#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihy n MET -1 N 0.00 1.05 -4.15 -1.46 0.00 -1.26 -4.95 117.12 106.36 3ihy n MET -1 Ca 0.00 -2.57 -0.31 0.00 -0.00 0.00 0.00 57.70 54.82 3ihy n MET -1 Cb 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 33.22 31.93 3ihy n MET -1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3ihy s SER 282 N -2.65 5.24 -0.46 6.12 1.04 -1.26 -5.03 113.70 116.71 3ihy s SER 282 Ca 0.30 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.71 3ihy s SER 282 Cb 0.29 -1.35 0.64 0.00 0.10 0.00 0.00 66.02 65.70 3ihy s SER 282 CO -0.04 0.21 1.91 0.47 0.98 0.00 0.00 173.24 176.78 3ihy n ASP 283 N 0.83 4.00 -0.04 7.02 9.92 -1.26 -4.64 116.55 132.38 3ihy n ASP 283 Ca -0.11 -3.59 0.14 0.00 -0.53 0.00 0.00 54.79 50.70 3ihy n ASP 283 Cb 0.52 -0.84 0.56 0.00 -0.64 0.00 0.00 41.12 40.72 3ihy n ASP 283 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3ihy h HIS 284 N 1.05 0.29 0.00 1.24 3.86 -1.95 -3.01 115.15 116.63 3ihy h HIS 284 Ca 0.63 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 3ihy h HIS 284 Cb 2.71 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 31.08 3ihy h HIS 284 CO 1.56 0.13 -1.01 -0.25 0.86 0.00 0.00 177.93 179.22 3ihy n ASP 285 N -4.45 0.80 -4.57 2.45 9.92 -1.26 -4.83 116.55 114.61 3ihy n ASP 285 Ca 0.09 -0.73 -0.39 0.00 -0.53 0.00 0.00 54.79 53.24 3ihy n ASP 285 Cb 0.43 0.95 -0.03 0.00 -0.64 0.00 0.00 41.12 41.83 3ihy n ASP 285 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ihy s LEU 286 N -3.22 3.41 -0.23 0.64 1.43 -1.14 -4.94 118.68 114.64 3ihy s LEU 286 Ca 0.07 1.34 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 3ihy s LEU 286 Cb 0.16 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3ihy s LEU 286 CO 0.84 -2.51 0.35 -0.54 0.23 0.00 0.00 176.35 174.73 3ihy s LYS 287 N 7.47 4.11 0.59 1.70 3.01 -1.26 -4.61 119.74 130.76 3ihy s LYS 287 Ca 0.97 0.08 -0.14 0.00 -1.01 0.00 0.00 55.97 55.87 3ihy s LYS 287 Cb -0.23 -3.57 -0.04 0.00 -1.01 0.00 0.00 37.83 32.98 3ihy s LYS 287 CO 0.29 -0.09 1.03 -2.14 0.51 0.00 0.00 175.35 174.95 3ihy s PRO 288 N 1.49 3.51 0.69 -1.68 0.02 -1.26 -5.06 135.00 132.71 3ihy s PRO 288 Ca 0.16 1.00 -0.17 0.00 0.02 0.00 0.00 61.00 62.01 3ihy s PRO 288 Cb -0.15 -2.07 -0.07 0.00 0.02 0.00 0.00 34.50 32.24 3ihy s PRO 288 CO 0.08 -0.64 0.38 0.09 -0.33 0.00 0.00 177.00 176.58 3ihy n ASN 289 N -2.19 -1.73 -0.26 2.53 3.02 -1.26 -4.74 115.26 110.63 3ihy n ASN 289 Ca 0.07 0.60 0.09 0.00 -0.03 0.00 0.00 54.58 55.31 3ihy n ASN 289 Cb 0.54 -1.14 0.35 0.00 -0.61 0.00 0.00 39.78 38.91 3ihy n ASN 289 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ihy h ALA 290 N -0.27 1.74 0.34 5.41 0.00 -1.97 0.72 119.26 125.23 3ihy h ALA 290 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3ihy h ALA 290 Cb 1.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ihy h ALA 290 CO 0.42 0.06 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 3ihy h ALA 291 N 1.58 -0.46 0.00 0.00 0.00 -2.01 -2.77 119.26 115.61 3ihy h ALA 291 Ca 0.41 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3ihy h ALA 291 Cb 0.52 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3ihy h ALA 291 CO -0.17 -0.71 -0.68 1.79 0.00 0.00 0.00 179.25 179.47 3ihy h THR 292 N -0.55 1.24 -0.50 0.00 1.35 -1.85 -2.82 112.91 109.78 3ihy h THR 292 Ca -0.05 -2.58 0.07 0.00 -0.55 0.00 0.00 66.41 63.31 3ihy h THR 292 Cb 0.41 2.50 -0.03 0.00 -1.73 0.00 0.00 68.15 69.30 3ihy h THR 292 CO 0.08 0.67 0.34 0.03 -0.25 0.00 0.00 175.52 176.38 3ihy h ARG 293 N 0.00 0.36 0.08 4.72 3.08 0.44 -0.91 114.38 122.14 3ihy h ARG 293 Ca -0.01 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 3ihy h ARG 293 Cb 1.44 -0.08 0.02 0.00 0.08 0.00 0.00 29.97 31.43 3ihy h ARG 293 CO 0.09 0.24 -0.74 0.22 -1.07 0.00 0.00 179.97 178.71 3ihy h ASP 294 N 0.37 0.52 -0.66 7.04 1.82 -1.24 -2.53 116.42 121.75 3ihy h ASP 294 Ca 0.22 -0.86 0.14 0.00 -0.39 0.00 0.00 57.03 56.14 3ihy h ASP 294 Cb 0.40 -0.16 -0.11 0.00 0.68 0.00 0.00 39.33 40.14 3ihy h ASP 294 CO -0.06 1.33 0.06 1.56 -1.61 0.00 0.00 179.24 180.52 3ihy h GLN 295 N -0.22 0.16 -0.49 0.28 4.20 -1.34 -2.20 115.11 115.49 3ihy h GLN 295 Ca -0.11 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 3ihy h GLN 295 Cb 1.51 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.23 3ihy h GLN 295 CO 0.14 0.11 0.06 -0.07 -0.67 0.00 0.00 178.83 178.40 3ihy h LEU 296 N 0.17 0.80 -1.17 1.46 3.38 -1.13 -0.81 115.31 118.02 3ihy h LEU 296 Ca 0.35 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ihy h LEU 296 Cb 0.58 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ihy h LEU 296 CO -0.52 0.87 -0.00 0.78 0.09 0.00 0.00 178.44 179.66 3ihy h ASN 297 N 0.70 0.54 -0.04 -0.43 4.21 -1.35 0.30 115.58 119.51 3ihy h ASN 297 Ca 0.15 -0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 3ihy h ASN 297 Cb 0.42 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3ihy h ASN 297 CO 0.01 0.61 0.01 0.40 -1.29 0.00 0.00 177.43 177.17 3ihy h ILE 298 N 0.55 1.19 -0.07 2.81 1.08 -1.04 0.63 117.51 122.65 3ihy h ILE 298 Ca 0.11 -0.56 0.03 0.00 -0.39 0.00 0.00 64.86 64.05 3ihy h ILE 298 Cb 0.36 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 3ihy h ILE 298 CO 0.01 0.15 -0.08 0.40 -0.69 0.00 0.00 178.15 177.94 3ihy h ILE 299 N -0.16 0.77 -0.85 -0.67 2.04 -0.97 -2.35 117.51 115.33 3ihy h ILE 299 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.98 3ihy h ILE 299 Cb 0.23 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3ihy h ILE 299 CO 0.00 0.00 0.55 0.58 0.00 0.00 0.00 178.15 179.28 3ihy h VAL 300 N -0.11 0.94 -0.00 1.67 2.07 -0.26 -2.15 116.25 118.41 3ihy h VAL 300 Ca 0.06 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ihy h VAL 300 Cb 0.19 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3ihy h VAL 300 CO -0.14 0.14 -0.09 -1.54 0.02 0.00 0.00 177.57 175.97 3ihy n SER 301 N -4.52 0.15 -4.48 0.57 3.41 0.20 -4.86 113.62 104.10 3ihy n SER 301 Ca 0.15 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.42 3ihy n SER 301 Cb 0.34 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3ihy n SER 301 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ihy n TYR 302 N -1.34 -0.65 -0.77 7.33 4.01 -0.81 -4.97 117.16 119.96 3ihy n TYR 302 Ca 0.10 0.39 -0.30 0.00 -0.16 0.00 0.00 57.90 57.93 3ihy n TYR 302 Cb 0.30 -1.95 0.19 0.00 -0.31 0.00 0.00 39.34 37.58 3ihy n TYR 302 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3ihy s PRO 303 N -2.49 0.40 0.54 -0.72 0.04 -1.26 -4.89 135.00 126.62 3ihy s PRO 303 Ca 0.68 1.13 0.31 0.00 0.04 0.00 0.00 61.00 63.15 3ihy s PRO 303 Cb -0.39 -1.69 1.48 0.00 0.04 0.00 0.00 34.50 33.94 3ihy s PRO 303 CO 0.56 -2.91 2.05 -1.00 0.04 0.00 0.00 177.00 175.73 3ihy h PRO 304 N -2.05 0.00 0.00 0.56 0.13 -1.95 -2.78 132.00 125.90 3ihy h PRO 304 Ca -0.51 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 3ihy h PRO 304 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 3ihy h PRO 304 CO 0.48 0.09 -1.01 1.79 -0.23 0.00 0.00 178.00 179.12 3ihy h THR 305 N 0.00 0.88 -2.59 1.56 1.35 -2.01 -3.47 112.91 108.63 3ihy h THR 305 Ca -0.00 -2.39 -0.60 0.00 -0.55 0.00 0.00 66.41 62.87 3ihy h THR 305 Cb 0.40 2.36 0.11 0.00 -1.73 0.00 0.00 68.15 69.29 3ihy h THR 305 CO 0.01 0.50 0.22 1.17 -0.25 0.00 0.00 175.52 177.17 3ihy n LYS 306 N -3.11 1.50 -4.32 4.72 3.00 -1.05 -4.98 118.16 113.91 3ihy n LYS 306 Ca -0.04 0.53 -0.35 0.00 -0.00 0.00 0.00 58.31 58.45 3ihy n LYS 306 Cb 0.83 -1.95 -0.09 0.00 0.00 0.00 0.00 35.03 33.82 3ihy n LYS 306 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3ihy s GLN 307 N -1.50 3.02 0.10 1.64 -1.52 -1.26 -4.99 119.66 115.15 3ihy s GLN 307 Ca 0.59 -0.39 -0.07 0.00 -1.95 0.00 0.00 55.36 53.54 3ihy s GLN 307 Cb -0.69 -2.83 -0.06 0.00 -0.22 0.00 0.00 33.01 29.22 3ihy s GLN 307 CO 0.59 0.71 0.38 -0.51 -0.25 0.00 0.00 175.29 176.21 3ihy s LEU 308 N -0.95 4.31 0.55 2.90 1.43 -1.26 -5.09 118.68 120.57 3ihy s LEU 308 Ca 0.14 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 53.76 3ihy s LEU 308 Cb -0.11 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 42.93 3ihy s LEU 308 CO 0.03 0.12 1.02 0.42 0.23 0.00 0.00 176.35 178.17 3ihy s THR 309 N -1.52 4.27 0.23 5.49 -4.23 -1.26 -4.87 115.64 113.75 3ihy s THR 309 Ca 0.36 1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 61.86 3ihy s THR 309 Cb -0.13 -3.60 0.19 0.00 1.34 0.00 0.00 72.50 70.30 3ihy s THR 309 CO 0.21 -0.66 1.73 1.88 -0.54 0.00 0.00 174.62 177.24 3ihy h TYR 310 N 0.62 0.42 -0.73 3.99 0.05 -2.00 0.61 116.97 119.94 3ihy h TYR 310 Ca -0.47 0.03 0.14 0.00 0.05 0.00 0.00 58.73 58.49 3ihy h TYR 310 Cb 1.20 -0.08 -0.14 0.00 1.01 0.00 0.00 36.73 38.72 3ihy h TYR 310 CO 0.62 0.06 -0.21 1.49 -1.05 0.00 0.00 178.16 179.07 3ihy h GLU 311 N 0.40 -0.02 -0.28 4.88 4.81 -2.00 -1.86 114.58 120.51 3ihy h GLU 311 Ca 0.36 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 3ihy h GLU 311 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3ihy h GLU 311 CO -0.37 -0.01 -0.26 0.93 -0.73 0.00 0.00 179.01 178.56 3ihy h GLU 312 N -0.02 0.55 -0.12 1.92 5.08 -1.28 -2.77 114.58 117.95 3ihy h GLU 312 Ca 0.34 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3ihy h GLU 312 Cb 0.55 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ihy h GLU 312 CO -0.76 0.76 -0.18 1.96 -1.00 0.00 0.00 179.01 179.79 3ihy h GLN 313 N 0.48 0.33 -1.01 2.33 4.20 -0.85 -1.34 115.11 119.26 3ihy h GLN 313 Ca 0.07 -0.20 0.12 0.00 0.06 0.00 0.00 58.65 58.70 3ihy h GLN 313 Cb 0.70 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.42 3ihy h GLN 313 CO 0.05 0.78 0.64 -0.44 -0.67 0.00 0.00 178.83 179.19 3ihy h ASP 314 N -0.09 0.94 0.12 1.46 3.32 -1.34 0.90 116.42 121.74 3ihy h ASP 314 Ca 0.01 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3ihy h ASP 314 Cb 0.75 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3ihy h ASP 314 CO 0.04 0.51 -0.06 0.25 -1.72 0.00 0.00 179.24 178.26 3ihy h LEU 315 N 1.02 -0.14 -0.54 1.55 5.85 -1.34 0.31 115.31 122.01 3ihy h LEU 315 Ca 0.49 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3ihy h LEU 315 Cb 0.46 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3ihy h LEU 315 CO -0.26 0.06 0.30 0.58 -0.34 0.00 0.00 178.44 178.79 3ihy h VAL 316 N -0.33 1.00 -0.24 1.05 2.07 -0.80 -0.46 116.25 118.54 3ihy h VAL 316 Ca -0.02 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3ihy h VAL 316 Cb 0.27 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3ihy h VAL 316 CO 0.03 0.11 0.13 -0.25 0.02 0.00 0.00 177.57 177.61 3ihy h TRP 317 N 0.59 0.33 -0.26 1.57 2.91 -0.76 -1.71 115.95 118.62 3ihy h TRP 317 Ca 0.23 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.26 3ihy h TRP 317 Cb 0.10 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.62 3ihy h TRP 317 CO -0.08 0.28 0.14 -0.22 -1.03 0.00 0.00 178.44 177.53 3ihy h LYS 318 N 0.28 0.28 -0.89 2.65 3.64 -0.05 -2.98 116.57 119.51 3ihy h LYS 318 Ca 0.08 -0.02 -0.43 0.00 -1.27 0.00 0.00 60.65 59.01 3ihy h LYS 318 Cb 0.06 -0.06 -0.26 0.00 -0.41 0.00 0.00 32.23 31.56 3ihy h LYS 318 CO -0.01 0.19 0.52 1.19 -2.27 0.00 0.00 179.45 179.06 3ihy n PHE 319 N -4.96 2.76 -0.27 1.91 3.72 -0.21 -4.64 117.46 115.77 3ihy n PHE 319 Ca -0.02 -1.72 0.02 0.00 -0.05 0.00 0.00 57.45 55.69 3ihy n PHE 319 Cb 0.05 -0.86 0.23 0.00 -0.94 0.00 0.00 39.48 37.97 3ihy n PHE 319 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3ihy h ARG 320 N 1.27 1.02 0.61 -1.08 0.11 -1.14 -0.68 114.38 114.48 3ihy h ARG 320 Ca 0.53 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.52 3ihy h ARG 320 Cb 2.66 -0.23 0.01 0.00 1.11 0.00 0.00 29.97 33.51 3ihy h ARG 320 CO 0.97 0.67 -0.29 1.88 0.10 0.00 0.00 179.97 183.30 3ihy h TYR 321 N 1.05 -0.76 -1.02 4.08 0.05 -1.85 -1.64 116.97 116.88 3ihy h TYR 321 Ca 0.34 -0.02 0.36 0.00 0.05 0.00 0.00 58.73 59.46 3ihy h TYR 321 Cb 0.05 0.25 -0.16 0.00 1.01 0.00 0.00 36.73 37.88 3ihy h TYR 321 CO -0.00 -0.42 0.58 -0.92 -1.05 0.00 0.00 178.16 176.35 3ihy h TYR 322 N -1.03 0.87 0.00 4.88 3.20 -1.77 1.00 116.97 124.12 3ihy h TYR 322 Ca -0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3ihy h TYR 322 Cb 0.68 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3ihy h TYR 322 CO -0.00 -0.28 0.00 1.28 -1.64 0.00 0.00 178.16 177.52 3ihy n LEU 323 N -5.09 0.00 0.02 2.82 4.32 -0.28 -3.46 117.00 115.34 3ihy n LEU 323 Ca 0.34 0.43 0.12 0.00 -0.02 0.00 0.00 56.01 56.89 3ihy n LEU 323 Cb 1.11 -0.43 0.51 0.00 -1.62 0.00 0.00 43.42 43.00 3ihy n LEU 323 CO 0.08 -0.13 0.90 0.35 -1.22 0.00 0.00 177.39 177.36 3ihy n THR 324 N -1.43 0.35 1.24 -5.08 -2.24 0.34 -2.40 114.28 105.06 3ihy n THR 324 Ca 0.06 0.02 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 3ihy n THR 324 Cb 0.22 -0.66 0.51 0.00 -2.10 0.00 0.00 70.33 68.30 3ihy n THR 324 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ihy n ASN 325 N -1.66 0.49 -4.28 3.42 3.02 -1.22 -1.69 115.26 113.33 3ihy n ASN 325 Ca 0.06 -0.40 -0.45 0.00 -0.03 0.00 0.00 54.58 53.76 3ihy n ASN 325 Cb 0.31 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 3ihy n ASN 325 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3ihy s GLN 326 N -2.66 3.08 0.41 3.52 -0.21 -1.01 -4.92 119.66 117.87 3ihy s GLN 326 Ca 0.22 -2.04 0.25 0.00 0.02 0.00 0.00 55.36 53.82 3ihy s GLN 326 Cb 0.19 -4.24 1.33 0.00 1.00 0.00 0.00 33.01 31.29 3ihy s GLN 326 CO 0.53 -1.28 1.64 1.05 -2.12 0.00 0.00 175.29 175.11 3ihy h GLU 327 N 8.30 0.14 0.00 2.91 9.09 -1.82 0.33 114.58 133.53 3ihy h GLU 327 Ca -0.13 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.28 3ihy h GLU 327 Cb 1.06 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3ihy h GLU 327 CO 0.89 0.09 0.00 0.87 0.05 0.00 0.00 179.01 180.91 3ihy h LYS 328 N 0.14 0.00 0.00 1.06 1.79 -1.92 -3.17 116.57 114.47 3ihy h LYS 328 Ca 0.79 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 59.19 3ihy h LYS 328 Cb 2.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.92 3ihy h LYS 328 CO -0.49 0.00 -0.33 0.00 -1.08 0.00 0.00 179.45 177.55 3ihy h ALA 329 N 2.00 0.79 -0.70 3.86 0.00 -0.62 -3.36 119.26 121.23 3ihy h ALA 329 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 54.77 3ihy h ALA 329 Cb 0.56 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 3ihy h ALA 329 CO 0.00 0.40 0.01 1.25 0.00 0.00 0.00 179.25 180.92 3ihy h LEU 330 N 0.00 -0.30 -1.86 0.00 5.85 -1.64 -0.94 115.31 116.41 3ihy h LEU 330 Ca -0.00 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ihy h LEU 330 Cb 1.25 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 3ihy h LEU 330 CO 0.04 -0.15 -0.10 0.71 -0.34 0.00 0.00 178.44 178.61 3ihy h THR 331 N 0.12 0.98 0.10 1.05 1.35 -1.82 -1.56 112.91 113.13 3ihy h THR 331 Ca 0.38 -0.34 -0.17 0.00 -0.55 0.00 0.00 66.41 65.73 3ihy h THR 331 Cb 0.65 1.19 0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3ihy h THR 331 CO -0.61 0.09 -0.80 0.11 -0.25 0.00 0.00 175.52 174.07 3ihy h LYS 332 N 0.00 0.21 -1.00 4.72 1.79 -1.57 -3.23 116.57 117.48 3ihy h LYS 332 Ca -0.00 -0.35 0.27 0.00 -2.18 0.00 0.00 60.65 58.39 3ihy h LYS 332 Cb 0.18 0.13 -0.13 0.00 -1.58 0.00 0.00 32.23 30.83 3ihy h LYS 332 CO 0.01 1.17 0.58 0.35 -1.08 0.00 0.00 179.45 180.48 3ihy h PHE 333 N -0.53 0.98 -0.14 -1.35 3.57 -0.89 -1.41 116.94 117.17 3ihy h PHE 333 Ca -0.16 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.20 3ihy h PHE 333 Cb 1.51 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 3ihy h PHE 333 CO 0.19 -0.02 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.52 3ihy h LEU 334 N 0.49 0.62 -1.46 0.59 3.38 -1.39 -2.63 115.31 114.92 3ihy h LEU 334 Ca 0.67 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3ihy h LEU 334 Cb 1.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ihy h LEU 334 CO -0.52 1.11 0.00 0.11 0.09 0.00 0.00 178.44 179.23 3ihy h LYS 335 N 0.39 0.00 -0.00 1.13 1.57 -1.28 -2.93 116.57 115.44 3ihy h LYS 335 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ihy h LYS 335 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3ihy h LYS 335 CO 0.12 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 178.62 3ihy s VAL 337 N -2.73 4.67 -0.94 0.00 1.01 -1.11 -4.93 120.40 116.36 3ihy s VAL 337 Ca 0.18 1.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.89 3ihy s VAL 337 Cb 0.18 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 3ihy s VAL 337 CO 0.61 -0.21 2.16 0.20 0.00 0.00 0.00 175.10 177.86 3ihy s ASN 338 N 1.26 4.24 0.54 3.32 0.01 -1.26 -4.80 114.94 118.24 3ihy s ASN 338 Ca 0.44 -0.60 0.31 0.00 -0.71 0.00 0.00 52.86 52.30 3ihy s ASN 338 Cb -0.15 -2.57 1.47 0.00 0.41 0.00 0.00 41.25 40.42 3ihy s ASN 338 CO 0.07 -3.71 2.04 -0.50 -1.51 0.00 0.00 177.10 173.50 3ihy h TRP 339 N 11.69 0.00 0.00 2.20 4.06 -1.94 -2.81 115.95 129.15 3ihy h TRP 339 Ca 0.06 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 3ihy h TRP 339 Cb 0.99 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3ihy h TRP 339 CO 1.15 0.09 -0.09 0.38 -3.56 0.00 0.00 178.44 176.40 3ihy h ASP 340 N 0.00 0.00 -3.02 -3.49 2.03 -2.01 -3.41 116.42 106.51 3ihy h ASP 340 Ca -0.00 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.64 3ihy h ASP 340 Cb 0.42 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 38.76 3ihy h ASP 340 CO 0.01 0.09 0.29 -0.76 -1.03 0.00 0.00 179.24 177.85 3ihy s LEU 341 N -6.54 4.73 0.32 0.15 1.02 -1.06 -4.96 118.68 112.34 3ihy s LEU 341 Ca -0.00 -0.92 0.11 0.00 0.02 0.00 0.00 54.13 53.33 3ihy s LEU 341 Cb 0.10 -2.49 0.96 0.00 0.02 0.00 0.00 46.19 44.79 3ihy s LEU 341 CO 0.57 -1.15 1.67 -0.65 0.02 0.00 0.00 176.35 176.81 3ihy h PRO 342 N 9.24 0.32 0.00 1.29 0.11 -1.87 0.11 132.00 141.20 3ihy h PRO 342 Ca -0.28 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 3ihy h PRO 342 Cb 1.08 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3ihy h PRO 342 CO 1.07 0.21 -0.18 0.37 -0.21 0.00 0.00 178.00 179.27 3ihy h GLN 343 N 0.33 0.00 0.08 1.05 5.75 -1.94 -0.84 115.11 119.54 3ihy h GLN 343 Ca 0.68 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.83 3ihy h GLN 343 Cb 1.47 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.99 3ihy h GLN 343 CO -0.60 0.18 -1.96 -1.91 -2.65 0.00 0.00 178.83 171.89 3ihy n GLU 344 N -3.22 0.72 0.01 1.69 2.13 0.20 -2.36 120.64 119.81 3ihy n GLU 344 Ca 0.02 0.26 -0.10 0.00 0.66 0.00 0.00 57.16 58.00 3ihy n GLU 344 Cb 0.50 -1.72 -0.04 0.00 0.27 0.00 0.00 31.44 30.45 3ihy n GLU 344 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ihy h ALA 345 N 0.33 -0.02 -0.15 4.31 0.00 -0.77 -0.54 119.26 122.41 3ihy h ALA 345 Ca -0.40 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3ihy h ALA 345 Cb 2.03 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.95 3ihy h ALA 345 CO 0.08 -0.56 -0.25 -0.22 0.00 0.00 0.00 179.25 178.30 3ihy h LYS 346 N -0.12 -0.30 -0.52 0.00 3.64 -1.26 -2.29 116.57 115.72 3ihy h LYS 346 Ca 0.07 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3ihy h LYS 346 Cb 0.22 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 3ihy h LYS 346 CO -0.17 -0.20 0.10 1.96 -2.27 0.00 0.00 179.45 178.87 3ihy h GLN 347 N -0.31 0.23 -0.30 1.90 1.08 -1.16 0.72 115.11 117.26 3ihy h GLN 347 Ca 0.11 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 3ihy h GLN 347 Cb 0.47 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3ihy h GLN 347 CO -0.33 0.15 -0.22 0.00 -0.95 0.00 0.00 178.83 177.48 3ihy h ALA 348 N 1.42 1.05 -0.07 3.87 0.00 -0.75 -0.01 119.26 124.76 3ihy h ALA 348 Ca 0.27 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3ihy h ALA 348 Cb 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ihy h ALA 348 CO -0.35 0.58 -0.79 -0.07 0.00 0.00 0.00 179.25 178.61 3ihy h LEU 349 N 0.51 0.57 -0.69 0.00 3.38 -1.09 0.57 115.31 118.56 3ihy h LEU 349 Ca 0.08 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.73 3ihy h LEU 349 Cb 0.66 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3ihy h LEU 349 CO 0.05 1.15 0.36 -0.33 0.09 0.00 0.00 178.44 179.76 3ihy h GLU 350 N 0.31 0.61 0.02 1.13 5.08 -0.11 -2.66 114.58 118.95 3ihy h GLU 350 Ca -0.05 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 3ihy h GLU 350 Cb 1.39 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.52 3ihy h GLU 350 CO 0.14 0.41 -0.93 1.25 -1.00 0.00 0.00 179.01 178.88 3ihy h LEU 351 N 0.63 0.78 -0.98 1.33 5.85 -0.93 -3.14 115.31 118.86 3ihy h LEU 351 Ca 0.33 -0.76 0.28 0.00 0.84 0.00 0.00 57.88 58.57 3ihy h LEU 351 Cb 0.30 -0.24 -0.14 0.00 0.37 0.00 0.00 40.66 40.95 3ihy h LEU 351 CO -0.23 1.45 0.54 0.25 -0.34 0.00 0.00 178.44 180.10 3ihy h LEU 352 N 0.21 0.52 -0.90 2.25 5.85 -0.54 0.59 115.31 123.28 3ihy h LEU 352 Ca -0.12 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ihy h LEU 352 Cb 1.61 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3ihy h LEU 352 CO 0.18 -0.04 -0.29 1.23 -0.34 0.00 0.00 178.44 179.18 3ihy h GLY 353 N 0.41 0.00 0.48 3.75 0.00 -1.46 -3.15 103.07 103.10 3ihy h GLY 353 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 3ihy h GLY 353 CO -0.56 0.00 -0.56 0.28 0.00 0.00 0.00 176.54 175.70 3ihy n LYS 354 N -3.40 0.26 -2.15 4.80 4.76 0.19 -4.95 118.16 117.66 3ihy n LYS 354 Ca 0.00 -0.17 -0.37 0.00 -2.87 0.00 0.00 58.31 54.91 3ihy n LYS 354 Cb 0.49 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 3ihy n LYS 354 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 3ihy s TRP 355 N -2.86 2.67 -0.03 2.13 -0.11 -0.08 -4.92 118.94 115.73 3ihy s TRP 355 Ca 0.14 1.51 -0.37 0.00 1.22 0.00 0.00 56.10 58.60 3ihy s TRP 355 Cb 0.18 -3.44 -0.15 0.00 -1.50 0.00 0.00 33.47 28.56 3ihy s TRP 355 CO 0.69 -1.83 1.57 1.17 -4.62 0.00 0.00 176.95 173.93 3ihy n LYS 356 N -0.92 1.47 -2.08 5.86 4.81 -0.68 -4.88 118.16 121.74 3ihy n LYS 356 Ca 0.10 0.53 -0.37 0.00 -0.87 0.00 0.00 58.31 57.70 3ihy n LYS 356 Cb 0.48 -2.24 0.02 0.00 0.02 0.00 0.00 35.03 33.31 3ihy n LYS 356 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3ihy s PRO 357 N 1.93 3.33 0.34 1.64 0.02 -1.26 -4.47 135.00 136.52 3ihy s PRO 357 Ca 0.89 1.87 -0.13 0.00 0.02 0.00 0.00 61.00 63.65 3ihy s PRO 357 Cb -0.90 -2.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.36 3ihy s PRO 357 CO 0.51 -0.93 0.72 0.00 -0.33 0.00 0.00 177.00 176.97 3ihy s MET 358 N -3.01 3.90 0.85 5.54 0.23 -1.26 -4.77 119.30 120.79 3ihy s MET 358 Ca 0.71 0.55 -0.12 0.00 -1.03 0.00 0.00 55.69 55.79 3ihy s MET 358 Cb -0.31 -2.45 0.10 0.00 -1.53 0.00 0.00 34.83 30.64 3ihy s MET 358 CO 0.36 0.12 1.13 -0.25 -2.03 0.00 0.00 175.02 174.35 3ihy n ASP 359 N -0.63 0.59 -0.32 -1.18 8.00 -1.26 -4.89 116.55 116.86 3ihy n ASP 359 Ca 0.03 0.51 -0.03 0.00 0.71 0.00 0.00 54.79 56.02 3ihy n ASP 359 Cb 0.53 -1.48 0.10 0.00 -0.02 0.00 0.00 41.12 40.25 3ihy n ASP 359 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ihy h VAL 360 N -1.29 1.19 -0.93 2.53 2.07 -1.97 -2.82 116.25 115.02 3ihy h VAL 360 Ca -0.45 -0.39 0.24 0.00 0.82 0.00 0.00 66.70 66.92 3ihy h VAL 360 Cb 1.29 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3ihy h VAL 360 CO 0.43 0.21 0.63 1.05 0.02 0.00 0.00 177.57 179.92 3ihy h GLU 361 N 1.15 0.24 0.00 1.57 4.11 -1.96 -1.74 114.58 117.95 3ihy h GLU 361 Ca 0.33 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.54 3ihy h GLU 361 Cb -0.08 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3ihy h GLU 361 CO -0.09 0.16 -1.38 -0.44 0.07 0.00 0.00 179.01 177.33 3ihy h ASP 362 N 0.25 0.00 -0.48 3.06 5.19 -1.87 -3.29 116.42 119.27 3ihy h ASP 362 Ca 0.48 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.96 3ihy h ASP 362 Cb 1.45 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.94 3ihy h ASP 362 CO -0.13 0.75 0.33 0.77 -3.12 0.00 0.00 179.24 177.84 3ihy h SER 363 N 0.00 0.31 -0.91 6.45 4.64 -1.27 -0.90 113.55 121.87 3ihy h SER 363 Ca -0.17 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.25 3ihy h SER 363 Cb 1.73 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 63.69 3ihy h SER 363 CO 0.07 0.20 0.58 -0.07 -0.87 0.00 0.00 176.83 176.74 3ihy h LEU 364 N 0.35 0.80 -0.73 5.97 3.38 -1.61 -1.53 115.31 121.92 3ihy h LEU 364 Ca 0.22 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3ihy h LEU 364 Cb 0.41 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3ihy h LEU 364 CO -0.05 0.46 0.43 -0.08 0.09 0.00 0.00 178.44 179.28 3ihy h GLU 365 N 0.87 1.01 0.00 1.13 4.81 -1.35 -2.82 114.58 118.24 3ihy h GLU 365 Ca 0.43 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3ihy h GLU 365 Cb 0.46 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3ihy h GLU 365 CO -0.19 0.73 0.00 1.28 -0.73 0.00 0.00 179.01 180.10 3ihy n LEU 366 N -4.50 0.04 -0.81 1.64 4.77 -0.59 -1.52 117.00 116.03 3ihy n LEU 366 Ca 0.07 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 3ihy n LEU 366 Cb 0.07 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 40.76 3ihy n LEU 366 CO 0.37 -0.29 0.57 0.18 -1.33 0.00 0.00 177.39 176.89 3ihy n LEU 367 N -1.55 2.66 -4.74 2.23 4.77 -1.07 -4.62 117.00 114.68 3ihy n LEU 367 Ca 0.03 -0.90 -0.29 0.00 -0.03 0.00 0.00 56.01 54.82 3ihy n LEU 367 Cb 0.16 -0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.43 3ihy n LEU 367 CO 0.13 0.45 0.71 -0.94 -1.33 0.00 0.00 177.39 176.41 3ihy s SER 368 N -2.12 2.51 0.57 -1.43 1.04 -0.57 -4.87 113.70 108.83 3ihy s SER 368 Ca 0.26 0.74 0.35 0.00 0.48 0.00 0.00 55.95 57.78 3ihy s SER 368 Cb 0.20 -1.11 1.62 0.00 0.10 0.00 0.00 66.02 66.82 3ihy s SER 368 CO 0.37 -3.15 2.09 0.77 0.98 0.00 0.00 173.24 174.30 3ihy h SER 369 N -1.91 0.00 0.00 7.02 4.64 -1.88 -3.14 113.55 118.28 3ihy h SER 369 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ihy h SER 369 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3ihy h SER 369 CO 0.48 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 177.89 3ihy n HIS 370 N -3.19 0.00 -3.88 4.77 8.25 -1.26 -4.54 115.22 115.37 3ihy n HIS 370 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 3ihy n HIS 370 Cb 0.25 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.19 3ihy n HIS 370 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3ihy s TYR 371 N -2.00 1.63 -0.50 4.41 2.02 -1.19 -4.99 117.35 116.73 3ihy s TYR 371 Ca 0.22 -1.04 0.07 0.00 -0.37 0.00 0.00 57.07 55.96 3ihy s TYR 371 Cb 0.10 -1.28 -0.05 0.00 -0.40 0.00 0.00 41.96 40.34 3ihy s TYR 371 CO 0.17 -0.60 0.41 0.25 -1.57 0.00 0.00 175.55 174.21 3ihy n THR 372 N 4.89 0.00 -2.00 -0.71 -2.24 -1.26 -4.89 114.28 108.07 3ihy n THR 372 Ca -0.12 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 3ihy n THR 372 Cb 0.48 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 3ihy n THR 372 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ihy s ASN 373 N -1.46 6.65 0.17 3.42 3.84 -1.26 -4.92 114.94 121.38 3ihy s ASN 373 Ca 0.04 2.23 -0.19 0.00 0.21 0.00 0.00 52.86 55.15 3ihy s ASN 373 Cb 0.06 -2.53 0.11 0.00 -0.55 0.00 0.00 41.25 38.33 3ihy s ASN 373 CO 0.25 -0.94 1.63 -0.65 -2.79 0.00 0.00 177.10 174.61 3ihy h PRO 374 N 9.60 -0.11 -0.99 0.43 0.11 -1.99 0.13 132.00 139.18 3ihy h PRO 374 Ca -0.39 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.77 3ihy h PRO 374 Cb 1.18 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3ihy h PRO 374 CO 0.95 -0.07 0.65 1.15 -0.21 0.00 0.00 178.00 180.47 3ihy h THR 375 N -0.12 1.14 0.15 -1.15 2.02 -1.99 0.07 112.91 113.04 3ihy h THR 375 Ca 0.20 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3ihy h THR 375 Cb 0.43 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3ihy h THR 375 CO -0.50 0.22 -0.07 0.58 0.37 0.00 0.00 175.52 176.12 3ihy h VAL 376 N 1.22 0.99 -0.85 3.16 2.07 -1.70 0.48 116.25 121.61 3ihy h VAL 376 Ca 0.40 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3ihy h VAL 376 Cb 0.06 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3ihy h VAL 376 CO -0.14 0.17 0.56 0.03 0.02 0.00 0.00 177.57 178.21 3ihy h ARG 377 N -0.57 0.98 -0.44 1.57 3.08 -0.42 -1.02 114.38 117.56 3ihy h ARG 377 Ca -0.02 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 3ihy h ARG 377 Cb 0.44 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3ihy h ARG 377 CO 0.03 0.65 -0.24 0.00 -1.07 0.00 0.00 179.97 179.35 3ihy h ARG 378 N 1.01 0.94 -0.81 0.04 3.08 -0.92 -1.81 114.38 115.91 3ihy h ARG 378 Ca 0.35 -0.42 0.16 0.00 0.07 0.00 0.00 59.98 60.14 3ihy h ARG 378 Cb 0.11 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.04 3ihy h ARG 378 CO -0.11 1.08 0.35 -0.92 -1.07 0.00 0.00 179.97 179.30 3ihy h TYR 379 N 0.78 0.60 -0.51 3.04 3.20 0.35 0.89 116.97 125.31 3ihy h TYR 379 Ca 0.10 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3ihy h TYR 379 Cb 0.81 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3ihy h TYR 379 CO 0.06 0.07 -0.03 0.00 -1.64 0.00 0.00 178.16 176.61 3ihy h ALA 380 N 1.58 0.70 -0.43 1.82 0.00 -0.90 -0.54 119.26 121.49 3ihy h ALA 380 Ca 0.46 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ihy h ALA 380 Cb 0.72 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ihy h ALA 380 CO -0.42 0.54 0.26 0.28 0.00 0.00 0.00 179.25 179.91 3ihy h VAL 381 N 0.80 1.06 -0.83 0.00 2.07 -0.83 -1.38 116.25 117.14 3ihy h VAL 381 Ca 0.14 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.63 3ihy h VAL 381 Cb 0.57 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 3ihy h VAL 381 CO 0.03 0.10 0.40 0.00 0.02 0.00 0.00 177.57 178.12 3ihy h ALA 382 N 1.19 1.23 0.00 1.67 0.00 -0.23 0.66 119.26 123.78 3ihy h ALA 382 Ca 0.17 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3ihy h ALA 382 Cb -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ihy h ALA 382 CO -0.07 -0.12 -0.29 0.00 0.00 0.00 0.00 179.25 178.76 3ihy h ARG 383 N 0.58 0.00 -0.07 0.00 2.47 -0.84 -3.01 114.38 113.51 3ihy h ARG 383 Ca 0.45 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 59.00 3ihy h ARG 383 Cb 0.65 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 3ihy h ARG 383 CO -0.37 0.29 -0.69 -0.07 0.56 0.00 0.00 179.97 179.69 3ihy h LEU 384 N 0.00 0.37 0.00 3.04 3.38 0.22 -3.16 115.31 119.15 3ihy h LEU 384 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ihy h LEU 384 Cb 0.97 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ihy h LEU 384 CO 0.04 0.95 0.00 0.54 0.09 0.00 0.00 178.44 180.05 3ihy n ARG 385 N -3.83 0.00 -0.00 1.13 1.74 -0.43 -0.79 116.66 114.48 3ihy n ARG 385 Ca -0.03 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.12 3ihy n ARG 385 Cb 0.68 -1.31 -0.09 0.00 -1.02 0.00 0.00 32.46 30.72 3ihy n ARG 385 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ihy n GLN 386 N -0.68 1.65 -2.97 5.56 1.13 -1.20 -4.95 117.38 115.93 3ihy n GLN 386 Ca 0.00 -0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.66 3ihy n GLN 386 Cb 0.00 -1.26 -0.06 0.00 0.11 0.00 0.00 30.24 29.03 3ihy n GLN 386 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ihy s ALA 387 N -2.53 3.41 0.94 -1.58 0.00 0.03 -5.06 121.76 116.97 3ihy s ALA 387 Ca 0.06 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 3ihy s ALA 387 Cb 0.12 -2.99 0.15 0.00 0.00 0.00 0.00 23.12 20.41 3ihy s ALA 387 CO 0.66 0.19 1.12 0.16 0.00 0.00 0.00 175.76 177.90 3ihy s ASP 388 N -0.68 3.23 0.48 0.00 -4.77 -1.26 -4.75 116.67 108.92 3ihy s ASP 388 Ca 0.37 1.05 0.17 0.00 -3.30 0.00 0.00 52.55 50.84 3ihy s ASP 388 Cb -0.22 -1.66 1.15 0.00 -1.09 0.00 0.00 42.92 41.11 3ihy s ASP 388 CO 0.25 -2.73 2.05 0.44 0.70 0.00 0.00 175.17 175.88 3ihy h ASP 389 N -1.62 0.00 0.72 2.11 3.32 -1.98 -0.94 116.42 118.02 3ihy h ASP 389 Ca -0.52 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 3ihy h ASP 389 Cb 1.33 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.89 3ihy h ASP 389 CO 0.60 0.12 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.57 3ihy h GLU 390 N 0.00 -0.93 -0.92 3.56 5.08 -2.00 -2.33 114.58 117.04 3ihy h GLU 390 Ca -0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3ihy h GLU 390 Cb 0.23 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3ihy h GLU 390 CO 0.02 -0.60 0.53 -0.44 -1.00 0.00 0.00 179.01 177.52 3ihy h ASP 391 N -1.07 1.13 -0.47 1.42 3.32 -1.85 -2.24 116.42 116.65 3ihy h ASP 391 Ca -0.10 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.87 3ihy h ASP 391 Cb 0.76 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3ihy h ASP 391 CO 0.16 0.89 0.31 0.25 -1.72 0.00 0.00 179.24 179.13 3ihy h LEU 392 N 1.28 0.54 -0.64 1.55 5.85 -1.18 -2.66 115.31 120.04 3ihy h LEU 392 Ca 0.33 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.89 3ihy h LEU 392 Cb -0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3ihy h LEU 392 CO -0.06 0.39 -0.58 0.25 -0.34 0.00 0.00 178.44 178.10 3ihy h LEU 393 N 0.63 0.34 -2.02 2.25 5.85 -0.82 -1.83 115.31 119.71 3ihy h LEU 393 Ca 0.17 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3ihy h LEU 393 Cb -0.07 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 3ihy h LEU 393 CO -0.04 0.85 -0.09 0.24 -0.34 0.00 0.00 178.44 179.06 3ihy h MET 394 N 0.23 0.00 0.00 1.25 0.00 -1.33 -3.01 114.93 112.06 3ihy h MET 394 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 3ihy h MET 394 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.69 3ihy h MET 394 CO 0.09 0.09 -1.23 0.66 0.00 0.00 0.00 176.91 176.53 3ihy n TYR 395 N -3.59 0.12 -0.09 -0.22 4.01 -0.91 -4.69 117.16 111.78 3ihy n TYR 395 Ca -0.02 0.03 -0.06 0.00 -0.16 0.00 0.00 57.90 57.70 3ihy n TYR 395 Cb 0.21 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3ihy n TYR 395 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3ihy h LEU 396 N 0.00 -0.49 -0.82 7.72 5.85 -1.21 -1.62 115.31 124.75 3ihy h LEU 396 Ca 0.00 0.12 0.18 0.00 0.84 0.00 0.00 57.88 59.03 3ihy h LEU 396 Cb 0.71 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.91 3ihy h LEU 396 CO 0.00 -0.18 0.29 0.25 -0.34 0.00 0.00 178.44 178.46 3ihy h LEU 397 N -0.08 0.18 -0.05 2.25 5.85 -1.84 0.48 115.31 122.11 3ihy h LEU 397 Ca 0.17 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 3ihy h LEU 397 Cb 0.34 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3ihy h LEU 397 CO -0.40 -0.00 -0.13 1.56 -0.34 0.00 0.00 178.44 179.13 3ihy h GLN 398 N 0.35 0.17 -1.14 1.25 7.50 -1.66 -2.84 115.11 118.74 3ihy h GLN 398 Ca 0.48 -0.12 0.32 0.00 0.50 0.00 0.00 58.65 59.83 3ihy h GLN 398 Cb 0.86 0.02 -0.09 0.00 0.05 0.00 0.00 27.48 28.31 3ihy h GLN 398 CO -0.51 0.73 0.75 -0.07 -1.50 0.00 0.00 178.83 178.23 3ihy h LEU 399 N -0.37 0.31 -0.10 1.46 3.38 -0.66 0.35 115.31 119.68 3ihy h LEU 399 Ca -0.00 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3ihy h LEU 399 Cb 0.74 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3ihy h LEU 399 CO 0.03 0.01 -0.31 0.58 0.09 0.00 0.00 178.44 178.84 3ihy h VAL 400 N 0.25 1.39 -0.87 1.22 2.07 -0.71 -2.37 116.25 117.24 3ihy h VAL 400 Ca 0.64 -1.64 0.10 0.00 0.82 0.00 0.00 66.70 66.63 3ihy h VAL 400 Cb 1.90 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 33.77 3ihy h VAL 400 CO -0.26 0.48 0.56 1.56 0.02 0.00 0.00 177.57 179.92 3ihy h GLN 401 N -0.05 0.79 -0.03 1.57 1.08 -0.98 -2.36 115.11 115.13 3ihy h GLN 401 Ca -0.01 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3ihy h GLN 401 Cb 0.93 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 3ihy h GLN 401 CO 0.07 0.52 0.06 0.00 -0.95 0.00 0.00 178.83 178.53 3ihy h ALA 402 N 1.57 1.32 -0.45 3.87 0.00 0.19 -1.30 119.26 124.46 3ihy h ALA 402 Ca 0.41 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.40 3ihy h ALA 402 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ihy h ALA 402 CO -0.17 -0.07 0.31 -0.07 0.00 0.00 0.00 179.25 179.25 3ihy h LEU 403 N 0.00 0.22 -1.68 0.00 3.38 -1.35 -1.50 115.31 114.38 3ihy h LEU 403 Ca 0.01 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.22 3ihy h LEU 403 Cb 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3ihy h LEU 403 CO -0.00 0.14 0.63 0.11 0.09 0.00 0.00 178.44 179.41 3ihy h LYS 404 N 0.25 0.23 -0.64 1.13 1.57 -1.43 -0.35 116.57 117.32 3ihy h LYS 404 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3ihy h LYS 404 Cb 0.50 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ihy h LYS 404 CO -0.04 0.15 0.00 0.66 -0.57 0.00 0.00 179.45 179.65 3ihy n TYR 405 N -4.43 1.31 -2.63 -1.35 4.01 -0.56 -4.94 117.16 108.57 3ihy n TYR 405 Ca 0.20 -0.53 -0.22 0.00 -0.16 0.00 0.00 57.90 57.20 3ihy n TYR 405 Cb 0.84 -0.22 0.05 0.00 -0.31 0.00 0.00 39.34 39.71 3ihy n TYR 405 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ihy s GLU 406 N -1.79 2.36 -0.20 -0.72 0.41 -0.14 -4.97 118.70 113.65 3ihy s GLU 406 Ca 0.45 -0.86 -0.29 0.00 -0.41 0.00 0.00 54.97 53.86 3ihy s GLU 406 Cb 0.29 -2.46 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 3ihy s GLU 406 CO 0.22 -0.87 1.11 1.21 -0.49 0.00 0.00 175.26 176.45 3ihy s ASN 407 N -4.49 7.06 -0.06 -0.19 3.84 -1.26 -4.97 114.94 114.86 3ihy s ASN 407 Ca 0.59 1.50 -0.24 0.00 0.21 0.00 0.00 52.86 54.92 3ihy s ASN 407 Cb -0.09 -2.54 -0.28 0.00 -0.55 0.00 0.00 41.25 37.79 3ihy s ASN 407 CO 0.40 -0.68 0.92 -0.26 -2.79 0.00 0.00 177.10 174.68 3ihy h PHE 408 N 7.67 0.38 -0.84 0.43 -1.00 -1.96 -3.01 116.94 118.61 3ihy h PHE 408 Ca -0.22 -0.25 0.12 0.00 2.81 0.00 0.00 57.97 60.43 3ihy h PHE 408 Cb 1.08 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 40.56 3ihy h PHE 408 CO 0.76 1.15 0.55 -0.44 -1.61 0.00 0.00 178.31 178.72 3ihy h ASP 409 N -0.50 0.64 -0.11 2.17 3.32 -1.98 0.17 116.42 120.12 3ihy h ASP 409 Ca -0.08 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.03 3ihy h ASP 409 Cb 1.34 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 3ihy h ASP 409 CO 0.10 0.35 -0.12 0.44 -1.72 0.00 0.00 179.24 178.28 3ihy h ASP 410 N 0.69 -0.38 -0.53 6.45 5.19 -1.97 -0.30 116.42 125.57 3ihy h ASP 410 Ca 0.41 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.85 3ihy h ASP 410 Cb 0.61 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 3ihy h ASP 410 CO -0.17 -0.16 0.19 0.40 -3.12 0.00 0.00 179.24 176.38 3ihy h ILE 411 N -0.15 1.23 -0.28 0.35 2.04 -0.75 -2.64 117.51 117.30 3ihy h ILE 411 Ca 0.08 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3ihy h ILE 411 Cb 0.27 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3ihy h ILE 411 CO -0.21 0.27 0.09 0.50 0.00 0.00 0.00 178.15 178.81 3ihy h LYS 412 N 0.72 0.44 0.00 2.37 3.64 -0.73 -3.18 116.57 119.84 3ihy h LYS 412 Ca 0.17 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ihy h LYS 412 Cb 0.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ihy h LYS 412 CO -0.01 0.49 0.00 0.09 -2.27 0.00 0.00 179.45 177.75 3ihy n ASN 413 N -4.72 0.25 0.00 4.20 3.02 -0.13 -1.00 115.26 116.89 3ihy n ASN 413 Ca -0.02 0.56 0.05 0.00 -0.03 0.00 0.00 54.58 55.14 3ihy n ASN 413 Cb 0.16 -0.61 0.26 0.00 -0.61 0.00 0.00 39.78 38.98 3ihy n ASN 413 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihy n GLY 414 N 0.07 -0.61 3.76 7.41 0.00 -1.03 -4.75 105.19 110.04 3ihy n GLY 414 Ca 0.03 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3ihy n GLY 414 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihy s LEU 415 N -2.54 4.52 0.19 0.99 1.43 -0.17 -4.98 118.68 118.12 3ihy s LEU 415 Ca 0.10 1.54 -0.22 0.00 -1.03 0.00 0.00 54.13 54.52 3ihy s LEU 415 Cb 0.07 -3.25 0.10 0.00 0.03 0.00 0.00 46.19 43.14 3ihy s LEU 415 CO 0.16 0.12 1.57 -0.08 0.23 0.00 0.00 176.35 178.35 3ihy h GLU 416 N 4.98 -0.15 0.00 1.70 4.57 -1.89 -3.52 114.58 120.28 3ihy h GLU 416 Ca -0.46 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3ihy h GLU 416 Cb 1.21 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3ihy h GLU 416 CO 0.68 -0.10 0.00 -2.30 -1.18 0.00 0.00 179.01 176.11 3ihy n PRO 417 N -5.42 0.00 -4.09 0.92 -0.02 -1.26 -5.19 135.00 119.93 3ihy n PRO 417 Ca 0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.17 3ihy n PRO 417 Cb 0.36 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.72 3ihy n PRO 417 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ihy s GLN 473 N -1.59 3.72 0.60 -0.52 -0.21 -1.26 -5.27 119.66 115.13 3ihy s GLN 473 Ca 0.00 -0.47 0.10 0.00 0.02 0.00 0.00 55.36 55.00 3ihy s GLN 473 Cb 0.00 -3.11 0.10 0.00 1.00 0.00 0.00 33.01 31.00 3ihy s GLN 473 CO 0.00 0.10 0.80 0.16 -2.12 0.00 0.00 175.29 174.23 3ihy s ASP 474 N 0.80 4.99 0.18 5.90 1.47 -1.26 -4.78 116.67 123.97 3ihy s ASP 474 Ca 0.01 -0.94 -0.13 0.00 1.18 0.00 0.00 52.55 52.68 3ihy s ASP 474 Cb -0.14 0.45 0.16 0.00 -0.34 0.00 0.00 42.92 43.04 3ihy s ASP 474 CO 0.02 -1.41 1.78 0.25 0.68 0.00 0.00 175.17 176.49 3ihy h LEU 475 N 0.14 0.35 -0.35 2.11 5.85 -1.98 0.02 115.31 121.45 3ihy h LEU 475 Ca -0.29 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3ihy h LEU 475 Cb 1.29 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3ihy h LEU 475 CO 0.41 0.24 0.17 0.00 -0.34 0.00 0.00 178.44 178.92 3ihy h THR 477 N 0.44 1.26 0.45 0.00 2.02 -1.90 -2.77 112.91 112.41 3ihy h THR 477 Ca 0.12 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 3ihy h THR 477 Cb 0.11 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3ihy h THR 477 CO -0.02 0.39 -0.22 0.15 0.37 0.00 0.00 175.52 176.19 3ihy h PHE 478 N 0.99 -0.56 -0.43 3.16 3.57 -0.72 -0.34 116.94 122.61 3ihy h PHE 478 Ca 0.20 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3ihy h PHE 478 Cb 0.45 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 3ihy h PHE 478 CO 0.03 -0.24 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.72 3ihy h LEU 479 N -0.87 -0.36 -0.01 0.59 3.38 -1.38 -0.98 115.31 115.68 3ihy h LEU 479 Ca -0.06 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ihy h LEU 479 Cb 0.57 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3ihy h LEU 479 CO 0.10 -0.13 -0.11 0.40 0.09 0.00 0.00 178.44 178.79 3ihy h ILE 480 N 0.02 0.71 -0.67 1.22 2.04 -1.34 0.42 117.51 119.91 3ihy h ILE 480 Ca 0.21 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.21 3ihy h ILE 480 Cb 0.32 0.71 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 3ihy h ILE 480 CO -0.43 0.00 0.14 -1.28 0.00 0.00 0.00 178.15 176.59 3ihy h SER 481 N -0.18 -0.01 0.22 1.72 0.87 -0.46 0.15 113.55 115.86 3ihy h SER 481 Ca 0.05 0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.55 3ihy h SER 481 Cb 0.24 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3ihy h SER 481 CO -0.12 -0.02 -0.72 0.03 -0.53 0.00 0.00 176.83 175.46 3ihy h ARG 482 N 0.26 0.43 -0.85 2.24 2.47 -0.44 -2.89 114.38 115.60 3ihy h ARG 482 Ca 0.37 -0.35 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 3ihy h ARG 482 Cb 0.59 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.94 3ihy h ARG 482 CO -0.47 0.98 0.56 0.00 0.56 0.00 0.00 179.97 181.61 3ihy h ALA 483 N 0.92 1.47 -0.12 0.04 0.00 0.11 -2.11 119.26 119.57 3ihy h ALA 483 Ca -0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3ihy h ALA 483 Cb 1.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ihy h ALA 483 CO 0.13 0.44 -0.36 0.00 0.00 0.00 0.00 179.25 179.45 3ihy n LYS 485 N -4.07 1.39 -3.66 0.00 5.02 -0.87 -4.84 118.16 111.13 3ihy n LYS 485 Ca -0.01 -0.70 -0.08 0.00 -2.02 0.00 0.00 58.31 55.49 3ihy n LYS 485 Cb 0.44 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.87 3ihy n LYS 485 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ihy s ASN 486 N -2.10 -0.30 0.24 4.39 3.84 -0.85 -5.04 114.94 115.12 3ihy s ASN 486 Ca 0.37 1.01 0.13 0.00 0.21 0.00 0.00 52.86 54.58 3ihy s ASN 486 Cb 0.21 1.35 0.05 0.00 -0.55 0.00 0.00 41.25 42.31 3ihy s ASN 486 CO 0.37 -0.23 1.43 0.77 -2.79 0.00 0.00 177.10 176.65 3ihy h SER 487 N 8.11 0.00 -0.06 -4.21 4.64 -1.88 -0.68 113.55 119.46 3ihy h SER 487 Ca -0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3ihy h SER 487 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3ihy h SER 487 CO 0.13 0.66 0.02 0.74 -0.87 0.00 0.00 176.83 177.50 3ihy h THR 488 N 0.00 1.18 -0.43 2.95 2.02 -1.95 -1.98 112.91 114.69 3ihy h THR 488 Ca -0.01 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.69 3ihy h THR 488 Cb 1.45 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 3ihy h THR 488 CO 0.09 0.15 0.18 -0.07 0.37 0.00 0.00 175.52 176.23 3ihy h LEU 489 N -0.10 0.22 -0.90 2.58 3.38 -1.86 -2.06 115.31 116.58 3ihy h LEU 489 Ca 0.02 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.15 3ihy h LEU 489 Cb 0.22 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 3ihy h LEU 489 CO -0.00 0.16 0.52 0.00 0.09 0.00 0.00 178.44 179.21 3ihy h ALA 490 N 1.26 1.34 0.12 1.53 0.00 -1.00 0.11 119.26 122.62 3ihy h ALA 490 Ca 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ihy h ALA 490 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ihy h ALA 490 CO -0.18 0.08 -0.06 -0.97 0.00 0.00 0.00 179.25 178.12 3ihy h ASN 491 N 0.81 -0.14 -0.59 0.00 -1.24 -0.65 -1.35 115.58 112.41 3ihy h ASN 491 Ca 0.46 -0.31 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 3ihy h ASN 491 Cb 0.51 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 3ihy h ASN 491 CO -0.29 0.26 0.29 1.88 -1.29 0.00 0.00 177.43 178.28 3ihy h TYR 492 N -0.57 0.84 -0.92 0.67 0.05 -1.33 -2.11 116.97 113.60 3ihy h TYR 492 Ca -0.02 -0.04 0.11 0.00 0.05 0.00 0.00 58.73 58.83 3ihy h TYR 492 Cb 0.45 -0.26 -0.08 0.00 1.01 0.00 0.00 36.73 37.84 3ihy h TYR 492 CO 0.05 0.64 0.56 1.25 -1.05 0.00 0.00 178.16 179.61 3ihy h LEU 493 N 0.81 0.82 0.14 3.88 5.85 -0.72 0.19 115.31 126.27 3ihy h LEU 493 Ca 0.20 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3ihy h LEU 493 Cb 0.10 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3ihy h LEU 493 CO -0.03 0.45 -0.07 0.22 -0.34 0.00 0.00 178.44 178.67 3ihy h TYR 494 N 0.91 -0.18 -0.79 1.25 5.03 -0.94 -2.02 116.97 120.23 3ihy h TYR 494 Ca 0.45 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.73 3ihy h TYR 494 Cb 0.42 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.72 3ihy h TYR 494 CO -0.03 0.18 0.42 -1.49 -1.32 0.00 0.00 178.16 175.92 3ihy h TRP 495 N -0.58 1.10 -0.57 -3.82 4.06 -1.06 0.35 115.95 115.44 3ihy h TRP 495 Ca -0.02 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.82 3ihy h TRP 495 Cb 0.45 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3ihy h TRP 495 CO 0.05 0.78 0.07 1.88 -3.56 0.00 0.00 178.44 177.66 3ihy h TYR 496 N 1.10 0.99 -0.05 0.49 0.05 -0.65 -1.23 116.97 117.68 3ihy h TYR 496 Ca 0.28 -0.13 -0.20 0.00 0.05 0.00 0.00 58.73 58.72 3ihy h TYR 496 Cb 0.06 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.53 3ihy h TYR 496 CO 0.01 0.86 -0.81 0.28 -1.05 0.00 0.00 178.16 177.44 3ihy h VAL 497 N 0.88 1.39 -0.62 -2.88 2.07 -0.95 -2.69 116.25 113.45 3ihy h VAL 497 Ca 0.18 -2.27 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 3ihy h VAL 497 Cb 0.42 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3ihy h VAL 497 CO 0.01 0.68 0.31 0.40 0.02 0.00 0.00 177.57 179.00 3ihy h ILE 498 N 0.26 1.21 -0.18 4.57 1.08 0.16 -0.83 117.51 123.77 3ihy h ILE 498 Ca -0.05 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 3ihy h ILE 498 Cb 1.42 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 3ihy h ILE 498 CO 0.14 0.24 0.07 0.58 -0.69 0.00 0.00 178.15 178.49 3ihy h VAL 499 N 0.85 1.17 -0.68 1.67 2.07 -1.21 -2.07 116.25 118.05 3ihy h VAL 499 Ca 0.22 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.34 3ihy h VAL 499 Cb 0.09 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 3ihy h VAL 499 CO -0.03 0.16 0.22 -0.33 0.02 0.00 0.00 177.57 177.62 3ihy h GLU 500 N 0.13 0.35 -0.02 1.57 4.39 -1.19 -0.53 114.58 119.29 3ihy h GLU 500 Ca 0.06 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3ihy h GLU 500 Cb 0.20 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3ihy h GLU 500 CO -0.00 0.23 -0.10 0.00 -1.16 0.00 0.00 179.01 177.99 3ihy n GLU 502 N -4.40 3.35 -2.93 0.00 1.02 -0.23 -4.82 120.64 112.62 3ihy n GLU 502 Ca -0.02 -2.32 -0.44 0.00 -0.02 0.00 0.00 57.16 54.36 3ihy n GLU 502 Cb 0.18 -1.83 -0.01 0.00 -0.02 0.00 0.00 31.44 29.76 3ihy n GLU 502 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ihy s ASP 503 N -0.77 6.81 0.38 1.62 -1.08 -1.07 -4.52 116.67 118.04 3ihy s ASP 503 Ca 0.41 -2.43 0.22 0.00 -0.52 0.00 0.00 52.55 50.23 3ihy s ASP 503 Cb 0.27 -2.40 1.28 0.00 -1.46 0.00 0.00 42.92 40.61 3ihy s ASP 503 CO 0.18 -0.94 1.63 1.56 0.52 0.00 0.00 175.17 178.12 3ihy h GLN 504 N 8.15 0.15 -0.40 4.34 4.20 -1.90 0.15 115.11 129.80 3ihy h GLN 504 Ca 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3ihy h GLN 504 Cb 0.96 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3ihy h GLN 504 CO 1.17 0.10 0.26 0.22 -0.67 0.00 0.00 178.83 179.92 3ihy h ASP 505 N 0.16 0.47 -0.45 1.46 1.82 -1.99 -0.86 116.42 117.02 3ihy h ASP 505 Ca 0.79 -0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 57.35 3ihy h ASP 505 Cb 2.13 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 42.01 3ihy h ASP 505 CO -0.57 0.35 0.05 0.74 -1.61 0.00 0.00 179.24 178.20 3ihy h THR 506 N 0.54 1.25 -0.16 2.25 2.02 -1.10 -1.81 112.91 115.90 3ihy h THR 506 Ca 0.15 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.44 3ihy h THR 506 Cb -0.05 0.98 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 3ihy h THR 506 CO -0.03 0.33 -0.33 1.56 0.37 0.00 0.00 175.52 177.42 3ihy h GLN 507 N 0.62 -0.37 -0.49 6.66 4.20 -0.83 0.94 115.11 125.84 3ihy h GLN 507 Ca 0.13 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 3ihy h GLN 507 Cb 0.41 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3ihy h GLN 507 CO 0.01 -0.25 0.04 1.96 -0.67 0.00 0.00 178.83 179.92 3ihy h GLN 508 N -0.39 0.83 0.06 1.46 4.20 -1.18 -3.32 115.11 116.78 3ihy h GLN 508 Ca 0.10 -0.25 -0.37 0.00 0.06 0.00 0.00 58.65 58.20 3ihy h GLN 508 Cb 0.55 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3ihy h GLN 508 CO -0.37 0.86 -2.14 0.54 -0.67 0.00 0.00 178.83 177.05 3ihy n ARG 509 N -4.38 0.69 -3.26 1.46 1.74 -0.68 -4.67 116.66 107.57 3ihy n ARG 509 Ca 0.01 0.25 -0.25 0.00 -0.77 0.00 0.00 57.85 57.09 3ihy n ARG 509 Cb 0.29 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.03 3ihy n ARG 509 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ihy n ASP 510 N -3.56 2.46 0.09 0.55 2.03 0.28 -4.97 116.55 113.43 3ihy n ASP 510 Ca -0.39 -3.20 0.11 0.00 0.52 0.00 0.00 54.79 51.83 3ihy n ASP 510 Cb 0.98 -0.64 0.44 0.00 -0.72 0.00 0.00 41.12 41.18 3ihy n ASP 510 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ihy n PRO 511 N 0.81 0.14 0.06 -0.67 -0.04 -1.21 -1.90 135.00 132.18 3ihy n PRO 511 Ca 0.27 0.34 -0.07 0.00 -0.04 0.00 0.00 63.50 64.00 3ihy n PRO 511 Cb 0.47 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3ihy n PRO 511 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3ihy h LYS 512 N 0.00 0.00 -0.04 0.54 1.57 -1.90 -2.77 116.57 113.96 3ihy h LYS 512 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3ihy h LYS 512 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3ihy h LYS 512 CO 0.00 0.96 -0.55 1.15 -0.57 0.00 0.00 179.45 180.44 3ihy h THR 513 N 0.00 1.38 -0.24 -0.16 2.02 -1.74 -2.76 112.91 111.40 3ihy h THR 513 Ca -0.02 -1.87 -0.18 0.00 0.77 0.00 0.00 66.41 65.10 3ihy h THR 513 Cb 1.77 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 70.14 3ihy h THR 513 CO 0.13 0.55 -0.56 -0.74 0.37 0.00 0.00 175.52 175.26 3ihy h HIS 514 N 0.10 0.95 -0.92 3.16 -0.00 -1.49 -1.88 115.15 115.06 3ihy h HIS 514 Ca -0.00 -0.34 0.04 0.00 -0.00 0.00 0.00 60.37 60.07 3ihy h HIS 514 Cb 1.00 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 28.18 3ihy h HIS 514 CO 0.01 1.14 0.59 0.93 -0.00 0.00 0.00 177.93 180.60 3ihy h GLU 515 N 0.57 1.09 -0.32 5.26 5.08 -1.44 -2.49 114.58 122.34 3ihy h GLU 515 Ca 0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3ihy h GLU 515 Cb 1.15 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3ihy h GLU 515 CO 0.12 0.72 0.12 1.98 -1.00 0.00 0.00 179.01 180.95 3ihy h MET 516 N 1.13 0.49 -0.45 2.33 4.05 -1.14 0.61 114.93 121.94 3ihy h MET 516 Ca 0.38 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.63 3ihy h MET 516 Cb 0.06 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 3ihy h MET 516 CO -0.14 0.50 -0.01 1.88 0.23 0.00 0.00 176.91 179.37 3ihy h TYR 517 N 0.37 0.88 -0.84 1.39 0.05 -1.31 0.40 116.97 117.91 3ihy h TYR 517 Ca 0.11 -0.16 0.12 0.00 0.05 0.00 0.00 58.73 58.84 3ihy h TYR 517 Cb 0.20 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 37.63 3ihy h TYR 517 CO -0.00 0.86 0.47 -0.07 -1.05 0.00 0.00 178.16 178.36 3ihy h LEU 518 N 0.65 0.63 -0.63 3.88 3.38 -0.96 -1.32 115.31 120.94 3ihy h LEU 518 Ca 0.13 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3ihy h LEU 518 Cb 0.52 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3ihy h LEU 518 CO 0.03 0.33 -0.24 0.78 0.09 0.00 0.00 178.44 179.42 3ihy h ASN 519 N 0.74 0.83 -0.68 -0.43 2.35 0.12 -1.86 115.58 116.64 3ihy h ASN 519 Ca 0.43 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3ihy h ASN 519 Cb 0.48 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3ihy h ASN 519 CO -0.29 1.04 0.37 0.58 -1.65 0.00 0.00 177.43 177.48 3ihy h VAL 520 N 0.70 1.21 0.11 2.81 2.07 0.32 -0.90 116.25 122.58 3ihy h VAL 520 Ca 0.09 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3ihy h VAL 520 Cb 0.77 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3ihy h VAL 520 CO 0.06 0.24 -0.05 -0.03 0.02 0.00 0.00 177.57 177.81 3ihy h MET 521 N 0.97 -0.14 -0.78 1.57 1.85 -1.02 -1.98 114.93 115.40 3ihy h MET 521 Ca 0.25 0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.43 3ihy h MET 521 Cb 0.04 0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.03 3ihy h MET 521 CO -0.04 0.07 0.43 0.00 -0.40 0.00 0.00 176.91 176.98 3ihy h ARG 522 N -0.34 0.71 -0.63 0.39 3.08 -0.80 0.13 114.38 116.93 3ihy h ARG 522 Ca -0.01 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3ihy h ARG 522 Cb 0.28 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3ihy h ARG 522 CO 0.02 0.47 0.42 0.00 -1.07 0.00 0.00 179.97 179.81 3ihy h ARG 523 N 0.74 0.73 -0.21 0.04 2.47 -1.11 0.49 114.38 117.54 3ihy h ARG 523 Ca 0.37 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.99 3ihy h ARG 523 Cb 0.34 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3ihy h ARG 523 CO -0.24 0.48 -0.10 0.35 0.56 0.00 0.00 179.97 181.02 3ihy h PHE 524 N 0.75 0.50 0.79 3.04 3.57 0.03 -1.79 116.94 123.84 3ihy h PHE 524 Ca 0.25 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3ihy h PHE 524 Cb 0.06 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 3ihy h PHE 524 CO -0.00 0.72 -0.46 1.03 -2.23 0.00 0.00 178.31 177.37 3ihy h SER 525 N 0.14 -1.15 -1.31 0.41 0.87 -1.08 -2.23 113.55 109.20 3ihy h SER 525 Ca 0.05 0.06 0.38 0.00 -1.23 0.00 0.00 61.79 61.05 3ihy h SER 525 Cb 0.59 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 3ihy h SER 525 CO 0.03 -0.73 0.92 -0.61 -0.53 0.00 0.00 176.83 175.91 3ihy h GLN 526 N -1.17 0.08 0.20 2.24 4.15 -0.83 0.13 115.11 119.90 3ihy h GLN 526 Ca -0.11 -0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.96 3ihy h GLN 526 Cb 0.93 -0.02 0.02 0.00 0.21 0.00 0.00 27.48 28.62 3ihy h GLN 526 CO 0.12 0.05 -1.67 0.00 -1.93 0.00 0.00 178.83 175.40 3ihy h ALA 527 N 1.40 0.09 -0.65 3.38 0.00 -1.20 -3.24 119.26 119.05 3ihy h ALA 527 Ca 0.66 -1.07 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3ihy h ALA 527 Cb 2.42 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 20.55 3ihy h ALA 527 CO -0.11 0.96 0.43 -0.07 0.00 0.00 0.00 179.25 180.46 3ihy h LEU 528 N 0.11 0.68 -0.67 0.00 3.38 -0.17 -2.08 115.31 116.57 3ihy h LEU 528 Ca -0.32 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 3ihy h LEU 528 Cb 2.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 3ihy h LEU 528 CO 0.20 0.47 -0.58 -0.07 0.09 0.00 0.00 178.44 178.56 3ihy h LEU 529 N 0.79 0.31 0.00 1.67 3.38 -1.35 -2.64 115.31 117.47 3ihy h LEU 529 Ca 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ihy h LEU 529 Cb 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ihy h LEU 529 CO -0.07 0.82 0.00 1.17 0.09 0.00 0.00 178.44 180.45 3ihy n LYS 530 N -3.90 0.89 -2.18 1.13 4.81 -0.80 -4.82 118.16 113.28 3ihy n LYS 530 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 3ihy n LYS 530 Cb 0.60 -1.36 0.05 0.00 0.02 0.00 0.00 35.03 34.35 3ihy n LYS 530 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ihy n GLY 531 N 0.66 1.61 0.00 3.14 0.00 -0.99 -5.08 105.19 104.53 3ihy n GLY 531 Ca 0.15 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3ihy n GLY 531 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ihy n ASP 532 N -2.66 -0.28 -0.13 1.61 5.75 -1.26 -4.72 116.55 114.86 3ihy n ASP 532 Ca 0.11 -0.85 -0.12 0.00 -0.01 0.00 0.00 54.79 53.92 3ihy n ASP 532 Cb 0.39 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 3ihy n ASP 532 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3ihy h LYS 533 N 0.00 0.77 0.00 0.11 1.63 -1.98 -2.22 116.57 114.88 3ihy h LYS 533 Ca 0.00 -0.32 -0.05 0.00 -0.85 0.00 0.00 60.65 59.44 3ihy h LYS 533 Cb 0.00 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3ihy h LYS 533 CO 0.00 0.93 -0.22 0.66 -3.45 0.00 0.00 179.45 177.37 3ihy h SER 534 N 0.57 0.00 -0.08 4.20 4.64 -1.98 0.15 113.55 121.04 3ihy h SER 534 Ca 0.09 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 3ihy h SER 534 Cb 0.68 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.77 3ihy h SER 534 CO 0.05 0.22 -0.50 0.58 -0.87 0.00 0.00 176.83 176.31 3ihy h VAL 535 N 0.00 1.38 -0.15 0.95 2.07 -1.88 -1.86 116.25 116.76 3ihy h VAL 535 Ca -0.00 -1.85 -0.08 0.00 0.82 0.00 0.00 66.70 65.58 3ihy h VAL 535 Cb 0.82 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3ihy h VAL 535 CO 0.03 0.55 -0.28 0.03 0.02 0.00 0.00 177.57 177.92 3ihy h ARG 536 N 0.06 0.28 -0.40 1.57 3.08 -1.19 -0.74 114.38 117.04 3ihy h ARG 536 Ca -0.04 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 3ihy h ARG 536 Cb 1.15 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3ihy h ARG 536 CO 0.10 0.55 -0.15 0.28 -1.07 0.00 0.00 179.97 179.67 3ihy h VAL 537 N 0.25 1.28 -0.74 2.04 2.07 -1.02 -2.63 116.25 117.50 3ihy h VAL 537 Ca 0.04 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.31 3ihy h VAL 537 Cb 0.63 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3ihy h VAL 537 CO 0.05 0.43 0.49 -0.03 0.02 0.00 0.00 177.57 178.52 3ihy h MET 538 N 0.63 0.89 -0.39 1.57 1.85 -0.91 -2.47 114.93 116.10 3ihy h MET 538 Ca 0.10 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.11 3ihy h MET 538 Cb 0.70 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 3ihy h MET 538 CO 0.05 0.59 0.17 -0.09 -0.40 0.00 0.00 176.91 177.23 3ihy h ARG 539 N 0.92 0.58 0.00 0.39 2.43 -0.80 -2.35 114.38 115.55 3ihy h ARG 539 Ca 0.29 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3ihy h ARG 539 Cb 0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3ihy h ARG 539 CO -0.08 0.53 -0.43 0.66 -1.51 0.00 0.00 179.97 179.14 3ihy h SER 540 N 0.49 0.00 0.68 -3.80 4.64 -1.21 -1.68 113.55 112.66 3ihy h SER 540 Ca 0.13 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3ihy h SER 540 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3ihy h SER 540 CO -0.01 0.43 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.20 3ihy h LEU 541 N 0.00 0.00 -0.00 5.97 3.38 -1.18 0.11 115.31 123.59 3ihy h LEU 541 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ihy h LEU 541 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3ihy h LEU 541 CO 0.06 0.11 -0.00 -0.07 0.09 0.00 0.00 178.44 178.62 3ihy h LEU 542 N 0.00 0.01 -1.28 1.67 3.38 -0.78 -2.31 115.31 115.99 3ihy h LEU 542 Ca -0.00 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3ihy h LEU 542 Cb 0.48 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3ihy h LEU 542 CO 0.01 0.45 0.52 0.00 0.09 0.00 0.00 178.44 179.51 3ihy h ALA 543 N 0.56 1.60 -0.59 1.53 0.00 -0.99 -1.10 119.26 120.27 3ihy h ALA 543 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3ihy h ALA 543 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ihy h ALA 543 CO 0.00 0.28 0.01 0.00 0.00 0.00 0.00 179.25 179.54 3ihy h ALA 544 N 1.56 0.79 0.12 0.00 0.00 -0.85 -1.66 119.26 119.22 3ihy h ALA 544 Ca 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ihy h ALA 544 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ihy h ALA 544 CO -0.11 0.62 -0.06 1.96 0.00 0.00 0.00 179.25 181.66 3ihy h GLN 545 N 0.93 -0.15 -0.83 0.00 4.20 -0.78 -2.17 115.11 116.30 3ihy h GLN 545 Ca 0.17 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.06 3ihy h GLN 545 Cb 0.54 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.25 3ihy h GLN 545 CO 0.03 0.04 0.36 0.37 -0.67 0.00 0.00 178.83 178.95 3ihy h GLN 546 N -0.32 0.45 -0.36 1.46 5.75 -1.05 0.17 115.11 121.20 3ihy h GLN 546 Ca -0.02 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 3ihy h GLN 546 Cb 0.26 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3ihy h GLN 546 CO 0.03 0.29 -0.17 1.15 -2.65 0.00 0.00 178.83 177.48 3ihy h THR 547 N 0.46 1.28 -0.52 2.39 2.02 -1.23 0.16 112.91 117.47 3ihy h THR 547 Ca 0.48 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3ihy h THR 547 Cb 0.81 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3ihy h THR 547 CO -0.45 0.42 0.33 0.15 0.37 0.00 0.00 175.52 176.34 3ihy h PHE 548 N 0.54 0.67 -0.26 3.16 3.04 -0.57 -1.91 116.94 121.61 3ihy h PHE 548 Ca 0.08 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 3ihy h PHE 548 Cb 0.71 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 3ihy h PHE 548 CO 0.06 0.44 0.02 0.28 -2.02 0.00 0.00 178.31 177.09 3ihy h VAL 549 N 0.70 1.24 -0.97 1.41 2.07 -0.69 0.48 116.25 120.49 3ihy h VAL 549 Ca 0.19 -0.84 0.27 0.00 0.82 0.00 0.00 66.70 67.13 3ihy h VAL 549 Cb -0.04 1.29 -0.14 0.00 -1.52 0.00 0.00 31.29 30.88 3ihy h VAL 549 CO -0.04 0.27 0.50 0.44 0.02 0.00 0.00 177.57 178.76 3ihy h ASP 550 N 0.24 0.46 0.18 0.57 5.19 -0.49 0.28 116.42 122.86 3ihy h ASP 550 Ca 0.08 0.17 -0.27 0.00 -0.62 0.00 0.00 57.03 56.39 3ihy h ASP 550 Cb 0.37 0.12 0.02 0.00 0.18 0.00 0.00 39.33 40.03 3ihy h ASP 550 CO 0.01 -0.05 -1.23 0.03 -3.12 0.00 0.00 179.24 174.88 3ihy h ARG 551 N 0.40 0.38 -0.59 3.56 3.08 -1.03 -2.35 114.38 117.84 3ihy h ARG 551 Ca 0.66 -0.65 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3ihy h ARG 551 Cb 1.37 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 3ihy h ARG 551 CO -0.56 1.31 0.39 1.25 -1.07 0.00 0.00 179.97 181.29 3ihy h LEU 552 N -0.14 0.66 -0.33 3.04 5.85 -0.11 -1.35 115.31 122.92 3ihy h LEU 552 Ca -0.23 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3ihy h LEU 552 Cb 1.89 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3ihy h LEU 552 CO 0.18 0.47 0.08 0.58 -0.34 0.00 0.00 178.44 179.41 3ihy h VAL 553 N 0.77 1.22 -1.00 1.05 2.07 -0.46 -0.48 116.25 119.42 3ihy h VAL 553 Ca 0.22 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3ihy h VAL 553 Cb -0.06 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3ihy h VAL 553 CO -0.05 0.25 0.65 -0.74 0.02 0.00 0.00 177.57 177.71 3ihy h HIS 554 N 0.38 1.22 -0.44 1.57 -0.00 -0.89 -0.92 115.15 116.07 3ihy h HIS 554 Ca 0.10 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.40 3ihy h HIS 554 Cb 0.30 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 3ihy h HIS 554 CO 0.02 0.67 -0.12 1.25 -0.00 0.00 0.00 177.93 179.74 3ihy h LEU 555 N 1.22 0.87 -1.12 0.26 6.46 -1.13 -2.31 115.31 119.56 3ihy h LEU 555 Ca 0.42 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 3ihy h LEU 555 Cb 0.09 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 3ihy h LEU 555 CO -0.15 1.04 0.26 0.24 -0.62 0.00 0.00 178.44 179.21 3ihy h MET 556 N 0.69 0.88 -0.30 1.25 2.86 -0.27 -0.43 114.93 119.60 3ihy h MET 556 Ca 0.11 -0.13 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 3ihy h MET 556 Cb 0.67 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3ihy h MET 556 CO 0.05 0.71 -0.42 0.87 1.06 0.00 0.00 176.91 179.18 3ihy h LYS 557 N 0.87 0.74 -0.85 1.72 1.57 -1.14 0.17 116.57 119.66 3ihy h LYS 557 Ca 0.21 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3ihy h LYS 557 Cb 0.15 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3ihy h LYS 557 CO -0.02 1.02 0.45 0.00 -0.57 0.00 0.00 179.45 180.32 3ihy h ALA 558 N 0.93 1.19 0.13 3.86 0.00 -0.94 -2.72 119.26 121.71 3ihy h ALA 558 Ca 0.05 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 3ihy h ALA 558 Cb 0.97 -0.34 0.03 0.00 0.00 0.00 0.00 17.79 18.45 3ihy h ALA 558 CO 0.09 0.64 -1.04 0.28 0.00 0.00 0.00 179.25 179.22 3ihy h VAL 559 N 1.19 1.38 0.00 0.00 2.07 -0.88 -2.55 116.25 117.46 3ihy h VAL 559 Ca 0.30 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.35 3ihy h VAL 559 Cb 0.05 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3ihy h VAL 559 CO -0.04 0.72 0.00 0.00 0.02 0.00 0.00 177.57 178.27 3ihy n GLN 560 N -3.96 0.23 -0.00 1.57 6.02 0.57 -2.84 117.38 118.98 3ihy n GLN 560 Ca -0.14 0.35 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 3ihy n GLN 560 Cb 0.90 -1.86 -0.07 0.00 1.02 0.00 0.00 30.24 30.23 3ihy n GLN 560 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ihy n ARG 561 N -2.29 2.77 -1.68 -1.09 1.74 -1.03 -4.97 116.66 110.11 3ihy n ARG 561 Ca 0.03 -0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.60 3ihy n ARG 561 Cb 0.32 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.60 3ihy n ARG 561 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3ihy n GLU 562 N -1.31 1.76 -2.59 5.56 0.00 -0.96 -4.94 120.64 118.16 3ihy n GLU 562 Ca 0.02 0.64 -0.43 0.00 0.00 0.00 0.00 57.16 57.40 3ihy n GLU 562 Cb 0.20 -2.40 -0.02 0.00 0.00 0.00 0.00 31.44 29.21 3ihy n GLU 562 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3ihy s SER 563 N 2.89 7.08 0.00 4.31 1.04 -1.26 -4.90 113.70 122.86 3ihy s SER 563 Ca 0.91 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.86 3ihy s SER 563 Cb -0.83 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 62.75 3ihy s SER 563 CO 0.52 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3ihy n GLY 564 N 3.36 4.55 3.35 7.32 0.00 -1.26 -4.97 105.19 117.54 3ihy n GLY 564 Ca 0.12 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 3ihy n GLY 564 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ihy n ASN 565 N 0.00 -2.11 0.29 1.61 0.23 -1.26 -4.52 115.26 109.50 3ihy n ASN 565 Ca 0.00 -0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.23 3ihy n ASN 565 Cb 0.00 -1.08 0.98 0.00 -2.08 0.00 0.00 39.78 37.60 3ihy n ASN 565 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3ihy h ARG 566 N -2.03 0.00 0.01 -3.83 3.08 -1.98 -0.85 114.38 108.78 3ihy h ARG 566 Ca -0.52 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.33 3ihy h ARG 566 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 3ihy h ARG 566 CO 0.39 0.00 -0.89 -0.22 -1.07 0.00 0.00 179.97 178.18 3ihy h LYS 567 N 0.00 0.13 0.37 0.04 3.64 -1.98 0.36 116.57 119.13 3ihy h LYS 567 Ca 0.03 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3ihy h LYS 567 Cb 0.21 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ihy h LYS 567 CO -0.00 0.93 -0.18 0.87 -2.27 0.00 0.00 179.45 178.80 3ihy h LYS 568 N 0.07 -0.48 -0.81 1.90 1.79 -1.48 -0.62 116.57 116.93 3ihy h LYS 568 Ca -0.04 0.03 0.20 0.00 -2.18 0.00 0.00 60.65 58.66 3ihy h LYS 568 Cb 1.53 0.11 -0.13 0.00 -1.58 0.00 0.00 32.23 32.16 3ihy h LYS 568 CO 0.13 -0.16 0.14 0.87 -1.08 0.00 0.00 179.45 179.34 3ihy h LYS 569 N -0.84 0.18 0.23 3.15 1.57 -1.36 0.12 116.57 119.62 3ihy h LYS 569 Ca -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ihy h LYS 569 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3ihy h LYS 569 CO 0.08 0.12 -0.11 -0.91 -0.57 0.00 0.00 179.45 178.06 3ihy h ASN 570 N 0.18 -0.27 -0.98 0.86 4.21 -0.26 -1.51 115.58 117.81 3ihy h ASN 570 Ca 0.47 -0.03 0.18 0.00 1.21 0.00 0.00 56.30 58.14 3ihy h ASN 570 Cb 0.88 0.07 -0.09 0.00 -1.12 0.00 0.00 38.32 38.06 3ihy h ASN 570 CO -0.63 -0.15 0.61 -0.33 -1.29 0.00 0.00 177.43 175.65 3ihy h GLU 571 N -0.36 0.70 0.03 0.81 5.08 0.56 -1.59 114.58 119.81 3ihy h GLU 571 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ihy h GLU 571 Cb 0.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ihy h GLU 571 CO 0.05 0.46 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.42 3ihy h ARG 572 N 0.72 -0.04 -0.93 2.33 2.43 -0.94 -0.36 114.38 117.59 3ihy h ARG 572 Ca 0.54 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.94 3ihy h ARG 572 Cb 0.90 0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.29 3ihy h ARG 572 CO -0.32 0.50 -0.06 1.25 -1.51 0.00 0.00 179.97 179.83 3ihy h LEU 573 N -0.61 -0.58 -0.13 3.80 5.85 -0.53 0.19 115.31 123.30 3ihy h LEU 573 Ca -0.00 0.26 -0.24 0.00 0.84 0.00 0.00 57.88 58.74 3ihy h LEU 573 Cb 0.56 0.49 0.01 0.00 0.37 0.00 0.00 40.66 42.09 3ihy h LEU 573 CO 0.01 -0.30 -0.91 1.56 -0.34 0.00 0.00 178.44 178.45 3ihy h GLN 574 N 0.03 0.65 0.31 1.25 4.20 -1.25 -1.31 115.11 118.99 3ihy h GLN 574 Ca 0.51 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3ihy h GLN 574 Cb 0.95 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3ihy h GLN 574 CO -0.89 1.23 -0.22 0.00 -0.67 0.00 0.00 178.83 178.28 3ihy h ALA 575 N 0.57 -0.52 -0.19 3.87 0.00 0.02 0.57 119.26 123.57 3ihy h ALA 575 Ca -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ihy h ALA 575 Cb 1.54 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3ihy h ALA 575 CO 0.18 -0.81 -0.04 -0.07 0.00 0.00 0.00 179.25 178.50 3ihy h LEU 576 N -0.53 0.26 -0.11 0.00 -0.00 -0.69 -2.06 115.31 112.19 3ihy h LEU 576 Ca -0.03 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.88 57.67 3ihy h LEU 576 Cb 0.46 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.05 3ihy h LEU 576 CO 0.01 0.35 -0.49 -0.07 -0.00 0.00 0.00 178.44 178.24 3ihy h LEU 577 N 0.28 0.62 -1.93 1.67 3.38 -0.99 -3.03 115.31 115.31 3ihy h LEU 577 Ca 0.06 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 3ihy h LEU 577 Cb 0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ihy h LEU 577 CO 0.01 1.15 -0.10 1.23 0.09 0.00 0.00 178.44 180.82 3ihy h GLY 578 N 0.12 0.00 -7.02 0.83 0.00 -0.69 -3.28 103.07 93.03 3ihy h GLY 578 Ca -0.03 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.58 3ihy h GLY 578 CO 0.10 0.00 2.18 1.34 0.00 0.00 0.00 176.54 180.16 3ihy n ASP 579 N -3.53 4.79 0.20 0.19 -0.08 -0.79 -4.80 116.55 112.52 3ihy n ASP 579 Ca -0.02 -2.96 0.04 0.00 -1.51 0.00 0.00 54.79 50.34 3ihy n ASP 579 Cb 0.24 -1.62 0.41 0.00 2.34 0.00 0.00 41.12 42.49 3ihy n ASP 579 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 3ihy h ASN 580 N 6.62 0.00 0.39 1.67 -1.24 -1.82 -2.59 115.58 118.61 3ihy h ASN 580 Ca 0.43 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.36 3ihy h ASN 580 Cb 0.75 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 3ihy h ASN 580 CO 1.55 0.33 -0.40 -0.33 -1.29 0.00 0.00 177.43 177.30 3ihy h GLU 581 N 0.00 0.02 0.00 6.67 4.39 -1.95 0.59 114.58 124.30 3ihy h GLU 581 Ca -0.00 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3ihy h GLU 581 Cb 0.63 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3ihy h GLU 581 CO 0.04 0.41 -1.86 0.36 -1.16 0.00 0.00 179.01 176.80 3ihy n LYS 582 N -4.06 0.65 -0.07 2.33 2.85 -1.13 -4.70 118.16 114.04 3ihy n LYS 582 Ca -0.02 -0.05 -0.10 0.00 -1.05 0.00 0.00 58.31 57.10 3ihy n LYS 582 Cb 0.43 -1.61 -0.06 0.00 -0.65 0.00 0.00 35.03 33.15 3ihy n LYS 582 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3ihy n MET 583 N -2.53 0.32 -3.15 -1.58 2.81 -0.99 -5.04 117.12 106.96 3ihy n MET 583 Ca -0.11 0.08 -0.17 0.00 -1.81 0.00 0.00 57.70 55.69 3ihy n MET 583 Cb 0.74 -1.23 0.05 0.00 -0.71 0.00 0.00 33.22 32.07 3ihy n MET 583 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3ihy n ASN 584 N -2.95 -5.02 -0.00 7.83 4.13 0.19 -4.92 115.26 114.51 3ihy n ASN 584 Ca -0.23 -0.33 0.04 0.00 1.68 0.00 0.00 54.58 55.73 3ihy n ASN 584 Cb 0.74 -3.68 -0.06 0.00 -1.54 0.00 0.00 39.78 35.24 3ihy n ASN 584 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ihy n LEU 585 N -3.48 0.00 -0.03 3.41 4.77 -1.26 -4.70 117.00 115.71 3ihy n LEU 585 Ca -0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 3ihy n LEU 585 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 3ihy n LEU 585 CO 0.42 0.00 0.45 -1.28 -1.33 0.00 0.00 177.39 175.66 3ihy h SER 586 N 0.00 0.32 -3.39 -1.43 0.87 -1.75 0.35 113.55 108.52 3ihy h SER 586 Ca -0.00 -0.66 -0.27 0.00 -1.23 0.00 0.00 61.79 59.63 3ihy h SER 586 Cb 0.34 -0.10 -0.33 0.00 -0.44 0.00 0.00 62.40 61.87 3ihy h SER 586 CO 0.00 0.93 -0.65 -1.81 -0.53 0.00 0.00 176.83 174.77 3ihy s ASP 587 N -6.30 0.16 0.18 6.23 1.01 -1.26 -3.60 116.67 113.08 3ihy s ASP 587 Ca -0.15 0.22 -0.14 0.00 0.71 0.00 0.00 52.55 53.20 3ihy s ASP 587 Cb 0.03 0.11 0.01 0.00 1.01 0.00 0.00 42.92 44.09 3ihy s ASP 587 CO 0.76 -0.17 0.42 0.68 0.21 0.00 0.00 175.17 177.07 3ihy s VAL 588 N 1.39 0.05 0.36 -1.27 -7.23 0.37 -4.90 120.40 109.18 3ihy s VAL 588 Ca -0.06 -1.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.82 3ihy s VAL 588 Cb -0.12 -1.64 -0.11 0.00 0.56 0.00 0.00 36.38 35.07 3ihy s VAL 588 CO -0.05 -0.22 1.45 -1.61 -0.31 0.00 0.00 175.10 174.36 3ihy s GLU 589 N -3.90 4.16 -0.47 4.82 0.41 -1.26 -4.50 118.70 117.97 3ihy s GLU 589 Ca 0.11 2.49 -0.44 0.00 -0.41 0.00 0.00 54.97 56.73 3ihy s GLU 589 Cb 0.01 -2.99 -0.19 0.00 -1.78 0.00 0.00 34.13 29.18 3ihy s GLU 589 CO -0.03 -0.46 1.60 1.28 -0.49 0.00 0.00 175.26 177.17 3ihy n LEU 590 N 0.59 1.05 -4.18 1.80 4.32 -1.25 -4.81 117.00 114.52 3ihy n LEU 590 Ca 0.01 1.02 -0.15 0.00 -0.02 0.00 0.00 56.01 56.88 3ihy n LEU 590 Cb 0.40 -0.83 -0.11 0.00 -1.62 0.00 0.00 43.42 41.26 3ihy n LEU 590 CO 0.63 -0.78 -0.42 0.27 -1.22 0.00 0.00 177.39 175.87 3ihy s ILE 591 N 3.38 0.97 0.40 -0.08 -4.36 -0.91 -4.92 121.20 115.68 3ihy s ILE 591 Ca 1.01 -1.66 -0.26 0.00 -0.26 0.00 0.00 60.65 59.48 3ihy s ILE 591 Cb -1.41 -1.39 -0.09 0.00 1.25 0.00 0.00 42.46 40.82 3ihy s ILE 591 CO 0.74 -0.56 1.28 -2.84 0.24 0.00 0.00 174.94 173.80 3ihy s PRO 592 N -2.84 4.03 -0.22 0.37 0.02 -1.26 -0.95 135.00 134.15 3ihy s PRO 592 Ca 0.06 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 3ihy s PRO 592 Cb -0.03 -2.78 -0.01 0.00 0.02 0.00 0.00 34.50 31.70 3ihy s PRO 592 CO 0.00 -0.43 1.34 -1.17 -0.33 0.00 0.00 177.00 176.41 3ihy s LEU 593 N -2.37 4.04 0.52 -5.54 2.96 -0.15 -4.83 118.68 113.30 3ihy s LEU 593 Ca 0.56 1.53 0.22 0.00 -0.22 0.00 0.00 54.13 56.22 3ihy s LEU 593 Cb -0.37 -3.54 1.32 0.00 0.50 0.00 0.00 46.19 44.11 3ihy s LEU 593 CO 0.47 -0.95 2.03 -0.65 -1.32 0.00 0.00 176.35 175.94 3ihy h PRO 594 N 8.98 0.04 0.00 0.98 0.11 -1.93 0.18 132.00 140.36 3ihy h PRO 594 Ca -0.28 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3ihy h PRO 594 Cb 1.11 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ihy h PRO 594 CO 1.00 0.03 -0.14 1.25 -0.21 0.00 0.00 178.00 179.93 3ihy h LEU 595 N 0.05 0.00 -5.48 2.35 5.85 -1.94 -3.39 115.31 112.76 3ihy h LEU 595 Ca 0.19 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3ihy h LEU 595 Cb 0.70 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.55 3ihy h LEU 595 CO -0.01 0.14 -0.36 -0.70 -0.34 0.00 0.00 178.44 177.17 3ihy s GLU 596 N -4.52 0.69 0.15 1.25 2.12 0.49 -4.86 118.70 114.03 3ihy s GLU 596 Ca -0.04 -0.42 0.17 0.00 0.36 0.00 0.00 54.97 55.04 3ihy s GLU 596 Cb 0.15 0.03 0.77 0.00 0.26 0.00 0.00 34.13 35.34 3ihy s GLU 596 CO 0.65 -0.94 1.53 -0.35 -0.54 0.00 0.00 175.26 175.61 3ihy n PRO 597 N 3.69 0.10 0.08 4.30 -0.04 -0.47 -1.52 135.00 141.14 3ihy n PRO 597 Ca 0.12 0.42 -0.03 0.00 -0.04 0.00 0.00 63.50 63.97 3ihy n PRO 597 Cb 0.59 -1.72 0.21 0.00 -0.04 0.00 0.00 33.50 32.54 3ihy n PRO 597 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3ihy h GLN 598 N 0.00 0.30 -6.33 0.54 7.50 -1.97 -3.41 115.11 111.74 3ihy h GLN 598 Ca 0.00 -0.14 -0.57 0.00 0.50 0.00 0.00 58.65 58.44 3ihy h GLN 598 Cb 0.22 -0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.70 3ihy h GLN 598 CO 0.00 0.65 0.94 0.08 -1.50 0.00 0.00 178.83 179.00 3ihy s VAL 599 N -4.19 4.23 0.41 -0.54 1.01 -0.57 -5.00 120.40 115.74 3ihy s VAL 599 Ca -0.05 1.40 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 3ihy s VAL 599 Cb 0.13 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 3ihy s VAL 599 CO 0.78 -0.45 0.78 -0.54 0.00 0.00 0.00 175.10 175.66 3ihy s LYS 600 N 4.01 3.77 0.04 2.72 -0.14 -1.26 -0.98 119.74 127.89 3ihy s LYS 600 Ca 0.54 0.48 -0.04 0.00 -1.36 0.00 0.00 55.97 55.58 3ihy s LYS 600 Cb -0.16 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.59 3ihy s LYS 600 CO 0.21 -0.05 0.06 0.96 -0.76 0.00 0.00 175.35 175.76 3ihy s ILE 601 N -2.40 0.14 -0.12 2.17 -5.25 -0.12 -2.04 121.20 113.59 3ihy s ILE 601 Ca 0.51 -1.18 0.15 0.00 -0.99 0.00 0.00 60.65 59.15 3ihy s ILE 601 Cb -0.10 -0.90 -0.22 0.00 2.95 0.00 0.00 42.46 44.18 3ihy s ILE 601 CO 0.32 -0.65 0.38 0.54 -1.79 0.00 0.00 174.94 173.73 3ihy n ARG 602 N 0.78 0.71 -2.40 0.37 1.74 0.21 -2.13 116.66 115.94 3ihy n ARG 602 Ca -0.19 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 3ihy n ARG 602 Cb 0.58 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 3ihy n ARG 602 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ihy n GLY 603 N 1.60 -0.12 3.61 -0.13 0.00 -1.25 0.14 105.19 109.03 3ihy n GLY 603 Ca -0.02 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 3ihy n GLY 603 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihy s ILE 604 N -2.83 3.50 -0.31 -0.61 1.01 0.12 0.16 121.20 122.24 3ihy s ILE 604 Ca 0.00 -1.33 -0.21 0.00 0.00 0.00 0.00 60.65 59.11 3ihy s ILE 604 Cb 0.00 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 3ihy s ILE 604 CO 0.00 0.03 0.68 -0.63 0.00 0.00 0.00 174.94 175.02 3ihy s ILE 605 N -1.41 4.89 0.19 2.92 1.01 -0.32 -4.30 121.20 124.18 3ihy s ILE 605 Ca 0.24 0.93 -0.02 0.00 0.00 0.00 0.00 60.65 61.80 3ihy s ILE 605 Cb -0.10 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3ihy s ILE 605 CO 0.16 -0.19 1.50 -0.65 0.00 0.00 0.00 174.94 175.75 3ihy h PRO 606 N 8.20 0.51 -0.26 2.79 0.11 -1.89 -3.26 132.00 138.20 3ihy h PRO 606 Ca -0.26 -0.33 -0.07 0.00 0.11 0.00 0.00 66.00 65.45 3ihy h PRO 606 Cb 1.11 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3ihy h PRO 606 CO 0.83 0.94 -0.13 0.93 -0.21 0.00 0.00 178.00 180.36 3ihy h GLU 607 N 0.39 0.43 -0.00 1.05 3.07 -1.93 -3.16 114.58 114.42 3ihy h GLU 607 Ca 0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3ihy h GLU 607 Cb 1.11 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3ihy h GLU 607 CO 0.10 0.56 -0.70 0.25 -1.40 0.00 0.00 179.01 177.83 3ihy n THR 608 N -4.21 0.00 -2.08 1.13 -2.24 -1.24 -4.95 114.28 100.69 3ihy n THR 608 Ca 0.00 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3ihy n THR 608 Cb 0.31 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 3ihy n THR 608 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ihy s ALA 609 N -2.92 3.52 0.11 6.98 0.00 -1.20 -4.83 121.76 123.42 3ihy s ALA 609 Ca 0.11 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 3ihy s ALA 609 Cb 0.17 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.87 3ihy s ALA 609 CO 0.75 -0.69 0.68 0.95 0.00 0.00 0.00 175.76 177.45 3ihy s THR 610 N -0.92 0.00 0.26 0.00 -4.23 -0.65 -4.82 115.64 105.28 3ihy s THR 610 Ca 0.51 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.77 3ihy s THR 610 Cb -0.41 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.34 3ihy s THR 610 CO 0.52 0.00 0.86 -0.76 -0.54 0.00 0.00 174.62 174.70 3ihy s LEU 611 N -2.59 4.43 0.94 4.79 1.43 -1.26 0.11 118.68 126.52 3ihy s LEU 611 Ca 0.01 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.70 3ihy s LEU 611 Cb -0.01 -3.72 0.15 0.00 0.03 0.00 0.00 46.19 42.64 3ihy s LEU 611 CO -0.11 0.04 1.10 -0.36 0.23 0.00 0.00 176.35 177.25 3ihy s PHE 612 N -1.45 2.28 0.03 0.29 0.08 -0.65 -4.88 117.98 113.68 3ihy s PHE 612 Ca 0.45 1.08 0.32 0.00 0.12 0.00 0.00 56.93 58.90 3ihy s PHE 612 Cb -0.20 -3.23 1.29 0.00 -0.57 0.00 0.00 43.02 40.31 3ihy s PHE 612 CO 0.25 -2.57 1.95 0.87 -0.10 0.00 0.00 175.22 175.61 3ihy h LYS 613 N -1.67 0.00 -6.43 0.44 1.57 -1.98 -3.44 116.57 105.06 3ihy h LYS 613 Ca -0.52 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.71 3ihy h LYS 613 Cb 1.31 0.00 0.21 0.00 0.08 0.00 0.00 32.23 33.82 3ihy h LYS 613 CO 0.57 0.00 -0.91 0.45 -0.57 0.00 0.00 179.45 178.99 3ihy n SER 614 N -3.02 -2.95 0.20 0.86 2.88 -1.26 -4.89 113.62 105.43 3ihy n SER 614 Ca 0.01 0.44 0.07 0.00 -1.33 0.00 0.00 58.87 58.06 3ihy n SER 614 Cb 0.31 -1.05 0.36 0.00 -0.75 0.00 0.00 64.21 63.08 3ihy n SER 614 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ihy h ALA 615 N -0.74 1.00 -0.24 -1.46 0.00 -2.02 -3.03 119.26 112.77 3ihy h ALA 615 Ca -0.44 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3ihy h ALA 615 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ihy h ALA 615 CO 0.36 0.41 0.00 1.28 0.00 0.00 0.00 179.25 181.30 3ihy n LEU 616 N -3.48 1.90 -3.72 0.00 4.77 -1.26 -4.97 117.00 110.24 3ihy n LEU 616 Ca -0.00 -0.84 -0.24 0.00 -0.03 0.00 0.00 56.01 54.91 3ihy n LEU 616 Cb 0.49 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3ihy n LEU 616 CO 0.36 0.42 -0.10 0.23 -1.33 0.00 0.00 177.39 176.97 3ihy n MET 617 N 0.49 -3.73 -2.27 3.23 2.81 -1.15 -4.72 117.12 111.78 3ihy n MET 617 Ca 0.16 0.56 -0.36 0.00 -1.81 0.00 0.00 57.70 56.25 3ihy n MET 617 Cb 0.35 -4.89 -0.00 0.00 -0.71 0.00 0.00 33.22 27.96 3ihy n MET 617 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ihy s PRO 618 N -5.99 3.54 0.04 0.03 0.04 -1.26 -4.73 135.00 126.67 3ihy s PRO 618 Ca 0.12 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 3ihy s PRO 618 Cb -0.04 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 3ihy s PRO 618 CO 0.83 -0.71 0.43 0.00 0.04 0.00 0.00 177.00 177.59 3ihy s ALA 619 N -1.68 3.69 -0.18 8.56 0.00 -0.16 -1.63 121.76 130.35 3ihy s ALA 619 Ca 0.69 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 3ihy s ALA 619 Cb -0.26 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3ihy s ALA 619 CO 0.30 0.50 0.31 -1.14 0.00 0.00 0.00 175.76 175.73 3ihy s GLN 620 N -1.38 4.23 0.00 0.00 0.74 0.30 -1.36 119.66 122.19 3ihy s GLN 620 Ca 0.28 0.10 0.04 0.00 0.05 0.00 0.00 55.36 55.82 3ihy s GLN 620 Cb -0.16 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.48 3ihy s GLN 620 CO 0.15 0.15 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.41 3ihy s LEU 621 N 0.73 2.05 -0.25 3.68 1.43 -0.50 -1.64 118.68 124.17 3ihy s LEU 621 Ca 0.17 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3ihy s LEU 621 Cb -0.13 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 3ihy s LEU 621 CO 0.05 0.12 0.05 -0.36 0.23 0.00 0.00 176.35 176.44 3ihy s PHE 622 N -0.39 3.07 -0.05 0.29 0.40 -1.26 -0.20 117.98 119.83 3ihy s PHE 622 Ca 0.04 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 3ihy s PHE 622 Cb -0.05 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 3ihy s PHE 622 CO -0.00 -0.44 0.31 -0.06 0.70 0.00 0.00 175.22 175.73 3ihy s PHE 623 N 1.57 3.68 -0.51 0.36 0.40 -0.52 -1.17 117.98 121.78 3ihy s PHE 623 Ca 0.06 0.82 -0.27 0.00 -0.60 0.00 0.00 56.93 56.93 3ihy s PHE 623 Cb -0.15 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.25 3ihy s PHE 623 CO 0.02 0.67 1.08 0.15 0.70 0.00 0.00 175.22 177.85 3ihy s LYS 624 N -1.04 3.57 0.53 0.44 1.02 0.12 -1.84 119.74 122.55 3ihy s LYS 624 Ca 0.20 0.27 -0.13 0.00 0.02 0.00 0.00 55.97 56.34 3ihy s LYS 624 Cb -0.15 -3.96 -0.06 0.00 -0.52 0.00 0.00 37.83 33.14 3ihy s LYS 624 CO 0.10 -1.45 0.95 0.95 -0.92 0.00 0.00 175.35 174.98 3ihy s THR 625 N 4.38 4.67 0.27 2.17 -4.23 -0.74 0.65 115.64 122.81 3ihy s THR 625 Ca 0.42 0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 61.84 3ihy s THR 625 Cb -0.09 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.23 3ihy s THR 625 CO 0.27 -0.83 1.69 -0.08 -0.54 0.00 0.00 174.62 175.13 3ihy h GLU 626 N 0.50 0.33 -2.21 3.99 4.81 -1.75 -1.42 114.58 118.83 3ihy h GLU 626 Ca -0.46 -0.02 -0.47 0.00 -0.13 0.00 0.00 59.36 58.28 3ihy h GLU 626 Cb 1.19 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.38 3ihy h GLU 626 CO 0.62 0.22 0.86 -0.40 -0.73 0.00 0.00 179.01 179.58 3ihy n ASP 627 N -5.10 6.62 -3.11 1.04 3.85 -1.26 -4.79 116.55 113.81 3ihy n ASP 627 Ca 0.18 -2.92 -0.18 0.00 -0.71 0.00 0.00 54.79 51.17 3ihy n ASP 627 Cb 0.56 -1.34 -0.03 0.00 -1.35 0.00 0.00 41.12 38.96 3ihy n ASP 627 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ihy n GLY 628 N 1.77 -0.38 0.00 6.12 0.00 -0.55 -4.92 105.19 107.23 3ihy n GLY 628 Ca 0.53 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3ihy n GLY 628 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihy n GLY 629 N -0.69 2.20 3.20 -0.02 0.00 -1.15 -4.89 105.19 103.84 3ihy n GLY 629 Ca 0.05 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 3ihy n GLY 629 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihy s LYS 630 N -1.62 1.46 -0.19 1.61 1.02 -1.26 -1.79 119.74 118.97 3ihy s LYS 630 Ca 0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 3ihy s LYS 630 Cb 0.00 -1.45 0.06 0.00 -0.52 0.00 0.00 37.83 35.92 3ihy s LYS 630 CO 0.00 0.39 0.03 -0.47 -0.92 0.00 0.00 175.35 174.38 3ihy s TYR 631 N -0.54 1.07 0.09 3.18 5.04 -0.76 -4.90 117.35 120.51 3ihy s TYR 631 Ca 0.07 -0.86 -0.22 0.00 -2.44 0.00 0.00 57.07 53.62 3ihy s TYR 631 Cb -0.08 -1.04 -0.07 0.00 0.35 0.00 0.00 41.96 41.13 3ihy s TYR 631 CO -0.00 -0.60 0.64 -1.25 -1.34 0.00 0.00 175.55 173.00 3ihy s PRO 632 N 1.84 4.34 0.10 4.97 0.04 -1.26 -1.44 135.00 143.59 3ihy s PRO 632 Ca -0.01 0.88 0.02 0.00 0.04 0.00 0.00 61.00 61.93 3ihy s PRO 632 Cb -0.17 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 3ihy s PRO 632 CO -0.08 0.56 -0.08 0.08 0.04 0.00 0.00 177.00 177.52 3ihy s VAL 633 N -0.91 0.78 -0.28 -0.36 1.01 0.71 -2.71 120.40 118.64 3ihy s VAL 633 Ca 0.32 -1.78 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 3ihy s VAL 633 Cb -0.20 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3ihy s VAL 633 CO 0.21 -0.74 0.09 -0.63 0.00 0.00 0.00 175.10 174.03 3ihy s ILE 634 N -3.07 4.20 -0.26 2.22 1.01 0.64 -1.42 121.20 124.51 3ihy s ILE 634 Ca 0.08 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 3ihy s ILE 634 Cb 0.01 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3ihy s ILE 634 CO -0.03 0.18 0.33 0.12 0.00 0.00 0.00 174.94 175.54 3ihy s PHE 635 N 1.56 3.27 -0.19 3.97 5.36 -0.46 -0.75 117.98 130.74 3ihy s PHE 635 Ca 0.04 0.38 -0.09 0.00 -0.96 0.00 0.00 56.93 56.30 3ihy s PHE 635 Cb -0.16 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 39.96 3ihy s PHE 635 CO 0.03 -0.16 0.11 0.15 -1.46 0.00 0.00 175.22 173.89 3ihy s LYS 636 N 1.82 4.06 0.01 10.12 1.02 -0.10 -0.99 119.74 135.66 3ihy s LYS 636 Ca 0.14 -0.25 0.07 0.00 0.02 0.00 0.00 55.97 55.94 3ihy s LYS 636 Cb -0.15 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3ihy s LYS 636 CO 0.09 0.33 -0.22 -1.58 -0.92 0.00 0.00 175.35 173.06 3ihy s HIS 637 N 0.25 1.93 0.00 3.18 2.46 -1.26 -1.69 115.29 120.15 3ihy s HIS 637 Ca 0.07 -0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.23 3ihy s HIS 637 Cb -0.11 -1.21 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 3ihy s HIS 637 CO -0.01 0.01 0.00 0.41 -2.47 0.00 0.00 174.74 172.69 3ihy n GLY 638 N 2.29 0.94 3.63 1.59 0.00 1.00 -4.83 105.19 109.81 3ihy n GLY 638 Ca -0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 3ihy n GLY 638 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ihy s ASP 639 N -2.82 -0.61 -0.38 1.61 -1.08 -0.21 -5.03 116.67 108.14 3ihy s ASP 639 Ca 0.00 0.97 -0.23 0.00 -0.52 0.00 0.00 52.55 52.77 3ihy s ASP 639 Cb 0.00 1.29 0.01 0.00 -1.46 0.00 0.00 42.92 42.76 3ihy s ASP 639 CO 0.00 -0.15 0.80 -0.62 0.52 0.00 0.00 175.17 175.72 3ihy s ASP 640 N 1.48 6.54 0.00 -0.34 -1.08 -1.26 -3.36 116.67 118.66 3ihy s ASP 640 Ca -0.09 0.30 0.21 0.00 -0.52 0.00 0.00 52.55 52.46 3ihy s ASP 640 Cb -0.04 -2.40 0.70 0.00 -1.46 0.00 0.00 42.92 39.71 3ihy s ASP 640 CO -0.16 -0.78 1.52 0.18 0.52 0.00 0.00 175.17 176.45 3ihy n LEU 641 N 6.52 1.94 -0.16 -1.34 4.77 -1.26 -4.58 117.00 122.88 3ihy n LEU 641 Ca 0.03 -0.81 -0.11 0.00 -0.03 0.00 0.00 56.01 55.10 3ihy n LEU 641 Cb 0.48 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3ihy n LEU 641 CO 0.55 0.40 0.71 0.03 -1.33 0.00 0.00 177.39 177.75 3ihy h ARG 642 N 2.59 0.95 -0.12 3.23 3.08 -1.92 0.42 114.38 122.60 3ihy h ARG 642 Ca 0.00 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3ihy h ARG 642 Cb 0.57 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3ihy h ARG 642 CO 0.00 1.04 0.07 0.37 -1.07 0.00 0.00 179.97 180.38 3ihy h GLN 643 N 0.80 0.16 -0.35 0.04 4.15 -1.92 0.15 115.11 118.15 3ihy h GLN 643 Ca 0.12 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3ihy h GLN 643 Cb 0.71 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 3ihy h GLN 643 CO 0.05 0.18 0.14 -0.44 -1.93 0.00 0.00 178.83 176.84 3ihy h ASP 644 N 0.10 0.44 -0.51 -0.69 5.19 -1.77 -1.21 116.42 117.98 3ihy h ASP 644 Ca 0.04 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3ihy h ASP 644 Cb 0.07 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 3ihy h ASP 644 CO -0.01 0.41 0.10 -0.61 -3.12 0.00 0.00 179.24 176.01 3ihy h GLN 645 N 0.50 0.84 -0.06 3.56 4.15 0.45 -0.53 115.11 124.02 3ihy h GLN 645 Ca 0.12 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3ihy h GLN 645 Cb 0.10 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 3ihy h GLN 645 CO -0.01 0.82 -0.02 1.25 -1.93 0.00 0.00 178.83 178.94 3ihy h LEU 646 N 0.72 0.12 -0.26 -2.39 5.85 -0.34 -1.49 115.31 117.52 3ihy h LEU 646 Ca 0.16 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3ihy h LEU 646 Cb 0.38 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ihy h LEU 646 CO 0.01 0.48 0.12 0.40 -0.34 0.00 0.00 178.44 179.12 3ihy h ILE 647 N -0.25 0.99 -0.61 4.05 1.08 -1.21 -1.19 117.51 120.37 3ihy h ILE 647 Ca 0.01 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 3ihy h ILE 647 Cb 0.44 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 3ihy h ILE 647 CO 0.01 0.05 0.21 -0.07 -0.69 0.00 0.00 178.15 177.65 3ihy h LEU 648 N 0.26 0.83 -1.59 1.44 -0.00 -1.10 0.61 115.31 115.77 3ihy h LEU 648 Ca 0.11 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.81 3ihy h LEU 648 Cb 0.03 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 3ihy h LEU 648 CO -0.08 0.77 -0.22 0.06 -0.00 0.00 0.00 178.44 178.97 3ihy h GLN 649 N 0.88 0.00 0.18 1.13 -0.00 -0.44 0.15 115.11 117.01 3ihy h GLN 649 Ca 0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.54 3ihy h GLN 649 Cb 0.22 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.72 3ihy h GLN 649 CO -0.01 0.22 -1.45 0.82 -0.00 0.00 0.00 178.83 178.40 3ihy h ILE 650 N 0.00 1.28 -0.89 1.86 1.08 -0.46 -2.68 117.51 117.70 3ihy h ILE 650 Ca -0.00 -2.81 0.01 0.00 -0.39 0.00 0.00 64.86 61.67 3ihy h ILE 650 Cb 0.46 2.92 -0.04 0.00 -3.07 0.00 0.00 36.82 37.09 3ihy h ILE 650 CO 0.03 0.84 0.59 0.40 -0.69 0.00 0.00 178.15 179.33 3ihy h ILE 651 N 0.10 1.23 -0.05 -0.67 2.04 -0.35 0.26 117.51 120.06 3ihy h ILE 651 Ca -0.23 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3ihy h ILE 651 Cb 2.07 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3ihy h ILE 651 CO 0.22 0.22 -0.07 0.28 0.00 0.00 0.00 178.15 178.80 3ihy h SER 652 N 1.21 -0.22 -0.90 1.72 0.02 -1.04 0.68 113.55 115.02 3ihy h SER 652 Ca 0.33 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.38 3ihy h SER 652 Cb -0.14 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 3ihy h SER 652 CO -0.07 -0.10 0.57 0.25 -1.14 0.00 0.00 176.83 176.34 3ihy h LEU 653 N -0.10 0.92 -0.39 5.07 5.85 -0.93 0.42 115.31 126.15 3ihy h LEU 653 Ca 0.05 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 3ihy h LEU 653 Cb 0.17 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ihy h LEU 653 CO -0.11 0.59 -0.51 0.24 -0.34 0.00 0.00 178.44 178.31 3ihy h MET 654 N 1.06 0.81 -0.18 1.25 2.86 -0.18 0.10 114.93 120.65 3ihy h MET 654 Ca 0.39 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3ihy h MET 654 Cb 0.14 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3ihy h MET 654 CO -0.16 1.12 0.07 0.22 1.06 0.00 0.00 176.91 179.22 3ihy h ASP 655 N 0.63 0.24 -0.59 1.22 3.58 -0.21 0.54 116.42 121.82 3ihy h ASP 655 Ca 0.02 -0.16 0.02 0.00 0.42 0.00 0.00 57.03 57.34 3ihy h ASP 655 Cb 1.09 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.05 3ihy h ASP 655 CO 0.11 0.33 0.37 0.11 -2.88 0.00 0.00 179.24 177.28 3ihy h LYS 656 N 0.14 0.71 -0.76 0.28 1.57 -0.80 -0.59 116.57 117.12 3ihy h LYS 656 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ihy h LYS 656 Cb 0.16 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3ihy h LYS 656 CO -0.01 0.47 0.47 -0.07 -0.57 0.00 0.00 179.45 179.75 3ihy h LEU 657 N 0.73 0.90 -0.31 2.94 3.38 -0.67 0.22 115.31 122.51 3ihy h LEU 657 Ca 0.24 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.97 3ihy h LEU 657 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ihy h LEU 657 CO -0.09 0.68 -0.58 -0.07 0.09 0.00 0.00 178.44 178.47 3ihy h LEU 658 N 1.03 0.93 -1.63 1.67 3.38 -0.61 -2.89 115.31 117.19 3ihy h LEU 658 Ca 0.27 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3ihy h LEU 658 Cb -0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3ihy h LEU 658 CO -0.05 1.31 -0.19 0.03 0.09 0.00 0.00 178.44 179.62 3ihy h ARG 659 N 0.63 0.00 0.00 1.13 3.08 -0.69 0.13 114.38 118.66 3ihy h ARG 659 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3ihy h ARG 659 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3ihy h ARG 659 CO 0.13 0.19 -0.04 1.57 -1.07 0.00 0.00 179.97 180.75 3ihy h LYS 660 N 0.00 0.00 -0.85 0.04 2.10 -0.77 -2.39 116.57 114.70 3ihy h LYS 660 Ca -0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 3ihy h LYS 660 Cb 0.36 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.56 3ihy h LYS 660 CO 0.03 0.04 0.27 0.39 -2.00 0.00 0.00 179.45 178.18 3ihy n GLU 661 N -3.12 2.94 -2.67 0.07 -0.58 -0.83 -4.91 120.64 111.54 3ihy n GLU 661 Ca 0.03 -2.38 -0.17 0.00 -0.42 0.00 0.00 57.16 54.22 3ihy n GLU 661 Cb 0.49 -2.00 0.02 0.00 -0.57 0.00 0.00 31.44 29.37 3ihy n GLU 661 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3ihy n ASN 662 N -0.18 -4.97 -3.92 1.62 5.15 -0.90 -5.00 115.26 107.05 3ihy n ASN 662 Ca 0.35 -0.16 -0.30 0.00 -0.60 0.00 0.00 54.58 53.87 3ihy n ASN 662 Cb 1.21 -3.91 -0.16 0.00 -0.53 0.00 0.00 39.78 36.40 3ihy n ASN 662 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3ihy s LEU 663 N -5.02 2.22 -0.51 1.20 2.96 0.40 -4.97 118.68 114.96 3ihy s LEU 663 Ca 0.16 -1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 52.93 3ihy s LEU 663 Cb -0.07 -1.09 0.12 0.00 0.50 0.00 0.00 46.19 45.65 3ihy s LEU 663 CO 0.20 -0.22 0.44 -0.62 -1.32 0.00 0.00 176.35 174.83 3ihy s ASP 664 N 1.48 6.07 -0.07 3.68 -1.08 -1.26 -2.31 116.67 123.18 3ihy s ASP 664 Ca -0.03 -1.72 0.03 0.00 -0.52 0.00 0.00 52.55 50.31 3ihy s ASP 664 Cb -0.18 -2.16 0.19 0.00 -1.46 0.00 0.00 42.92 39.32 3ihy s ASP 664 CO -0.07 -0.78 0.88 0.18 0.52 0.00 0.00 175.17 175.90 3ihy n LEU 665 N 5.16 2.46 -4.09 -1.34 4.77 -1.26 -4.92 117.00 117.79 3ihy n LEU 665 Ca -0.12 -1.25 -0.32 0.00 -0.03 0.00 0.00 56.01 54.29 3ihy n LEU 665 Cb 0.41 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3ihy n LEU 665 CO 0.50 0.39 -0.08 0.29 -1.33 0.00 0.00 177.39 177.17 3ihy n LYS 666 N 0.14 -3.57 -1.40 3.23 4.76 -1.26 -2.98 118.16 117.08 3ihy n LYS 666 Ca 0.08 0.42 -0.29 0.00 -2.87 0.00 0.00 58.31 55.65 3ihy n LYS 666 Cb 0.53 -4.97 0.18 0.00 -1.84 0.00 0.00 35.03 28.94 3ihy n LYS 666 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ihy s LEU 667 N -7.17 1.66 -0.45 -0.35 1.43 -1.26 -4.73 118.68 107.81 3ihy s LEU 667 Ca 0.48 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 3ihy s LEU 667 Cb -0.26 -2.89 0.16 0.00 0.03 0.00 0.00 46.19 43.23 3ihy s LEU 667 CO 0.90 -3.13 0.31 -0.89 0.23 0.00 0.00 176.35 173.77 3ihy s THR 668 N -3.24 0.96 -1.27 5.49 2.01 -1.26 -5.02 115.64 113.32 3ihy s THR 668 Ca 0.68 -2.69 -0.13 0.00 0.31 0.00 0.00 61.69 59.85 3ihy s THR 668 Cb -0.12 -1.67 0.14 0.00 0.01 0.00 0.00 72.50 70.86 3ihy s THR 668 CO 0.55 -1.07 1.69 -0.81 -0.69 0.00 0.00 174.62 174.29 3ihy n PRO 669 N 3.12 3.36 -1.92 4.92 -0.05 -1.26 -4.93 135.00 138.25 3ihy n PRO 669 Ca 0.19 -3.55 -0.33 0.00 -0.05 0.00 0.00 63.50 59.77 3ihy n PRO 669 Cb 0.40 -3.11 0.03 0.00 -0.05 0.00 0.00 33.50 30.77 3ihy n PRO 669 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 3ihy s TYR 670 N 1.83 2.84 0.15 0.54 -0.85 -1.26 -4.86 117.35 115.74 3ihy s TYR 670 Ca 0.44 1.52 -0.26 0.00 -0.52 0.00 0.00 57.07 58.26 3ihy s TYR 670 Cb 0.03 -3.07 -0.07 0.00 0.38 0.00 0.00 41.96 39.23 3ihy s TYR 670 CO 0.01 -1.36 0.81 0.15 -1.52 0.00 0.00 175.55 173.64 3ihy s LYS 671 N -4.10 4.60 -0.05 -3.49 1.02 -1.26 -4.91 119.74 111.54 3ihy s LYS 671 Ca 0.65 1.20 -0.02 0.00 0.02 0.00 0.00 55.97 57.82 3ihy s LYS 671 Cb -0.18 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3ihy s LYS 671 CO 0.39 0.48 0.03 0.08 -0.92 0.00 0.00 175.35 175.41 3ihy s VAL 672 N -0.84 0.10 -0.17 3.17 1.01 -1.26 0.15 120.40 122.57 3ihy s VAL 672 Ca 0.38 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 3ihy s VAL 672 Cb -0.23 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 35.89 3ihy s VAL 672 CO 0.27 0.21 -0.04 -0.22 0.00 0.00 0.00 175.10 175.31 3ihy s LEU 673 N 1.98 1.59 0.11 3.92 2.96 -0.65 -4.85 118.68 123.73 3ihy s LEU 673 Ca 0.03 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 52.96 3ihy s LEU 673 Cb -0.12 -0.88 -0.06 0.00 0.50 0.00 0.00 46.19 45.62 3ihy s LEU 673 CO -0.04 -0.20 1.15 0.00 -1.32 0.00 0.00 176.35 175.95 3ihy s ALA 674 N 1.65 3.37 -1.28 5.97 0.00 -1.26 -0.15 121.76 130.07 3ihy s ALA 674 Ca 0.00 0.83 0.15 0.00 0.00 0.00 0.00 51.96 52.95 3ihy s ALA 674 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3ihy s ALA 674 CO -0.08 -0.34 0.79 0.25 0.00 0.00 0.00 175.76 176.39 3ihy n THR 675 N 3.22 0.00 -3.87 0.00 -2.24 -0.41 -4.84 114.28 106.14 3ihy n THR 675 Ca 0.06 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 3ihy n THR 675 Cb 0.46 1.15 0.02 0.00 -2.10 0.00 0.00 70.33 69.86 3ihy n THR 675 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ihy n SER 676 N -0.39 -1.88 0.28 3.42 2.88 -0.36 -4.71 113.62 112.87 3ihy n SER 676 Ca 0.06 -2.09 0.17 0.00 -1.33 0.00 0.00 58.87 55.68 3ihy n SER 676 Cb 0.31 3.08 0.79 0.00 -0.75 0.00 0.00 64.21 67.64 3ihy n SER 676 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3ihy h THR 677 N 1.98 0.14 -0.04 2.46 1.35 -1.82 -3.29 112.91 113.69 3ihy h THR 677 Ca -0.29 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3ihy h THR 677 Cb 1.20 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3ihy h THR 677 CO 0.38 0.04 0.00 0.29 -0.25 0.00 0.00 175.52 175.98 3ihy n LYS 678 N -3.20 1.04 -3.52 4.72 4.76 -1.26 -4.16 118.16 116.53 3ihy n LYS 678 Ca -0.01 -1.11 -0.11 0.00 -2.87 0.00 0.00 58.31 54.21 3ihy n LYS 678 Cb 0.26 -1.06 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 3ihy n LYS 678 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 3ihy s HIS 679 N -0.58 -0.43 0.00 2.13 -3.43 -1.21 -0.00 115.29 111.76 3ihy s HIS 679 Ca 0.04 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 3ihy s HIS 679 Cb 0.02 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.72 3ihy s HIS 679 CO 0.03 -0.90 0.00 0.41 -2.00 0.00 0.00 174.74 172.29 3ihy n GLY 680 N -0.38 -0.49 3.87 -1.38 0.00 -0.68 -1.22 105.19 104.91 3ihy n GLY 680 Ca -0.15 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 3ihy n GLY 680 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ihy s PHE 681 N -2.00 3.22 -0.17 1.61 0.08 0.78 -0.93 117.98 120.57 3ihy s PHE 681 Ca 0.00 -0.07 -0.16 0.00 0.12 0.00 0.00 56.93 56.81 3ihy s PHE 681 Cb 0.00 -1.46 0.05 0.00 -0.57 0.00 0.00 43.02 41.03 3ihy s PHE 681 CO 0.00 0.50 0.47 1.41 -0.10 0.00 0.00 175.22 177.50 3ihy s MET 682 N -3.84 0.56 0.09 0.44 -2.45 0.07 -1.64 119.30 112.52 3ihy s MET 682 Ca 0.33 0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 55.10 3ihy s MET 682 Cb -0.08 0.27 -0.06 0.00 1.25 0.00 0.00 34.83 36.21 3ihy s MET 682 CO 0.26 -0.07 1.19 -1.14 1.05 0.00 0.00 175.02 176.31 3ihy s GLN 683 N 0.21 4.45 -0.06 4.11 0.74 0.12 -0.26 119.66 128.97 3ihy s GLN 683 Ca -0.00 1.78 -0.16 0.00 0.05 0.00 0.00 55.36 57.03 3ihy s GLN 683 Cb -0.03 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 3ihy s GLN 683 CO 0.01 -0.20 0.42 0.12 -0.55 0.00 0.00 175.29 175.08 3ihy s PHE 684 N 0.80 3.62 -0.21 1.67 5.36 -1.10 -4.75 117.98 123.37 3ihy s PHE 684 Ca 0.57 0.90 0.01 0.00 -0.96 0.00 0.00 56.93 57.46 3ihy s PHE 684 Cb -0.30 -2.39 0.04 0.00 -0.34 0.00 0.00 43.02 40.03 3ihy s PHE 684 CO 0.31 0.42 -0.13 0.42 -1.46 0.00 0.00 175.22 174.78 3ihy s ILE 685 N -0.28 1.91 -0.25 3.12 -1.09 -1.26 -4.87 121.20 118.48 3ihy s ILE 685 Ca 0.23 -1.15 -0.39 0.00 -2.23 0.00 0.00 60.65 57.11 3ihy s ILE 685 Cb -0.16 -1.91 -0.15 0.00 -1.58 0.00 0.00 42.46 38.66 3ihy s ILE 685 CO 0.11 0.23 1.74 1.67 -1.23 0.00 0.00 174.94 177.47 3ihy n GLN 686 N 4.60 1.25 -3.82 2.79 7.27 -1.26 -4.88 117.38 123.33 3ihy n GLN 686 Ca -0.16 0.46 0.01 0.00 0.07 0.00 0.00 57.00 57.38 3ihy n GLN 686 Cb 0.46 -2.15 0.01 0.00 2.41 0.00 0.00 30.24 30.96 3ihy n GLN 686 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3ihy s SER 687 N 3.48 -0.03 -0.06 1.69 1.04 -1.26 -4.77 113.70 113.79 3ihy s SER 687 Ca 0.97 -0.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.13 3ihy s SER 687 Cb -1.03 0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.34 3ihy s SER 687 CO 0.64 -0.41 0.14 -0.69 0.98 0.00 0.00 173.24 173.89 3ihy s VAL 688 N -2.25 -0.07 0.23 5.02 1.01 0.13 -4.93 120.40 119.54 3ihy s VAL 688 Ca 0.22 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.10 3ihy s VAL 688 Cb 0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 36.38 36.05 3ihy s VAL 688 CO -0.01 0.08 1.56 -2.16 0.00 0.00 0.00 175.10 174.57 3ihy s PRO 689 N 1.30 4.19 0.43 2.72 0.04 -1.26 -1.51 135.00 140.91 3ihy s PRO 689 Ca -0.08 2.44 0.26 0.00 0.04 0.00 0.00 61.00 63.66 3ihy s PRO 689 Cb -0.12 -3.09 1.31 0.00 0.04 0.00 0.00 34.50 32.64 3ihy s PRO 689 CO -0.06 -0.58 1.69 0.28 0.04 0.00 0.00 177.00 178.37 3ihy h VAL 690 N 3.68 0.29 0.57 -0.36 2.07 -0.88 0.34 116.25 121.96 3ihy h VAL 690 Ca -0.45 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3ihy h VAL 690 Cb 1.21 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3ihy h VAL 690 CO 0.85 0.04 -0.32 0.00 0.02 0.00 0.00 177.57 178.15 3ihy h ALA 691 N 1.59 -0.84 -0.10 1.67 0.00 -1.42 -2.03 119.26 118.13 3ihy h ALA 691 Ca 0.72 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.49 3ihy h ALA 691 Cb 2.16 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 20.34 3ihy h ALA 691 CO -0.35 -0.98 0.08 1.49 0.00 0.00 0.00 179.25 179.49 3ihy h GLU 692 N -0.84 0.00 0.18 0.00 4.81 -0.67 0.23 114.58 118.29 3ihy h GLU 692 Ca -0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3ihy h GLU 692 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3ihy h GLU 692 CO 0.09 0.00 -0.08 0.28 -0.73 0.00 0.00 179.01 178.56 3ihy h VAL 693 N 0.00 0.91 0.21 0.32 2.07 -0.62 -1.15 116.25 117.98 3ihy h VAL 693 Ca 0.05 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ihy h VAL 693 Cb 0.20 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3ihy h VAL 693 CO -0.00 0.09 -0.14 -0.07 0.02 0.00 0.00 177.57 177.47 3ihy h LEU 694 N -0.42 -0.37 -0.85 2.57 4.07 -0.93 0.59 115.31 119.96 3ihy h LEU 694 Ca -0.02 0.03 0.15 0.00 0.08 0.00 0.00 57.88 58.11 3ihy h LEU 694 Cb 0.33 0.12 -0.15 0.00 1.08 0.00 0.00 40.66 42.04 3ihy h LEU 694 CO 0.04 -0.23 -0.33 -0.78 -1.08 0.00 0.00 178.44 176.06 3ihy h ASP 695 N -0.35 -1.19 -0.01 -0.43 3.58 -0.45 0.33 116.42 117.90 3ihy h ASP 695 Ca -0.01 0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3ihy h ASP 695 Cb 0.30 0.65 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3ihy h ASP 695 CO 0.00 -0.29 -0.51 0.35 -2.88 0.00 0.00 179.24 175.91 3ihy n THR 696 N -5.49 0.00 -0.98 2.25 -2.24 -0.44 -4.57 114.28 102.81 3ihy n THR 696 Ca 0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ihy n THR 696 Cb 0.40 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3ihy n THR 696 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ihy n GLU 697 N -0.27 0.00 0.00 -0.78 -0.58 0.20 -5.06 120.64 114.16 3ihy n GLU 697 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3ihy n GLU 697 Cb 0.41 -0.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 3ihy n GLU 697 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihy n GLY 698 N 0.00 2.06 3.44 0.62 0.00 0.11 -4.64 105.19 106.79 3ihy n GLY 698 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3ihy n GLY 698 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ihy s SER 699 N 0.00 -0.53 0.25 1.61 1.04 -1.26 -4.80 113.70 110.01 3ihy s SER 699 Ca 0.00 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 3ihy s SER 699 Cb 0.00 0.55 0.29 0.00 0.10 0.00 0.00 66.02 66.96 3ihy s SER 699 CO 0.00 -0.87 1.67 0.40 0.98 0.00 0.00 173.24 175.42 3ihy h ILE 700 N 2.05 1.27 0.19 -1.02 2.04 -1.89 -2.35 117.51 117.78 3ihy h ILE 700 Ca -0.31 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.27 3ihy h ILE 700 Cb 1.29 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3ihy h ILE 700 CO 0.36 0.42 -0.47 1.56 0.00 0.00 0.00 178.15 180.03 3ihy h GLN 701 N 0.57 -0.72 -0.71 2.37 1.08 -1.86 -0.64 115.11 115.20 3ihy h GLN 701 Ca 0.08 0.05 0.14 0.00 -1.45 0.00 0.00 58.65 57.47 3ihy h GLN 701 Cb 0.69 0.16 -0.13 0.00 -0.05 0.00 0.00 27.48 28.15 3ihy h GLN 701 CO 0.05 -0.48 -0.23 -0.91 -0.95 0.00 0.00 178.83 176.31 3ihy h ASN 702 N -0.75 -0.83 -0.52 1.46 4.21 -1.81 -1.00 115.58 116.35 3ihy h ASN 702 Ca -0.00 0.23 0.09 0.00 1.21 0.00 0.00 56.30 57.83 3ihy h ASN 702 Cb 0.74 0.50 -0.07 0.00 -1.12 0.00 0.00 38.32 38.36 3ihy h ASN 702 CO -0.23 -0.26 0.10 0.15 -1.29 0.00 0.00 177.43 175.90 3ihy h PHE 703 N -0.04 0.15 -0.37 1.19 3.57 -0.87 -1.33 116.94 119.24 3ihy h PHE 703 Ca 0.32 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.71 3ihy h PHE 703 Cb 0.54 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3ihy h PHE 703 CO -0.61 -0.02 -0.35 0.74 -2.23 0.00 0.00 178.31 175.84 3ihy h PHE 704 N 0.23 1.01 -0.65 0.41 0.04 -0.03 -2.01 116.94 115.94 3ihy h PHE 704 Ca 0.27 -0.29 0.03 0.00 2.80 0.00 0.00 57.97 60.77 3ihy h PHE 704 Cb 0.37 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 3ihy h PHE 704 CO -0.24 1.08 0.41 0.00 -0.60 0.00 0.00 178.31 178.96 3ihy h ARG 705 N 0.71 0.78 -0.22 1.51 3.08 -0.77 1.94 114.38 121.41 3ihy h ARG 705 Ca 0.07 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3ihy h ARG 705 Cb 0.92 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3ihy h ARG 705 CO 0.08 0.52 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.06 3ihy h LYS 706 N 0.81 0.39 0.00 0.04 3.64 -1.04 -3.25 116.57 117.17 3ihy h LYS 706 Ca 0.26 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3ihy h LYS 706 Cb 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3ihy h LYS 706 CO -0.10 0.60 -1.55 0.66 -2.27 0.00 0.00 179.45 176.80 3ihy n TYR 707 N -4.15 0.00 -3.40 1.91 4.02 -0.78 -4.81 117.16 109.95 3ihy n TYR 707 Ca -0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 3ihy n TYR 707 Cb 0.37 -0.33 -0.10 0.00 -0.02 0.00 0.00 39.34 39.26 3ihy n TYR 707 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ihy n ALA 708 N -2.04 2.86 -2.53 -0.72 0.00 0.65 -5.04 120.51 113.69 3ihy n ALA 708 Ca -0.07 -3.17 -0.41 0.00 0.00 0.00 0.00 53.44 49.79 3ihy n ALA 708 Cb 0.47 -0.76 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 3ihy n ALA 708 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ihy s PRO 709 N -0.06 3.45 -0.10 0.00 0.04 -1.22 -2.09 135.00 135.02 3ihy s PRO 709 Ca 0.33 -0.55 0.03 0.00 0.04 0.00 0.00 61.00 60.84 3ihy s PRO 709 Cb 0.04 -3.84 -0.01 0.00 0.04 0.00 0.00 34.50 30.74 3ihy s PRO 709 CO -0.19 -0.56 -0.19 0.45 0.04 0.00 0.00 177.00 176.55 3ihy s SER 710 N 1.73 3.55 0.00 6.66 0.15 -0.37 -4.74 113.70 120.68 3ihy s SER 710 Ca 0.10 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3ihy s SER 710 Cb -0.17 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 3ihy s SER 710 CO 0.11 0.19 0.61 1.21 1.20 0.00 0.00 173.24 176.57 3ihy n GLU 711 N 3.32 0.00 -0.68 5.44 4.07 -1.26 -2.58 120.64 128.96 3ihy n GLU 711 Ca -0.18 0.61 0.08 0.00 -0.06 0.00 0.00 57.16 57.61 3ihy n GLU 711 Cb 0.53 -1.06 0.34 0.00 -0.06 0.00 0.00 31.44 31.19 3ihy n GLU 711 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3ihy n ASN 712 N -1.66 4.84 -4.72 4.31 4.13 -1.26 -4.68 115.26 116.22 3ihy n ASN 712 Ca 0.00 -2.98 -0.30 0.00 1.68 0.00 0.00 54.58 52.98 3ihy n ASN 712 Cb 0.00 -0.62 0.14 0.00 -1.54 0.00 0.00 39.78 37.76 3ihy n ASN 712 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3ihy s GLY 713 N -1.36 1.62 0.07 7.41 0.00 -1.06 -4.91 107.32 109.08 3ihy s GLY 713 Ca 0.49 -0.07 -0.33 0.00 0.00 0.00 0.00 44.72 44.81 3ihy s GLY 713 CO 0.12 0.42 1.77 -1.05 0.00 0.00 0.00 173.10 174.36 3ihy n PRO 714 N -3.89 2.38 -2.71 2.90 -0.02 -1.23 -1.39 135.00 131.03 3ihy n PRO 714 Ca 0.07 0.86 -0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3ihy n PRO 714 Cb 0.55 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 3ihy n PRO 714 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ihy n ASN 715 N 5.24 -2.99 -0.77 2.55 5.03 -1.26 -1.10 115.26 121.96 3ihy n ASN 715 Ca 0.19 0.12 -0.06 0.00 0.87 0.00 0.00 54.58 55.70 3ihy n ASN 715 Cb 0.32 -2.57 0.00 0.00 -1.02 0.00 0.00 39.78 36.52 3ihy n ASN 715 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ihy n GLY 716 N -0.80 0.24 3.09 7.41 0.00 -0.49 -4.92 105.19 109.73 3ihy n GLY 716 Ca -0.07 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 3ihy n GLY 716 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihy s ILE 717 N -2.46 1.34 -0.43 -0.61 1.01 -0.26 -1.24 121.20 118.55 3ihy s ILE 717 Ca 0.03 -0.64 -0.44 0.00 0.00 0.00 0.00 60.65 59.61 3ihy s ILE 717 Cb -0.02 -1.18 -0.18 0.00 0.01 0.00 0.00 42.46 41.09 3ihy s ILE 717 CO 0.04 0.40 1.77 -0.24 0.00 0.00 0.00 174.94 176.91 3ihy n SER 718 N 3.43 1.52 -0.33 3.58 2.88 -0.89 -3.49 113.62 120.31 3ihy n SER 718 Ca -0.20 1.03 0.05 0.00 -1.33 0.00 0.00 58.87 58.42 3ihy n SER 718 Cb 0.53 -0.98 0.21 0.00 -0.75 0.00 0.00 64.21 63.22 3ihy n SER 718 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ihy h ALA 719 N 6.74 1.36 -0.37 -1.46 0.00 -1.94 0.44 119.26 124.03 3ihy h ALA 719 Ca -0.38 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3ihy h ALA 719 Cb 1.36 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3ihy h ALA 719 CO 1.00 0.16 0.13 1.49 0.00 0.00 0.00 179.25 182.03 3ihy h GLU 720 N 0.90 0.28 -0.32 0.00 4.81 -1.98 0.03 114.58 118.29 3ihy h GLU 720 Ca 0.45 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.61 3ihy h GLU 720 Cb 0.44 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3ihy h GLU 720 CO -0.26 0.19 -0.00 0.28 -0.73 0.00 0.00 179.01 178.48 3ihy h VAL 721 N 0.29 1.26 0.00 0.32 2.07 -1.43 -2.16 116.25 116.60 3ihy h VAL 721 Ca 0.17 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3ihy h VAL 721 Cb 0.14 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3ihy h VAL 721 CO -0.17 0.31 -0.25 -0.03 0.02 0.00 0.00 177.57 177.46 3ihy h MET 722 N 0.37 0.00 -0.16 1.57 1.85 -0.81 -1.12 114.93 116.64 3ihy h MET 722 Ca 0.09 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 3ihy h MET 722 Cb 0.45 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.47 3ihy h MET 722 CO 0.02 0.25 -0.11 0.22 -0.40 0.00 0.00 176.91 176.89 3ihy h ASP 723 N 0.00 0.37 -0.53 1.39 3.58 -0.82 -1.93 116.42 118.48 3ihy h ASP 723 Ca -0.00 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 56.98 3ihy h ASP 723 Cb 0.44 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 3ihy h ASP 723 CO 0.03 0.73 0.23 0.74 -2.88 0.00 0.00 179.24 178.10 3ihy h THR 724 N 0.02 1.21 0.35 2.25 2.02 -1.04 -2.15 112.91 115.57 3ihy h THR 724 Ca 0.03 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3ihy h THR 724 Cb 0.61 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3ihy h THR 724 CO 0.03 0.24 -0.26 0.22 0.37 0.00 0.00 175.52 176.12 3ihy h TYR 725 N 0.72 -0.69 -0.63 3.16 5.03 -0.74 -0.77 116.97 123.06 3ihy h TYR 725 Ca 0.18 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.57 3ihy h TYR 725 Cb 0.16 0.26 -0.07 0.00 1.55 0.00 0.00 36.73 38.63 3ihy h TYR 725 CO 0.00 -0.39 0.28 0.28 -1.32 0.00 0.00 178.16 177.01 3ihy h VAL 726 N -0.60 0.83 -0.53 1.81 2.07 -1.21 -0.46 116.25 118.17 3ihy h VAL 726 Ca -0.03 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 3ihy h VAL 726 Cb 0.52 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3ihy h VAL 726 CO -0.00 0.09 -0.12 0.11 0.02 0.00 0.00 177.57 177.67 3ihy h LYS 727 N 0.50 1.01 -0.14 1.57 1.57 -1.33 -2.54 116.57 117.21 3ihy h LYS 727 Ca 0.31 -0.38 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 3ihy h LYS 727 Cb 0.33 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ihy h LYS 727 CO -0.27 1.06 -0.63 0.66 -0.57 0.00 0.00 179.45 179.71 3ihy h SER 728 N 0.88 0.59 -0.62 0.86 4.64 -0.46 -1.69 113.55 117.75 3ihy h SER 728 Ca 0.14 -0.34 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3ihy h SER 728 Cb 0.68 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 3ihy h SER 728 CO 0.05 1.07 0.39 0.00 -0.87 0.00 0.00 176.83 177.47 3ihy h ALA 730 N 1.26 0.60 0.17 0.00 0.00 -1.09 -0.22 119.26 119.97 3ihy h ALA 730 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ihy h ALA 730 Cb -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ihy h ALA 730 CO -0.09 0.19 -0.08 0.78 0.00 0.00 0.00 179.25 180.05 3ihy h GLY 731 N 0.61 -0.23 1.59 0.00 0.00 -1.07 -2.28 103.07 101.68 3ihy h GLY 731 Ca 0.16 0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.44 3ihy h GLY 731 CO -0.02 -0.08 -0.45 -0.97 0.00 0.00 0.00 176.54 175.02 3ihy h TYR 732 N -0.46 0.54 0.38 5.60 0.05 -1.15 0.46 116.97 122.39 3ihy h TYR 732 Ca -0.02 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.59 3ihy h TYR 732 Cb 0.36 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 3ihy h TYR 732 CO 0.00 0.82 -0.43 0.00 -1.05 0.00 0.00 178.16 177.51 3ihy h VAL 734 N -0.84 1.13 0.02 0.00 2.07 -1.11 -0.94 116.25 116.57 3ihy h VAL 734 Ca -0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3ihy h VAL 734 Cb 0.76 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3ihy h VAL 734 CO -0.09 0.14 -0.01 0.40 0.02 0.00 0.00 177.57 178.04 3ihy h ILE 735 N 0.79 1.18 -0.11 4.57 2.04 -0.86 0.13 117.51 125.25 3ihy h ILE 735 Ca 0.23 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3ihy h ILE 735 Cb -0.06 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3ihy h ILE 735 CO -0.06 0.15 -0.13 0.71 0.00 0.00 0.00 178.15 178.82 3ihy h THR 736 N -0.28 1.15 -0.18 -0.27 1.35 -0.84 -0.70 112.91 113.14 3ihy h THR 736 Ca -0.00 -0.68 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3ihy h THR 736 Cb 0.27 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3ihy h THR 736 CO 0.00 0.21 0.11 0.22 -0.25 0.00 0.00 175.52 175.81 3ihy h TYR 737 N 0.16 0.24 -0.29 4.73 3.20 -0.79 0.09 116.97 124.30 3ihy h TYR 737 Ca 0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3ihy h TYR 737 Cb 0.33 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3ihy h TYR 737 CO 0.00 0.19 0.11 0.82 -1.64 0.00 0.00 178.16 177.64 3ihy h ILE 738 N 0.22 1.18 -0.01 1.81 2.04 0.23 -2.87 117.51 120.11 3ihy h ILE 738 Ca 0.06 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3ihy h ILE 738 Cb 0.02 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3ihy h ILE 738 CO -0.01 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.51 3ihy n LEU 739 N -4.74 0.77 -3.55 1.44 4.77 -0.36 -4.71 117.00 110.61 3ihy n LEU 739 Ca -0.02 -0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 55.51 3ihy n LEU 739 Cb 0.14 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3ihy n LEU 739 CO 0.36 0.13 0.03 0.61 -1.33 0.00 0.00 177.39 177.19 3ihy n GLY 740 N 1.09 -0.34 3.68 -0.72 0.00 -0.08 -1.14 105.19 107.67 3ihy n GLY 740 Ca 0.21 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3ihy n GLY 740 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihy s VAL 741 N -3.50 4.84 0.09 1.61 1.01 -0.61 -0.37 120.40 123.46 3ihy s VAL 741 Ca 0.01 1.81 0.01 0.00 0.00 0.00 0.00 61.98 63.80 3ihy s VAL 741 Cb -0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3ihy s VAL 741 CO 0.77 0.01 0.09 0.61 0.00 0.00 0.00 175.10 176.57 3ihy n GLY 742 N 3.30 2.62 3.58 4.51 0.00 -0.22 -4.81 105.19 114.17 3ihy n GLY 742 Ca 0.06 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 3ihy n GLY 742 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihy n ASP 743 N -2.31 -2.33 -2.90 1.61 2.03 -1.26 -4.61 116.55 106.78 3ihy n ASP 743 Ca 0.01 -0.70 -0.36 0.00 0.52 0.00 0.00 54.79 54.26 3ihy n ASP 743 Cb 0.10 -4.64 0.00 0.00 -0.72 0.00 0.00 41.12 35.86 3ihy n ASP 743 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ihy n ARG 744 N -4.31 3.06 -1.32 -0.67 3.00 -1.26 -4.90 116.66 110.27 3ihy n ARG 744 Ca -0.24 -3.27 -0.30 0.00 -0.01 0.00 0.00 57.85 54.03 3ihy n ARG 744 Cb 0.65 -2.28 0.22 0.00 0.00 0.00 0.00 32.46 31.05 3ihy n ARG 744 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 3ihy s HIS 745 N -3.17 0.93 -2.23 -1.55 -3.43 -1.26 -4.94 115.29 99.64 3ihy s HIS 745 Ca 0.53 0.49 0.28 0.00 -0.80 0.00 0.00 55.06 55.56 3ihy s HIS 745 Cb 0.38 -3.60 1.36 0.00 -1.43 0.00 0.00 32.58 29.28 3ihy s HIS 745 CO -0.30 -3.46 1.91 1.28 -2.00 0.00 0.00 174.74 172.17 3ihy n LEU 746 N -4.44 0.78 -0.11 5.38 4.77 -1.26 -2.12 117.00 120.00 3ihy n LEU 746 Ca 0.13 -0.28 0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3ihy n LEU 746 Cb 0.59 -0.01 0.37 0.00 -2.33 0.00 0.00 43.42 42.05 3ihy n LEU 746 CO 0.46 0.14 0.62 0.47 -1.33 0.00 0.00 177.39 177.75 3ihy n ASP 747 N -0.36 0.65 -0.80 -1.43 8.00 -1.26 -1.22 116.55 120.12 3ihy n ASP 747 Ca 0.20 -0.47 0.11 0.00 0.71 0.00 0.00 54.79 55.33 3ihy n ASP 747 Cb 0.23 0.11 0.08 0.00 -0.02 0.00 0.00 41.12 41.51 3ihy n ASP 747 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ihy n ASN 748 N -1.11 2.67 -4.49 -2.24 5.03 -0.90 -4.86 115.26 109.36 3ihy n ASN 748 Ca 0.09 -1.83 -0.35 0.00 0.87 0.00 0.00 54.58 53.36 3ihy n ASN 748 Cb 0.33 0.08 -0.12 0.00 -1.02 0.00 0.00 39.78 39.05 3ihy n ASN 748 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ihy s LEU 749 N -1.90 3.45 -0.02 3.41 1.02 -1.23 -1.08 118.68 122.33 3ihy s LEU 749 Ca 0.24 -0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.29 3ihy s LEU 749 Cb 0.18 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 3ihy s LEU 749 CO 0.31 0.05 -0.13 -0.76 0.02 0.00 0.00 176.35 175.85 3ihy s LEU 750 N 1.09 2.85 0.02 1.79 1.02 0.67 -0.87 118.68 125.26 3ihy s LEU 750 Ca 0.03 -0.22 0.09 0.00 0.02 0.00 0.00 54.13 54.05 3ihy s LEU 750 Cb -0.14 -1.63 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 3ihy s LEU 750 CO 0.03 0.31 -0.26 -0.76 0.02 0.00 0.00 176.35 175.69 3ihy s LEU 751 N -1.08 2.12 0.21 1.79 1.43 -0.57 -1.00 118.68 121.58 3ihy s LEU 751 Ca 0.14 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3ihy s LEU 751 Cb -0.11 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3ihy s LEU 751 CO 0.03 0.28 0.08 0.42 0.23 0.00 0.00 176.35 177.39 3ihy s THR 752 N -0.72 4.03 -0.88 5.49 -4.23 0.02 0.21 115.64 119.57 3ihy s THR 752 Ca 0.11 -1.43 0.24 0.00 -1.18 0.00 0.00 61.69 59.43 3ihy s THR 752 Cb -0.10 -3.10 0.22 0.00 1.34 0.00 0.00 72.50 70.86 3ihy s THR 752 CO 0.01 -0.22 1.76 0.29 -0.54 0.00 0.00 174.62 175.91 3ihy n LYS 753 N -0.58 0.08 0.00 3.99 5.02 -1.26 -0.95 118.16 124.45 3ihy n LYS 753 Ca -0.08 0.16 0.13 0.00 -2.02 0.00 0.00 58.31 56.50 3ihy n LYS 753 Cb 0.56 -1.61 0.76 0.00 -0.02 0.00 0.00 35.03 34.72 3ihy n LYS 753 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ihy n THR 754 N -1.75 0.06 -0.25 -0.18 -2.24 -1.26 -4.70 114.28 103.96 3ihy n THR 754 Ca 0.05 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3ihy n THR 754 Cb 0.30 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 3ihy n THR 754 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihy n GLY 755 N 0.81 0.77 3.70 3.38 0.00 -0.13 -4.45 105.19 109.27 3ihy n GLY 755 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3ihy n GLY 755 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihy s LYS 756 N -0.75 4.42 -0.12 1.61 1.02 -1.22 -2.23 119.74 122.47 3ihy s LYS 756 Ca 0.00 1.57 -0.04 0.00 0.02 0.00 0.00 55.97 57.52 3ihy s LYS 756 Cb 0.00 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 3ihy s LYS 756 CO 0.00 -0.31 0.02 -1.17 -0.92 0.00 0.00 175.35 172.97 3ihy s LEU 757 N 1.76 3.67 0.14 3.17 0.20 -1.26 -0.80 118.68 125.56 3ihy s LEU 757 Ca 0.54 0.12 -0.11 0.00 0.69 0.00 0.00 54.13 55.37 3ihy s LEU 757 Cb -0.23 -1.87 0.00 0.00 -0.43 0.00 0.00 46.19 43.66 3ihy s LEU 757 CO 0.23 0.30 0.30 0.72 -0.29 0.00 0.00 176.35 177.61 3ihy s PHE 758 N -0.41 0.18 -0.07 5.38 -0.71 -0.17 -4.72 117.98 117.45 3ihy s PHE 758 Ca 0.08 -0.55 -0.02 0.00 -1.04 0.00 0.00 56.93 55.40 3ihy s PHE 758 Cb -0.12 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 3ihy s PHE 758 CO 0.02 -0.69 0.04 -1.01 -1.34 0.00 0.00 175.22 172.24 3ihy s HIS 759 N -3.90 3.25 0.35 3.49 3.76 -1.26 -0.24 115.29 120.74 3ihy s HIS 759 Ca 0.10 0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.30 3ihy s HIS 759 Cb 0.03 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.87 3ihy s HIS 759 CO -0.05 0.53 0.08 0.96 -0.85 0.00 0.00 174.74 175.41 3ihy s ILE 760 N -0.97 0.96 -0.21 0.60 -4.36 -0.24 -4.97 121.20 112.00 3ihy s ILE 760 Ca 0.16 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.50 3ihy s ILE 760 Cb -0.12 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 40.97 3ihy s ILE 760 CO 0.05 0.00 0.15 -0.67 0.24 0.00 0.00 174.94 174.71 3ihy n ASP 761 N -0.87 -5.49 -2.69 4.36 -0.08 -1.26 -4.81 116.55 105.71 3ihy n ASP 761 Ca -0.04 0.61 -0.38 0.00 -1.51 0.00 0.00 54.79 53.47 3ihy n ASP 761 Cb 0.66 -3.54 0.06 0.00 2.34 0.00 0.00 41.12 40.64 3ihy n ASP 761 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ihy n PHE 762 N 0.06 3.08 -0.31 -0.67 3.72 -1.26 -4.58 117.46 117.50 3ihy n PHE 762 Ca 0.03 -2.60 0.06 0.00 -0.05 0.00 0.00 57.45 54.89 3ihy n PHE 762 Cb 0.12 -1.29 0.26 0.00 -0.94 0.00 0.00 39.48 37.62 3ihy n PHE 762 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ihy h GLY 763 N 2.61 1.37 -6.19 1.37 0.00 -1.91 -3.40 103.07 96.92 3ihy h GLY 763 Ca 0.59 -0.40 -0.67 0.00 0.00 0.00 0.00 47.33 46.84 3ihy h GLY 763 CO 1.50 0.25 -0.82 -0.19 0.00 0.00 0.00 176.54 177.29 3ihy s TYR 764 N -5.89 2.82 0.21 5.60 2.02 -1.26 -4.90 117.35 115.95 3ihy s TYR 764 Ca -0.11 -1.33 -0.00 0.00 -0.37 0.00 0.00 57.07 55.25 3ihy s TYR 764 Cb 0.21 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 3ihy s TYR 764 CO 0.80 -0.67 0.14 0.96 -1.57 0.00 0.00 175.55 175.21 3ihy s ILE 765 N 1.21 0.02 -1.43 2.71 -4.36 -1.26 -1.05 121.20 117.05 3ihy s ILE 765 Ca 0.02 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.31 3ihy s ILE 765 Cb -0.14 -2.51 0.04 0.00 1.25 0.00 0.00 42.46 41.11 3ihy s ILE 765 CO -0.07 0.00 1.11 0.18 0.24 0.00 0.00 174.94 176.40 3ihy n LEU 766 N -0.31 -3.08 0.00 0.37 4.77 -0.26 -2.83 117.00 115.66 3ihy n LEU 766 Ca 0.02 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3ihy n LEU 766 Cb 0.66 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 3ihy n LEU 766 CO 0.33 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3ihy n GLY 767 N -1.89 1.30 3.76 -0.72 0.00 0.50 -4.98 105.19 103.16 3ihy n GLY 767 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3ihy n GLY 767 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ihy s ARG 768 N -0.73 3.04 0.08 1.61 3.52 -1.13 -4.93 118.95 120.42 3ihy s ARG 768 Ca 0.00 1.81 -0.26 0.00 -0.13 0.00 0.00 55.73 57.16 3ihy s ARG 768 Cb 0.00 -1.96 0.07 0.00 -1.56 0.00 0.00 34.95 31.51 3ihy s ARG 768 CO 0.00 -1.15 0.66 0.34 -0.81 0.00 0.00 175.30 174.34 3ihy s ASP 769 N -1.59 -0.57 0.11 -2.12 2.15 -1.26 -3.86 116.67 109.53 3ihy s ASP 769 Ca 0.76 0.21 0.24 0.00 0.43 0.00 0.00 52.55 54.20 3ihy s ASP 769 Cb -0.30 0.55 0.94 0.00 -0.30 0.00 0.00 42.92 43.81 3ihy s ASP 769 CO 0.33 -0.82 1.75 -2.65 -0.17 0.00 0.00 175.17 173.61 3ihy n PRO 770 N 0.02 0.12 -4.52 4.34 -0.02 -1.26 -4.83 135.00 128.84 3ihy n PRO 770 Ca -0.17 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 3ihy n PRO 770 Cb 0.62 -1.66 -0.13 0.00 -0.02 0.00 0.00 33.50 32.30 3ihy n PRO 770 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ihy s LYS 771 N -3.09 1.50 0.42 -0.52 1.02 -1.26 -5.10 119.74 112.71 3ihy s LYS 771 Ca 0.10 -1.29 -0.26 0.00 0.02 0.00 0.00 55.97 54.54 3ihy s LYS 771 Cb 0.13 -1.91 -0.10 0.00 -0.52 0.00 0.00 37.83 35.43 3ihy s LYS 771 CO 0.47 0.46 1.39 -0.35 -0.92 0.00 0.00 175.35 176.41 3ihy n PRO 772 N 1.14 2.26 -3.68 -1.68 -0.04 -1.26 -4.02 135.00 127.72 3ihy n PRO 772 Ca -0.18 0.80 -0.25 0.00 -0.04 0.00 0.00 63.50 63.84 3ihy n PRO 772 Cb 0.53 -2.55 0.01 0.00 -0.04 0.00 0.00 33.50 31.44 3ihy n PRO 772 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ihy n LEU 773 N 0.14 -2.72 -4.80 1.53 4.77 -1.26 -4.94 117.00 109.71 3ihy n LEU 773 Ca 0.05 -0.86 -0.33 0.00 -0.03 0.00 0.00 56.01 54.83 3ihy n LEU 773 Cb 0.40 -2.08 0.01 0.00 -2.33 0.00 0.00 43.42 39.42 3ihy n LEU 773 CO 0.61 0.19 0.72 -2.16 -1.33 0.00 0.00 177.39 175.41 3ihy s PRO 774 N -5.16 3.32 0.29 3.23 0.04 -1.26 -5.03 135.00 130.44 3ihy s PRO 774 Ca 0.17 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.12 3ihy s PRO 774 Cb -0.07 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3ihy s PRO 774 CO 0.87 -0.81 1.01 -1.25 0.04 0.00 0.00 177.00 176.87 3ihy s PRO 775 N -4.08 4.63 0.42 0.56 0.04 -1.26 -4.92 135.00 130.39 3ihy s PRO 775 Ca 0.63 1.58 0.35 0.00 0.04 0.00 0.00 61.00 63.61 3ihy s PRO 775 Cb -0.16 -3.06 1.38 0.00 0.04 0.00 0.00 34.50 32.70 3ihy s PRO 775 CO 0.37 0.27 1.34 -2.30 0.04 0.00 0.00 177.00 176.72 3ihy n PRO 776 N 0.99 -0.02 -5.07 0.56 -0.02 -1.26 -4.27 135.00 125.92 3ihy n PRO 776 Ca 0.00 1.01 -0.31 0.00 -2.02 0.00 0.00 63.50 62.17 3ihy n PRO 776 Cb 0.47 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 3ihy n PRO 776 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3ihy s MET 777 N -4.81 2.90 -1.00 -0.52 -1.94 -1.26 -4.72 119.30 107.95 3ihy s MET 777 Ca -0.05 -0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 53.07 3ihy s MET 777 Cb 0.25 -2.23 0.29 0.00 2.01 0.00 0.00 34.83 35.15 3ihy s MET 777 CO 0.73 0.13 1.31 1.63 -0.01 0.00 0.00 175.02 178.81 3ihy n LYS 778 N 3.64 4.01 -1.60 2.03 4.76 -1.26 -4.98 118.16 124.76 3ihy n LYS 778 Ca -0.19 -4.57 -0.23 0.00 -2.87 0.00 0.00 58.31 50.45 3ihy n LYS 778 Cb 0.53 -2.47 0.15 0.00 -1.84 0.00 0.00 35.03 31.40 3ihy n LYS 778 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3ihy n LEU 779 N 1.37 0.00 -3.61 -0.35 4.77 -1.26 -5.04 117.00 112.88 3ihy n LEU 779 Ca 0.26 -1.23 -0.02 0.00 -0.03 0.00 0.00 56.01 55.00 3ihy n LEU 779 Cb 0.35 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 3ihy n LEU 779 CO 0.64 -1.21 0.35 0.21 -1.33 0.00 0.00 177.39 176.06 3ihy s ASN 780 N -4.79 -0.99 0.22 -1.43 3.84 -1.26 -5.06 114.94 105.47 3ihy s ASN 780 Ca 0.59 1.40 -0.11 0.00 0.21 0.00 0.00 52.86 54.95 3ihy s ASN 780 Cb -0.02 2.00 0.30 0.00 -0.55 0.00 0.00 41.25 42.98 3ihy s ASN 780 CO 0.41 -0.20 1.64 0.07 -2.79 0.00 0.00 177.10 176.23 3ihy h LYS 781 N 7.66 0.07 0.00 0.43 5.09 -1.96 -1.42 116.57 126.43 3ihy h LYS 781 Ca -0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.52 3ihy h LYS 781 Cb 1.13 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 33.44 3ihy h LYS 781 CO 0.11 0.04 -0.06 1.05 -2.09 0.00 0.00 179.45 178.50 3ihy h GLU 782 N 0.07 0.00 -0.37 0.07 9.09 -1.98 -1.79 114.58 119.66 3ihy h GLU 782 Ca 0.33 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.78 3ihy h GLU 782 Cb 0.54 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.60 3ihy h GLU 782 CO -0.60 0.06 0.14 0.52 0.05 0.00 0.00 179.01 179.18 3ihy h MET 783 N 0.00 0.29 -0.18 1.06 2.86 -1.69 -2.08 114.93 115.19 3ihy h MET 783 Ca -0.00 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 3ihy h MET 783 Cb 0.86 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3ihy h MET 783 CO 0.01 0.19 -0.56 0.28 1.06 0.00 0.00 176.91 177.89 3ihy h VAL 784 N 0.30 1.32 0.00 -2.22 2.07 -1.20 -2.90 116.25 113.62 3ihy h VAL 784 Ca 0.17 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 3ihy h VAL 784 Cb 0.13 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3ihy h VAL 784 CO -0.16 0.56 -0.20 -0.33 0.02 0.00 0.00 177.57 177.45 3ihy h GLU 785 N 0.41 0.00 0.00 1.57 5.08 -1.27 -0.85 114.58 119.52 3ihy h GLU 785 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3ihy h GLU 785 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3ihy h GLU 785 CO 0.10 0.20 -0.24 0.78 -1.00 0.00 0.00 179.01 178.86 3ihy h GLY 786 N 1.98 0.00 1.75 -3.84 0.00 -1.17 -2.76 103.07 99.04 3ihy h GLY 786 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3ihy h GLY 786 CO 0.03 0.00 -0.71 -0.33 0.00 0.00 0.00 176.54 175.52 3ihy h MET 787 N 0.00 0.00 0.00 4.80 2.86 -1.16 -3.44 114.93 117.99 3ihy h MET 787 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ihy h MET 787 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3ihy h MET 787 CO 0.03 0.44 0.00 0.41 1.06 0.00 0.00 176.91 178.85 3ihy n GLY 788 N 1.26 1.09 0.74 8.32 0.00 -0.59 -4.57 105.19 111.43 3ihy n GLY 788 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3ihy n GLY 788 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihy n GLY 789 N -0.03 -2.82 0.36 -0.02 0.00 -0.86 -3.55 105.19 98.27 3ihy n GLY 789 Ca 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 46.02 44.91 3ihy n GLY 789 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ihy h THR 790 N -0.73 0.08 0.00 2.61 1.35 -1.97 -2.22 112.91 112.03 3ihy h THR 790 Ca -0.09 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.65 3ihy h THR 790 Cb 0.71 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 3ihy h THR 790 CO 0.04 0.00 -0.74 1.56 -0.25 0.00 0.00 175.52 176.13 3ihy h GLN 791 N 0.00 0.00 -7.22 4.72 1.08 -1.99 -3.46 115.11 108.24 3ihy h GLN 791 Ca 0.08 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.82 3ihy h GLN 791 Cb 1.16 0.00 0.19 0.00 -0.05 0.00 0.00 27.48 28.79 3ihy h GLN 791 CO -0.00 0.49 0.11 -1.54 -0.95 0.00 0.00 178.83 176.94 3ihy s SER 792 N -6.32 1.89 0.15 1.46 1.04 -0.84 -4.95 113.70 106.12 3ihy s SER 792 Ca 0.02 1.61 0.23 0.00 0.48 0.00 0.00 55.95 58.29 3ihy s SER 792 Cb 0.08 -2.29 0.10 0.00 0.10 0.00 0.00 66.02 64.01 3ihy s SER 792 CO 0.77 -3.65 1.11 -1.84 0.98 0.00 0.00 173.24 170.60 3ihy n GLU 793 N -4.56 0.46 -0.31 4.02 0.28 -1.26 -3.23 120.64 116.05 3ihy n GLU 793 Ca 0.06 0.08 0.01 0.00 -0.16 0.00 0.00 57.16 57.15 3ihy n GLU 793 Cb 0.54 -1.74 0.20 0.00 1.43 0.00 0.00 31.44 31.87 3ihy n GLU 793 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 3ihy h GLN 794 N 0.00 1.11 -0.33 3.44 7.50 -1.93 0.04 115.11 124.95 3ihy h GLN 794 Ca 0.00 -0.07 -0.12 0.00 0.50 0.00 0.00 58.65 58.96 3ihy h GLN 794 Cb 0.88 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 3ihy h GLN 794 CO 0.00 0.74 -0.28 -0.92 -1.50 0.00 0.00 178.83 176.87 3ihy h TYR 795 N 1.15 0.78 0.06 2.96 3.20 -1.79 0.11 116.97 123.44 3ihy h TYR 795 Ca 0.36 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3ihy h TYR 795 Cb 0.01 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3ihy h TYR 795 CO -0.00 0.89 -0.03 1.96 -1.64 0.00 0.00 178.16 179.34 3ihy h GLN 796 N 0.59 -0.07 -0.73 1.82 1.08 -1.52 -2.84 115.11 113.43 3ihy h GLN 796 Ca 0.07 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 3ihy h GLN 796 Cb 0.78 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 3ihy h GLN 796 CO 0.06 0.02 0.27 1.49 -0.95 0.00 0.00 178.83 179.72 3ihy h GLU 797 N -0.15 1.12 -0.35 1.46 4.57 -0.73 -2.14 114.58 118.35 3ihy h GLU 797 Ca -0.01 -0.22 0.07 0.00 -1.18 0.00 0.00 59.36 58.03 3ihy h GLU 797 Cb 0.13 -0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 28.46 3ihy h GLU 797 CO 0.01 0.93 -0.37 0.35 -1.18 0.00 0.00 179.01 178.76 3ihy h PHE 798 N 1.07 -1.03 -0.51 0.92 3.57 -0.78 -2.55 116.94 117.62 3ihy h PHE 798 Ca 0.24 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3ihy h PHE 798 Cb 0.25 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3ihy h PHE 798 CO 0.02 -0.41 0.23 0.00 -2.23 0.00 0.00 178.31 175.92 3ihy h ARG 799 N -0.31 0.72 -0.59 1.11 3.08 -1.16 -1.48 114.38 115.74 3ihy h ARG 799 Ca 0.14 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.17 3ihy h ARG 799 Cb 0.56 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 3ihy h ARG 799 CO -0.52 0.57 0.28 0.87 -1.07 0.00 0.00 179.97 180.11 3ihy h LYS 800 N 0.72 0.51 -0.19 0.04 1.57 -1.11 -2.46 116.57 115.64 3ihy h LYS 800 Ca 0.18 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3ihy h LYS 800 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3ihy h LYS 800 CO -0.02 0.33 -0.45 1.96 -0.57 0.00 0.00 179.45 180.70 3ihy h GLN 801 N 0.52 0.48 -0.87 3.15 1.08 -0.89 -2.34 115.11 116.24 3ihy h GLN 801 Ca 0.27 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3ihy h GLN 801 Cb 0.24 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3ihy h GLN 801 CO -0.21 0.84 0.45 0.00 -0.95 0.00 0.00 178.83 178.95 3ihy h TYR 803 N 1.23 -0.44 0.57 0.00 0.05 -1.23 -0.23 116.97 116.93 3ihy h TYR 803 Ca 0.30 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 3ihy h TYR 803 Cb 0.08 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3ihy h TYR 803 CO 0.01 -0.21 -0.47 1.15 -1.05 0.00 0.00 178.16 177.59 3ihy h THR 804 N -0.56 0.06 -0.91 -2.88 2.02 -1.28 -1.63 112.91 107.73 3ihy h THR 804 Ca -0.05 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.30 3ihy h THR 804 Cb 0.42 0.06 -0.16 0.00 -1.74 0.00 0.00 68.15 66.73 3ihy h THR 804 CO 0.08 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.68 3ihy h ALA 805 N -0.84 0.39 -0.33 6.16 0.00 -0.93 -1.18 119.26 122.53 3ihy h ALA 805 Ca -0.07 0.31 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3ihy h ALA 805 Cb 0.87 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3ihy h ALA 805 CO -0.01 -0.50 -0.02 0.35 0.00 0.00 0.00 179.25 179.08 3ihy h PHE 806 N -0.02 0.66 0.16 0.00 3.57 -0.62 -1.24 116.94 119.45 3ihy h PHE 806 Ca 0.39 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3ihy h PHE 806 Cb 0.64 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3ihy h PHE 806 CO -0.76 0.73 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.90 3ihy h LEU 807 N 0.39 -0.19 -0.57 0.59 3.38 -0.60 -0.94 115.31 117.38 3ihy h LEU 807 Ca 0.09 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3ihy h LEU 807 Cb 0.48 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 3ihy h LEU 807 CO 0.02 -0.04 0.08 0.45 0.09 0.00 0.00 178.44 179.04 3ihy h HIS 808 N -0.32 0.12 0.00 1.13 3.86 -1.11 -2.08 115.15 116.75 3ihy h HIS 808 Ca -0.02 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 3ihy h HIS 808 Cb 0.25 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3ihy h HIS 808 CO -0.04 -0.06 -0.37 -0.07 0.86 0.00 0.00 177.93 178.24 3ihy h LEU 809 N 0.21 0.00 -1.65 2.43 3.38 -1.01 -2.67 115.31 115.99 3ihy h LEU 809 Ca 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3ihy h LEU 809 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3ihy h LEU 809 CO -0.41 0.37 -0.18 0.03 0.09 0.00 0.00 178.44 178.34 3ihy h ARG 810 N 0.00 0.00 -0.47 1.13 3.08 -0.45 -1.77 114.38 115.90 3ihy h ARG 810 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3ihy h ARG 810 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3ihy h ARG 810 CO 0.05 0.18 0.04 0.00 -1.07 0.00 0.00 179.97 179.17 3ihy h ARG 811 N 0.00 0.75 -0.52 0.04 2.47 -1.29 -2.66 114.38 113.17 3ihy h ARG 811 Ca -0.00 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 3ihy h ARG 811 Cb 0.31 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3ihy h ARG 811 CO 0.02 0.73 0.00 0.66 0.56 0.00 0.00 179.97 181.94 3ihy n TYR 812 N -4.25 0.70 -0.08 3.04 4.01 -0.70 -4.48 117.16 115.41 3ihy n TYR 812 Ca 0.03 -0.35 -0.02 0.00 -0.16 0.00 0.00 57.90 57.40 3ihy n TYR 812 Cb 0.26 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 3ihy n TYR 812 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3ihy n SER 813 N 1.01 -0.19 -0.18 7.72 2.88 -1.00 -2.04 113.62 121.82 3ihy n SER 813 Ca 0.17 0.51 -0.01 0.00 -1.33 0.00 0.00 58.87 58.21 3ihy n SER 813 Cb 0.44 -0.14 0.08 0.00 -0.75 0.00 0.00 64.21 63.85 3ihy n SER 813 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3ihy h ASN 814 N 0.00 -0.15 0.51 -3.46 4.21 -1.85 -0.64 115.58 114.20 3ihy h ASN 814 Ca 0.03 0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.64 3ihy h ASN 814 Cb 0.07 0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 3ihy h ASN 814 CO -0.17 -0.05 -0.42 0.25 -1.29 0.00 0.00 177.43 175.75 3ihy h LEU 815 N 0.16 -1.13 -0.92 1.61 5.85 -1.69 0.10 115.31 119.30 3ihy h LEU 815 Ca 0.28 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.19 3ihy h LEU 815 Cb 0.43 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 3ihy h LEU 815 CO -0.43 -0.59 0.56 0.40 -0.34 0.00 0.00 178.44 178.04 3ihy h ILE 816 N -0.91 0.94 0.15 4.05 2.04 -0.92 0.97 117.51 123.83 3ihy h ILE 816 Ca -0.07 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3ihy h ILE 816 Cb 0.76 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3ihy h ILE 816 CO -0.00 0.17 -0.07 -0.07 0.00 0.00 0.00 178.15 178.17 3ihy h LEU 817 N 0.92 -0.17 -1.09 1.44 3.38 -1.08 -2.15 115.31 116.55 3ihy h LEU 817 Ca 0.44 -0.29 0.19 0.00 0.09 0.00 0.00 57.88 58.32 3ihy h LEU 817 Cb 0.39 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 3ihy h LEU 817 CO -0.24 0.21 0.61 0.78 0.09 0.00 0.00 178.44 179.89 3ihy h ASN 818 N -0.59 0.73 -0.65 -0.43 4.21 0.41 0.54 115.58 119.80 3ihy h ASN 818 Ca -0.02 0.09 -0.07 0.00 1.21 0.00 0.00 56.30 57.51 3ihy h ASN 818 Cb 0.45 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 3ihy h ASN 818 CO 0.03 0.26 0.14 -0.07 -1.29 0.00 0.00 177.43 176.51 3ihy h LEU 819 N 0.71 1.01 -1.25 1.61 3.38 -0.63 -2.17 115.31 117.98 3ihy h LEU 819 Ca 0.56 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 3ihy h LEU 819 Cb 0.95 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ihy h LEU 819 CO -0.35 0.98 -0.24 -0.26 0.09 0.00 0.00 178.44 178.67 3ihy h PHE 820 N 1.01 0.00 -0.22 1.13 0.04 -0.30 -2.89 116.94 115.71 3ihy h PHE 820 Ca 0.21 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.91 3ihy h PHE 820 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3ihy h PHE 820 CO 0.03 0.24 -0.17 0.77 -0.60 0.00 0.00 178.31 178.57 3ihy h SER 821 N 0.00 0.36 1.53 2.17 0.02 -0.46 -2.65 113.55 114.51 3ihy h SER 821 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3ihy h SER 821 Cb 0.69 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3ihy h SER 821 CO 0.03 0.55 0.00 -0.07 -1.14 0.00 0.00 176.83 176.20 3ihy h LEU 822 N 0.34 0.00 -1.06 5.07 3.38 -1.40 -3.05 115.31 118.59 3ihy h LEU 822 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ihy h LEU 822 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ihy h LEU 822 CO 0.03 0.00 -0.12 0.23 0.09 0.00 0.00 178.44 178.67 3ihy n MET 823 N -2.70 1.55 0.21 1.13 2.81 -1.01 -4.46 117.12 114.65 3ihy n MET 823 Ca 0.04 -1.06 0.12 0.00 -1.81 0.00 0.00 57.70 54.99 3ihy n MET 823 Cb 0.43 -1.48 0.69 0.00 -0.71 0.00 0.00 33.22 32.15 3ihy n MET 823 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3ihy h VAL 824 N 2.58 0.86 -0.64 2.03 -1.51 -1.49 0.18 116.25 118.25 3ihy h VAL 824 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.29 3ihy h VAL 824 Cb 0.64 0.93 -0.11 0.00 -2.13 0.00 0.00 31.29 30.62 3ihy h VAL 824 CO 0.00 0.00 0.20 0.47 -1.23 0.00 0.00 177.57 177.01 3ihy n ASP 825 N -4.38 4.57 -4.81 4.19 10.43 -1.26 -4.65 116.55 120.64 3ihy n ASP 825 Ca 0.00 -3.24 -0.33 0.00 2.57 0.00 0.00 54.79 53.79 3ihy n ASP 825 Cb 0.22 -0.71 -0.03 0.00 1.84 0.00 0.00 41.12 42.43 3ihy n ASP 825 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ihy s ALA 826 N -2.99 2.92 -1.33 2.24 0.00 0.05 -4.94 121.76 117.70 3ihy s ALA 826 Ca 0.53 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 3ihy s ALA 826 Cb 0.43 -3.20 0.13 0.00 0.00 0.00 0.00 23.12 20.47 3ihy s ALA 826 CO 0.12 -0.29 2.06 0.09 0.00 0.00 0.00 175.76 177.74 3ihy n ASN 827 N -1.18 5.59 -4.18 0.00 3.02 -1.26 -4.40 115.26 112.86 3ihy n ASN 827 Ca 0.08 -3.06 -0.34 0.00 -0.03 0.00 0.00 54.58 51.24 3ihy n ASN 827 Cb 0.53 -1.48 -0.15 0.00 -0.61 0.00 0.00 39.78 38.06 3ihy n ASN 827 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ihy s ILE 828 N 0.56 2.50 0.11 2.41 1.01 -1.26 -4.92 121.20 121.60 3ihy s ILE 828 Ca 0.44 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 3ihy s ILE 828 Cb 0.12 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3ihy s ILE 828 CO -0.03 0.44 1.19 -2.65 0.00 0.00 0.00 174.94 173.90 3ihy n PRO 829 N 4.66 -0.29 0.26 2.79 -0.02 -1.26 -0.14 135.00 141.00 3ihy n PRO 829 Ca -0.19 1.17 0.14 0.00 -2.02 0.00 0.00 63.50 62.60 3ihy n PRO 829 Cb 0.49 -1.73 0.68 0.00 -0.02 0.00 0.00 33.50 32.92 3ihy n PRO 829 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ihy h ASP 830 N 0.00 0.00 0.05 2.55 5.19 -1.94 -2.22 116.42 120.05 3ihy h ASP 830 Ca 0.11 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 3ihy h ASP 830 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 3ihy h ASP 830 CO -0.62 0.11 -0.47 0.40 -3.12 0.00 0.00 179.24 175.54 3ihy h ILE 831 N 0.00 1.57 -0.16 0.35 2.04 -1.57 -3.34 117.51 116.41 3ihy h ILE 831 Ca -0.00 -2.39 0.05 0.00 1.00 0.00 0.00 64.86 63.51 3ihy h ILE 831 Cb 0.48 3.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 3ihy h ILE 831 CO 0.01 0.62 0.33 0.00 0.00 0.00 0.00 178.15 179.12 3ihy h ALA 832 N -0.03 1.63 0.26 1.87 0.00 -0.01 -1.48 119.26 121.52 3ihy h ALA 832 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ihy h ALA 832 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ihy h ALA 832 CO 0.03 -0.41 -0.13 -0.07 0.00 0.00 0.00 179.25 178.67 3ihy h LEU 833 N 0.00 -0.30 -6.59 0.00 3.38 -1.53 -3.38 115.31 106.89 3ihy h LEU 833 Ca 0.08 -0.09 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 3ihy h LEU 833 Cb 0.74 0.08 -0.39 0.00 0.09 0.00 0.00 40.66 41.18 3ihy h LEU 833 CO -0.00 -0.09 -0.85 -1.61 0.09 0.00 0.00 178.44 175.97 3ihy s GLU 834 N -5.56 1.35 0.27 1.13 2.02 -0.62 -4.98 118.70 112.31 3ihy s GLU 834 Ca -0.15 -2.44 -0.01 0.00 0.02 0.00 0.00 54.97 52.40 3ihy s GLU 834 Cb 0.04 -2.01 0.62 0.00 0.10 0.00 0.00 34.13 32.88 3ihy s GLU 834 CO 0.62 -1.35 1.64 -1.00 0.02 0.00 0.00 175.26 175.19 3ihy h PRO 835 N 5.64 0.16 0.00 0.39 0.13 -1.57 -2.19 132.00 134.56 3ihy h PRO 835 Ca 0.22 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3ihy h PRO 835 Cb 0.87 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3ihy h PRO 835 CO 0.47 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.09 3ihy n ASP 836 N -5.28 0.61 -0.09 1.44 9.92 -1.26 -3.24 116.55 118.65 3ihy n ASP 836 Ca 0.19 0.63 0.05 0.00 -0.53 0.00 0.00 54.79 55.12 3ihy n ASP 836 Cb 0.62 -0.76 -0.04 0.00 -0.64 0.00 0.00 41.12 40.30 3ihy n ASP 836 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3ihy n LYS 837 N -2.14 3.08 -0.15 -1.24 4.01 -0.84 -4.70 118.16 116.17 3ihy n LYS 837 Ca 0.03 -0.22 -0.03 0.00 -0.51 0.00 0.00 58.31 57.57 3ihy n LYS 837 Cb 0.27 -1.02 0.03 0.00 -0.51 0.00 0.00 35.03 33.79 3ihy n LYS 837 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 3ihy h THR 838 N 0.42 0.49 0.09 -0.18 2.02 -1.48 -0.40 112.91 113.88 3ihy h THR 838 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ihy h THR 838 Cb 0.28 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3ihy h THR 838 CO 0.00 0.00 -0.04 0.58 0.37 0.00 0.00 175.52 176.43 3ihy h VAL 839 N -0.02 1.00 -0.85 3.16 2.07 -1.84 -2.74 116.25 117.03 3ihy h VAL 839 Ca 0.23 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3ihy h VAL 839 Cb 0.37 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3ihy h VAL 839 CO -0.51 0.08 0.50 0.50 0.02 0.00 0.00 177.57 178.16 3ihy h LYS 840 N -0.26 0.82 -0.63 1.57 3.64 -1.63 0.44 116.57 120.52 3ihy h LYS 840 Ca -0.01 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3ihy h LYS 840 Cb 0.22 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3ihy h LYS 840 CO 0.02 0.54 0.42 0.87 -2.27 0.00 0.00 179.45 179.03 3ihy h LYS 841 N 0.85 0.79 0.00 1.90 1.57 -0.81 0.15 116.57 121.03 3ihy h LYS 841 Ca 0.40 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 3ihy h LYS 841 Cb 0.33 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ihy h LYS 841 CO -0.23 0.53 -0.34 0.28 -0.57 0.00 0.00 179.45 179.11 3ihy h VAL 842 N 0.82 1.52 -0.60 0.50 2.07 -1.18 -3.35 116.25 116.04 3ihy h VAL 842 Ca 0.24 -2.00 0.09 0.00 0.82 0.00 0.00 66.70 65.84 3ihy h VAL 842 Cb -0.04 2.75 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 3ihy h VAL 842 CO -0.06 0.56 0.23 -0.61 0.02 0.00 0.00 177.57 177.71 3ihy h GLN 843 N -0.41 0.41 -0.74 1.57 4.15 0.08 -2.50 115.11 117.67 3ihy h GLN 843 Ca -0.04 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.43 3ihy h GLN 843 Cb 1.09 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.62 3ihy h GLN 843 CO 0.07 0.27 0.40 -0.44 -1.93 0.00 0.00 178.83 177.20 3ihy h ASP 844 N 0.43 0.56 0.01 -0.69 3.32 -0.88 -1.54 116.42 117.63 3ihy h ASP 844 Ca 0.29 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3ihy h ASP 844 Cb 0.34 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3ihy h ASP 844 CO -0.28 0.34 -0.00 0.11 -1.72 0.00 0.00 179.24 177.68 3ihy h LYS 845 N 0.69 0.00 0.00 3.56 1.79 -1.58 -1.17 116.57 119.87 3ihy h LYS 845 Ca 0.35 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3ihy h LYS 845 Cb 0.30 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3ihy h LYS 845 CO -0.23 0.00 -0.02 0.74 -1.08 0.00 0.00 179.45 178.86 3ihy h PHE 846 N 0.00 0.00 -6.62 -1.35 0.04 -1.34 -3.48 116.94 104.19 3ihy h PHE 846 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 3ihy h PHE 846 Cb 0.01 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3ihy h PHE 846 CO 0.00 0.02 -0.94 0.54 -0.60 0.00 0.00 178.31 177.33 3ihy n ARG 847 N -3.11 -1.87 0.26 1.51 5.12 -0.44 -4.83 116.66 113.30 3ihy n ARG 847 Ca 0.02 0.30 0.10 0.00 -1.93 0.00 0.00 57.85 56.34 3ihy n ARG 847 Cb 0.40 -3.92 0.70 0.00 -1.16 0.00 0.00 32.46 28.48 3ihy n ARG 847 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3ihy h LEU 848 N -1.98 0.00 -2.38 0.55 3.38 -1.84 -2.12 115.31 110.92 3ihy h LEU 848 Ca -0.66 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 3ihy h LEU 848 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3ihy h LEU 848 CO 0.59 0.04 -0.02 -2.24 0.09 0.00 0.00 178.44 176.90 3ihy h ASP 849 N 0.00 0.00 -3.04 -0.43 2.03 -1.96 -3.44 116.42 109.59 3ihy h ASP 849 Ca -0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 3ihy h ASP 849 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 3ihy h ASP 849 CO 0.00 0.02 -0.16 -0.76 -1.03 0.00 0.00 179.24 177.31 3ihy s LEU 850 N -6.38 4.02 0.62 0.15 1.43 -0.80 -5.11 118.68 112.61 3ihy s LEU 850 Ca -0.03 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.66 3ihy s LEU 850 Cb 0.12 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.96 3ihy s LEU 850 CO 0.48 -0.26 0.87 -0.94 0.23 0.00 0.00 176.35 176.73 3ihy s SER 851 N -3.60 4.99 0.38 2.29 1.04 -1.26 -4.77 113.70 112.77 3ihy s SER 851 Ca 0.42 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.93 3ihy s SER 851 Cb -0.10 -0.77 0.74 0.00 0.10 0.00 0.00 66.02 65.99 3ihy s SER 851 CO 0.34 -1.38 2.03 0.44 0.98 0.00 0.00 173.24 175.65 3ihy h ASP 852 N -0.20 0.61 0.70 7.02 5.19 -1.97 0.92 116.42 128.69 3ihy h ASP 852 Ca -0.42 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 3ihy h ASP 852 Cb 1.30 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 40.66 3ihy h ASP 852 CO 0.52 0.44 -0.34 -0.08 -3.12 0.00 0.00 179.24 176.67 3ihy h GLU 853 N 0.72 -0.90 -0.92 3.56 4.57 -2.00 -1.17 114.58 118.44 3ihy h GLU 853 Ca 0.20 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3ihy h GLU 853 Cb -0.08 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 3ihy h GLU 853 CO -0.04 -0.57 0.58 0.93 -1.18 0.00 0.00 179.01 178.73 3ihy h GLU 854 N -1.06 1.22 -0.77 1.92 5.08 -1.72 -2.38 114.58 116.87 3ihy h GLU 854 Ca -0.10 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3ihy h GLU 854 Cb 0.75 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 3ihy h GLU 854 CO 0.16 0.83 0.46 0.00 -1.00 0.00 0.00 179.01 179.46 3ihy h ALA 855 N 1.39 1.04 -0.31 3.43 0.00 0.91 -1.44 119.26 124.28 3ihy h ALA 855 Ca 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 3ihy h ALA 855 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ihy h ALA 855 CO -0.07 0.18 -0.28 0.28 0.00 0.00 0.00 179.25 179.36 3ihy h VAL 856 N 0.85 1.28 -0.11 0.00 2.07 -0.72 -1.87 116.25 117.75 3ihy h VAL 856 Ca 0.34 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 3ihy h VAL 856 Cb 0.16 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3ihy h VAL 856 CO -0.17 0.45 -0.23 -0.74 0.02 0.00 0.00 177.57 176.90 3ihy h HIS 857 N 0.55 0.45 -0.86 1.57 6.17 -1.24 -2.04 115.15 119.76 3ihy h HIS 857 Ca 0.07 -0.16 0.08 0.00 0.71 0.00 0.00 60.37 61.07 3ihy h HIS 857 Cb 0.77 -0.08 -0.06 0.00 2.52 0.00 0.00 27.41 30.55 3ihy h HIS 857 CO 0.03 0.84 0.56 -0.92 0.71 0.00 0.00 177.93 179.15 3ihy h TYR 858 N -0.07 0.93 -0.21 5.26 3.20 -1.20 0.16 116.97 125.04 3ihy h TYR 858 Ca 0.00 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 3ihy h TYR 858 Cb 0.81 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3ihy h TYR 858 CO 0.10 0.46 -0.46 1.98 -1.64 0.00 0.00 178.16 178.60 3ihy h MET 859 N 0.89 0.69 -0.48 1.82 4.05 -1.31 -1.78 114.93 118.81 3ihy h MET 859 Ca 0.39 -0.46 0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3ihy h MET 859 Cb 0.33 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 3ihy h MET 859 CO -0.15 1.08 0.27 0.37 0.23 0.00 0.00 176.91 178.71 3ihy h GLN 860 N 0.40 0.53 -0.28 0.39 4.15 -0.74 -1.96 115.11 117.60 3ihy h GLN 860 Ca 0.00 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.46 3ihy h GLN 860 Cb 1.07 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.56 3ihy h GLN 860 CO 0.10 0.35 -0.29 0.77 -1.93 0.00 0.00 178.83 177.83 3ihy h SER 861 N 0.55 -0.94 -0.31 -0.69 0.02 -0.57 -1.09 113.55 110.51 3ihy h SER 861 Ca 0.20 0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.35 3ihy h SER 861 Cb 0.04 0.43 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3ihy h SER 861 CO -0.10 -0.31 0.05 -0.07 -1.14 0.00 0.00 176.83 175.26 3ihy h LEU 862 N -0.28 -0.00 -0.92 5.07 3.38 -0.89 0.13 115.31 121.79 3ihy h LEU 862 Ca 0.14 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3ihy h LEU 862 Cb 0.51 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3ihy h LEU 862 CO -0.44 0.03 0.12 0.40 0.09 0.00 0.00 178.44 178.64 3ihy h ILE 863 N 0.16 1.24 -0.69 1.22 2.04 -1.14 -2.10 117.51 118.25 3ihy h ILE 863 Ca 0.15 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 3ihy h ILE 863 Cb 0.16 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3ihy h ILE 863 CO -0.20 0.33 0.32 0.44 0.00 0.00 0.00 178.15 179.04 3ihy h ASP 864 N 0.87 0.92 -0.71 1.72 3.32 -0.57 -2.33 116.42 119.63 3ihy h ASP 864 Ca 0.18 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ihy h ASP 864 Cb 0.35 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3ihy h ASP 864 CO 0.00 0.80 0.43 -0.33 -1.72 0.00 0.00 179.24 178.43 3ihy h GLU 865 N 0.97 0.96 0.17 3.56 5.08 -0.33 -1.71 114.58 123.27 3ihy h GLU 865 Ca 0.24 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 58.19 3ihy h GLU 865 Cb 0.14 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.20 3ihy h GLU 865 CO -0.03 0.67 -1.63 0.77 -1.00 0.00 0.00 179.01 177.80 3ihy h SER 866 N 0.96 0.56 0.69 1.42 0.02 -1.43 -2.07 113.55 113.70 3ihy h SER 866 Ca 0.25 -0.92 -0.03 0.00 -0.84 0.00 0.00 61.79 60.26 3ihy h SER 866 Cb -0.04 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 3ihy h SER 866 CO -0.05 1.73 -0.14 0.58 -1.14 0.00 0.00 176.83 177.82 3ihy h VAL 867 N -0.01 0.44 0.27 2.27 2.07 -1.48 -1.51 116.25 118.29 3ihy h VAL 867 Ca -0.33 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3ihy h VAL 867 Cb 2.00 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3ihy h VAL 867 CO 0.15 0.14 -0.13 -0.74 0.02 0.00 0.00 177.57 177.01 3ihy h HIS 868 N 0.00 -0.33 -0.61 1.57 6.17 -1.32 -2.17 115.15 118.46 3ihy h HIS 868 Ca -0.00 -0.01 0.18 0.00 0.71 0.00 0.00 60.37 61.25 3ihy h HIS 868 Cb 0.52 0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.54 3ihy h HIS 868 CO 0.00 -0.21 0.60 0.00 0.71 0.00 0.00 177.93 179.04 3ihy h ALA 869 N -1.18 2.40 0.01 5.26 0.00 -1.26 0.45 119.26 124.93 3ihy h ALA 869 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ihy h ALA 869 Cb 0.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ihy h ALA 869 CO 0.06 -0.92 -0.10 -0.07 0.00 0.00 0.00 179.25 178.23 3ihy h LEU 870 N 0.00 0.07 -1.55 0.00 3.38 -1.38 -3.51 115.31 112.33 3ihy h LEU 870 Ca 0.29 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3ihy h LEU 870 Cb 1.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3ihy h LEU 870 CO -0.00 0.92 0.00 0.49 0.09 0.00 0.00 178.44 179.94