.02 0.00 0.00 55.97 56.64 3kjd s LYS 512 Cb 0.00 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.56 3kjd s LYS 512 CO 0.00 -3.00 0.15 0.72 -0.92 0.00 0.00 175.35 172.30 3kjd n HIS 513 N -4.38 0.00 -3.84 3.18 8.25 -0.10 -4.90 115.22 113.44 3kjd n HIS 513 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 3kjd n HIS 513 Cb 0.56 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 3kjd n HIS 513 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kjd s SER 514 N -1.99 -0.21 -0.13 0.41 1.04 -1.07 -4.59 113.70 107.17 3kjd s SER 514 Ca 0.00 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 3kjd s SER 514 Cb 0.03 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 3kjd s SER 514 CO 0.19 -1.12 -0.10 -0.89 0.98 0.00 0.00 173.24 172.30 3kjd s THR 515 N -3.92 3.37 -0.23 2.02 2.01 -0.63 0.32 115.64 118.58 3kjd s THR 515 Ca 0.13 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 3kjd s THR 515 Cb -0.02 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 70.07 3kjd s THR 515 CO 0.02 0.52 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.65 3kjd s LYS 516 N 0.22 3.10 -0.20 4.92 2.20 -0.15 -0.88 119.74 128.94 3kjd s LYS 516 Ca -0.06 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 54.48 3kjd s LYS 516 Cb -0.15 -2.93 -0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3kjd s LYS 516 CO 0.04 -0.28 0.95 0.20 -0.36 0.00 0.00 175.35 175.90 3kjd s GLY 517 N 1.39 1.92 -0.12 5.54 0.00 -0.18 -0.31 107.32 115.56 3kjd s GLY 517 Ca 0.03 0.13 -0.21 0.00 0.00 0.00 0.00 44.72 44.67 3kjd s GLY 517 CO -0.05 1.96 0.62 1.08 0.00 0.00 0.00 173.10 176.71 3kjd s LEU 518 N 2.70 4.26 0.23 0.66 1.43 0.22 -1.72 118.68 126.45 3kjd s LEU 518 Ca 0.42 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 3kjd s LEU 518 Cb -0.16 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 3kjd s LEU 518 CO 0.10 -0.13 0.24 -0.83 0.23 0.00 0.00 176.35 175.95 3kjd s GLY 519 N 0.86 1.42 0.38 -3.19 0.00 -1.26 -4.04 107.32 101.49 3kjd s GLY 519 Ca 0.32 -1.32 0.09 0.00 0.00 0.00 0.00 44.72 43.82 3kjd s GLY 519 CO 0.14 -1.35 1.91 0.50 0.00 0.00 0.00 173.10 174.30 3kjd h LYS 520 N 1.57 0.24 -4.68 2.90 1.57 -0.49 -3.43 116.57 114.26 3kjd h LYS 520 Ca -0.49 -0.06 -0.51 0.00 -1.87 0.00 0.00 60.65 57.72 3kjd h LYS 520 Cb 1.23 -0.03 -0.33 0.00 0.08 0.00 0.00 32.23 33.18 3kjd h LYS 520 CO 0.62 0.39 -0.81 -1.64 -0.57 0.00 0.00 179.45 177.43 3kjd s MET 521 N -4.71 1.58 0.11 3.15 -1.94 -0.79 -0.78 119.30 115.90 3kjd s MET 521 Ca -0.05 -0.42 -0.17 0.00 -1.71 0.00 0.00 55.69 53.34 3kjd s MET 521 Cb 0.15 -1.34 0.04 0.00 2.01 0.00 0.00 34.83 35.69 3kjd s MET 521 CO 0.73 0.08 0.40 0.00 -0.01 0.00 0.00 175.02 176.23 3kjd s ALA 522 N 0.48 -0.95 0.62 3.03 0.00 -0.59 -4.25 121.76 120.11 3kjd s ALA 522 Ca -0.11 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 3kjd s ALA 522 Cb -0.14 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 3kjd s ALA 522 CO 0.03 -0.60 1.19 -2.30 0.00 0.00 0.00 175.76 174.08 3kjd n PRO 523 N -0.05 1.11 -4.57 0.00 -0.02 -1.26 -1.16 135.00 129.04 3kjd n PRO 523 Ca -0.17 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 3kjd n PRO 523 Cb 0.63 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 3kjd n PRO 523 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kjd s SER 524 N -1.28 3.90 0.60 2.55 1.04 -1.26 -4.87 113.70 114.38 3kjd s SER 524 Ca 0.79 -0.42 0.30 0.00 0.48 0.00 0.00 55.95 57.10 3kjd s SER 524 Cb -0.40 -0.65 1.81 0.00 0.10 0.00 0.00 66.02 66.89 3kjd s SER 524 CO 0.43 0.24 2.22 0.77 0.98 0.00 0.00 173.24 177.88 3kjd h SER 525 N 4.38 0.00 -0.34 7.02 4.64 -1.95 -1.81 113.55 125.49 3kjd h SER 525 Ca -0.48 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.94 3kjd h SER 525 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3kjd h SER 525 CO 0.48 0.00 0.28 0.00 -0.87 0.00 0.00 176.83 176.72 3kjd h ALA 526 N 1.92 2.18 -0.11 5.18 0.00 -1.96 -1.65 119.26 124.82 3kjd h ALA 526 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kjd h ALA 526 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kjd h ALA 526 CO -0.00 -0.45 0.00 0.72 0.00 0.00 0.00 179.25 179.52 3kjd n HIS 527 N -4.16 0.12 -1.91 0.00 -0.00 -0.68 -5.01 115.22 103.58 3kjd n HIS 527 Ca 0.05 -0.06 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 3kjd n HIS 527 Cb 0.45 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.47 3kjd n HIS 527 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3kjd s PHE 528 N -1.88 2.66 0.35 4.41 0.40 -0.62 -4.36 117.98 118.94 3kjd s PHE 528 Ca 0.32 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 58.23 3kjd s PHE 528 Cb 0.21 -3.19 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 3kjd s PHE 528 CO 0.31 -1.61 0.09 0.08 0.70 0.00 0.00 175.22 174.79 3kjd s VAL 529 N -2.20 0.85 0.12 -0.44 1.01 -0.95 -4.97 120.40 113.82 3kjd s VAL 529 Ca 0.68 -2.00 0.08 0.00 0.00 0.00 0.00 61.98 60.74 3kjd s VAL 529 Cb -0.21 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3kjd s VAL 529 CO 0.37 0.00 -0.20 0.42 0.00 0.00 0.00 175.10 175.69 3kjd s THR 530 N -3.32 1.75 -0.22 3.92 -4.23 -1.26 -0.04 115.64 112.25 3kjd s THR 530 Ca 0.31 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3kjd s THR 530 Cb 0.06 -1.63 0.06 0.00 1.34 0.00 0.00 72.50 72.33 3kjd s THR 530 CO 0.15 -0.12 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.88 3kjd s LEU 531 N -2.09 1.94 -1.58 4.79 2.96 0.44 -4.85 118.68 120.29 3kjd s LEU 531 Ca 0.09 -1.03 -0.14 0.00 -0.22 0.00 0.00 54.13 52.82 3kjd s LEU 531 Cb -0.09 -0.91 0.10 0.00 0.50 0.00 0.00 46.19 45.80 3kjd s LEU 531 CO 0.05 -0.27 0.89 0.59 -1.32 0.00 0.00 176.35 176.28 3kjd n ASN 532 N 4.85 -4.00 0.00 3.68 3.02 -1.26 -2.00 115.26 119.55 3kjd n ASN 532 Ca -0.10 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 3kjd n ASN 532 Cb 0.45 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 3kjd n ASN 532 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjd n GLY 533 N -1.60 0.39 3.72 7.41 0.00 -1.26 -5.06 105.19 108.79 3kjd n GLY 533 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3kjd n GLY 533 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kjd s SER 534 N -2.31 5.69 -0.01 1.61 0.01 -0.85 -4.82 113.70 113.03 3kjd s SER 534 Ca 0.00 0.21 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 3kjd s SER 534 Cb 0.00 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 3kjd s SER 534 CO 0.00 0.31 1.42 -0.89 0.41 0.00 0.00 173.24 174.49 3kjd s THR 535 N -0.44 3.69 -0.33 1.44 2.01 -0.29 -0.42 115.64 121.31 3kjd s THR 535 Ca 0.10 1.06 -0.09 0.00 0.31 0.00 0.00 61.69 63.06 3kjd s THR 535 Cb -0.12 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.72 3kjd s THR 535 CO 0.02 -0.01 0.15 -0.69 -0.69 0.00 0.00 174.62 173.40 3kjd s VAL 536 N 2.54 4.42 -1.29 3.82 1.01 0.95 -1.28 120.40 130.58 3kjd s VAL 536 Ca 0.64 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3kjd s VAL 536 Cb -0.31 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 32.86 3kjd s VAL 536 CO 0.26 -0.05 1.79 -0.81 0.00 0.00 0.00 175.10 176.29 3kjd n PRO 537 N 4.95 3.41 -1.83 2.72 -0.04 -1.26 -2.25 135.00 140.70 3kjd n PRO 537 Ca -0.13 -3.47 -0.39 0.00 -0.04 0.00 0.00 63.50 59.47 3kjd n PRO 537 Cb 0.48 -3.06 0.02 0.00 -0.04 0.00 0.00 33.50 30.90 3kjd n PRO 537 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kjd s LEU 538 N 1.05 4.01 0.00 1.53 1.43 -1.26 -4.76 118.68 120.68 3kjd s LEU 538 Ca 0.43 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 56.34 3kjd s LEU 538 Cb 0.06 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.20 3kjd s LEU 538 CO -0.00 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 175.88 3kjd n GLY 539 N 0.64 -0.42 3.71 -3.19 0.00 -1.25 -4.39 105.19 100.28 3kjd n GLY 539 Ca 0.07 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 3kjd n GLY 539 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kjd s PRO 540 N -2.08 1.27 0.45 1.61 0.04 -1.26 -4.94 135.00 130.09 3kjd s PRO 540 Ca 0.00 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 61.82 3kjd s PRO 540 Cb 0.00 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3kjd s PRO 540 CO 0.00 -2.28 0.96 0.00 0.04 0.00 0.00 177.00 175.73 3kjd s ALA 541 N -2.86 3.04 0.23 8.56 0.00 -1.26 -4.31 121.76 125.16 3kjd s ALA 541 Ca 0.64 0.36 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 3kjd s ALA 541 Cb -0.19 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3kjd s ALA 541 CO 0.57 0.02 0.20 -1.54 0.00 0.00 0.00 175.76 175.01 3kjd s SER 542 N -2.38 0.46 0.33 0.00 1.04 -0.31 -4.84 113.70 108.00 3kjd s SER 542 Ca 0.62 -1.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 3kjd s SER 542 Cb -0.10 0.44 -0.11 0.00 0.10 0.00 0.00 66.02 66.36 3kjd s SER 542 CO 0.18 -0.92 1.49 -1.81 0.98 0.00 0.00 173.24 173.15 3kjd s ASP 543 N -3.19 6.45 0.05 7.02 1.11 -1.26 -1.54 116.67 125.31 3kjd s ASP 543 Ca 0.38 2.92 0.24 0.00 0.18 0.00 0.00 52.55 56.27 3kjd s ASP 543 Cb 0.05 -2.65 0.31 0.00 1.07 0.00 0.00 42.92 41.71 3kjd s ASP 543 CO 0.15 -0.82 1.27 0.35 1.18 0.00 0.00 175.17 177.30 3kjd n THR 544 N 1.32 0.16 -1.16 -1.27 -2.24 0.04 -4.86 114.28 106.27 3kjd n THR 544 Ca 0.04 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 3kjd n THR 544 Cb 0.39 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3kjd n THR 544 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjd n GLY 545 N 1.41 0.81 3.45 3.38 0.00 -1.26 -5.03 105.19 107.96 3kjd n GLY 545 Ca 0.04 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 3kjd n GLY 545 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjd s ILE 546 N -2.21 4.52 0.00 -0.61 1.01 -1.26 -5.08 121.20 117.58 3kjd s ILE 546 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.43 3kjd s ILE 546 Cb 0.00 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 3kjd s ILE 546 CO 0.00 0.21 -0.14 -0.76 0.00 0.00 0.00 174.94 174.25 3kjd s LEU 547 N 1.62 2.07 -0.15 2.97 2.01 -1.26 -4.57 118.68 121.37 3kjd s LEU 547 Ca 0.06 -0.31 -0.20 0.00 0.01 0.00 0.00 54.13 53.69 3kjd s LEU 547 Cb -0.16 -0.67 -0.03 0.00 0.01 0.00 0.00 46.19 45.33 3kjd s LEU 547 CO 0.05 0.13 0.58 0.21 1.01 0.00 0.00 176.35 178.33 3kjd s ASN 548 N -0.56 6.72 -1.16 2.29 2.47 -1.26 -5.00 114.94 118.44 3kjd s ASN 548 Ca 0.04 0.87 -0.03 0.00 0.42 0.00 0.00 52.86 54.16 3kjd s ASN 548 Cb -0.06 -2.33 0.23 0.00 -1.45 0.00 0.00 41.25 37.64 3kjd s ASN 548 CO 0.00 -0.14 2.08 -0.81 -3.72 0.00 0.00 177.10 174.51 3kjd n PRO 549 N 4.34 5.06 0.00 0.43 -0.04 -1.26 -4.24 135.00 139.29 3kjd n PRO 549 Ca -0.04 -4.12 0.00 0.00 -0.04 0.00 0.00 63.50 59.31 3kjd n PRO 549 Cb 0.51 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3kjd n PRO 549 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3kjd n ASP 550 N 0.75 0.00 0.00 3.54 2.03 -1.26 -5.16 116.55 116.45 3kjd n ASP 550 Ca 0.54 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.85 3kjd n ASP 550 Cb 0.25 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 3kjd n ASP 550 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kjd n GLY 551 N -1.23 1.06 3.77 0.27 0.00 -1.26 -5.16 105.19 102.65 3kjd n GLY 551 Ca 0.00 0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 3kjd n GLY 551 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kjd s TYR 552 N 1.86 2.65 -0.06 1.61 1.13 -1.26 -4.58 117.35 118.70 3kjd s TYR 552 Ca 0.00 1.04 0.06 0.00 -1.41 0.00 0.00 57.07 56.76 3kjd s TYR 552 Cb 0.00 -4.03 -0.01 0.00 -1.10 0.00 0.00 41.96 36.81 3kjd s TYR 552 CO 0.00 -3.18 -0.23 0.99 -2.51 0.00 0.00 175.55 170.63 3kjd s THR 553 N -0.74 2.27 0.34 -3.49 2.01 -1.26 -4.74 115.64 110.03 3kjd s THR 553 Ca 0.56 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.28 3kjd s THR 553 Cb -0.47 -1.84 -0.12 0.00 0.01 0.00 0.00 72.50 70.09 3kjd s THR 553 CO 0.58 0.57 1.41 0.18 -0.69 0.00 0.00 174.62 176.67 3kjd n LEU 554 N 2.84 4.07 -0.16 4.42 4.77 -1.26 -4.87 117.00 126.81 3kjd n LEU 554 Ca -0.17 1.20 -0.07 0.00 -0.03 0.00 0.00 56.01 56.94 3kjd n LEU 554 Cb 0.52 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.08 3kjd n LEU 554 CO 0.25 -0.17 1.04 0.78 -1.33 0.00 0.00 177.39 177.97 3kjd h ASN 555 N 3.08 0.57 -4.84 -1.43 2.35 -1.94 0.02 115.58 113.39 3kjd h ASN 555 Ca -0.48 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.03 3kjd h ASN 555 Cb 1.26 -0.14 -0.15 0.00 0.05 0.00 0.00 38.32 39.34 3kjd h ASN 555 CO 0.66 0.46 -0.69 -0.31 -1.65 0.00 0.00 177.43 175.90 3kjd s TYR 556 N -6.00 0.79 0.85 1.19 2.02 -1.26 -1.89 117.35 113.04 3kjd s TYR 556 Ca -0.13 -0.99 -0.10 0.00 -0.37 0.00 0.00 57.07 55.48 3kjd s TYR 556 Cb 0.12 -0.49 0.10 0.00 -0.40 0.00 0.00 41.96 41.29 3kjd s TYR 556 CO 0.74 -0.25 1.13 -0.80 -1.57 0.00 0.00 175.55 174.80 3kjd s ASN 557 N -3.01 3.64 0.01 2.29 0.01 -1.26 -4.09 114.94 112.52 3kjd s ASN 557 Ca 0.12 2.05 -0.12 0.00 -0.71 0.00 0.00 52.86 54.19 3kjd s ASN 557 Cb 0.06 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.19 3kjd s ASN 557 CO -0.06 -2.62 0.26 -1.83 -1.51 0.00 0.00 177.10 171.34 3kjd s GLU 558 N -4.71 0.67 -0.03 -0.60 -1.05 -0.70 -4.52 118.70 107.75 3kjd s GLU 558 Ca 0.65 -0.36 0.06 0.00 -0.15 0.00 0.00 54.97 55.18 3kjd s GLU 558 Cb -0.21 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.76 3kjd s GLU 558 CO 0.56 -0.19 -0.23 0.71 0.95 0.00 0.00 175.26 177.07 3kjd s TYR 559 N -1.76 2.09 -0.10 4.83 2.02 -0.14 -1.01 117.35 123.29 3kjd s TYR 559 Ca -0.11 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 3kjd s TYR 559 Cb -0.04 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3kjd s TYR 559 CO 0.01 -0.09 -0.11 0.42 -1.57 0.00 0.00 175.55 174.21 3kjd s ILE 560 N -0.38 1.18 0.11 2.71 1.09 -0.06 -0.84 121.20 125.00 3kjd s ILE 560 Ca 0.04 -0.44 0.07 0.00 -1.10 0.00 0.00 60.65 59.22 3kjd s ILE 560 Cb -0.10 -1.12 -0.04 0.00 -1.06 0.00 0.00 42.46 40.14 3kjd s ILE 560 CO 0.01 0.38 -0.08 0.68 -0.10 0.00 0.00 174.94 175.82 3kjd s VAL 561 N 1.16 3.47 -0.65 2.92 -7.23 -0.90 -1.61 120.40 117.55 3kjd s VAL 561 Ca -0.05 -1.28 0.07 0.00 -1.81 0.00 0.00 61.98 58.92 3kjd s VAL 561 Cb -0.14 -2.64 0.17 0.00 0.56 0.00 0.00 36.38 34.33 3kjd s VAL 561 CO -0.03 0.08 1.09 -1.22 -0.31 0.00 0.00 175.10 174.71 3kjd n TYR 562 N 0.57 0.25 -4.16 2.82 4.01 -1.26 0.31 117.16 119.70 3kjd n TYR 562 Ca -0.13 -0.41 -0.19 0.00 -0.16 0.00 0.00 57.90 57.01 3kjd n TYR 562 Cb 0.53 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 39.37 3kjd n TYR 562 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3kjd s ASN 563 N -0.93 0.85 0.52 7.72 3.84 -1.26 -4.96 114.94 120.73 3kjd s ASN 563 Ca 0.14 -0.12 0.33 0.00 0.21 0.00 0.00 52.86 53.42 3kjd s ASN 563 Cb 0.08 -0.38 1.81 0.00 -0.55 0.00 0.00 41.25 42.21 3kjd s ASN 563 CO 0.10 -0.04 2.01 1.55 -2.79 0.00 0.00 177.10 177.94 3kjd h PRO 564 N 7.00 0.00 0.00 0.43 0.13 -1.90 -1.55 132.00 136.11 3kjd h PRO 564 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3kjd h PRO 564 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kjd h PRO 564 CO 0.48 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.52 3kjd n ASN 565 N -2.70 0.00 -1.26 1.44 6.94 -1.26 -1.64 115.26 116.78 3kjd n ASN 565 Ca -0.02 -1.09 0.07 0.00 -0.02 0.00 0.00 54.58 53.52 3kjd n ASN 565 Cb 0.10 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 37.78 3kjd n ASN 565 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kjd n GLN 566 N -0.93 3.08 -4.11 -3.83 6.02 -0.58 -0.40 117.38 116.63 3kjd n GLN 566 Ca 0.20 -2.09 -0.20 0.00 -0.01 0.00 0.00 57.00 54.90 3kjd n GLN 566 Cb 0.09 -1.76 -0.16 0.00 1.02 0.00 0.00 30.24 29.43 3kjd n GLN 566 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kjd s VAL 567 N -1.82 0.53 -0.17 5.09 1.01 -0.65 -1.03 120.40 123.36 3kjd s VAL 567 Ca 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3kjd s VAL 567 Cb 0.25 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 36.10 3kjd s VAL 567 CO 0.17 0.23 -0.02 -0.60 0.00 0.00 0.00 175.10 174.88 3kjd s ARG 568 N 1.06 1.16 0.32 2.72 3.52 -0.37 -4.87 118.95 122.48 3kjd s ARG 568 Ca -0.09 -0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 54.75 3kjd s ARG 568 Cb -0.14 -1.98 -0.10 0.00 -1.56 0.00 0.00 34.95 31.16 3kjd s ARG 568 CO -0.01 -0.49 1.27 -1.64 -0.81 0.00 0.00 175.30 173.62 3kjd s MET 569 N 1.70 4.41 0.00 5.12 -1.94 -1.26 -0.64 119.30 126.69 3kjd s MET 569 Ca 0.00 2.14 0.00 0.00 -1.71 0.00 0.00 55.69 56.12 3kjd s MET 569 Cb -0.16 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.59 3kjd s MET 569 CO -0.07 -0.12 0.00 0.54 -0.01 0.00 0.00 175.02 175.35 3kjd n ARG 570 N 0.96 0.45 -3.93 2.03 5.12 -0.54 -4.61 116.66 116.15 3kjd n ARG 570 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 3kjd n ARG 570 Cb 0.42 -0.75 -0.12 0.00 -1.16 0.00 0.00 32.46 30.86 3kjd n ARG 570 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3kjd s TYR 571 N -1.49 0.16 -0.11 -1.55 2.02 -0.86 -0.36 117.35 115.15 3kjd s TYR 571 Ca 0.00 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3kjd s TYR 571 Cb 0.00 -0.12 0.02 0.00 -0.40 0.00 0.00 41.96 41.46 3kjd s TYR 571 CO 0.00 -0.15 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.52 3kjd s LEU 572 N -1.04 1.64 -0.22 -1.29 2.96 -0.01 -1.06 118.68 119.67 3kjd s LEU 572 Ca -0.11 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 3kjd s LEU 572 Cb -0.07 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 3kjd s LEU 572 CO -0.00 -0.01 0.14 -0.76 -1.32 0.00 0.00 176.35 174.40 3kjd s LEU 573 N 1.11 4.14 -0.35 -0.68 1.02 0.10 -1.29 118.68 122.74 3kjd s LEU 573 Ca -0.04 0.16 -0.22 0.00 0.02 0.00 0.00 54.13 54.05 3kjd s LEU 573 Cb -0.14 -2.09 0.00 0.00 0.02 0.00 0.00 46.19 43.98 3kjd s LEU 573 CO -0.03 0.12 0.69 -0.75 0.02 0.00 0.00 176.35 176.40 3kjd s LYS 574 N 0.71 3.76 -0.11 1.70 2.20 -0.14 -1.43 119.74 126.44 3kjd s LYS 574 Ca 0.08 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.91 3kjd s LYS 574 Cb -0.12 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 3kjd s LYS 574 CO 0.01 -0.74 -0.13 0.08 -0.36 0.00 0.00 175.35 174.22 3kjd s VAL 575 N 2.83 3.10 -0.21 4.02 1.01 0.11 -0.45 120.40 130.81 3kjd s VAL 575 Ca 0.27 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 3kjd s VAL 575 Cb -0.14 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3kjd s VAL 575 CO 0.15 0.54 0.34 -1.58 0.00 0.00 0.00 175.10 174.55 3kjd s GLN 576 N 0.06 4.14 -0.15 2.72 0.74 0.56 -1.47 119.66 126.27 3kjd s GLN 576 Ca -0.05 0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.29 3kjd s GLN 576 Cb -0.14 -3.54 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 3kjd s GLN 576 CO 0.04 -0.03 0.32 -0.06 -0.55 0.00 0.00 175.29 175.02 3kjd s PHE 577 N 1.28 3.48 -0.43 1.67 0.08 0.29 -0.33 117.98 124.02 3kjd s PHE 577 Ca 0.16 0.64 -0.06 0.00 0.12 0.00 0.00 56.93 57.79 3kjd s PHE 577 Cb -0.14 -2.37 0.11 0.00 -0.57 0.00 0.00 43.02 40.05 3kjd s PHE 577 CO 0.07 0.24 0.26 -0.80 -0.10 0.00 0.00 175.22 174.90 3kjd s ASN 578 N 0.44 5.48 0.00 1.36 0.01 0.16 -4.85 114.94 117.54 3kjd s ASN 578 Ca 0.18 -1.88 0.26 0.00 -0.71 0.00 0.00 52.86 50.71 3kjd s ASN 578 Cb -0.13 -1.92 0.68 0.00 0.41 0.00 0.00 41.25 40.28 3kjd s ASN 578 CO 0.05 -0.60 1.54 0.49 -1.51 0.00 0.00 177.10 177.07