#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g45 h ASN 248 N 0.00 0.00 0.80 -3.46 4.21 -2.05 -3.03 115.58 112.05 3g45 h ASN 248 Ca 0.00 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.34 3g45 h ASN 248 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 3g45 h ASN 248 CO 0.00 0.77 -0.80 0.07 -1.29 0.00 0.00 177.43 176.18 3g45 h LYS 249 N 0.00 0.00 -0.16 0.81 5.09 -2.05 0.14 116.57 120.41 3g45 h LYS 249 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 3g45 h LYS 249 Cb 1.43 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.75 3g45 h LYS 249 CO 0.10 0.80 0.03 0.35 -2.09 0.00 0.00 179.45 178.64 3g45 h PHE 250 N 0.00 0.27 -0.68 0.07 3.04 -1.99 -1.57 116.94 116.08 3g45 h PHE 250 Ca -0.01 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 3g45 h PHE 250 Cb 1.42 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.82 3g45 h PHE 250 CO 0.00 0.42 0.35 0.87 -2.02 0.00 0.00 178.31 177.93 3g45 h LYS 251 N 0.05 0.96 -0.55 1.11 1.79 -1.40 0.06 116.57 118.59 3g45 h LYS 251 Ca 0.05 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3g45 h LYS 251 Cb 0.29 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3g45 h LYS 251 CO 0.00 0.75 0.18 0.00 -1.08 0.00 0.00 179.45 179.30 3g45 h ARG 252 N 0.94 0.85 -0.33 3.15 3.08 -1.00 -1.57 114.38 119.50 3g45 h ARG 252 Ca 0.24 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3g45 h ARG 252 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3g45 h ARG 252 CO -0.03 0.77 0.12 1.98 -1.07 0.00 0.00 179.97 181.74 3g45 h MET 253 N 0.76 0.49 -0.48 0.04 4.05 -1.02 -1.51 114.93 117.27 3g45 h MET 253 Ca 0.18 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.56 3g45 h MET 253 Cb 0.27 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 3g45 h MET 253 CO -0.01 0.50 0.19 1.25 0.23 0.00 0.00 176.91 179.08 3g45 h LEU 254 N 0.38 0.23 -1.02 3.39 7.12 -0.93 -2.38 115.31 122.09 3g45 h LEU 254 Ca 0.11 0.05 -0.06 0.00 0.13 0.00 0.00 57.88 58.11 3g45 h LEU 254 Cb 0.20 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 3g45 h LEU 254 CO -0.01 0.16 0.08 -1.13 -0.13 0.00 0.00 178.44 177.42 3g45 h ASN 255 N 0.38 0.74 -0.53 1.25 -0.73 -1.13 -2.92 115.58 112.63 3g45 h ASN 255 Ca 0.22 -0.14 -0.07 0.00 1.87 0.00 0.00 56.30 58.18 3g45 h ASN 255 Cb 0.20 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 3g45 h ASN 255 CO -0.21 0.75 0.07 -0.09 -0.37 0.00 0.00 177.43 177.59 3g45 h ARG 256 N 0.75 0.89 0.08 6.67 2.43 -0.79 -1.71 114.38 122.70 3g45 h ARG 256 Ca 0.16 -0.25 -0.29 0.00 -0.81 0.00 0.00 59.98 58.80 3g45 h ARG 256 Cb 0.34 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3g45 h ARG 256 CO 0.01 0.88 -1.17 0.93 -1.51 0.00 0.00 179.97 179.10 3g45 h GLU 257 N 0.78 0.63 -0.40 0.20 5.08 -1.41 -1.60 114.58 117.85 3g45 h GLU 257 Ca 0.16 -0.78 -0.05 0.00 -1.00 0.00 0.00 59.36 57.69 3g45 h GLU 257 Cb 0.43 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3g45 h GLU 257 CO 0.01 1.35 0.03 -0.07 -1.00 0.00 0.00 179.01 179.33 3g45 h LEU 258 N 0.31 0.59 -0.28 1.33 3.38 -1.55 -0.19 115.31 118.89 3g45 h LEU 258 Ca -0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3g45 h LEU 258 Cb 1.84 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3g45 h LEU 258 CO 0.22 0.64 -0.04 0.74 0.09 0.00 0.00 178.44 180.09 3g45 h THR 259 N 0.60 1.27 -0.61 0.22 2.02 -1.20 -2.07 112.91 113.15 3g45 h THR 259 Ca 0.13 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.29 3g45 h THR 259 Cb 0.33 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3g45 h THR 259 CO 0.01 0.33 0.40 -0.74 0.37 0.00 0.00 175.52 175.88 3g45 h HIS 260 N 0.29 0.76 -0.77 3.16 -0.00 -1.16 -2.81 115.15 114.61 3g45 h HIS 260 Ca 0.07 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.51 3g45 h HIS 260 Cb 0.50 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 27.60 3g45 h HIS 260 CO 0.05 0.47 0.47 1.25 -0.00 0.00 0.00 177.93 180.17 3g45 h LEU 261 N 0.81 0.74 -0.43 0.26 5.85 -0.92 -2.42 115.31 119.21 3g45 h LEU 261 Ca 0.23 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3g45 h LEU 261 Cb -0.08 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 3g45 h LEU 261 CO -0.05 0.49 -0.10 0.77 -0.34 0.00 0.00 178.44 179.20 3g45 h SER 262 N 0.88 0.00 0.93 1.25 4.64 -1.22 -2.90 113.55 117.12 3g45 h SER 262 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3g45 h SER 262 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3g45 h SER 262 CO -0.16 0.10 -0.36 -0.62 -0.87 0.00 0.00 176.83 174.92 3g45 n GLU 263 N -3.15 0.17 -0.31 4.77 1.02 -1.08 -3.59 120.64 118.48 3g45 n GLU 263 Ca 0.03 0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.26 3g45 n GLU 263 Cb 0.50 -1.64 0.20 0.00 -0.02 0.00 0.00 31.44 30.49 3g45 n GLU 263 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3g45 h MET 264 N 0.00 1.10 0.00 3.49 2.86 -1.22 -3.48 114.93 117.68 3g45 h MET 264 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3g45 h MET 264 Cb 0.65 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3g45 h MET 264 CO 0.00 0.73 0.00 -1.13 1.06 0.00 0.00 176.91 177.57 3g45 n SER 265 N -4.44 0.00 -0.26 1.22 3.41 -1.26 -4.95 113.62 107.34 3g45 n SER 265 Ca 0.12 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.78 3g45 n SER 265 Cb 0.10 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.24 3g45 n SER 265 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3g45 h ARG 266 N 0.00 0.44 -0.19 4.33 -0.00 -1.93 -0.16 114.38 116.87 3g45 h ARG 266 Ca 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.95 3g45 h ARG 266 Cb 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 29.86 3g45 h ARG 266 CO 0.00 0.29 0.10 1.03 -0.00 0.00 0.00 179.97 181.39 3g45 h SER 267 N 0.45 0.23 0.25 0.08 0.87 -1.94 -2.31 113.55 111.18 3g45 h SER 267 Ca 0.41 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 3g45 h SER 267 Cb 0.62 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3g45 h SER 267 CO -0.40 0.24 -0.30 1.23 -0.53 0.00 0.00 176.83 177.08 3g45 h GLY 268 N 0.20 0.09 0.69 5.77 0.00 -1.63 -1.61 103.07 106.58 3g45 h GLY 268 Ca 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3g45 h GLY 268 CO -0.01 0.06 0.14 -0.57 0.00 0.00 0.00 176.54 176.16 3g45 h ASN 269 N 0.07 0.16 0.50 0.19 -0.73 -0.62 0.59 115.58 115.75 3g45 h ASN 269 Ca 0.01 0.04 -0.18 0.00 1.87 0.00 0.00 56.30 58.04 3g45 h ASN 269 Cb 0.57 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 3g45 h ASN 269 CO 0.04 0.13 -0.76 1.56 -0.37 0.00 0.00 177.43 178.03 3g45 h GLN 270 N 0.31 0.20 -0.29 6.67 1.08 -1.00 0.31 115.11 122.38 3g45 h GLN 270 Ca 0.17 -0.19 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 3g45 h GLN 270 Cb 0.14 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3g45 h GLN 270 CO -0.17 0.87 -0.45 0.28 -0.95 0.00 0.00 178.83 178.41 3g45 h VAL 271 N 0.13 1.29 -0.47 -0.54 2.07 -1.24 -1.13 116.25 116.35 3g45 h VAL 271 Ca -0.03 -1.63 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 3g45 h VAL 271 Cb 1.34 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 3g45 h VAL 271 CO 0.12 0.53 -0.10 -1.28 0.02 0.00 0.00 177.57 176.85 3g45 h SER 272 N 0.59 0.85 -0.38 0.57 0.87 -0.66 -0.50 113.55 114.90 3g45 h SER 272 Ca 0.03 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 3g45 h SER 272 Cb 1.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3g45 h SER 272 CO 0.10 0.98 0.12 -0.08 -0.53 0.00 0.00 176.83 177.42 3g45 h GLU 273 N 0.78 0.59 0.07 2.24 4.81 -0.38 -2.66 114.58 120.03 3g45 h GLU 273 Ca 0.13 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3g45 h GLU 273 Cb 0.61 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3g45 h GLU 273 CO 0.04 0.60 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.85 3g45 h TYR 274 N 0.47 -0.38 -0.11 0.92 5.03 -0.93 -1.67 116.97 120.30 3g45 h TYR 274 Ca 0.12 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.46 3g45 h TYR 274 Cb 0.25 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 3g45 h TYR 274 CO 0.01 -0.22 -0.02 0.82 -1.32 0.00 0.00 178.16 177.42 3g45 h ILE 275 N -0.28 0.90 -0.86 1.81 2.04 -1.06 -1.04 117.51 119.02 3g45 h ILE 275 Ca 0.03 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.98 3g45 h ILE 275 Cb 0.31 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3g45 h ILE 275 CO -0.09 0.00 0.50 0.28 0.00 0.00 0.00 178.15 178.84 3g45 h SER 276 N 0.00 0.73 -0.01 1.72 0.02 -1.42 0.19 113.55 114.78 3g45 h SER 276 Ca 0.05 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3g45 h SER 276 Cb 0.08 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3g45 h SER 276 CO -0.11 0.41 0.00 0.59 -1.14 0.00 0.00 176.83 176.58 3g45 n ASN 277 N -4.71 0.53 0.00 3.07 3.02 -0.64 -4.18 115.26 112.35 3g45 n ASN 277 Ca 0.15 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3g45 n ASN 277 Cb 0.29 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3g45 n ASN 277 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3g45 n THR 278 N -0.56 0.00 0.56 3.41 -1.04 -0.45 -4.91 114.28 111.28 3g45 n THR 278 Ca 0.21 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.29 3g45 n THR 278 Cb 0.19 -0.55 0.02 0.00 -1.82 0.00 0.00 70.33 68.18 3g45 n THR 278 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3g45 n PHE 279 N -2.37 0.00 -4.24 -1.42 3.01 0.61 -1.73 117.46 111.31 3g45 n PHE 279 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 3g45 n PHE 279 Cb 0.37 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.77 3g45 n PHE 279 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3g45 s LEU 280 N -1.49 3.29 -0.73 4.37 1.43 -1.24 -2.58 118.68 121.73 3g45 s LEU 280 Ca 0.13 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 3g45 s LEU 280 Cb 0.11 -1.87 0.19 0.00 0.03 0.00 0.00 46.19 44.65 3g45 s LEU 280 CO 0.25 0.03 0.64 -0.62 0.23 0.00 0.00 176.35 176.88 3g45 s ASP 281 N -3.38 6.33 0.00 2.29 -1.08 -1.03 -4.67 116.67 115.12 3g45 s ASP 281 Ca 0.30 -2.54 0.00 0.00 -0.52 0.00 0.00 52.55 49.78 3g45 s ASP 281 Cb -0.08 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.25 3g45 s ASP 281 CO 0.20 -0.58 0.00 -0.24 0.52 0.00 0.00 175.17 175.06 3g45 n SER 324 N 4.12 0.00 -0.09 -0.34 2.88 -1.26 -5.15 113.62 113.78 3g45 n SER 324 Ca 0.07 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.54 3g45 n SER 324 Cb 0.44 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.99 3g45 n SER 324 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3g45 h ILE 325 N 0.00 1.27 -0.19 2.46 6.09 -1.92 0.24 117.51 125.45 3g45 h ILE 325 Ca 0.00 -1.31 -0.07 0.00 -1.37 0.00 0.00 64.86 62.10 3g45 h ILE 325 Cb 0.00 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.47 3g45 h ILE 325 CO 0.00 0.44 -0.20 -1.28 -3.07 0.00 0.00 178.15 174.04 3g45 h SER 326 N 0.68 0.33 0.17 2.19 0.87 -1.95 -0.85 113.55 114.99 3g45 h SER 326 Ca 0.10 -0.09 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 3g45 h SER 326 Cb 0.71 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3g45 h SER 326 CO 0.05 0.55 -1.61 -0.09 -0.53 0.00 0.00 176.83 175.20 3g45 h ARG 327 N 0.31 0.36 0.00 2.24 2.43 -1.83 -3.42 114.38 114.47 3g45 h ARG 327 Ca 0.05 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3g45 h ARG 327 Cb 0.53 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3g45 h ARG 327 CO 0.04 1.29 -0.19 1.19 -1.51 0.00 0.00 179.97 180.79 3g45 n PHE 328 N -3.71 0.00 -0.50 2.20 3.01 0.80 -4.99 117.46 114.26 3g45 n PHE 328 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 3g45 n PHE 328 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 3g45 n PHE 328 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g45 n GLY 329 N 1.13 1.85 3.16 1.37 0.00 -0.32 -4.53 105.19 107.85 3g45 n GLY 329 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3g45 n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g45 s VAL 330 N -3.45 0.98 -0.35 1.61 -7.23 -1.26 -4.83 120.40 105.87 3g45 s VAL 330 Ca 0.00 -1.35 -0.22 0.00 -1.81 0.00 0.00 61.98 58.60 3g45 s VAL 330 Cb 0.00 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.88 3g45 s VAL 330 CO 0.00 -0.33 0.70 0.21 -0.31 0.00 0.00 175.10 175.37 3g45 s ASN 331 N -1.89 6.50 0.04 4.85 3.84 -1.26 -3.53 114.94 123.48 3g45 s ASN 331 Ca -0.01 0.29 -0.04 0.00 0.21 0.00 0.00 52.86 53.30 3g45 s ASN 331 Cb -0.08 -2.36 -0.02 0.00 -0.55 0.00 0.00 41.25 38.24 3g45 s ASN 331 CO 0.02 -0.63 0.06 0.28 -2.79 0.00 0.00 177.10 174.03 3g45 s THR 332 N 2.86 0.14 -0.46 -5.21 -1.32 -1.26 -4.75 115.64 105.64 3g45 s THR 332 Ca 0.28 -1.17 0.15 0.00 -1.21 0.00 0.00 61.69 59.74 3g45 s THR 332 Cb -0.14 -0.90 0.51 0.00 -1.51 0.00 0.00 72.50 70.46 3g45 s THR 332 CO 0.15 -0.64 1.42 -1.84 -2.21 0.00 0.00 174.62 171.50 3g45 n GLU 333 N 0.78 3.13 -1.99 7.08 0.00 -1.26 -4.50 120.64 123.88 3g45 n GLU 333 Ca -0.19 -2.67 -0.34 0.00 0.00 0.00 0.00 57.16 53.97 3g45 n GLU 333 Cb 0.58 -1.73 0.03 0.00 0.00 0.00 0.00 31.44 30.32 3g45 n GLU 333 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3g45 n ASN 334 N -0.03 6.46 0.16 -1.84 3.02 -1.26 -4.83 115.26 116.94 3g45 n ASN 334 Ca 0.20 -3.79 0.04 0.00 -0.03 0.00 0.00 54.58 51.00 3g45 n ASN 334 Cb 0.80 -0.79 0.45 0.00 -0.61 0.00 0.00 39.78 39.62 3g45 n ASN 334 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3g45 h GLU 335 N 2.61 0.16 -0.00 3.52 5.08 -1.90 -1.10 114.58 122.94 3g45 h GLU 335 Ca 0.48 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3g45 h GLU 335 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3g45 h GLU 335 CO 1.22 0.28 -0.01 -0.44 -1.00 0.00 0.00 179.01 179.06 3g45 h ASP 336 N 0.15 0.01 -0.53 1.42 3.32 -1.98 -2.55 116.42 116.26 3g45 h ASP 336 Ca 0.03 -0.67 -0.00 0.00 0.02 0.00 0.00 57.03 56.41 3g45 h ASP 336 Cb 0.31 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3g45 h ASP 336 CO 0.02 0.68 0.33 0.45 -1.72 0.00 0.00 179.24 179.00 3g45 h HIS 337 N -0.66 0.70 -0.62 4.55 3.86 -1.89 -2.38 115.15 118.70 3g45 h HIS 337 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3g45 h HIS 337 Cb 0.68 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 3g45 h HIS 337 CO 0.16 0.47 0.34 1.25 0.86 0.00 0.00 177.93 181.02 3g45 h LEU 338 N 0.72 0.77 -1.48 2.43 5.85 -1.32 -2.64 115.31 119.64 3g45 h LEU 338 Ca 0.19 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3g45 h LEU 338 Cb -0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3g45 h LEU 338 CO -0.04 0.64 0.27 0.00 -0.34 0.00 0.00 178.44 178.98 3g45 h ALA 339 N 1.16 1.61 -0.04 1.25 0.00 -1.08 -1.06 119.26 121.10 3g45 h ALA 339 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3g45 h ALA 339 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3g45 h ALA 339 CO -0.04 0.34 -0.14 -0.22 0.00 0.00 0.00 179.25 179.20 3g45 h LYS 340 N 0.63 0.17 -0.98 0.00 3.11 -1.19 -2.82 116.57 115.50 3g45 h LYS 340 Ca 0.17 -0.12 0.12 0.00 -2.81 0.00 0.00 60.65 58.00 3g45 h LYS 340 Cb -0.01 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.15 3g45 h LYS 340 CO -0.03 0.75 0.61 0.93 -2.81 0.00 0.00 179.45 178.89 3g45 h GLU 341 N -0.37 0.94 0.00 1.90 4.39 -1.23 -1.84 114.58 118.37 3g45 h GLU 341 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3g45 h GLU 341 Cb 0.76 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3g45 h GLU 341 CO 0.03 0.62 0.00 1.28 -1.16 0.00 0.00 179.01 179.78 3g45 n LEU 342 N -4.64 0.00 0.01 1.33 4.77 -0.42 -1.84 117.00 116.22 3g45 n LEU 342 Ca 0.18 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 3g45 n LEU 342 Cb 0.34 -0.13 0.47 0.00 -2.33 0.00 0.00 43.42 41.77 3g45 n LEU 342 CO 0.27 -0.04 0.86 -0.62 -1.33 0.00 0.00 177.39 176.53 3g45 n GLU 343 N -1.13 0.03 -0.30 3.23 1.02 -0.69 -2.61 120.64 120.19 3g45 n GLU 343 Ca 0.14 0.14 0.07 0.00 -0.02 0.00 0.00 57.16 57.48 3g45 n GLU 343 Cb 0.12 -1.54 0.21 0.00 -0.02 0.00 0.00 31.44 30.22 3g45 n GLU 343 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3g45 n ASP 344 N -1.58 2.77 -0.16 1.62 8.00 -0.77 -4.58 116.55 121.85 3g45 n ASP 344 Ca 0.05 -2.11 -0.02 0.00 0.71 0.00 0.00 54.79 53.42 3g45 n ASP 344 Cb 0.27 -0.37 0.06 0.00 -0.02 0.00 0.00 41.12 41.06 3g45 n ASP 344 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3g45 h LEU 345 N 2.68 -0.15 -0.70 0.64 5.85 -1.70 0.14 115.31 122.07 3g45 h LEU 345 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3g45 h LEU 345 Cb 0.78 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3g45 h LEU 345 CO 0.06 -0.05 0.00 0.59 -0.34 0.00 0.00 178.44 178.70 3g45 n ASN 346 N -5.20 0.92 -4.40 1.25 3.02 -1.26 -4.76 115.26 104.84 3g45 n ASN 346 Ca 0.06 -2.04 -0.30 0.00 -0.03 0.00 0.00 54.58 52.26 3g45 n ASN 346 Cb 0.27 -0.22 -0.14 0.00 -0.61 0.00 0.00 39.78 39.08 3g45 n ASN 346 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g45 s LYS 347 N -1.66 1.91 0.51 3.52 1.02 0.49 -4.90 119.74 120.63 3g45 s LYS 347 Ca 0.07 -1.06 0.19 0.00 0.02 0.00 0.00 55.97 55.19 3g45 s LYS 347 Cb 0.04 -2.07 1.27 0.00 -0.52 0.00 0.00 37.83 36.56 3g45 s LYS 347 CO 0.04 0.52 2.05 2.35 -0.92 0.00 0.00 175.35 179.39 3g45 h TRP 348 N 4.65 0.09 0.00 3.18 -0.00 -1.90 -2.30 115.95 119.67 3g45 h TRP 348 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 3g45 h TRP 348 Cb 1.15 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 30.28 3g45 h TRP 348 CO 0.51 0.05 0.00 0.41 -0.00 0.00 0.00 178.44 179.41 3g45 n GLY 349 N -1.58 -0.97 3.56 2.65 0.00 -1.26 -4.91 105.19 102.68 3g45 n GLY 349 Ca 0.05 -0.18 -0.52 0.00 0.00 0.00 0.00 46.02 45.37 3g45 n GLY 349 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g45 n LEU 350 N -1.03 1.21 -4.35 0.99 0.00 -0.87 -4.89 117.00 108.07 3g45 n LEU 350 Ca 0.22 1.13 -0.45 0.00 0.00 0.00 0.00 56.01 56.91 3g45 n LEU 350 Cb 0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 43.42 42.35 3g45 n LEU 350 CO 0.17 -1.37 0.34 0.21 0.00 0.00 0.00 177.39 176.74 3g45 s ASN 351 N 0.15 6.29 0.50 1.96 3.84 -1.26 -4.92 114.94 121.49 3g45 s ASN 351 Ca 0.80 -1.77 0.28 0.00 0.21 0.00 0.00 52.86 52.38 3g45 s ASN 351 Cb -0.96 -2.26 1.15 0.00 -0.55 0.00 0.00 41.25 38.63 3g45 s ASN 351 CO 0.51 -0.94 1.91 -0.29 -2.79 0.00 0.00 177.10 175.50 3g45 h ILE 352 N 5.75 0.30 -0.09 -5.21 6.09 -1.97 -2.42 117.51 119.97 3g45 h ILE 352 Ca -0.22 -0.81 -0.01 0.00 -1.37 0.00 0.00 64.86 62.45 3g45 h ILE 352 Cb 1.08 1.63 -0.00 0.00 0.47 0.00 0.00 36.82 40.00 3g45 h ILE 352 CO 1.03 0.11 0.02 -0.26 -3.07 0.00 0.00 178.15 175.99 3g45 h PHE 353 N 0.00 0.15 -0.60 2.19 0.04 -1.96 -0.96 116.94 115.79 3g45 h PHE 353 Ca -0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3g45 h PHE 353 Cb 0.62 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 3g45 h PHE 353 CO 0.00 0.33 0.28 -0.91 -0.60 0.00 0.00 178.31 177.41 3g45 h ASN 354 N -0.08 0.77 -0.62 2.17 2.35 -1.90 -0.64 115.58 117.63 3g45 h ASN 354 Ca 0.03 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3g45 h ASN 354 Cb 0.26 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3g45 h ASN 354 CO 0.00 0.66 0.40 0.58 -1.65 0.00 0.00 177.43 177.42 3g45 h VAL 355 N 0.85 1.13 -0.29 2.81 2.07 -1.23 -0.17 116.25 121.43 3g45 h VAL 355 Ca 0.21 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3g45 h VAL 355 Cb 0.10 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3g45 h VAL 355 CO -0.03 0.15 0.09 0.00 0.02 0.00 0.00 177.57 177.80 3g45 h ALA 356 N 1.24 0.32 -0.76 1.67 0.00 -0.36 -1.14 119.26 120.23 3g45 h ALA 356 Ca 0.23 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.31 3g45 h ALA 356 Cb -0.06 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 3g45 h ALA 356 CO -0.06 -0.31 0.32 0.78 0.00 0.00 0.00 179.25 179.98 3g45 h GLY 357 N 0.22 1.16 -0.61 0.00 0.00 -0.41 -0.63 103.07 102.80 3g45 h GLY 357 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3g45 h GLY 357 CO -0.14 -0.07 -0.17 -1.72 0.00 0.00 0.00 176.54 174.44 3g45 n TYR 358 N -4.97 0.00 -0.99 5.60 4.01 -0.14 -4.05 117.16 116.61 3g45 n TYR 358 Ca 0.14 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.97 3g45 n TYR 358 Cb 0.40 -0.04 0.27 0.00 -0.31 0.00 0.00 39.34 39.66 3g45 n TYR 358 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3g45 n SER 359 N 0.09 4.05 -3.95 7.72 3.41 -0.46 -4.63 113.62 119.85 3g45 n SER 359 Ca 0.14 -3.02 -0.26 0.00 -0.26 0.00 0.00 58.87 55.47 3g45 n SER 359 Cb 0.42 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3g45 n SER 359 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g45 n HIS 360 N -0.42 -1.71 -3.75 7.33 8.25 -1.21 -2.42 115.22 121.31 3g45 n HIS 360 Ca 0.22 0.77 -0.25 0.00 -0.26 0.00 0.00 57.72 58.20 3g45 n HIS 360 Cb 0.92 -3.75 0.04 0.00 1.12 0.00 0.00 29.99 28.32 3g45 n HIS 360 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g45 n ASN 361 N -2.96 -3.27 -2.70 0.41 5.03 -0.27 -4.95 115.26 106.55 3g45 n ASN 361 Ca -0.26 -0.75 -0.26 0.00 0.87 0.00 0.00 54.58 54.18 3g45 n ASN 361 Cb 0.66 -4.21 -0.02 0.00 -1.02 0.00 0.00 39.78 35.20 3g45 n ASN 361 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3g45 n ARG 362 N -4.51 3.14 -0.10 3.52 5.12 -1.01 -4.93 116.66 117.88 3g45 n ARG 362 Ca -0.13 -4.54 0.02 0.00 -1.93 0.00 0.00 57.85 51.27 3g45 n ARG 362 Cb 0.61 -2.17 0.33 0.00 -1.16 0.00 0.00 32.46 30.06 3g45 n ARG 362 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g45 h PRO 363 N 2.78 0.74 -0.15 5.56 0.13 -1.86 -1.85 132.00 137.35 3g45 h PRO 363 Ca 0.20 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 3g45 h PRO 363 Cb 0.77 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3g45 h PRO 363 CO 0.81 0.52 -0.28 1.25 -0.23 0.00 0.00 178.00 180.06 3g45 h LEU 364 N 0.76 0.52 -0.21 1.56 5.85 -1.92 -0.64 115.31 121.23 3g45 h LEU 364 Ca 0.20 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3g45 h LEU 364 Cb -0.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3g45 h LEU 364 CO -0.04 0.96 0.11 0.74 -0.34 0.00 0.00 178.44 179.87 3g45 h THR 365 N 0.09 1.12 0.04 1.05 2.02 -1.79 -0.54 112.91 114.89 3g45 h THR 365 Ca 0.01 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 3g45 h THR 365 Cb 0.87 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3g45 h THR 365 CO 0.06 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 176.05 3g45 h ILE 367 N -0.18 1.23 -0.62 0.00 6.09 -1.02 -0.93 117.51 122.07 3g45 h ILE 367 Ca -0.01 -0.71 -0.08 0.00 -1.37 0.00 0.00 64.86 62.70 3g45 h ILE 367 Cb 0.17 0.61 -0.02 0.00 0.47 0.00 0.00 36.82 38.04 3g45 h ILE 367 CO 0.01 0.27 0.07 0.24 -3.07 0.00 0.00 178.15 175.68 3g45 h MET 368 N 0.80 1.03 -0.38 2.19 2.86 -1.00 0.45 114.93 120.87 3g45 h MET 368 Ca 0.19 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 3g45 h MET 368 Cb 0.21 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3g45 h MET 368 CO -0.02 0.96 -0.31 -0.92 1.06 0.00 0.00 176.91 177.69 3g45 h TYR 369 N 0.96 0.97 -0.08 -0.22 3.20 -1.14 -0.84 116.97 119.82 3g45 h TYR 369 Ca 0.19 -0.26 0.01 0.00 3.14 0.00 0.00 58.73 61.81 3g45 h TYR 369 Cb 0.45 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3g45 h TYR 369 CO 0.03 1.03 -0.00 0.00 -1.64 0.00 0.00 178.16 177.58 3g45 h ALA 370 N 0.94 0.07 -0.57 1.82 0.00 -0.52 -0.78 119.26 120.22 3g45 h ALA 370 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g45 h ALA 370 Cb 0.86 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3g45 h ALA 370 CO 0.08 -0.47 0.33 0.82 0.00 0.00 0.00 179.25 180.00 3g45 h ILE 371 N 0.03 1.18 -0.24 0.00 2.04 -0.77 0.20 117.51 119.94 3g45 h ILE 371 Ca 0.04 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.34 3g45 h ILE 371 Cb 0.05 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3g45 h ILE 371 CO -0.07 0.19 -0.38 -0.26 0.00 0.00 0.00 178.15 177.63 3g45 h PHE 372 N 0.77 0.64 0.32 1.37 -1.00 -1.05 -1.37 116.94 116.63 3g45 h PHE 372 Ca 0.20 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 3g45 h PHE 372 Cb 0.02 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.44 3g45 h PHE 372 CO -0.02 0.85 -0.16 1.96 -1.61 0.00 0.00 178.31 179.33 3g45 h GLN 373 N 0.45 -0.42 -0.88 1.51 1.08 -0.85 -0.61 115.11 115.39 3g45 h GLN 373 Ca 0.04 0.03 0.21 0.00 -1.45 0.00 0.00 58.65 57.48 3g45 h GLN 373 Cb 0.87 0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 28.23 3g45 h GLN 373 CO 0.07 -0.15 -0.06 1.49 -0.95 0.00 0.00 178.83 179.23 3g45 h GLU 374 N -0.65 0.04 -0.02 1.46 4.57 -0.43 -1.94 114.58 117.62 3g45 h GLU 374 Ca -0.04 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3g45 h GLU 374 Cb 0.46 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3g45 h GLU 374 CO 0.07 0.03 -0.23 0.54 -1.18 0.00 0.00 179.01 178.24 3g45 n ARG 375 N -5.47 1.51 -2.23 1.92 1.74 -0.53 -4.96 116.66 108.65 3g45 n ARG 375 Ca 0.17 -1.15 -0.12 0.00 -0.77 0.00 0.00 57.85 55.99 3g45 n ARG 375 Cb 0.57 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 3g45 n ARG 375 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g45 n ASP 376 N 0.26 -3.76 0.08 0.55 4.64 -0.67 -4.92 116.55 112.72 3g45 n ASP 376 Ca 0.13 -0.01 -0.05 0.00 -1.38 0.00 0.00 54.79 53.47 3g45 n ASP 376 Cb 0.46 -2.97 0.12 0.00 -1.04 0.00 0.00 41.12 37.69 3g45 n ASP 376 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3g45 h LEU 377 N -0.01 0.30 -0.16 -2.67 3.38 -1.42 -2.15 115.31 112.59 3g45 h LEU 377 Ca -0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3g45 h LEU 377 Cb 1.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3g45 h LEU 377 CO 0.33 0.82 0.07 -0.07 0.09 0.00 0.00 178.44 179.68 3g45 h LEU 378 N 0.20 0.22 0.59 1.67 3.38 -1.85 -1.44 115.31 118.09 3g45 h LEU 378 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3g45 h LEU 378 Cb 1.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3g45 h LEU 378 CO 0.09 0.30 -0.36 0.11 0.09 0.00 0.00 178.44 178.67 3g45 h LYS 379 N 0.12 -0.87 -0.99 1.13 1.57 -1.78 0.71 116.57 116.47 3g45 h LYS 379 Ca 0.06 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.09 3g45 h LYS 379 Cb 0.15 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 3g45 h LYS 379 CO -0.01 -0.58 0.61 1.15 -0.57 0.00 0.00 179.45 180.06 3g45 h THR 380 N -0.90 0.70 -0.49 -0.16 2.02 -1.24 -0.04 112.91 112.81 3g45 h THR 380 Ca -0.07 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3g45 h THR 380 Cb 0.73 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3g45 h THR 380 CO 0.07 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.58 3g45 n PHE 381 N -4.71 0.75 -3.75 3.16 3.72 -0.55 -4.97 117.46 111.11 3g45 n PHE 381 Ca 0.23 -0.54 -0.23 0.00 -0.05 0.00 0.00 57.45 56.85 3g45 n PHE 381 Cb 0.60 -0.06 0.02 0.00 -0.94 0.00 0.00 39.48 39.10 3g45 n PHE 381 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3g45 n ARG 382 N 0.85 -3.88 -3.77 -1.08 1.74 -0.03 -4.56 116.66 105.93 3g45 n ARG 382 Ca 0.18 0.55 -0.35 0.00 -0.77 0.00 0.00 57.85 57.45 3g45 n ARG 382 Cb 0.56 -4.88 -0.09 0.00 -1.02 0.00 0.00 32.46 27.03 3g45 n ARG 382 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g45 s ILE 383 N -3.72 5.19 0.39 0.55 1.01 0.23 -4.74 121.20 120.12 3g45 s ILE 383 Ca 0.08 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 3g45 s ILE 383 Cb -0.02 -3.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 3g45 s ILE 383 CO 0.84 0.41 0.81 -0.94 0.00 0.00 0.00 174.94 176.05 3g45 s SER 384 N 0.67 6.68 0.32 3.58 1.04 -1.26 -4.49 113.70 120.25 3g45 s SER 384 Ca 0.07 1.32 0.04 0.00 0.48 0.00 0.00 55.95 57.85 3g45 s SER 384 Cb -0.12 -2.39 0.66 0.00 0.10 0.00 0.00 66.02 64.26 3g45 s SER 384 CO 0.01 -0.35 1.89 0.28 0.98 0.00 0.00 173.24 176.06 3g45 h SER 385 N 1.67 0.79 0.55 7.02 0.02 -1.98 -0.11 113.55 121.52 3g45 h SER 385 Ca -0.48 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3g45 h SER 385 Cb 1.18 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3g45 h SER 385 CO 0.64 0.46 -0.28 -0.78 -1.14 0.00 0.00 176.83 175.73 3g45 h ASP 386 N 0.87 -0.68 -0.79 3.07 3.58 -1.96 -0.17 116.42 120.35 3g45 h ASP 386 Ca 0.42 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.89 3g45 h ASP 386 Cb 0.43 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 3g45 h ASP 386 CO -0.18 -0.47 0.49 0.74 -2.88 0.00 0.00 179.24 176.94 3g45 h THR 387 N -0.77 1.22 -0.28 2.25 2.02 -1.64 -1.48 112.91 114.23 3g45 h THR 387 Ca -0.07 -0.45 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 3g45 h THR 387 Cb 0.60 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3g45 h THR 387 CO 0.11 0.22 -0.16 0.15 0.37 0.00 0.00 175.52 176.22 3g45 h PHE 388 N 1.07 0.70 -0.20 3.16 3.57 -0.91 -1.19 116.94 123.14 3g45 h PHE 388 Ca 0.28 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3g45 h PHE 388 Cb -0.06 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 3g45 h PHE 388 CO -0.01 0.86 -0.35 0.82 -2.23 0.00 0.00 178.31 177.40 3g45 h ILE 389 N 0.34 1.33 -0.43 1.41 2.04 -0.85 -1.01 117.51 120.34 3g45 h ILE 389 Ca 0.06 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.41 3g45 h ILE 389 Cb 0.68 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 3g45 h ILE 389 CO 0.05 0.49 0.15 0.74 0.00 0.00 0.00 178.15 179.57 3g45 h THR 390 N 0.27 0.86 0.18 -0.27 2.02 -1.25 0.33 112.91 115.05 3g45 h THR 390 Ca 0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3g45 h THR 390 Cb 0.94 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3g45 h THR 390 CO 0.08 0.06 -0.09 0.22 0.37 0.00 0.00 175.52 176.16 3g45 h TYR 391 N 0.32 -0.22 -0.79 3.16 3.20 -1.18 -2.19 116.97 119.26 3g45 h TYR 391 Ca 0.20 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.14 3g45 h TYR 391 Cb 0.19 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3g45 h TYR 391 CO -0.16 -0.00 0.52 0.52 -1.64 0.00 0.00 178.16 177.40 3g45 h MET 392 N -0.41 0.80 -0.41 1.82 2.86 -0.69 0.12 114.93 119.02 3g45 h MET 392 Ca -0.02 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3g45 h MET 392 Cb 0.32 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3g45 h MET 392 CO 0.04 0.53 -0.02 0.52 1.06 0.00 0.00 176.91 179.04 3g45 h MET 393 N 0.83 0.74 -0.46 1.72 2.86 -0.29 -0.36 114.93 119.97 3g45 h MET 393 Ca 0.35 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3g45 h MET 393 Cb 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3g45 h MET 393 CO -0.13 0.83 0.23 1.15 1.06 0.00 0.00 176.91 180.06 3g45 h THR 394 N 0.57 1.18 -0.30 2.22 2.02 -0.74 0.12 112.91 117.98 3g45 h THR 394 Ca 0.11 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.82 3g45 h THR 394 Cb 0.52 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3g45 h THR 394 CO 0.03 0.19 0.19 0.25 0.37 0.00 0.00 175.52 176.54 3g45 h LEU 395 N 0.60 0.32 -1.35 2.58 5.85 -0.72 -2.64 115.31 119.95 3g45 h LEU 395 Ca 0.16 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3g45 h LEU 395 Cb 0.09 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3g45 h LEU 395 CO -0.02 0.23 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.18 3g45 h GLU 396 N 0.38 0.38 0.00 1.25 4.81 -0.79 -2.21 114.58 118.40 3g45 h GLU 396 Ca 0.11 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3g45 h GLU 396 Cb -0.03 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3g45 h GLU 396 CO -0.04 0.45 0.00 0.22 -0.73 0.00 0.00 179.01 178.91 3g45 h ASP 397 N 0.37 0.00 0.12 1.04 3.58 -0.64 -2.88 116.42 118.01 3g45 h ASP 397 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3g45 h ASP 397 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3g45 h ASP 397 CO 0.01 0.00 -0.46 1.41 -2.88 0.00 0.00 179.24 177.33 3g45 n HIS 398 N -2.74 0.00 -2.54 0.28 8.25 -0.84 -4.76 115.22 112.88 3g45 n HIS 398 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 3g45 n HIS 398 Cb 0.34 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 3g45 n HIS 398 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3g45 s TYR 399 N -2.59 3.62 -0.24 4.41 1.51 -1.09 -2.17 117.35 120.80 3g45 s TYR 399 Ca 0.19 1.61 -0.29 0.00 -1.01 0.00 0.00 57.07 57.57 3g45 s TYR 399 Cb 0.18 -3.25 0.01 0.00 -0.11 0.00 0.00 41.96 38.79 3g45 s TYR 399 CO 0.60 -0.52 1.03 -1.01 -1.11 0.00 0.00 175.55 174.53 3g45 s HIS 400 N -0.14 3.32 -0.14 2.71 3.76 -1.26 -4.80 115.29 118.73 3g45 s HIS 400 Ca 0.49 1.42 0.29 0.00 -0.15 0.00 0.00 55.06 57.12 3g45 s HIS 400 Cb -0.29 -3.29 1.26 0.00 1.11 0.00 0.00 32.58 31.38 3g45 s HIS 400 CO 0.34 -0.50 1.86 0.77 -0.85 0.00 0.00 174.74 176.36 3g45 h SER 401 N 7.52 0.00 -0.45 1.40 0.02 -1.93 -2.99 113.55 117.12 3g45 h SER 401 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3g45 h SER 401 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3g45 h SER 401 CO 0.98 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.77 3g45 n ASP 402 N -2.63 2.77 -4.46 3.07 5.75 -1.26 -4.77 116.55 115.01 3g45 n ASP 402 Ca 0.01 -2.10 -0.35 0.00 -0.01 0.00 0.00 54.79 52.34 3g45 n ASP 402 Cb 0.23 -0.37 -0.12 0.00 -1.03 0.00 0.00 41.12 39.83 3g45 n ASP 402 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g45 s VAL 403 N -1.50 4.04 0.14 2.12 1.01 -1.13 -5.04 120.40 120.06 3g45 s VAL 403 Ca 0.32 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 3g45 s VAL 403 Cb 0.18 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3g45 s VAL 403 CO 0.20 0.43 1.58 0.00 0.00 0.00 0.00 175.10 177.30 3g45 h ALA 404 N 7.43 0.64 0.00 5.51 0.00 -1.86 -3.39 119.26 127.59 3g45 h ALA 404 Ca -0.36 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.02 3g45 h ALA 404 Cb 1.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3g45 h ALA 404 CO 0.62 0.48 -1.64 0.98 0.00 0.00 0.00 179.25 179.68 3g45 n TYR 405 N -4.30 0.00 -1.45 0.00 9.36 -1.26 -4.78 117.16 114.72 3g45 n TYR 405 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 3g45 n TYR 405 Cb 0.34 -0.57 -0.02 0.00 -0.63 0.00 0.00 39.34 38.46 3g45 n TYR 405 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3g45 n HIS 406 N -3.92 2.56 -4.32 2.98 8.25 -1.26 -4.22 115.22 115.29 3g45 n HIS 406 Ca -0.29 -3.05 -0.14 0.00 -0.26 0.00 0.00 57.72 53.99 3g45 n HIS 406 Cb 0.64 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.31 3g45 n HIS 406 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g45 n ASN 407 N 3.61 2.55 0.31 0.41 0.23 -1.26 -4.55 115.26 116.57 3g45 n ASN 407 Ca 0.74 -1.94 0.21 0.00 -0.53 0.00 0.00 54.58 53.05 3g45 n ASN 407 Cb 0.25 0.16 1.01 0.00 -2.08 0.00 0.00 39.78 39.12 3g45 n ASN 407 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3g45 h SER 408 N 0.52 0.00 -0.30 0.53 4.64 -1.87 -1.94 113.55 115.14 3g45 h SER 408 Ca -0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 3g45 h SER 408 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3g45 h SER 408 CO 0.29 0.00 0.08 0.25 -0.87 0.00 0.00 176.83 176.58 3g45 h LEU 409 N 0.00 0.45 -0.43 5.97 5.85 -1.96 0.26 115.31 125.45 3g45 h LEU 409 Ca 0.00 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 3g45 h LEU 409 Cb 0.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3g45 h LEU 409 CO 0.00 0.56 -0.18 -0.74 -0.34 0.00 0.00 178.44 177.74 3g45 h HIS 410 N 0.31 1.01 -0.76 1.25 2.76 -1.53 -0.50 115.15 117.69 3g45 h HIS 410 Ca 0.09 -0.24 0.01 0.00 -2.20 0.00 0.00 60.37 58.03 3g45 h HIS 410 Cb 0.28 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 3g45 h HIS 410 CO 0.01 1.02 0.50 0.00 -1.30 0.00 0.00 177.93 178.16 3g45 h ALA 411 N 0.84 0.97 -0.32 5.26 0.00 -1.44 0.01 119.26 124.58 3g45 h ALA 411 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3g45 h ALA 411 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3g45 h ALA 411 CO 0.06 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3g45 h ALA 412 N 1.29 0.43 0.04 0.00 0.00 -0.79 0.51 119.26 120.74 3g45 h ALA 412 Ca 0.28 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3g45 h ALA 412 Cb -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3g45 h ALA 412 CO -0.07 0.18 -0.15 0.22 0.00 0.00 0.00 179.25 179.42 3g45 h ASP 413 N 0.36 -0.44 -0.79 0.00 3.58 -0.83 0.10 116.42 118.40 3g45 h ASP 413 Ca 0.09 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 3g45 h ASP 413 Cb 0.44 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 3g45 h ASP 413 CO 0.02 -0.22 0.33 0.58 -2.88 0.00 0.00 179.24 177.07 3g45 h VAL 414 N -0.28 1.26 -0.17 2.25 2.07 -0.92 -0.94 116.25 119.52 3g45 h VAL 414 Ca 0.04 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3g45 h VAL 414 Cb 0.32 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3g45 h VAL 414 CO -0.12 0.33 0.05 0.00 0.02 0.00 0.00 177.57 177.85 3g45 h ALA 415 N 1.17 0.18 -0.37 1.67 0.00 -0.66 -1.34 119.26 119.91 3g45 h ALA 415 Ca 0.27 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3g45 h ALA 415 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3g45 h ALA 415 CO -0.02 -0.39 -0.11 0.37 0.00 0.00 0.00 179.25 179.10 3g45 h GLN 416 N 0.13 0.65 -0.23 0.00 -0.00 -0.73 -1.73 115.11 113.20 3g45 h GLN 416 Ca 0.07 -0.20 -0.14 0.00 -0.00 0.00 0.00 58.65 58.38 3g45 h GLN 416 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.47 3g45 h GLN 416 CO -0.08 0.75 -0.41 0.77 0.00 0.00 0.00 178.83 179.85 3g45 h SER 417 N 0.59 0.76 -0.88 -0.69 0.02 -1.09 -0.90 113.55 111.36 3g45 h SER 417 Ca 0.11 -0.54 0.11 0.00 -0.84 0.00 0.00 61.79 60.63 3g45 h SER 417 Cb 0.54 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 3g45 h SER 417 CO 0.03 1.15 0.52 0.74 -1.14 0.00 0.00 176.83 178.13 3g45 h THR 418 N 0.39 0.90 -0.55 -2.27 2.02 -1.12 0.29 112.91 112.57 3g45 h THR 418 Ca 0.01 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 3g45 h THR 418 Cb 1.01 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3g45 h THR 418 CO 0.09 0.15 0.19 -0.74 0.37 0.00 0.00 175.52 175.59 3g45 h HIS 419 N 0.85 0.87 -0.05 3.16 -0.00 -0.96 0.38 115.15 119.40 3g45 h HIS 419 Ca 0.43 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 3g45 h HIS 419 Cb 0.42 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3g45 h HIS 419 CO -0.04 0.73 -0.01 0.28 -0.00 0.00 0.00 177.93 178.89 3g45 h VAL 420 N 0.76 1.27 -0.22 5.26 2.07 -0.50 -3.21 116.25 121.68 3g45 h VAL 420 Ca 0.18 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3g45 h VAL 420 Cb 0.25 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3g45 h VAL 420 CO -0.01 0.23 0.15 -0.07 0.02 0.00 0.00 177.57 177.89 3g45 h LEU 421 N -0.23 0.13 -1.43 2.57 3.38 -0.21 -1.38 115.31 118.14 3g45 h LEU 421 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g45 h LEU 421 Cb 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3g45 h LEU 421 CO 0.00 0.09 0.00 -0.07 0.09 0.00 0.00 178.44 178.55 3g45 h LEU 422 N 0.15 0.00 -1.91 1.67 3.38 -0.93 -2.55 115.31 115.13 3g45 h LEU 422 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g45 h LEU 422 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3g45 h LEU 422 CO -0.01 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.32 3g45 n SER 423 N -2.66 2.82 -4.68 -0.43 7.64 -0.52 -4.11 113.62 111.68 3g45 n SER 423 Ca 0.00 -1.92 -0.51 0.00 1.01 0.00 0.00 58.87 57.45 3g45 n SER 423 Cb 0.20 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 3g45 n SER 423 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3g45 n THR 424 N 1.06 0.38 -0.36 0.44 5.66 -0.96 -4.69 114.28 115.81 3g45 n THR 424 Ca 0.18 -0.07 0.27 0.00 -3.05 0.00 0.00 64.05 61.38 3g45 n THR 424 Cb 0.49 -1.57 0.54 0.00 -1.55 0.00 0.00 70.33 68.24 3g45 n THR 424 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3g45 h PRO 425 N 7.86 0.29 0.00 1.09 0.11 -1.91 0.22 132.00 139.66 3g45 h PRO 425 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3g45 h PRO 425 Cb 1.29 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3g45 h PRO 425 CO 0.93 0.19 -0.08 0.00 -0.21 0.00 0.00 178.00 178.83 3g45 h ALA 426 N 1.64 1.02 0.00 -0.75 0.00 -1.83 -3.23 119.26 116.11 3g45 h ALA 426 Ca 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3g45 h ALA 426 Cb 1.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3g45 h ALA 426 CO -0.37 0.10 -1.13 1.28 0.00 0.00 0.00 179.25 179.12 3g45 n LEU 427 N -3.21 0.09 0.26 0.00 4.77 0.06 -1.30 117.00 117.68 3g45 n LEU 427 Ca 0.00 -0.12 0.11 0.00 -0.03 0.00 0.00 56.01 55.97 3g45 n LEU 427 Cb 0.35 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.16 3g45 n LEU 427 CO 0.30 0.02 1.02 -0.78 -1.33 0.00 0.00 177.39 176.62 3g45 h ASP 428 N 0.00 0.00 0.39 -1.43 3.58 -0.68 0.61 116.42 118.88 3g45 h ASP 428 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3g45 h ASP 428 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3g45 h ASP 428 CO 0.00 0.08 -0.93 0.00 -2.88 0.00 0.00 179.24 175.51 3g45 n ALA 429 N -2.39 3.61 -0.10 -0.78 0.00 -1.26 -4.56 120.51 115.03 3g45 n ALA 429 Ca -0.03 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 3g45 n ALA 429 Cb 0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 3g45 n ALA 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g45 h VAL 430 N 0.00 1.28 -2.81 0.00 2.07 -1.19 -3.46 116.25 112.15 3g45 h VAL 430 Ca 0.00 -1.63 -0.64 0.00 0.82 0.00 0.00 66.70 65.25 3g45 h VAL 430 Cb 0.66 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 3g45 h VAL 430 CO 0.00 0.53 -0.38 -0.36 0.02 0.00 0.00 177.57 177.39 3g45 s PHE 431 N -4.25 3.64 0.90 1.57 0.08 -1.24 -5.07 117.98 113.60 3g45 s PHE 431 Ca -0.11 0.68 -0.12 0.00 0.12 0.00 0.00 56.93 57.50 3g45 s PHE 431 Cb 0.10 -2.06 0.13 0.00 -0.57 0.00 0.00 43.02 40.63 3g45 s PHE 431 CO 0.88 0.69 1.13 0.95 -0.10 0.00 0.00 175.22 178.76 3g45 s THR 432 N -1.10 2.18 0.29 0.64 -4.23 -1.26 -4.85 115.64 107.31 3g45 s THR 432 Ca 0.20 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 3g45 s THR 432 Cb -0.14 -2.78 0.11 0.00 1.34 0.00 0.00 72.50 71.04 3g45 s THR 432 CO 0.09 -0.08 1.78 0.44 -0.54 0.00 0.00 174.62 176.31 3g45 h ASP 433 N -1.47 0.61 -0.85 3.99 3.32 -1.98 -1.06 116.42 118.98 3g45 h ASP 433 Ca -0.50 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.38 3g45 h ASP 433 Cb 1.32 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 3g45 h ASP 433 CO 0.61 0.73 0.47 0.25 -1.72 0.00 0.00 179.24 179.58 3g45 h LEU 434 N 0.59 1.06 -0.66 1.55 5.85 -1.99 0.12 115.31 121.83 3g45 h LEU 434 Ca 0.11 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3g45 h LEU 434 Cb 0.48 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3g45 h LEU 434 CO 0.03 0.85 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.55 3g45 h GLU 435 N 1.19 0.94 -0.35 1.25 5.08 -1.86 -1.35 114.58 119.47 3g45 h GLU 435 Ca 0.30 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3g45 h GLU 435 Cb 0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3g45 h GLU 435 CO -0.05 0.99 0.10 0.82 -1.00 0.00 0.00 179.01 179.87 3g45 h ILE 436 N 0.84 1.21 -0.29 3.13 2.04 -0.48 -2.18 117.51 121.79 3g45 h ILE 436 Ca 0.14 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3g45 h ILE 436 Cb 0.64 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3g45 h ILE 436 CO 0.04 0.24 0.19 0.25 0.00 0.00 0.00 178.15 178.87 3g45 h LEU 437 N 0.41 0.34 -0.06 1.44 5.85 -0.66 -1.73 115.31 120.91 3g45 h LEU 437 Ca 0.11 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3g45 h LEU 437 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3g45 h LEU 437 CO -0.00 0.26 -0.05 0.00 -0.34 0.00 0.00 178.44 178.31 3g45 h ALA 438 N 1.09 0.00 -0.65 1.25 0.00 -1.20 -0.15 119.26 119.60 3g45 h ALA 438 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g45 h ALA 438 Cb -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3g45 h ALA 438 CO -0.02 -0.52 0.39 0.00 0.00 0.00 0.00 179.25 179.10 3g45 h ALA 439 N 0.99 0.83 -0.10 0.00 0.00 -1.19 0.41 119.26 120.20 3g45 h ALA 439 Ca 0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3g45 h ALA 439 Cb 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g45 h ALA 439 CO -0.09 0.30 -0.55 0.82 0.00 0.00 0.00 179.25 179.73 3g45 h ILE 440 N 0.88 1.36 -0.43 0.00 2.04 -1.15 -1.54 117.51 118.67 3g45 h ILE 440 Ca 0.23 -1.87 0.01 0.00 1.00 0.00 0.00 64.86 64.23 3g45 h ILE 440 Cb -0.03 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3g45 h ILE 440 CO -0.04 0.56 0.28 0.15 0.00 0.00 0.00 178.15 179.10 3g45 h PHE 441 N 0.15 0.54 -0.47 1.37 3.57 -0.97 -0.29 116.94 120.84 3g45 h PHE 441 Ca -0.04 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.57 3g45 h PHE 441 Cb 1.20 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.66 3g45 h PHE 441 CO 0.11 0.34 -0.22 0.00 -2.23 0.00 0.00 178.31 176.30 3g45 h ALA 442 N 1.16 0.11 -0.56 2.41 0.00 -0.12 -1.20 119.26 121.06 3g45 h ALA 442 Ca 0.16 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3g45 h ALA 442 Cb -0.06 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3g45 h ALA 442 CO -0.04 -0.57 0.27 0.00 0.00 0.00 0.00 179.25 178.91 3g45 h ALA 443 N 1.18 0.72 -0.73 0.00 0.00 -0.91 -0.95 119.26 118.57 3g45 h ALA 443 Ca 0.22 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.14 3g45 h ALA 443 Cb 0.47 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3g45 h ALA 443 CO -0.55 0.28 0.28 0.00 0.00 0.00 0.00 179.25 179.26 3g45 h ALA 444 N 1.11 1.01 -0.03 0.00 0.00 -0.24 -2.80 119.26 118.32 3g45 h ALA 444 Ca 0.19 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3g45 h ALA 444 Cb 0.11 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3g45 h ALA 444 CO -0.02 -0.22 -0.00 0.44 0.00 0.00 0.00 179.25 179.45 3g45 n ILE 445 N -5.01 0.00 0.26 0.00 -5.35 -0.53 -4.67 119.36 104.06 3g45 n ILE 445 Ca 0.13 -0.45 0.12 0.00 -0.27 0.00 0.00 62.75 62.28 3g45 n ILE 445 Cb 0.40 1.30 0.75 0.00 -1.74 0.00 0.00 39.64 40.35 3g45 n ILE 445 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3g45 h HIS 446 N 4.23 0.00 0.00 4.28 2.07 -0.90 -2.21 115.15 122.61 3g45 h HIS 446 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 3g45 h HIS 446 Cb 0.90 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.84 3g45 h HIS 446 CO 0.00 0.00 -0.37 -0.25 -3.07 0.00 0.00 177.93 174.24 3g45 n ASP 447 N -4.24 1.75 -4.76 3.10 8.00 -1.26 -4.85 116.55 114.29 3g45 n ASP 447 Ca -0.02 -3.31 -0.41 0.00 0.71 0.00 0.00 54.79 51.76 3g45 n ASP 447 Cb 0.12 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 3g45 n ASP 447 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g45 s VAL 448 N -2.59 2.44 -1.22 2.53 0.11 -0.83 -1.85 120.40 118.99 3g45 s VAL 448 Ca 0.33 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 3g45 s VAL 448 Cb 0.31 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 3g45 s VAL 448 CO -0.04 0.08 0.00 -0.67 -3.33 0.00 0.00 175.10 171.14 3g45 n ASP 449 N 1.42 -4.27 -4.71 3.54 2.03 -0.92 -4.28 116.55 109.37 3g45 n ASP 449 Ca 0.04 0.13 -0.42 0.00 0.52 0.00 0.00 54.79 55.05 3g45 n ASP 449 Cb 0.40 -3.23 -0.03 0.00 -0.72 0.00 0.00 41.12 37.54 3g45 n ASP 449 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3g45 s HIS 450 N -2.58 3.03 -2.24 -0.67 2.46 -0.77 -4.91 115.29 109.61 3g45 s HIS 450 Ca 0.00 0.70 0.26 0.00 0.47 0.00 0.00 55.06 56.49 3g45 s HIS 450 Cb 0.00 -3.84 1.23 0.00 -0.13 0.00 0.00 32.58 29.84 3g45 s HIS 450 CO 0.00 -3.10 1.83 -0.35 -2.47 0.00 0.00 174.74 170.66 3g45 n PRO 451 N 4.25 1.39 -0.74 2.88 -0.04 -1.26 -4.51 135.00 136.96 3g45 n PRO 451 Ca 0.13 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 3g45 n PRO 451 Cb 0.40 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3g45 n PRO 451 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g45 n GLY 452 N 1.06 0.61 3.34 0.55 0.00 -1.26 -4.98 105.19 104.51 3g45 n GLY 452 Ca 0.19 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3g45 n GLY 452 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g45 s VAL 453 N -2.00 1.72 0.52 1.61 -7.23 -1.26 -4.67 120.40 109.09 3g45 s VAL 453 Ca 0.00 -2.19 -0.10 0.00 -1.81 0.00 0.00 61.98 57.88 3g45 s VAL 453 Cb 0.00 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 3g45 s VAL 453 CO 0.00 -0.58 0.90 -0.94 -0.31 0.00 0.00 175.10 174.17 3g45 s SER 454 N -3.26 6.38 0.32 4.85 1.04 -1.26 -4.93 113.70 116.83 3g45 s SER 454 Ca 0.22 1.26 0.07 0.00 0.48 0.00 0.00 55.95 57.98 3g45 s SER 454 Cb -0.01 -2.39 0.78 0.00 0.10 0.00 0.00 66.02 64.51 3g45 s SER 454 CO 0.07 -0.64 1.78 0.78 0.98 0.00 0.00 173.24 176.21 3g45 h ASN 455 N 0.40 0.74 -0.12 7.02 2.35 -2.00 -1.83 115.58 122.15 3g45 h ASN 455 Ca -0.46 0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.21 3g45 h ASN 455 Cb 1.19 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 3g45 h ASN 455 CO 0.62 0.26 -0.52 -0.61 -1.65 0.00 0.00 177.43 175.53 3g45 h GLN 456 N 0.72 0.70 -0.53 0.81 5.75 -1.94 -2.27 115.11 118.35 3g45 h GLN 456 Ca 0.57 -0.43 0.06 0.00 -0.15 0.00 0.00 58.65 58.70 3g45 h GLN 456 Cb 0.94 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.48 3g45 h GLN 456 CO -0.36 1.05 0.25 0.35 -2.65 0.00 0.00 178.83 177.46 3g45 h PHE 457 N 0.54 0.45 -0.77 3.99 3.04 -1.73 -0.04 116.94 122.42 3g45 h PHE 457 Ca 0.02 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 3g45 h PHE 457 Cb 1.09 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.44 3g45 h PHE 457 CO 0.06 0.19 0.38 -0.07 -2.02 0.00 0.00 178.31 176.85 3g45 h LEU 458 N 0.47 0.98 0.33 0.59 3.38 -1.21 0.18 115.31 120.04 3g45 h LEU 458 Ca 0.25 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3g45 h LEU 458 Cb 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3g45 h LEU 458 CO -0.20 0.82 -0.16 0.40 0.09 0.00 0.00 178.44 179.39 3g45 h ILE 459 N 1.08 0.63 -0.50 1.22 2.04 -1.16 0.38 117.51 121.21 3g45 h ILE 459 Ca 0.27 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 65.66 3g45 h ILE 459 Cb 0.08 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3g45 h ILE 459 CO -0.04 0.11 0.35 0.78 0.00 0.00 0.00 178.15 179.35 3g45 h ASN 460 N -0.80 0.10 -0.62 1.72 2.35 -0.71 -1.51 115.58 116.11 3g45 h ASN 460 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3g45 h ASN 460 Cb 0.52 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3g45 h ASN 460 CO 0.08 0.05 0.00 0.35 -1.65 0.00 0.00 177.43 176.26 3g45 n THR 461 N -4.42 1.19 -3.87 2.81 -2.24 0.62 -4.93 114.28 103.44 3g45 n THR 461 Ca 0.09 -0.94 -0.26 0.00 -2.27 0.00 0.00 64.05 60.67 3g45 n THR 461 Cb 0.50 0.28 0.01 0.00 -2.10 0.00 0.00 70.33 69.02 3g45 n THR 461 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g45 n ASN 462 N 1.21 -2.15 -4.66 3.42 3.02 -0.57 -4.90 115.26 110.63 3g45 n ASN 462 Ca 0.22 -0.87 -0.37 0.00 -0.03 0.00 0.00 54.58 53.53 3g45 n ASN 462 Cb 0.66 -3.63 0.07 0.00 -0.61 0.00 0.00 39.78 36.27 3g45 n ASN 462 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3g45 n SER 463 N -2.94 1.22 0.26 6.41 2.88 0.11 -4.86 113.62 116.70 3g45 n SER 463 Ca -0.17 0.76 0.09 0.00 -1.33 0.00 0.00 58.87 58.22 3g45 n SER 463 Cb 0.62 -1.47 0.67 0.00 -0.75 0.00 0.00 64.21 63.28 3g45 n SER 463 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3g45 h GLU 464 N 0.20 0.00 -0.05 -1.46 4.39 -1.90 -1.05 114.58 114.70 3g45 h GLU 464 Ca -0.49 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.07 3g45 h GLU 464 Cb 1.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.00 3g45 h GLU 464 CO 0.50 0.05 -0.52 1.25 -1.16 0.00 0.00 179.01 179.13 3g45 h LEU 465 N 0.00 0.54 -1.33 1.33 5.85 -1.92 0.12 115.31 119.90 3g45 h LEU 465 Ca -0.00 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 57.99 3g45 h LEU 465 Cb 0.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3g45 h LEU 465 CO 0.01 1.16 0.09 0.00 -0.34 0.00 0.00 178.44 179.35 3g45 h ALA 466 N 0.40 1.46 -0.32 1.25 0.00 -1.72 -1.47 119.26 118.86 3g45 h ALA 466 Ca -0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3g45 h ALA 466 Cb 1.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3g45 h ALA 466 CO 0.10 0.40 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 3g45 h LEU 467 N 0.53 0.57 -0.75 0.00 6.46 -1.01 0.21 115.31 121.32 3g45 h LEU 467 Ca 0.12 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 3g45 h LEU 467 Cb 0.21 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3g45 h LEU 467 CO -0.00 0.76 0.34 -0.03 -0.62 0.00 0.00 178.44 178.88 3g45 h MET 468 N 0.36 1.10 -0.33 1.25 4.05 -0.40 -3.21 114.93 117.75 3g45 h MET 468 Ca 0.09 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3g45 h MET 468 Cb 0.48 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 3g45 h MET 468 CO 0.02 0.87 0.00 0.66 0.23 0.00 0.00 176.91 178.69 3g45 n TYR 469 N -4.37 0.43 -3.24 1.39 4.01 -0.59 -5.00 117.16 109.80 3g45 n TYR 469 Ca 0.06 -0.32 -0.18 0.00 -0.16 0.00 0.00 57.90 57.30 3g45 n TYR 469 Cb 0.15 -0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.23 3g45 n TYR 469 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3g45 n ASN 470 N 0.95 -5.31 0.00 7.72 3.02 0.70 -3.18 115.26 119.16 3g45 n ASN 470 Ca 0.14 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 3g45 n ASN 470 Cb 0.47 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3g45 n ASN 470 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g45 n ASP 471 N -1.86 -1.80 -4.11 6.41 8.00 -0.92 -4.98 116.55 117.29 3g45 n ASP 471 Ca -0.01 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.16 3g45 n ASP 471 Cb 0.56 -1.91 -0.16 0.00 -0.02 0.00 0.00 41.12 39.58 3g45 n ASP 471 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3g45 s GLU 472 N -0.88 2.90 -1.33 -1.24 2.02 -1.19 -4.69 118.70 114.30 3g45 s GLU 472 Ca 0.00 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.12 3g45 s GLU 472 Cb 0.00 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.71 3g45 s GLU 472 CO 0.00 -0.22 0.53 0.43 0.02 0.00 0.00 175.26 176.02 3g45 n SER 473 N 4.64 -1.77 0.47 -0.19 7.64 -1.26 -4.90 113.62 118.24 3g45 n SER 473 Ca -0.20 -1.02 -0.20 0.00 1.01 0.00 0.00 58.87 58.45 3g45 n SER 473 Cb 0.50 -3.08 -0.10 0.00 -1.01 0.00 0.00 64.21 60.52 3g45 n SER 473 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g45 h VAL 474 N -1.89 0.03 -0.41 0.44 2.07 -1.89 -1.70 116.25 112.90 3g45 h VAL 474 Ca -0.64 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3g45 h VAL 474 Cb 1.37 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3g45 h VAL 474 CO 0.58 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 178.29 3g45 h LEU 475 N -1.24 0.54 -0.60 2.57 3.38 -1.94 -2.44 115.31 115.57 3g45 h LEU 475 Ca -0.12 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3g45 h LEU 475 Cb 0.98 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3g45 h LEU 475 CO 0.15 0.52 0.16 -0.33 0.09 0.00 0.00 178.44 179.04 3g45 h GLU 476 N 0.52 0.96 -0.61 1.13 3.07 -1.88 0.47 114.58 118.24 3g45 h GLU 476 Ca 0.14 -0.22 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 3g45 h GLU 476 Cb 0.13 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3g45 h GLU 476 CO -0.02 0.87 0.34 -0.91 -1.40 0.00 0.00 179.01 177.89 3g45 h ASN 477 N 0.87 0.51 -0.15 1.42 2.35 -1.33 -1.87 115.58 117.38 3g45 h ASN 477 Ca 0.19 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3g45 h ASN 477 Cb 0.33 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3g45 h ASN 477 CO -0.00 0.34 0.06 -0.74 -1.65 0.00 0.00 177.43 175.43 3g45 h HIS 478 N 0.64 0.23 -0.69 1.19 2.76 -0.36 -0.92 115.15 118.00 3g45 h HIS 478 Ca 0.27 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.55 3g45 h HIS 478 Cb 0.14 -0.07 -0.09 0.00 1.55 0.00 0.00 27.41 28.94 3g45 h HIS 478 CO -0.08 0.31 0.20 0.45 -1.30 0.00 0.00 177.93 177.51 3g45 h HIS 479 N 0.08 0.33 -0.43 5.26 3.86 -0.12 -1.24 115.15 122.89 3g45 h HIS 479 Ca 0.05 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 3g45 h HIS 479 Cb 0.18 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3g45 h HIS 479 CO -0.01 -0.01 0.01 -0.07 0.86 0.00 0.00 177.93 178.71 3g45 h LEU 480 N 0.33 0.74 0.18 2.43 3.38 -0.92 -1.70 115.31 119.75 3g45 h LEU 480 Ca 0.37 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3g45 h LEU 480 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3g45 h LEU 480 CO -0.42 0.86 -0.17 0.00 0.09 0.00 0.00 178.44 178.80 3g45 h ALA 481 N 0.90 -0.35 0.25 1.53 0.00 -0.52 -2.40 119.26 118.67 3g45 h ALA 481 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g45 h ALA 481 Cb 0.48 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3g45 h ALA 481 CO 0.02 -0.72 -0.25 0.28 0.00 0.00 0.00 179.25 178.58 3g45 h VAL 482 N -0.38 0.46 -0.95 0.00 2.07 -1.23 0.24 116.25 116.45 3g45 h VAL 482 Ca -0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 3g45 h VAL 482 Cb 0.35 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 3g45 h VAL 482 CO -0.03 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.40 3g45 h GLY 483 N -0.53 1.23 0.98 2.17 0.00 -1.18 -1.66 103.07 104.07 3g45 h GLY 483 Ca -0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 47.33 46.74 3g45 h GLY 483 CO -0.06 -0.02 -1.72 0.74 0.00 0.00 0.00 176.54 175.48 3g45 h PHE 484 N 0.55 0.48 -0.20 5.60 0.04 -1.16 -3.31 116.94 118.94 3g45 h PHE 484 Ca 0.52 -0.35 0.06 0.00 2.80 0.00 0.00 57.97 60.99 3g45 h PHE 484 Cb 1.07 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 3g45 h PHE 484 CO -0.00 1.51 0.19 -0.22 -0.60 0.00 0.00 178.31 179.19 3g45 h LYS 485 N 0.07 0.00 0.00 1.51 1.63 0.19 -2.60 116.57 117.37 3g45 h LYS 485 Ca -0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 3g45 h LYS 485 Cb 2.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.67 3g45 h LYS 485 CO 0.14 0.00 -0.19 -0.07 -3.45 0.00 0.00 179.45 175.88 3g45 h LEU 486 N 0.00 0.00 -2.38 5.20 3.38 -1.42 -2.82 115.31 117.28 3g45 h LEU 486 Ca 0.10 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3g45 h LEU 486 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3g45 h LEU 486 CO -0.00 0.00 0.15 -0.07 0.09 0.00 0.00 178.44 178.62 3g45 h LEU 487 N 0.00 0.00 0.00 1.67 3.38 -1.60 -2.78 115.31 115.97 3g45 h LEU 487 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g45 h LEU 487 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3g45 h LEU 487 CO 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.30 3g45 n GLN 488 N -3.55 0.15 -0.46 1.13 6.02 -1.06 -2.70 117.38 116.91 3g45 n GLN 488 Ca -0.00 0.09 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 3g45 n GLN 488 Cb 0.25 -1.64 0.27 0.00 1.02 0.00 0.00 30.24 30.14 3g45 n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3g45 s GLU 489 N -3.07 -1.43 -0.06 -1.09 0.41 -1.05 -4.91 118.70 107.50 3g45 s GLU 489 Ca 0.11 0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 55.11 3g45 s GLU 489 Cb 0.15 -1.50 -0.05 0.00 -1.78 0.00 0.00 34.13 30.95 3g45 s GLU 489 CO 0.62 -4.04 1.61 -2.00 -0.49 0.00 0.00 175.26 170.96 3g45 s GLU 490 N -4.48 4.19 -1.37 1.61 2.12 -1.26 -2.91 118.70 116.60 3g45 s GLU 490 Ca 0.69 2.13 -0.02 0.00 0.36 0.00 0.00 54.97 58.14 3g45 s GLU 490 Cb -0.24 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.20 3g45 s GLU 490 CO 0.65 -0.83 0.22 0.72 -0.54 0.00 0.00 175.26 175.48 3g45 n HIS 491 N 7.03 -1.15 0.33 5.30 8.25 -1.26 -4.93 115.22 128.78 3g45 n HIS 491 Ca 0.17 0.18 0.04 0.00 -0.26 0.00 0.00 57.72 57.85 3g45 n HIS 491 Cb 0.43 -3.61 0.02 0.00 1.12 0.00 0.00 29.99 27.95 3g45 n HIS 491 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g45 s ASP 493 N -0.89 6.56 0.12 0.00 2.15 -1.10 -4.59 116.67 118.92 3g45 s ASP 493 Ca 0.08 -1.93 0.18 0.00 0.43 0.00 0.00 52.55 51.31 3g45 s ASP 493 Cb 0.06 -2.58 0.77 0.00 -0.30 0.00 0.00 42.92 40.88 3g45 s ASP 493 CO 0.14 -1.46 1.57 2.30 -0.17 0.00 0.00 175.17 177.55 3g45 n ILE 494 N 6.72 0.95 -0.65 4.11 -5.35 -1.26 -2.20 119.36 121.68 3g45 n ILE 494 Ca 0.42 0.25 0.08 0.00 -0.27 0.00 0.00 62.75 63.23 3g45 n ILE 494 Cb 0.48 -1.09 0.25 0.00 -1.74 0.00 0.00 39.64 37.54 3g45 n ILE 494 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3g45 n PHE 495 N -1.83 0.95 -0.28 4.28 3.72 -1.26 -4.63 117.46 118.41 3g45 n PHE 495 Ca 0.03 -0.69 0.11 0.00 -0.05 0.00 0.00 57.45 56.85 3g45 n PHE 495 Cb 0.19 -0.22 0.36 0.00 -0.94 0.00 0.00 39.48 38.88 3g45 n PHE 495 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3g45 h MET 496 N 2.45 0.70 -0.17 -1.08 1.85 -1.81 -2.61 114.93 114.27 3g45 h MET 496 Ca 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3g45 h MET 496 Cb 1.24 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 33.11 3g45 h MET 496 CO 0.16 0.47 0.00 0.09 -0.40 0.00 0.00 176.91 177.23 3g45 n ASN 497 N -4.57 2.37 -4.81 1.39 3.02 -1.26 -4.90 115.26 106.51 3g45 n ASN 497 Ca 0.18 -1.80 -0.34 0.00 -0.03 0.00 0.00 54.58 52.59 3g45 n ASN 497 Cb 0.46 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.46 3g45 n ASN 497 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g45 s LEU 498 N -1.72 4.02 0.85 3.41 1.43 -0.98 -4.95 118.68 120.73 3g45 s LEU 498 Ca 0.34 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 3g45 s LEU 498 Cb 0.20 -4.43 0.10 0.00 0.03 0.00 0.00 46.19 42.09 3g45 s LEU 498 CO 0.30 -0.33 1.11 0.42 0.23 0.00 0.00 176.35 178.07 3g45 s THR 499 N -2.04 2.81 0.19 5.49 -4.23 -1.26 -4.71 115.64 111.89 3g45 s THR 499 Ca 0.60 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 61.22 3g45 s THR 499 Cb -0.12 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.32 3g45 s THR 499 CO 0.16 -0.34 1.63 0.11 -0.54 0.00 0.00 174.62 175.64 3g45 h LYS 500 N -1.47 -0.03 -0.91 3.99 1.57 -1.97 0.19 116.57 117.95 3g45 h LYS 500 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3g45 h LYS 500 Cb 1.25 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 3g45 h LYS 500 CO 0.49 -0.02 0.59 -0.22 -0.57 0.00 0.00 179.45 179.71 3g45 h LYS 501 N -0.03 1.22 -0.18 3.15 1.63 -1.99 0.83 116.57 121.21 3g45 h LYS 501 Ca 0.26 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 3g45 h LYS 501 Cb 0.43 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3g45 h LYS 501 CO -0.58 0.82 0.04 1.96 -3.45 0.00 0.00 179.45 178.25 3g45 h GLN 502 N 1.25 0.28 -1.00 1.90 4.20 -1.51 -1.39 115.11 118.85 3g45 h GLN 502 Ca 0.33 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 59.03 3g45 h GLN 502 Cb -0.11 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.57 3g45 h GLN 502 CO -0.07 0.42 0.64 0.00 -0.67 0.00 0.00 178.83 179.16 3g45 h ARG 503 N 0.09 1.16 -0.49 1.46 3.08 -0.16 -1.03 114.38 118.50 3g45 h ARG 503 Ca 0.05 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3g45 h ARG 503 Cb 0.27 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3g45 h ARG 503 CO 0.00 0.77 -0.09 1.96 -1.07 0.00 0.00 179.97 181.53 3g45 h GLN 504 N 1.19 0.92 -0.16 0.04 4.20 -0.59 -1.52 115.11 119.20 3g45 h GLN 504 Ca 0.42 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3g45 h GLN 504 Cb 0.12 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3g45 h GLN 504 CO -0.16 1.00 -0.14 1.15 -0.67 0.00 0.00 178.83 180.01 3g45 h THR 505 N 0.78 1.34 -0.61 -0.54 2.02 -1.03 -2.61 112.91 112.26 3g45 h THR 505 Ca 0.13 -1.29 0.07 0.00 0.77 0.00 0.00 66.41 66.09 3g45 h THR 505 Cb 0.64 1.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 3g45 h THR 505 CO 0.04 0.38 0.30 0.25 0.37 0.00 0.00 175.52 176.86 3g45 h LEU 506 N 0.02 0.41 -0.58 2.58 6.46 -1.13 -1.34 115.31 121.73 3g45 h LEU 506 Ca 0.03 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3g45 h LEU 506 Cb 0.67 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 3g45 h LEU 506 CO 0.04 0.26 0.22 -0.09 -0.62 0.00 0.00 178.44 178.25 3g45 h ARG 507 N 0.55 0.88 -0.35 1.25 2.43 -1.26 -0.84 114.38 117.04 3g45 h ARG 507 Ca 0.28 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3g45 h ARG 507 Cb 0.23 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3g45 h ARG 507 CO -0.21 0.76 0.20 -0.22 -1.51 0.00 0.00 179.97 179.00 3g45 h LYS 508 N 0.81 0.48 -0.60 0.20 3.64 -1.08 -1.33 116.57 118.69 3g45 h LYS 508 Ca 0.19 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3g45 h LYS 508 Cb 0.22 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3g45 h LYS 508 CO -0.01 0.37 0.01 0.52 -2.27 0.00 0.00 179.45 178.07 3g45 h MET 509 N 0.45 1.05 0.01 1.90 2.86 -1.05 -1.31 114.93 118.84 3g45 h MET 509 Ca 0.12 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3g45 h MET 509 Cb 0.03 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3g45 h MET 509 CO -0.02 1.02 -0.00 0.28 1.06 0.00 0.00 176.91 179.25 3g45 h VAL 510 N 0.94 1.22 -0.22 -2.22 2.07 -1.04 -0.43 116.25 116.57 3g45 h VAL 510 Ca 0.17 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.07 3g45 h VAL 510 Cb 0.54 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 3g45 h VAL 510 CO 0.03 0.17 -0.20 0.40 0.02 0.00 0.00 177.57 178.00 3g45 h ILE 511 N -0.30 0.47 -0.65 4.57 2.04 -1.20 0.16 117.51 122.60 3g45 h ILE 511 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 3g45 h ILE 511 Cb 0.30 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 3g45 h ILE 511 CO 0.00 0.00 0.14 0.44 0.00 0.00 0.00 178.15 178.73 3g45 h ASP 512 N -0.20 -0.00 -0.18 1.72 5.19 -1.13 -0.42 116.42 121.39 3g45 h ASP 512 Ca 0.13 0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.54 3g45 h ASP 512 Cb 0.40 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3g45 h ASP 512 CO -0.35 -0.01 -0.37 0.24 -3.12 0.00 0.00 179.24 175.64 3g45 h MET 513 N 0.26 0.57 -0.28 3.56 2.86 0.01 -2.55 114.93 119.36 3g45 h MET 513 Ca 0.35 -0.37 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 3g45 h MET 513 Cb 0.55 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3g45 h MET 513 CO -0.45 0.98 -0.43 0.28 1.06 0.00 0.00 176.91 178.36 3g45 h VAL 514 N 0.23 1.29 -0.43 -2.22 2.07 -0.48 -2.67 116.25 114.05 3g45 h VAL 514 Ca 0.01 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3g45 h VAL 514 Cb 0.96 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3g45 h VAL 514 CO 0.08 0.52 0.25 -0.07 0.02 0.00 0.00 177.57 178.37 3g45 h LEU 515 N 0.54 0.51 -2.55 2.57 3.38 -1.15 -0.42 115.31 118.19 3g45 h LEU 515 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g45 h LEU 515 Cb 1.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3g45 h LEU 515 CO 0.10 0.40 0.04 0.00 0.09 0.00 0.00 178.44 179.08 3g45 h ALA 516 N 1.69 1.04 -0.00 1.53 0.00 -1.10 -2.53 119.26 119.89 3g45 h ALA 516 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g45 h ALA 516 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g45 h ALA 516 CO -0.03 -0.04 -0.03 0.25 0.00 0.00 0.00 179.25 179.40 3g45 n THR 517 N -2.88 0.00 -1.77 0.00 -2.24 -0.17 -4.76 114.28 102.45 3g45 n THR 517 Ca -0.03 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3g45 n THR 517 Cb 0.10 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 3g45 n THR 517 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g45 s ASP 518 N -2.21 6.39 0.49 3.42 -1.08 -0.95 -4.86 116.67 117.86 3g45 s ASP 518 Ca 0.39 2.42 0.14 0.00 -0.52 0.00 0.00 52.55 54.97 3g45 s ASP 518 Cb 0.21 -2.53 1.15 0.00 -1.46 0.00 0.00 42.92 40.29 3g45 s ASP 518 CO 0.40 -1.14 2.11 0.24 0.52 0.00 0.00 175.17 177.31 3g45 h MET 519 N 10.84 0.13 0.00 4.34 2.86 -1.86 -1.86 114.93 129.38 3g45 h MET 519 Ca -0.45 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3g45 h MET 519 Cb 1.22 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3g45 h MET 519 CO 0.95 0.10 0.00 -1.13 1.06 0.00 0.00 176.91 177.89 3g45 n SER 520 N -4.51 0.59 -0.78 1.22 3.41 -0.71 -0.90 113.62 111.95 3g45 n SER 520 Ca -0.02 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 3g45 n SER 520 Cb 0.10 -0.80 0.31 0.00 -0.26 0.00 0.00 64.21 63.56 3g45 n SER 520 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g45 n LYS 521 N -2.20 2.02 0.02 4.33 4.76 -0.70 -2.47 118.16 123.92 3g45 n LYS 521 Ca 0.01 -1.53 -0.14 0.00 -2.87 0.00 0.00 58.31 53.78 3g45 n LYS 521 Cb 0.15 -1.44 -0.08 0.00 -1.84 0.00 0.00 35.03 31.82 3g45 n LYS 521 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3g45 h HIS 522 N 3.12 -1.37 -0.95 2.13 -0.00 -1.02 -2.43 115.15 114.63 3g45 h HIS 522 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3g45 h HIS 522 Cb 0.68 0.61 -0.05 0.00 -0.00 0.00 0.00 27.41 28.66 3g45 h HIS 522 CO 0.14 -0.52 0.60 0.52 -0.00 0.00 0.00 177.93 178.68 3g45 h MET 523 N -0.56 1.26 0.00 5.26 2.86 -1.76 -2.20 114.93 119.79 3g45 h MET 523 Ca 0.05 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3g45 h MET 523 Cb 0.67 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3g45 h MET 523 CO -0.39 0.86 -0.58 0.66 1.06 0.00 0.00 176.91 178.52 3g45 h SER 524 N 1.30 0.00 -0.78 1.22 4.64 -1.84 -1.26 113.55 116.82 3g45 h SER 524 Ca 0.34 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 3g45 h SER 524 Cb -0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3g45 h SER 524 CO -0.07 0.58 0.31 -0.07 -0.87 0.00 0.00 176.83 176.71 3g45 h LEU 525 N 0.00 1.07 -0.39 5.97 3.38 -1.02 -2.41 115.31 121.91 3g45 h LEU 525 Ca -0.01 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 3g45 h LEU 525 Cb 1.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3g45 h LEU 525 CO 0.08 0.95 -0.38 0.25 0.09 0.00 0.00 178.44 179.43 3g45 h LEU 526 N 1.14 1.00 -0.47 1.67 5.85 -1.13 -0.55 115.31 122.82 3g45 h LEU 526 Ca 0.26 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3g45 h LEU 526 Cb 0.21 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3g45 h LEU 526 CO -0.02 1.26 0.29 0.00 -0.34 0.00 0.00 178.44 179.63 3g45 h ALA 527 N 0.77 0.59 -0.51 1.25 0.00 -1.21 0.19 119.26 120.35 3g45 h ALA 527 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3g45 h ALA 527 Cb 0.97 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3g45 h ALA 527 CO 0.09 -0.00 0.25 -0.44 0.00 0.00 0.00 179.25 179.15 3g45 h ASP 528 N 0.59 0.66 -0.13 0.00 3.45 -1.29 -2.26 116.42 117.43 3g45 h ASP 528 Ca 0.18 -0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 3g45 h ASP 528 Cb -0.02 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 3g45 h ASP 528 CO -0.07 0.60 -0.01 0.25 -1.57 0.00 0.00 179.24 178.44 3g45 h LEU 529 N 0.68 0.34 -0.13 1.55 5.85 -0.59 0.20 115.31 123.20 3g45 h LEU 529 Ca 0.18 -0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.61 3g45 h LEU 529 Cb 0.11 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.06 3g45 h LEU 529 CO -0.02 0.41 -0.90 0.11 -0.34 0.00 0.00 178.44 177.70 3g45 h LYS 530 N 0.35 0.65 0.00 1.25 1.57 -0.74 -1.16 116.57 118.50 3g45 h LYS 530 Ca 0.08 -0.62 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 3g45 h LYS 530 Cb 0.26 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3g45 h LYS 530 CO 0.01 1.22 -0.16 1.79 -0.57 0.00 0.00 179.45 181.74 3g45 h THR 531 N 0.41 0.33 -0.12 -0.16 1.35 -1.20 -1.98 112.91 111.55 3g45 h THR 531 Ca -0.08 -1.18 -0.03 0.00 -0.55 0.00 0.00 66.41 64.57 3g45 h THR 531 Cb 1.53 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 69.86 3g45 h THR 531 CO 0.17 0.16 -0.05 -0.03 -0.25 0.00 0.00 175.52 175.52 3g45 h MET 532 N 0.00 0.24 -0.42 4.72 1.85 -0.80 -2.74 114.93 117.78 3g45 h MET 532 Ca -0.00 -0.10 0.03 0.00 -0.61 0.00 0.00 59.70 59.02 3g45 h MET 532 Cb 0.91 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.89 3g45 h MET 532 CO 0.02 0.57 0.21 0.28 -0.40 0.00 0.00 176.91 177.59 3g45 h VAL 533 N -0.11 0.96 0.00 -5.77 2.07 -1.04 -1.91 116.25 110.46 3g45 h VAL 533 Ca 0.03 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3g45 h VAL 533 Cb 0.49 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3g45 h VAL 533 CO 0.02 0.08 -0.33 -0.33 0.02 0.00 0.00 177.57 177.02 3g45 h GLU 534 N 0.41 0.00 -0.52 1.57 4.39 -1.41 -2.92 114.58 116.10 3g45 h GLU 534 Ca 0.18 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.62 3g45 h GLU 534 Cb 0.09 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.59 3g45 h GLU 534 CO -0.13 0.33 0.10 0.25 -1.16 0.00 0.00 179.01 178.40 3g45 n THR 535 N -3.71 2.72 -2.45 1.13 -2.24 -1.03 -5.06 114.28 103.63 3g45 n THR 535 Ca -0.01 -2.52 -0.33 0.00 -2.27 0.00 0.00 64.05 58.92 3g45 n THR 535 Cb 0.43 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 3g45 n THR 535 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3g45 s LYS 536 N -3.25 3.81 0.12 -0.78 -2.85 -0.74 -4.99 119.74 111.05 3g45 s LYS 536 Ca 0.48 1.19 0.11 0.00 -1.00 0.00 0.00 55.97 56.75 3g45 s LYS 536 Cb 0.42 -2.11 -0.04 0.00 -2.06 0.00 0.00 37.83 34.05 3g45 s LYS 536 CO 0.03 -0.41 -0.27 0.15 0.10 0.00 0.00 175.35 174.95 3g45 s LYS 537 N -3.60 1.46 -0.07 1.78 3.01 -1.26 -5.07 119.74 115.99 3g45 s LYS 537 Ca 0.64 -1.32 0.02 0.00 -1.01 0.00 0.00 55.97 54.30 3g45 s LYS 537 Cb -0.13 -1.91 0.02 0.00 -1.01 0.00 0.00 37.83 34.79 3g45 s LYS 537 CO 0.25 0.46 -0.11 0.08 0.51 0.00 0.00 175.35 176.54 3g45 s VAL 538 N -1.02 1.08 1.32 3.17 1.01 -1.26 -1.60 120.40 123.10 3g45 s VAL 538 Ca 0.14 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 3g45 s VAL 538 Cb -0.10 -1.01 0.33 0.00 0.00 0.00 0.00 36.38 35.60 3g45 s VAL 538 CO 0.05 0.35 0.98 0.42 0.00 0.00 0.00 175.10 176.90 3g45 s THR 539 N 0.85 1.52 -0.69 3.92 -4.23 -0.39 -4.88 115.64 111.73 3g45 s THR 539 Ca -0.11 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.27 3g45 s THR 539 Cb -0.15 -2.11 0.18 0.00 1.34 0.00 0.00 72.50 71.76 3g45 s THR 539 CO 0.02 0.00 0.61 -0.55 -0.54 0.00 0.00 174.62 174.16 3g45 s SER 540 N -3.00 6.32 0.00 3.99 0.15 -1.26 -3.98 113.70 115.91 3g45 s SER 540 Ca 0.69 -2.40 0.05 0.00 0.70 0.00 0.00 55.95 54.99 3g45 s SER 540 Cb -0.17 -2.14 0.08 0.00 -1.71 0.00 0.00 66.02 62.08 3g45 s SER 540 CO 0.60 -0.63 0.88 -0.24 1.20 0.00 0.00 173.24 175.05 3g45 n SER 541 N 4.34 0.00 -0.06 5.45 2.88 -1.26 -4.91 113.62 120.07 3g45 n SER 541 Ca 0.04 -1.70 -0.01 0.00 -1.33 0.00 0.00 58.87 55.87 3g45 n SER 541 Cb 0.43 -0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 63.83 3g45 n SER 541 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g45 n GLY 542 N 0.10 0.44 3.57 0.46 0.00 -1.26 -5.02 105.19 103.48 3g45 n GLY 542 Ca -0.04 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 3g45 n GLY 542 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g45 s VAL 543 N -2.02 4.11 0.46 1.61 1.01 -1.26 -4.27 120.40 120.03 3g45 s VAL 543 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 3g45 s VAL 543 Cb 0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 3g45 s VAL 543 CO 0.00 0.52 1.31 -0.76 0.00 0.00 0.00 175.10 176.17 3g45 s LEU 544 N 0.00 4.07 -0.35 3.92 1.43 -0.42 -1.26 118.68 126.07 3g45 s LEU 544 Ca 0.02 2.66 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 3g45 s LEU 544 Cb -0.13 -4.06 -0.01 0.00 0.03 0.00 0.00 46.19 42.02 3g45 s LEU 544 CO 0.02 -1.09 0.31 -0.22 0.23 0.00 0.00 176.35 175.60 3g45 s LEU 545 N -2.85 4.52 -0.40 1.79 2.96 -0.62 -4.73 118.68 119.35 3g45 s LEU 545 Ca 0.62 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3g45 s LEU 545 Cb -0.38 -2.25 0.13 0.00 0.50 0.00 0.00 46.19 44.19 3g45 s LEU 545 CO 0.47 -0.31 0.21 -0.76 -1.32 0.00 0.00 176.35 174.64 3g45 s LEU 546 N 1.89 2.26 -0.04 -0.68 1.43 -1.26 -4.64 118.68 117.64 3g45 s LEU 546 Ca 0.09 -2.35 -0.01 0.00 -1.03 0.00 0.00 54.13 50.83 3g45 s LEU 546 Cb -0.17 -0.87 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 3g45 s LEU 546 CO 0.11 -0.30 -0.01 0.44 0.23 0.00 0.00 176.35 176.82 3g45 h ASP 547 N 7.04 0.00 -4.32 2.29 3.45 -1.97 -3.45 116.42 119.46 3g45 h ASP 547 Ca -0.02 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.93 3g45 h ASP 547 Cb 0.95 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 39.83 3g45 h ASP 547 CO 0.44 0.19 0.34 0.54 -1.57 0.00 0.00 179.24 179.18 3g45 s ASN 548 N -3.95 4.95 0.32 6.45 4.22 -1.26 -4.94 114.94 120.72 3g45 s ASN 548 Ca -0.01 1.69 0.02 0.00 -2.14 0.00 0.00 52.86 52.42 3g45 s ASN 548 Cb 0.00 -2.48 0.58 0.00 1.28 0.00 0.00 41.25 40.62 3g45 s ASN 548 CO 0.02 -1.73 1.93 0.22 -2.04 0.00 0.00 177.10 175.49 3g45 h TYR 549 N -0.92 0.97 -0.53 1.54 3.20 -2.00 -3.06 116.97 116.17 3g45 h TYR 549 Ca -0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.46 3g45 h TYR 549 Cb 1.22 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 3g45 h TYR 549 CO 0.59 0.52 0.35 1.15 -1.64 0.00 0.00 178.16 179.13 3g45 h THR 550 N 0.97 1.14 -0.03 1.81 2.02 -1.99 0.55 112.91 117.38 3g45 h THR 550 Ca 0.36 -0.27 -0.16 0.00 0.77 0.00 0.00 66.41 67.11 3g45 h THR 550 Cb 0.18 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3g45 h THR 550 CO -0.13 0.14 -0.71 0.44 0.37 0.00 0.00 175.52 175.63 3g45 h ASP 551 N 0.72 0.22 -0.02 4.18 3.32 -1.94 -1.69 116.42 121.21 3g45 h ASP 551 Ca 0.20 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3g45 h ASP 551 Cb -0.07 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3g45 h ASP 551 CO -0.04 0.86 0.00 0.03 -1.72 0.00 0.00 179.24 178.37 3g45 h ARG 552 N 0.12 0.03 0.00 3.56 3.08 -1.35 -2.67 114.38 117.15 3g45 h ARG 552 Ca -0.02 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3g45 h ARG 552 Cb 1.27 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3g45 h ARG 552 CO 0.11 0.27 -0.55 0.97 -1.07 0.00 0.00 179.97 179.69 3g45 h ILE 553 N -0.22 1.21 -0.28 2.04 6.09 -0.90 -1.71 117.51 123.74 3g45 h ILE 553 Ca 0.00 -2.03 -0.07 0.00 -1.37 0.00 0.00 64.86 61.40 3g45 h ILE 553 Cb 0.25 2.15 -0.02 0.00 0.47 0.00 0.00 36.82 39.68 3g45 h ILE 553 CO 0.00 0.54 -0.11 -0.61 -3.07 0.00 0.00 178.15 174.90 3g45 h GLN 554 N 0.00 0.47 0.00 2.19 4.15 -1.28 0.29 115.11 120.93 3g45 h GLN 554 Ca -0.01 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 3g45 h GLN 554 Cb 1.11 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.75 3g45 h GLN 554 CO 0.07 0.58 -0.08 0.28 -1.93 0.00 0.00 178.83 177.76 3g45 h VAL 555 N 0.43 1.63 -0.97 2.39 2.07 -1.12 -2.66 116.25 118.03 3g45 h VAL 555 Ca 0.08 -1.97 0.12 0.00 0.82 0.00 0.00 66.70 65.75 3g45 h VAL 555 Cb 0.46 2.95 -0.08 0.00 -1.52 0.00 0.00 31.29 33.10 3g45 h VAL 555 CO 0.03 0.52 0.62 -0.07 0.02 0.00 0.00 177.57 178.68 3g45 h LEU 556 N -0.74 0.88 -0.07 2.57 3.38 -1.13 0.25 115.31 120.44 3g45 h LEU 556 Ca -0.01 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 3g45 h LEU 556 Cb 0.89 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3g45 h LEU 556 CO 0.01 0.48 -0.94 0.08 0.09 0.00 0.00 178.44 178.16 3g45 h ARG 557 N 0.95 0.00 0.00 1.13 0.11 -1.03 -2.42 114.38 113.11 3g45 h ARG 557 Ca 0.47 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.46 3g45 h ARG 557 Cb 0.49 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.56 3g45 h ARG 557 CO -0.24 0.94 -0.43 -0.91 0.10 0.00 0.00 179.97 179.43 3g45 h ASN 558 N 0.00 0.00 -0.11 0.08 2.35 -1.01 -2.33 115.58 114.56 3g45 h ASN 558 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3g45 h ASN 558 Cb 1.69 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.06 3g45 h ASN 558 CO 0.12 0.43 -0.08 -0.03 -1.65 0.00 0.00 177.43 176.23 3g45 h MET 559 N 0.00 0.25 -0.29 0.81 4.05 -0.32 0.10 114.93 119.52 3g45 h MET 559 Ca -0.00 -0.12 -0.17 0.00 -0.28 0.00 0.00 59.70 59.13 3g45 h MET 559 Cb 0.85 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.65 3g45 h MET 559 CO 0.06 0.62 -0.49 0.28 0.23 0.00 0.00 176.91 177.61 3g45 h VAL 560 N -0.13 1.28 -0.52 -5.77 2.07 -1.50 0.23 116.25 111.91 3g45 h VAL 560 Ca 0.02 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 65.93 3g45 h VAL 560 Cb 0.56 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3g45 h VAL 560 CO 0.02 0.55 0.20 -0.74 0.02 0.00 0.00 177.57 177.61 3g45 h HIS 561 N 0.63 0.35 -0.37 1.57 6.17 -1.41 0.85 115.15 122.93 3g45 h HIS 561 Ca 0.03 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.06 3g45 h HIS 561 Cb 1.07 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.91 3g45 h HIS 561 CO 0.06 0.11 -0.07 0.00 0.71 0.00 0.00 177.93 178.75 3g45 h ALA 563 N 1.35 0.54 -0.41 0.00 0.00 -0.28 -2.47 119.26 117.99 3g45 h ALA 563 Ca 0.11 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3g45 h ALA 563 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3g45 h ALA 563 CO 0.02 0.14 0.28 0.22 0.00 0.00 0.00 179.25 179.91 3g45 h ASP 564 N 0.52 0.27 -0.83 0.00 3.58 -0.50 -2.00 116.42 117.47 3g45 h ASP 564 Ca 0.14 -0.00 -0.51 0.00 0.42 0.00 0.00 57.03 57.08 3g45 h ASP 564 Cb 0.19 -0.06 -0.28 0.00 1.72 0.00 0.00 39.33 40.91 3g45 h ASP 564 CO -0.01 0.18 0.38 0.18 -2.88 0.00 0.00 179.24 177.09 3g45 n LEU 565 N -4.48 6.31 -0.06 2.28 4.77 -0.70 -4.66 117.00 120.45 3g45 n LEU 565 Ca 0.05 -4.06 0.11 0.00 -0.03 0.00 0.00 56.01 52.09 3g45 n LEU 565 Cb 0.25 -0.78 0.09 0.00 -2.33 0.00 0.00 43.42 40.65 3g45 n LEU 565 CO 0.35 1.40 0.25 -1.54 -1.33 0.00 0.00 177.39 176.51 3g45 n SER 566 N -1.00 0.88 -0.25 -1.43 3.41 -0.75 -4.56 113.62 109.91 3g45 n SER 566 Ca 0.53 -0.72 0.06 0.00 -0.26 0.00 0.00 58.87 58.48 3g45 n SER 566 Cb 1.07 0.57 0.18 0.00 -0.26 0.00 0.00 64.21 65.78 3g45 n SER 566 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g45 h ASN 567 N 0.31 -0.11 0.80 4.04 2.35 -1.83 0.16 115.58 121.30 3g45 h ASN 567 Ca 0.00 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3g45 h ASN 567 Cb 0.52 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3g45 h ASN 567 CO 0.00 -0.10 0.00 -2.65 -1.65 0.00 0.00 177.43 173.03 3g45 n PRO 568 N -5.23 0.00 0.00 0.81 -0.02 -1.26 -2.34 135.00 126.96 3g45 n PRO 568 Ca 0.14 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3g45 n PRO 568 Cb 0.48 -1.51 0.30 0.00 -0.02 0.00 0.00 33.50 32.76 3g45 n PRO 568 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g45 n THR 569 N -1.51 0.00 -2.34 3.45 -2.24 0.03 -4.32 114.28 107.34 3g45 n THR 569 Ca 0.06 -0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 3g45 n THR 569 Cb 0.27 0.35 0.05 0.00 -2.10 0.00 0.00 70.33 68.90 3g45 n THR 569 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g45 s LYS 570 N -2.75 2.57 0.75 -0.78 -0.14 -0.99 -4.56 119.74 113.85 3g45 s LYS 570 Ca 0.17 -0.19 -0.15 0.00 -1.36 0.00 0.00 55.97 54.44 3g45 s LYS 570 Cb 0.18 -2.25 0.01 0.00 -1.68 0.00 0.00 37.83 34.10 3g45 s LYS 570 CO 0.61 -0.93 0.91 -1.13 -0.76 0.00 0.00 175.35 174.05 3g45 n SER 571 N -2.70 0.16 -0.23 2.83 3.41 -1.26 -4.62 113.62 111.20 3g45 n SER 571 Ca 0.06 0.62 -0.07 0.00 -0.26 0.00 0.00 58.87 59.22 3g45 n SER 571 Cb 0.59 -1.38 0.03 0.00 -0.26 0.00 0.00 64.21 63.19 3g45 n SER 571 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3g45 h LEU 572 N -0.46 0.90 -0.74 1.04 5.85 -1.95 -1.63 115.31 118.31 3g45 h LEU 572 Ca -0.47 -0.19 0.14 0.00 0.84 0.00 0.00 57.88 58.20 3g45 h LEU 572 Cb 1.33 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 3g45 h LEU 572 CO 0.45 0.85 0.29 -0.08 -0.34 0.00 0.00 178.44 179.61 3g45 h GLU 573 N 0.90 0.42 -0.13 1.25 4.81 -2.01 -1.67 114.58 118.15 3g45 h GLU 573 Ca 0.21 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 3g45 h GLU 573 Cb 0.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3g45 h GLU 573 CO -0.01 0.28 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.22 3g45 h LEU 574 N 0.43 0.46 -0.77 1.64 3.38 -1.67 -3.20 115.31 115.58 3g45 h LEU 574 Ca 0.41 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3g45 h LEU 574 Cb 0.62 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3g45 h LEU 574 CO -0.40 0.92 -0.15 0.22 0.09 0.00 0.00 178.44 179.12 3g45 h TYR 575 N 0.01 0.86 -0.65 1.13 3.20 -1.12 -2.01 116.97 118.39 3g45 h TYR 575 Ca 0.01 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.75 3g45 h TYR 575 Cb 0.84 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 3g45 h TYR 575 CO 0.10 0.87 0.37 0.00 -1.64 0.00 0.00 178.16 177.87 3g45 h ARG 576 N 0.70 0.69 -0.56 1.82 2.47 -1.39 0.11 114.38 118.21 3g45 h ARG 576 Ca 0.11 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.73 3g45 h ARG 576 Cb 0.64 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 3g45 h ARG 576 CO 0.04 0.46 0.09 1.96 0.56 0.00 0.00 179.97 183.08 3g45 h GLN 577 N 0.71 0.90 -0.23 0.04 4.20 -1.39 -1.58 115.11 117.76 3g45 h GLN 577 Ca 0.28 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 3g45 h GLN 577 Cb 0.12 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3g45 h GLN 577 CO -0.15 0.83 -0.43 -1.49 -0.67 0.00 0.00 178.83 176.92 3g45 h TRP 578 N 0.85 0.88 -0.57 2.96 -0.00 -0.93 -2.54 115.95 116.60 3g45 h TRP 578 Ca 0.18 -0.31 0.01 0.00 -0.00 0.00 0.00 58.89 58.76 3g45 h TRP 578 Cb 0.38 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.16 29.34 3g45 h TRP 578 CO 0.02 1.09 0.37 1.15 -0.00 0.00 0.00 178.44 181.08 3g45 h THR 579 N 0.42 1.13 -0.15 1.49 2.02 -0.90 -0.72 112.91 116.19 3g45 h THR 579 Ca 0.01 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 3g45 h THR 579 Cb 1.03 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3g45 h THR 579 CO 0.10 0.14 -0.28 0.44 0.37 0.00 0.00 175.52 176.28 3g45 h ASP 580 N 0.76 0.28 -0.08 4.18 3.32 -1.25 -0.36 116.42 123.27 3g45 h ASP 580 Ca 0.21 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3g45 h ASP 580 Cb -0.07 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3g45 h ASP 580 CO -0.06 0.56 -0.14 0.03 -1.72 0.00 0.00 179.24 177.92 3g45 h ARG 581 N 0.25 0.23 -0.49 3.56 3.08 -1.06 -1.82 114.38 118.13 3g45 h ARG 581 Ca 0.04 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 3g45 h ARG 581 Cb 0.63 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3g45 h ARG 581 CO 0.05 0.72 -0.01 0.97 -1.07 0.00 0.00 179.97 180.63 3g45 h ILE 582 N -0.23 1.25 -0.52 2.04 6.09 -0.93 -1.55 117.51 123.66 3g45 h ILE 582 Ca 0.01 -1.05 -0.05 0.00 -1.37 0.00 0.00 64.86 62.40 3g45 h ILE 582 Cb 0.71 0.88 -0.02 0.00 0.47 0.00 0.00 36.82 38.86 3g45 h ILE 582 CO 0.03 0.37 0.12 0.24 -3.07 0.00 0.00 178.15 175.84 3g45 h MET 583 N 0.77 0.83 -0.82 2.19 2.86 -1.08 -1.29 114.93 118.39 3g45 h MET 583 Ca 0.15 -0.20 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 3g45 h MET 583 Cb 0.48 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 3g45 h MET 583 CO 0.02 0.80 0.46 0.93 1.06 0.00 0.00 176.91 180.18 3g45 h GLU 584 N 0.72 0.74 -0.30 1.72 4.39 -1.02 -0.04 114.58 120.80 3g45 h GLU 584 Ca 0.16 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 3g45 h GLU 584 Cb 0.34 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3g45 h GLU 584 CO 0.00 0.49 -0.37 1.49 -1.16 0.00 0.00 179.01 179.46 3g45 h GLU 585 N 0.76 0.78 -0.63 2.33 4.81 -0.76 -1.60 114.58 120.26 3g45 h GLU 585 Ca 0.41 -0.44 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3g45 h GLU 585 Cb 0.41 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 3g45 h GLU 585 CO -0.27 1.07 0.40 0.74 -0.73 0.00 0.00 179.01 180.22 3g45 h PHE 586 N 0.53 0.75 -0.58 0.92 0.05 -1.14 -2.12 116.94 115.35 3g45 h PHE 586 Ca 0.04 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.78 3g45 h PHE 586 Cb 0.96 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 38.64 3g45 h PHE 586 CO 0.07 0.44 0.10 0.74 -0.18 0.00 0.00 178.31 179.48 3g45 h PHE 587 N 0.79 0.97 -0.49 -0.55 0.04 -0.68 -0.78 116.94 116.24 3g45 h PHE 587 Ca 0.25 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 3g45 h PHE 587 Cb -0.01 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 3g45 h PHE 587 CO -0.04 0.83 -0.05 1.96 -0.60 0.00 0.00 178.31 180.41 3g45 h GLN 588 N 0.88 0.90 -0.64 1.51 4.20 -1.22 -1.66 115.11 119.07 3g45 h GLN 588 Ca 0.18 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.61 3g45 h GLN 588 Cb 0.38 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3g45 h GLN 588 CO 0.01 0.95 0.40 0.37 -0.67 0.00 0.00 178.83 179.89 3g45 h GLN 589 N 0.75 0.77 -0.87 1.46 4.15 -0.88 -1.67 115.11 118.83 3g45 h GLN 589 Ca 0.13 -0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.61 3g45 h GLN 589 Cb 0.58 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 3g45 h GLN 589 CO 0.03 0.51 0.56 0.78 -1.93 0.00 0.00 178.83 178.79 3g45 h GLY 590 N 0.80 1.23 1.37 2.39 0.00 -0.73 -0.48 103.07 107.65 3g45 h GLY 590 Ca 0.26 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 3g45 h GLY 590 CO -0.10 0.19 -0.75 -0.55 0.00 0.00 0.00 176.54 175.33 3g45 h ASP 591 N 0.84 0.74 -0.85 0.19 3.32 -0.49 -0.83 116.42 119.33 3g45 h ASP 591 Ca 0.41 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3g45 h ASP 591 Cb 0.45 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3g45 h ASP 591 CO -0.17 1.25 0.50 0.11 -1.72 0.00 0.00 179.24 179.21 3g45 h LYS 592 N 0.43 1.17 -0.73 3.56 1.57 -0.85 0.33 116.57 122.04 3g45 h LYS 592 Ca -0.04 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3g45 h LYS 592 Cb 1.35 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3g45 h LYS 592 CO 0.14 0.83 0.34 0.93 -0.57 0.00 0.00 179.45 181.13 3g45 h GLU 593 N 1.18 1.06 -0.37 3.15 5.08 -0.82 -2.44 114.58 121.41 3g45 h GLU 593 Ca 0.30 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 3g45 h GLU 593 Cb -0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3g45 h GLU 593 CO -0.05 0.84 -0.39 -0.09 -1.00 0.00 0.00 179.01 178.31 3g45 h ARG 594 N 1.03 0.92 -0.07 2.33 2.43 -0.82 0.56 114.38 120.76 3g45 h ARG 594 Ca 0.25 -0.49 0.02 0.00 -0.81 0.00 0.00 59.98 58.95 3g45 h ARG 594 Cb 0.13 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3g45 h ARG 594 CO -0.03 1.14 0.11 0.93 -1.51 0.00 0.00 179.97 180.61 3g45 h GLU 595 N 0.75 0.00 -0.02 0.20 5.08 -0.17 -1.64 114.58 118.78 3g45 h GLU 595 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3g45 h GLU 595 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3g45 h GLU 595 CO 0.10 0.00 -0.27 0.54 -1.00 0.00 0.00 179.01 178.38 3g45 n ARG 596 N -3.53 1.66 -1.66 2.33 1.74 -0.94 -4.97 116.66 111.29 3g45 n ARG 596 Ca -0.01 -1.36 -0.11 0.00 -0.77 0.00 0.00 57.85 55.60 3g45 n ARG 596 Cb 0.20 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3g45 n ARG 596 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g45 n GLY 597 N 1.38 0.71 3.94 -0.13 0.00 -0.62 -5.04 105.19 105.44 3g45 n GLY 597 Ca 0.11 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 3g45 n GLY 597 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g45 s MET 598 N -3.55 3.01 0.31 1.61 -1.94 0.15 -5.01 119.30 113.89 3g45 s MET 598 Ca 0.00 -0.31 -0.27 0.00 -1.71 0.00 0.00 55.69 53.40 3g45 s MET 598 Cb 0.00 -2.45 -0.09 0.00 2.01 0.00 0.00 34.83 34.29 3g45 s MET 598 CO 0.00 -0.43 0.99 -1.83 -0.01 0.00 0.00 175.02 173.74 3g45 s GLU 599 N -4.72 4.57 -0.16 2.03 -1.05 -1.26 -4.35 118.70 113.76 3g45 s GLU 599 Ca 0.50 1.47 -0.29 0.00 -0.15 0.00 0.00 54.97 56.50 3g45 s GLU 599 Cb -0.10 -2.91 -0.01 0.00 -0.44 0.00 0.00 34.13 30.67 3g45 s GLU 599 CO 0.41 0.24 1.09 0.42 0.95 0.00 0.00 175.26 178.37 3g45 s ILE 600 N -1.46 4.58 0.88 1.83 -1.09 -1.26 -4.94 121.20 119.74 3g45 s ILE 600 Ca 0.49 1.89 -0.11 0.00 -2.23 0.00 0.00 60.65 60.68 3g45 s ILE 600 Cb -0.23 -4.22 0.12 0.00 -1.58 0.00 0.00 42.46 36.55 3g45 s ILE 600 CO 0.29 -0.09 1.12 -1.20 -1.23 0.00 0.00 174.94 173.83 3g45 n SER 601 N 5.83 0.46 -4.77 3.58 7.64 -1.26 -4.88 113.62 120.22 3g45 n SER 601 Ca 0.11 0.48 -0.40 0.00 1.01 0.00 0.00 58.87 60.08 3g45 n SER 601 Cb 0.47 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 3g45 n SER 601 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3g45 s PRO 602 N -4.36 3.87 0.00 1.43 0.02 -1.26 -2.36 135.00 132.34 3g45 s PRO 602 Ca 0.69 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.98 3g45 s PRO 602 Cb -0.25 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3g45 s PRO 602 CO 0.56 -0.61 0.00 -1.33 -0.33 0.00 0.00 177.00 175.29 3g45 n MET 603 N 0.03 -0.21 0.00 5.54 2.81 -1.26 -4.86 117.12 119.16 3g45 n MET 603 Ca 0.04 0.05 0.08 0.00 -1.81 0.00 0.00 57.70 56.06 3g45 n MET 603 Cb 0.43 -3.43 0.01 0.00 -0.71 0.00 0.00 33.22 29.51 3g45 n MET 603 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g45 s ASP 605 N -1.80 6.36 0.52 0.00 -1.08 -1.26 -3.83 116.67 115.58 3g45 s ASP 605 Ca 0.14 -0.30 0.20 0.00 -0.52 0.00 0.00 52.55 52.07 3g45 s ASP 605 Cb 0.13 -2.39 1.36 0.00 -1.46 0.00 0.00 42.92 40.56 3g45 s ASP 605 CO 0.37 -1.03 2.13 0.07 0.52 0.00 0.00 175.17 177.23 3g45 h LYS 606 N 9.10 0.00 -0.00 4.34 2.10 -1.89 -2.21 116.57 128.00 3g45 h LYS 606 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3g45 h LYS 606 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3g45 h LYS 606 CO 1.01 0.06 -0.13 0.72 -2.00 0.00 0.00 179.45 179.11 3g45 n HIS 607 N -4.20 0.00 -1.70 0.07 8.25 -1.26 -4.14 115.22 112.24 3g45 n HIS 607 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.47 3g45 n HIS 607 Cb 0.15 -0.43 0.06 0.00 1.12 0.00 0.00 29.99 30.89 3g45 n HIS 607 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3g45 n THR 608 N -1.49 0.76 -1.83 1.59 -2.24 -0.87 -5.08 114.28 105.13 3g45 n THR 608 Ca 0.07 -1.02 -0.34 0.00 -2.27 0.00 0.00 64.05 60.49 3g45 n THR 608 Cb 0.34 0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 3g45 n THR 608 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g45 s ALA 609 N -1.15 2.47 -0.41 6.98 0.00 -1.01 -4.98 121.76 123.66 3g45 s ALA 609 Ca 0.15 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3g45 s ALA 609 Cb 0.14 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 20.07 3g45 s ALA 609 CO -0.01 -1.25 0.31 -1.54 0.00 0.00 0.00 175.76 173.27 3g45 s SER 610 N -2.30 2.17 0.24 0.00 1.04 -1.26 -5.03 113.70 108.56 3g45 s SER 610 Ca 0.70 -2.84 -0.05 0.00 0.48 0.00 0.00 55.95 54.24 3g45 s SER 610 Cb -0.23 -0.53 0.37 0.00 0.10 0.00 0.00 66.02 65.74 3g45 s SER 610 CO 0.39 -0.21 1.82 0.58 0.98 0.00 0.00 173.24 176.80 3g45 h VAL 611 N 4.76 0.95 0.17 5.02 2.07 -1.98 -0.27 116.25 126.98 3g45 h VAL 611 Ca 0.19 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3g45 h VAL 611 Cb 0.92 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3g45 h VAL 611 CO 0.37 0.15 -0.08 -0.33 0.02 0.00 0.00 177.57 177.70 3g45 h GLU 612 N 0.84 -0.22 -0.99 1.57 3.07 -1.95 -0.89 114.58 116.02 3g45 h GLU 612 Ca 0.39 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.30 3g45 h GLU 612 Cb 0.30 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.20 3g45 h GLU 612 CO -0.22 0.10 0.65 0.87 -1.40 0.00 0.00 179.01 179.00 3g45 h LYS 613 N -0.56 1.20 -0.54 2.33 1.57 -1.80 -2.42 116.57 116.35 3g45 h LYS 613 Ca -0.02 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3g45 h LYS 613 Cb 0.42 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3g45 h LYS 613 CO 0.04 0.79 0.07 0.77 -0.57 0.00 0.00 179.45 180.55 3g45 h SER 614 N 1.24 0.83 -0.52 0.86 0.02 -0.81 -1.34 113.55 113.84 3g45 h SER 614 Ca 0.40 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 3g45 h SER 614 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3g45 h SER 614 CO -0.13 0.86 -0.12 1.56 -1.14 0.00 0.00 176.83 177.86 3g45 h GLN 615 N 0.83 1.00 -0.82 3.45 1.08 -0.85 -0.76 115.11 119.05 3g45 h GLN 615 Ca 0.17 -0.38 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 3g45 h GLN 615 Cb 0.40 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 3g45 h GLN 615 CO 0.01 1.06 0.38 0.28 -0.95 0.00 0.00 178.83 179.61 3g45 h VAL 616 N 0.87 1.26 -0.58 -0.54 2.07 -1.09 -1.25 116.25 117.00 3g45 h VAL 616 Ca 0.13 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3g45 h VAL 616 Cb 0.69 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3g45 h VAL 616 CO 0.05 0.31 0.01 1.23 0.02 0.00 0.00 177.57 179.19 3g45 h GLY 617 N 1.17 1.08 1.12 2.17 0.00 -1.08 -1.40 103.07 106.13 3g45 h GLY 617 Ca 0.28 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3g45 h GLY 617 CO -0.03 0.71 0.49 -2.75 0.00 0.00 0.00 176.54 174.96 3g45 h PHE 618 N 0.92 1.13 0.03 5.60 3.57 -0.64 -1.58 116.94 125.97 3g45 h PHE 618 Ca 0.17 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3g45 h PHE 618 Cb 0.52 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 38.90 3g45 h PHE 618 CO 0.03 0.77 -0.31 0.82 -2.23 0.00 0.00 178.31 177.39 3g45 h ILE 619 N 1.18 1.60 -0.77 1.41 2.04 -1.00 -0.50 117.51 121.46 3g45 h ILE 619 Ca 0.30 -2.16 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 3g45 h ILE 619 Cb -0.02 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 3g45 h ILE 619 CO -0.05 0.59 0.29 0.44 0.00 0.00 0.00 178.15 179.42 3g45 h ASP 620 N -0.58 1.08 0.00 1.72 3.32 -1.18 0.36 116.42 121.13 3g45 h ASP 620 Ca -0.05 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3g45 h ASP 620 Cb 1.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3g45 h ASP 620 CO 0.06 0.96 -1.29 -1.22 -1.72 0.00 0.00 179.24 176.03 3g45 n TYR 621 N -4.27 0.00 0.05 4.55 4.01 -0.60 -4.39 117.16 116.51 3g45 n TYR 621 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3g45 n TYR 621 Cb 0.20 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3g45 n TYR 621 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3g45 n ILE 622 N -1.73 0.11 -0.03 -0.72 5.41 -0.77 -4.80 119.36 116.82 3g45 n ILE 622 Ca 0.01 0.04 -0.15 0.00 1.00 0.00 0.00 62.75 63.64 3g45 n ILE 622 Cb 0.38 -0.71 -0.09 0.00 -0.71 0.00 0.00 39.64 38.51 3g45 n ILE 622 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3g45 h VAL 623 N 0.00 1.39 -0.05 1.39 2.07 -1.05 -2.97 116.25 117.02 3g45 h VAL 623 Ca 0.00 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 3g45 h VAL 623 Cb 0.12 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3g45 h VAL 623 CO 0.00 0.51 -0.04 -0.74 0.02 0.00 0.00 177.57 177.32 3g45 h HIS 624 N 0.00 0.14 -0.29 1.57 -0.00 -0.52 -1.81 115.15 114.24 3g45 h HIS 624 Ca -0.02 -0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.37 3g45 h HIS 624 Cb 1.02 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.35 3g45 h HIS 624 CO 0.12 0.54 -0.04 -1.35 -0.00 0.00 0.00 177.93 177.20 3g45 h PRO 625 N -0.31 0.04 -0.50 5.26 0.11 -1.73 0.11 132.00 134.98 3g45 h PRO 625 Ca 0.01 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.20 3g45 h PRO 625 Cb 0.51 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.55 3g45 h PRO 625 CO 0.01 0.03 0.12 1.25 -0.21 0.00 0.00 178.00 179.20 3g45 h LEU 626 N 0.04 0.06 -0.42 2.35 5.85 -1.50 -1.82 115.31 119.87 3g45 h LEU 626 Ca 0.14 0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 3g45 h LEU 626 Cb 0.20 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3g45 h LEU 626 CO -0.27 0.06 -0.79 -0.50 -0.34 0.00 0.00 178.44 176.60 3g45 h TRP 627 N 0.27 0.08 -0.48 1.25 4.06 -0.65 -0.34 115.95 120.14 3g45 h TRP 627 Ca 0.25 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 61.12 3g45 h TRP 627 Cb 0.31 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 3g45 h TRP 627 CO -0.21 0.82 0.13 1.49 -3.56 0.00 0.00 178.44 177.12 3g45 h GLU 628 N 0.03 0.76 -0.57 0.49 4.81 -0.62 0.15 114.58 119.62 3g45 h GLU 628 Ca -0.02 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 3g45 h GLU 628 Cb 1.40 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 3g45 h GLU 628 CO 0.11 0.73 0.05 1.15 -0.73 0.00 0.00 179.01 180.32 3g45 h THR 629 N 0.65 1.25 -0.43 0.32 2.02 -1.07 -2.25 112.91 113.40 3g45 h THR 629 Ca 0.15 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 3g45 h THR 629 Cb 0.30 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3g45 h THR 629 CO -0.00 0.37 0.11 -0.25 0.37 0.00 0.00 175.52 176.12 3g45 h TRP 630 N 0.89 0.72 -0.87 3.16 2.91 -0.73 -2.32 115.95 119.71 3g45 h TRP 630 Ca 0.17 -0.08 0.04 0.00 1.13 0.00 0.00 58.89 60.15 3g45 h TRP 630 Cb 0.45 -0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 28.85 3g45 h TRP 630 CO 0.03 0.67 0.57 0.00 -1.03 0.00 0.00 178.44 178.68 3g45 h ALA 631 N 0.97 1.49 -0.36 2.65 0.00 -0.62 -1.45 119.26 121.94 3g45 h ALA 631 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3g45 h ALA 631 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g45 h ALA 631 CO 0.00 0.41 0.08 -0.44 0.00 0.00 0.00 179.25 179.30 3g45 h ASP 632 N 1.05 0.55 -0.88 0.00 3.45 -1.28 0.50 116.42 119.82 3g45 h ASP 632 Ca 0.35 -0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 3g45 h ASP 632 Cb 0.08 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.67 3g45 h ASP 632 CO -0.11 0.65 0.50 0.25 -1.57 0.00 0.00 179.24 178.95 3g45 h LEU 633 N 0.43 1.09 -2.14 1.55 5.85 -0.80 -3.25 115.31 118.03 3g45 h LEU 633 Ca 0.11 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3g45 h LEU 633 Cb 0.32 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3g45 h LEU 633 CO 0.00 0.86 0.00 1.33 -0.34 0.00 0.00 178.44 180.30 3g45 n VAL 634 N -4.37 0.49 -1.44 1.05 0.24 -0.61 -5.01 118.33 108.68 3g45 n VAL 634 Ca 0.09 -0.74 -0.44 0.00 -2.04 0.00 0.00 64.34 61.21 3g45 n VAL 634 Cb 0.09 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.32 3g45 n VAL 634 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g45 n GLN 635 N 0.56 0.49 -0.12 7.34 10.64 0.18 -2.12 117.38 134.34 3g45 n GLN 635 Ca 0.09 0.17 0.03 0.00 -1.83 0.00 0.00 57.00 55.47 3g45 n GLN 635 Cb 0.35 -1.37 0.09 0.00 -0.86 0.00 0.00 30.24 28.46 3g45 n GLN 635 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 3g45 n PRO 636 N 0.83 1.55 0.49 2.61 -0.04 -1.26 -4.96 135.00 134.22 3g45 n PRO 636 Ca 0.13 -0.77 -0.20 0.00 -0.04 0.00 0.00 63.50 62.62 3g45 n PRO 636 Cb 0.34 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 3g45 n PRO 636 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3g45 h ASP 637 N 1.21 -1.14 0.00 3.54 3.58 -1.70 -3.30 116.42 118.61 3g45 h ASP 637 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3g45 h ASP 637 Cb 0.35 0.30 0.00 0.00 1.72 0.00 0.00 39.33 41.70 3g45 h ASP 637 CO 0.01 -0.78 0.00 0.00 -2.88 0.00 0.00 179.24 175.59 3g45 n ALA 638 N -2.67 2.50 0.07 -0.78 0.00 -1.26 -4.35 120.51 114.02 3g45 n ALA 638 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 3g45 n ALA 638 Cb 0.51 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 3g45 n ALA 638 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g45 h GLN 639 N 0.00 0.41 0.16 0.00 5.75 -1.94 -1.59 115.11 117.90 3g45 h GLN 639 Ca 0.00 -0.45 -0.29 0.00 -0.15 0.00 0.00 58.65 57.76 3g45 h GLN 639 Cb 0.94 0.13 0.01 0.00 1.07 0.00 0.00 27.48 29.63 3g45 h GLN 639 CO 0.00 1.12 -1.30 -0.44 -2.65 0.00 0.00 178.83 175.56 3g45 h ASP 640 N 0.22 0.52 -0.70 -0.69 3.45 -1.90 -2.00 116.42 115.33 3g45 h ASP 640 Ca -0.08 -0.56 0.14 0.00 0.43 0.00 0.00 57.03 56.96 3g45 h ASP 640 Cb 1.60 -0.17 -0.13 0.00 -0.56 0.00 0.00 39.33 40.07 3g45 h ASP 640 CO 0.17 1.44 -0.13 0.40 -1.57 0.00 0.00 179.24 179.54 3g45 h ILE 641 N 0.09 0.33 -0.31 0.35 2.04 -1.86 0.12 117.51 118.27 3g45 h ILE 641 Ca -0.16 -0.01 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 3g45 h ILE 641 Cb 2.02 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3g45 h ILE 641 CO 0.22 0.00 -0.42 0.25 0.00 0.00 0.00 178.15 178.20 3g45 h LEU 642 N 0.02 0.82 -0.91 1.44 5.85 -1.22 -2.47 115.31 118.84 3g45 h LEU 642 Ca 0.34 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3g45 h LEU 642 Cb 0.55 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3g45 h LEU 642 CO -0.69 1.13 -0.06 0.44 -0.34 0.00 0.00 178.44 178.92 3g45 h ASP 643 N 0.62 0.72 -0.69 1.25 3.32 -1.03 -2.63 116.42 117.97 3g45 h ASP 643 Ca 0.04 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 3g45 h ASP 643 Cb 0.98 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 3g45 h ASP 643 CO 0.09 0.82 0.25 0.74 -1.72 0.00 0.00 179.24 179.43 3g45 h THR 644 N 0.68 1.25 -0.51 0.35 2.02 -0.74 -1.12 112.91 114.84 3g45 h THR 644 Ca 0.13 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.54 3g45 h THR 644 Cb 0.50 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3g45 h THR 644 CO 0.03 0.33 0.25 0.25 0.37 0.00 0.00 175.52 176.74 3g45 h LEU 645 N 1.04 0.35 0.03 2.58 5.85 -1.24 0.13 115.31 124.05 3g45 h LEU 645 Ca 0.24 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3g45 h LEU 645 Cb 0.24 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3g45 h LEU 645 CO -0.01 0.24 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.97 3g45 h GLU 646 N 0.49 -0.06 -0.25 1.25 5.08 -1.08 0.08 114.58 120.08 3g45 h GLU 646 Ca 0.23 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 3g45 h GLU 646 Cb 0.15 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3g45 h GLU 646 CO -0.17 -0.04 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.24 3g45 h ASP 647 N -0.07 -0.41 -0.25 1.42 3.32 -0.85 0.19 116.42 119.78 3g45 h ASP 647 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3g45 h ASP 647 Cb 0.06 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3g45 h ASP 647 CO -0.01 -0.16 0.17 0.78 -1.72 0.00 0.00 179.24 178.30 3g45 h ASN 648 N -0.09 0.29 -0.34 6.45 4.21 -0.62 -0.20 115.58 125.27 3g45 h ASN 648 Ca 0.13 -0.01 0.06 0.00 1.21 0.00 0.00 56.30 57.70 3g45 h ASN 648 Cb 0.29 -0.07 -0.06 0.00 -1.12 0.00 0.00 38.32 37.36 3g45 h ASN 648 CO -0.31 0.21 -0.03 -0.09 -1.29 0.00 0.00 177.43 175.93 3g45 h ARG 649 N 0.34 0.06 -0.17 0.81 2.43 -0.70 -1.18 114.38 115.98 3g45 h ARG 649 Ca 0.09 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3g45 h ARG 649 Cb -0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3g45 h ARG 649 CO -0.02 0.04 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.16 3g45 h ASN 650 N 0.07 0.42 -0.25 -3.80 2.35 -0.52 -0.77 115.58 113.08 3g45 h ASN 650 Ca 0.17 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3g45 h ASN 650 Cb 0.24 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3g45 h ASN 650 CO -0.30 0.79 0.14 -0.25 -1.65 0.00 0.00 177.43 176.16 3g45 h TRP 651 N 0.33 0.33 -0.32 1.19 7.01 -0.72 0.24 115.95 124.01 3g45 h TRP 651 Ca 0.03 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 3g45 h TRP 651 Cb 0.87 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.81 3g45 h TRP 651 CO 0.02 0.27 0.11 1.88 -2.79 0.00 0.00 178.44 177.94 3g45 h TYR 652 N 0.30 0.44 -0.33 2.65 0.05 -0.75 -2.02 116.97 117.30 3g45 h TYR 652 Ca 0.09 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.69 3g45 h TYR 652 Cb 0.04 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 3g45 h TYR 652 CO -0.04 0.36 -0.44 0.37 -1.05 0.00 0.00 178.16 177.36 3g45 h GLN 653 N 0.45 0.88 0.00 4.88 4.15 -0.75 -2.73 115.11 121.99 3g45 h GLN 653 Ca 0.11 -0.50 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 3g45 h GLN 653 Cb 0.11 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 3g45 h GLN 653 CO -0.01 1.15 -0.01 0.66 -1.93 0.00 0.00 178.83 178.69 3g45 h SER 654 N 0.67 0.00 0.07 -0.69 4.64 -0.05 -1.23 113.55 116.96 3g45 h SER 654 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3g45 h SER 654 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3g45 h SER 654 CO 0.10 0.01 -0.23 0.23 -0.87 0.00 0.00 176.83 176.07 3g45 n MET 655 N -3.18 1.36 -2.05 4.77 2.81 -0.81 -4.91 117.12 115.11 3g45 n MET 655 Ca -0.02 -0.97 -0.42 0.00 -1.81 0.00 0.00 57.70 54.48 3g45 n MET 655 Cb 0.12 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 3g45 n MET 655 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3g45 s ILE 656 N -2.31 2.85 0.48 2.02 1.01 -0.47 -4.96 121.20 119.83 3g45 s ILE 656 Ca 0.26 0.66 -0.18 0.00 0.00 0.00 0.00 60.65 61.39 3g45 s ILE 656 Cb 0.19 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.15 3g45 s ILE 656 CO 0.46 0.08 0.97 -2.84 0.00 0.00 0.00 174.94 173.61 3g45 s PRO 657 N 0.37 4.04 0.00 2.79 0.02 -1.26 -5.06 135.00 135.90 3g45 s PRO 657 Ca 0.63 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.65 3g45 s PRO 657 Cb -0.41 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 31.96 3g45 s PRO 657 CO 0.37 -0.18 0.00 0.94 -0.33 0.00 0.00 177.00 177.80