#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjd h LEU 224 N 0.00 1.11 -0.53 0.64 3.38 -2.05 0.96 115.31 118.82 3kjd h LEU 224 Ca 0.00 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3kjd h LEU 224 Cb 0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 3kjd h LEU 224 CO 0.00 0.79 0.20 1.23 0.09 0.00 0.00 178.44 180.75 3kjd h GLY 225 N 1.30 0.71 0.82 0.83 0.00 -2.05 -1.43 103.07 103.26 3kjd h GLY 225 Ca 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 3kjd h GLY 225 CO -0.08 0.01 -0.08 -0.84 0.00 0.00 0.00 176.54 175.55 3kjd h THR 226 N 0.38 0.93 -0.80 4.70 2.02 -1.36 -2.91 112.91 115.87 3kjd h THR 226 Ca 0.25 -0.38 0.13 0.00 0.77 0.00 0.00 66.41 67.19 3kjd h THR 226 Cb 0.27 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 3kjd h THR 226 CO -0.25 0.09 0.52 -0.33 0.37 0.00 0.00 175.52 175.92 3kjd h GLU 227 N -0.39 0.56 -0.30 6.66 4.39 -0.90 -1.24 114.58 123.35 3kjd h GLU 227 Ca -0.02 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 3kjd h GLU 227 Cb 0.31 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3kjd h GLU 227 CO 0.04 0.37 -0.33 -0.97 -1.16 0.00 0.00 179.01 176.96 3kjd h ASN 228 N 0.58 0.69 -0.23 1.42 -1.24 -1.14 -2.79 115.58 112.87 3kjd h ASN 228 Ca 0.39 -0.28 -0.09 0.00 0.71 0.00 0.00 56.30 57.03 3kjd h ASN 228 Cb 0.69 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 3kjd h ASN 228 CO -0.15 0.97 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.76 3kjd h LEU 229 N 0.56 0.63 -0.00 0.34 3.38 -1.04 0.21 115.31 119.38 3kjd h LEU 229 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kjd h LEU 229 Cb 0.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kjd h LEU 229 CO 0.07 0.78 -0.03 1.88 0.09 0.00 0.00 178.44 181.24 3kjd h TYR 230 N 0.58 0.03 0.00 1.13 0.05 -1.35 -2.83 116.97 114.58 3kjd h TYR 230 Ca 0.10 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3kjd h TYR 230 Cb 0.56 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3kjd h TYR 230 CO 0.02 0.70 0.00 1.19 -1.05 0.00 0.00 178.16 179.03 3kjd n PHE 231 N -4.74 0.39 -2.83 4.88 3.72 -1.06 -4.89 117.46 112.93 3kjd n PHE 231 Ca -0.09 0.13 -0.15 0.00 -0.05 0.00 0.00 57.45 57.29 3kjd n PHE 231 Cb 0.35 -0.72 -0.00 0.00 -0.94 0.00 0.00 39.48 38.17 3kjd n PHE 231 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kjd n GLN 232 N -1.84 -2.79 -1.29 -1.08 6.02 0.04 -4.96 117.38 111.49 3kjd n GLN 232 Ca 0.04 0.48 -0.36 0.00 -0.01 0.00 0.00 57.00 57.15 3kjd n GLN 232 Cb 0.28 -5.11 0.08 0.00 1.02 0.00 0.00 30.24 26.51 3kjd n GLN 232 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3kjd n SER 233 N -1.97 -0.23 -2.64 1.08 7.64 -1.09 -4.93 113.62 111.48 3kjd n SER 233 Ca -0.08 0.63 -0.28 0.00 1.01 0.00 0.00 58.87 60.15 3kjd n SER 233 Cb 0.57 -1.33 -0.01 0.00 -1.01 0.00 0.00 64.21 62.43 3kjd n SER 233 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3kjd n MET 234 N -1.46 0.00 -1.57 1.43 1.56 -1.26 -4.80 117.12 111.02 3kjd n MET 234 Ca 0.12 0.00 -0.47 0.00 -0.27 0.00 0.00 57.70 57.07 3kjd n MET 234 Cb 0.50 -0.60 -0.03 0.00 2.15 0.00 0.00 33.22 35.23 3kjd n MET 234 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3kjd n ASP 235 N 1.28 1.12 -0.22 6.12 -0.08 -1.26 -4.70 116.55 118.81 3kjd n ASP 235 Ca 0.09 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.63 3kjd n ASP 235 Cb 0.18 -1.22 0.39 0.00 2.34 0.00 0.00 41.12 42.82 3kjd n ASP 235 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3kjd h LEU 236 N 2.72 0.61 -0.39 -2.67 3.38 -1.98 -0.47 115.31 116.51 3kjd h LEU 236 Ca -0.41 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 3kjd h LEU 236 Cb 1.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3kjd h LEU 236 CO 0.66 0.35 -0.22 0.03 0.09 0.00 0.00 178.44 179.35 3kjd h ARG 237 N 0.67 0.83 -0.31 1.13 3.08 -1.99 -0.44 114.38 117.34 3kjd h ARG 237 Ca 0.38 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kjd h ARG 237 Cb 0.56 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3kjd h ARG 237 CO -0.15 1.01 0.14 0.28 -1.07 0.00 0.00 179.97 180.18 3kjd h VAL 238 N 0.63 1.17 -0.57 2.04 2.07 -1.76 -1.11 116.25 118.72 3kjd h VAL 238 Ca 0.08 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.22 3kjd h VAL 238 Cb 0.78 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 3kjd h VAL 238 CO 0.06 0.17 0.08 1.56 0.02 0.00 0.00 177.57 179.46 3kjd h GLN 239 N 0.36 0.19 -0.66 1.57 4.20 -0.83 0.70 115.11 120.65 3kjd h GLN 239 Ca 0.11 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3kjd h GLN 239 Cb 0.15 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3kjd h GLN 239 CO -0.01 0.13 0.19 0.93 -0.67 0.00 0.00 178.83 179.40 3kjd h GLU 240 N 0.20 1.02 -0.26 1.46 4.39 -0.83 -1.61 114.58 118.95 3kjd h GLU 240 Ca 0.29 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3kjd h GLU 240 Cb 0.44 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3kjd h GLU 240 CO -0.41 0.88 0.10 1.25 -1.16 0.00 0.00 179.01 179.66 3kjd h LEU 241 N 0.98 0.37 -0.60 1.33 5.85 -0.47 -1.95 115.31 120.83 3kjd h LEU 241 Ca 0.21 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3kjd h LEU 241 Cb 0.29 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kjd h LEU 241 CO -0.01 0.45 0.15 0.40 -0.34 0.00 0.00 178.44 179.10 3kjd h ILE 242 N 0.27 1.25 -0.70 4.05 1.08 -0.74 -1.97 117.51 120.75 3kjd h ILE 242 Ca 0.09 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 3kjd h ILE 242 Cb 0.20 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3kjd h ILE 242 CO -0.01 0.33 0.42 0.11 -0.69 0.00 0.00 178.15 178.32 3kjd h LYS 243 N 0.87 0.96 0.26 2.37 1.57 -1.26 -0.56 116.57 120.78 3kjd h LYS 243 Ca 0.19 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3kjd h LYS 243 Cb 0.34 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kjd h LYS 243 CO 0.00 0.69 -0.13 1.25 -0.57 0.00 0.00 179.45 180.69 3kjd h LEU 244 N 0.96 -0.30 -0.77 2.94 5.85 -1.00 -2.70 115.31 120.29 3kjd h LEU 244 Ca 0.25 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3kjd h LEU 244 Cb -0.02 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3kjd h LEU 244 CO -0.05 -0.11 -0.50 0.16 -0.34 0.00 0.00 178.44 177.61 3kjd h ILE 245 N -0.48 1.11 -0.27 4.05 3.07 -1.34 -3.08 117.51 120.58 3kjd h ILE 245 Ca -0.04 -1.86 0.00 0.00 1.55 0.00 0.00 64.86 64.51 3kjd h ILE 245 Cb 0.36 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3kjd h ILE 245 CO 0.06 0.49 0.00 0.00 -1.05 0.00 0.00 178.15 177.65 3kjd s ASN 247 N -1.39 5.50 0.31 0.00 3.84 -1.02 -4.87 114.94 117.31 3kjd s ASN 247 Ca 0.32 0.44 0.15 0.00 0.21 0.00 0.00 52.86 53.98 3kjd s ASN 247 Cb 0.17 -2.53 0.40 0.00 -0.55 0.00 0.00 41.25 38.74 3kjd s ASN 247 CO 0.25 -2.18 1.60 0.58 -2.79 0.00 0.00 177.10 174.56 3kjd h VAL 248 N 6.78 1.08 -0.75 -5.21 2.07 -1.91 -2.89 116.25 115.42 3kjd h VAL 248 Ca -0.27 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.22 3kjd h VAL 248 Cb 1.15 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 3kjd h VAL 248 CO 1.19 0.51 0.30 -0.61 0.02 0.00 0.00 177.57 178.97 3kjd h GLN 249 N 0.00 1.11 -0.69 1.57 5.75 -2.00 -1.65 115.11 119.21 3kjd h GLN 249 Ca -0.01 -0.19 -0.07 0.00 -0.15 0.00 0.00 58.65 58.24 3kjd h GLN 249 Cb 1.13 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 3kjd h GLN 249 CO 0.07 0.90 0.17 0.00 -2.65 0.00 0.00 178.83 177.32 3kjd h ALA 250 N 1.24 1.00 -0.61 3.38 0.00 -1.92 -1.46 119.26 120.89 3kjd h ALA 250 Ca 0.25 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kjd h ALA 250 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3kjd h ALA 250 CO -0.02 0.65 0.40 0.52 0.00 0.00 0.00 179.25 180.80 3kjd h MET 251 N 1.04 0.80 -0.13 0.00 2.86 -1.28 -0.41 114.93 117.80 3kjd h MET 251 Ca 0.22 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3kjd h MET 251 Cb 0.36 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3kjd h MET 251 CO 0.00 0.53 0.08 0.93 1.06 0.00 0.00 176.91 179.51 3kjd h GLU 252 N 0.82 0.17 -0.78 1.72 5.08 -0.97 -0.86 114.58 119.75 3kjd h GLU 252 Ca 0.23 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 3kjd h GLU 252 Cb -0.09 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 3kjd h GLU 252 CO -0.05 0.11 0.48 0.93 -1.00 0.00 0.00 179.01 179.47 3kjd h GLU 253 N 0.17 0.85 -0.43 2.33 5.08 -1.09 -0.80 114.58 120.69 3kjd h GLU 253 Ca 0.05 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3kjd h GLU 253 Cb -0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3kjd h GLU 253 CO -0.02 0.57 -0.19 0.52 -1.00 0.00 0.00 179.01 178.89 3kjd h MET 254 N 0.88 0.84 -0.29 2.33 2.86 -0.56 -1.51 114.93 119.48 3kjd h MET 254 Ca 0.34 -0.33 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 3kjd h MET 254 Cb 0.15 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3kjd h MET 254 CO -0.16 0.96 -0.49 0.52 1.06 0.00 0.00 176.91 178.80 3kjd h MET 255 N 0.74 0.84 -0.97 1.72 2.86 -0.83 -2.14 114.93 117.15 3kjd h MET 255 Ca 0.11 -0.52 0.02 0.00 -2.06 0.00 0.00 59.70 57.25 3kjd h MET 255 Cb 0.71 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 3kjd h MET 255 CO 0.05 1.15 0.64 0.52 1.06 0.00 0.00 176.91 180.34 3kjd h MET 256 N 0.61 1.24 -0.65 1.72 2.07 -0.97 -1.37 114.93 117.59 3kjd h MET 256 Ca 0.02 -0.07 0.07 0.00 -2.07 0.00 0.00 59.70 57.64 3kjd h MET 256 Cb 1.09 -0.28 -0.04 0.00 -1.87 0.00 0.00 31.60 30.50 3kjd h MET 256 CO 0.11 0.82 0.43 0.93 1.07 0.00 0.00 176.91 180.27 3kjd h GLU 257 N 1.28 0.60 -0.23 1.72 4.39 -1.03 -1.25 114.58 120.05 3kjd h GLU 257 Ca 0.37 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3kjd h GLU 257 Cb -0.09 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 3kjd h GLU 257 CO -0.09 0.40 0.00 -1.33 -1.16 0.00 0.00 179.01 176.82 3kjd n MET 258 N -4.48 1.56 -1.00 2.33 2.81 -0.59 -4.90 117.12 112.85 3kjd n MET 258 Ca 0.10 -0.87 -0.00 0.00 -1.81 0.00 0.00 57.70 55.11 3kjd n MET 258 Cb 0.26 -1.21 -0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.20 -0.05 -2.61 0.03 4.76 -0.47 -5.02 118.16 115.00 3kjd n LYS 259 Ca 0.09 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 55.27 3kjd n LYS 259 Cb 0.21 -3.33 -0.04 0.00 -1.84 0.00 0.00 35.03 30.03 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 -1.99 3.70 -1.03 2.13 5.04 -0.78 -0.60 117.35 123.82 3kjd s TYR 260 Ca 0.00 1.70 -0.19 0.00 -2.44 0.00 0.00 57.07 56.14 3kjd s TYR 260 Cb 0.00 -3.17 0.12 0.00 0.35 0.00 0.00 41.96 39.26 3kjd s TYR 260 CO 0.00 -0.23 1.30 1.21 -1.34 0.00 0.00 175.55 176.49 3kjd s ASN 261 N -0.17 6.71 0.43 4.32 3.84 0.10 -4.06 114.94 126.11 3kjd s ASN 261 Ca 0.48 -2.15 0.20 0.00 0.21 0.00 0.00 52.86 51.60 3kjd s ASN 261 Cb -0.27 -2.45 1.00 0.00 -0.55 0.00 0.00 41.25 38.98 3kjd s ASN 261 CO 0.33 -1.10 1.90 0.71 -2.79 0.00 0.00 177.10 176.15 3kjd h THR 262 N 5.77 0.88 0.46 -5.21 1.35 -1.87 -1.11 112.91 113.18 3kjd h THR 262 Ca 0.22 -1.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 3kjd h THR 262 Cb 0.98 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3kjd h THR 262 CO 1.23 0.26 -0.22 0.50 -0.25 0.00 0.00 175.52 177.03 3kjd h LYS 263 N 0.00 -0.60 -0.19 4.72 3.64 -1.99 -2.65 116.57 119.50 3kjd h LYS 263 Ca -0.00 0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 3kjd h LYS 263 Cb 0.58 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3kjd h LYS 263 CO 0.03 -0.36 -0.47 0.87 -2.27 0.00 0.00 179.45 177.25 3kjd h LYS 264 N -0.70 0.49 -2.71 1.90 1.57 -1.93 -3.38 116.57 111.81 3kjd h LYS 264 Ca -0.06 -0.27 -0.60 0.00 -1.87 0.00 0.00 60.65 57.84 3kjd h LYS 264 Cb 0.52 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 32.45 3kjd h LYS 264 CO 0.10 0.86 -0.81 0.00 -0.57 0.00 0.00 179.45 179.03 3kjd s ALA 265 N -4.10 2.09 0.51 3.86 0.00 -0.44 -5.09 121.76 118.58 3kjd s ALA 265 Ca -0.07 -2.74 -0.23 0.00 0.00 0.00 0.00 51.96 48.92 3kjd s ALA 265 Cb 0.12 -1.80 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 3kjd s ALA 265 CO 0.82 -2.04 1.36 -2.30 0.00 0.00 0.00 175.76 173.60 3kjd n PRO 266 N 2.95 1.86 0.23 0.00 -0.02 -1.00 -4.50 135.00 134.53 3kjd n PRO 266 Ca 0.20 0.67 0.07 0.00 -2.02 0.00 0.00 63.50 62.42 3kjd n PRO 266 Cb 0.40 -2.56 0.58 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.73 0.02 -2.19 2.45 3.38 -1.95 -1.05 115.31 117.70 3kjd h LEU 267 Ca -0.50 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3kjd h LEU 267 Cb 1.29 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 3kjd h LEU 267 CO 0.58 0.09 -0.01 1.23 0.09 0.00 0.00 178.44 180.42 3kjd h GLY 268 N 0.24 0.00 -1.69 0.83 0.00 -1.97 -2.61 103.07 97.87 3kjd h GLY 268 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3kjd h GLY 268 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 3kjd n LYS 269 N -3.13 2.00 -1.77 4.80 4.76 -0.41 -4.97 118.16 119.44 3kjd n LYS 269 Ca -0.01 -1.89 -0.42 0.00 -2.87 0.00 0.00 58.31 53.12 3kjd n LYS 269 Cb 0.20 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 3kjd n LYS 269 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kjd s LEU 270 N -1.31 4.37 0.18 -0.35 2.96 -0.99 -5.00 118.68 118.55 3kjd s LEU 270 Ca 0.27 2.81 0.09 0.00 -0.22 0.00 0.00 54.13 57.08 3kjd s LEU 270 Cb 0.17 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 3kjd s LEU 270 CO 0.24 -0.94 -0.18 0.42 -1.32 0.00 0.00 176.35 174.56 3kjd s THR 271 N 1.22 1.89 0.41 3.68 -4.23 -1.26 -4.95 115.64 112.40 3kjd s THR 271 Ca 0.74 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 59.34 3kjd s THR 271 Cb -0.48 -1.93 0.30 0.00 1.34 0.00 0.00 72.50 71.73 3kjd s THR 271 CO 0.32 -0.36 1.99 0.58 -0.54 0.00 0.00 174.62 176.61 3kjd h VAL 272 N 3.06 0.98 -0.50 2.29 2.07 -1.98 -1.34 116.25 120.83 3kjd h VAL 272 Ca -0.42 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 3kjd h VAL 272 Cb 1.21 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kjd h VAL 272 CO 0.53 0.10 -0.10 0.00 0.02 0.00 0.00 177.57 178.12 3kjd h ALA 273 N 1.68 0.88 -0.80 1.67 0.00 -1.99 -0.55 119.26 120.15 3kjd h ALA 273 Ca 0.26 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3kjd h ALA 273 Cb 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3kjd h ALA 273 CO -0.08 0.64 0.36 1.96 0.00 0.00 0.00 179.25 182.13 3kjd h GLN 274 N 0.82 1.17 -0.33 0.00 4.20 -1.66 -2.13 115.11 117.17 3kjd h GLN 274 Ca 0.13 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3kjd h GLN 274 Cb 0.63 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3kjd h GLN 274 CO 0.04 0.91 -0.16 0.82 -0.67 0.00 0.00 178.83 179.78 3kjd h ILE 275 N 1.15 1.29 -0.91 2.54 2.04 -1.18 -1.55 117.51 120.88 3kjd h ILE 275 Ca 0.27 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3kjd h ILE 275 Cb 0.15 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3kjd h ILE 275 CO -0.03 0.41 0.53 0.50 0.00 0.00 0.00 178.15 179.57 3kjd h LYS 276 N 0.46 1.24 -0.60 2.37 3.64 -0.96 -0.99 116.57 121.73 3kjd h LYS 276 Ca 0.07 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3kjd h LYS 276 Cb 0.69 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3kjd h LYS 276 CO 0.05 0.88 0.21 0.00 -2.27 0.00 0.00 179.45 178.32 3kjd h ALA 277 N 1.29 1.24 -0.12 5.00 0.00 -1.20 -1.37 119.26 124.09 3kjd h ALA 277 Ca 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kjd h ALA 277 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kjd h ALA 277 CO -0.06 0.55 0.06 0.78 0.00 0.00 0.00 179.25 180.58 3kjd h GLY 278 N 1.00 0.19 0.83 0.00 0.00 -0.22 -1.73 103.07 103.13 3kjd h GLY 278 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.48 3kjd h GLY 278 CO -0.01 0.09 0.54 -0.97 0.00 0.00 0.00 176.54 176.18 3kjd h TYR 279 N 0.07 1.01 -0.91 5.60 0.05 -0.91 -1.60 116.97 120.28 3kjd h TYR 279 Ca 0.04 0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.94 3kjd h TYR 279 Cb 0.11 -0.33 -0.07 0.00 1.01 0.00 0.00 36.73 37.45 3kjd h TYR 279 CO -0.03 0.56 0.56 1.96 -1.05 0.00 0.00 178.16 180.15 3kjd h GLN 280 N 1.03 0.92 -0.33 4.88 4.20 -0.93 0.38 115.11 125.26 3kjd h GLN 280 Ca 0.35 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.85 3kjd h GLN 280 Cb 0.06 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3kjd h GLN 280 CO -0.13 0.61 -0.40 0.77 -0.67 0.00 0.00 178.83 179.00 3kjd h SER 281 N 0.95 0.85 -0.78 1.46 0.02 -0.87 -1.65 113.55 113.53 3kjd h SER 281 Ca 0.42 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3kjd h SER 281 Cb 0.32 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 3kjd h SER 281 CO -0.22 1.15 0.51 -0.07 -1.14 0.00 0.00 176.83 177.06 3kjd h LEU 282 N 0.65 0.83 -0.95 5.07 3.38 -0.59 -1.12 115.31 122.59 3kjd h LEU 282 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3kjd h LEU 282 Cb 0.96 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3kjd h LEU 282 CO 0.09 0.58 0.15 0.50 0.09 0.00 0.00 178.44 179.85 3kjd h LYS 283 N 0.97 0.92 -0.41 1.13 1.63 -0.55 -0.81 116.57 119.45 3kjd h LYS 283 Ca 0.31 -0.19 -0.10 0.00 -0.85 0.00 0.00 60.65 59.82 3kjd h LYS 283 Cb 0.03 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 3kjd h LYS 283 CO -0.09 0.82 -0.14 0.87 -3.45 0.00 0.00 179.45 177.46 3kjd h LYS 284 N 0.89 0.76 -0.40 1.90 1.57 -0.35 -0.39 116.57 120.54 3kjd h LYS 284 Ca 0.19 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3kjd h LYS 284 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3kjd h LYS 284 CO -0.00 0.86 0.18 0.82 -0.57 0.00 0.00 179.45 180.74 3kjd h ILE 285 N 0.68 1.18 -0.72 1.86 2.04 -0.97 -1.82 117.51 119.76 3kjd h ILE 285 Ca 0.11 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3kjd h ILE 285 Cb 0.62 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3kjd h ILE 285 CO 0.04 0.20 0.47 -0.08 0.00 0.00 0.00 178.15 178.77 3kjd h GLU 286 N 0.51 0.91 -0.77 2.37 4.81 -0.55 -1.45 114.58 120.40 3kjd h GLU 286 Ca 0.14 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3kjd h GLU 286 Cb 0.14 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 3kjd h GLU 286 CO -0.02 0.60 0.42 -0.44 -0.73 0.00 0.00 179.01 178.84 3kjd h ASP 287 N 0.93 0.57 -0.29 1.04 3.32 -0.92 0.37 116.42 121.45 3kjd h ASP 287 Ca 0.28 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3kjd h ASP 287 Cb -0.05 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3kjd h ASP 287 CO -0.08 0.33 0.09 0.00 -1.72 0.00 0.00 179.24 177.85 3kjd h ILE 289 N 0.31 1.22 -0.84 0.00 2.04 -0.90 -0.22 117.51 119.12 3kjd h ILE 289 Ca 0.09 -0.72 0.12 0.00 1.00 0.00 0.00 64.86 65.35 3kjd h ILE 289 Cb 0.25 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3kjd h ILE 289 CO -0.00 0.23 0.55 0.03 0.00 0.00 0.00 178.15 178.96 3kjd h ARG 290 N 0.26 0.70 -0.03 2.37 3.08 -0.89 -2.07 114.38 117.80 3kjd h ARG 290 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kjd h ARG 290 Cb 0.29 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kjd h ARG 290 CO 0.00 0.47 0.00 0.00 -1.07 0.00 0.00 179.97 179.37 3kjd n ALA 291 N -2.44 2.56 -2.15 0.04 0.00 -0.91 -4.95 120.51 112.66 3kjd n ALA 291 Ca 0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.07 3kjd n ALA 291 Cb 0.38 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.20 0.27 3.26 0.00 0.00 -0.61 -5.00 105.19 104.30 3kjd n GLY 292 Ca 0.18 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.33 3.08 0.00 1.61 -0.21 -0.19 -4.88 119.66 114.74 3kjd s GLN 293 Ca 0.01 -2.18 0.16 0.00 0.02 0.00 0.00 55.36 53.37 3kjd s GLN 293 Cb -0.01 -4.19 0.17 0.00 1.00 0.00 0.00 33.01 29.99 3kjd s GLN 293 CO 0.02 -1.26 1.05 0.72 -2.12 0.00 0.00 175.29 173.70 3kjd n HIS 294 N 4.35 0.10 0.00 0.91 8.25 -1.26 -3.79 115.22 123.77 3kjd n HIS 294 Ca 0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3kjd n HIS 294 Cb 0.43 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 0.89 0.51 0.32 -1.41 0.00 -1.26 -4.75 105.19 99.49 3kjd n GLY 295 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 0.78 -0.64 1.61 1.12 -1.99 -1.84 114.38 113.42 3kjd h ARG 296 Ca 0.00 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.82 3kjd h ARG 296 Cb 0.00 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 29.75 3kjd h ARG 296 CO 0.00 0.51 0.37 0.00 -3.11 0.00 0.00 179.97 177.75 3kjd h ALA 297 N 1.51 0.82 -0.34 2.80 0.00 -1.92 -0.26 119.26 121.87 3kjd h ALA 297 Ca 0.45 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3kjd h ALA 297 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kjd h ALA 297 CO -0.29 0.31 0.03 1.25 0.00 0.00 0.00 179.25 180.55 3kjd h LEU 298 N 0.87 0.56 -1.20 0.00 5.85 -1.58 -0.29 115.31 119.51 3kjd h LEU 298 Ca 0.23 -0.28 0.15 0.00 0.84 0.00 0.00 57.88 58.81 3kjd h LEU 298 Cb 0.00 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 3kjd h LEU 298 CO -0.04 0.70 0.59 0.24 -0.34 0.00 0.00 178.44 179.60 3kjd h MET 299 N 0.39 0.73 0.16 1.25 2.86 -1.04 0.10 114.93 119.39 3kjd h MET 299 Ca 0.10 -0.04 -0.30 0.00 -2.06 0.00 0.00 59.70 57.40 3kjd h MET 299 Cb 0.40 -0.16 0.02 0.00 0.06 0.00 0.00 31.60 31.92 3kjd h MET 299 CO 0.01 0.48 -1.30 0.93 1.06 0.00 0.00 176.91 178.10 3kjd h GLU 300 N 0.75 0.45 -0.40 1.72 4.39 -0.80 -1.85 114.58 118.84 3kjd h GLU 300 Ca 0.48 -0.70 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 3kjd h GLU 300 Cb 0.72 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 3kjd h GLU 300 CO -0.24 1.32 0.09 0.00 -1.16 0.00 0.00 179.01 179.03 3kjd h ALA 301 N 0.39 0.53 -0.60 3.43 0.00 -0.59 -1.97 119.26 120.45 3kjd h ALA 301 Ca -0.18 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3kjd h ALA 301 Cb 1.99 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 3kjd h ALA 301 CO 0.23 0.21 0.39 0.00 0.00 0.00 0.00 179.25 180.09 3kjd h ASN 303 N 0.80 0.19 -0.18 0.00 2.35 -1.14 -1.66 115.58 115.95 3kjd h ASN 303 Ca 0.22 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 3kjd h ASN 303 Cb -0.08 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3kjd h ASN 303 CO -0.05 0.62 -0.25 -0.08 -1.65 0.00 0.00 177.43 176.01 3kjd h GLU 304 N 0.14 0.64 -0.70 0.81 4.81 -1.24 -1.93 114.58 117.12 3kjd h GLU 304 Ca 0.01 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3kjd h GLU 304 Cb 0.87 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 3kjd h GLU 304 CO 0.07 0.84 0.42 0.35 -0.73 0.00 0.00 179.01 179.96 3kjd h PHE 305 N 0.56 0.78 0.00 0.92 3.57 -1.03 -2.18 116.94 119.57 3kjd h PHE 305 Ca 0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3kjd h PHE 305 Cb 0.73 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3kjd h PHE 305 CO 0.03 0.42 -0.27 1.88 -2.23 0.00 0.00 178.31 178.15 3kjd h TYR 306 N 0.81 0.00 -0.24 0.41 0.05 -0.99 0.30 116.97 117.31 3kjd h TYR 306 Ca 0.29 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.93 3kjd h TYR 306 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3kjd h TYR 306 CO -0.05 0.27 -0.39 1.15 -1.05 0.00 0.00 178.16 178.08 3kjd h THR 307 N 0.00 1.31 -0.03 -2.88 2.02 -1.08 -2.92 112.91 109.33 3kjd h THR 307 Ca -0.00 -1.59 -0.19 0.00 0.77 0.00 0.00 66.41 65.39 3kjd h THR 307 Cb 0.65 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3kjd h THR 307 CO 0.03 0.50 -0.81 0.03 0.37 0.00 0.00 175.52 175.65 3kjd h ARG 308 N 0.39 0.29 -2.91 6.66 3.08 -0.75 -3.37 114.38 117.78 3kjd h ARG 308 Ca 0.02 -0.28 -0.61 0.00 0.07 0.00 0.00 59.98 59.18 3kjd h ARG 308 Cb 0.98 0.07 -0.40 0.00 0.08 0.00 0.00 29.97 30.70 3kjd h ARG 308 CO 0.09 0.95 -0.72 0.42 -1.07 0.00 0.00 179.97 179.64 3kjd s ILE 309 N -3.41 1.81 0.24 2.04 -1.09 1.00 -4.88 121.20 116.92 3kjd s ILE 309 Ca -0.04 -3.29 -0.31 0.00 -2.23 0.00 0.00 60.65 54.78 3kjd s ILE 309 Cb 0.10 -2.23 -0.13 0.00 -1.58 0.00 0.00 42.46 38.63 3kjd s ILE 309 CO 0.83 -1.01 1.57 -2.65 -1.23 0.00 0.00 174.94 172.45 3kjd n PRO 310 N 2.76 2.45 -4.38 2.79 -0.02 -1.10 -4.41 135.00 133.09 3kjd n PRO 310 Ca 0.17 0.88 -0.24 0.00 -2.02 0.00 0.00 63.50 62.29 3kjd n PRO 310 Cb 0.38 -2.64 -0.09 0.00 -0.02 0.00 0.00 33.50 31.13 3kjd n PRO 310 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3kjd s HIS 311 N 0.33 2.49 -0.44 6.00 3.76 -1.26 -0.72 115.29 125.45 3kjd s HIS 311 Ca 0.69 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 3kjd s HIS 311 Cb -0.57 -1.14 0.12 0.00 1.11 0.00 0.00 32.58 32.10 3kjd s HIS 311 CO 0.44 0.65 0.19 0.34 -0.85 0.00 0.00 174.74 175.51 3kjd s ASP 312 N -3.60 4.79 -0.02 1.40 -1.08 0.23 -4.60 116.67 113.78 3kjd s ASP 312 Ca 0.31 -2.48 0.22 0.00 -0.52 0.00 0.00 52.55 50.09 3kjd s ASP 312 Cb -0.05 -1.70 0.66 0.00 -1.46 0.00 0.00 42.92 40.37 3kjd s ASP 312 CO 0.18 -0.37 1.55 0.49 0.52 0.00 0.00 175.17 177.54 3kjd n PHE 313 N 3.88 1.06 0.00 -5.34 3.72 -1.26 -4.89 117.46 114.63 3kjd n PHE 313 Ca 0.04 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3kjd n PHE 313 Cb 0.38 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 1.60 4.20 0.88 1.37 0.00 -1.26 -2.27 105.19 109.70 3kjd n GLY 314 Ca 0.25 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.48 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 2.81 -4.80 0.99 4.77 -1.26 -4.96 117.00 114.55 3kjd n LEU 315 Ca 0.00 -0.94 -0.35 0.00 -0.03 0.00 0.00 56.01 54.69 3kjd n LEU 315 Cb 0.00 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3kjd n LEU 315 CO 0.00 0.47 0.68 -0.60 -1.33 0.00 0.00 177.39 176.62 3kjd s ARG 316 N -2.05 4.22 0.07 3.23 3.52 -0.96 -5.00 118.95 121.98 3kjd s ARG 316 Ca 0.27 1.31 -0.34 0.00 -0.13 0.00 0.00 55.73 56.85 3kjd s ARG 316 Cb 0.20 -2.40 -0.13 0.00 -1.56 0.00 0.00 34.95 31.06 3kjd s ARG 316 CO 0.33 -0.06 1.73 2.41 -0.81 0.00 0.00 175.30 178.91 3kjd n THR 317 N -0.27 0.27 -1.68 4.11 -1.04 -1.26 -4.88 114.28 109.52 3kjd n THR 317 Ca 0.06 -0.05 -0.47 0.00 -2.04 0.00 0.00 64.05 61.55 3kjd n THR 317 Cb 0.52 -1.75 -0.04 0.00 -1.82 0.00 0.00 70.33 67.23 3kjd n THR 317 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3kjd n PRO 318 N 4.93 2.25 -2.56 -2.82 -0.02 -1.26 -4.89 135.00 130.63 3kjd n PRO 318 Ca 0.19 0.82 -0.36 0.00 -2.02 0.00 0.00 63.50 62.14 3kjd n PRO 318 Cb 0.30 -2.65 -0.04 0.00 -0.02 0.00 0.00 33.50 31.09 3kjd n PRO 318 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kjd s PRO 319 N 3.00 4.09 0.60 0.52 0.04 -1.26 -5.00 135.00 136.99 3kjd s PRO 319 Ca 0.87 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 63.22 3kjd s PRO 319 Cb -0.66 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 3kjd s PRO 319 CO 0.46 -0.20 1.04 -0.51 0.04 0.00 0.00 177.00 177.84 3kjd s LEU 320 N -2.86 3.42 -0.30 -3.56 1.02 -1.26 -5.00 118.68 110.14 3kjd s LEU 320 Ca 0.60 1.71 -0.07 0.00 0.02 0.00 0.00 54.13 56.40 3kjd s LEU 320 Cb -0.20 -4.52 0.01 0.00 0.02 0.00 0.00 46.19 41.51 3kjd s LEU 320 CO 0.25 -1.12 0.09 -0.63 0.02 0.00 0.00 176.35 174.96 3kjd s ILE 321 N -2.65 3.98 0.00 -0.59 1.01 -1.26 -4.93 121.20 116.76 3kjd s ILE 321 Ca 0.61 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3kjd s ILE 321 Cb -0.14 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3kjd s ILE 321 CO 0.41 0.04 0.00 -2.11 0.00 0.00 0.00 174.94 173.27 3kjd n ARG 322 N 4.87 5.42 -3.97 2.79 1.85 -1.26 -4.97 116.66 121.38 3kjd n ARG 322 Ca -0.14 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.49 3kjd n ARG 322 Cb 0.47 -0.45 -0.02 0.00 -1.05 0.00 0.00 32.46 31.41 3kjd n ARG 322 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3kjd s THR 323 N 0.00 5.26 0.27 8.89 -4.23 -1.26 -4.98 115.64 119.59 3kjd s THR 323 Ca 0.00 -0.95 -0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3kjd s THR 323 Cb 0.00 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.28 3kjd s THR 323 CO 0.00 -0.29 1.84 -0.61 -0.54 0.00 0.00 174.62 175.02 3kjd h GLN 324 N 1.32 0.98 -0.42 3.99 -0.00 -1.99 -0.21 115.11 118.78 3kjd h GLN 324 Ca -0.51 -0.06 0.05 0.00 -0.00 0.00 0.00 58.65 58.13 3kjd h GLN 324 Cb 1.22 -0.22 -0.05 0.00 0.00 0.00 0.00 27.48 28.44 3kjd h GLN 324 CO 0.62 0.65 0.16 -0.22 0.00 0.00 0.00 178.83 180.04 3kjd h LYS 325 N 1.01 0.32 -0.13 1.69 3.64 -1.94 0.11 116.57 121.26 3kjd h LYS 325 Ca 0.47 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.66 3kjd h LYS 325 Cb 0.40 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3kjd h LYS 325 CO -0.24 0.21 -0.62 0.93 -2.27 0.00 0.00 179.45 177.45 3kjd h GLU 326 N 0.33 0.46 -0.27 1.90 5.08 -1.57 -0.80 114.58 119.70 3kjd h GLU 326 Ca 0.19 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3kjd h GLU 326 Cb 0.17 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3kjd h GLU 326 CO -0.19 0.94 -0.16 1.25 -1.00 0.00 0.00 179.01 179.85 3kjd h LEU 327 N 0.34 0.61 -0.89 1.33 5.85 -0.89 -2.88 115.31 118.79 3kjd h LEU 327 Ca -0.01 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.37 3kjd h LEU 327 Cb 1.17 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 3kjd h LEU 327 CO 0.11 0.90 0.54 -1.28 -0.34 0.00 0.00 178.44 178.37 3kjd h SER 328 N 0.32 0.82 -0.65 1.25 0.87 -0.56 -1.77 113.55 113.84 3kjd h SER 328 Ca 0.06 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3kjd h SER 328 Cb 0.68 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 3kjd h SER 328 CO 0.05 0.50 0.42 -0.33 -0.53 0.00 0.00 176.83 176.93 3kjd h GLU 329 N 0.94 0.81 -0.67 2.24 5.08 -1.05 -0.23 114.58 121.71 3kjd h GLU 329 Ca 0.41 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 3kjd h GLU 329 Cb 0.27 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3kjd h GLU 329 CO -0.21 0.54 0.10 0.87 -1.00 0.00 0.00 179.01 179.31 3kjd h LYS 330 N 0.83 1.12 -0.69 2.33 1.79 -1.27 -1.42 116.57 119.26 3kjd h LYS 330 Ca 0.25 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3kjd h LYS 330 Cb -0.04 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.45 3kjd h LYS 330 CO -0.08 1.03 0.40 0.82 -1.08 0.00 0.00 179.45 180.54 3kjd h ILE 331 N 1.04 1.21 -0.07 1.86 2.04 -0.88 -1.49 117.51 121.22 3kjd h ILE 331 Ca 0.20 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3kjd h ILE 331 Cb 0.46 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3kjd h ILE 331 CO 0.01 0.22 -0.32 1.56 0.00 0.00 0.00 178.15 179.62 3kjd h GLN 332 N 0.94 0.14 -0.01 2.37 4.20 -0.86 0.13 115.11 122.02 3kjd h GLN 332 Ca 0.25 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 3kjd h GLN 332 Cb -0.00 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3kjd h GLN 332 CO -0.04 0.45 0.00 1.25 -0.67 0.00 0.00 178.83 179.82 3kjd h LEU 333 N 0.12 0.01 -0.81 1.46 5.85 -0.83 -2.14 115.31 118.98 3kjd h LEU 333 Ca 0.02 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 3kjd h LEU 333 Cb 0.63 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3kjd h LEU 333 CO 0.05 0.08 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.90 3kjd h LEU 334 N -0.07 0.62 -0.76 2.25 3.38 -0.71 -1.23 115.31 118.80 3kjd h LEU 334 Ca 0.00 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.79 3kjd h LEU 334 Cb 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3kjd h LEU 334 CO -0.00 0.86 0.48 -0.33 0.09 0.00 0.00 178.44 179.53 3kjd h GLU 335 N 0.53 0.89 -0.31 1.13 5.08 -0.71 -0.04 114.58 121.16 3kjd h GLU 335 Ca 0.07 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3kjd h GLU 335 Cb 0.72 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3kjd h GLU 335 CO 0.06 0.59 0.01 0.00 -1.00 0.00 0.00 179.01 178.66 3kjd h ALA 336 N 1.34 0.41 -0.92 3.43 0.00 -1.00 -2.51 119.26 120.00 3kjd h ALA 336 Ca 0.31 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kjd h ALA 336 Cb 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3kjd h ALA 336 CO -0.13 0.16 0.60 -0.07 0.00 0.00 0.00 179.25 179.81 3kjd h LEU 337 N 0.34 0.90 -0.64 0.00 3.38 -1.05 0.15 115.31 118.39 3kjd h LEU 337 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kjd h LEU 337 Cb 0.43 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3kjd h LEU 337 CO 0.01 0.56 0.41 1.23 0.09 0.00 0.00 178.44 180.74 3kjd h GLY 338 N 1.01 0.92 2.00 0.83 0.00 -0.71 -0.24 103.07 106.88 3kjd h GLY 338 Ca 0.41 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 3kjd h GLY 338 CO -0.16 0.35 -0.52 -0.55 0.00 0.00 0.00 176.54 175.66 3kjd h ASP 339 N 0.87 0.00 -0.12 0.19 3.32 -0.91 -2.68 116.42 117.08 3kjd h ASP 339 Ca 0.23 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.09 3kjd h ASP 339 Cb -0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.50 3kjd h ASP 339 CO -0.05 0.52 -0.70 0.40 -1.72 0.00 0.00 179.24 177.70 3kjd h ILE 340 N 0.00 1.31 -0.48 0.35 2.04 -0.39 -0.71 117.51 119.64 3kjd h ILE 340 Ca -0.01 -1.94 0.07 0.00 1.00 0.00 0.00 64.86 63.98 3kjd h ILE 340 Cb 1.12 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 39.24 3kjd h ILE 340 CO 0.07 0.60 0.16 -0.08 0.00 0.00 0.00 178.15 178.90 3kjd h GLU 341 N 0.37 0.32 0.02 2.37 4.22 -0.92 0.85 114.58 121.80 3kjd h GLU 341 Ca -0.05 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.39 3kjd h GLU 341 Cb 1.34 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 3kjd h GLU 341 CO 0.14 0.21 -0.15 0.82 -2.18 0.00 0.00 179.01 177.86 3kjd h ILE 342 N 0.33 0.64 -0.45 2.32 2.04 -1.45 -2.87 117.51 118.07 3kjd h ILE 342 Ca 0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.12 3kjd h ILE 342 Cb 0.25 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3kjd h ILE 342 CO -0.24 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.15 3kjd h ALA 343 N 0.67 0.57 -0.78 1.87 0.00 -0.50 -0.89 119.26 120.21 3kjd h ALA 343 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kjd h ALA 343 Cb 0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3kjd h ALA 343 CO -0.13 -0.10 0.47 0.82 0.00 0.00 0.00 179.25 180.31 3kjd h ILE 344 N 0.48 1.22 -0.34 0.00 2.04 -0.83 0.22 117.51 120.29 3kjd h ILE 344 Ca 0.19 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3kjd h ILE 344 Cb 0.08 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3kjd h ILE 344 CO -0.12 0.22 -0.15 0.11 0.00 0.00 0.00 178.15 178.21 3kjd h LYS 345 N 1.07 0.71 -0.58 2.37 1.57 -1.25 -3.24 116.57 117.22 3kjd h LYS 345 Ca 0.28 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3kjd h LYS 345 Cb -0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3kjd h LYS 345 CO -0.05 0.90 0.10 1.25 -0.57 0.00 0.00 179.45 181.08 3kjd h LEU 346 N 0.49 0.87 -0.19 2.94 6.46 -0.53 -2.91 115.31 122.44 3kjd h LEU 346 Ca 0.08 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3kjd h LEU 346 Cb 0.68 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 3kjd h LEU 346 CO 0.05 0.87 0.00 1.33 -0.62 0.00 0.00 178.44 180.07 3kjd n VAL 347 N -4.24 0.01 -1.97 1.05 0.24 0.01 -4.73 118.33 108.69 3kjd n VAL 347 Ca 0.04 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 3kjd n VAL 347 Cb 0.26 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.32 3kjd n VAL 347 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3kjd s LYS 348 N -1.99 4.24 0.25 7.34 1.02 -1.10 -4.97 119.74 124.53 3kjd s LYS 348 Ca 0.44 2.34 0.09 0.00 0.02 0.00 0.00 55.97 58.86 3kjd s LYS 348 Cb 0.21 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3kjd s LYS 348 CO 0.35 -0.50 -0.02 0.95 -0.92 0.00 0.00 175.35 175.21 3kjd s THR 349 N 0.38 3.42 -0.41 2.17 -4.23 -1.26 -4.95 115.64 110.76 3kjd s THR 349 Ca 0.63 -1.88 -0.21 0.00 -1.18 0.00 0.00 61.69 59.05 3kjd s THR 349 Cb -0.43 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 70.62 3kjd s THR 349 CO 0.40 -0.34 0.67 -1.61 -0.54 0.00 0.00 174.62 173.19 3kjd s GLU 350 N -3.56 3.43 0.39 3.99 2.02 -1.26 -4.96 118.70 118.75 3kjd s GLU 350 Ca 0.31 -0.19 0.12 0.00 0.02 0.00 0.00 54.97 55.23 3kjd s GLU 350 Cb -0.07 -3.90 0.92 0.00 0.10 0.00 0.00 34.13 31.19 3kjd s GLU 350 CO 0.19 -0.94 1.90 -0.07 0.02 0.00 0.00 175.26 176.36 3kjd h LEU 351 N 9.67 0.53 -1.97 1.80 3.38 -1.99 -2.00 115.31 124.72 3kjd h LEU 351 Ca -0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3kjd h LEU 351 Cb 1.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3kjd h LEU 351 CO 0.89 0.28 0.00 0.00 0.09 0.00 0.00 178.44 179.69 3kjd n GLN 352 N -4.52 2.26 -2.19 1.13 1.13 -1.26 -4.92 117.38 109.02 3kjd n GLN 352 Ca 0.15 -1.93 -0.38 0.00 -1.94 0.00 0.00 57.00 52.90 3kjd n GLN 352 Cb 0.48 -1.46 -0.00 0.00 0.11 0.00 0.00 30.24 29.37 3kjd n GLN 352 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kjd s SER 353 N -1.29 6.11 0.15 1.08 0.15 -0.76 -4.92 113.70 114.22 3kjd s SER 353 Ca 0.37 2.40 0.25 0.00 0.70 0.00 0.00 55.95 59.66 3kjd s SER 353 Cb 0.20 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.83 3kjd s SER 353 CO 0.28 -0.96 1.76 -0.81 1.20 0.00 0.00 173.24 174.71 3kjd n PRO 354 N -0.44 0.15 -2.49 5.44 -0.04 -1.26 -4.84 135.00 131.53 3kjd n PRO 354 Ca 0.07 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.34 3kjd n PRO 354 Cb 0.47 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 3kjd n PRO 354 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kjd s GLU 355 N -3.12 4.56 0.39 0.54 2.02 -1.26 -5.01 118.70 116.82 3kjd s GLU 355 Ca 0.09 1.73 -0.26 0.00 0.02 0.00 0.00 54.97 56.55 3kjd s GLU 355 Cb 0.13 -3.29 -0.11 0.00 0.10 0.00 0.00 34.13 30.96 3kjd s GLU 355 CO 0.49 -0.00 1.20 1.58 0.02 0.00 0.00 175.26 178.55 3kjd n HIS 356 N 2.71 1.89 -0.31 1.61 -0.00 -1.26 -4.79 115.22 115.07 3kjd n HIS 356 Ca 0.04 0.54 0.12 0.00 -0.00 0.00 0.00 57.72 58.42 3kjd n HIS 356 Cb 0.46 -2.34 0.34 0.00 -0.00 0.00 0.00 29.99 28.45 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 2.07 0.74 -0.30 1.57 0.11 -1.96 -1.19 132.00 133.03 3kjd h PRO 357 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3kjd h PRO 357 Cb 1.30 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kjd h PRO 357 CO 0.60 0.49 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.72 3kjd h LEU 358 N 0.76 0.47 -0.71 2.35 3.38 -1.99 -0.48 115.31 119.08 3kjd h LEU 358 Ca 0.49 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 3kjd h LEU 358 Cb 0.74 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3kjd h LEU 358 CO -0.25 0.60 0.05 0.44 0.09 0.00 0.00 178.44 179.36 3kjd h ASP 359 N 0.46 1.00 -0.40 -0.43 3.32 -1.60 -1.25 116.42 117.52 3kjd h ASP 359 Ca 0.09 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3kjd h ASP 359 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3kjd h ASP 359 CO 0.02 1.03 0.09 1.56 -1.72 0.00 0.00 179.24 180.22 3kjd h GLN 360 N 0.96 0.64 0.02 3.56 4.20 -0.63 -1.48 115.11 122.39 3kjd h GLN 360 Ca 0.18 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kjd h GLN 360 Cb 0.49 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3kjd h GLN 360 CO 0.02 0.68 -0.01 0.45 -0.67 0.00 0.00 178.83 179.30 3kjd h HIS 361 N 0.50 -0.03 -0.26 2.96 3.86 -0.97 -2.31 115.15 118.91 3kjd h HIS 361 Ca 0.12 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.38 3kjd h HIS 361 Cb 0.33 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 3kjd h HIS 361 CO 0.02 0.03 -0.06 -0.92 0.86 0.00 0.00 177.93 177.86 3kjd h TYR 362 N -0.08 -0.13 -0.70 2.45 3.20 -1.18 -2.20 116.97 118.32 3kjd h TYR 362 Ca -0.00 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3kjd h TYR 362 Cb 0.07 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3kjd h TYR 362 CO -0.06 -0.11 0.39 -0.09 -1.64 0.00 0.00 178.16 176.66 3kjd h ARG 363 N 0.00 0.70 0.00 1.82 2.43 -1.22 -1.39 114.38 116.73 3kjd h ARG 363 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3kjd h ARG 363 Cb 0.19 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3kjd h ARG 363 CO -0.26 0.46 0.00 -0.91 -1.51 0.00 0.00 179.97 177.75 3kjd h ASN 364 N 0.72 0.00 0.37 -3.80 2.35 -0.82 -1.30 115.58 113.09 3kjd h ASN 364 Ca 0.32 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 3kjd h ASN 364 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3kjd h ASN 364 CO -0.19 0.00 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.27 3kjd h LEU 365 N 0.00 0.00 -1.74 1.61 3.38 -0.80 -3.47 115.31 114.29 3kjd h LEU 365 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3kjd h LEU 365 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kjd h LEU 365 CO 0.00 0.25 -0.85 1.41 0.09 0.00 0.00 178.44 179.34 3kjd n HIS 366 N -3.96 -1.80 -3.49 1.13 8.25 -0.49 -4.07 115.22 110.78 3kjd n HIS 366 Ca -0.02 0.80 -0.04 0.00 -0.26 0.00 0.00 57.72 58.20 3kjd n HIS 366 Cb 0.33 -3.95 -0.06 0.00 1.12 0.00 0.00 29.99 27.42 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 2.73 3.39 -0.16 0.00 0.00 0.38 -4.90 121.76 123.20 3kjd s ALA 368 Ca 0.05 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 3kjd s ALA 368 Cb -0.13 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.71 3kjd s ALA 368 CO -0.17 -0.15 -0.01 -0.51 0.00 0.00 0.00 175.76 174.92 3kjd s LEU 369 N -1.51 1.29 -0.16 0.00 1.43 -1.25 -1.75 118.68 116.72 3kjd s LEU 369 Ca 0.45 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3kjd s LEU 369 Cb -0.31 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.22 3kjd s LEU 369 CO 0.40 -0.23 -0.18 -0.13 0.23 0.00 0.00 176.35 176.43 3kjd s ARG 370 N 1.78 2.76 0.31 1.70 0.52 -0.57 -4.93 118.95 120.50 3kjd s ARG 370 Ca 0.01 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 3kjd s ARG 370 Cb -0.15 -2.39 -0.10 0.00 0.52 0.00 0.00 34.95 32.82 3kjd s ARG 370 CO -0.07 -0.20 1.37 -2.14 0.02 0.00 0.00 175.30 174.28 3kjd s PRO 371 N 1.30 4.30 0.15 3.54 0.02 -1.26 -0.62 135.00 142.43 3kjd s PRO 371 Ca 0.03 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.37 3kjd s PRO 371 Cb -0.13 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3kjd s PRO 371 CO -0.11 -0.30 0.22 -0.51 -0.33 0.00 0.00 177.00 175.97 3kjd s LEU 372 N -1.33 4.14 0.06 -5.54 1.43 0.12 -4.87 118.68 112.69 3kjd s LEU 372 Ca 0.53 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 3kjd s LEU 372 Cb -0.41 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 3kjd s LEU 372 CO 0.51 0.06 1.15 -0.62 0.23 0.00 0.00 176.35 177.68 3kjd s ASP 373 N -3.15 7.14 0.31 2.29 -1.08 -1.26 -4.76 116.67 116.16 3kjd s ASP 373 Ca 0.33 1.97 0.25 0.00 -0.52 0.00 0.00 52.55 54.57 3kjd s ASP 373 Cb -0.11 -2.58 1.11 0.00 -1.46 0.00 0.00 42.92 39.88 3kjd s ASP 373 CO 0.26 -0.41 1.74 0.45 0.52 0.00 0.00 175.17 177.74 3kjd h HIS 374 N 6.63 0.00 -0.51 -5.34 3.86 -1.97 -1.90 115.15 115.92 3kjd h HIS 374 Ca -0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3kjd h HIS 374 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 3kjd h HIS 374 CO 0.67 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.85 3kjd n GLU 375 N -2.34 2.81 -2.77 2.45 -0.58 -1.26 -4.69 120.64 114.26 3kjd n GLU 375 Ca 0.01 -2.10 -0.29 0.00 -0.42 0.00 0.00 57.16 54.36 3kjd n GLU 375 Cb 0.18 -1.64 -0.02 0.00 -0.57 0.00 0.00 31.44 29.39 3kjd n GLU 375 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3kjd s SER 376 N -0.86 6.43 0.18 1.62 1.04 -0.71 -4.98 113.70 116.41 3kjd s SER 376 Ca 0.38 1.07 -0.13 0.00 0.48 0.00 0.00 55.95 57.75 3kjd s SER 376 Cb 0.23 -2.30 0.12 0.00 0.10 0.00 0.00 66.02 64.17 3kjd s SER 376 CO 0.21 -0.46 1.78 0.22 0.98 0.00 0.00 173.24 175.97 3kjd h TYR 377 N 0.90 0.45 -0.54 5.02 3.20 -1.93 -2.21 116.97 121.87 3kjd h TYR 377 Ca -0.47 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.52 3kjd h TYR 377 Cb 1.19 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 39.24 3kjd h TYR 377 CO 0.60 0.22 0.03 0.93 -1.64 0.00 0.00 178.16 178.31 3kjd h GLU 378 N 0.49 0.15 -0.57 1.82 5.08 -1.94 -0.92 114.58 118.69 3kjd h GLU 378 Ca 0.21 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3kjd h GLU 378 Cb 0.12 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3kjd h GLU 378 CO -0.15 0.10 0.30 0.35 -1.00 0.00 0.00 179.01 178.60 3kjd h PHE 379 N 0.15 0.79 0.12 4.33 3.57 -1.75 -1.57 116.94 122.59 3kjd h PHE 379 Ca 0.28 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3kjd h PHE 379 Cb 0.42 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3kjd h PHE 379 CO -0.30 0.59 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.09 3kjd h LYS 380 N 0.76 -0.16 -0.65 1.11 3.64 -0.73 0.15 116.57 120.70 3kjd h LYS 380 Ca 0.20 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3kjd h LYS 380 Cb 0.07 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3kjd h LYS 380 CO -0.03 -0.10 0.37 0.28 -2.27 0.00 0.00 179.45 177.70 3kjd h VAL 381 N -0.16 1.20 -0.62 2.00 2.07 -1.15 0.76 116.25 120.35 3kjd h VAL 381 Ca -0.02 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 3kjd h VAL 381 Cb 0.13 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3kjd h VAL 381 CO 0.03 0.21 0.09 0.40 0.02 0.00 0.00 177.57 178.31 3kjd h ILE 382 N 0.88 1.26 -0.59 4.57 1.08 -1.11 0.23 117.51 123.83 3kjd h ILE 382 Ca 0.23 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 3kjd h ILE 382 Cb 0.01 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3kjd h ILE 382 CO -0.04 0.38 0.24 0.28 -0.69 0.00 0.00 178.15 178.32 3kjd h SER 383 N 0.95 0.81 -0.42 1.72 0.02 -0.22 -0.46 113.55 115.96 3kjd h SER 383 Ca 0.19 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3kjd h SER 383 Cb 0.43 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3kjd h SER 383 CO 0.01 0.76 0.06 1.56 -1.14 0.00 0.00 176.83 178.08 3kjd h GLN 384 N 0.81 0.78 -0.47 3.45 4.20 -0.49 -1.96 115.11 121.44 3kjd h GLN 384 Ca 0.20 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3kjd h GLN 384 Cb 0.19 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3kjd h GLN 384 CO -0.02 0.75 0.12 -0.92 -0.67 0.00 0.00 178.83 178.10 3kjd h TYR 385 N 0.74 0.78 0.10 2.96 3.20 -0.31 0.56 116.97 125.01 3kjd h TYR 385 Ca 0.15 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3kjd h TYR 385 Cb 0.37 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3kjd h TYR 385 CO 0.02 0.71 -0.13 1.25 -1.64 0.00 0.00 178.16 178.36 3kjd h LEU 386 N 0.63 -0.36 -0.05 2.82 5.85 -0.93 -2.77 115.31 120.51 3kjd h LEU 386 Ca 0.15 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 3kjd h LEU 386 Cb 0.31 0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.48 3kjd h LEU 386 CO -0.00 -0.20 -0.48 1.56 -0.34 0.00 0.00 178.44 178.98 3kjd h GLN 387 N -0.27 0.41 0.00 1.25 1.08 -1.32 -3.15 115.11 113.10 3kjd h GLN 387 Ca 0.02 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 56.80 3kjd h GLN 387 Cb 0.28 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3kjd h GLN 387 CO -0.06 1.03 -0.19 0.66 -0.95 0.00 0.00 178.83 179.31 3kjd h SER 388 N -0.08 0.00 -0.42 1.46 4.64 -0.94 -2.63 113.55 115.59 3kjd h SER 388 Ca -0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3kjd h SER 388 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3kjd h SER 388 CO 0.10 0.19 0.03 0.35 -0.87 0.00 0.00 176.83 176.63 3kjd n THR 389 N -3.62 2.53 -2.31 2.95 -2.24 -1.04 -4.10 114.28 106.45 3kjd n THR 389 Ca -0.01 -1.75 -0.43 0.00 -2.27 0.00 0.00 64.05 59.59 3kjd n THR 389 Cb 0.33 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.86 2.63 0.49 4.78 5.04 -0.99 -1.75 115.29 122.64 3kjd s HIS 390 Ca 0.48 0.80 -0.20 0.00 -1.54 0.00 0.00 55.06 54.60 3kjd s HIS 390 Cb 0.38 -3.61 -0.08 0.00 0.04 0.00 0.00 32.58 29.31 3kjd s HIS 390 CO 0.11 -2.27 1.03 0.00 -2.34 0.00 0.00 174.74 171.28 3kjd s ALA 391 N 3.55 2.87 0.13 1.58 0.00 -1.26 -4.95 121.76 123.69 3kjd s ALA 391 Ca 0.60 0.57 0.23 0.00 0.00 0.00 0.00 51.96 53.36 3kjd s ALA 391 Cb -0.25 -3.24 0.86 0.00 0.00 0.00 0.00 23.12 20.49 3kjd s ALA 391 CO 0.19 -0.33 1.80 -1.00 0.00 0.00 0.00 175.76 176.42 3kjd h PRO 392 N 1.47 0.00 -0.00 0.00 0.13 -1.99 -2.41 132.00 129.20 3kjd h PRO 392 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kjd h PRO 392 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kjd h PRO 392 CO 0.59 0.25 -0.05 0.25 -0.23 0.00 0.00 178.00 178.81 3kjd n THR 393 N -3.42 0.00 -2.49 1.56 -2.24 -1.26 -3.99 114.28 102.44 3kjd n THR 393 Ca 0.00 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 3kjd n THR 393 Cb 0.45 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.07 3.27 0.83 4.78 8.25 -0.91 -4.81 115.22 125.57 3kjd n HIS 394 Ca 0.15 -2.96 0.10 0.00 -0.26 0.00 0.00 57.72 54.76 3kjd n HIS 394 Cb 0.25 -0.79 0.29 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.32 2.35 0.00 0.41 3.41 -1.26 -4.02 113.62 114.19 3kjd n SER 395 Ca 0.43 -1.85 0.09 0.00 -0.26 0.00 0.00 58.87 57.28 3kjd n SER 395 Cb 0.37 -0.19 0.42 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.77 0.00 -3.61 4.04 5.75 -1.26 -4.81 116.55 117.43 3kjd n ASP 396 Ca 0.17 0.35 -0.11 0.00 -0.01 0.00 0.00 54.79 55.20 3kjd n ASP 396 Cb 0.42 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 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 -2.87 -0.24 0.39 2.11 -0.85 -1.26 -4.53 117.35 110.11 3kjd s TYR 397 Ca 0.12 -0.07 0.08 0.00 -0.52 0.00 0.00 57.07 56.67 3kjd s TYR 397 Cb 0.12 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 3kjd s TYR 397 CO 0.32 -0.73 0.27 0.95 -1.52 0.00 0.00 175.55 174.84 3kjd s THR 398 N -3.80 2.80 -0.03 -3.49 -4.23 -0.68 -4.92 115.64 101.28 3kjd s THR 398 Ca 0.03 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 3kjd s THR 398 Cb 0.01 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 3kjd s THR 398 CO -0.11 -0.07 -0.25 -0.04 -0.54 0.00 0.00 174.62 173.60 3kjd s MET 399 N -4.00 2.25 -0.16 3.99 -1.94 -1.26 -0.37 119.30 117.81 3kjd s MET 399 Ca 0.43 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 3kjd s MET 399 Cb -0.02 -2.09 0.00 0.00 2.01 0.00 0.00 34.83 34.74 3kjd s MET 399 CO 0.25 0.51 -0.17 0.99 -0.01 0.00 0.00 175.02 176.59 3kjd s THR 400 N -0.49 2.46 -0.47 2.05 2.01 0.17 -4.98 115.64 116.38 3kjd s THR 400 Ca 0.06 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 3kjd s THR 400 Cb -0.11 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.39 3kjd s THR 400 CO 0.00 0.52 1.35 -0.22 -0.69 0.00 0.00 174.62 175.59 3kjd s LEU 401 N 0.90 3.54 0.01 4.42 2.96 -1.26 -0.62 118.68 128.63 3kjd s LEU 401 Ca -0.04 0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 54.32 3kjd s LEU 401 Cb -0.15 -3.40 -0.33 0.00 0.50 0.00 0.00 46.19 42.80 3kjd s LEU 401 CO -0.02 -1.48 0.90 -0.07 -1.32 0.00 0.00 176.35 174.37 3kjd h LEU 402 N 12.25 0.73 -7.40 -0.68 3.38 -1.22 -3.49 115.31 118.89 3kjd h LEU 402 Ca -0.26 -0.87 0.05 0.00 0.09 0.00 0.00 57.88 56.89 3kjd h LEU 402 Cb 1.09 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.50 3kjd h LEU 402 CO 1.12 1.70 0.29 -0.62 0.09 0.00 0.00 178.44 181.02 3kjd s ASP 403 N -7.45 -0.40 -0.06 -0.43 -1.08 -1.11 -4.99 116.67 101.16 3kjd s ASP 403 Ca -0.11 -0.24 -0.03 0.00 -0.52 0.00 0.00 52.55 51.65 3kjd s ASP 403 Cb 0.05 0.60 0.04 0.00 -1.46 0.00 0.00 42.92 42.14 3kjd s ASP 403 CO 0.91 -1.03 0.14 -0.22 0.52 0.00 0.00 175.17 175.49 3kjd s LEU 404 N -2.79 0.82 -0.03 -1.34 2.96 -1.26 -0.69 118.68 116.36 3kjd s LEU 404 Ca 0.06 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 3kjd s LEU 404 Cb -0.03 0.36 -0.01 0.00 0.50 0.00 0.00 46.19 47.02 3kjd s LEU 404 CO -0.04 -0.14 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.33 3kjd s PHE 405 N 1.04 1.58 0.23 5.38 0.08 0.03 -0.70 117.98 125.61 3kjd s PHE 405 Ca -0.08 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 3kjd s PHE 405 Cb -0.10 -1.05 -0.09 0.00 -0.57 0.00 0.00 43.02 41.21 3kjd s PHE 405 CO -0.05 -0.11 1.08 -2.00 -0.10 0.00 0.00 175.22 174.04 3kjd s GLU 406 N -0.10 4.64 -0.15 0.44 2.12 0.21 -0.73 118.70 125.13 3kjd s GLU 406 Ca -0.00 1.73 -0.01 0.00 0.36 0.00 0.00 54.97 57.05 3kjd s GLU 406 Cb -0.10 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 3kjd s GLU 406 CO 0.01 0.18 -0.10 0.08 -0.54 0.00 0.00 175.26 174.89 3kjd s VAL 407 N -0.75 3.22 -0.38 3.70 1.01 0.01 -1.52 120.40 125.69 3kjd s VAL 407 Ca 0.46 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3kjd s VAL 407 Cb -0.30 -2.38 0.13 0.00 0.00 0.00 0.00 36.38 33.82 3kjd s VAL 407 CO 0.37 0.50 0.19 -0.70 0.00 0.00 0.00 175.10 175.47 3kjd s GLU 408 N 0.58 0.89 -0.10 2.72 2.12 -0.71 -4.18 118.70 120.01 3kjd s GLU 408 Ca -0.06 -1.53 -0.30 0.00 0.36 0.00 0.00 54.97 53.44 3kjd s GLU 408 Cb -0.15 -1.90 -0.01 0.00 0.26 0.00 0.00 34.13 32.32 3kjd s GLU 408 CO 0.03 -1.13 1.04 0.21 -0.54 0.00 0.00 175.26 174.87 3kjd s LYS 409 N 0.92 4.40 -0.26 4.30 2.47 -1.26 -0.47 119.74 129.85 3kjd s LYS 409 Ca 0.16 1.44 -0.40 0.00 -1.56 0.00 0.00 55.97 55.60 3kjd s LYS 409 Cb -0.22 -3.55 -0.16 0.00 -1.46 0.00 0.00 37.83 32.44 3kjd s LYS 409 CO -0.07 -0.35 1.70 -0.25 0.16 0.00 0.00 175.35 176.54 3kjd n ASP 410 N 5.11 2.27 0.00 1.43 9.92 -0.97 -2.13 116.55 132.18 3kjd n ASP 410 Ca 0.09 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.44 3kjd n ASP 410 Cb 0.48 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 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 4.04 3.02 0.21 0.44 0.00 -1.26 -4.92 105.19 106.72 3kjd n GLY 411 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 1.66 0.56 -0.61 1.61 5.08 -1.81 -2.30 114.58 118.77 3kjd h GLU 412 Ca 0.00 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3kjd h GLU 412 Cb 0.00 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3kjd h GLU 412 CO 0.00 0.99 0.26 -0.22 -1.00 0.00 0.00 179.01 179.04 3kjd h LYS 413 N 0.42 0.90 -0.05 2.33 3.64 -1.92 -1.40 116.57 120.50 3kjd h LYS 413 Ca -0.00 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 59.01 3kjd h LYS 413 Cb 1.15 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3kjd h LYS 413 CO 0.11 0.75 -0.86 0.93 -2.27 0.00 0.00 179.45 178.11 3kjd h GLU 414 N 0.85 0.50 0.00 1.90 3.07 -1.94 -3.20 114.58 115.75 3kjd h GLU 414 Ca 0.21 -0.47 -0.06 0.00 -0.50 0.00 0.00 59.36 58.54 3kjd h GLU 414 Cb 0.17 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3kjd h GLU 414 CO -0.02 1.11 -0.26 0.00 -1.40 0.00 0.00 179.01 178.44 3kjd h ALA 415 N 0.74 0.94 -2.90 3.43 0.00 -1.23 -3.47 119.26 116.77 3kjd h ALA 415 Ca -0.07 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.08 3kjd h ALA 415 Cb 1.48 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 19.31 3kjd h ALA 415 CO 0.16 0.33 0.67 0.12 0.00 0.00 0.00 179.25 180.52 3kjd s PHE 416 N -3.45 2.85 -1.16 0.00 2.19 -0.55 -4.80 117.98 113.07 3kjd s PHE 416 Ca 0.02 1.35 -0.18 0.00 0.33 0.00 0.00 56.93 58.45 3kjd s PHE 416 Cb 0.09 -3.77 -0.04 0.00 -1.31 0.00 0.00 43.02 37.99 3kjd s PHE 416 CO 0.66 -2.23 2.02 0.54 1.83 0.00 0.00 175.22 178.04 3kjd n ARG 417 N 0.50 2.27 0.26 10.12 5.12 0.22 -4.73 116.66 130.41 3kjd n ARG 417 Ca 0.01 -2.40 0.08 0.00 -1.93 0.00 0.00 57.85 53.62 3kjd n ARG 417 Cb 0.42 -3.23 0.64 0.00 -1.16 0.00 0.00 32.46 29.13 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 7.29 0.00 0.00 5.56 5.08 -1.90 -2.68 114.58 127.93 3kjd h GLU 418 Ca 0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.77 3kjd h GLU 418 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3kjd h GLU 418 CO 1.79 0.05 -0.26 0.38 -1.00 0.00 0.00 179.01 179.97 3kjd h ASP 419 N 0.00 0.00 -3.87 1.42 2.03 -2.01 -3.44 116.42 110.54 3kjd h ASP 419 Ca -0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 3kjd h ASP 419 Cb 0.09 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.62 3kjd h ASP 419 CO 0.01 0.26 0.48 -0.76 -1.03 0.00 0.00 179.24 178.19 3kjd s LEU 420 N -8.21 4.38 0.87 0.15 1.43 -1.01 -5.03 118.68 111.26 3kjd s LEU 420 Ca -0.03 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 3kjd s LEU 420 Cb 0.15 -3.83 0.16 0.00 0.03 0.00 0.00 46.19 42.70 3kjd s LEU 420 CO 0.69 -0.36 1.21 -1.38 0.23 0.00 0.00 176.35 176.74 3kjd s HIS 421 N -1.32 1.82 -1.05 0.29 -3.43 -1.26 -4.53 115.29 105.81 3kjd s HIS 421 Ca 0.50 0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 54.98 3kjd s HIS 421 Cb -0.30 -3.74 0.00 0.00 -1.43 0.00 0.00 32.58 27.11 3kjd s HIS 421 CO 0.39 -2.27 0.89 -1.71 -2.00 0.00 0.00 174.74 170.04 3kjd n ASN 422 N -3.45 -3.06 -4.59 7.38 5.15 -1.26 -0.70 115.26 114.72 3kjd n ASN 422 Ca 0.14 -0.51 -0.42 0.00 -0.60 0.00 0.00 54.58 53.19 3kjd n ASN 422 Cb 0.60 -4.40 -0.05 0.00 -0.53 0.00 0.00 39.78 35.39 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 -5.42 3.82 0.13 1.20 3.52 -1.26 -2.89 118.95 118.05 3kjd s ARG 423 Ca 0.14 0.35 0.10 0.00 -0.13 0.00 0.00 55.73 56.19 3kjd s ARG 423 Cb -0.06 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 3kjd s ARG 423 CO 0.62 -0.74 -0.25 -1.64 -0.81 0.00 0.00 175.30 172.48 3kjd s MET 424 N 2.93 1.33 -0.38 5.12 -1.94 -0.83 -1.36 119.30 124.17 3kjd s MET 424 Ca 0.30 -1.32 -0.17 0.00 -1.71 0.00 0.00 55.69 52.79 3kjd s MET 424 Cb -0.14 -1.73 0.01 0.00 2.01 0.00 0.00 34.83 34.97 3kjd s MET 424 CO 0.15 0.40 0.45 -1.17 -0.01 0.00 0.00 175.02 174.84 3kjd s LEU 425 N -2.10 4.60 0.20 -0.03 2.96 0.61 -0.57 118.68 124.35 3kjd s LEU 425 Ca 0.13 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 3kjd s LEU 425 Cb -0.10 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 3kjd s LEU 425 CO 0.06 -0.51 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.71 3kjd s LEU 426 N 2.23 2.51 0.26 -0.68 1.43 -0.21 -4.63 118.68 119.58 3kjd s LEU 426 Ca 0.14 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 3kjd s LEU 426 Cb -0.16 -0.56 -0.08 0.00 0.03 0.00 0.00 46.19 45.42 3kjd s LEU 426 CO 0.13 -0.26 0.61 0.26 0.23 0.00 0.00 176.35 177.33 3kjd s TRP 427 N -3.10 3.41 -0.13 0.29 0.52 -0.63 -1.87 118.94 117.42 3kjd s TRP 427 Ca 0.22 1.00 -0.06 0.00 0.02 0.00 0.00 56.10 57.28 3kjd s TRP 427 Cb 0.01 -2.36 0.06 0.00 -1.15 0.00 0.00 33.47 30.03 3kjd s TRP 427 CO 0.06 0.21 0.30 -1.58 0.02 0.00 0.00 176.95 175.96 3kjd s HIS 428 N -1.87 -0.45 0.18 -1.98 2.46 0.14 -2.12 115.29 111.64 3kjd s HIS 428 Ca 0.50 1.01 0.07 0.00 0.47 0.00 0.00 55.06 57.10 3kjd s HIS 428 Cb -0.11 0.09 -0.04 0.00 -0.13 0.00 0.00 32.58 32.40 3kjd s HIS 428 CO 0.20 -0.31 0.05 0.20 -2.47 0.00 0.00 174.74 172.41 3kjd s GLY 429 N 1.73 1.71 0.19 1.59 0.00 -1.24 -0.90 107.32 110.40 3kjd s GLY 429 Ca -0.06 -1.32 -0.23 0.00 0.00 0.00 0.00 44.72 43.11 3kjd s GLY 429 CO -0.10 -1.34 0.63 -0.45 0.00 0.00 0.00 173.10 171.84 3kjd s SER 430 N -3.05 -0.50 0.79 1.64 0.15 -1.23 -4.67 113.70 106.83 3kjd s SER 430 Ca 0.29 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.68 3kjd s SER 430 Cb -0.09 0.63 0.08 0.00 -1.71 0.00 0.00 66.02 64.92 3kjd s SER 430 CO 0.20 -1.05 1.18 -0.13 1.20 0.00 0.00 173.24 174.65 3kjd s ARG 431 N -3.78 1.77 0.56 5.44 0.52 -1.13 -4.11 118.95 118.21 3kjd s ARG 431 Ca 0.03 1.66 0.32 0.00 -0.52 0.00 0.00 55.73 57.22 3kjd s ARG 431 Cb -0.02 -1.80 1.69 0.00 0.52 0.00 0.00 34.95 35.34 3kjd s ARG 431 CO -0.09 -2.10 2.15 0.52 0.02 0.00 0.00 175.30 175.81 3kjd h MET 432 N -0.88 0.00 0.00 3.54 2.86 -1.92 -0.85 114.93 117.68 3kjd h MET 432 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 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 0.47 0.06 0.00 -1.13 1.06 0.00 0.00 176.91 177.37 3kjd n SER 433 N -3.51 0.20 -0.14 1.22 3.41 -1.26 -3.83 113.62 109.72 3kjd n SER 433 Ca -0.02 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 3kjd n SER 433 Cb 0.19 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 3kjd n SER 433 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kjd n ASN 434 N -1.71 1.25 0.07 4.04 3.02 -0.32 -4.32 115.26 117.30 3kjd n ASN 434 Ca 0.05 -1.13 -0.07 0.00 -0.03 0.00 0.00 54.58 53.40 3kjd n ASN 434 Cb 0.26 0.85 0.07 0.00 -0.61 0.00 0.00 39.78 40.35 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 0.68 0.40 -0.40 3.10 4.06 -1.72 -0.98 115.95 121.10 3kjd h TRP 435 Ca 0.00 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.75 3kjd h TRP 435 Cb 0.55 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 3kjd h TRP 435 CO 0.00 0.88 0.14 0.28 -3.56 0.00 0.00 178.44 176.18 3kjd h VAL 436 N 0.21 1.21 -0.25 1.49 2.07 -1.83 0.15 116.25 119.29 3kjd h VAL 436 Ca -0.02 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3kjd h VAL 436 Cb 1.22 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3kjd h VAL 436 CO 0.11 0.24 0.06 1.23 0.02 0.00 0.00 177.57 179.22 3kjd h GLY 437 N 0.49 0.29 1.03 2.17 0.00 -1.71 -1.50 103.07 103.84 3kjd h GLY 437 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3kjd h GLY 437 CO -0.01 -0.00 0.15 -2.22 0.00 0.00 0.00 176.54 174.47 3kjd h ILE 438 N 0.16 1.25 -0.03 2.60 2.04 -0.95 -0.95 117.51 121.63 3kjd h ILE 438 Ca 0.12 -0.92 -0.20 0.00 1.00 0.00 0.00 64.86 64.86 3kjd h ILE 438 Cb 0.11 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3kjd h ILE 438 CO -0.15 0.35 -0.82 -0.07 0.00 0.00 0.00 178.15 177.46 3kjd h LEU 439 N 0.91 0.42 0.05 1.44 3.38 -0.69 0.42 115.31 121.26 3kjd h LEU 439 Ca 0.20 -0.31 -0.26 0.00 0.09 0.00 0.00 57.88 57.59 3kjd h LEU 439 Cb 0.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kjd h LEU 439 CO 0.00 1.08 -1.17 0.77 0.09 0.00 0.00 178.44 179.21 3kjd h SER 440 N 0.21 0.45 -0.00 -0.43 4.64 -1.24 -3.37 113.55 113.81 3kjd h SER 440 Ca -0.05 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kjd h SER 440 Cb 1.43 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kjd h SER 440 CO 0.14 1.32 -0.39 1.41 -0.87 0.00 0.00 176.83 178.43 3kjd n HIS 441 N -3.58 0.00 -0.20 4.77 8.25 -0.36 -4.86 115.22 119.24 3kjd n HIS 441 Ca -0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 3kjd n HIS 441 Cb 0.98 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.08 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 1.13 -2.21 3.75 -1.41 0.00 0.14 -4.82 105.19 101.77 3kjd n GLY 442 Ca 0.03 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 -5.10 4.37 0.10 0.99 1.43 -1.26 -4.58 118.68 114.64 3kjd s LEU 443 Ca 0.00 2.76 0.08 0.00 -1.03 0.00 0.00 54.13 55.95 3kjd s LEU 443 Cb 0.00 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 3kjd s LEU 443 CO 0.00 -0.77 -0.22 -0.13 0.23 0.00 0.00 176.35 175.46 3kjd s ARG 444 N -0.43 1.21 0.86 1.70 0.52 -1.26 -4.84 118.95 116.71 3kjd s ARG 444 Ca 0.61 -1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 54.55 3kjd s ARG 444 Cb -0.44 -1.48 0.11 0.00 0.52 0.00 0.00 34.95 33.66 3kjd s ARG 444 CO 0.45 0.35 1.09 0.96 0.02 0.00 0.00 175.30 178.17 3kjd s ILE 445 N -1.09 2.86 0.63 1.52 -4.36 -1.26 -4.68 121.20 114.81 3kjd s ILE 445 Ca 0.08 0.28 -0.18 0.00 -0.26 0.00 0.00 60.65 60.56 3kjd s ILE 445 Cb -0.10 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.86 3kjd s ILE 445 CO 0.04 -0.36 1.13 0.00 0.24 0.00 0.00 174.94 175.98 3kjd n ALA 446 N -3.80 0.65 -1.57 2.27 0.00 -1.26 -4.90 120.51 111.90 3kjd n ALA 446 Ca 0.08 -0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.06 3kjd n ALA 446 Cb 0.54 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 3kjd n ALA 446 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3kjd n HIS 447 N -1.85 1.12 0.08 0.00 -0.00 -1.26 -4.89 115.22 108.42 3kjd n HIS 447 Ca 0.15 0.72 0.14 0.00 0.46 0.00 0.00 57.72 59.19 3kjd n HIS 447 Cb 0.48 -2.23 0.63 0.00 -0.12 0.00 0.00 29.99 28.75 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 2.34 0.08 -0.01 1.57 0.13 -2.03 -2.02 132.00 132.08 3kjd h PRO 448 Ca -0.40 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3kjd h PRO 448 Cb 1.35 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3kjd h PRO 448 CO 0.63 0.05 -0.14 0.39 -0.23 0.00 0.00 178.00 178.70 3kjd n GLU 449 N -4.45 0.82 -2.11 0.86 4.71 -1.26 -4.91 120.64 114.29 3kjd n GLU 449 Ca 0.05 -0.36 -0.39 0.00 -0.01 0.00 0.00 57.16 56.45 3kjd n GLU 449 Cb 0.38 -1.49 -0.00 0.00 -1.01 0.00 0.00 31.44 29.31 3kjd n GLU 449 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kjd s ALA 450 N -2.43 3.13 0.14 0.62 0.00 -0.76 -4.40 121.76 118.06 3kjd s ALA 450 Ca 0.29 1.13 -0.34 0.00 0.00 0.00 0.00 51.96 53.04 3kjd s ALA 450 Cb 0.20 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 3kjd s ALA 450 CO 0.47 -0.79 1.62 -2.30 0.00 0.00 0.00 175.76 174.76 3kjd n PRO 451 N -0.14 2.22 0.27 0.00 -0.02 -1.26 -4.87 135.00 131.19 3kjd n PRO 451 Ca 0.05 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.47 3kjd n PRO 451 Cb 0.45 -2.58 0.76 0.00 -0.02 0.00 0.00 33.50 32.11 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 3.79 0.50 0.00 4.25 2.10 -1.96 -2.19 117.51 124.00 3kjd h ILE 452 Ca -0.45 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.02 3kjd h ILE 452 Cb 1.25 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 38.29 3kjd h ILE 452 CO 0.90 0.10 0.00 0.35 -1.08 0.00 0.00 178.15 178.42 3kjd n THR 453 N -3.59 0.54 1.01 2.19 -2.24 -1.26 -1.99 114.28 108.94 3kjd n THR 453 Ca -0.02 0.14 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 3kjd n THR 453 Cb 0.22 -0.85 0.53 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.20 -0.98 2.76 3.38 0.00 -0.82 -4.71 105.19 105.01 3kjd n GLY 454 Ca 0.08 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 1.28 0.37 1.61 2.02 -0.84 -4.87 117.35 114.36 3kjd s TYR 455 Ca 0.20 -1.08 0.15 0.00 -0.37 0.00 0.00 57.07 55.97 3kjd s TYR 455 Cb 0.14 -1.18 1.00 0.00 -0.40 0.00 0.00 41.96 41.52 3kjd s TYR 455 CO 0.32 -0.67 1.78 1.98 -1.57 0.00 0.00 175.55 177.39 3kjd h MET 456 N 8.19 0.48 0.00 -0.62 1.85 -1.85 -2.08 114.93 120.90 3kjd h MET 456 Ca -0.16 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 58.85 3kjd h MET 456 Cb 1.10 -0.11 -0.11 0.00 0.43 0.00 0.00 31.60 32.91 3kjd h MET 456 CO 0.36 0.32 -0.64 1.19 -0.40 0.00 0.00 176.91 177.74 3kjd n PHE 457 N -4.68 0.00 -3.06 1.39 3.72 -1.26 -0.34 117.46 113.24 3kjd n PHE 457 Ca 0.24 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 3kjd n PHE 457 Cb 0.78 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.67 -2.10 3.28 1.37 0.00 -0.78 -4.22 105.19 102.08 3kjd n GLY 458 Ca 0.15 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.08 3.59 -2.09 1.61 5.02 -1.26 -4.83 118.16 120.12 3kjd n LYS 459 Ca 0.00 -4.06 -0.01 0.00 -2.02 0.00 0.00 58.31 52.22 3kjd n LYS 459 Cb 0.00 -2.82 -0.00 0.00 -0.02 0.00 0.00 35.03 32.19 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 3.15 4.13 3.57 0.72 0.00 -1.26 -4.44 105.19 111.06 3kjd n GLY 460 Ca 0.32 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.30 4.57 -0.13 -0.61 1.01 0.43 -4.19 121.20 120.98 3kjd s ILE 461 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 3kjd s ILE 461 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3kjd s ILE 461 CO 0.00 0.43 0.11 -0.31 0.00 0.00 0.00 174.94 175.17 3kjd s TYR 462 N 0.70 3.47 0.02 3.97 2.02 -1.26 -2.36 117.35 123.91 3kjd s TYR 462 Ca 0.03 0.40 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 3kjd s TYR 462 Cb -0.13 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 3kjd s TYR 462 CO 0.02 0.59 -0.04 -0.06 -1.57 0.00 0.00 175.55 174.48 3kjd s PHE 463 N -0.72 0.36 0.14 2.71 0.08 -0.20 -4.79 117.98 115.57 3kjd s PHE 463 Ca 0.13 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.87 3kjd s PHE 463 Cb -0.12 -0.23 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 3kjd s PHE 463 CO 0.03 -0.11 -0.11 0.00 -0.10 0.00 0.00 175.22 174.92 3kjd s ALA 464 N -1.06 2.89 -2.81 5.36 0.00 -0.90 -0.85 121.76 124.40 3kjd s ALA 464 Ca -0.10 -1.38 0.25 0.00 0.00 0.00 0.00 51.96 50.74 3kjd s ALA 464 Cb -0.08 -0.77 0.50 0.00 0.00 0.00 0.00 23.12 22.78 3kjd s ALA 464 CO -0.00 0.55 1.44 -0.40 0.00 0.00 0.00 175.76 177.34 3kjd n ASP 465 N 0.40 2.44 -4.29 0.00 5.68 -1.26 -1.60 116.55 117.91 3kjd n ASP 465 Ca -0.13 -1.81 -0.35 0.00 -0.50 0.00 0.00 54.79 52.00 3kjd n ASP 465 Cb 0.54 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.38 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 -2.01 3.26 0.25 0.11 -1.94 -1.26 -4.87 119.30 112.84 3kjd s MET 466 Ca 0.32 -0.71 -0.04 0.00 -1.71 0.00 0.00 55.69 53.55 3kjd s MET 466 Cb 0.20 -3.03 0.45 0.00 2.01 0.00 0.00 34.83 34.46 3kjd s MET 466 CO 0.32 -0.25 1.75 0.66 -0.01 0.00 0.00 175.02 177.48 3kjd h SER 467 N 8.11 0.40 0.76 3.03 4.64 -1.62 -1.74 113.55 127.12 3kjd h SER 467 Ca -0.39 0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 3kjd h SER 467 Cb 1.15 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3kjd h SER 467 CO 0.60 0.18 -0.56 0.77 -0.87 0.00 0.00 176.83 176.95 3kjd h SER 468 N 0.53 0.00 -0.33 4.97 4.64 -1.87 0.67 113.55 122.16 3kjd h SER 468 Ca 0.41 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.76 3kjd h SER 468 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3kjd h SER 468 CO -0.36 0.56 0.16 0.50 -0.87 0.00 0.00 176.83 176.82 3kjd h LYS 469 N 0.00 0.33 -0.49 4.77 3.64 -1.61 -1.32 116.57 121.89 3kjd h LYS 469 Ca -0.01 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3kjd h LYS 469 Cb 1.09 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3kjd h LYS 469 CO 0.07 0.22 -0.20 0.77 -2.27 0.00 0.00 179.45 178.04 3kjd h SER 470 N 0.34 1.01 0.29 4.20 0.02 -1.43 -3.20 113.55 114.79 3kjd h SER 470 Ca 0.14 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3kjd h SER 470 Cb 0.04 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3kjd h SER 470 CO -0.09 1.17 -0.13 0.00 -1.14 0.00 0.00 176.83 176.64 3kjd h ALA 471 N 0.90 1.41 -0.58 3.77 0.00 -0.59 -0.56 119.26 123.60 3kjd h ALA 471 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kjd h ALA 471 Cb 0.78 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3kjd h ALA 471 CO 0.06 0.16 0.38 -0.91 0.00 0.00 0.00 179.25 178.95 3kjd h ASN 472 N 0.00 0.61 0.23 0.00 2.35 -1.24 -1.57 115.58 115.96 3kjd h ASN 472 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kjd h ASN 472 Cb 0.31 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3kjd h ASN 472 CO 0.02 0.43 0.00 -1.22 -1.65 0.00 0.00 177.43 175.00 3kjd n TYR 473 N -4.46 0.00 0.19 1.19 4.01 -0.22 -2.20 117.16 115.67 3kjd n TYR 473 Ca 0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 3kjd n TYR 473 Cb 0.10 -0.18 0.33 0.00 -0.31 0.00 0.00 39.34 39.29 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 -3.45 -1.89 -1.08 0.00 3.72 -0.93 -4.30 117.46 109.53 3kjd n PHE 475 Ca 0.00 0.83 -0.31 0.00 -0.05 0.00 0.00 57.45 57.92 3kjd n PHE 475 Cb 0.51 -3.26 0.12 0.00 -0.94 0.00 0.00 39.48 35.92 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 -3.32 1.89 0.31 4.37 0.00 -1.26 -5.02 121.76 118.73 3kjd s ALA 476 Ca 0.69 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 3kjd s ALA 476 Cb -0.37 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 3kjd s ALA 476 CO 0.90 -2.16 0.44 -1.54 0.00 0.00 0.00 175.76 173.39 3kjd s SER 477 N -3.17 0.67 0.55 0.00 1.04 -0.68 -4.97 113.70 107.13 3kjd s SER 477 Ca 0.63 -1.38 0.24 0.00 0.48 0.00 0.00 55.95 55.92 3kjd s SER 477 Cb -0.19 0.62 1.46 0.00 0.10 0.00 0.00 66.02 68.01 3kjd s SER 477 CO 0.57 -1.22 2.08 0.08 0.98 0.00 0.00 173.24 175.73 3kjd h ARG 478 N 2.19 0.00 0.12 4.02 0.11 -1.97 -1.57 114.38 117.28 3kjd h ARG 478 Ca -0.28 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.51 3kjd h ARG 478 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 3kjd h ARG 478 CO 0.39 0.00 -1.34 -0.07 0.10 0.00 0.00 179.97 179.06 3kjd h LEU 479 N 0.00 0.40 -6.77 0.08 3.38 -2.00 -3.40 115.31 107.00 3kjd h LEU 479 Ca 0.12 -0.46 -0.61 0.00 0.09 0.00 0.00 57.88 57.03 3kjd h LEU 479 Cb 0.55 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 40.77 3kjd h LEU 479 CO -0.00 1.37 -0.77 -0.54 0.09 0.00 0.00 178.44 178.59 3kjd s LYS 480 N -2.64 1.57 0.00 1.13 -0.14 -0.65 -4.98 119.74 114.03 3kjd s LYS 480 Ca -0.05 -2.54 0.17 0.00 -1.36 0.00 0.00 55.97 52.18 3kjd s LYS 480 Cb 0.07 -2.37 0.58 0.00 -1.68 0.00 0.00 37.83 34.44 3kjd s LYS 480 CO 0.87 -1.30 1.44 0.27 -0.76 0.00 0.00 175.35 175.87 3kjd n ASN 481 N 2.68 1.80 -4.51 2.83 6.94 -0.84 -1.69 115.26 122.46 3kjd n ASN 481 Ca 0.21 -1.82 -0.35 0.00 -0.02 0.00 0.00 54.58 52.60 3kjd n ASN 481 Cb 0.40 -0.16 -0.12 0.00 -2.36 0.00 0.00 39.78 37.54 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 -1.68 4.28 0.25 5.53 2.01 -1.26 -0.49 115.64 124.28 3kjd s THR 482 Ca 0.29 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.10 3kjd s THR 482 Cb 0.16 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 3kjd s THR 482 CO 0.23 0.43 0.15 -0.83 -0.69 0.00 0.00 174.62 173.91 3kjd s GLY 483 N 0.83 1.75 0.11 4.40 0.00 -0.43 -4.96 107.32 109.02 3kjd s GLY 483 Ca 0.02 -1.79 0.10 0.00 0.00 0.00 0.00 44.72 43.04 3kjd s GLY 483 CO 0.02 -1.48 -0.25 1.08 0.00 0.00 0.00 173.10 172.47 3kjd s LEU 484 N -3.26 2.30 -0.02 0.66 1.43 -1.26 -0.14 118.68 118.38 3kjd s LEU 484 Ca 0.38 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3kjd s LEU 484 Cb 0.06 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 3kjd s LEU 484 CO 0.16 0.15 -0.13 -0.76 0.23 0.00 0.00 176.35 176.00 3kjd s LEU 485 N -1.91 1.92 -0.11 1.79 1.43 -0.63 -4.42 118.68 116.75 3kjd s LEU 485 Ca 0.11 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3kjd s LEU 485 Cb -0.10 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 3kjd s LEU 485 CO 0.05 0.13 -0.03 -0.22 0.23 0.00 0.00 176.35 176.51 3kjd s LEU 486 N -0.05 3.36 -0.10 1.79 2.96 -0.08 -0.59 118.68 125.96 3kjd s LEU 486 Ca 0.00 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 3kjd s LEU 486 Cb -0.08 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3kjd s LEU 486 CO 0.01 0.29 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.50 3kjd s LEU 487 N -0.36 3.15 0.02 -0.68 1.43 0.36 -0.68 118.68 121.93 3kjd s LEU 487 Ca 0.06 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3kjd s LEU 487 Cb -0.12 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3kjd s LEU 487 CO 0.02 0.27 -0.06 -0.44 0.23 0.00 0.00 176.35 176.38 3kjd s SER 488 N -0.28 0.65 -0.00 2.29 0.01 -0.78 -0.64 113.70 114.94 3kjd s SER 488 Ca 0.04 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 3kjd s SER 488 Cb -0.13 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 3kjd s SER 488 CO 0.02 -0.13 1.05 -1.61 0.41 0.00 0.00 173.24 172.99 3kjd s GLU 489 N -1.06 4.49 -0.20 12.44 2.02 0.28 -1.05 118.70 135.63 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 -0.07 -3.45 0.04 0.00 0.10 0.00 0.00 34.13 30.75 3kjd s GLU 489 CO 0.00 -0.17 -0.12 0.08 0.02 0.00 0.00 175.26 175.08 3kjd s VAL 490 N 1.25 1.73 -0.97 2.63 1.01 0.27 -1.06 120.40 125.26 3kjd s VAL 490 Ca 0.53 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 3kjd s VAL 490 Cb -0.23 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.45 3kjd s VAL 490 CO 0.26 0.22 1.36 0.00 0.00 0.00 0.00 175.10 176.95 3kjd s ALA 491 N 1.37 2.85 0.14 5.51 0.00 0.38 -1.97 121.76 130.04 3kjd s ALA 491 Ca -0.01 -2.26 0.03 0.00 0.00 0.00 0.00 51.96 49.73 3kjd s ALA 491 Cb -0.16 -4.39 -0.11 0.00 0.00 0.00 0.00 23.12 18.45 3kjd s ALA 491 CO -0.09 -3.44 1.31 -0.07 0.00 0.00 0.00 175.76 173.47 3kjd h LEU 492 N 12.33 0.18 0.00 0.00 3.38 -1.65 -3.46 115.31 126.08 3kjd h LEU 492 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kjd h LEU 492 Cb 1.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3kjd h LEU 492 CO 1.35 1.05 0.00 0.61 0.09 0.00 0.00 178.44 181.54 3kjd n GLY 493 N 1.14 2.63 3.63 0.83 0.00 0.12 -3.61 105.19 109.93 3kjd n GLY 493 Ca -0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 4.10 0.09 1.61 -1.52 -1.26 -4.63 119.66 118.06 3kjd s GLN 494 Ca 0.00 0.82 -0.25 0.00 -1.95 0.00 0.00 55.36 53.98 3kjd s GLN 494 Cb 0.00 -3.68 -0.06 0.00 -0.22 0.00 0.00 33.01 29.05 3kjd s GLN 494 CO 0.00 -0.59 0.77 0.00 -0.25 0.00 0.00 175.29 175.22 3kjd s ASN 496 N -0.51 6.62 -0.19 0.00 2.47 0.18 -4.87 114.94 118.63 3kjd s ASN 496 Ca 0.37 0.48 -0.18 0.00 0.42 0.00 0.00 52.86 53.96 3kjd s ASN 496 Cb -0.22 -2.43 -0.04 0.00 -1.45 0.00 0.00 41.25 37.12 3kjd s ASN 496 CO 0.24 -0.78 0.47 -1.61 -3.72 0.00 0.00 177.10 171.71 3kjd s GLU 497 N 3.25 4.20 0.18 0.43 2.02 -1.26 -1.27 118.70 126.25 3kjd s GLU 497 Ca 0.34 0.35 0.11 0.00 0.02 0.00 0.00 54.97 55.79 3kjd s GLU 497 Cb -0.13 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 3kjd s GLU 497 CO 0.17 -0.08 -0.23 -0.51 0.02 0.00 0.00 175.26 174.63 3kjd s LEU 498 N 1.41 2.41 -0.19 1.80 1.43 0.36 -4.95 118.68 120.94 3kjd s LEU 498 Ca 0.23 -0.84 0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3kjd s LEU 498 Cb -0.15 -1.10 -0.20 0.00 0.03 0.00 0.00 46.19 44.77 3kjd s LEU 498 CO 0.09 0.10 -0.02 0.18 0.23 0.00 0.00 176.35 176.93 3kjd n LEU 499 N 0.39 0.94 -4.30 1.79 4.77 -1.26 -0.94 117.00 118.40 3kjd n LEU 499 Ca -0.14 -0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.65 3kjd n LEU 499 Cb 0.56 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 3kjd n LEU 499 CO 0.28 0.58 -0.25 -1.83 -1.33 0.00 0.00 177.39 174.84 3kjd s GLU 500 N -2.44 1.37 0.27 3.23 -1.05 -1.26 -4.49 118.70 114.32 3kjd s GLU 500 Ca -0.16 -1.74 -0.30 0.00 -0.15 0.00 0.00 54.97 52.63 3kjd s GLU 500 Cb 0.06 -0.18 -0.14 0.00 -0.44 0.00 0.00 34.13 33.43 3kjd s GLU 500 CO 0.67 -0.30 1.20 0.00 0.95 0.00 0.00 175.26 177.77 3kjd n ALA 501 N -0.43 0.34 -3.16 -0.84 0.00 -1.26 -5.01 120.51 110.15 3kjd n ALA 501 Ca 0.00 0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.88 3kjd n ALA 501 Cb 0.66 -2.13 -0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.20 -1.61 0.56 0.00 3.84 0.54 -5.02 114.94 113.05 3kjd s ASN 502 Ca 0.63 -0.04 0.32 0.00 0.21 0.00 0.00 52.86 53.98 3kjd s ASN 502 Cb -0.68 2.02 1.74 0.00 -0.55 0.00 0.00 41.25 43.78 3kjd s ASN 502 CO 0.57 -0.27 1.97 -0.65 -2.79 0.00 0.00 177.10 175.92 3kjd h PRO 503 N 7.77 0.00 -0.64 0.43 0.11 -1.63 -0.65 132.00 137.40 3kjd h PRO 503 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kjd h PRO 503 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kjd h PRO 503 CO 0.14 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.56 3kjd n LYS 504 N -2.73 3.33 -0.07 1.05 5.02 -1.26 -2.87 118.16 120.63 3kjd n LYS 504 Ca -0.02 -2.29 0.17 0.00 -2.02 0.00 0.00 58.31 54.15 3kjd n LYS 504 Cb 0.19 -1.83 0.60 0.00 -0.02 0.00 0.00 35.03 33.97 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 3.76 2.30 -0.76 7.82 0.00 -1.31 -1.48 119.26 129.60 3kjd h ALA 505 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kjd h ALA 505 Cb 1.29 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 3kjd h ALA 505 CO 0.23 -0.47 0.50 1.49 0.00 0.00 0.00 179.25 180.99 3kjd h GLU 506 N 0.20 0.79 0.00 0.00 4.81 -1.80 -0.66 114.58 117.91 3kjd h GLU 506 Ca 0.30 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3kjd h GLU 506 Cb 0.89 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3kjd h GLU 506 CO -0.05 0.52 0.00 0.78 -0.73 0.00 0.00 179.01 179.53 3kjd h GLY 507 N 0.81 0.00 1.28 1.92 0.00 -1.64 -2.78 103.07 102.66 3kjd h GLY 507 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3kjd h GLY 507 CO -0.11 0.00 -0.27 1.04 0.00 0.00 0.00 176.54 177.20 3kjd n LEU 508 N -2.95 0.36 -0.11 3.11 4.77 -0.26 -4.35 117.00 117.58 3kjd n LEU 508 Ca -0.01 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3kjd n LEU 508 Cb 0.20 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3kjd n LEU 508 CO 0.23 0.08 0.94 -0.07 -1.33 0.00 0.00 177.39 177.24 3kjd h LEU 509 N 0.14 0.14 -3.77 2.23 3.38 -1.54 -3.47 115.31 112.43 3kjd h LEU 509 Ca 0.00 0.04 -0.53 0.00 0.09 0.00 0.00 57.88 57.48 3kjd h LEU 509 Cb 0.48 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3kjd h LEU 509 CO 0.00 0.12 -1.01 0.00 0.09 0.00 0.00 178.44 177.64 3kjd n GLN 510 N -5.01 -0.76 0.00 1.13 1.13 -1.26 -1.35 117.38 111.25 3kjd n GLN 510 Ca 0.01 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.43 3kjd n GLN 510 Cb 0.13 -2.70 0.00 0.00 0.11 0.00 0.00 30.24 27.78 3kjd n GLN 510 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kjd n GLY 511 N -1.91 3.04 3.57 1.08 0.00 -1.26 -5.06 105.19 104.65 3kjd n GLY 511 Ca -0.17 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 3kjd n GLY 511 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kjd n LYS 512 N 0.00 -1.07 -0.00 1.61 5.02 -0.46 -5.00 118.16 118.27 3kjd n LYS 512 Ca 0.00 -0.26 0.07 0.00 -2.02 0.00 0.00 58.31 56.10 3kjd n LYS 512 Cb 0.00 -2.23 -0.08 0.00 -0.02 0.00 0.00 35.03 32.70 3kjd n LYS 512 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3kjd n HIS 513 N -4.41 0.00 -3.49 2.13 8.25 -0.01 -4.88 115.22 112.81 3kjd n HIS 513 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 3kjd n HIS 513 Cb 0.53 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 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 -2.51 -0.49 -0.14 0.41 1.04 -1.17 -4.54 113.70 106.30 3kjd s SER 514 Ca 0.04 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 3kjd s SER 514 Cb 0.10 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 3kjd s SER 514 CO 0.57 -0.98 0.05 -0.89 0.98 0.00 0.00 173.24 172.97 3kjd s THR 515 N -3.77 4.73 -0.26 2.02 2.01 -0.38 0.47 115.64 120.45 3kjd s THR 515 Ca 0.02 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 3kjd s THR 515 Cb -0.01 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.45 3kjd s THR 515 CO -0.11 0.54 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.58 3kjd s LYS 516 N -0.31 2.90 -0.28 4.92 2.20 -0.40 -0.62 119.74 128.16 3kjd s LYS 516 Ca 0.08 -0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 54.46 3kjd s LYS 516 Cb -0.12 -3.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 3kjd s LYS 516 CO 0.02 -0.41 1.06 0.20 -0.36 0.00 0.00 175.35 175.86 3kjd s GLY 517 N 1.37 1.61 -0.20 5.54 0.00 0.71 -0.49 107.32 115.85 3kjd s GLY 517 Ca 0.01 0.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.51 3kjd s GLY 517 CO -0.03 2.24 0.84 1.08 0.00 0.00 0.00 173.10 177.23 3kjd s LEU 518 N 3.48 4.13 0.31 0.66 1.43 -0.11 -1.08 118.68 127.50 3kjd s LEU 518 Ca 0.45 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.74 3kjd s LEU 518 Cb -0.13 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3kjd s LEU 518 CO 0.12 -0.46 0.44 -0.83 0.23 0.00 0.00 176.35 175.85 3kjd s GLY 519 N 1.23 1.51 0.30 -3.19 0.00 -1.26 -4.14 107.32 101.77 3kjd s GLY 519 Ca 0.37 -1.41 0.10 0.00 0.00 0.00 0.00 44.72 43.78 3kjd s GLY 519 CO 0.10 -1.35 1.67 0.50 0.00 0.00 0.00 173.10 174.02 3kjd h LYS 520 N 0.97 0.07 -5.33 2.90 1.57 -0.98 -3.43 116.57 112.34 3kjd h LYS 520 Ca -0.47 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 57.67 3kjd h LYS 520 Cb 1.25 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.24 3kjd h LYS 520 CO 0.55 0.58 -0.85 -1.64 -0.57 0.00 0.00 179.45 177.51 3kjd s MET 521 N -3.86 2.13 0.01 3.15 -1.94 -0.72 -0.32 119.30 117.76 3kjd s MET 521 Ca -0.03 -0.68 -0.22 0.00 -1.71 0.00 0.00 55.69 53.06 3kjd s MET 521 Cb 0.13 -1.77 0.05 0.00 2.01 0.00 0.00 34.83 35.24 3kjd s MET 521 CO 0.76 0.23 0.49 0.00 -0.01 0.00 0.00 175.02 176.48 3kjd s ALA 522 N 0.15 -1.24 0.73 3.03 0.00 -0.75 -4.14 121.76 119.54 3kjd s ALA 522 Ca -0.08 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 3kjd s ALA 522 Cb -0.14 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.22 3kjd s ALA 522 CO 0.04 -0.41 0.93 -2.30 0.00 0.00 0.00 175.76 174.01 3kjd n PRO 523 N 0.71 0.44 -4.68 0.00 -0.02 -1.26 -0.34 135.00 129.85 3kjd n PRO 523 Ca -0.19 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.18 3kjd n PRO 523 Cb 0.59 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 3kjd n PRO 523 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kjd s SER 524 N -1.67 3.98 0.53 2.55 0.01 -1.26 -4.84 113.70 113.00 3kjd s SER 524 Ca 0.72 -0.33 0.27 0.00 1.31 0.00 0.00 55.95 57.92 3kjd s SER 524 Cb -0.34 -0.73 1.40 0.00 0.21 0.00 0.00 66.02 66.56 3kjd s SER 524 CO 0.52 0.28 1.95 0.77 0.41 0.00 0.00 173.24 177.16 3kjd h SER 525 N 4.69 0.03 -0.99 2.44 4.64 -1.95 -2.07 113.55 120.34 3kjd h SER 525 Ca -0.47 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.04 3kjd h SER 525 Cb 1.16 -0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 3kjd h SER 525 CO 0.49 0.01 0.59 0.00 -0.87 0.00 0.00 176.83 177.06 3kjd h ALA 526 N 1.66 1.63 -0.40 5.18 0.00 -1.96 -1.95 119.26 123.42 3kjd h ALA 526 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3kjd h ALA 526 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kjd h ALA 526 CO -0.01 -0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.90 3kjd n HIS 527 N -4.78 0.53 -2.80 0.00 -0.00 -0.78 -4.96 115.22 102.44 3kjd n HIS 527 Ca 0.23 -0.27 -0.34 0.00 -0.00 0.00 0.00 57.72 57.34 3kjd n HIS 527 Cb 0.56 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.48 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 -1.47 3.43 0.34 4.41 0.40 -0.74 -4.26 117.98 120.10 3kjd s PHE 528 Ca 0.34 1.67 0.04 0.00 -0.60 0.00 0.00 56.93 58.38 3kjd s PHE 528 Cb 0.18 -2.88 -0.07 0.00 0.51 0.00 0.00 43.02 40.76 3kjd s PHE 528 CO 0.25 -0.02 0.04 0.14 0.70 0.00 0.00 175.22 176.33 3kjd s VAL 529 N -1.98 1.36 0.07 -0.44 -7.23 -0.97 -4.99 120.40 106.22 3kjd s VAL 529 Ca 0.58 -2.01 0.09 0.00 -1.81 0.00 0.00 61.98 58.83 3kjd s VAL 529 Cb -0.13 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 3kjd s VAL 529 CO 0.17 -0.02 -0.22 0.42 -0.31 0.00 0.00 175.10 175.15 3kjd s THR 530 N -3.18 2.54 -0.21 5.32 -4.23 -1.26 0.12 115.64 114.74 3kjd s THR 530 Ca 0.36 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.48 3kjd s THR 530 Cb 0.09 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.92 3kjd s THR 530 CO 0.16 0.28 0.02 -0.22 -0.54 0.00 0.00 174.62 174.32 3kjd s LEU 531 N -1.57 1.47 -1.57 4.79 2.96 0.37 -4.85 118.68 120.29 3kjd s LEU 531 Ca 0.14 -0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 53.04 3kjd s LEU 531 Cb -0.10 -0.71 0.08 0.00 0.50 0.00 0.00 46.19 45.96 3kjd s LEU 531 CO 0.05 -0.30 0.61 0.59 -1.32 0.00 0.00 176.35 175.99 3kjd n ASN 532 N 4.97 -1.98 0.00 3.68 5.03 -1.26 -2.11 115.26 123.59 3kjd n ASN 532 Ca -0.09 -1.01 0.00 0.00 0.87 0.00 0.00 54.58 54.35 3kjd n ASN 532 Cb 0.46 -2.90 0.00 0.00 -1.02 0.00 0.00 39.78 36.32 3kjd n ASN 532 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kjd n GLY 533 N -1.71 0.66 3.35 7.41 0.00 -1.26 -5.05 105.19 108.58 3kjd n GLY 533 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.97 3.28 0.17 1.61 0.01 -0.90 -4.84 113.70 110.05 3kjd s SER 534 Ca 0.00 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 3kjd s SER 534 Cb 0.00 -0.49 -0.07 0.00 0.21 0.00 0.00 66.02 65.66 3kjd s SER 534 CO 0.00 0.32 1.14 -0.89 0.41 0.00 0.00 173.24 174.22 3kjd s THR 535 N -0.61 3.79 -0.31 1.44 2.01 -0.46 -0.48 115.64 121.03 3kjd s THR 535 Ca 0.09 1.50 -0.06 0.00 0.31 0.00 0.00 61.69 63.53 3kjd s THR 535 Cb -0.10 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.47 3kjd s THR 535 CO -0.00 0.24 0.08 -0.69 -0.69 0.00 0.00 174.62 173.55 3kjd s VAL 536 N -0.03 3.80 -1.35 3.82 1.01 0.12 -0.28 120.40 127.48 3kjd s VAL 536 Ca 0.52 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 3kjd s VAL 536 Cb -0.30 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.16 3kjd s VAL 536 CO 0.35 -0.00 2.01 -0.81 0.00 0.00 0.00 175.10 176.64 3kjd n PRO 537 N 4.83 3.30 -1.66 2.72 -0.04 -1.26 -2.29 135.00 140.59 3kjd n PRO 537 Ca -0.14 -3.16 -0.38 0.00 -0.04 0.00 0.00 63.50 59.78 3kjd n PRO 537 Cb 0.47 -3.09 0.05 0.00 -0.04 0.00 0.00 33.50 30.89 3kjd n PRO 537 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kjd n LEU 538 N 4.90 4.42 0.00 1.53 4.77 -1.26 -4.77 117.00 126.60 3kjd n LEU 538 Ca 0.45 0.87 -0.00 0.00 -0.03 0.00 0.00 56.01 57.30 3kjd n LEU 538 Cb 0.38 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3kjd n LEU 538 CO 0.85 -1.37 0.01 0.61 -1.33 0.00 0.00 177.39 176.15 3kjd n GLY 539 N 1.09 -0.41 3.87 -0.72 0.00 -1.26 -4.31 105.19 103.44 3kjd n GLY 539 Ca 0.13 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.81 2.76 0.53 1.61 0.04 -1.26 -4.95 135.00 130.92 3kjd s PRO 540 Ca 0.01 0.53 -0.21 0.00 0.04 0.00 0.00 61.00 61.38 3kjd s PRO 540 Cb -0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3kjd s PRO 540 CO 0.01 -1.12 1.17 0.00 0.04 0.00 0.00 177.00 177.10 3kjd s ALA 541 N -3.30 2.76 0.19 8.56 0.00 -1.26 -4.17 121.76 124.54 3kjd s ALA 541 Ca 0.58 0.92 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 3kjd s ALA 541 Cb -0.12 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3kjd s ALA 541 CO 0.52 -0.84 0.29 -1.54 0.00 0.00 0.00 175.76 174.19 3kjd s SER 542 N -1.57 0.05 0.30 0.00 1.04 0.53 -4.81 113.70 109.24 3kjd s SER 542 Ca 0.71 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.82 3kjd s SER 542 Cb -0.27 0.45 -0.13 0.00 0.10 0.00 0.00 66.02 66.17 3kjd s SER 542 CO 0.31 -0.93 1.36 -0.67 0.98 0.00 0.00 173.24 174.29 3kjd n ASP 543 N -0.26 2.87 0.00 7.02 -0.08 -1.26 -1.81 116.55 123.04 3kjd n ASP 543 Ca -0.04 1.18 0.11 0.00 -1.51 0.00 0.00 54.79 54.53 3kjd n ASP 543 Cb 0.63 -1.48 -0.01 0.00 2.34 0.00 0.00 41.12 42.61 3kjd n ASP 543 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3kjd n THR 544 N 1.09 0.02 -0.72 5.18 -2.24 0.57 -4.86 114.28 113.31 3kjd n THR 544 Ca 0.08 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kjd n THR 544 Cb 0.34 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.47 0.77 0.89 3.38 0.00 -1.26 -5.09 105.19 105.35 3kjd n GLY 545 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3kjd n GLY 545 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kjd n ILE 546 N -2.28 0.00 -1.22 -0.61 2.08 -1.26 -5.15 119.36 110.92 3kjd n ILE 546 Ca 0.00 -0.37 -0.57 0.00 0.56 0.00 0.00 62.75 62.36 3kjd n ILE 546 Cb 0.00 -1.20 -0.11 0.00 -0.75 0.00 0.00 39.64 37.57 3kjd n ILE 546 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kjd n TYR 552 N -1.64 1.14 -4.93 1.39 4.11 -1.26 -4.94 117.16 111.03 3kjd n TYR 552 Ca 0.04 0.76 -0.33 0.00 -0.00 0.00 0.00 57.90 58.37 3kjd n TYR 552 Cb 0.14 -2.16 -0.13 0.00 -0.00 0.00 0.00 39.34 37.18 3kjd n TYR 552 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 3kjd s THR 553 N 5.43 2.96 0.50 -3.48 2.01 -1.26 -4.78 115.64 117.02 3kjd s THR 553 Ca 1.12 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 62.14 3kjd s THR 553 Cb -1.42 -2.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 3kjd s THR 553 CO 0.64 0.59 1.12 0.18 -0.69 0.00 0.00 174.62 176.45 3kjd n LEU 554 N 2.35 3.83 0.01 4.42 4.77 -1.26 -4.88 117.00 126.23 3kjd n LEU 554 Ca -0.17 0.97 -0.16 0.00 -0.03 0.00 0.00 56.01 56.62 3kjd n LEU 554 Cb 0.52 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.12 3kjd n LEU 554 CO 0.25 -1.25 0.25 0.78 -1.33 0.00 0.00 177.39 176.09 3kjd h ASN 555 N 1.30 0.80 -4.86 -1.43 2.35 -1.93 -1.39 115.58 110.41 3kjd h ASN 555 Ca -0.48 -0.55 -0.22 0.00 -0.55 0.00 0.00 56.30 54.50 3kjd h ASN 555 Cb 1.33 -0.24 -0.20 0.00 0.05 0.00 0.00 38.32 39.26 3kjd h ASN 555 CO 0.56 1.34 -0.71 -0.31 -1.65 0.00 0.00 177.43 176.65 3kjd s TYR 556 N -3.60 0.53 0.85 1.19 2.02 -1.26 -1.75 117.35 115.33 3kjd s TYR 556 Ca -0.09 -0.59 -0.14 0.00 -0.37 0.00 0.00 57.07 55.88 3kjd s TYR 556 Cb 0.09 -0.34 -0.00 0.00 -0.40 0.00 0.00 41.96 41.31 3kjd s TYR 556 CO 0.89 -0.15 0.44 0.09 -1.57 0.00 0.00 175.55 175.25 3kjd n ASN 557 N 1.28 -1.75 -3.81 2.29 3.02 -1.26 -4.16 115.26 110.87 3kjd n ASN 557 Ca -0.22 0.45 -0.12 0.00 -0.03 0.00 0.00 54.58 54.66 3kjd n ASN 557 Cb 0.56 -1.20 -0.09 0.00 -0.61 0.00 0.00 39.78 38.44 3kjd n ASN 557 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3kjd s GLU 558 N -3.20 0.64 -0.04 3.52 -1.05 -0.24 -4.53 118.70 113.79 3kjd s GLU 558 Ca 0.60 -0.38 0.06 0.00 -0.15 0.00 0.00 54.97 55.10 3kjd s GLU 558 Cb -0.27 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.68 3kjd s GLU 558 CO 0.63 -0.18 -0.22 0.71 0.95 0.00 0.00 175.26 177.16 3kjd s TYR 559 N -1.76 2.07 -0.07 4.83 2.02 -0.03 -0.21 117.35 124.21 3kjd s TYR 559 Ca -0.11 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 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 -0.14 -0.08 0.42 -1.57 0.00 0.00 175.55 174.19 3kjd s ILE 560 N -0.21 0.84 0.12 2.71 1.09 0.21 -1.03 121.20 124.93 3kjd s ILE 560 Ca 0.00 -0.27 0.09 0.00 -1.10 0.00 0.00 60.65 59.37 3kjd s ILE 560 Cb -0.11 -0.82 -0.04 0.00 -1.06 0.00 0.00 42.46 40.42 3kjd s ILE 560 CO 0.02 0.30 -0.18 0.68 -0.10 0.00 0.00 174.94 175.66 3kjd s VAL 561 N 1.02 2.87 -0.92 2.92 -7.23 -1.00 -1.25 120.40 116.81 3kjd s VAL 561 Ca -0.09 -1.50 0.10 0.00 -1.81 0.00 0.00 61.98 58.68 3kjd s VAL 561 Cb -0.14 -2.32 0.29 0.00 0.56 0.00 0.00 36.38 34.77 3kjd s VAL 561 CO -0.00 0.09 1.23 -1.22 -0.31 0.00 0.00 175.10 174.89 3kjd n TYR 562 N 0.77 0.44 -4.09 2.82 4.01 -1.26 -0.43 117.16 119.41 3kjd n TYR 562 Ca -0.15 -0.48 -0.19 0.00 -0.16 0.00 0.00 57.90 56.92 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 -1.00 0.74 0.41 7.72 3.84 -1.26 -4.96 114.94 120.43 3kjd s ASN 563 Ca 0.22 -0.09 0.29 0.00 0.21 0.00 0.00 52.86 53.49 3kjd s ASN 563 Cb 0.12 -0.36 1.38 0.00 -0.55 0.00 0.00 41.25 41.84 3kjd s ASN 563 CO 0.15 -0.06 1.87 1.55 -2.79 0.00 0.00 177.10 177.82 3kjd h PRO 564 N 7.13 0.00 0.00 0.43 0.13 -1.91 -1.57 132.00 136.22 3kjd h PRO 564 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3kjd h PRO 564 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 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 -2.55 0.00 -0.92 1.44 0.23 -1.26 -1.67 115.26 110.53 3kjd n ASN 565 Ca -0.00 -0.54 0.07 0.00 -0.53 0.00 0.00 54.58 53.58 3kjd n ASN 565 Cb 0.15 -0.05 0.21 0.00 -2.08 0.00 0.00 39.78 38.01 3kjd n ASN 565 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kjd n GLN 566 N -1.05 2.20 -4.52 -3.83 6.02 -0.59 -0.61 117.38 114.99 3kjd n GLN 566 Ca 0.15 -1.74 -0.23 0.00 -0.01 0.00 0.00 57.00 55.16 3kjd n GLN 566 Cb 0.09 -1.41 -0.16 0.00 1.02 0.00 0.00 30.24 29.78 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 -1.41 1.02 -0.21 5.09 1.01 -0.67 -0.47 120.40 124.76 3kjd s VAL 567 Ca 0.32 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3kjd s VAL 567 Cb 0.17 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.68 3kjd s VAL 567 CO 0.21 0.32 0.01 -0.60 0.00 0.00 0.00 175.10 175.05 3kjd s ARG 568 N 0.57 0.92 0.31 2.72 3.52 -0.22 -4.87 118.95 121.89 3kjd s ARG 568 Ca -0.12 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 3kjd s ARG 568 Cb -0.14 -2.24 -0.10 0.00 -1.56 0.00 0.00 34.95 30.90 3kjd s ARG 568 CO 0.03 -0.65 1.43 -1.64 -0.81 0.00 0.00 175.30 173.66 3kjd s MET 569 N 1.72 4.24 0.00 5.12 -1.94 -1.26 -0.56 119.30 126.62 3kjd s MET 569 Ca -0.02 2.37 0.00 0.00 -1.71 0.00 0.00 55.69 56.33 3kjd s MET 569 Cb -0.18 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.61 3kjd s MET 569 CO -0.08 -0.40 0.00 0.54 -0.01 0.00 0.00 175.02 175.06 3kjd n ARG 570 N 1.45 0.00 -4.17 2.03 5.12 0.18 -4.53 116.66 116.73 3kjd n ARG 570 Ca 0.04 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.80 3kjd n ARG 570 Cb 0.40 -0.71 -0.14 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.61 0.61 -0.19 -1.55 2.02 -0.32 -0.81 117.35 115.49 3kjd s TYR 571 Ca 0.00 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3kjd s TYR 571 Cb 0.00 -0.38 0.02 0.00 -0.40 0.00 0.00 41.96 41.20 3kjd s TYR 571 CO 0.00 -0.02 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.62 3kjd s LEU 572 N -0.55 2.35 -0.16 -1.29 2.96 0.09 -0.48 118.68 121.58 3kjd s LEU 572 Ca -0.01 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.16 3kjd s LEU 572 Cb -0.05 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 3kjd s LEU 572 CO 0.00 -0.01 0.20 -0.76 -1.32 0.00 0.00 176.35 174.45 3kjd s LEU 573 N 1.32 4.26 -0.29 -0.68 1.02 0.24 -0.79 118.68 123.76 3kjd s LEU 573 Ca 0.05 0.39 -0.14 0.00 0.02 0.00 0.00 54.13 54.45 3kjd s LEU 573 Cb -0.14 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.84 3kjd s LEU 573 CO -0.11 0.20 0.33 -0.75 0.02 0.00 0.00 176.35 176.04 3kjd s LYS 574 N 0.10 3.86 -0.08 1.70 2.20 0.14 -1.60 119.74 126.06 3kjd s LYS 574 Ca 0.13 -0.18 0.05 0.00 -0.36 0.00 0.00 55.97 55.60 3kjd s LYS 574 Cb -0.12 -3.70 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 3kjd s LYS 574 CO 0.02 -0.33 -0.23 0.08 -0.36 0.00 0.00 175.35 174.52 3kjd s VAL 575 N 1.98 2.17 -0.22 4.02 1.01 0.80 -0.61 120.40 129.55 3kjd s VAL 575 Ca 0.12 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 3kjd s VAL 575 Cb -0.16 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3kjd s VAL 575 CO 0.11 0.56 0.24 -1.58 0.00 0.00 0.00 175.10 174.43 3kjd s GLN 576 N 0.07 4.13 -0.17 2.72 0.74 0.21 -1.31 119.66 126.05 3kjd s GLN 576 Ca -0.10 -0.09 -0.14 0.00 0.05 0.00 0.00 55.36 55.08 3kjd s GLN 576 Cb -0.16 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 3kjd s GLN 576 CO 0.06 0.06 0.31 -0.06 -0.55 0.00 0.00 175.29 175.11 3kjd s PHE 577 N 1.05 3.44 -0.39 1.67 0.08 0.35 -0.66 117.98 123.52 3kjd s PHE 577 Ca 0.12 0.59 -0.04 0.00 0.12 0.00 0.00 56.93 57.72 3kjd s PHE 577 Cb -0.14 -2.38 0.10 0.00 -0.57 0.00 0.00 43.02 40.03 3kjd s PHE 577 CO 0.05 0.18 0.18 -0.80 -0.10 0.00 0.00 175.22 174.73 3kjd s ASN 578 N 0.62 5.26 0.00 1.36 0.01 0.50 -4.83 114.94 117.85 3kjd s ASN 578 Ca 0.17 -1.84 0.26 0.00 -0.71 0.00 0.00 52.86 50.74 3kjd s ASN 578 Cb -0.13 -1.83 0.72 0.00 0.41 0.00 0.00 41.25 40.42 3kjd s ASN 578 CO 0.05 -0.50 1.56 0.49 -1.51 0.00 0.00 177.10 177.19