#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihy s SER 282 N 0.00 1.71 0.23 6.12 0.15 -1.26 -5.06 113.70 115.60 3ihy s SER 282 Ca 0.00 -0.75 0.17 0.00 0.70 0.00 0.00 55.95 56.07 3ihy s SER 282 Cb 0.00 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 3ihy s SER 282 CO 0.00 -0.16 1.26 0.44 1.20 0.00 0.00 173.24 175.97 3ihy h ASP 283 N 3.76 0.00 -0.52 5.45 5.19 -2.01 -3.37 116.42 124.93 3ihy h ASP 283 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 3ihy h ASP 283 Cb 1.19 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 3ihy h ASP 283 CO 0.48 0.41 0.34 0.45 -3.12 0.00 0.00 179.24 177.80 3ihy h HIS 284 N 0.00 0.66 -0.41 4.55 3.86 -1.98 -2.86 115.15 118.97 3ihy h HIS 284 Ca -0.05 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3ihy h HIS 284 Cb 1.35 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.60 3ihy h HIS 284 CO 0.00 0.42 0.00 -0.25 0.86 0.00 0.00 177.93 178.96 3ihy n ASP 285 N -4.45 3.43 -4.60 2.45 9.92 -1.26 -4.73 116.55 117.31 3ihy n ASP 285 Ca 0.05 -2.23 -0.40 0.00 -0.53 0.00 0.00 54.79 51.68 3ihy n ASP 285 Cb 0.05 -0.36 0.02 0.00 -0.64 0.00 0.00 41.12 40.20 3ihy n ASP 285 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3ihy n LEU 286 N 0.54 2.70 -3.66 0.64 4.32 -1.08 -5.01 117.00 115.44 3ihy n LEU 286 Ca 0.16 0.96 -0.24 0.00 -0.02 0.00 0.00 56.01 56.87 3ihy n LEU 286 Cb 0.58 -1.35 -0.17 0.00 -1.62 0.00 0.00 43.42 40.86 3ihy n LEU 286 CO 0.12 -1.70 -0.34 -0.54 -1.22 0.00 0.00 177.39 173.71 3ihy s LYS 287 N -2.18 0.14 0.51 3.23 1.02 -1.26 -4.63 119.74 116.57 3ihy s LYS 287 Ca 0.66 0.05 -0.21 0.00 0.02 0.00 0.00 55.97 56.50 3ihy s LYS 287 Cb -0.51 -1.33 -0.07 0.00 -0.52 0.00 0.00 37.83 35.40 3ihy s LYS 287 CO 0.54 -0.51 1.12 -1.25 -0.92 0.00 0.00 175.35 174.33 3ihy s PRO 288 N 2.10 3.57 1.07 -1.68 0.04 -1.26 -5.03 135.00 133.80 3ihy s PRO 288 Ca 0.03 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 3ihy s PRO 288 Cb -0.14 -2.14 0.23 0.00 0.04 0.00 0.00 34.50 32.48 3ihy s PRO 288 CO -0.06 -0.67 1.15 0.54 0.04 0.00 0.00 177.00 177.99 3ihy s ASN 289 N -1.70 2.10 0.42 6.66 2.20 -1.26 -4.72 114.94 118.64 3ihy s ASN 289 Ca 0.69 0.74 0.08 0.00 -0.94 0.00 0.00 52.86 53.43 3ihy s ASN 289 Cb -0.24 -1.10 0.88 0.00 -2.00 0.00 0.00 41.25 38.79 3ihy s ASN 289 CO 0.28 -3.41 2.06 0.00 -2.94 0.00 0.00 177.10 173.09 3ihy h ALA 290 N -2.09 1.72 -0.12 3.54 0.00 -1.97 0.13 119.26 120.47 3ihy h ALA 290 Ca -0.48 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 3ihy h ALA 290 Cb 1.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ihy h ALA 290 CO 0.45 0.26 -0.41 0.00 0.00 0.00 0.00 179.25 179.55 3ihy h ALA 291 N 1.76 0.21 0.00 0.00 0.00 -2.00 -1.90 119.26 117.33 3ihy h ALA 291 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ihy h ALA 291 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ihy h ALA 291 CO -0.03 0.32 0.00 1.79 0.00 0.00 0.00 179.25 181.33 3ihy h THR 292 N 0.08 0.00 -0.00 0.00 1.35 -1.88 -2.50 112.91 109.96 3ihy h THR 292 Ca -0.02 -0.69 -0.16 0.00 -0.55 0.00 0.00 66.41 65.00 3ihy h THR 292 Cb 1.04 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 3ihy h THR 292 CO 0.09 0.00 -0.73 -0.09 -0.25 0.00 0.00 175.52 174.54 3ihy h ARG 293 N 0.00 0.04 0.00 4.72 2.43 -0.56 -1.59 114.38 119.42 3ihy h ARG 293 Ca 0.00 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 3ihy h ARG 293 Cb 0.81 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3ihy h ARG 293 CO 0.00 0.75 -1.01 -0.44 -1.51 0.00 0.00 179.97 177.75 3ihy h ASP 294 N 0.02 0.00 -0.28 -3.80 5.19 -1.23 -2.05 116.42 114.28 3ihy h ASP 294 Ca -0.01 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.28 3ihy h ASP 294 Cb 1.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 3ihy h ASP 294 CO 0.10 0.66 -0.24 -0.61 -3.12 0.00 0.00 179.24 176.02 3ihy h GLN 295 N 0.00 0.76 -0.09 3.56 4.15 -1.41 -2.66 115.11 119.42 3ihy h GLN 295 Ca -0.09 -0.32 -0.20 0.00 0.77 0.00 0.00 58.65 58.82 3ihy h GLN 295 Cb 1.58 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.23 3ihy h GLN 295 CO 0.07 0.93 -0.76 -0.07 -1.93 0.00 0.00 178.83 177.07 3ihy h LEU 296 N 0.66 0.60 -1.58 -2.39 3.38 -1.28 -3.04 115.31 111.66 3ihy h LEU 296 Ca 0.09 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3ihy h LEU 296 Cb 0.76 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ihy h LEU 296 CO 0.06 1.16 -0.06 0.78 0.09 0.00 0.00 178.44 180.47 3ihy h ASN 297 N 0.34 0.00 0.06 -0.43 2.35 -1.25 -1.24 115.58 115.42 3ihy h ASN 297 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ihy h ASN 297 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 3ihy h ASN 297 CO 0.14 0.06 -0.03 0.40 -1.65 0.00 0.00 177.43 176.35 3ihy h ILE 298 N 0.00 1.11 -0.91 2.81 1.08 -1.47 -3.24 117.51 116.88 3ihy h ILE 298 Ca -0.00 -1.56 0.13 0.00 -0.39 0.00 0.00 64.86 63.04 3ihy h ILE 298 Cb 0.50 1.98 -0.09 0.00 -3.07 0.00 0.00 36.82 36.14 3ihy h ILE 298 CO 0.01 0.33 0.52 0.40 -0.69 0.00 0.00 178.15 178.73 3ihy h ILE 299 N -0.90 0.82 -0.45 -0.67 2.04 -1.44 -1.63 117.51 115.27 3ihy h ILE 299 Ca -0.01 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3ihy h ILE 299 Cb 0.61 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3ihy h ILE 299 CO 0.01 0.14 0.04 0.58 0.00 0.00 0.00 178.15 178.93 3ihy h VAL 300 N 0.79 1.22 -0.59 1.67 2.07 -1.33 -3.00 116.25 117.08 3ihy h VAL 300 Ca 0.47 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3ihy h VAL 300 Cb 0.58 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3ihy h VAL 300 CO -0.31 0.31 0.03 -1.54 0.02 0.00 0.00 177.57 176.08 3ihy n SER 301 N -4.26 5.58 -4.78 0.57 3.41 -0.64 -4.84 113.62 108.67 3ihy n SER 301 Ca 0.03 -2.95 -0.37 0.00 -0.26 0.00 0.00 58.87 55.32 3ihy n SER 301 Cb 0.26 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 3ihy n SER 301 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3ihy s TYR 302 N -2.76 3.11 0.88 7.33 2.02 -1.03 -5.03 117.35 121.87 3ihy s TYR 302 Ca 0.54 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.69 3ihy s TYR 302 Cb 0.41 -3.26 0.01 0.00 -0.40 0.00 0.00 41.96 38.72 3ihy s TYR 302 CO 0.15 -1.04 0.43 -0.35 -1.57 0.00 0.00 175.55 173.18 3ihy n PRO 303 N -0.17 -0.09 0.30 -1.71 -0.04 -1.26 -4.86 135.00 127.16 3ihy n PRO 303 Ca 0.06 0.02 0.19 0.00 -0.04 0.00 0.00 63.50 63.72 3ihy n PRO 303 Cb 0.48 -1.84 0.85 0.00 -0.04 0.00 0.00 33.50 32.96 3ihy n PRO 303 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3ihy h PRO 304 N -1.18 0.00 -0.19 0.54 0.13 -1.95 -2.64 132.00 126.71 3ihy h PRO 304 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ihy h PRO 304 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3ihy h PRO 304 CO 0.37 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.39 3ihy n THR 305 N -3.09 0.25 -3.47 1.56 -2.24 -1.26 -4.83 114.28 101.20 3ihy n THR 305 Ca -0.01 -0.32 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 3ihy n THR 305 Cb 0.23 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 3ihy n THR 305 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ihy s LYS 306 N -1.75 3.53 0.27 -0.78 2.20 -1.00 -5.06 119.74 117.15 3ihy s LYS 306 Ca 0.27 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 3ihy s LYS 306 Cb 0.14 -3.81 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 3ihy s LYS 306 CO 0.21 -0.48 1.24 -0.65 -0.36 0.00 0.00 175.35 175.31 3ihy s GLN 307 N 1.86 4.46 0.29 4.03 -1.52 -1.26 -4.98 119.66 122.54 3ihy s GLN 307 Ca 0.09 2.03 -0.19 0.00 -1.95 0.00 0.00 55.36 55.34 3ihy s GLN 307 Cb -0.17 -3.15 -0.09 0.00 -0.22 0.00 0.00 33.01 29.38 3ihy s GLN 307 CO 0.11 -0.08 0.77 -0.51 -0.25 0.00 0.00 175.29 175.33 3ihy s LEU 308 N -1.19 4.20 0.69 2.90 1.02 -1.26 -5.07 118.68 119.98 3ihy s LEU 308 Ca 0.50 1.43 -0.13 0.00 0.02 0.00 0.00 54.13 55.94 3ihy s LEU 308 Cb -0.36 -3.90 0.02 0.00 0.02 0.00 0.00 46.19 41.97 3ihy s LEU 308 CO 0.45 -0.10 1.09 0.42 0.02 0.00 0.00 176.35 178.23 3ihy s THR 309 N -1.76 3.42 0.30 5.49 -4.23 -1.26 -4.81 115.64 112.79 3ihy s THR 309 Ca 0.50 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 61.62 3ihy s THR 309 Cb -0.14 -3.10 0.30 0.00 1.34 0.00 0.00 72.50 70.90 3ihy s THR 309 CO 0.19 -0.50 1.69 1.88 -0.54 0.00 0.00 174.62 177.34 3ihy h TYR 310 N -0.40 0.65 -0.65 3.99 0.05 -2.01 0.66 116.97 119.27 3ihy h TYR 310 Ca -0.45 0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.32 3ihy h TYR 310 Cb 1.23 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.80 3ihy h TYR 310 CO 0.57 -0.07 0.22 1.49 -1.05 0.00 0.00 178.16 179.32 3ihy h GLU 311 N 0.38 0.97 -0.44 4.88 4.22 -2.00 -2.99 114.58 119.60 3ihy h GLU 311 Ca 0.58 -0.18 -0.10 0.00 0.08 0.00 0.00 59.36 59.73 3ihy h GLU 311 Cb 1.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3ihy h GLU 311 CO -0.55 0.82 -0.13 0.93 -2.18 0.00 0.00 179.01 177.89 3ihy h GLU 312 N 0.94 0.87 -0.85 1.92 5.08 -1.24 -2.80 114.58 118.50 3ihy h GLU 312 Ca 0.21 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3ihy h GLU 312 Cb 0.24 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 3ihy h GLU 312 CO -0.01 0.98 0.53 1.96 -1.00 0.00 0.00 179.01 181.47 3ihy h GLN 313 N 0.70 0.96 -0.42 2.33 4.20 -1.30 -2.00 115.11 119.57 3ihy h GLN 313 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3ihy h GLN 313 Cb 0.68 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3ihy h GLN 313 CO 0.05 0.63 0.21 0.22 -0.67 0.00 0.00 178.83 179.27 3ihy h ASP 314 N 0.99 0.52 0.06 1.46 3.58 -1.38 0.47 116.42 122.12 3ihy h ASP 314 Ca 0.36 -0.04 -0.24 0.00 0.42 0.00 0.00 57.03 57.54 3ihy h ASP 314 Cb 0.13 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.07 3ihy h ASP 314 CO -0.16 0.44 -0.98 0.25 -2.88 0.00 0.00 179.24 175.92 3ihy h LEU 315 N 0.59 0.75 0.01 2.28 5.85 -1.18 0.47 115.31 124.08 3ihy h LEU 315 Ca 0.15 -0.80 -0.00 0.00 0.84 0.00 0.00 57.88 58.07 3ihy h LEU 315 Cb 0.05 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3ihy h LEU 315 CO -0.02 1.47 -0.00 0.58 -0.34 0.00 0.00 178.44 180.12 3ihy h VAL 316 N 0.12 1.10 0.02 1.05 2.07 -1.02 -0.92 116.25 118.67 3ihy h VAL 316 Ca -0.14 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3ihy h VAL 316 Cb 1.67 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3ihy h VAL 316 CO 0.19 0.08 -0.01 -0.25 0.02 0.00 0.00 177.57 177.60 3ihy h TRP 317 N -0.15 -0.03 -0.47 1.57 2.91 -0.14 -1.05 115.95 118.59 3ihy h TRP 317 Ca -0.00 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.11 3ihy h TRP 317 Cb 0.14 0.01 -0.09 0.00 -0.51 0.00 0.00 29.16 28.71 3ihy h TRP 317 CO -0.03 -0.00 -0.16 -0.22 -1.03 0.00 0.00 178.44 177.00 3ihy h LYS 318 N -0.05 -0.05 -0.79 2.65 3.64 -0.76 -2.65 116.57 118.56 3ihy h LYS 318 Ca -0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 3ihy h LYS 318 Cb 0.04 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 31.74 3ihy h LYS 318 CO 0.01 -0.04 0.29 1.19 -2.27 0.00 0.00 179.45 178.63 3ihy n PHE 319 N -5.37 2.41 -0.28 1.91 3.72 -0.36 -4.70 117.46 114.78 3ihy n PHE 319 Ca 0.04 -1.20 0.09 0.00 -0.05 0.00 0.00 57.45 56.33 3ihy n PHE 319 Cb 0.28 -0.69 0.22 0.00 -0.94 0.00 0.00 39.48 38.35 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 2.44 0.14 -0.32 -1.08 0.11 -0.81 -0.95 114.38 113.91 3ihy h ARG 320 Ca 0.28 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 60.24 3ihy h ARG 320 Cb 2.31 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 33.35 3ihy h ARG 320 CO 0.74 0.09 -0.26 1.88 0.10 0.00 0.00 179.97 182.52 3ihy h TYR 321 N 0.14 0.74 0.00 4.08 0.05 -1.85 -2.29 116.97 117.85 3ihy h TYR 321 Ca 0.48 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 59.05 3ihy h TYR 321 Cb 0.92 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 3ihy h TYR 321 CO -0.36 0.85 -0.17 -0.92 -1.05 0.00 0.00 178.16 176.50 3ihy h TYR 322 N 0.56 0.00 -0.01 4.88 3.20 -1.47 -2.92 116.97 121.22 3ihy h TYR 322 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3ihy h TYR 322 Cb 0.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3ihy h TYR 322 CO 0.03 0.17 -0.09 1.28 -1.64 0.00 0.00 178.16 177.92 3ihy n LEU 323 N -4.31 0.88 0.23 2.82 4.77 -0.72 -4.00 117.00 116.67 3ihy n LEU 323 Ca -0.02 -0.22 0.16 0.00 -0.03 0.00 0.00 56.01 55.89 3ihy n LEU 323 Cb 0.24 -0.08 0.65 0.00 -2.33 0.00 0.00 43.42 41.90 3ihy n LEU 323 CO 0.36 0.15 0.96 0.71 -1.33 0.00 0.00 177.39 178.24 3ihy h THR 324 N 1.23 0.00 0.00 -5.08 1.35 -1.34 -2.42 112.91 106.66 3ihy h THR 324 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3ihy h THR 324 Cb 0.39 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3ihy h THR 324 CO 0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 3ihy n ASN 325 N -2.80 0.75 -4.23 5.36 4.13 -1.26 -1.67 115.26 115.55 3ihy n ASN 325 Ca 0.01 0.58 -0.41 0.00 1.68 0.00 0.00 54.58 56.44 3ihy n ASN 325 Cb 0.26 -0.78 -0.08 0.00 -1.54 0.00 0.00 39.78 37.64 3ihy n ASN 325 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3ihy s GLN 326 N -3.12 2.53 0.39 3.52 -0.21 -0.91 -4.93 119.66 116.93 3ihy s GLN 326 Ca 0.10 -1.71 0.12 0.00 0.02 0.00 0.00 55.36 53.89 3ihy s GLN 326 Cb 0.12 -3.93 0.93 0.00 1.00 0.00 0.00 33.01 31.13 3ihy s GLN 326 CO 0.57 -1.17 1.89 1.05 -2.12 0.00 0.00 175.29 175.51 3ihy h GLU 327 N 8.48 0.54 0.00 2.91 9.09 -1.81 -0.40 114.58 133.39 3ihy h GLU 327 Ca -0.22 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 59.12 3ihy h GLU 327 Cb 1.08 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.05 3ihy h GLU 327 CO 0.86 0.36 -0.18 0.87 0.05 0.00 0.00 179.01 180.97 3ihy h LYS 328 N 0.56 0.00 0.00 1.06 1.79 -1.93 -3.04 116.57 115.02 3ihy h LYS 328 Ca 0.42 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.86 3ihy h LYS 328 Cb 0.81 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.46 3ihy h LYS 328 CO -0.17 0.18 -0.15 0.00 -1.08 0.00 0.00 179.45 178.23 3ihy h ALA 329 N 1.82 1.06 -0.84 3.86 0.00 -1.34 -3.32 119.26 120.49 3ihy h ALA 329 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ihy h ALA 329 Cb 0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3ihy h ALA 329 CO 0.02 0.19 0.42 1.25 0.00 0.00 0.00 179.25 181.13 3ihy h LEU 330 N 0.00 1.09 -0.89 0.00 5.85 -1.57 -2.33 115.31 117.46 3ihy h LEU 330 Ca -0.00 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 3ihy h LEU 330 Cb 0.60 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3ihy h LEU 330 CO 0.02 0.91 0.06 0.00 -0.34 0.00 0.00 178.44 179.10 3ihy h THR 331 N 1.20 1.24 -0.01 1.05 1.03 -1.79 -2.00 112.91 113.63 3ihy h THR 331 Ca 0.29 -0.96 -0.08 0.00 -0.01 0.00 0.00 66.41 65.65 3ihy h THR 331 Cb 0.10 0.76 -0.01 0.00 -1.07 0.00 0.00 68.15 67.93 3ihy h THR 331 CO -0.04 0.35 -0.38 0.11 -0.01 0.00 0.00 175.52 175.55 3ihy h LYS 332 N 0.83 0.02 -0.11 0.00 1.79 -1.64 -3.13 116.57 114.33 3ihy h LYS 332 Ca 0.17 -0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.39 3ihy h LYS 332 Cb 0.41 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3ihy h LYS 332 CO 0.01 0.40 -0.85 0.35 -1.08 0.00 0.00 179.45 178.29 3ihy h PHE 333 N 0.02 1.06 0.00 -1.35 3.57 -0.88 -2.93 116.94 116.44 3ihy h PHE 333 Ca -0.00 -0.50 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 3ihy h PHE 333 Cb 0.69 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3ihy h PHE 333 CO 0.00 1.33 -0.11 -0.07 -2.23 0.00 0.00 178.31 177.23 3ihy h LEU 334 N 0.50 0.00 -0.32 0.59 3.38 -1.38 -0.85 115.31 117.24 3ihy h LEU 334 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ihy h LEU 334 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3ihy h LEU 334 CO 0.17 0.11 0.00 0.29 0.09 0.00 0.00 178.44 179.10 3ihy n LYS 335 N -3.69 0.24 0.10 1.13 5.02 -1.11 -3.44 118.16 116.41 3ihy n LYS 335 Ca -0.02 0.31 0.03 0.00 -2.02 0.00 0.00 58.31 56.61 3ihy n LYS 335 Cb 0.23 -1.84 -0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3ihy n LYS 335 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ihy s VAL 337 N -3.02 4.25 -0.52 0.00 1.01 -1.20 -5.00 120.40 115.92 3ihy s VAL 337 Ca 0.01 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.67 3ihy s VAL 337 Cb 0.08 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.41 3ihy s VAL 337 CO 0.77 0.26 0.46 0.54 0.00 0.00 0.00 175.10 177.13 3ihy s ASN 338 N 0.18 6.11 0.09 3.32 4.22 -1.26 -4.96 114.94 122.64 3ihy s ASN 338 Ca 0.50 -1.75 0.14 0.00 -2.14 0.00 0.00 52.86 49.61 3ihy s ASN 338 Cb -0.26 -2.18 0.62 0.00 1.28 0.00 0.00 41.25 40.71 3ihy s ASN 338 CO 0.31 -0.81 1.43 0.79 -2.04 0.00 0.00 177.10 176.79 3ihy n TRP 339 N 5.19 0.26 -0.11 1.54 7.02 -1.26 -1.84 117.44 128.24 3ihy n TRP 339 Ca -0.13 0.11 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 3ihy n TRP 339 Cb 0.41 -0.68 -0.03 0.00 -2.42 0.00 0.00 31.31 28.58 3ihy n TRP 339 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3ihy h ASP 340 N 0.00 0.94 -3.04 -0.99 3.32 -2.04 -3.43 116.42 111.17 3ihy h ASP 340 Ca 0.00 -0.47 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 3ihy h ASP 340 Cb 0.19 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.49 3ihy h ASP 340 CO 0.00 1.22 0.69 -0.22 -1.72 0.00 0.00 179.24 179.20 3ihy s LEU 341 N -8.90 4.37 0.23 1.55 0.20 -0.77 -4.95 118.68 110.41 3ihy s LEU 341 Ca -0.11 2.25 0.20 0.00 0.69 0.00 0.00 54.13 57.16 3ihy s LEU 341 Cb 0.10 -3.58 0.05 0.00 -0.43 0.00 0.00 46.19 42.32 3ihy s LEU 341 CO 0.87 -0.61 1.17 1.55 -0.29 0.00 0.00 176.35 179.04 3ihy h PRO 342 N 6.81 0.00 0.09 0.98 0.13 -1.86 -3.30 132.00 134.85 3ihy h PRO 342 Ca -0.42 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.55 3ihy h PRO 342 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 3ihy h PRO 342 CO 0.85 0.15 -0.77 1.96 -0.23 0.00 0.00 178.00 179.96 3ihy h GLN 343 N 0.00 0.19 0.00 0.86 1.08 -1.94 -1.62 115.11 113.67 3ihy h GLN 343 Ca -0.04 -0.32 -0.14 0.00 -1.45 0.00 0.00 58.65 56.70 3ihy h GLN 343 Cb 1.20 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 3ihy h GLN 343 CO 0.02 1.15 -0.99 1.05 -0.95 0.00 0.00 178.83 179.11 3ihy h GLU 344 N -0.57 0.00 -0.41 1.46 4.11 -1.94 -2.19 114.58 115.04 3ihy h GLU 344 Ca -0.16 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.31 3ihy h GLU 344 Cb 1.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.69 3ihy h GLU 344 CO 0.06 0.42 0.20 0.00 0.07 0.00 0.00 179.01 179.77 3ihy h ALA 345 N 1.43 0.51 -0.47 1.06 0.00 -1.66 2.19 119.26 122.32 3ihy h ALA 345 Ca -0.08 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ihy h ALA 345 Cb 1.51 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 3ihy h ALA 345 CO 0.06 -0.15 0.19 -0.22 0.00 0.00 0.00 179.25 179.12 3ihy h LYS 346 N 0.41 0.36 0.00 0.00 3.64 -1.29 0.41 116.57 120.10 3ihy h LYS 346 Ca 0.18 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3ihy h LYS 346 Cb 0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ihy h LYS 346 CO -0.13 0.24 -0.29 0.37 -2.27 0.00 0.00 179.45 177.37 3ihy h GLN 347 N 0.37 0.00 0.50 1.90 4.15 -0.56 -2.07 115.11 119.40 3ihy h GLN 347 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 3ihy h GLN 347 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3ihy h GLN 347 CO -0.21 0.29 -0.24 0.00 -1.93 0.00 0.00 178.83 176.75 3ihy h ALA 348 N 1.71 -0.67 0.00 3.38 0.00 0.42 -0.99 119.26 123.12 3ihy h ALA 348 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ihy h ALA 348 Cb 0.76 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ihy h ALA 348 CO 0.04 -0.77 -0.07 -0.07 0.00 0.00 0.00 179.25 178.39 3ihy h LEU 349 N -0.88 0.00 0.86 0.00 3.38 -0.87 0.72 115.31 118.51 3ihy h LEU 349 Ca -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3ihy h LEU 349 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ihy h LEU 349 CO 0.11 0.07 -0.41 -0.08 0.09 0.00 0.00 178.44 178.22 3ihy h GLU 350 N 0.00 -1.11 -0.88 1.13 4.81 -1.30 -3.10 114.58 114.13 3ihy h GLU 350 Ca -0.00 0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.42 3ihy h GLU 350 Cb 0.15 0.25 -0.08 0.00 0.63 0.00 0.00 28.75 29.70 3ihy h GLU 350 CO 0.01 -0.74 0.51 -0.07 -0.73 0.00 0.00 179.01 177.99 3ihy h LEU 351 N -1.27 0.70 -0.65 1.64 -0.00 -0.30 -2.10 115.31 113.33 3ihy h LEU 351 Ca -0.12 0.06 0.13 0.00 -0.00 0.00 0.00 57.88 57.95 3ihy h LEU 351 Cb 0.88 -0.07 -0.12 0.00 -0.00 0.00 0.00 40.66 41.35 3ihy h LEU 351 CO 0.19 0.37 -0.21 0.25 -0.00 0.00 0.00 178.44 179.04 3ihy h LEU 352 N 0.80 -0.75 -1.36 1.67 5.85 -0.94 0.66 115.31 121.23 3ihy h LEU 352 Ca 0.44 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 59.36 3ihy h LEU 352 Cb 0.48 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3ihy h LEU 352 CO -0.28 -0.24 0.31 1.23 -0.34 0.00 0.00 178.44 179.11 3ihy h GLY 353 N -0.04 0.79 2.00 3.75 0.00 -1.32 -2.45 103.07 105.80 3ihy h GLY 353 Ca 0.30 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3ihy h GLY 353 CO -0.69 0.32 -0.12 0.50 0.00 0.00 0.00 176.54 176.55 3ihy h LYS 354 N 0.75 0.00 -6.99 4.80 1.79 -0.18 -3.47 116.57 113.27 3ihy h LYS 354 Ca 0.20 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.18 3ihy h LYS 354 Cb 0.00 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.69 3ihy h LYS 354 CO -0.03 0.12 0.43 -0.46 -1.08 0.00 0.00 179.45 178.43 3ihy s TRP 355 N -3.25 3.08 0.15 -1.35 -0.11 0.20 -4.94 118.94 112.72 3ihy s TRP 355 Ca 0.05 1.60 -0.32 0.00 1.22 0.00 0.00 56.10 58.64 3ihy s TRP 355 Cb 0.06 -3.21 -0.12 0.00 -1.50 0.00 0.00 33.47 28.70 3ihy s TRP 355 CO 0.67 -0.98 1.74 1.17 -4.62 0.00 0.00 176.95 174.92 3ihy n LYS 356 N -0.35 2.59 -2.24 5.86 4.81 -0.67 -4.86 118.16 123.30 3ihy n LYS 356 Ca 0.06 0.94 -0.38 0.00 -0.87 0.00 0.00 58.31 58.06 3ihy n LYS 356 Cb 0.49 -2.78 -0.01 0.00 0.02 0.00 0.00 35.03 32.75 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 1.79 3.90 0.56 1.64 0.02 -1.26 -4.42 135.00 137.24 3ihy s PRO 357 Ca 0.79 1.86 -0.15 0.00 0.02 0.00 0.00 61.00 63.52 3ihy s PRO 357 Cb -0.55 -2.57 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 3ihy s PRO 357 CO 0.36 -0.45 1.01 0.00 -0.33 0.00 0.00 177.00 177.59 3ihy s MET 358 N -2.46 3.70 0.72 5.54 0.23 -1.26 -4.82 119.30 120.95 3ihy s MET 358 Ca 0.60 0.95 -0.15 0.00 -1.03 0.00 0.00 55.69 56.06 3ihy s MET 358 Cb -0.31 -2.10 0.03 0.00 -1.53 0.00 0.00 34.83 30.93 3ihy s MET 358 CO 0.38 -0.48 1.21 -0.51 -2.03 0.00 0.00 175.02 173.60 3ihy s ASP 359 N -3.32 4.25 0.20 -1.18 1.01 -1.26 -4.91 116.67 111.46 3ihy s ASP 359 Ca 0.59 2.37 -0.14 0.00 0.71 0.00 0.00 52.55 56.08 3ihy s ASP 359 Cb -0.11 -2.59 0.22 0.00 1.01 0.00 0.00 42.92 41.44 3ihy s ASP 359 CO 0.39 -2.22 1.65 0.58 0.21 0.00 0.00 175.17 175.77 3ihy h VAL 360 N -0.21 0.46 0.00 -1.27 2.07 -1.96 -2.73 116.25 112.62 3ihy h VAL 360 Ca -0.48 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3ihy h VAL 360 Cb 1.30 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3ihy h VAL 360 CO 0.50 0.01 -0.04 1.05 0.02 0.00 0.00 177.57 179.10 3ihy h GLU 361 N 0.03 0.00 0.00 1.57 9.09 -1.96 -0.47 114.58 122.84 3ihy h GLU 361 Ca 0.28 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.58 3ihy h GLU 361 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.52 3ihy h GLU 361 CO -0.56 0.04 -0.50 -0.44 0.05 0.00 0.00 179.01 177.60 3ihy h ASP 362 N 0.00 0.00 0.54 3.06 5.19 -1.86 -3.29 116.42 120.06 3ihy h ASP 362 Ca -0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 3ihy h ASP 362 Cb 0.54 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 3ihy h ASP 362 CO 0.01 0.50 -0.23 0.77 -3.12 0.00 0.00 179.24 177.17 3ihy h SER 363 N 0.00 0.00 -0.04 6.45 4.64 -0.95 -1.76 113.55 121.89 3ihy h SER 363 Ca -0.01 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3ihy h SER 363 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3ihy h SER 363 CO 0.07 0.23 0.05 -0.07 -0.87 0.00 0.00 176.83 176.23 3ihy h LEU 364 N 0.00 0.00 -0.43 5.97 3.38 -1.62 -1.97 115.31 120.64 3ihy h LEU 364 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3ihy h LEU 364 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3ihy h LEU 364 CO 0.03 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.48 3ihy h GLU 365 N 0.00 0.76 0.00 1.13 4.81 -1.50 -3.17 114.58 116.60 3ihy h GLU 365 Ca 0.02 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3ihy h GLU 365 Cb 0.11 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3ihy h GLU 365 CO -0.00 0.83 0.00 1.28 -0.73 0.00 0.00 179.01 180.39 3ihy n LEU 366 N -4.41 0.32 -0.54 1.64 4.77 -0.75 -2.77 117.00 115.26 3ihy n LEU 366 Ca -0.00 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.69 3ihy n LEU 366 Cb 0.29 -0.52 0.45 0.00 -2.33 0.00 0.00 43.42 41.31 3ihy n LEU 366 CO 0.41 -0.37 0.82 0.18 -1.33 0.00 0.00 177.39 177.10 3ihy n LEU 367 N -1.84 1.69 -4.90 2.23 4.77 -1.19 -4.63 117.00 113.14 3ihy n LEU 367 Ca 0.03 -0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 55.15 3ihy n LEU 367 Cb 0.21 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.47 3ihy n LEU 367 CO 0.17 0.28 0.84 -0.94 -1.33 0.00 0.00 177.39 176.42 3ihy s SER 368 N -2.03 3.24 0.43 -1.43 1.04 -1.12 -4.84 113.70 109.00 3ihy s SER 368 Ca 0.36 0.42 0.18 0.00 0.48 0.00 0.00 55.95 57.39 3ihy s SER 368 Cb 0.21 -0.58 0.99 0.00 0.10 0.00 0.00 66.02 66.74 3ihy s SER 368 CO 0.34 -2.67 1.49 0.77 0.98 0.00 0.00 173.24 174.16 3ihy h SER 369 N -1.59 0.00 -0.16 7.02 4.64 -1.91 -2.88 113.55 118.67 3ihy h SER 369 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ihy h SER 369 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ihy h SER 369 CO 0.44 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.81 3ihy n HIS 370 N -2.32 0.21 -3.82 4.77 8.25 -1.26 -4.76 115.22 116.28 3ihy n HIS 370 Ca -0.01 -0.10 -0.13 0.00 -0.26 0.00 0.00 57.72 57.22 3ihy n HIS 370 Cb 0.34 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.79 -0.06 0.00 4.41 2.02 -1.09 -5.04 117.35 115.80 3ihy s TYR 371 Ca 0.27 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.16 3ihy s TYR 371 Cb 0.14 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.66 3ihy s TYR 371 CO 0.21 -0.06 0.00 0.25 -1.57 0.00 0.00 175.55 174.38 3ihy n THR 372 N 3.39 0.00 -1.66 -0.71 -2.24 -1.26 -4.85 114.28 106.95 3ihy n THR 372 Ca -0.17 0.00 -0.62 0.00 -2.27 0.00 0.00 64.05 61.00 3ihy n THR 372 Cb 0.57 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 3ihy n THR 372 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ihy n ASN 373 N -0.66 1.70 -0.33 3.42 2.85 -1.26 -4.85 115.26 116.13 3ihy n ASN 373 Ca 0.00 1.04 0.06 0.00 -0.11 0.00 0.00 54.58 55.57 3ihy n ASN 373 Cb 0.06 -1.01 0.22 0.00 1.24 0.00 0.00 39.78 40.29 3ihy n ASN 373 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ihy h PRO 374 N 6.84 0.85 -0.45 1.20 0.11 -1.99 -2.42 132.00 136.14 3ihy h PRO 374 Ca -0.40 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3ihy h PRO 374 Cb 1.35 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3ihy h PRO 374 CO 0.99 0.56 -0.00 1.15 -0.21 0.00 0.00 178.00 180.49 3ihy h THR 375 N 0.87 1.26 0.23 -1.15 2.02 -1.99 -1.33 112.91 112.83 3ihy h THR 375 Ca 0.47 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3ihy h THR 375 Cb 0.50 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3ihy h THR 375 CO -0.28 0.36 -0.23 0.58 0.37 0.00 0.00 175.52 176.32 3ihy h VAL 376 N 0.64 0.51 -0.34 3.16 2.07 -1.90 -0.20 116.25 120.19 3ihy h VAL 376 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 3ihy h VAL 376 Cb 0.50 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ihy h VAL 376 CO 0.02 0.00 0.23 0.03 0.02 0.00 0.00 177.57 177.87 3ihy h ARG 377 N -0.49 0.24 -0.00 1.57 3.08 -1.33 -0.05 114.38 117.39 3ihy h ARG 377 Ca -0.00 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.77 3ihy h ARG 377 Cb 0.46 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.47 3ihy h ARG 377 CO -0.05 0.16 -1.01 -0.09 -1.07 0.00 0.00 179.97 177.91 3ihy h ARG 378 N 0.25 0.69 -0.92 0.04 2.43 -1.00 -2.29 114.38 113.58 3ihy h ARG 378 Ca 0.15 -0.74 0.01 0.00 -0.81 0.00 0.00 59.98 58.58 3ihy h ARG 378 Cb 0.27 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 3ihy h ARG 378 CO -0.03 1.32 0.60 -0.92 -1.51 0.00 0.00 179.97 179.43 3ihy h TYR 379 N 0.36 1.17 0.15 2.20 3.20 0.09 0.25 116.97 124.40 3ihy h TYR 379 Ca -0.13 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.78 3ihy h TYR 379 Cb 1.67 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 3ihy h TYR 379 CO 0.11 0.74 -0.25 0.00 -1.64 0.00 0.00 178.16 177.12 3ihy h ALA 380 N 1.41 -0.45 -0.81 1.82 0.00 -1.00 -0.51 119.26 119.72 3ihy h ALA 380 Ca 0.34 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3ihy h ALA 380 Cb -0.13 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3ihy h ALA 380 CO -0.07 -0.80 0.49 0.28 0.00 0.00 0.00 179.25 179.15 3ihy h VAL 381 N -0.48 1.02 -0.88 0.00 2.07 -0.91 -1.40 116.25 115.67 3ihy h VAL 381 Ca 0.02 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3ihy h VAL 381 Cb 0.48 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3ihy h VAL 381 CO -0.12 0.16 0.57 0.00 0.02 0.00 0.00 177.57 178.21 3ihy h ALA 382 N 1.39 1.49 -0.13 1.67 0.00 0.07 -2.39 119.26 121.36 3ihy h ALA 382 Ca 0.35 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 3ihy h ALA 382 Cb 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ihy h ALA 382 CO -0.18 0.41 -0.79 0.00 0.00 0.00 0.00 179.25 178.69 3ihy h ARG 383 N 1.05 0.75 -0.84 0.00 2.47 -0.11 -3.17 114.38 114.53 3ihy h ARG 383 Ca 0.36 -0.62 0.07 0.00 -1.26 0.00 0.00 59.98 58.53 3ihy h ARG 383 Cb 0.09 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.49 3ihy h ARG 383 CO -0.12 1.23 0.51 -0.07 0.56 0.00 0.00 179.97 182.08 3ihy h LEU 384 N 0.50 0.78 -0.56 3.04 3.38 -1.07 -1.84 115.31 119.55 3ihy h LEU 384 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ihy h LEU 384 Cb 1.42 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ihy h LEU 384 CO 0.16 0.49 0.46 -1.14 0.09 0.00 0.00 178.44 178.50 3ihy n ARG 385 N -4.66 0.06 0.08 1.13 0.63 -0.92 0.48 116.66 113.46 3ihy n ARG 385 Ca 0.12 0.53 0.12 0.00 -0.92 0.00 0.00 57.85 57.71 3ihy n ARG 385 Cb 0.20 -2.16 0.21 0.00 0.45 0.00 0.00 32.46 31.15 3ihy n ARG 385 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3ihy h GLN 386 N 0.00 0.00 -7.01 -0.14 1.08 -1.48 -3.46 115.11 104.10 3ihy h GLN 386 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 3ihy h GLN 386 Cb 0.92 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.40 3ihy h GLN 386 CO 0.00 0.00 0.45 0.00 -0.95 0.00 0.00 178.83 178.33 3ihy s ALA 387 N -3.17 2.94 0.59 3.87 0.00 0.18 -5.04 121.76 121.14 3ihy s ALA 387 Ca 0.07 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 3ihy s ALA 387 Cb 0.13 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3ihy s ALA 387 CO 0.70 -0.54 0.91 0.16 0.00 0.00 0.00 175.76 176.99 3ihy s ASP 388 N -1.53 5.70 0.31 0.00 1.47 -1.26 -4.83 116.67 116.53 3ihy s ASP 388 Ca 0.64 0.81 0.05 0.00 1.18 0.00 0.00 52.55 55.23 3ihy s ASP 388 Cb -0.25 -1.84 0.67 0.00 -0.34 0.00 0.00 42.92 41.17 3ihy s ASP 388 CO 0.30 -1.01 1.83 0.44 0.68 0.00 0.00 175.17 177.42 3ihy h ASP 389 N -0.17 0.82 -0.29 2.11 3.32 -1.98 -1.10 116.42 119.14 3ihy h ASP 389 Ca -0.45 0.06 0.06 0.00 0.02 0.00 0.00 57.03 56.71 3ihy h ASP 389 Cb 1.25 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 3ihy h ASP 389 CO 0.61 0.40 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.35 3ihy h GLU 390 N 0.86 -0.04 -0.03 3.56 4.81 -2.00 -0.52 114.58 121.21 3ihy h GLU 390 Ca 0.50 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.73 3ihy h GLU 390 Cb 0.66 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3ihy h GLU 390 CO -0.27 -0.03 0.00 -0.44 -0.73 0.00 0.00 179.01 177.54 3ihy h ASP 391 N -0.05 0.05 -0.81 1.04 5.19 -1.69 -2.96 116.42 117.20 3ihy h ASP 391 Ca 0.14 -0.27 0.20 0.00 -0.62 0.00 0.00 57.03 56.48 3ihy h ASP 391 Cb 0.26 -0.01 -0.13 0.00 0.18 0.00 0.00 39.33 39.63 3ihy h ASP 391 CO -0.32 0.31 0.17 0.25 -3.12 0.00 0.00 179.24 176.52 3ihy h LEU 392 N -0.21 -0.07 -1.28 1.55 5.85 -1.04 0.24 115.31 120.34 3ihy h LEU 392 Ca 0.01 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3ihy h LEU 392 Cb 0.28 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3ihy h LEU 392 CO 0.00 -0.12 0.51 0.25 -0.34 0.00 0.00 178.44 178.74 3ihy h LEU 393 N 0.21 0.80 -2.37 2.25 5.85 -0.93 -0.99 115.31 120.13 3ihy h LEU 393 Ca 0.48 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 3ihy h LEU 393 Cb 0.90 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3ihy h LEU 393 CO -0.61 0.55 -0.02 0.24 -0.34 0.00 0.00 178.44 178.25 3ihy h MET 394 N 0.93 0.00 -0.12 1.25 2.86 -0.44 -2.58 114.93 116.82 3ihy h MET 394 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3ihy h MET 394 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3ihy h MET 394 CO -0.09 0.02 0.00 0.66 1.06 0.00 0.00 176.91 178.56 3ihy n TYR 395 N -3.79 0.14 -0.20 -0.22 4.01 -0.46 -4.74 117.16 111.91 3ihy n TYR 395 Ca -0.03 -0.13 -0.08 0.00 -0.16 0.00 0.00 57.90 57.50 3ihy n TYR 395 Cb 0.11 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 2.55 0.86 -0.80 7.72 5.85 -0.91 0.33 115.31 130.90 3ihy h LEU 396 Ca 0.00 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.60 3ihy h LEU 396 Cb 0.61 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3ihy h LEU 396 CO 0.00 0.87 0.43 0.25 -0.34 0.00 0.00 178.44 179.64 3ihy h LEU 397 N 0.81 0.57 -0.10 2.25 5.85 -1.85 -1.05 115.31 121.80 3ihy h LEU 397 Ca 0.18 0.06 -0.24 0.00 0.84 0.00 0.00 57.88 58.72 3ihy h LEU 397 Cb 0.34 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.35 3ihy h LEU 397 CO 0.00 0.31 -0.92 1.56 -0.34 0.00 0.00 178.44 179.05 3ihy h GLN 398 N 0.69 0.70 -0.94 1.25 7.50 -1.78 -3.13 115.11 119.40 3ihy h GLN 398 Ca 0.40 -0.67 0.07 0.00 0.50 0.00 0.00 58.65 58.95 3ihy h GLN 398 Cb 0.44 0.17 -0.07 0.00 0.05 0.00 0.00 27.48 28.08 3ihy h GLN 398 CO -0.28 1.27 0.60 -0.07 -1.50 0.00 0.00 178.83 178.84 3ihy h LEU 399 N 0.43 0.95 -1.76 1.46 3.38 -0.43 -1.71 115.31 117.62 3ihy h LEU 399 Ca -0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3ihy h LEU 399 Cb 1.56 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3ihy h LEU 399 CO 0.18 0.60 -0.15 0.58 0.09 0.00 0.00 178.44 179.73 3ihy h VAL 400 N 1.08 0.96 -0.08 1.22 2.07 -1.16 0.09 116.25 120.42 3ihy h VAL 400 Ca 0.41 -0.55 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 3ihy h VAL 400 Cb 0.19 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3ihy h VAL 400 CO -0.18 0.15 -0.66 1.56 0.02 0.00 0.00 177.57 178.46 3ihy h GLN 401 N 0.00 0.34 -0.07 1.57 1.08 -1.34 -3.19 115.11 113.50 3ihy h GLN 401 Ca -0.00 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 56.96 3ihy h GLN 401 Cb 0.30 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3ihy h GLN 401 CO 0.02 0.88 0.07 0.00 -0.95 0.00 0.00 178.83 178.86 3ihy h ALA 402 N 1.05 1.66 -0.65 3.87 0.00 -0.12 -0.58 119.26 124.50 3ihy h ALA 402 Ca -0.02 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.05 3ihy h ALA 402 Cb 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3ihy h ALA 402 CO 0.11 -0.11 0.45 -0.07 0.00 0.00 0.00 179.25 179.63 3ihy h LEU 403 N 0.00 0.15 -2.06 0.00 3.38 -1.51 0.34 115.31 115.60 3ihy h LEU 403 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ihy h LEU 403 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ihy h LEU 403 CO -0.00 0.08 0.15 0.11 0.09 0.00 0.00 178.44 178.87 3ihy h LYS 404 N 0.16 0.00 -0.28 1.13 1.57 -1.31 -1.38 116.57 116.45 3ihy h LYS 404 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3ihy h LYS 404 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3ihy h LYS 404 CO -0.05 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.49 3ihy n TYR 405 N -2.71 0.38 -1.97 -1.35 4.01 0.12 -4.99 117.16 110.65 3ihy n TYR 405 Ca -0.02 -0.43 -0.20 0.00 -0.16 0.00 0.00 57.90 57.09 3ihy n TYR 405 Cb 0.20 -0.02 0.13 0.00 -0.31 0.00 0.00 39.34 39.33 3ihy n TYR 405 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ihy n GLU 406 N 0.47 -0.56 -3.33 -0.72 -0.58 -0.52 -5.00 120.64 110.39 3ihy n GLU 406 Ca 0.10 -1.66 -0.41 0.00 -0.42 0.00 0.00 57.16 54.77 3ihy n GLU 406 Cb 0.39 -0.80 -0.09 0.00 -0.57 0.00 0.00 31.44 30.37 3ihy n GLU 406 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ihy s ASN 407 N -4.30 6.23 0.33 1.62 3.84 -1.26 -4.96 114.94 116.43 3ihy s ASN 407 Ca 0.52 -0.23 0.09 0.00 0.21 0.00 0.00 52.86 53.45 3ihy s ASN 407 Cb -0.02 -2.22 0.57 0.00 -0.55 0.00 0.00 41.25 39.02 3ihy s ASN 407 CO 0.36 -0.42 1.76 -0.26 -2.79 0.00 0.00 177.10 175.75 3ihy h PHE 408 N 8.50 0.20 0.26 0.43 -1.00 -1.95 -2.21 116.94 121.17 3ihy h PHE 408 Ca -0.29 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.43 3ihy h PHE 408 Cb 1.13 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.65 3ihy h PHE 408 CO 0.69 0.52 -0.12 -0.44 -1.61 0.00 0.00 178.31 177.35 3ihy h ASP 409 N 0.16 -0.29 -0.92 2.17 3.32 -1.99 -1.48 116.42 117.39 3ihy h ASP 409 Ca 0.02 -0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.10 3ihy h ASP 409 Cb 0.71 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 3ihy h ASP 409 CO 0.05 -0.11 0.59 0.44 -1.72 0.00 0.00 179.24 178.49 3ihy h ASP 410 N -0.45 0.82 0.13 6.45 3.32 -1.87 0.75 116.42 125.57 3ihy h ASP 410 Ca -0.04 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3ihy h ASP 410 Cb 0.34 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3ihy h ASP 410 CO 0.06 0.47 -0.06 0.40 -1.72 0.00 0.00 179.24 178.39 3ihy h ILE 411 N 0.90 1.04 -0.49 0.35 2.04 -1.28 -2.79 117.51 117.28 3ihy h ILE 411 Ca 0.43 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3ihy h ILE 411 Cb 0.44 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3ihy h ILE 411 CO -0.20 0.18 0.16 0.50 0.00 0.00 0.00 178.15 178.79 3ihy h LYS 412 N -0.53 0.75 0.00 2.37 3.64 -0.85 -3.00 116.57 118.95 3ihy h LYS 412 Ca -0.02 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3ihy h LYS 412 Cb 0.42 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ihy h LYS 412 CO 0.03 0.70 0.00 -0.91 -2.27 0.00 0.00 179.45 177.00 3ihy h ASN 413 N 0.65 0.00 0.00 4.20 2.35 0.53 -1.93 115.58 121.38 3ihy h ASN 413 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3ihy h ASN 413 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3ihy h ASN 413 CO -0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 3ihy n GLY 414 N -1.09 1.75 4.09 2.83 0.00 -1.06 -5.06 105.19 106.65 3ihy n GLY 414 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ihy n GLY 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ihy n LEU 415 N 0.26 0.00 -0.49 0.99 4.32 -0.73 -4.95 117.00 116.40 3ihy n LEU 415 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3ihy n LEU 415 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 3ihy n LEU 415 CO 0.00 0.00 0.00 0.18 -1.22 0.00 0.00 177.39 176.35 3ihy n LEU 471 N 0.00 0.00 -0.00 2.23 4.77 -1.26 -4.60 117.00 118.14 3ihy n LEU 471 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3ihy n LEU 471 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3ihy n LEU 471 CO 0.00 0.00 -0.17 -1.84 -1.33 0.00 0.00 177.39 174.05 3ihy n GLU 472 N 0.14 0.99 -4.39 3.23 0.00 -1.26 -4.92 120.64 114.42 3ihy n GLU 472 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 57.16 56.79 3ihy n GLU 472 Cb 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 31.44 29.96 3ihy n GLU 472 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3ihy s GLN 473 N -2.80 3.52 1.00 3.44 -0.21 -1.26 -5.09 119.66 118.26 3ihy s GLN 473 Ca 0.04 -0.49 -0.17 0.00 0.02 0.00 0.00 55.36 54.76 3ihy s GLN 473 Cb 0.13 -2.89 0.22 0.00 1.00 0.00 0.00 33.01 31.47 3ihy s GLN 473 CO 0.74 0.35 1.30 0.16 -2.12 0.00 0.00 175.29 175.72 3ihy s ASP 474 N 0.08 2.73 0.08 5.90 -4.77 -1.26 -4.76 116.67 114.67 3ihy s ASP 474 Ca 0.00 0.28 -0.21 0.00 -3.30 0.00 0.00 52.55 49.33 3ihy s ASP 474 Cb -0.13 -0.33 -0.10 0.00 -1.09 0.00 0.00 42.92 41.27 3ihy s ASP 474 CO 0.02 -2.97 1.62 0.25 0.70 0.00 0.00 175.17 174.79 3ihy h LEU 475 N -1.81 0.22 -0.04 2.11 5.85 -1.98 -1.92 115.31 117.75 3ihy h LEU 475 Ca -0.44 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.14 3ihy h LEU 475 Cb 1.24 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3ihy h LEU 475 CO 0.36 0.32 -0.17 0.00 -0.34 0.00 0.00 178.44 178.61 3ihy h THR 477 N -0.26 0.89 -0.04 0.00 2.02 -1.93 -1.56 112.91 112.03 3ihy h THR 477 Ca 0.07 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3ihy h THR 477 Cb 0.35 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3ihy h THR 477 CO -0.19 0.12 0.01 0.15 0.37 0.00 0.00 175.52 175.98 3ihy h PHE 478 N 0.65 0.07 -0.06 3.16 3.57 -0.44 -0.34 116.94 123.55 3ihy h PHE 478 Ca 0.34 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.86 3ihy h PHE 478 Cb 0.31 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3ihy h PHE 478 CO -0.09 0.25 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.07 3ihy h LEU 479 N -0.14 -0.30 -0.28 0.59 3.38 -0.16 -1.21 115.31 117.20 3ihy h LEU 479 Ca 0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ihy h LEU 479 Cb 0.22 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3ihy h LEU 479 CO -0.00 -0.14 0.12 0.40 0.09 0.00 0.00 178.44 178.91 3ihy h ILE 480 N -0.14 0.97 -0.47 1.22 2.04 -1.25 -1.67 117.51 118.21 3ihy h ILE 480 Ca 0.06 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3ihy h ILE 480 Cb 0.22 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3ihy h ILE 480 CO -0.15 0.05 0.32 -1.28 0.00 0.00 0.00 178.15 177.09 3ihy h SER 481 N 0.27 0.30 0.54 1.72 0.87 -0.81 -1.80 113.55 114.64 3ihy h SER 481 Ca 0.12 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.43 3ihy h SER 481 Cb 0.05 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3ihy h SER 481 CO -0.09 0.19 -1.08 0.03 -0.53 0.00 0.00 176.83 175.35 3ihy h ARG 482 N 0.34 0.30 -0.86 2.24 2.47 -0.67 -3.28 114.38 114.91 3ihy h ARG 482 Ca 0.21 -0.41 -0.03 0.00 -1.26 0.00 0.00 59.98 58.50 3ihy h ARG 482 Cb 0.38 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 3ihy h ARG 482 CO -0.05 1.14 0.44 0.00 0.56 0.00 0.00 179.97 182.06 3ihy h ALA 483 N 0.70 1.11 -0.08 0.04 0.00 -0.71 -0.43 119.26 119.89 3ihy h ALA 483 Ca -0.10 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ihy h ALA 483 Cb 1.77 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3ihy h ALA 483 CO 0.18 0.65 0.07 0.00 0.00 0.00 0.00 179.25 180.15 3ihy n LYS 485 N -4.16 0.60 -3.85 0.00 5.02 -1.06 -4.89 118.16 109.82 3ihy n LYS 485 Ca -0.01 -0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 55.92 3ihy n LYS 485 Cb 0.17 -1.44 -0.17 0.00 -0.02 0.00 0.00 35.03 33.58 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 -3.51 2.69 0.47 4.39 3.84 -0.20 -5.01 114.94 117.61 3ihy s ASN 486 Ca 0.01 -0.62 0.29 0.00 0.21 0.00 0.00 52.86 52.75 3ihy s ASN 486 Cb 0.14 -0.80 0.96 0.00 -0.55 0.00 0.00 41.25 40.99 3ihy s ASN 486 CO 0.81 -0.21 1.82 0.77 -2.79 0.00 0.00 177.10 177.51 3ihy h SER 487 N 8.16 0.00 0.00 -4.21 4.64 -1.88 -0.15 113.55 120.11 3ihy h SER 487 Ca -0.22 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 3ihy h SER 487 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ihy h SER 487 CO 0.37 0.00 -0.18 0.74 -0.87 0.00 0.00 176.83 176.89 3ihy h THR 488 N 0.00 1.58 -0.95 2.95 2.02 -1.95 -2.71 112.91 113.85 3ihy h THR 488 Ca 0.00 -1.95 0.10 0.00 0.77 0.00 0.00 66.41 65.33 3ihy h THR 488 Cb 0.68 2.84 -0.08 0.00 -1.74 0.00 0.00 68.15 69.85 3ihy h THR 488 CO 0.00 0.53 0.59 -0.07 0.37 0.00 0.00 175.52 176.93 3ihy h LEU 489 N -0.60 0.88 -1.21 2.58 3.38 -1.83 -2.32 115.31 116.19 3ihy h LEU 489 Ca -0.02 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3ihy h LEU 489 Cb 0.96 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3ihy h LEU 489 CO 0.04 0.50 0.06 0.00 0.09 0.00 0.00 178.44 179.12 3ihy h ALA 490 N 1.49 1.36 0.37 1.53 0.00 -0.99 0.68 119.26 123.71 3ihy h ALA 490 Ca 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ihy h ALA 490 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ihy h ALA 490 CO -0.24 0.45 -0.18 -0.97 0.00 0.00 0.00 179.25 178.31 3ihy h ASN 491 N 0.58 -0.42 -0.47 0.00 -1.24 -1.10 0.47 115.58 113.41 3ihy h ASN 491 Ca 0.13 -0.14 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 3ihy h ASN 491 Cb 0.28 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 3ihy h ASN 491 CO 0.00 -0.04 0.13 1.88 -1.29 0.00 0.00 177.43 178.11 3ihy h TYR 492 N -0.85 0.84 -0.40 0.67 0.05 -1.33 0.15 116.97 116.10 3ihy h TYR 492 Ca -0.05 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.58 3ihy h TYR 492 Cb 0.54 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 3ihy h TYR 492 CO 0.02 0.70 -0.07 1.25 -1.05 0.00 0.00 178.16 179.02 3ihy h LEU 493 N 0.79 0.65 0.39 3.88 5.85 -0.86 0.15 115.31 126.16 3ihy h LEU 493 Ca 0.17 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3ihy h LEU 493 Cb 0.29 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3ihy h LEU 493 CO -0.00 0.77 -0.19 0.22 -0.34 0.00 0.00 178.44 178.89 3ihy h TYR 494 N 0.62 -0.49 -0.57 1.25 5.03 0.14 -2.53 116.97 120.42 3ihy h TYR 494 Ca 0.12 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.33 3ihy h TYR 494 Cb 0.49 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 3ihy h TYR 494 CO 0.02 -0.16 0.03 -1.49 -1.32 0.00 0.00 178.16 175.24 3ihy h TRP 495 N -0.86 1.03 -0.67 -3.82 4.06 -0.71 -1.10 115.95 113.87 3ihy h TRP 495 Ca -0.05 -0.15 -0.05 0.00 2.06 0.00 0.00 58.89 60.70 3ihy h TRP 495 Cb 0.55 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.40 3ihy h TRP 495 CO 0.02 0.90 0.22 1.88 -3.56 0.00 0.00 178.44 177.90 3ihy h TYR 496 N 0.89 1.04 0.12 0.49 0.05 -0.76 -2.64 116.97 116.15 3ihy h TYR 496 Ca 0.17 -0.09 -0.25 0.00 0.05 0.00 0.00 58.73 58.61 3ihy h TYR 496 Cb 0.47 -0.31 0.03 0.00 1.01 0.00 0.00 36.73 37.93 3ihy h TYR 496 CO 0.03 0.82 -1.05 0.28 -1.05 0.00 0.00 178.16 177.19 3ihy h VAL 497 N 0.98 1.36 -0.20 -2.88 2.07 -1.25 -3.09 116.25 113.24 3ihy h VAL 497 Ca 0.22 -2.43 -0.07 0.00 0.82 0.00 0.00 66.70 65.24 3ihy h VAL 497 Cb 0.26 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3ihy h VAL 497 CO -0.01 0.72 -0.18 0.16 0.02 0.00 0.00 177.57 178.28 3ihy h ILE 498 N 0.04 1.22 -0.31 4.57 3.07 -1.19 -0.57 117.51 124.34 3ihy h ILE 498 Ca -0.16 -1.02 -0.01 0.00 1.55 0.00 0.00 64.86 65.22 3ihy h ILE 498 Cb 1.77 1.27 -0.02 0.00 -0.27 0.00 0.00 36.82 39.57 3ihy h ILE 498 CO 0.20 0.32 0.16 0.58 -1.05 0.00 0.00 178.15 178.36 3ihy h VAL 499 N 0.32 1.11 -0.40 0.16 2.07 -1.54 0.35 116.25 118.32 3ihy h VAL 499 Ca 0.06 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 3ihy h VAL 499 Cb 0.51 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ihy h VAL 499 CO 0.03 0.12 -0.31 -0.33 0.02 0.00 0.00 177.57 177.10 3ihy h GLU 500 N 0.43 0.92 -0.78 1.57 4.39 -1.18 -2.99 114.58 116.93 3ihy h GLU 500 Ca 0.11 -0.45 0.02 0.00 0.34 0.00 0.00 59.36 59.38 3ihy h GLU 500 Cb 0.03 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3ihy h GLU 500 CO -0.02 1.10 0.51 0.00 -1.16 0.00 0.00 179.01 179.44 3ihy n GLU 502 N -4.58 1.18 -2.38 0.00 1.02 0.11 -4.73 120.64 111.25 3ihy n GLU 502 Ca 0.09 -0.26 -0.38 0.00 -0.02 0.00 0.00 57.16 56.59 3ihy n GLU 502 Cb 0.06 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.90 5.96 0.24 1.62 -1.08 -1.13 -4.79 116.67 115.59 3ihy s ASP 503 Ca 0.41 -0.75 -0.05 0.00 -0.52 0.00 0.00 52.55 51.65 3ihy s ASP 503 Cb 0.20 -2.56 0.38 0.00 -1.46 0.00 0.00 42.92 39.48 3ihy s ASP 503 CO 0.33 -1.97 1.82 1.56 0.52 0.00 0.00 175.17 177.43 3ihy h GLN 504 N 10.90 0.80 -0.80 4.34 4.20 -1.90 -2.47 115.11 130.18 3ihy h GLN 504 Ca -0.03 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.76 3ihy h GLN 504 Cb 1.04 -0.18 -0.14 0.00 0.30 0.00 0.00 27.48 28.51 3ihy h GLN 504 CO 1.31 0.53 -0.38 0.22 -0.67 0.00 0.00 178.83 179.85 3ihy h ASP 505 N 0.83 -1.36 -0.53 1.46 -0.00 -1.99 -1.48 116.42 113.34 3ihy h ASP 505 Ca 0.39 0.27 -0.08 0.00 -0.00 0.00 0.00 57.03 57.62 3ihy h ASP 505 Cb 0.32 0.69 -0.02 0.00 -0.00 0.00 0.00 39.33 40.32 3ihy h ASP 505 CO -0.23 -0.30 0.03 0.74 -0.00 0.00 0.00 179.24 179.48 3ihy h THR 506 N -0.08 1.26 -0.87 2.25 2.02 -1.84 -2.21 112.91 113.43 3ihy h THR 506 Ca 0.28 -1.05 0.14 0.00 0.77 0.00 0.00 66.41 66.55 3ihy h THR 506 Cb 0.57 0.90 -0.15 0.00 -1.74 0.00 0.00 68.15 67.74 3ihy h THR 506 CO -0.84 0.37 -0.36 1.56 0.37 0.00 0.00 175.52 176.62 3ihy h GLN 507 N 0.78 -0.05 0.58 6.66 4.20 -0.89 -0.29 115.11 126.11 3ihy h GLN 507 Ca 0.15 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 3ihy h GLN 507 Cb 0.49 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.29 3ihy h GLN 507 CO 0.02 -0.03 -0.28 1.96 -0.67 0.00 0.00 178.83 179.83 3ihy h GLN 508 N -0.05 -0.75 0.00 1.46 4.20 -1.27 -3.30 115.11 115.40 3ihy h GLN 508 Ca 0.32 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 3ihy h GLN 508 Cb 0.59 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 3ihy h GLN 508 CO -0.90 -0.50 -0.17 0.00 -0.67 0.00 0.00 178.83 176.60 3ihy h ARG 509 N -1.10 0.00 -0.85 1.46 3.08 -1.24 -3.38 114.38 112.35 3ihy h ARG 509 Ca -0.08 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.63 3ihy h ARG 509 Cb 0.60 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.35 3ihy h ARG 509 CO 0.13 0.17 -0.88 -3.47 -1.07 0.00 0.00 179.97 174.85 3ihy n ASP 510 N -3.16 -0.11 -0.18 7.04 2.03 -0.13 -5.01 116.55 117.02 3ihy n ASP 510 Ca 0.03 -2.89 0.26 0.00 0.52 0.00 0.00 54.79 52.71 3ihy n ASP 510 Cb 0.56 0.21 0.67 0.00 -0.72 0.00 0.00 41.12 41.84 3ihy n ASP 510 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ihy h PRO 511 N 2.76 0.10 -0.37 -0.67 0.11 -1.63 0.25 132.00 132.56 3ihy h PRO 511 Ca -0.09 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 3ihy h PRO 511 Cb 1.14 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3ihy h PRO 511 CO 0.31 0.07 -0.01 0.87 -0.21 0.00 0.00 178.00 179.02 3ihy h LYS 512 N 0.10 0.59 0.01 1.05 1.57 -1.91 -0.75 116.57 117.23 3ihy h LYS 512 Ca 0.42 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.87 3ihy h LYS 512 Cb 1.52 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 3ihy h LYS 512 CO -0.05 0.62 -0.88 1.15 -0.57 0.00 0.00 179.45 179.71 3ihy h THR 513 N 0.56 1.54 -0.38 -0.16 2.02 -0.86 -2.15 112.91 113.49 3ihy h THR 513 Ca 0.12 -2.77 -0.10 0.00 0.77 0.00 0.00 66.41 64.43 3ihy h THR 513 Cb 0.37 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 3ihy h THR 513 CO 0.01 0.80 -0.14 -0.74 0.37 0.00 0.00 175.52 175.82 3ihy h HIS 514 N 0.06 0.86 -0.49 3.16 -0.00 -1.19 -2.44 115.15 115.11 3ihy h HIS 514 Ca -0.03 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.37 60.11 3ihy h HIS 514 Cb 1.53 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.71 3ihy h HIS 514 CO 0.02 0.92 0.19 0.93 -0.00 0.00 0.00 177.93 180.00 3ihy h GLU 515 N 0.56 0.70 -0.48 5.26 5.08 -1.15 -2.01 114.58 122.54 3ihy h GLU 515 Ca 0.09 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3ihy h GLU 515 Cb 0.67 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3ihy h GLU 515 CO 0.05 0.58 0.19 1.98 -1.00 0.00 0.00 179.01 180.81 3ihy h MET 516 N 0.70 0.72 -0.37 2.33 4.05 -1.22 0.22 114.93 121.37 3ihy h MET 516 Ca 0.17 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 3ihy h MET 516 Cb 0.14 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3ihy h MET 516 CO -0.02 0.65 -0.22 1.88 0.23 0.00 0.00 176.91 179.44 3ihy h TYR 517 N 0.64 0.81 0.40 1.39 0.05 -1.27 0.19 116.97 119.18 3ihy h TYR 517 Ca 0.16 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 3ihy h TYR 517 Cb 0.20 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.75 3ihy h TYR 517 CO 0.00 0.87 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.72 3ihy h LEU 518 N 0.63 -0.45 -1.85 3.88 3.38 -0.95 -0.74 115.31 119.21 3ihy h LEU 518 Ca 0.09 -0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.36 3ihy h LEU 518 Cb 0.71 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 3ihy h LEU 518 CO 0.05 -0.28 0.77 0.78 0.09 0.00 0.00 178.44 179.85 3ihy h ASN 519 N -0.59 0.11 -0.02 -0.43 2.35 -0.45 0.24 115.58 116.79 3ihy h ASN 519 Ca -0.05 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 3ihy h ASN 519 Cb 0.44 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.82 3ihy h ASN 519 CO 0.09 0.02 -0.54 0.58 -1.65 0.00 0.00 177.43 175.93 3ihy h VAL 520 N 0.09 1.43 -0.81 2.81 2.07 0.21 -0.43 116.25 121.62 3ihy h VAL 520 Ca 0.55 -2.01 0.03 0.00 0.82 0.00 0.00 66.70 66.08 3ihy h VAL 520 Cb 1.98 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 34.24 3ihy h VAL 520 CO -0.08 0.58 0.52 -0.03 0.02 0.00 0.00 177.57 178.59 3ihy h MET 521 N -0.11 1.00 -0.21 1.57 1.85 -0.47 -1.45 114.93 117.10 3ihy h MET 521 Ca -0.06 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 58.96 3ihy h MET 521 Cb 1.25 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 3ihy h MET 521 CO 0.11 0.66 0.12 0.00 -0.40 0.00 0.00 176.91 177.39 3ihy h ARG 522 N 1.03 0.30 -0.19 0.39 3.08 -0.54 -2.41 114.38 116.03 3ihy h ARG 522 Ca 0.32 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.37 3ihy h ARG 522 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3ihy h ARG 522 CO -0.10 0.27 0.13 0.00 -1.07 0.00 0.00 179.97 179.20 3ihy h ARG 523 N 0.24 0.12 0.11 0.04 2.47 -0.68 -1.45 114.38 115.23 3ihy h ARG 523 Ca 0.07 -0.01 -0.19 0.00 -1.26 0.00 0.00 59.98 58.59 3ihy h ARG 523 Cb 0.06 -0.03 0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3ihy h ARG 523 CO -0.01 0.08 -0.83 0.35 0.56 0.00 0.00 179.97 180.12 3ihy h PHE 524 N 0.12 0.62 0.32 3.04 3.57 -1.16 -2.15 116.94 121.30 3ihy h PHE 524 Ca 0.08 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 3ihy h PHE 524 Cb 0.19 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3ihy h PHE 524 CO -0.00 1.30 -0.15 1.03 -2.23 0.00 0.00 178.31 178.25 3ihy h SER 525 N -0.23 -0.36 -0.68 0.41 0.87 -1.04 -1.40 113.55 111.11 3ihy h SER 525 Ca -0.14 -0.06 0.14 0.00 -1.23 0.00 0.00 61.79 60.51 3ihy h SER 525 Cb 1.61 0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 63.55 3ihy h SER 525 CO 0.16 -0.17 0.07 -0.61 -0.53 0.00 0.00 176.83 175.75 3ihy h GLN 526 N -0.53 0.17 -0.62 2.24 4.15 -1.39 0.22 115.11 119.35 3ihy h GLN 526 Ca -0.04 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 3ihy h GLN 526 Cb 0.39 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3ihy h GLN 526 CO 0.07 0.11 0.08 0.00 -1.93 0.00 0.00 178.83 177.17 3ihy h ALA 527 N 1.60 0.97 -0.08 3.38 0.00 -1.08 -2.33 119.26 121.71 3ihy h ALA 527 Ca 0.37 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3ihy h ALA 527 Cb 0.62 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ihy h ALA 527 CO -0.53 0.64 -0.42 -0.07 0.00 0.00 0.00 179.25 178.87 3ihy h LEU 528 N 0.96 0.18 -0.47 0.00 3.38 -0.53 -2.96 115.31 115.87 3ihy h LEU 528 Ca 0.19 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3ihy h LEU 528 Cb 0.44 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ihy h LEU 528 CO 0.01 0.58 -0.17 -0.07 0.09 0.00 0.00 178.44 178.88 3ihy h LEU 529 N 0.15 0.97 0.00 1.67 3.38 -0.46 -2.55 115.31 118.47 3ihy h LEU 529 Ca 0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ihy h LEU 529 Cb 0.80 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3ihy h LEU 529 CO 0.06 1.14 0.00 0.29 0.09 0.00 0.00 178.44 180.02 3ihy n LYS 530 N -4.17 0.19 -1.25 1.13 5.02 -0.96 -4.82 118.16 113.30 3ihy n LYS 530 Ca -0.00 0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 3ihy n LYS 530 Cb 0.43 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.17 3ihy n LYS 530 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3ihy s GLY 531 N -2.52 1.63 1.11 0.72 0.00 -0.96 -5.07 107.32 102.23 3ihy s GLY 531 Ca 0.12 -1.03 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 3ihy s GLY 531 CO 0.18 -0.15 1.23 0.51 0.00 0.00 0.00 173.10 174.87 3ihy s ASP 532 N -4.12 1.75 0.34 1.64 -4.77 -1.26 -4.76 116.67 105.49 3ihy s ASP 532 Ca 0.72 0.35 0.02 0.00 -3.30 0.00 0.00 52.55 50.34 3ihy s ASP 532 Cb -0.08 -0.41 0.59 0.00 -1.09 0.00 0.00 42.92 41.94 3ihy s ASP 532 CO 0.55 -3.59 1.95 0.07 0.70 0.00 0.00 175.17 174.86 3ihy h LYS 533 N -2.22 0.76 -0.58 2.11 -0.00 -1.97 -1.60 116.57 113.08 3ihy h LYS 533 Ca -0.43 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.65 60.04 3ihy h LYS 533 Cb 1.25 -0.15 -0.02 0.00 -0.00 0.00 0.00 32.23 33.31 3ihy h LYS 533 CO 0.31 0.58 0.02 0.66 -0.00 0.00 0.00 179.45 181.02 3ihy h SER 534 N 0.77 0.96 -0.15 7.07 4.64 -1.99 0.12 113.55 124.97 3ihy h SER 534 Ca 0.19 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 3ihy h SER 534 Cb 0.06 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3ihy h SER 534 CO -0.03 1.00 -0.34 0.58 -0.87 0.00 0.00 176.83 177.17 3ihy h VAL 535 N 0.91 1.29 -0.11 0.95 2.07 -1.78 -1.71 116.25 117.87 3ihy h VAL 535 Ca 0.17 -1.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.09 3ihy h VAL 535 Cb 0.51 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3ihy h VAL 535 CO 0.02 0.48 -0.45 0.03 0.02 0.00 0.00 177.57 177.67 3ihy h ARG 536 N 0.56 0.27 -0.30 1.57 3.08 -0.65 -2.06 114.38 116.85 3ihy h ARG 536 Ca 0.06 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3ihy h ARG 536 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3ihy h ARG 536 CO 0.07 0.68 0.03 0.28 -1.07 0.00 0.00 179.97 179.96 3ihy h VAL 537 N 0.22 1.24 -0.90 2.04 2.07 -0.69 -2.21 116.25 118.02 3ihy h VAL 537 Ca 0.01 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.77 3ihy h VAL 537 Cb 0.89 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3ihy h VAL 537 CO 0.07 0.28 0.58 -0.03 0.02 0.00 0.00 177.57 178.49 3ihy h MET 538 N 0.31 0.90 -0.55 1.57 1.85 -1.01 0.50 114.93 118.50 3ihy h MET 538 Ca 0.09 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.09 3ihy h MET 538 Cb 0.38 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.18 3ihy h MET 538 CO 0.01 0.60 0.20 -0.09 -0.40 0.00 0.00 176.91 177.23 3ihy h ARG 539 N 0.93 0.84 0.00 0.39 2.43 -1.28 -2.36 114.38 115.32 3ihy h ARG 539 Ca 0.41 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 3ihy h ARG 539 Cb 0.35 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3ihy h ARG 539 CO -0.17 0.74 -0.44 0.66 -1.51 0.00 0.00 179.97 179.25 3ihy h SER 540 N 0.76 0.00 -0.02 -3.80 4.64 -0.49 -1.86 113.55 112.78 3ihy h SER 540 Ca 0.18 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 3ihy h SER 540 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3ihy h SER 540 CO -0.01 0.44 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.06 3ihy h LEU 541 N 0.00 0.45 0.52 5.97 3.38 -0.86 -0.21 115.31 124.57 3ihy h LEU 541 Ca -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3ihy h LEU 541 Cb 0.83 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3ihy h LEU 541 CO 0.06 0.71 -0.41 -0.07 0.09 0.00 0.00 178.44 178.82 3ihy h LEU 542 N 0.40 -1.08 -0.89 1.67 3.38 -0.80 -1.81 115.31 116.17 3ihy h LEU 542 Ca 0.06 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.32 3ihy h LEU 542 Cb 0.68 0.34 -0.16 0.00 0.09 0.00 0.00 40.66 41.60 3ihy h LEU 542 CO 0.05 -0.58 -0.05 0.00 0.09 0.00 0.00 178.44 177.95 3ihy h ALA 543 N -1.18 0.89 -0.81 1.53 0.00 -1.40 0.23 119.26 118.51 3ihy h ALA 543 Ca -0.07 0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3ihy h ALA 543 Cb 0.75 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 3ihy h ALA 543 CO 0.01 -0.47 0.49 0.00 0.00 0.00 0.00 179.25 179.28 3ihy h ALA 544 N 1.88 1.12 -0.15 0.00 0.00 -0.74 0.81 119.26 122.17 3ihy h ALA 544 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3ihy h ALA 544 Cb 0.91 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ihy h ALA 544 CO -0.85 0.20 -0.03 1.96 0.00 0.00 0.00 179.25 180.53 3ihy h GLN 545 N 0.88 0.30 -0.85 0.00 4.20 0.27 -0.75 115.11 119.16 3ihy h GLN 545 Ca 0.36 -0.11 0.15 0.00 0.06 0.00 0.00 58.65 59.11 3ihy h GLN 545 Cb 0.20 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.87 3ihy h GLN 545 CO -0.19 0.57 0.43 0.37 -0.67 0.00 0.00 178.83 179.35 3ihy h GLN 546 N 0.00 0.60 -0.31 1.46 5.75 -0.72 0.23 115.11 122.11 3ihy h GLN 546 Ca 0.04 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3ihy h GLN 546 Cb 0.46 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3ihy h GLN 546 CO 0.01 0.40 0.10 1.15 -2.65 0.00 0.00 178.83 177.84 3ihy h THR 547 N 0.61 1.20 0.05 2.39 2.02 -0.64 0.23 112.91 118.78 3ihy h THR 547 Ca 0.46 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 67.00 3ihy h THR 547 Cb 0.66 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3ihy h THR 547 CO -0.37 0.22 -0.14 0.15 0.37 0.00 0.00 175.52 175.76 3ihy h PHE 548 N 0.35 -0.36 0.00 3.16 3.04 0.22 -1.14 116.94 122.21 3ihy h PHE 548 Ca 0.10 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 3ihy h PHE 548 Cb 0.25 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 3ihy h PHE 548 CO 0.01 -0.21 -0.22 0.28 -2.02 0.00 0.00 178.31 176.15 3ihy h VAL 549 N -0.26 1.15 -0.09 1.41 2.07 -0.46 0.66 116.25 120.73 3ihy h VAL 549 Ca 0.03 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3ihy h VAL 549 Cb 0.30 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3ihy h VAL 549 CO -0.10 0.22 0.03 0.44 0.02 0.00 0.00 177.57 178.18 3ihy h ASP 550 N 0.00 0.12 -0.17 0.57 3.32 0.04 -1.62 116.42 118.68 3ihy h ASP 550 Ca -0.00 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 3ihy h ASP 550 Cb 0.39 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3ihy h ASP 550 CO 0.03 0.27 -0.13 0.03 -1.72 0.00 0.00 179.24 177.72 3ihy h ARG 551 N -0.03 0.55 -0.43 3.56 3.08 -0.76 -2.22 114.38 118.13 3ihy h ARG 551 Ca 0.03 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 3ihy h ARG 551 Cb 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3ihy h ARG 551 CO -0.00 0.67 -0.06 1.25 -1.07 0.00 0.00 179.97 180.76 3ihy h LEU 552 N 0.51 0.70 -0.43 3.04 5.85 -0.75 -0.60 115.31 123.63 3ihy h LEU 552 Ca 0.09 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3ihy h LEU 552 Cb 0.53 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3ihy h LEU 552 CO 0.03 0.81 0.24 0.58 -0.34 0.00 0.00 178.44 179.76 3ihy h VAL 553 N 0.67 1.15 -0.43 1.05 2.07 -1.00 -1.78 116.25 117.98 3ihy h VAL 553 Ca 0.12 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3ihy h VAL 553 Cb 0.50 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ihy h VAL 553 CO 0.03 0.16 0.28 -0.74 0.02 0.00 0.00 177.57 177.31 3ihy h HIS 554 N 0.56 0.52 -0.40 1.57 -0.00 -1.06 -1.34 115.15 115.00 3ihy h HIS 554 Ca 0.15 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.62 3ihy h HIS 554 Cb 0.04 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 27.19 3ihy h HIS 554 CO -0.03 0.33 -0.13 1.25 -0.00 0.00 0.00 177.93 179.35 3ihy h LEU 555 N 0.57 -0.46 -0.84 0.26 5.85 -0.96 -2.47 115.31 117.25 3ihy h LEU 555 Ca 0.16 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3ihy h LEU 555 Cb -0.05 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3ihy h LEU 555 CO -0.04 -0.16 0.44 0.24 -0.34 0.00 0.00 178.44 178.57 3ihy h MET 556 N -0.04 1.19 -0.33 1.25 2.86 -0.51 -1.10 114.93 118.25 3ihy h MET 556 Ca 0.20 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3ihy h MET 556 Cb 0.34 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3ihy h MET 556 CO -0.44 0.89 0.20 0.87 1.06 0.00 0.00 176.91 179.49 3ihy h LYS 557 N 1.18 0.45 -0.84 1.72 1.57 -1.10 0.35 116.57 119.91 3ihy h LYS 557 Ca 0.29 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.18 3ihy h LYS 557 Cb 0.06 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.18 3ihy h LYS 557 CO -0.04 0.35 0.41 0.00 -0.57 0.00 0.00 179.45 179.60 3ihy h ALA 558 N 1.08 1.26 0.12 3.86 0.00 -0.98 -1.95 119.26 122.65 3ihy h ALA 558 Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ihy h ALA 558 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ihy h ALA 558 CO -0.02 -0.13 -0.06 0.28 0.00 0.00 0.00 179.25 179.32 3ihy h VAL 559 N 0.58 0.75 -0.91 0.00 2.07 -0.36 -3.33 116.25 115.06 3ihy h VAL 559 Ca 0.46 -1.28 0.12 0.00 0.82 0.00 0.00 66.70 66.82 3ihy h VAL 559 Cb 0.69 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3ihy h VAL 559 CO -0.38 0.22 0.58 1.56 0.02 0.00 0.00 177.57 179.57 3ihy h GLN 560 N -0.94 0.81 -1.54 1.57 4.20 -0.26 -2.65 115.11 116.29 3ihy h GLN 560 Ca -0.02 -0.05 -0.40 0.00 0.06 0.00 0.00 58.65 58.25 3ihy h GLN 560 Cb 0.48 -0.18 -0.16 0.00 0.30 0.00 0.00 27.48 27.92 3ihy h GLN 560 CO 0.03 0.53 0.47 2.89 -0.67 0.00 0.00 178.83 182.08 3ihy n ARG 561 N -4.56 2.01 -3.75 1.46 1.85 -0.74 -4.74 116.66 108.20 3ihy n ARG 561 Ca 0.17 -1.91 -0.30 0.00 -1.00 0.00 0.00 57.85 54.81 3ihy n ARG 561 Cb 0.37 -1.78 -0.14 0.00 -1.05 0.00 0.00 32.46 29.86 3ihy n ARG 561 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3ihy s GLU 562 N -2.06 1.06 0.17 2.89 -6.30 -1.00 -5.02 118.70 108.43 3ihy s GLU 562 Ca 0.40 -1.60 -0.22 0.00 -2.50 0.00 0.00 54.97 51.04 3ihy s GLU 562 Cb 0.30 -2.26 -0.14 0.00 0.00 0.00 0.00 34.13 32.03 3ihy s GLU 562 CO -0.04 -1.07 0.40 0.43 0.02 0.00 0.00 175.26 175.00 3ihy n SER 563 N 4.15 -1.05 0.00 -1.70 7.64 -1.26 -4.75 113.62 116.66 3ihy n SER 563 Ca 0.04 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3ihy n SER 563 Cb 0.38 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3ihy n SER 563 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ihy n GLY 564 N 1.61 4.23 3.20 0.23 0.00 -1.26 -4.94 105.19 108.26 3ihy n GLY 564 Ca 0.14 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.22 -0.33 1.61 0.23 -1.26 -4.54 115.26 107.75 3ihy n ASN 565 Ca 0.00 -0.98 0.04 0.00 -0.53 0.00 0.00 54.58 53.11 3ihy n ASN 565 Cb 0.00 -0.96 0.22 0.00 -2.08 0.00 0.00 39.78 36.96 3ihy n ASN 565 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3ihy h ARG 566 N 0.00 1.03 -0.25 -3.83 2.43 -1.98 -1.55 114.38 110.23 3ihy h ARG 566 Ca -0.39 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.63 3ihy h ARG 566 Cb 1.25 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3ihy h ARG 566 CO 0.24 0.68 -0.25 -0.22 -1.51 0.00 0.00 179.97 178.92 3ihy h LYS 567 N 1.06 0.47 -0.04 0.20 3.64 -1.98 0.73 116.57 120.66 3ihy h LYS 567 Ca 0.42 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3ihy h LYS 567 Cb 0.24 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3ihy h LYS 567 CO -0.17 0.68 -0.09 0.87 -2.27 0.00 0.00 179.45 178.47 3ihy h LYS 568 N 0.42 0.12 -0.80 1.90 1.79 -1.75 0.03 116.57 118.28 3ihy h LYS 568 Ca 0.06 -0.09 0.11 0.00 -2.18 0.00 0.00 60.65 58.55 3ihy h LYS 568 Cb 0.66 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.24 3ihy h LYS 568 CO 0.05 0.69 0.43 0.87 -1.08 0.00 0.00 179.45 180.41 3ihy h LYS 569 N -0.42 0.67 -0.36 3.15 1.57 -1.08 0.42 116.57 120.51 3ihy h LYS 569 Ca -0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3ihy h LYS 569 Cb 0.70 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3ihy h LYS 569 CO 0.02 0.45 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.35 3ihy h ASN 570 N 0.70 0.71 -0.89 0.86 2.35 0.49 -0.79 115.58 119.00 3ihy h ASN 570 Ca 0.40 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3ihy h ASN 570 Cb 0.43 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3ihy h ASN 570 CO -0.28 0.90 0.57 -0.33 -1.65 0.00 0.00 177.43 176.65 3ihy h GLU 571 N 0.50 1.19 -0.16 0.81 5.08 -0.31 -2.54 114.58 119.14 3ihy h GLU 571 Ca 0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ihy h GLU 571 Cb 0.59 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3ihy h GLU 571 CO 0.04 0.80 0.05 -0.09 -1.00 0.00 0.00 179.01 178.80 3ihy h ARG 572 N 1.22 0.25 -0.77 2.33 9.65 0.10 -1.36 114.38 125.80 3ihy h ARG 572 Ca 0.32 -0.06 0.13 0.00 -1.10 0.00 0.00 59.98 59.28 3ihy h ARG 572 Cb -0.11 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.35 3ihy h ARG 572 CO -0.07 0.38 0.36 1.25 2.80 0.00 0.00 179.97 184.69 3ihy h LEU 573 N 0.08 0.41 -0.17 3.80 5.85 -0.83 -1.50 115.31 122.95 3ihy h LEU 573 Ca 0.05 0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.64 3ihy h LEU 573 Cb 0.23 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3ihy h LEU 573 CO -0.00 0.19 -0.95 1.56 -0.34 0.00 0.00 178.44 178.90 3ihy h GLN 574 N 0.55 0.37 -0.28 1.25 4.20 -1.39 -1.68 115.11 118.11 3ihy h GLN 574 Ca 0.41 -0.41 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3ihy h GLN 574 Cb 0.55 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 3ihy h GLN 574 CO -0.35 1.09 -0.10 0.00 -0.67 0.00 0.00 178.83 178.80 3ihy h ALA 575 N 0.76 0.14 -0.16 3.87 0.00 -0.29 -0.06 119.26 123.54 3ihy h ALA 575 Ca -0.08 0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3ihy h ALA 575 Cb 1.59 0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.66 3ihy h ALA 575 CO 0.16 -0.50 -0.75 -0.07 0.00 0.00 0.00 179.25 178.09 3ihy h LEU 576 N -0.05 0.93 -0.12 0.00 3.38 -1.27 -1.79 115.31 116.39 3ihy h LEU 576 Ca 0.14 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ihy h LEU 576 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ihy h LEU 576 CO -0.32 1.41 0.06 -0.07 0.09 0.00 0.00 178.44 179.60 3ihy h LEU 577 N 0.52 0.16 -1.24 1.67 3.38 -1.20 -2.06 115.31 116.53 3ihy h LEU 577 Ca -0.05 -0.12 0.29 0.00 0.09 0.00 0.00 57.88 58.09 3ihy h LEU 577 Cb 1.38 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 3ihy h LEU 577 CO 0.16 0.23 0.66 1.23 0.09 0.00 0.00 178.44 180.81 3ihy h GLY 578 N 0.07 1.50 -7.74 0.83 0.00 -0.92 -3.32 103.07 93.50 3ihy h GLY 578 Ca 0.04 -0.22 -0.69 0.00 0.00 0.00 0.00 47.33 46.46 3ihy h GLY 578 CO -0.01 -0.25 1.86 -0.35 0.00 0.00 0.00 176.54 177.80 3ihy s ASP 579 N -5.09 6.86 0.23 0.19 -1.08 -0.68 -4.82 116.67 112.28 3ihy s ASP 579 Ca -0.09 -2.49 -0.05 0.00 -0.52 0.00 0.00 52.55 49.40 3ihy s ASP 579 Cb 0.27 -2.52 0.23 0.00 -1.46 0.00 0.00 42.92 39.44 3ihy s ASP 579 CO 0.80 -1.08 1.73 -1.13 0.52 0.00 0.00 175.17 176.01 3ihy h ASN 580 N 7.71 0.91 -0.91 -0.34 -1.24 -1.81 -1.37 115.58 118.54 3ihy h ASN 580 Ca 0.38 -0.21 0.09 0.00 0.71 0.00 0.00 56.30 57.27 3ihy h ASN 580 Cb 0.89 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 39.63 3ihy h ASN 580 CO 1.39 0.93 0.58 -0.33 -1.29 0.00 0.00 177.43 178.71 3ihy h GLU 581 N 0.89 0.90 0.36 6.67 5.08 -1.95 0.16 114.58 126.69 3ihy h GLU 581 Ca 0.18 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3ihy h GLU 581 Cb 0.43 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ihy h GLU 581 CO 0.01 0.60 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.23 3ihy h LYS 582 N 0.93 -0.47 0.00 2.33 1.63 -1.77 -3.42 116.57 115.80 3ihy h LYS 582 Ca 0.42 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 3ihy h LYS 582 Cb 0.37 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3ihy h LYS 582 CO -0.18 -0.31 -1.37 -1.33 -3.45 0.00 0.00 179.45 172.81 3ihy n MET 583 N -4.64 0.99 -4.04 1.90 2.81 -0.58 -5.02 117.12 108.55 3ihy n MET 583 Ca -0.06 -0.09 -0.28 0.00 -1.81 0.00 0.00 57.70 55.46 3ihy n MET 583 Cb 0.19 -1.32 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 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 -1.81 -0.73 -0.05 7.83 4.13 0.55 -4.87 115.26 120.31 3ihy n ASN 584 Ca -0.01 -1.03 0.03 0.00 1.68 0.00 0.00 54.58 55.25 3ihy n ASN 584 Cb 0.35 -2.86 -0.03 0.00 -1.54 0.00 0.00 39.78 35.70 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 -4.42 0.54 -0.07 3.41 4.77 -1.26 -4.69 117.00 115.27 3ihy n LEU 585 Ca -0.24 -0.58 -0.16 0.00 -0.03 0.00 0.00 56.01 55.00 3ihy n LEU 585 Cb 0.65 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.62 3ihy n LEU 585 CO 0.78 0.12 0.18 0.28 -1.33 0.00 0.00 177.39 177.42 3ihy h SER 586 N 0.24 0.02 -3.22 -1.43 0.02 -1.75 0.22 113.55 107.65 3ihy h SER 586 Ca 0.00 -0.89 -0.46 0.00 -0.84 0.00 0.00 61.79 59.60 3ihy h SER 586 Cb 0.19 -0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.33 3ihy h SER 586 CO 0.00 1.12 -0.76 -1.81 -1.14 0.00 0.00 176.83 174.24 3ihy s ASP 587 N -6.38 2.12 0.30 3.07 1.01 -1.25 -3.48 116.67 112.06 3ihy s ASP 587 Ca -0.21 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.66 3ihy s ASP 587 Cb -0.01 -0.40 -0.05 0.00 1.01 0.00 0.00 42.92 43.47 3ihy s ASP 587 CO 0.67 -0.27 0.10 0.68 0.21 0.00 0.00 175.17 176.55 3ihy s VAL 588 N 2.00 0.71 0.07 -1.27 -7.23 0.36 -4.95 120.40 110.09 3ihy s VAL 588 Ca 0.02 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 3ihy s VAL 588 Cb -0.15 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 3ihy s VAL 588 CO -0.07 0.00 1.09 -1.61 -0.31 0.00 0.00 175.10 174.20 3ihy s GLU 589 N -3.94 4.53 -0.08 4.82 0.41 -1.26 -4.64 118.70 118.54 3ihy s GLU 589 Ca 0.36 1.62 -0.25 0.00 -0.41 0.00 0.00 54.97 56.29 3ihy s GLU 589 Cb 0.07 -3.37 -0.12 0.00 -1.78 0.00 0.00 34.13 28.93 3ihy s GLU 589 CO 0.15 -0.08 0.73 -0.11 -0.49 0.00 0.00 175.26 175.46 3ihy n LEU 590 N 3.52 0.20 -4.02 1.80 7.94 -1.26 -4.85 117.00 120.33 3ihy n LEU 590 Ca 0.06 0.71 -0.08 0.00 -1.11 0.00 0.00 56.01 55.59 3ihy n LEU 590 Cb 0.48 -0.55 -0.09 0.00 0.53 0.00 0.00 43.42 43.79 3ihy n LEU 590 CO 0.54 -0.98 -0.29 0.27 -1.11 0.00 0.00 177.39 175.82 3ihy s ILE 591 N 0.49 0.19 0.25 1.96 -4.36 0.10 -4.89 121.20 114.94 3ihy s ILE 591 Ca 0.57 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 59.12 3ihy s ILE 591 Cb -0.81 -1.35 -0.09 0.00 1.25 0.00 0.00 42.46 41.46 3ihy s ILE 591 CO 0.39 -0.85 1.26 -2.84 0.24 0.00 0.00 174.94 173.13 3ihy s PRO 592 N -3.64 4.44 -0.09 0.37 0.02 -1.26 0.56 135.00 135.39 3ihy s PRO 592 Ca 0.04 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 3ihy s PRO 592 Cb 0.05 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 3ihy s PRO 592 CO -0.09 -0.13 1.44 -1.17 -0.33 0.00 0.00 177.00 176.72 3ihy s LEU 593 N -0.84 4.26 0.47 -5.54 2.96 0.25 -4.85 118.68 115.39 3ihy s LEU 593 Ca 0.52 1.98 0.15 0.00 -0.22 0.00 0.00 54.13 56.56 3ihy s LEU 593 Cb -0.36 -3.54 1.13 0.00 0.50 0.00 0.00 46.19 43.92 3ihy s LEU 593 CO 0.43 -0.82 2.04 -0.65 -1.32 0.00 0.00 176.35 176.02 3ihy h PRO 594 N 8.68 0.25 -0.58 0.98 0.11 -1.93 -1.12 132.00 138.38 3ihy h PRO 594 Ca -0.33 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 3ihy h PRO 594 Cb 1.15 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3ihy h PRO 594 CO 0.95 0.17 -0.04 1.25 -0.21 0.00 0.00 178.00 180.12 3ihy h LEU 595 N 0.26 1.04 -6.39 2.35 5.85 -1.94 -3.38 115.31 113.10 3ihy h LEU 595 Ca 0.18 -0.32 -0.55 0.00 0.84 0.00 0.00 57.88 58.04 3ihy h LEU 595 Cb 0.40 -0.28 -0.37 0.00 0.37 0.00 0.00 40.66 40.78 3ihy h LEU 595 CO -0.04 1.11 -0.88 -0.70 -0.34 0.00 0.00 178.44 177.59 3ihy s GLU 596 N -4.97 0.75 0.42 1.25 2.12 -0.90 -4.79 118.70 112.59 3ihy s GLU 596 Ca -0.12 -1.65 0.14 0.00 0.36 0.00 0.00 54.97 53.70 3ihy s GLU 596 Cb 0.13 -1.25 1.01 0.00 0.26 0.00 0.00 34.13 34.29 3ihy s GLU 596 CO 0.86 -1.30 1.94 -1.35 -0.54 0.00 0.00 175.26 174.87 3ihy h PRO 597 N 6.27 0.43 -0.77 4.30 0.11 -1.42 0.16 132.00 141.08 3ihy h PRO 597 Ca 0.16 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.46 3ihy h PRO 597 Cb 0.95 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 3ihy h PRO 597 CO 0.30 0.29 0.55 1.96 -0.21 0.00 0.00 178.00 180.89 3ihy h GLN 598 N 0.45 0.04 -6.04 1.05 7.50 -1.96 -3.38 115.11 112.76 3ihy h GLN 598 Ca 0.33 -0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.92 3ihy h GLN 598 Cb 0.69 -0.01 -0.06 0.00 0.05 0.00 0.00 27.48 28.15 3ihy h GLN 598 CO -0.10 0.02 0.03 0.08 -1.50 0.00 0.00 178.83 177.36 3ihy s VAL 599 N -5.03 4.98 0.01 -0.54 1.01 0.56 -5.00 120.40 116.39 3ihy s VAL 599 Ca -0.05 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.30 3ihy s VAL 599 Cb 0.21 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3ihy s VAL 599 CO 0.76 0.33 -0.12 -0.54 0.00 0.00 0.00 175.10 175.53 3ihy s LYS 600 N 0.34 2.38 0.05 2.72 -0.14 -1.26 -0.58 119.74 123.25 3ihy s LYS 600 Ca 0.34 -0.81 0.03 0.00 -1.36 0.00 0.00 55.97 54.17 3ihy s LYS 600 Cb -0.18 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 3ihy s LYS 600 CO 0.17 0.58 -0.10 0.96 -0.76 0.00 0.00 175.35 176.21 3ihy s ILE 601 N -0.93 0.71 -0.40 2.17 -5.25 0.19 -1.40 121.20 116.29 3ihy s ILE 601 Ca 0.15 -1.15 0.19 0.00 -0.99 0.00 0.00 60.65 58.85 3ihy s ILE 601 Cb -0.11 -0.75 -0.26 0.00 2.95 0.00 0.00 42.46 44.30 3ihy s ILE 601 CO 0.06 -0.34 0.58 0.54 -1.79 0.00 0.00 174.94 173.99 3ihy n ARG 602 N 1.40 0.71 -1.60 0.37 1.74 -0.10 -0.72 116.66 118.46 3ihy n ARG 602 Ca -0.22 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 3ihy n ARG 602 Cb 0.54 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 1.42 -0.12 3.00 -0.13 0.00 -1.25 0.14 105.19 108.25 3ihy n GLY 603 Ca -0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.45 1.09 -0.30 -0.61 1.01 0.78 0.06 121.20 119.79 3ihy s ILE 604 Ca 0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 3ihy s ILE 604 Cb 0.00 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3ihy s ILE 604 CO 0.00 0.35 1.99 -0.63 0.00 0.00 0.00 174.94 176.65 3ihy s ILE 605 N 0.85 3.27 0.19 2.92 1.01 -0.40 -4.32 121.20 124.72 3ihy s ILE 605 Ca -0.11 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 3ihy s ILE 605 Cb -0.15 -3.38 0.11 0.00 0.01 0.00 0.00 42.46 39.04 3ihy s ILE 605 CO 0.02 -0.26 1.78 -0.65 0.00 0.00 0.00 174.94 175.83 3ihy h PRO 606 N 14.09 0.49 -0.07 2.79 0.11 -1.90 -3.27 132.00 144.24 3ihy h PRO 606 Ca -0.36 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.57 3ihy h PRO 606 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ihy h PRO 606 CO 1.02 0.32 -0.65 1.05 -0.21 0.00 0.00 178.00 179.53 3ihy h GLU 607 N 0.50 0.26 -0.67 1.05 9.09 -1.90 -3.25 114.58 119.67 3ihy h GLU 607 Ca 0.26 -0.20 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3ihy h GLU 607 Cb 0.22 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3ihy h GLU 607 CO -0.21 0.82 0.00 0.25 0.05 0.00 0.00 179.01 179.92 3ihy n THR 608 N -3.84 1.26 -3.58 -1.06 -2.24 -1.23 -4.89 114.28 98.69 3ihy n THR 608 Ca -0.03 -0.72 -0.36 0.00 -2.27 0.00 0.00 64.05 60.68 3ihy n THR 608 Cb 0.65 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.83 3.62 0.24 6.98 0.00 -1.23 -4.75 121.76 124.79 3ihy s ALA 609 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3ihy s ALA 609 Cb 0.21 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3ihy s ALA 609 CO 0.12 0.11 0.21 0.95 0.00 0.00 0.00 175.76 177.14 3ihy s THR 610 N 0.43 0.00 -0.17 0.00 -4.23 -1.15 -4.73 115.64 105.79 3ihy s THR 610 Ca 0.14 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.66 3ihy s THR 610 Cb -0.12 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 3ihy s THR 610 CO 0.02 0.00 0.01 -0.76 -0.54 0.00 0.00 174.62 173.35 3ihy s LEU 611 N -3.21 3.51 0.38 4.79 1.43 -1.26 -0.98 118.68 123.33 3ihy s LEU 611 Ca 0.38 -0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 3ihy s LEU 611 Cb 0.05 -1.87 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 3ihy s LEU 611 CO 0.16 0.17 1.46 -0.36 0.23 0.00 0.00 176.35 178.02 3ihy s PHE 612 N 0.37 2.63 0.59 0.29 0.08 -0.47 -4.91 117.98 116.57 3ihy s PHE 612 Ca -0.01 1.20 0.29 0.00 0.12 0.00 0.00 56.93 58.54 3ihy s PHE 612 Cb -0.13 -3.98 1.77 0.00 -0.57 0.00 0.00 43.02 40.10 3ihy s PHE 612 CO 0.02 -2.86 2.19 -0.22 -0.10 0.00 0.00 175.22 174.25 3ihy h LYS 613 N 3.00 0.00 -2.88 0.44 3.64 -1.99 -3.39 116.57 115.38 3ihy h LYS 613 Ca -0.51 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.54 3ihy h LYS 613 Cb 1.24 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 33.11 3ihy h LYS 613 CO 0.64 0.00 -0.20 0.45 -2.27 0.00 0.00 179.45 178.07 3ihy n SER 614 N -3.81 -0.49 -0.32 4.20 2.88 -1.26 -4.80 113.62 110.02 3ihy n SER 614 Ca -0.01 0.55 0.15 0.00 -1.33 0.00 0.00 58.87 58.22 3ihy n SER 614 Cb 0.18 -0.45 0.34 0.00 -0.75 0.00 0.00 64.21 63.52 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 0.66 1.57 0.00 -1.46 0.00 -2.02 0.14 119.26 118.15 3ihy h ALA 615 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ihy h ALA 615 Cb 0.69 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ihy h ALA 615 CO 0.28 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.48 3ihy n LEU 616 N -4.99 0.00 -3.97 0.00 4.77 -1.26 -4.96 117.00 106.59 3ihy n LEU 616 Ca 0.24 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.90 3ihy n LEU 616 Cb 0.70 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 3ihy n LEU 616 CO 0.14 -0.00 -0.19 0.23 -1.33 0.00 0.00 177.39 176.24 3ihy n MET 617 N -1.07 -0.71 -1.49 3.23 2.81 0.49 -4.84 117.12 115.54 3ihy n MET 617 Ca 0.21 0.32 -0.29 0.00 -1.81 0.00 0.00 57.70 56.13 3ihy n MET 617 Cb 0.14 -2.48 0.12 0.00 -0.71 0.00 0.00 33.22 30.29 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 -6.53 1.59 -0.11 0.03 0.05 -1.26 -4.82 135.00 123.94 3ihy s PRO 618 Ca 0.32 0.54 -0.01 0.00 0.05 0.00 0.00 61.00 61.90 3ihy s PRO 618 Cb -0.18 -1.87 -0.03 0.00 0.05 0.00 0.00 34.50 32.48 3ihy s PRO 618 CO 0.94 -1.94 -0.06 0.00 0.05 0.00 0.00 177.00 175.99 3ihy s ALA 619 N -3.16 2.95 -0.18 8.56 0.00 -0.16 -1.36 121.76 128.41 3ihy s ALA 619 Ca 0.62 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 3ihy s ALA 619 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3ihy s ALA 619 CO 0.54 0.41 0.43 -1.14 0.00 0.00 0.00 175.76 176.01 3ihy s GLN 620 N -0.27 4.22 -0.07 0.00 0.74 -0.15 -0.12 119.66 124.01 3ihy s GLN 620 Ca 0.04 0.30 -0.00 0.00 0.05 0.00 0.00 55.36 55.74 3ihy s GLN 620 Cb -0.13 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.50 3ihy s GLN 620 CO 0.02 0.00 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.22 3ihy s LEU 621 N 1.15 0.98 -0.46 3.68 1.43 -0.77 -2.94 118.68 121.76 3ihy s LEU 621 Ca 0.21 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 3ihy s LEU 621 Cb -0.15 -0.56 0.04 0.00 0.03 0.00 0.00 46.19 45.55 3ihy s LEU 621 CO 0.08 -0.13 0.52 -0.36 0.23 0.00 0.00 176.35 176.70 3ihy s PHE 622 N 1.57 3.12 0.13 0.29 0.40 -1.26 -1.31 117.98 120.92 3ihy s PHE 622 Ca -0.00 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.58 3ihy s PHE 622 Cb -0.13 -3.19 -0.06 0.00 0.51 0.00 0.00 43.02 40.15 3ihy s PHE 622 CO -0.04 -0.84 1.01 -0.06 0.70 0.00 0.00 175.22 175.99 3ihy s PHE 623 N 2.33 3.74 -0.38 0.36 0.40 -0.25 -1.28 117.98 122.91 3ihy s PHE 623 Ca 0.14 1.73 -0.28 0.00 -0.60 0.00 0.00 56.93 57.91 3ihy s PHE 623 Cb -0.18 -3.13 -0.01 0.00 0.51 0.00 0.00 43.02 40.21 3ihy s PHE 623 CO 0.13 -0.07 1.64 0.15 0.70 0.00 0.00 175.22 177.77 3ihy s LYS 624 N -0.11 3.39 0.56 0.44 1.02 0.11 -1.55 119.74 123.60 3ihy s LYS 624 Ca 0.48 1.16 -0.08 0.00 0.02 0.00 0.00 55.97 57.55 3ihy s LYS 624 Cb -0.25 -4.14 -0.03 0.00 -0.52 0.00 0.00 37.83 32.89 3ihy s LYS 624 CO 0.31 -1.80 0.92 0.95 -0.92 0.00 0.00 175.35 174.81 3ihy s THR 625 N 6.42 4.65 0.07 2.17 -4.23 -0.73 -0.92 115.64 123.08 3ihy s THR 625 Ca 0.71 0.49 -0.34 0.00 -1.18 0.00 0.00 61.69 61.36 3ihy s THR 625 Cb -0.18 -3.81 -0.18 0.00 1.34 0.00 0.00 72.50 69.66 3ihy s THR 625 CO 0.32 -0.93 1.60 -0.08 -0.54 0.00 0.00 174.62 174.99 3ihy h GLU 626 N -0.09 -0.97 -0.95 3.99 4.81 -1.55 -2.44 114.58 117.37 3ihy h GLU 626 Ca -0.45 0.07 0.37 0.00 -0.13 0.00 0.00 59.36 59.21 3ihy h GLU 626 Cb 1.21 0.22 -0.17 0.00 0.63 0.00 0.00 28.75 30.63 3ihy h GLU 626 CO 0.62 -0.65 0.39 -0.40 -0.73 0.00 0.00 179.01 178.24 3ihy n ASP 627 N -5.54 0.22 0.00 1.04 3.85 -1.26 -4.75 116.55 110.11 3ihy n ASP 627 Ca -0.14 1.59 0.00 0.00 -0.71 0.00 0.00 54.79 55.54 3ihy n ASP 627 Cb 0.43 -0.73 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 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 -1.31 0.61 0.00 6.12 0.00 -0.92 -5.15 105.19 104.55 3ihy n GLY 628 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -0.33 3.24 -0.02 0.00 -1.26 -4.82 105.19 102.00 3ihy n GLY 629 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3ihy n GLY 629 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ihy s LYS 630 N -0.06 0.37 -0.35 1.61 -2.85 -1.26 -1.77 119.74 115.44 3ihy s LYS 630 Ca 0.00 0.72 -0.12 0.00 -1.00 0.00 0.00 55.97 55.58 3ihy s LYS 630 Cb 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 3ihy s LYS 630 CO 0.00 -0.15 0.21 -0.47 0.10 0.00 0.00 175.35 175.04 3ihy s TYR 631 N 1.26 3.22 0.40 1.78 6.14 -0.60 -4.87 117.35 124.67 3ihy s TYR 631 Ca -0.09 -0.56 -0.11 0.00 0.64 0.00 0.00 57.07 56.96 3ihy s TYR 631 Cb -0.08 -2.44 -0.07 0.00 0.42 0.00 0.00 41.96 39.79 3ihy s TYR 631 CO -0.11 -0.49 0.77 -1.25 0.64 0.00 0.00 175.55 175.12 3ihy s PRO 632 N 1.64 3.81 0.07 4.97 0.04 -1.26 -1.09 135.00 143.18 3ihy s PRO 632 Ca 0.04 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 3ihy s PRO 632 Cb -0.18 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 31.99 3ihy s PRO 632 CO 0.08 -0.02 0.28 0.08 0.04 0.00 0.00 177.00 177.46 3ihy s VAL 633 N -2.34 0.10 -0.19 -0.36 1.01 -0.43 -3.24 120.40 114.95 3ihy s VAL 633 Ca 0.52 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3ihy s VAL 633 Cb -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3ihy s VAL 633 CO 0.30 -0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 174.26 3ihy s ILE 634 N -3.21 3.46 -0.20 2.22 1.01 0.20 -1.84 121.20 122.84 3ihy s ILE 634 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 3ihy s ILE 634 Cb 0.01 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 3ihy s ILE 634 CO -0.08 0.45 0.10 0.12 0.00 0.00 0.00 174.94 175.54 3ihy s PHE 635 N 1.09 3.33 -0.15 3.97 5.36 0.84 -1.41 117.98 131.01 3ihy s PHE 635 Ca 0.01 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.21 3ihy s PHE 635 Cb -0.15 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.41 3ihy s PHE 635 CO -0.00 0.20 -0.21 0.15 -1.46 0.00 0.00 175.22 173.90 3ihy s LYS 636 N 0.44 3.02 -0.05 10.12 1.02 0.13 -0.99 119.74 133.43 3ihy s LYS 636 Ca 0.06 -0.85 0.05 0.00 0.02 0.00 0.00 55.97 55.25 3ihy s LYS 636 Cb -0.12 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 3ihy s LYS 636 CO -0.00 -0.04 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.59 3ihy s HIS 637 N 0.87 2.10 -0.00 3.18 2.46 -1.26 -1.44 115.29 121.20 3ihy s HIS 637 Ca -0.05 -0.62 -0.00 0.00 0.47 0.00 0.00 55.06 54.86 3ihy s HIS 637 Cb -0.15 -1.39 0.00 0.00 -0.13 0.00 0.00 32.58 30.91 3ihy s HIS 637 CO -0.03 -0.19 0.00 0.41 -2.47 0.00 0.00 174.74 172.46 3ihy n GLY 638 N 3.04 0.93 3.56 1.59 0.00 0.20 -4.96 105.19 109.55 3ihy n GLY 638 Ca -0.18 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.00 -0.84 -0.33 1.61 2.15 -0.45 -5.02 116.67 110.78 3ihy s ASP 639 Ca 0.00 1.20 -0.24 0.00 0.43 0.00 0.00 52.55 53.94 3ihy s ASP 639 Cb -0.00 1.84 0.01 0.00 -0.30 0.00 0.00 42.92 44.46 3ihy s ASP 639 CO 0.00 -0.17 0.84 -0.62 -0.17 0.00 0.00 175.17 175.05 3ihy s ASP 640 N 2.41 6.66 0.00 -0.34 -1.08 -1.26 -3.23 116.67 119.83 3ihy s ASP 640 Ca -0.06 0.61 0.19 0.00 -0.52 0.00 0.00 52.55 52.78 3ihy s ASP 640 Cb -0.08 -2.43 0.55 0.00 -1.46 0.00 0.00 42.92 39.50 3ihy s ASP 640 CO -0.18 -0.71 1.44 0.18 0.52 0.00 0.00 175.17 176.42 3ihy n LEU 641 N 6.41 2.47 -0.08 -1.34 4.77 -1.26 -4.56 117.00 123.40 3ihy n LEU 641 Ca 0.05 -1.12 -0.02 0.00 -0.03 0.00 0.00 56.01 54.89 3ihy n LEU 641 Cb 0.48 -0.22 0.22 0.00 -2.33 0.00 0.00 43.42 41.57 3ihy n LEU 641 CO 0.53 0.56 0.94 0.03 -1.33 0.00 0.00 177.39 178.12 3ihy h ARG 642 N 3.04 0.72 -0.25 3.23 3.08 -1.92 0.21 114.38 122.50 3ihy h ARG 642 Ca 0.00 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3ihy h ARG 642 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3ihy h ARG 642 CO 0.00 0.70 0.02 0.37 -1.07 0.00 0.00 179.97 179.99 3ihy h GLN 643 N 0.69 0.42 -0.18 0.04 4.15 -1.87 -2.25 115.11 116.12 3ihy h GLN 643 Ca 0.15 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 3ihy h GLN 643 Cb 0.34 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3ihy h GLN 643 CO 0.01 0.57 -0.12 -0.44 -1.93 0.00 0.00 178.83 176.92 3ihy h ASP 644 N 0.22 0.27 -0.49 -0.69 5.19 -1.71 -2.33 116.42 116.87 3ihy h ASP 644 Ca 0.07 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 3ihy h ASP 644 Cb 0.37 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 3ihy h ASP 644 CO 0.01 0.42 0.26 -0.61 -3.12 0.00 0.00 179.24 176.20 3ihy h GLN 645 N 0.27 0.73 -0.00 3.56 4.15 -0.17 0.53 115.11 124.18 3ihy h GLN 645 Ca 0.05 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ihy h GLN 645 Cb 0.39 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3ihy h GLN 645 CO 0.02 0.56 -0.02 1.25 -1.93 0.00 0.00 178.83 178.71 3ihy h LEU 646 N 0.73 0.02 -0.16 -2.39 5.85 -0.96 -2.63 115.31 115.78 3ihy h LEU 646 Ca 0.19 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3ihy h LEU 646 Cb 0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3ihy h LEU 646 CO -0.03 0.70 0.08 0.40 -0.34 0.00 0.00 178.44 179.25 3ihy h ILE 647 N -0.66 1.12 -0.13 4.05 1.08 -1.18 0.11 117.51 121.91 3ihy h ILE 647 Ca -0.00 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 3ihy h ILE 647 Cb 0.70 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 3ihy h ILE 647 CO 0.00 0.11 0.09 -0.07 -0.69 0.00 0.00 178.15 177.60 3ihy h LEU 648 N 0.14 0.07 -0.21 1.44 -0.00 -1.00 0.18 115.31 115.93 3ihy h LEU 648 Ca 0.06 -0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.76 3ihy h LEU 648 Cb 0.11 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 3ihy h LEU 648 CO -0.01 0.05 -0.81 0.06 -0.00 0.00 0.00 178.44 177.73 3ihy h GLN 649 N 0.08 0.00 -0.15 1.13 3.07 -0.80 -0.83 115.11 117.61 3ihy h GLN 649 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.58 3ihy h GLN 649 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.70 3ihy h GLN 649 CO -0.01 0.81 -0.77 0.82 0.09 0.00 0.00 178.83 179.78 3ihy h ILE 650 N 0.00 1.29 -0.65 1.86 1.08 0.02 -1.64 117.51 119.46 3ihy h ILE 650 Ca -0.01 -1.99 0.01 0.00 -0.39 0.00 0.00 64.86 62.48 3ihy h ILE 650 Cb 1.52 1.98 -0.03 0.00 -3.07 0.00 0.00 36.82 37.22 3ihy h ILE 650 CO 0.11 0.63 0.43 0.40 -0.69 0.00 0.00 178.15 179.03 3ihy h ILE 651 N 0.51 1.17 -0.10 -0.67 2.04 -0.67 -0.18 117.51 119.60 3ihy h ILE 651 Ca -0.05 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3ihy h ILE 651 Cb 1.39 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3ihy h ILE 651 CO 0.16 0.16 -0.20 -1.28 0.00 0.00 0.00 178.15 176.98 3ihy h SER 652 N 0.89 0.35 -0.40 1.72 0.87 -1.08 -1.09 113.55 114.81 3ihy h SER 652 Ca 0.24 -0.56 0.08 0.00 -1.23 0.00 0.00 61.79 60.32 3ihy h SER 652 Cb -0.10 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 61.68 3ihy h SER 652 CO -0.05 0.85 -0.11 0.25 -0.53 0.00 0.00 176.83 177.23 3ihy h LEU 653 N -0.13 -0.41 -0.68 2.23 5.85 -1.16 -1.42 115.31 119.59 3ihy h LEU 653 Ca 0.00 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 3ihy h LEU 653 Cb 0.79 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3ihy h LEU 653 CO 0.05 -0.15 0.06 0.24 -0.34 0.00 0.00 178.44 178.30 3ihy h MET 654 N -0.02 1.09 -0.61 1.25 2.86 -0.90 0.18 114.93 118.77 3ihy h MET 654 Ca 0.19 -0.31 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3ihy h MET 654 Cb 0.31 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3ihy h MET 654 CO -0.42 1.02 0.36 0.22 1.06 0.00 0.00 176.91 179.15 3ihy h ASP 655 N 1.01 0.57 0.18 1.22 3.58 -1.04 -0.33 116.42 121.60 3ihy h ASP 655 Ca 0.19 0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.51 3ihy h ASP 655 Cb 0.49 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 3ihy h ASP 655 CO 0.02 0.39 -0.52 0.11 -2.88 0.00 0.00 179.24 176.37 3ihy h LYS 656 N 0.70 0.38 -0.04 0.28 1.57 -0.43 -0.10 116.57 118.94 3ihy h LYS 656 Ca 0.25 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3ihy h LYS 656 Cb 0.07 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3ihy h LYS 656 CO -0.12 0.81 0.01 -0.07 -0.57 0.00 0.00 179.45 179.51 3ihy h LEU 657 N 0.30 0.05 -0.53 2.94 3.38 -0.38 0.42 115.31 121.49 3ihy h LEU 657 Ca 0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3ihy h LEU 657 Cb 1.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3ihy h LEU 657 CO 0.09 0.22 0.20 -0.07 0.09 0.00 0.00 178.44 178.98 3ihy h LEU 658 N -0.12 0.73 -1.05 1.67 3.38 -1.00 -2.16 115.31 116.76 3ihy h LEU 658 Ca 0.01 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3ihy h LEU 658 Cb 0.19 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3ihy h LEU 658 CO -0.00 0.71 0.63 0.03 0.09 0.00 0.00 178.44 179.90 3ihy h ARG 659 N 0.72 1.09 -0.70 1.13 3.08 -0.93 -1.42 114.38 117.34 3ihy h ARG 659 Ca 0.18 -0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.30 3ihy h ARG 659 Cb 0.21 -0.25 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 3ihy h ARG 659 CO -0.01 0.72 0.23 0.87 -1.07 0.00 0.00 179.97 180.70 3ihy h LYS 660 N 1.12 0.35 -0.79 0.04 1.79 -0.24 0.23 116.57 119.07 3ihy h LYS 660 Ca 0.43 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 3ihy h LYS 660 Cb 0.21 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3ihy h LYS 660 CO -0.18 0.23 0.00 0.39 -1.08 0.00 0.00 179.45 178.81 3ihy n GLU 661 N -5.07 1.50 -0.98 3.15 -0.58 -0.82 -4.86 120.64 112.99 3ihy n GLU 661 Ca 0.13 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 3ihy n GLU 661 Cb 0.39 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.04 -3.49 -4.32 1.62 5.15 0.79 -4.97 115.26 110.08 3ihy n ASN 662 Ca 0.04 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.56 3ihy n ASN 662 Cb 0.33 -1.47 -0.04 0.00 -0.53 0.00 0.00 39.78 38.07 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 0.00 6.40 -0.68 1.20 2.96 -0.60 -4.97 118.68 123.00 3ihy s LEU 663 Ca 0.00 -2.13 -0.20 0.00 -0.22 0.00 0.00 54.13 51.58 3ihy s LEU 663 Cb 0.00 -2.21 0.10 0.00 0.50 0.00 0.00 46.19 44.58 3ihy s LEU 663 CO 0.00 -0.75 0.88 -0.62 -1.32 0.00 0.00 176.35 174.54 3ihy s ASP 664 N 3.05 6.27 -0.10 3.68 -1.08 -1.26 -3.06 116.67 124.17 3ihy s ASP 664 Ca 0.09 -1.39 0.05 0.00 -0.52 0.00 0.00 52.55 50.78 3ihy s ASP 664 Cb -0.22 -2.36 0.33 0.00 -1.46 0.00 0.00 42.92 39.20 3ihy s ASP 664 CO -0.02 -1.23 1.02 0.18 0.52 0.00 0.00 175.17 175.64 3ihy n LEU 665 N 6.85 2.97 -3.66 -1.34 4.77 -1.26 -4.88 117.00 120.46 3ihy n LEU 665 Ca -0.01 -1.50 -0.27 0.00 -0.03 0.00 0.00 56.01 54.19 3ihy n LEU 665 Cb 0.45 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3ihy n LEU 665 CO 0.59 0.41 0.12 0.29 -1.33 0.00 0.00 177.39 177.47 3ihy n LYS 666 N 0.24 -5.90 -1.29 3.23 4.76 -1.26 -2.98 118.16 114.95 3ihy n LYS 666 Ca 0.12 0.69 -0.29 0.00 -2.87 0.00 0.00 58.31 55.95 3ihy n LYS 666 Cb 0.65 -5.61 0.14 0.00 -1.84 0.00 0.00 35.03 28.36 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 -7.14 2.16 -0.48 -0.35 1.43 -1.26 -4.69 118.68 108.36 3ihy s LEU 667 Ca 0.57 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 55.08 3ihy s LEU 667 Cb -0.28 -3.74 0.23 0.00 0.03 0.00 0.00 46.19 42.43 3ihy s LEU 667 CO 0.71 -2.61 0.54 0.41 0.23 0.00 0.00 176.35 175.63 3ihy n THR 668 N -3.85 0.13 -2.13 5.49 -1.04 -1.26 -5.03 114.28 106.60 3ihy n THR 668 Ca 0.07 -4.26 -0.40 0.00 -2.04 0.00 0.00 64.05 57.42 3ihy n THR 668 Cb 0.56 -1.95 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 3ihy n THR 668 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ihy n PRO 669 N 1.60 2.63 -2.22 -2.82 -0.04 -1.26 -4.95 135.00 127.93 3ihy n PRO 669 Ca 0.25 -2.81 -0.37 0.00 -0.04 0.00 0.00 63.50 60.53 3ihy n PRO 669 Cb 0.48 -3.43 -0.00 0.00 -0.04 0.00 0.00 33.50 30.50 3ihy n PRO 669 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3ihy s TYR 670 N 5.39 2.80 0.43 0.54 -0.85 -1.26 -4.92 117.35 119.48 3ihy s TYR 670 Ca 0.56 1.53 -0.23 0.00 -0.52 0.00 0.00 57.07 58.40 3ihy s TYR 670 Cb 0.07 -3.40 -0.08 0.00 0.38 0.00 0.00 41.96 38.92 3ihy s TYR 670 CO 0.06 -1.62 1.08 0.15 -1.52 0.00 0.00 175.55 173.69 3ihy s LYS 671 N -2.80 3.99 -0.14 -3.49 -0.14 -1.26 -4.86 119.74 111.02 3ihy s LYS 671 Ca 0.66 1.56 -0.05 0.00 -1.36 0.00 0.00 55.97 56.77 3ihy s LYS 671 Cb -0.29 -2.43 0.07 0.00 -1.68 0.00 0.00 37.83 33.50 3ihy s LYS 671 CO 0.34 -0.31 0.30 0.08 -0.76 0.00 0.00 175.35 175.01 3ihy s VAL 672 N -1.68 -0.42 -0.09 3.17 1.01 -1.26 -0.57 120.40 120.56 3ihy s VAL 672 Ca 0.61 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 3ihy s VAL 672 Cb -0.23 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.68 3ihy s VAL 672 CO 0.28 0.10 -0.03 -0.22 0.00 0.00 0.00 175.10 175.23 3ihy s LEU 673 N 2.31 0.85 0.13 3.92 2.96 -0.70 -4.82 118.68 123.32 3ihy s LEU 673 Ca -0.01 -0.18 -0.31 0.00 -0.22 0.00 0.00 54.13 53.41 3ihy s LEU 673 Cb -0.12 -0.61 -0.10 0.00 0.50 0.00 0.00 46.19 45.86 3ihy s LEU 673 CO -0.10 -0.16 1.80 0.00 -1.32 0.00 0.00 176.35 176.57 3ihy s ALA 674 N 1.86 3.77 -1.47 5.97 0.00 -1.26 -1.13 121.76 129.49 3ihy s ALA 674 Ca 0.05 1.44 0.22 0.00 0.00 0.00 0.00 51.96 53.66 3ihy s ALA 674 Cb -0.12 -3.75 -0.13 0.00 0.00 0.00 0.00 23.12 19.12 3ihy s ALA 674 CO -0.07 -1.18 0.99 0.25 0.00 0.00 0.00 175.76 175.75 3ihy n THR 675 N 4.66 0.00 -3.84 0.00 -2.24 -0.61 -4.85 114.28 107.40 3ihy n THR 675 Ca 0.17 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 3ihy n THR 675 Cb 0.38 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 3ihy n THR 675 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ihy s SER 676 N -2.76 -0.03 0.00 3.42 0.15 -0.97 -4.78 113.70 108.72 3ihy s SER 676 Ca 0.13 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 56.60 3ihy s SER 676 Cb 0.17 0.34 1.13 0.00 -1.71 0.00 0.00 66.02 65.95 3ihy s SER 676 CO 0.73 -0.67 1.77 0.35 1.20 0.00 0.00 173.24 176.62 3ihy n THR 677 N -0.68 0.30 0.02 6.45 -2.24 -1.26 -3.56 114.28 113.31 3ihy n THR 677 Ca -0.03 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3ihy n THR 677 Cb 0.60 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3ihy n THR 677 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ihy n LYS 678 N -1.35 3.45 -3.65 -0.78 5.02 -1.26 -3.99 118.16 115.61 3ihy n LYS 678 Ca 0.09 -0.23 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 3ihy n LYS 678 Cb 0.21 -0.73 -0.02 0.00 -0.02 0.00 0.00 35.03 34.47 3ihy n LYS 678 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3ihy s HIS 679 N -0.60 -0.33 0.00 2.13 -3.43 -1.20 0.62 115.29 112.48 3ihy s HIS 679 Ca 0.00 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 3ihy s HIS 679 Cb 0.00 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 3ihy s HIS 679 CO 0.01 -0.98 0.00 0.41 -2.00 0.00 0.00 174.74 172.18 3ihy n GLY 680 N -0.41 0.92 3.97 -1.38 0.00 -0.52 -1.57 105.19 106.20 3ihy n GLY 680 Ca -0.10 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 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 3.23 -0.28 1.61 0.08 -0.29 -0.70 117.98 119.64 3ihy s PHE 681 Ca 0.00 -0.14 -0.19 0.00 0.12 0.00 0.00 56.93 56.72 3ihy s PHE 681 Cb 0.00 -1.79 0.09 0.00 -0.57 0.00 0.00 43.02 40.75 3ihy s PHE 681 CO 0.00 0.20 0.77 1.41 -0.10 0.00 0.00 175.22 177.50 3ihy s MET 682 N -4.07 0.67 0.05 0.44 -2.45 -0.50 -1.72 119.30 111.71 3ihy s MET 682 Ca 0.40 1.03 -0.31 0.00 -1.25 0.00 0.00 55.69 55.57 3ihy s MET 682 Cb -0.09 0.20 -0.06 0.00 1.25 0.00 0.00 34.83 36.13 3ihy s MET 682 CO 0.30 -0.12 1.29 -1.14 1.05 0.00 0.00 175.02 176.40 3ihy s GLN 683 N 1.19 4.36 -0.02 4.11 0.74 0.26 0.61 119.66 130.92 3ihy s GLN 683 Ca -0.07 1.88 -0.27 0.00 0.05 0.00 0.00 55.36 56.96 3ihy s GLN 683 Cb -0.05 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 3ihy s GLN 683 CO -0.13 -0.40 0.86 0.12 -0.55 0.00 0.00 175.29 175.19 3ihy s PHE 684 N 1.50 3.64 -0.22 1.67 5.36 -1.20 -4.74 117.98 123.98 3ihy s PHE 684 Ca 0.61 1.52 0.02 0.00 -0.96 0.00 0.00 56.93 58.12 3ihy s PHE 684 Cb -0.31 -2.98 0.04 0.00 -0.34 0.00 0.00 43.02 39.42 3ihy s PHE 684 CO 0.28 0.05 -0.15 0.42 -1.46 0.00 0.00 175.22 174.36 3ihy s ILE 685 N 0.85 2.14 -0.32 3.12 -1.09 -1.26 -4.81 121.20 119.84 3ihy s ILE 685 Ca 0.46 -1.30 -0.36 0.00 -2.23 0.00 0.00 60.65 57.21 3ihy s ILE 685 Cb -0.20 -2.09 -0.12 0.00 -1.58 0.00 0.00 42.46 38.47 3ihy s ILE 685 CO 0.24 0.24 2.10 1.67 -1.23 0.00 0.00 174.94 177.95 3ihy n GLN 686 N 4.52 1.17 -2.09 2.79 7.27 -1.26 -4.86 117.38 124.93 3ihy n GLN 686 Ca -0.17 0.35 -0.04 0.00 0.07 0.00 0.00 57.00 57.21 3ihy n GLN 686 Cb 0.46 -2.41 -0.00 0.00 2.41 0.00 0.00 30.24 30.70 3ihy n GLN 686 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3ihy n SER 687 N 8.87 -0.56 -3.70 1.69 3.41 -1.26 -4.76 113.62 117.30 3ihy n SER 687 Ca 0.38 -1.54 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 3ihy n SER 687 Cb 0.22 0.98 -0.12 0.00 -0.26 0.00 0.00 64.21 65.03 3ihy n SER 687 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ihy s VAL 688 N -2.64 -0.18 0.51 -3.33 1.01 -0.17 -4.93 120.40 110.67 3ihy s VAL 688 Ca 0.07 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 3ihy s VAL 688 Cb -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 3ihy s VAL 688 CO 0.05 0.07 1.24 -2.84 0.00 0.00 0.00 175.10 173.62 3ihy s PRO 689 N 1.70 3.39 0.44 2.72 0.02 -1.26 -1.62 135.00 140.38 3ihy s PRO 689 Ca -0.06 1.96 0.13 0.00 0.02 0.00 0.00 61.00 63.04 3ihy s PRO 689 Cb -0.10 -2.27 0.98 0.00 0.02 0.00 0.00 34.50 33.13 3ihy s PRO 689 CO -0.10 -0.90 2.00 0.28 -0.33 0.00 0.00 177.00 177.95 3ihy h VAL 690 N 1.54 1.12 -0.55 3.83 2.07 -1.34 0.99 116.25 123.90 3ihy h VAL 690 Ca -0.50 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 66.56 3ihy h VAL 690 Cb 1.28 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 3ihy h VAL 690 CO 0.58 0.16 0.23 0.00 0.02 0.00 0.00 177.57 178.56 3ihy h ALA 691 N 1.80 0.70 -0.06 1.67 0.00 -0.96 -1.15 119.26 121.26 3ihy h ALA 691 Ca 0.02 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 3ihy h ALA 691 Cb 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ihy h ALA 691 CO 0.02 -0.16 -0.80 1.49 0.00 0.00 0.00 179.25 179.79 3ihy h GLU 692 N 0.43 0.42 0.16 0.00 4.81 -1.13 -2.33 114.58 116.93 3ihy h GLU 692 Ca 0.27 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3ihy h GLU 692 Cb 0.27 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3ihy h GLU 692 CO -0.25 1.03 -0.19 0.28 -0.73 0.00 0.00 179.01 179.15 3ihy h VAL 693 N 0.27 0.57 -0.69 0.32 2.07 -0.80 0.12 116.25 118.12 3ihy h VAL 693 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 3ihy h VAL 693 Cb 1.40 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3ihy h VAL 693 CO 0.14 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.97 3ihy h LEU 694 N -0.40 0.36 -0.56 2.57 4.07 -1.23 0.79 115.31 120.92 3ihy h LEU 694 Ca 0.01 0.07 -0.14 0.00 0.08 0.00 0.00 57.88 57.91 3ihy h LEU 694 Cb 0.39 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 3ihy h LEU 694 CO -0.07 0.20 -0.33 -0.78 -1.08 0.00 0.00 178.44 176.39 3ihy h ASP 695 N 0.52 0.84 0.11 -0.43 3.58 -0.92 -0.48 116.42 119.65 3ihy h ASP 695 Ca 0.35 -0.35 -0.37 0.00 0.42 0.00 0.00 57.03 57.08 3ihy h ASP 695 Cb 0.41 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 3ihy h ASP 695 CO -0.30 1.09 -2.08 0.35 -2.88 0.00 0.00 179.24 175.42 3ihy n THR 696 N -4.07 1.73 0.15 2.25 -2.24 0.38 -4.56 114.28 107.92 3ihy n THR 696 Ca -0.01 -0.64 0.06 0.00 -2.27 0.00 0.00 64.05 61.18 3ihy n THR 696 Cb 0.50 -1.67 -0.08 0.00 -2.10 0.00 0.00 70.33 66.98 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 -3.44 1.18 0.00 -0.78 -0.58 0.27 -5.03 120.64 112.26 3ihy n GLU 697 Ca -0.34 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 3ihy n GLU 697 Cb 1.04 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 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 1.67 2.92 3.48 0.62 0.00 -0.19 -4.72 105.19 108.98 3ihy n GLY 698 Ca -0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 0.56 -0.51 0.28 1.61 1.04 -1.26 -4.74 113.70 110.67 3ihy s SER 699 Ca 0.00 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3ihy s SER 699 Cb 0.00 0.50 0.60 0.00 0.10 0.00 0.00 66.02 67.22 3ihy s SER 699 CO 0.00 -0.74 1.80 0.40 0.98 0.00 0.00 173.24 175.67 3ihy h ILE 700 N 2.26 0.80 -0.37 -1.02 2.04 -1.91 -0.31 117.51 119.00 3ihy h ILE 700 Ca -0.28 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.16 3ihy h ILE 700 Cb 1.24 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3ihy h ILE 700 CO 0.36 0.15 -0.35 1.56 0.00 0.00 0.00 178.15 179.86 3ihy h GLN 701 N 0.81 0.86 -0.23 2.37 4.20 -1.87 -1.53 115.11 119.71 3ihy h GLN 701 Ca 0.51 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.83 3ihy h GLN 701 Cb 0.65 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 3ihy h GLN 701 CO -0.33 1.07 0.00 -0.91 -0.67 0.00 0.00 178.83 178.00 3ihy h ASN 702 N 0.71 -0.08 0.09 1.46 2.35 -1.55 0.37 115.58 118.93 3ihy h ASN 702 Ca 0.07 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3ihy h ASN 702 Cb 0.92 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.33 3ihy h ASN 702 CO 0.08 -0.01 -0.47 0.15 -1.65 0.00 0.00 177.43 175.53 3ihy h PHE 703 N 0.08 -1.34 -1.00 1.19 3.57 -0.89 -0.40 116.94 118.13 3ihy h PHE 703 Ca 0.11 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3ihy h PHE 703 Cb 0.14 0.58 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 3ihy h PHE 703 CO -0.19 -0.55 0.65 0.74 -2.23 0.00 0.00 178.31 176.73 3ihy h PHE 704 N -0.68 1.21 0.00 0.41 0.04 -1.12 -1.78 116.94 115.02 3ihy h PHE 704 Ca 0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3ihy h PHE 704 Cb 0.71 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3ihy h PHE 704 CO -0.42 0.65 -0.20 -0.09 -0.60 0.00 0.00 178.31 177.65 3ihy h ARG 705 N 1.21 0.00 0.20 1.51 2.43 0.17 0.69 114.38 120.58 3ihy h ARG 705 Ca 0.42 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.31 3ihy h ARG 705 Cb 0.12 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3ihy h ARG 705 CO -0.16 0.20 -1.29 -0.22 -1.51 0.00 0.00 179.97 176.99 3ihy h LYS 706 N 0.00 0.42 -0.01 0.20 3.64 -0.43 -3.29 116.57 117.11 3ihy h LYS 706 Ca -0.00 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 3ihy h LYS 706 Cb 0.38 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3ihy h LYS 706 CO 0.03 1.34 -0.74 0.66 -2.27 0.00 0.00 179.45 178.47 3ihy n TYR 707 N -3.86 0.00 -2.68 1.91 4.02 -0.73 -4.66 117.16 111.15 3ihy n TYR 707 Ca -0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.64 3ihy n TYR 707 Cb 0.99 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.39 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 -0.81 2.16 -1.09 -0.72 0.00 0.22 -5.07 120.51 115.21 3ihy n ALA 708 Ca 0.06 -2.05 -0.30 0.00 0.00 0.00 0.00 53.44 51.15 3ihy n ALA 708 Cb 0.38 -0.97 0.14 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.19 1.39 -0.30 0.00 0.04 -1.24 -1.43 135.00 132.27 3ihy s PRO 709 Ca 0.24 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.29 3ihy s PRO 709 Cb 0.42 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 33.35 3ihy s PRO 709 CO -0.04 -2.22 0.82 0.45 0.04 0.00 0.00 177.00 176.06 3ihy s SER 710 N -3.23 -0.99 0.23 6.66 0.15 0.24 -4.07 113.70 112.70 3ihy s SER 710 Ca 0.64 0.31 -0.15 0.00 0.70 0.00 0.00 55.95 57.45 3ihy s SER 710 Cb -0.19 1.70 0.28 0.00 -1.71 0.00 0.00 66.02 66.11 3ihy s SER 710 CO 0.57 -0.18 1.49 1.21 1.20 0.00 0.00 173.24 177.53 3ihy n GLU 711 N 5.35 -0.19 -0.11 5.44 4.07 -1.26 -1.09 120.64 132.85 3ihy n GLU 711 Ca 0.02 1.48 0.08 0.00 -0.06 0.00 0.00 57.16 58.69 3ihy n GLU 711 Cb 0.54 -2.20 0.29 0.00 -0.06 0.00 0.00 31.44 30.01 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 -5.45 1.60 -4.95 4.31 3.02 -1.26 -4.73 115.26 107.81 3ihy n ASN 712 Ca 0.11 -1.81 -0.24 0.00 -0.03 0.00 0.00 54.58 52.61 3ihy n ASN 712 Cb 0.41 -0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 3ihy n ASN 712 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ihy s GLY 713 N -1.34 1.71 0.09 7.41 0.00 -0.25 -4.99 107.32 109.95 3ihy s GLY 713 Ca 0.28 -1.04 -0.31 0.00 0.00 0.00 0.00 44.72 43.65 3ihy s GLY 713 CO 0.21 -0.73 1.79 2.56 0.00 0.00 0.00 173.10 176.93 3ihy s PRO 714 N -4.94 4.16 -1.64 2.90 0.04 -1.19 -2.13 135.00 132.19 3ihy s PRO 714 Ca 0.56 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.12 3ihy s PRO 714 Cb -0.10 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.77 3ihy s PRO 714 CO 0.42 -0.82 0.00 0.09 0.04 0.00 0.00 177.00 176.72 3ihy n ASN 715 N 5.89 -4.32 0.00 6.66 4.13 -1.26 -1.28 115.26 125.08 3ihy n ASN 715 Ca 0.17 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.77 3ihy n ASN 715 Cb 0.39 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.76 3ihy n ASN 715 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ihy n GLY 716 N -0.41 0.67 3.42 7.41 0.00 -0.91 -4.96 105.19 110.43 3ihy n GLY 716 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.49 3.42 -0.14 -0.61 1.01 -0.40 0.82 121.20 122.80 3ihy s ILE 717 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 3ihy s ILE 717 Cb 0.00 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.94 3ihy s ILE 717 CO 0.00 0.51 0.48 -0.24 0.00 0.00 0.00 174.94 175.68 3ihy n SER 718 N 3.55 0.35 0.27 3.58 2.88 -0.52 -3.20 113.62 120.53 3ihy n SER 718 Ca -0.18 0.36 0.13 0.00 -1.33 0.00 0.00 58.87 57.85 3ihy n SER 718 Cb 0.53 -0.27 0.76 0.00 -0.75 0.00 0.00 64.21 64.47 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 1.48 1.40 -0.05 -1.46 0.00 -1.92 -1.13 119.26 117.58 3ihy h ALA 719 Ca -0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3ihy h ALA 719 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ihy h ALA 719 CO 0.29 0.11 -0.12 1.49 0.00 0.00 0.00 179.25 181.03 3ihy h GLU 720 N 0.00 0.17 -0.27 0.00 4.81 -1.97 0.28 114.58 117.60 3ihy h GLU 720 Ca -0.00 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3ihy h GLU 720 Cb 0.24 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3ihy h GLU 720 CO 0.01 0.71 0.06 0.28 -0.73 0.00 0.00 179.01 179.35 3ihy h VAL 721 N -0.34 0.89 -0.69 0.32 2.07 -1.63 0.13 116.25 116.99 3ihy h VAL 721 Ca -0.00 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3ihy h VAL 721 Cb 0.72 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3ihy h VAL 721 CO 0.03 0.03 0.14 -0.03 0.02 0.00 0.00 177.57 177.76 3ihy h MET 722 N 0.17 1.12 -0.18 1.57 1.85 -1.21 0.10 114.93 118.35 3ihy h MET 722 Ca 0.12 -0.29 -0.00 0.00 -0.61 0.00 0.00 59.70 58.93 3ihy h MET 722 Cb 0.12 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 3ihy h MET 722 CO -0.15 1.01 0.11 0.22 -0.40 0.00 0.00 176.91 177.69 3ihy h ASP 723 N 1.06 0.22 -0.61 1.39 3.58 -0.21 -0.39 116.42 121.46 3ihy h ASP 723 Ca 0.21 -0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.68 3ihy h ASP 723 Cb 0.41 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.34 3ihy h ASP 723 CO 0.01 0.22 0.26 0.74 -2.88 0.00 0.00 179.24 177.59 3ihy h THR 724 N 0.20 0.82 -0.12 2.25 2.02 -0.38 -2.08 112.91 115.62 3ihy h THR 724 Ca 0.06 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3ihy h THR 724 Cb 0.05 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3ihy h THR 724 CO -0.01 0.08 0.04 0.22 0.37 0.00 0.00 175.52 176.22 3ihy h TYR 725 N 0.46 0.20 0.06 3.16 5.03 -0.37 -1.67 116.97 123.85 3ihy h TYR 725 Ca 0.30 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.60 3ihy h TYR 725 Cb 0.33 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 3ihy h TYR 725 CO -0.14 0.33 -0.13 0.28 -1.32 0.00 0.00 178.16 177.18 3ihy h VAL 726 N 0.01 0.70 -0.30 1.81 2.07 -0.94 0.38 116.25 119.98 3ihy h VAL 726 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3ihy h VAL 726 Cb 0.23 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3ihy h VAL 726 CO -0.00 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.61 3ihy h LYS 727 N -0.25 -0.02 -0.04 1.57 1.57 -1.39 -1.74 116.57 116.27 3ihy h LYS 727 Ca 0.02 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 3ihy h LYS 727 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3ihy h LYS 727 CO -0.08 -0.01 -0.72 0.66 -0.57 0.00 0.00 179.45 178.73 3ihy h SER 728 N -0.02 0.27 0.06 0.86 4.64 -1.09 0.28 113.55 118.55 3ihy h SER 728 Ca 0.15 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3ihy h SER 728 Cb 0.24 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3ihy h SER 728 CO -0.32 0.90 -0.10 0.00 -0.87 0.00 0.00 176.83 176.44 3ihy h ALA 730 N 0.72 1.26 0.58 0.00 0.00 -0.96 -1.56 119.26 119.30 3ihy h ALA 730 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3ihy h ALA 730 Cb 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ihy h ALA 730 CO -0.06 0.52 -0.33 0.78 0.00 0.00 0.00 179.25 180.16 3ihy h GLY 731 N 0.95 -0.99 1.88 0.00 0.00 -0.83 -2.51 103.07 101.56 3ihy h GLY 731 Ca 0.18 0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.92 3ihy h GLY 731 CO -0.01 -0.34 0.05 -0.97 0.00 0.00 0.00 176.54 175.27 3ihy h TYR 732 N -0.84 0.00 -0.14 5.60 0.05 -1.33 -1.72 116.97 118.59 3ihy h TYR 732 Ca -0.08 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 3ihy h TYR 732 Cb 0.67 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.40 3ihy h TYR 732 CO -0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 178.16 177.05 3ihy h VAL 734 N -0.04 1.27 -0.10 0.00 2.07 -0.93 -1.41 116.25 117.10 3ihy h VAL 734 Ca 0.03 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3ihy h VAL 734 Cb 0.51 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3ihy h VAL 734 CO 0.02 0.41 -0.02 0.40 0.02 0.00 0.00 177.57 178.40 3ihy h ILE 735 N 0.80 1.28 0.00 4.57 2.04 -1.14 -1.63 117.51 123.43 3ihy h ILE 735 Ca 0.14 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 3ihy h ILE 735 Cb 0.58 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3ihy h ILE 735 CO 0.03 0.26 -0.38 0.71 0.00 0.00 0.00 178.15 178.77 3ihy h THR 736 N -0.13 1.16 -0.90 -0.27 1.35 -0.50 -1.36 112.91 112.26 3ihy h THR 736 Ca 0.03 -1.37 -0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3ihy h THR 736 Cb 0.42 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 68.55 3ihy h THR 736 CO 0.01 0.38 0.56 0.22 -0.25 0.00 0.00 175.52 176.43 3ihy h TYR 737 N 0.00 1.17 0.03 4.73 3.20 -1.05 0.21 116.97 125.26 3ihy h TYR 737 Ca -0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ihy h TYR 737 Cb 0.73 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3ihy h TYR 737 CO 0.00 0.76 -0.02 0.82 -1.64 0.00 0.00 178.16 178.09 3ihy h ILE 738 N 1.23 1.36 0.00 1.81 2.04 -0.62 -3.13 117.51 120.19 3ihy h ILE 738 Ca 0.32 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3ihy h ILE 738 Cb -0.08 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3ihy h ILE 738 CO -0.06 0.40 0.00 0.18 0.00 0.00 0.00 178.15 178.67 3ihy n LEU 739 N -4.75 0.02 -3.03 1.44 4.77 -0.58 -4.69 117.00 110.20 3ihy n LEU 739 Ca -0.08 0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 3ihy n LEU 739 Cb 0.34 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3ihy n LEU 739 CO 0.30 -0.20 0.08 0.61 -1.33 0.00 0.00 177.39 176.85 3ihy n GLY 740 N 0.34 -0.30 3.70 -0.72 0.00 0.66 -0.81 105.19 108.05 3ihy n GLY 740 Ca 0.04 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.30 4.35 0.30 1.61 1.01 -0.65 -1.42 120.40 122.28 3ihy s VAL 741 Ca 0.05 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.74 3ihy s VAL 741 Cb -0.01 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3ihy s VAL 741 CO 0.61 0.05 0.36 0.61 0.00 0.00 0.00 175.10 176.73 3ihy n GLY 742 N 3.23 2.20 3.41 4.51 0.00 0.31 -4.83 105.19 114.03 3ihy n GLY 742 Ca 0.09 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.46 -4.46 -3.23 1.61 2.03 -1.26 -4.67 116.55 104.12 3ihy n ASP 743 Ca 0.06 -0.73 -0.39 0.00 0.52 0.00 0.00 54.79 54.25 3ihy n ASP 743 Cb 0.31 -4.85 0.02 0.00 -0.72 0.00 0.00 41.12 35.89 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 -3.73 4.06 -1.62 -0.67 3.00 -1.26 -4.93 116.66 111.52 3ihy n ARG 744 Ca -0.17 -4.19 -0.30 0.00 -0.01 0.00 0.00 57.85 53.18 3ihy n ARG 744 Cb 0.64 -2.36 0.07 0.00 0.00 0.00 0.00 32.46 30.81 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 -4.13 2.99 -2.00 -1.55 -3.43 -1.26 -4.93 115.29 100.98 3ihy s HIS 745 Ca 0.46 1.19 0.03 0.00 -0.80 0.00 0.00 55.06 55.94 3ihy s HIS 745 Cb 0.31 -3.05 0.21 0.00 -1.43 0.00 0.00 32.58 28.61 3ihy s HIS 745 CO -0.26 -1.54 0.57 1.28 -2.00 0.00 0.00 174.74 172.80 3ihy n LEU 746 N -3.28 0.00 -0.29 5.38 4.77 -1.26 -1.45 117.00 120.87 3ihy n LEU 746 Ca 0.07 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 3ihy n LEU 746 Cb 0.56 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.71 3ihy n LEU 746 CO 0.57 0.00 0.30 0.47 -1.33 0.00 0.00 177.39 177.39 3ihy n ASP 747 N -0.66 1.47 -0.00 -1.43 8.00 -1.26 -0.36 116.55 122.30 3ihy n ASP 747 Ca 0.03 -1.17 0.09 0.00 0.71 0.00 0.00 54.79 54.45 3ihy n ASP 747 Cb 0.01 0.52 -0.13 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 -0.62 0.75 -4.68 -2.24 3.02 -0.53 -4.85 115.26 106.11 3ihy n ASN 748 Ca 0.08 -0.62 -0.38 0.00 -0.03 0.00 0.00 54.58 53.63 3ihy n ASN 748 Cb 0.40 1.32 -0.07 0.00 -0.61 0.00 0.00 39.78 40.82 3ihy n ASN 748 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ihy s LEU 749 N -3.42 4.18 0.15 3.41 1.02 -1.24 -0.57 118.68 122.20 3ihy s LEU 749 Ca 0.02 0.53 0.09 0.00 0.02 0.00 0.00 54.13 54.79 3ihy s LEU 749 Cb 0.14 -2.50 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 3ihy s LEU 749 CO 0.81 -0.04 -0.20 -0.76 0.02 0.00 0.00 176.35 176.17 3ihy s LEU 750 N 1.14 2.39 -0.02 1.79 1.02 0.08 -1.95 118.68 123.13 3ihy s LEU 750 Ca 0.19 -0.80 0.01 0.00 0.02 0.00 0.00 54.13 53.54 3ihy s LEU 750 Cb -0.14 -0.92 0.02 0.00 0.02 0.00 0.00 46.19 45.17 3ihy s LEU 750 CO 0.07 0.03 -0.01 -0.22 0.02 0.00 0.00 176.35 176.24 3ihy s LEU 751 N -2.40 1.40 0.30 1.79 2.96 -0.64 -0.84 118.68 121.25 3ihy s LEU 751 Ca 0.13 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 3ihy s LEU 751 Cb -0.08 -0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 3ihy s LEU 751 CO 0.06 -0.06 0.27 0.42 -1.32 0.00 0.00 176.35 175.72 3ihy s THR 752 N 0.72 3.94 -0.69 3.68 -4.23 0.52 -1.00 115.64 118.58 3ihy s THR 752 Ca -0.07 -1.35 0.22 0.00 -1.18 0.00 0.00 61.69 59.30 3ihy s THR 752 Cb -0.11 -3.29 0.22 0.00 1.34 0.00 0.00 72.50 70.66 3ihy s THR 752 CO -0.01 -0.24 1.67 0.29 -0.54 0.00 0.00 174.62 175.79 3ihy n LYS 753 N -1.32 0.14 -0.00 3.99 5.02 -1.26 -1.70 118.16 123.03 3ihy n LYS 753 Ca -0.04 0.32 0.14 0.00 -2.02 0.00 0.00 58.31 56.71 3ihy n LYS 753 Cb 0.59 -1.74 0.62 0.00 -0.02 0.00 0.00 35.03 34.48 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 -1.99 0.01 0.00 -0.18 -2.24 -1.26 -4.82 114.28 103.79 3ihy n THR 754 Ca 0.03 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3ihy n THR 754 Cb 0.25 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.13 0.31 3.68 3.38 0.00 -0.69 -4.27 105.19 108.74 3ihy n GLY 755 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.90 4.25 -0.13 1.61 1.02 -1.25 -2.28 119.74 122.06 3ihy s LYS 756 Ca 0.00 2.07 -0.03 0.00 0.02 0.00 0.00 55.97 58.03 3ihy s LYS 756 Cb 0.00 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 3ihy s LYS 756 CO 0.00 -0.65 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.59 3ihy s LEU 757 N 2.65 3.36 0.09 3.17 0.20 -1.26 -0.36 118.68 126.53 3ihy s LEU 757 Ca 0.67 -0.03 -0.06 0.00 0.69 0.00 0.00 54.13 55.39 3ihy s LEU 757 Cb -0.33 -1.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 3ihy s LEU 757 CO 0.28 0.24 0.14 0.72 -0.29 0.00 0.00 176.35 177.44 3ihy s PHE 758 N -0.07 0.34 -0.07 5.38 -0.71 -0.02 -4.63 117.98 118.20 3ihy s PHE 758 Ca 0.02 -0.79 -0.13 0.00 -1.04 0.00 0.00 56.93 55.00 3ihy s PHE 758 Cb -0.13 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.45 3ihy s PHE 758 CO 0.02 -0.53 0.32 -1.01 -1.34 0.00 0.00 175.22 172.69 3ihy s HIS 759 N -3.91 3.63 0.33 3.49 3.76 -1.26 -0.74 115.29 120.59 3ihy s HIS 759 Ca 0.09 0.79 0.09 0.00 -0.15 0.00 0.00 55.06 55.88 3ihy s HIS 759 Cb 0.06 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 3ihy s HIS 759 CO -0.08 0.55 0.05 0.96 -0.85 0.00 0.00 174.74 175.37 3ihy s ILE 760 N -0.61 2.81 -0.07 0.60 -4.36 0.27 -4.98 121.20 114.85 3ihy s ILE 760 Ca 0.20 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.70 3ihy s ILE 760 Cb -0.15 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.72 3ihy s ILE 760 CO 0.09 -0.21 0.02 -0.67 0.24 0.00 0.00 174.94 174.41 3ihy n ASP 761 N -1.01 -2.96 -2.69 4.36 -0.08 -1.26 -4.81 116.55 108.10 3ihy n ASP 761 Ca -0.04 0.37 -0.30 0.00 -1.51 0.00 0.00 54.79 53.31 3ihy n ASP 761 Cb 0.62 -2.13 0.00 0.00 2.34 0.00 0.00 41.12 41.94 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 0.26 3.43 0.49 -0.67 3.72 -1.26 -4.70 117.46 118.73 3ihy n PHE 762 Ca -0.03 -3.12 0.10 0.00 -0.05 0.00 0.00 57.45 54.34 3ihy n PHE 762 Cb 0.05 -0.39 0.41 0.00 -0.94 0.00 0.00 39.48 38.62 3ihy n PHE 762 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ihy n GLY 763 N -0.43 -1.18 2.85 1.37 0.00 -1.26 -4.51 105.19 102.03 3ihy n GLY 763 Ca 0.40 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 3ihy n GLY 763 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ihy s TYR 764 N -3.14 1.25 0.19 1.61 2.02 -1.26 -4.97 117.35 113.04 3ihy s TYR 764 Ca 0.06 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3ihy s TYR 764 Cb 0.10 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 3ihy s TYR 764 CO 0.35 -0.49 0.13 0.96 -1.57 0.00 0.00 175.55 174.93 3ihy s ILE 765 N 1.79 0.02 -1.60 2.71 -4.36 -1.26 -0.53 121.20 117.98 3ihy s ILE 765 Ca 0.04 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3ihy s ILE 765 Cb -0.13 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.19 3ihy s ILE 765 CO -0.07 -0.10 0.00 0.18 0.24 0.00 0.00 174.94 175.19 3ihy n LEU 766 N -0.24 -1.77 0.00 0.37 4.77 0.01 -2.91 117.00 117.24 3ihy n LEU 766 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ihy n LEU 766 Cb 0.65 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 3ihy n LEU 766 CO 0.32 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3ihy n GLY 767 N -0.99 0.14 3.77 -0.72 0.00 -0.61 -4.99 105.19 101.80 3ihy n GLY 767 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3ihy n GLY 767 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihy s ARG 768 N -0.91 3.15 -0.12 1.61 0.52 -1.15 -4.96 118.95 117.10 3ihy s ARG 768 Ca 0.00 1.58 -0.26 0.00 -0.52 0.00 0.00 55.73 56.53 3ihy s ARG 768 Cb 0.00 -1.98 0.06 0.00 0.52 0.00 0.00 34.95 33.55 3ihy s ARG 768 CO 0.00 -1.00 0.63 0.34 0.02 0.00 0.00 175.30 175.29 3ihy s ASP 769 N -1.97 -0.62 0.51 0.23 2.15 -1.26 -3.91 116.67 111.81 3ihy s ASP 769 Ca 0.72 0.87 0.34 0.00 0.43 0.00 0.00 52.55 54.91 3ihy s ASP 769 Cb -0.24 0.81 1.55 0.00 -0.30 0.00 0.00 42.92 44.74 3ihy s ASP 769 CO 0.32 -0.45 2.01 1.55 -0.17 0.00 0.00 175.17 178.42 3ihy h PRO 770 N 3.88 0.00 -6.20 4.34 0.13 -1.97 -3.44 132.00 128.75 3ihy h PRO 770 Ca -0.28 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 3ihy h PRO 770 Cb 1.15 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 3ihy h PRO 770 CO 0.28 0.00 -0.55 0.15 -0.23 0.00 0.00 178.00 177.65 3ihy s LYS 771 N -3.71 2.83 0.54 0.86 1.02 -1.26 -5.12 119.74 114.89 3ihy s LYS 771 Ca -0.00 -1.07 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 3ihy s LYS 771 Cb 0.10 -2.52 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 3ihy s LYS 771 CO 0.46 0.41 0.84 -1.25 -0.92 0.00 0.00 175.35 174.89 3ihy s PRO 772 N -3.66 3.13 -0.56 -1.68 0.04 -1.26 -4.42 135.00 126.60 3ihy s PRO 772 Ca 0.32 0.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 3ihy s PRO 772 Cb -0.08 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.15 3ihy s PRO 772 CO 0.24 -0.49 0.55 1.28 0.04 0.00 0.00 177.00 178.62 3ihy n LEU 773 N -2.42 -1.84 -4.76 -3.56 4.77 -1.26 -4.94 117.00 102.98 3ihy n LEU 773 Ca 0.03 -0.50 -0.40 0.00 -0.03 0.00 0.00 56.01 55.11 3ihy n LEU 773 Cb 0.57 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 3ihy n LEU 773 CO 0.52 0.19 0.76 -2.16 -1.33 0.00 0.00 177.39 175.37 3ihy s PRO 774 N -3.36 4.60 0.64 3.23 0.04 -1.26 -5.05 135.00 133.84 3ihy s PRO 774 Ca 0.17 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 3ihy s PRO 774 Cb -0.02 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 3ihy s PRO 774 CO 0.77 0.20 1.17 -1.25 0.04 0.00 0.00 177.00 177.93 3ihy s PRO 775 N -1.57 2.74 0.17 0.56 0.04 -1.26 -4.90 135.00 130.78 3ihy s PRO 775 Ca 0.46 1.64 0.23 0.00 0.04 0.00 0.00 61.00 63.37 3ihy s PRO 775 Cb -0.30 -1.92 0.89 0.00 0.04 0.00 0.00 34.50 33.22 3ihy s PRO 775 CO 0.38 -1.34 1.69 -0.35 0.04 0.00 0.00 177.00 177.42 3ihy n PRO 776 N -2.12 0.15 -3.93 0.56 -0.04 -1.26 -4.59 135.00 123.77 3ihy n PRO 776 Ca 0.12 0.31 -0.27 0.00 -0.04 0.00 0.00 63.50 63.62 3ihy n PRO 776 Cb 0.51 -1.75 -0.17 0.00 -0.04 0.00 0.00 33.50 32.05 3ihy n PRO 776 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3ihy s MET 777 N -3.18 1.68 -1.19 0.54 -2.45 -1.26 -4.73 119.30 108.70 3ihy s MET 777 Ca 0.07 -0.32 -0.08 0.00 -1.25 0.00 0.00 55.69 54.11 3ihy s MET 777 Cb 0.11 -1.69 0.22 0.00 1.25 0.00 0.00 34.83 34.72 3ihy s MET 777 CO 0.42 -0.26 1.64 1.63 1.05 0.00 0.00 175.02 179.50 3ihy n LYS 778 N 4.90 3.88 -1.77 4.11 4.76 -1.26 -4.95 118.16 127.83 3ihy n LYS 778 Ca -0.13 -3.97 -0.13 0.00 -2.87 0.00 0.00 58.31 51.20 3ihy n LYS 778 Cb 0.50 -2.77 0.07 0.00 -1.84 0.00 0.00 35.03 30.99 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 3.11 0.00 -3.49 -0.35 4.77 -1.26 -5.00 117.00 114.78 3ihy n LEU 779 Ca 0.34 -1.23 0.02 0.00 -0.03 0.00 0.00 56.01 55.10 3ihy n LEU 779 Cb 0.36 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3ihy n LEU 779 CO 0.74 -0.77 0.87 0.21 -1.33 0.00 0.00 177.39 177.12 3ihy s ASN 780 N -3.32 -0.21 0.13 -1.43 3.84 -1.26 -5.08 114.94 107.61 3ihy s ASN 780 Ca 0.38 0.31 -0.26 0.00 0.21 0.00 0.00 52.86 53.50 3ihy s ASN 780 Cb -0.02 1.15 -0.06 0.00 -0.55 0.00 0.00 41.25 41.77 3ihy s ASN 780 CO 0.25 -0.05 1.37 0.29 -2.79 0.00 0.00 177.10 176.17 3ihy n LYS 781 N 3.83 -0.37 0.29 0.43 5.02 -1.26 -1.49 118.16 124.61 3ihy n LYS 781 Ca -0.13 1.34 0.19 0.00 -2.02 0.00 0.00 58.31 57.69 3ihy n LYS 781 Cb 0.56 -1.98 0.93 0.00 -0.02 0.00 0.00 35.03 34.53 3ihy n LYS 781 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3ihy h GLU 782 N 0.00 0.00 -0.04 1.97 9.09 -1.98 0.02 114.58 123.64 3ihy h GLU 782 Ca 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.51 3ihy h GLU 782 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3ihy h GLU 782 CO -0.78 0.00 -0.10 1.98 0.05 0.00 0.00 179.01 180.16 3ihy h MET 783 N 0.00 0.13 -0.25 1.06 4.05 -1.69 -1.93 114.93 116.29 3ihy h MET 783 Ca 0.00 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 3ihy h MET 783 Cb 0.21 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 3ihy h MET 783 CO 0.00 0.71 -0.14 0.28 0.23 0.00 0.00 176.91 177.99 3ihy h VAL 784 N -0.42 1.22 -0.05 -5.77 2.07 -1.10 -2.89 116.25 109.30 3ihy h VAL 784 Ca -0.00 -0.99 -0.15 0.00 0.82 0.00 0.00 66.70 66.37 3ihy h VAL 784 Cb 0.71 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3ihy h VAL 784 CO 0.02 0.32 -0.64 -0.33 0.02 0.00 0.00 177.57 176.96 3ihy h GLU 785 N 0.40 0.21 -0.55 1.57 5.08 -1.08 -2.01 114.58 118.19 3ihy h GLU 785 Ca 0.07 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3ihy h GLU 785 Cb 0.48 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3ihy h GLU 785 CO 0.03 0.78 0.36 0.78 -1.00 0.00 0.00 179.01 179.96 3ihy h GLY 786 N 1.56 0.75 2.00 -3.84 0.00 -1.15 -1.57 103.07 100.81 3ihy h GLY 786 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3ihy h GLY 786 CO 0.10 0.26 0.00 1.03 0.00 0.00 0.00 176.54 177.92 3ihy n MET 787 N -4.46 0.09 0.00 4.80 2.81 -1.11 -4.74 117.12 114.51 3ihy n MET 787 Ca 0.06 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 3ihy n MET 787 Cb 0.08 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 3ihy n MET 787 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ihy n GLY 788 N 0.17 0.59 0.00 3.03 0.00 -0.59 -4.31 105.19 104.09 3ihy n GLY 788 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.31 2.16 0.00 -0.02 0.00 -0.77 -4.47 105.19 100.78 3ihy n GLY 789 Ca 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.01 3ihy n GLY 789 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ihy n THR 790 N 0.53 1.59 0.13 2.61 -2.24 -1.26 -1.70 114.28 113.93 3ihy n THR 790 Ca 0.00 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 3ihy n THR 790 Cb 0.00 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 3ihy n THR 790 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ihy n GLN 791 N -1.48 0.59 -0.87 -0.78 1.13 -1.26 -4.91 117.38 109.79 3ihy n GLN 791 Ca 0.01 0.11 -0.31 0.00 -1.94 0.00 0.00 57.00 54.88 3ihy n GLN 791 Cb 0.06 -1.81 0.14 0.00 0.11 0.00 0.00 30.24 28.74 3ihy n GLN 791 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3ihy s SER 792 N -5.28 3.42 0.39 1.08 1.04 -0.69 -4.95 113.70 108.71 3ihy s SER 792 Ca -0.00 2.08 0.24 0.00 0.48 0.00 0.00 55.95 58.74 3ihy s SER 792 Cb 0.10 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 64.10 3ihy s SER 792 CO 0.79 -2.77 1.65 -0.08 0.98 0.00 0.00 173.24 173.81 3ihy h GLU 793 N -1.64 0.00 -0.34 4.02 4.81 -1.89 -3.21 114.58 116.33 3ihy h GLU 793 Ca -0.43 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 3ihy h GLU 793 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3ihy h GLU 793 CO 0.45 0.00 -0.05 1.96 -0.73 0.00 0.00 179.01 180.64 3ihy h GLN 794 N 0.00 0.62 -0.42 1.92 7.50 -1.92 -1.59 115.11 121.21 3ihy h GLN 794 Ca 0.00 -0.22 0.03 0.00 0.50 0.00 0.00 58.65 58.96 3ihy h GLN 794 Cb 0.94 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.41 3ihy h GLN 794 CO 0.00 0.78 0.28 -0.92 -1.50 0.00 0.00 178.83 177.47 3ihy h TYR 795 N 0.41 0.44 -0.03 2.96 3.20 -1.74 0.28 116.97 122.50 3ihy h TYR 795 Ca 0.09 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3ihy h TYR 795 Cb 0.53 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3ihy h TYR 795 CO 0.04 0.26 -0.21 1.96 -1.64 0.00 0.00 178.16 178.57 3ihy h GLN 796 N 0.46 0.19 -0.96 1.82 1.08 -1.56 -2.31 115.11 113.84 3ihy h GLN 796 Ca 0.17 -0.17 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 3ihy h GLN 796 Cb 0.11 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.50 3ihy h GLN 796 CO -0.04 0.85 0.61 1.49 -0.95 0.00 0.00 178.83 180.78 3ihy h GLU 797 N -0.41 0.84 0.40 1.46 4.57 -0.86 0.18 114.58 120.76 3ihy h GLU 797 Ca -0.02 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3ihy h GLU 797 Cb 0.90 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3ihy h GLU 797 CO 0.04 0.56 -0.27 0.35 -1.18 0.00 0.00 179.01 178.51 3ihy h PHE 798 N 0.87 -0.70 -0.72 0.92 3.57 -0.43 0.32 116.94 120.77 3ihy h PHE 798 Ca 0.48 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.05 3ihy h PHE 798 Cb 0.60 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 3ihy h PHE 798 CO -0.00 -0.41 0.39 0.00 -2.23 0.00 0.00 178.31 176.06 3ihy h ARG 799 N -0.65 0.68 -0.27 1.11 3.08 -0.71 -1.57 114.38 116.05 3ihy h ARG 799 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3ihy h ARG 799 Cb 0.54 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3ihy h ARG 799 CO 0.03 0.45 0.09 -0.22 -1.07 0.00 0.00 179.97 179.24 3ihy h LYS 800 N 0.70 0.42 -0.93 0.04 3.64 -0.50 -2.72 116.57 117.23 3ihy h LYS 800 Ca 0.34 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3ihy h LYS 800 Cb 0.27 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3ihy h LYS 800 CO -0.22 0.48 0.61 1.96 -2.27 0.00 0.00 179.45 180.02 3ihy h GLN 801 N 0.28 1.18 -0.70 1.90 1.08 -0.41 -1.46 115.11 116.97 3ihy h GLN 801 Ca 0.09 -0.07 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 3ihy h GLN 801 Cb 0.24 -0.27 -0.10 0.00 -0.05 0.00 0.00 27.48 27.30 3ihy h GLN 801 CO -0.00 0.78 0.22 0.00 -0.95 0.00 0.00 178.83 178.87 3ihy h TYR 803 N 0.34 -0.20 -0.54 0.00 0.05 -0.98 -0.86 116.97 114.78 3ihy h TYR 803 Ca 0.38 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.20 3ihy h TYR 803 Cb 0.59 0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.36 3ihy h TYR 803 CO -0.21 0.01 0.30 1.15 -1.05 0.00 0.00 178.16 178.35 3ihy h THR 804 N -0.38 1.00 -0.02 -2.88 2.02 -1.02 -0.89 112.91 110.73 3ihy h THR 804 Ca -0.02 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 66.97 3ihy h THR 804 Cb 0.30 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3ihy h THR 804 CO 0.04 0.11 -0.01 0.00 0.37 0.00 0.00 175.52 176.02 3ihy h ALA 805 N 1.27 0.01 -0.60 6.16 0.00 -0.75 -0.98 119.26 124.36 3ihy h ALA 805 Ca 0.23 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.26 3ihy h ALA 805 Cb 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 3ihy h ALA 805 CO -0.14 -0.50 0.13 0.35 0.00 0.00 0.00 179.25 179.10 3ihy h PHE 806 N -0.01 0.21 -0.14 0.00 3.57 -0.70 -0.53 116.94 119.34 3ihy h PHE 806 Ca 0.01 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.34 3ihy h PHE 806 Cb 0.03 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.77 3ihy h PHE 806 CO -0.10 -0.02 -0.75 -0.07 -2.23 0.00 0.00 178.31 175.14 3ihy h LEU 807 N 0.27 0.82 -0.44 0.59 3.38 -0.89 -1.15 115.31 117.89 3ihy h LEU 807 Ca 0.31 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3ihy h LEU 807 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ihy h LEU 807 CO -0.40 1.31 0.21 0.45 0.09 0.00 0.00 178.44 180.11 3ihy h HIS 808 N 0.48 0.63 -0.29 1.13 3.86 -0.89 -2.98 115.15 117.09 3ihy h HIS 808 Ca -0.04 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 3ihy h HIS 808 Cb 1.36 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 3ihy h HIS 808 CO 0.07 0.51 -0.30 -0.07 0.86 0.00 0.00 177.93 179.01 3ihy h LEU 809 N 0.57 0.62 -1.59 2.43 3.38 -1.00 -2.35 115.31 117.37 3ihy h LEU 809 Ca 0.15 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 809 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3ihy h LEU 809 CO -0.02 0.88 0.44 0.03 0.09 0.00 0.00 178.44 179.86 3ihy h ARG 810 N 0.52 0.44 0.00 1.13 3.08 -1.13 -1.62 114.38 116.80 3ihy h ARG 810 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ihy h ARG 810 Cb 0.77 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3ihy h ARG 810 CO 0.06 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 3ihy h ARG 811 N 0.45 0.00 -0.37 0.04 3.08 -1.26 -2.42 114.38 113.90 3ihy h ARG 811 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3ihy h ARG 811 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3ihy h ARG 811 CO -0.09 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.47 3ihy n TYR 812 N -2.50 1.06 -0.34 3.04 4.01 -0.62 -4.63 117.16 117.16 3ihy n TYR 812 Ca 0.02 -0.74 0.17 0.00 -0.16 0.00 0.00 57.90 57.20 3ihy n TYR 812 Cb 0.29 -0.27 0.39 0.00 -0.31 0.00 0.00 39.34 39.45 3ihy n TYR 812 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ihy h SER 813 N 2.45 0.67 0.17 7.72 4.64 -1.28 0.00 113.55 127.92 3ihy h SER 813 Ca 0.00 0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.46 3ihy h SER 813 Cb 1.36 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 3ihy h SER 813 CO 0.21 0.13 -0.23 0.78 -0.87 0.00 0.00 176.83 176.84 3ihy h ASN 814 N 0.59 -0.65 0.55 4.97 4.21 -1.84 0.46 115.58 123.88 3ihy h ASN 814 Ca 0.63 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 58.19 3ihy h ASN 814 Cb 1.20 0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 38.64 3ihy h ASN 814 CO -0.44 -0.33 -0.32 0.25 -1.29 0.00 0.00 177.43 175.30 3ihy h LEU 815 N -0.46 -0.78 -0.68 1.61 5.85 -1.57 0.05 115.31 119.33 3ihy h LEU 815 Ca 0.01 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3ihy h LEU 815 Cb 0.46 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3ihy h LEU 815 CO -0.10 -0.51 0.45 0.40 -0.34 0.00 0.00 178.44 178.34 3ihy h ILE 816 N -0.82 1.16 -0.23 4.05 2.04 -0.87 -0.64 117.51 122.20 3ihy h ILE 816 Ca -0.07 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 3ihy h ILE 816 Cb 0.65 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3ihy h ILE 816 CO 0.08 0.17 -0.37 -0.07 0.00 0.00 0.00 178.15 177.96 3ihy h LEU 817 N 0.91 0.73 -0.79 1.44 3.38 -0.84 -1.72 115.31 118.43 3ihy h LEU 817 Ca 0.26 -0.52 0.12 0.00 0.09 0.00 0.00 57.88 57.83 3ihy h LEU 817 Cb -0.09 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.37 3ihy h LEU 817 CO -0.06 1.11 0.39 0.78 0.09 0.00 0.00 178.44 180.75 3ihy h ASN 818 N 0.37 0.47 -0.25 -0.43 2.35 -0.25 0.14 115.58 117.98 3ihy h ASN 818 Ca 0.02 0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3ihy h ASN 818 Cb 0.96 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 3ihy h ASN 818 CO 0.08 0.23 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.98 3ihy h LEU 819 N 0.60 0.47 -1.11 1.61 3.38 -0.97 -2.58 115.31 116.70 3ihy h LEU 819 Ca 0.41 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3ihy h LEU 819 Cb 0.54 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3ihy h LEU 819 CO -0.33 0.70 0.61 -0.26 0.09 0.00 0.00 178.44 179.25 3ihy h PHE 820 N 0.22 1.12 -0.98 1.13 0.04 -0.86 -2.42 116.94 115.20 3ihy h PHE 820 Ca 0.07 0.03 0.18 0.00 2.80 0.00 0.00 57.97 61.04 3ihy h PHE 820 Cb 0.49 -0.38 -0.09 0.00 2.20 0.00 0.00 35.95 38.17 3ihy h PHE 820 CO 0.05 0.65 0.61 0.77 -0.60 0.00 0.00 178.31 179.79 3ihy h SER 821 N 1.16 0.72 0.00 2.17 0.02 -0.36 0.46 113.55 117.73 3ihy h SER 821 Ca 0.36 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3ihy h SER 821 Cb 0.01 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3ihy h SER 821 CO -0.11 0.30 0.00 0.18 -1.14 0.00 0.00 176.83 176.06 3ihy n LEU 822 N -4.67 0.00 -0.19 5.07 4.77 -0.91 -2.91 117.00 118.16 3ihy n LEU 822 Ca 0.21 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.24 3ihy n LEU 822 Cb 0.55 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3ihy n LEU 822 CO 0.25 0.00 0.17 0.80 -1.33 0.00 0.00 177.39 177.28 3ihy n MET 823 N -0.91 2.41 -0.32 3.23 1.56 0.15 -4.52 117.12 118.72 3ihy n MET 823 Ca 0.14 -0.49 0.12 0.00 -0.27 0.00 0.00 57.70 57.20 3ihy n MET 823 Cb 0.06 -1.07 0.29 0.00 2.15 0.00 0.00 33.22 34.66 3ihy n MET 823 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 3ihy h VAL 824 N 0.92 0.62 -2.75 1.12 -1.51 -1.52 -3.04 116.25 110.09 3ihy h VAL 824 Ca 0.00 -0.20 -0.77 0.00 -1.23 0.00 0.00 66.70 64.50 3ihy h VAL 824 Cb 0.33 -0.01 -0.30 0.00 -2.13 0.00 0.00 31.29 29.17 3ihy h VAL 824 CO 0.00 0.11 0.55 0.47 -1.23 0.00 0.00 177.57 177.47 3ihy n ASP 825 N -4.90 6.02 -4.06 4.19 9.92 -1.26 -4.70 116.55 121.76 3ihy n ASP 825 Ca 0.21 -3.44 -0.16 0.00 -0.53 0.00 0.00 54.79 50.87 3ihy n ASP 825 Cb 0.57 -1.16 -0.13 0.00 -0.64 0.00 0.00 41.12 39.77 3ihy n ASP 825 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ihy s ALA 826 N -2.84 0.74 -1.07 2.24 0.00 -1.15 -5.03 121.76 114.65 3ihy s ALA 826 Ca 0.33 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 3ihy s ALA 826 Cb 0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 3ihy s ALA 826 CO 0.08 0.11 2.01 0.09 0.00 0.00 0.00 175.76 178.04 3ihy n ASN 827 N 2.09 3.17 -3.97 0.00 3.02 -1.26 -4.27 115.26 114.04 3ihy n ASN 827 Ca -0.18 -2.75 -0.30 0.00 -0.03 0.00 0.00 54.58 51.32 3ihy n ASN 827 Cb 0.56 -1.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.18 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 4.97 1.59 0.23 2.41 -1.09 -1.26 -4.80 121.20 123.25 3ihy s ILE 828 Ca 0.55 -1.12 -0.07 0.00 -2.23 0.00 0.00 60.65 57.78 3ihy s ILE 828 Cb 0.12 -1.76 0.19 0.00 -1.58 0.00 0.00 42.46 39.43 3ihy s ILE 828 CO 0.05 0.03 1.74 -0.65 -1.23 0.00 0.00 174.94 174.88 3ihy h PRO 829 N 7.96 0.41 0.00 2.79 0.11 -1.98 0.43 132.00 141.72 3ihy h PRO 829 Ca -0.23 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 3ihy h PRO 829 Cb 1.08 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3ihy h PRO 829 CO 0.44 0.27 -0.31 -0.44 -0.21 0.00 0.00 178.00 177.75 3ihy h ASP 830 N 0.43 0.00 0.71 -2.05 3.32 -1.93 -1.53 116.42 115.37 3ihy h ASP 830 Ca 0.36 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.16 3ihy h ASP 830 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3ihy h ASP 830 CO -0.36 0.31 -1.36 0.40 -1.72 0.00 0.00 179.24 176.51 3ihy h ILE 831 N 0.00 1.29 0.00 0.35 2.04 -1.33 -3.35 117.51 116.51 3ihy h ILE 831 Ca -0.00 -3.04 -0.04 0.00 1.00 0.00 0.00 64.86 62.77 3ihy h ILE 831 Cb 0.71 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 3ihy h ILE 831 CO 0.04 0.76 -0.20 0.00 0.00 0.00 0.00 178.15 178.76 3ihy h ALA 832 N 0.91 1.00 0.00 1.87 0.00 0.33 -2.49 119.26 120.87 3ihy h ALA 832 Ca -0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3ihy h ALA 832 Cb 1.90 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 3ihy h ALA 832 CO 0.12 0.25 -0.16 -0.07 0.00 0.00 0.00 179.25 179.38 3ihy h LEU 833 N 0.00 0.00 -5.13 0.00 3.38 -1.43 -3.38 115.31 108.76 3ihy h LEU 833 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3ihy h LEU 833 Cb 0.77 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.34 3ihy h LEU 833 CO 0.03 0.16 -0.56 -0.62 0.09 0.00 0.00 178.44 177.54 3ihy n GLU 834 N -4.29 0.87 -0.17 1.13 1.02 -1.11 -5.01 120.64 113.08 3ihy n GLU 834 Ca -0.02 -2.00 -0.06 0.00 -0.02 0.00 0.00 57.16 55.06 3ihy n GLU 834 Cb 0.23 -1.31 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 3ihy n GLU 834 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ihy h PRO 835 N 3.60 0.59 -1.00 3.49 0.11 -1.63 -1.02 132.00 136.14 3ihy h PRO 835 Ca -0.10 -0.04 0.37 0.00 0.11 0.00 0.00 66.00 66.34 3ihy h PRO 835 Cb 1.04 -0.13 -0.16 0.00 0.11 0.00 0.00 31.00 31.85 3ihy h PRO 835 CO 0.28 0.39 0.56 0.38 -0.21 0.00 0.00 178.00 179.40 3ihy h ASP 836 N 0.61 0.43 -0.21 -2.05 2.03 -1.90 -2.86 116.42 112.46 3ihy h ASP 836 Ca 0.21 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 3ihy h ASP 836 Cb 0.03 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 3ihy h ASP 836 CO -0.10 -0.27 0.00 0.29 -1.03 0.00 0.00 179.24 178.13 3ihy n LYS 837 N -5.15 1.84 0.02 4.15 5.02 -0.42 -4.78 118.16 118.83 3ihy n LYS 837 Ca 0.35 -1.73 -0.12 0.00 -2.02 0.00 0.00 58.31 54.78 3ihy n LYS 837 Cb 1.12 -1.30 -0.08 0.00 -0.02 0.00 0.00 35.03 34.76 3ihy n LYS 837 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3ihy h THR 838 N 2.61 1.12 -0.83 -0.18 2.02 -1.21 -2.92 112.91 113.52 3ihy h THR 838 Ca 0.00 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3ihy h THR 838 Cb 0.68 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 3ihy h THR 838 CO 0.00 0.10 0.44 0.58 0.37 0.00 0.00 175.52 177.00 3ihy h VAL 839 N -0.14 1.25 -0.71 3.16 2.07 -1.86 -2.68 116.25 117.33 3ihy h VAL 839 Ca 0.00 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3ihy h VAL 839 Cb 0.15 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 3ihy h VAL 839 CO -0.00 0.28 0.44 0.50 0.02 0.00 0.00 177.57 178.82 3ihy h LYS 840 N 1.17 0.83 -0.05 1.57 3.64 -1.86 -1.51 116.57 120.37 3ihy h LYS 840 Ca 0.29 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3ihy h LYS 840 Cb 0.05 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3ihy h LYS 840 CO -0.04 0.55 0.07 0.87 -2.27 0.00 0.00 179.45 178.63 3ihy h LYS 841 N 0.86 0.00 0.09 1.90 1.57 -1.30 0.50 116.57 120.20 3ihy h LYS 841 Ca 0.29 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.77 3ihy h LYS 841 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3ihy h LYS 841 CO -0.12 0.00 -1.61 0.28 -0.57 0.00 0.00 179.45 177.43 3ihy h VAL 842 N 0.00 0.84 -0.68 0.50 2.07 -1.33 -3.38 116.25 114.27 3ihy h VAL 842 Ca 0.02 -2.32 0.10 0.00 0.82 0.00 0.00 66.70 65.31 3ihy h VAL 842 Cb 0.17 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 3ihy h VAL 842 CO -0.00 0.69 0.31 -0.61 0.02 0.00 0.00 177.57 177.98 3ihy h GLN 843 N -0.32 0.52 -0.38 1.57 4.15 -0.33 -2.31 115.11 118.00 3ihy h GLN 843 Ca -0.36 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.04 3ihy h GLN 843 Cb 1.76 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 29.32 3ihy h GLN 843 CO 0.01 0.34 0.26 -0.44 -1.93 0.00 0.00 178.83 177.06 3ihy h ASP 844 N 0.53 0.40 0.20 -0.69 3.32 -1.12 -0.80 116.42 118.27 3ihy h ASP 844 Ca 0.34 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 3ihy h ASP 844 Cb 0.38 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3ihy h ASP 844 CO -0.29 0.29 -0.24 0.11 -1.72 0.00 0.00 179.24 177.39 3ihy h LYS 845 N 0.48 0.08 0.00 3.56 1.79 -1.58 -2.79 116.57 118.10 3ihy h LYS 845 Ca 0.15 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3ihy h LYS 845 Cb 0.01 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ihy h LYS 845 CO -0.03 0.32 0.00 0.74 -1.08 0.00 0.00 179.45 179.40 3ihy h PHE 846 N 0.08 0.00 -6.39 -1.35 0.04 -1.17 -3.47 116.94 104.68 3ihy h PHE 846 Ca 0.01 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.31 3ihy h PHE 846 Cb 0.47 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.67 3ihy h PHE 846 CO 0.00 0.00 -0.94 0.54 -0.60 0.00 0.00 178.31 177.31 3ihy n ARG 847 N -2.95 -1.37 0.27 1.51 5.12 -1.06 -4.86 116.66 113.32 3ihy n ARG 847 Ca 0.01 0.38 0.15 0.00 -1.93 0.00 0.00 57.85 56.46 3ihy n ARG 847 Cb 0.28 -3.92 0.71 0.00 -1.16 0.00 0.00 32.46 28.37 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 -2.01 0.00 -1.50 0.55 3.38 -1.86 -1.90 115.31 111.96 3ihy h LEU 848 Ca -0.67 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 3ihy h LEU 848 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3ihy h LEU 848 CO 0.51 0.08 -0.17 -2.24 0.09 0.00 0.00 178.44 176.70 3ihy h ASP 849 N 0.00 0.10 -3.91 -0.43 2.03 -1.96 -3.43 116.42 108.81 3ihy h ASP 849 Ca -0.00 -0.02 -0.46 0.00 -0.73 0.00 0.00 57.03 55.82 3ihy h ASP 849 Cb 0.47 -0.03 0.12 0.00 -0.83 0.00 0.00 39.33 39.06 3ihy h ASP 849 CO 0.01 0.28 0.34 -0.76 -1.03 0.00 0.00 179.24 178.08 3ihy s LEU 850 N -8.66 2.71 0.36 0.15 1.43 -0.71 -5.11 118.68 108.84 3ihy s LEU 850 Ca -0.04 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 3ihy s LEU 850 Cb 0.15 -2.71 -0.06 0.00 0.03 0.00 0.00 46.19 43.61 3ihy s LEU 850 CO 0.71 -2.16 0.06 -0.94 0.23 0.00 0.00 176.35 174.26 3ihy s SER 851 N -4.71 2.66 0.39 2.29 1.04 -1.26 -4.87 113.70 109.25 3ihy s SER 851 Ca 0.67 -1.44 0.19 0.00 0.48 0.00 0.00 55.95 55.85 3ihy s SER 851 Cb -0.07 0.01 1.13 0.00 0.10 0.00 0.00 66.02 67.18 3ihy s SER 851 CO 0.49 -0.66 1.74 0.44 0.98 0.00 0.00 173.24 176.23 3ihy h ASP 852 N 1.99 0.45 0.14 7.02 5.19 -1.97 1.11 116.42 130.35 3ihy h ASP 852 Ca -0.40 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 3ihy h ASP 852 Cb 1.25 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3ihy h ASP 852 CO 0.69 0.03 -0.07 -0.08 -3.12 0.00 0.00 179.24 176.70 3ihy h GLU 853 N 0.36 -0.18 -0.09 3.56 4.81 -1.99 -2.41 114.58 118.65 3ihy h GLU 853 Ca 0.64 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.78 3ihy h GLU 853 Cb 1.64 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 3ihy h GLU 853 CO -0.36 0.28 -0.44 0.93 -0.73 0.00 0.00 179.01 178.70 3ihy h GLU 854 N -0.80 0.21 0.12 1.92 5.08 -1.24 -2.18 114.58 117.69 3ihy h GLU 854 Ca -0.02 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3ihy h GLU 854 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3ihy h GLU 854 CO 0.03 0.61 -0.06 0.00 -1.00 0.00 0.00 179.01 178.60 3ihy h ALA 855 N 1.37 -0.16 -0.27 3.43 0.00 0.11 0.18 119.26 123.93 3ihy h ALA 855 Ca 0.01 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3ihy h ALA 855 Cb 0.85 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ihy h ALA 855 CO 0.07 -0.54 0.22 0.28 0.00 0.00 0.00 179.25 179.28 3ihy h VAL 856 N -0.26 0.69 0.20 0.00 2.07 -1.20 -1.55 116.25 116.20 3ihy h VAL 856 Ca -0.02 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.18 3ihy h VAL 856 Cb 0.21 0.84 0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3ihy h VAL 856 CO 0.03 0.00 -1.47 -0.74 0.02 0.00 0.00 177.57 175.40 3ihy h HIS 857 N 0.00 0.77 -0.63 1.57 6.17 -0.72 -3.09 115.15 119.21 3ihy h HIS 857 Ca 0.13 -0.56 -0.08 0.00 0.71 0.00 0.00 60.37 60.57 3ihy h HIS 857 Cb 0.57 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.44 3ihy h HIS 857 CO 0.00 1.49 0.09 -0.92 0.71 0.00 0.00 177.93 179.30 3ihy h TYR 858 N 0.12 1.11 0.45 5.26 3.20 -0.05 -2.12 116.97 124.93 3ihy h TYR 858 Ca -0.24 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.46 3ihy h TYR 858 Cb 2.10 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 40.07 3ihy h TYR 858 CO 0.10 0.94 -0.22 1.98 -1.64 0.00 0.00 178.16 179.33 3ihy h MET 859 N 0.98 -0.58 -0.39 1.82 4.05 -1.42 -1.08 114.93 118.31 3ihy h MET 859 Ca 0.19 0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.73 3ihy h MET 859 Cb 0.44 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.30 3ihy h MET 859 CO 0.01 -0.39 -0.12 0.94 0.23 0.00 0.00 176.91 177.59 3ihy n GLN 860 N -3.62 -0.05 0.21 0.39 7.27 -1.17 0.72 117.38 121.14 3ihy n GLN 860 Ca -0.07 0.61 -0.15 0.00 0.07 0.00 0.00 57.00 57.45 3ihy n GLN 860 Cb 0.24 -0.91 -0.08 0.00 2.41 0.00 0.00 30.24 31.90 3ihy n GLN 860 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 3ihy h SER 861 N 0.00 -0.42 -0.39 1.69 0.02 -0.89 0.48 113.55 114.04 3ihy h SER 861 Ca 0.17 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 3ihy h SER 861 Cb 0.27 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 3ihy h SER 861 CO -0.40 -0.29 0.01 -0.07 -1.14 0.00 0.00 176.83 174.94 3ihy h LEU 862 N -0.48 -0.14 -0.80 5.07 3.38 0.16 0.17 115.31 122.67 3ihy h LEU 862 Ca -0.04 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ihy h LEU 862 Cb 0.37 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3ihy h LEU 862 CO 0.07 -0.03 0.44 0.40 0.09 0.00 0.00 178.44 179.41 3ihy h ILE 863 N 0.11 1.24 -0.40 1.22 2.04 -0.41 -0.62 117.51 120.69 3ihy h ILE 863 Ca 0.19 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 3ihy h ILE 863 Cb 0.27 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3ihy h ILE 863 CO -0.31 0.26 -0.23 0.44 0.00 0.00 0.00 178.15 178.31 3ihy h ASP 864 N 1.11 0.81 -0.15 1.72 3.32 0.04 -2.04 116.42 121.23 3ihy h ASP 864 Ca 0.28 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3ihy h ASP 864 Cb 0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3ihy h ASP 864 CO -0.05 1.01 -0.14 -0.33 -1.72 0.00 0.00 179.24 178.02 3ihy h GLU 865 N 0.69 0.37 0.03 3.56 5.08 -0.36 -0.62 114.58 123.32 3ihy h GLU 865 Ca 0.09 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3ihy h GLU 865 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 3ihy h GLU 865 CO 0.06 0.74 -0.11 0.77 -1.00 0.00 0.00 179.01 179.47 3ihy h SER 866 N 0.01 -0.31 -0.48 1.42 0.02 -1.14 0.93 113.55 114.00 3ihy h SER 866 Ca 0.03 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3ihy h SER 866 Cb 0.66 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3ihy h SER 866 CO 0.04 -0.16 0.17 0.58 -1.14 0.00 0.00 176.83 176.32 3ihy h VAL 867 N -0.21 1.22 -0.38 2.27 2.07 -1.38 -1.95 116.25 117.89 3ihy h VAL 867 Ca 0.03 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3ihy h VAL 867 Cb 0.24 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ihy h VAL 867 CO -0.09 0.26 0.22 -0.74 0.02 0.00 0.00 177.57 177.24 3ihy h HIS 868 N 0.64 0.42 0.00 1.57 6.17 -0.97 -2.36 115.15 120.62 3ihy h HIS 868 Ca 0.16 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.25 3ihy h HIS 868 Cb 0.23 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.02 3ihy h HIS 868 CO 0.01 0.25 -0.02 0.00 0.71 0.00 0.00 177.93 178.88 3ihy h ALA 869 N 1.17 1.23 0.00 5.26 0.00 -0.32 -2.17 119.26 124.42 3ihy h ALA 869 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ihy h ALA 869 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ihy h ALA 869 CO -0.07 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.49 3ihy n LEU 870 N -3.44 0.00 0.00 0.00 4.77 -0.78 -5.08 117.00 112.47 3ihy n LEU 870 Ca -0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3ihy n LEU 870 Cb 0.11 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3ihy n LEU 870 CO 0.25 -0.01 0.12 0.49 -1.33 0.00 0.00 177.39 176.91