#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihy s LYS 287 N 0.00 0.57 0.28 3.23 1.02 -1.26 -4.70 119.74 118.88 3ihy s LYS 287 Ca 0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 55.97 55.88 3ihy s LYS 287 Cb 0.00 -0.68 -0.07 0.00 -0.52 0.00 0.00 37.83 36.56 3ihy s LYS 287 CO 0.00 -0.11 0.62 -1.25 -0.92 0.00 0.00 175.35 173.68 3ihy s PRO 288 N 1.01 3.81 1.11 -1.68 0.04 -1.26 -5.08 135.00 132.94 3ihy s PRO 288 Ca -0.10 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.09 3ihy s PRO 288 Cb -0.14 -2.57 0.28 0.00 0.04 0.00 0.00 34.50 32.12 3ihy s PRO 288 CO -0.01 0.22 0.75 0.27 0.04 0.00 0.00 177.00 178.27 3ihy n ASN 289 N -0.45 -3.13 0.17 6.66 0.23 -1.26 -4.81 115.26 112.67 3ihy n ASN 289 Ca 0.01 -0.81 -0.13 0.00 -0.53 0.00 0.00 54.58 53.12 3ihy n ASN 289 Cb 0.53 -0.79 -0.08 0.00 -2.08 0.00 0.00 39.78 37.36 3ihy n ASN 289 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ihy h ALA 290 N -3.08 -0.43 -0.47 -2.53 0.00 -2.01 -2.87 119.26 107.86 3ihy h ALA 290 Ca -0.32 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.48 3ihy h ALA 290 Cb 1.04 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3ihy h ALA 290 CO 0.20 -0.58 0.14 0.00 0.00 0.00 0.00 179.25 179.00 3ihy h ALA 291 N -0.22 0.56 0.00 0.00 0.00 -2.02 -2.17 119.26 115.41 3ihy h ALA 291 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ihy h ALA 291 Cb 0.50 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ihy h ALA 291 CO 0.07 -0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.31 3ihy n THR 292 N -5.05 0.00 -0.07 0.00 -2.24 -1.21 -1.84 114.28 103.87 3ihy n THR 292 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3ihy n THR 292 Cb 0.20 -0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.16 3ihy n THR 292 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3ihy h ARG 293 N 0.00 0.00 -0.53 -0.78 9.65 -1.16 -3.33 114.38 118.23 3ihy h ARG 293 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 3ihy h ARG 293 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3ihy h ARG 293 CO 0.00 0.82 0.14 -0.44 2.80 0.00 0.00 179.97 183.28 3ihy h ASP 294 N -1.00 0.81 -0.55 -3.80 3.32 -1.48 -2.12 116.42 111.60 3ihy h ASP 294 Ca -0.00 -0.23 0.06 0.00 0.02 0.00 0.00 57.03 56.88 3ihy h ASP 294 Cb 0.82 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.07 3ihy h ASP 294 CO -0.00 0.82 -0.57 1.56 -1.72 0.00 0.00 179.24 179.33 3ihy h GLN 295 N 0.75 -0.30 -0.38 3.56 1.08 -1.57 -2.18 115.11 116.08 3ihy h GLN 295 Ca 0.17 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 3ihy h GLN 295 Cb 0.33 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 3ihy h GLN 295 CO 0.00 -0.20 0.12 -0.07 -0.95 0.00 0.00 178.83 177.73 3ihy h LEU 296 N -0.31 0.55 -0.64 1.46 3.38 -1.60 -2.52 115.31 115.64 3ihy h LEU 296 Ca 0.09 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 296 Cb 0.55 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 3ihy h LEU 296 CO -0.68 0.61 0.05 0.78 0.09 0.00 0.00 178.44 179.29 3ihy h ASN 297 N 0.47 -0.19 -0.36 -0.43 4.21 -1.15 0.23 115.58 118.37 3ihy h ASN 297 Ca 0.12 0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.77 3ihy h ASN 297 Cb 0.25 0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 3ihy h ASN 297 CO -0.00 -0.09 0.19 0.40 -1.29 0.00 0.00 177.43 176.64 3ihy h ILE 298 N 0.16 1.15 0.28 2.81 1.08 -1.12 -0.93 117.51 120.94 3ihy h ILE 298 Ca 0.34 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 3ihy h ILE 298 Cb 0.56 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3ihy h ILE 298 CO -0.51 0.16 -0.13 0.40 -0.69 0.00 0.00 178.15 177.37 3ihy h ILE 299 N 0.45 0.75 -0.24 -0.67 2.04 -0.98 -2.72 117.51 116.14 3ihy h ILE 299 Ca 0.13 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.85 3ihy h ILE 299 Cb 0.08 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ihy h ILE 299 CO -0.02 0.04 0.21 0.58 0.00 0.00 0.00 178.15 178.96 3ihy h VAL 300 N -0.48 0.65 -0.62 1.67 2.07 -0.47 -1.65 116.25 117.42 3ihy h VAL 300 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3ihy h VAL 300 Cb 0.36 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3ihy h VAL 300 CO 0.06 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.11 3ihy n SER 301 N -4.12 4.05 -4.80 0.57 3.41 -0.36 -4.80 113.62 107.56 3ihy n SER 301 Ca 0.03 -2.24 -0.33 0.00 -0.26 0.00 0.00 58.87 56.06 3ihy n SER 301 Cb 0.35 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.54 2.95 0.84 7.33 2.02 -0.62 -5.00 117.35 123.33 3ihy s TYR 302 Ca 0.46 1.53 -0.14 0.00 -0.37 0.00 0.00 57.07 58.55 3ihy s TYR 302 Cb 0.27 -3.05 0.02 0.00 -0.40 0.00 0.00 41.96 38.80 3ihy s TYR 302 CO 0.26 -1.10 0.57 -2.30 -1.57 0.00 0.00 175.55 171.41 3ihy n PRO 303 N -1.72 0.00 0.29 -1.71 -0.02 -1.26 -4.84 135.00 125.74 3ihy n PRO 303 Ca 0.09 0.05 0.17 0.00 -2.02 0.00 0.00 63.50 61.79 3ihy n PRO 303 Cb 0.53 -1.93 0.84 0.00 -0.02 0.00 0.00 33.50 32.91 3ihy n PRO 303 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3ihy h PRO 304 N -1.01 0.00 0.00 0.52 0.13 -1.94 -2.99 132.00 126.71 3ihy h PRO 304 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 3ihy h PRO 304 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 3ihy h PRO 304 CO 0.39 0.06 -1.98 0.25 -0.23 0.00 0.00 178.00 176.48 3ihy n THR 305 N -3.34 0.15 -1.63 1.56 -2.24 -1.26 -4.97 114.28 102.54 3ihy n THR 305 Ca -0.01 -0.51 -0.44 0.00 -2.27 0.00 0.00 64.05 60.82 3ihy n THR 305 Cb 0.21 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 3ihy n THR 305 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ihy n LYS 306 N -2.27 1.64 -3.27 -0.78 3.00 -1.13 -4.99 118.16 110.37 3ihy n LYS 306 Ca -0.07 0.58 -0.32 0.00 -0.00 0.00 0.00 58.31 58.50 3ihy n LYS 306 Cb 0.60 -2.03 -0.06 0.00 0.00 0.00 0.00 35.03 33.55 3ihy n LYS 306 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3ihy s GLN 307 N -1.69 3.88 -0.12 1.64 -1.52 -1.26 -4.93 119.66 115.65 3ihy s GLN 307 Ca 0.57 0.45 -0.10 0.00 -1.95 0.00 0.00 55.36 54.34 3ihy s GLN 307 Cb -0.65 -2.54 -0.05 0.00 -0.22 0.00 0.00 33.01 29.56 3ihy s GLN 307 CO 0.61 0.23 0.20 -0.51 -0.25 0.00 0.00 175.29 175.57 3ihy s LEU 308 N -2.95 4.35 0.46 2.90 1.43 -1.26 -5.09 118.68 118.51 3ihy s LEU 308 Ca 0.50 0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 53.88 3ihy s LEU 308 Cb -0.11 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.84 3ihy s LEU 308 CO 0.20 0.30 1.12 0.42 0.23 0.00 0.00 176.35 178.63 3ihy s THR 309 N -0.54 3.32 0.43 5.49 -4.23 -1.26 -4.89 115.64 113.96 3ihy s THR 309 Ca 0.15 0.96 0.28 0.00 -1.18 0.00 0.00 61.69 61.90 3ihy s THR 309 Cb -0.13 -3.47 0.46 0.00 1.34 0.00 0.00 72.50 70.71 3ihy s THR 309 CO 0.04 -0.05 1.64 1.88 -0.54 0.00 0.00 174.62 177.60 3ihy h TYR 310 N 2.00 0.56 -0.08 3.99 0.05 -2.00 0.19 116.97 121.68 3ihy h TYR 310 Ca -0.49 0.02 -0.20 0.00 0.05 0.00 0.00 58.73 58.11 3ihy h TYR 310 Cb 1.24 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.85 3ihy h TYR 310 CO 0.54 -0.18 -0.73 1.49 -1.05 0.00 0.00 178.16 178.24 3ihy h GLU 311 N 0.13 0.63 -0.03 4.88 4.81 -2.01 -3.04 114.58 119.95 3ihy h GLU 311 Ca 0.79 -0.57 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3ihy h GLU 311 Cb 2.39 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.91 3ihy h GLU 311 CO -0.42 1.19 0.04 0.93 -0.73 0.00 0.00 179.01 180.02 3ihy h GLU 312 N 0.27 0.00 0.00 1.92 5.08 -1.00 -2.17 114.58 118.67 3ihy h GLU 312 Ca -0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3ihy h GLU 312 Cb 1.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3ihy h GLU 312 CO 0.15 0.00 -0.57 1.96 -1.00 0.00 0.00 179.01 179.54 3ihy h GLN 313 N 0.00 0.00 0.08 2.33 4.20 -1.33 -3.14 115.11 117.25 3ihy h GLN 313 Ca 0.01 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.45 3ihy h GLN 313 Cb 0.10 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.89 3ihy h GLN 313 CO -0.00 0.24 -1.15 -0.44 -0.67 0.00 0.00 178.83 176.81 3ihy h ASP 314 N 0.00 0.67 0.17 1.46 3.32 -1.33 -2.64 116.42 118.07 3ihy h ASP 314 Ca -0.03 -0.61 -0.00 0.00 0.02 0.00 0.00 57.03 56.41 3ihy h ASP 314 Cb 1.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3ihy h ASP 314 CO 0.03 1.43 -0.12 0.25 -1.72 0.00 0.00 179.24 179.12 3ihy h LEU 315 N 0.22 -0.30 -0.32 1.55 5.85 -1.55 0.35 115.31 121.11 3ihy h LEU 315 Ca -0.14 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 3ihy h LEU 315 Cb 1.82 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 3ihy h LEU 315 CO 0.21 -0.19 -0.12 0.58 -0.34 0.00 0.00 178.44 178.57 3ihy h VAL 316 N -0.29 1.29 -1.00 1.05 2.07 -1.66 0.12 116.25 117.83 3ihy h VAL 316 Ca -0.01 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.31 3ihy h VAL 316 Cb 0.25 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3ihy h VAL 316 CO 0.00 0.39 0.66 -0.25 0.02 0.00 0.00 177.57 178.39 3ihy h TRP 317 N 0.41 1.25 0.70 1.57 2.91 -1.42 -1.61 115.95 119.75 3ihy h TRP 317 Ca 0.07 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 3ihy h TRP 317 Cb 0.64 -0.42 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 3ihy h TRP 317 CO 0.06 0.78 -0.39 -0.22 -1.03 0.00 0.00 178.44 177.64 3ihy h LYS 318 N 1.34 -0.97 -1.64 2.65 3.64 0.01 -3.16 116.57 118.43 3ihy h LYS 318 Ca 0.37 0.07 -0.31 0.00 -1.27 0.00 0.00 60.65 59.50 3ihy h LYS 318 Cb -0.14 0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 31.77 3ihy h LYS 318 CO -0.08 -0.65 0.35 1.19 -2.27 0.00 0.00 179.45 177.99 3ihy n PHE 319 N -4.89 1.35 -0.10 1.91 3.72 0.00 -4.55 117.46 114.90 3ihy n PHE 319 Ca -0.12 -1.86 -0.13 0.00 -0.05 0.00 0.00 57.45 55.29 3ihy n PHE 319 Cb 0.41 -0.99 -0.04 0.00 -0.94 0.00 0.00 39.48 37.93 3ihy n PHE 319 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3ihy h ARG 320 N 1.67 0.69 0.00 -1.08 0.11 -1.26 -0.39 114.38 114.12 3ihy h ARG 320 Ca 0.27 -0.34 -0.11 0.00 0.10 0.00 0.00 59.98 59.90 3ihy h ARG 320 Cb 0.92 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.98 3ihy h ARG 320 CO 0.68 0.94 -0.55 1.88 0.10 0.00 0.00 179.97 183.03 3ihy h TYR 321 N 0.45 0.00 -0.21 4.08 0.05 -1.87 -2.49 116.97 116.98 3ihy h TYR 321 Ca 0.06 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 3ihy h TYR 321 Cb 0.78 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 3ihy h TYR 321 CO 0.07 0.55 -0.03 -0.92 -1.05 0.00 0.00 178.16 176.77 3ihy h TYR 322 N 0.00 0.44 0.00 4.88 3.20 -1.81 -3.25 116.97 120.42 3ihy h TYR 322 Ca -0.01 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3ihy h TYR 322 Cb 1.05 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3ihy h TYR 322 CO 0.00 0.62 0.00 -0.07 -1.64 0.00 0.00 178.16 177.07 3ihy h LEU 323 N 0.13 0.00 -1.50 2.82 3.38 -0.87 -3.21 115.31 116.07 3ihy h LEU 323 Ca 0.06 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.40 3ihy h LEU 323 Cb 0.46 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 3ihy h LEU 323 CO 0.02 0.00 0.82 0.00 0.09 0.00 0.00 178.44 179.36 3ihy h THR 324 N 0.00 0.30 -0.11 0.22 1.03 -1.48 0.78 112.91 113.64 3ihy h THR 324 Ca 0.00 -0.06 -0.15 0.00 -0.01 0.00 0.00 66.41 66.19 3ihy h THR 324 Cb 0.46 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.63 3ihy h THR 324 CO 0.00 0.03 -0.58 0.78 -0.01 0.00 0.00 175.52 175.74 3ihy h ASN 325 N 0.18 0.41 -3.50 0.00 4.21 -1.80 -3.02 115.58 112.05 3ihy h ASN 325 Ca 0.71 -0.23 -0.56 0.00 1.21 0.00 0.00 56.30 57.43 3ihy h ASN 325 Cb 2.21 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 39.23 3ihy h ASN 325 CO -0.30 0.90 0.95 -1.10 -1.29 0.00 0.00 177.43 176.59 3ihy s GLN 326 N -3.85 3.76 0.47 0.81 -0.21 0.27 -4.83 119.66 116.07 3ihy s GLN 326 Ca -0.05 0.79 0.26 0.00 0.02 0.00 0.00 55.36 56.38 3ihy s GLN 326 Cb 0.12 -3.90 0.87 0.00 1.00 0.00 0.00 33.01 31.09 3ihy s GLN 326 CO 0.81 -1.32 1.80 1.05 -2.12 0.00 0.00 175.29 175.51 3ihy h GLU 327 N 9.37 0.00 -0.12 2.91 9.09 -1.81 -2.78 114.58 131.25 3ihy h GLU 327 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 3ihy h GLU 327 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 3ihy h GLU 327 CO 1.10 0.11 0.00 1.63 0.05 0.00 0.00 179.01 181.90 3ihy n LYS 328 N -3.20 1.57 0.00 1.06 5.02 -1.26 -3.75 118.16 117.61 3ihy n LYS 328 Ca 0.01 -0.86 0.11 0.00 -2.02 0.00 0.00 58.31 55.56 3ihy n LYS 328 Cb 0.44 -1.39 0.08 0.00 -0.02 0.00 0.00 35.03 34.14 3ihy n LYS 328 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ihy n ALA 329 N 0.07 4.08 -0.27 7.82 0.00 -1.05 -4.47 120.51 126.70 3ihy n ALA 329 Ca 0.16 -0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 3ihy n ALA 329 Cb 0.28 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.83 3ihy n ALA 329 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ihy h LEU 330 N 0.11 1.01 -0.78 0.00 5.85 -1.72 -1.52 115.31 118.27 3ihy h LEU 330 Ca 0.00 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.43 3ihy h LEU 330 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3ihy h LEU 330 CO 0.00 0.90 -0.53 0.71 -0.34 0.00 0.00 178.44 179.18 3ihy h THR 331 N 1.06 1.36 -0.09 1.05 1.35 -1.85 -0.74 112.91 115.05 3ihy h THR 331 Ca 0.25 -1.82 -0.09 0.00 -0.55 0.00 0.00 66.41 64.19 3ihy h THR 331 Cb 0.20 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3ihy h THR 331 CO -0.02 0.54 -0.30 0.11 -0.25 0.00 0.00 175.52 175.59 3ihy h LYS 332 N 0.16 0.37 -0.81 4.72 1.79 -1.75 -2.97 116.57 118.07 3ihy h LYS 332 Ca 0.00 -0.27 0.04 0.00 -2.18 0.00 0.00 60.65 58.24 3ihy h LYS 332 Cb 0.99 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.65 3ihy h LYS 332 CO 0.08 0.90 0.54 0.35 -1.08 0.00 0.00 179.45 180.23 3ihy h PHE 333 N -0.09 0.97 0.00 -1.35 3.57 -1.20 -2.89 116.94 115.95 3ihy h PHE 333 Ca -0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3ihy h PHE 333 Cb 0.93 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3ihy h PHE 333 CO 0.12 0.56 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.25 3ihy h LEU 334 N 1.00 0.00 -0.83 0.59 3.38 -1.08 -2.16 115.31 116.20 3ihy h LEU 334 Ca 0.33 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.33 3ihy h LEU 334 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3ihy h LEU 334 CO -0.10 0.43 0.53 0.11 0.09 0.00 0.00 178.44 179.50 3ihy h LYS 335 N 0.00 0.98 0.00 1.13 1.57 -1.35 -3.19 116.57 115.72 3ihy h LYS 335 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ihy h LYS 335 Cb 0.83 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3ihy h LYS 335 CO 0.06 0.65 -0.03 0.00 -0.57 0.00 0.00 179.45 179.56 3ihy s VAL 337 N -4.93 2.69 -0.30 0.00 1.01 -1.21 -5.01 120.40 112.65 3ihy s VAL 337 Ca -0.05 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 3ihy s VAL 337 Cb 0.16 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.22 3ihy s VAL 337 CO 0.66 0.09 0.03 0.54 0.00 0.00 0.00 175.10 176.42 3ihy s ASN 338 N -0.77 4.95 0.38 3.32 2.20 -1.26 -4.99 114.94 118.77 3ihy s ASN 338 Ca 0.56 -1.11 0.20 0.00 -0.94 0.00 0.00 52.86 51.57 3ihy s ASN 338 Cb -0.37 -1.77 0.58 0.00 -2.00 0.00 0.00 41.25 37.69 3ihy s ASN 338 CO 0.48 -0.25 1.68 -0.50 -2.94 0.00 0.00 177.10 175.57 3ihy h TRP 339 N 8.09 0.00 0.00 1.54 4.06 -1.96 -2.27 115.95 125.41 3ihy h TRP 339 Ca -0.24 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.67 3ihy h TRP 339 Cb 1.08 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 3ihy h TRP 339 CO 0.60 0.34 -0.15 -0.44 -3.56 0.00 0.00 178.44 175.23 3ihy h ASP 340 N 0.00 0.00 -3.28 -3.49 3.32 -2.02 -3.37 116.42 107.57 3ihy h ASP 340 Ca -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3ihy h ASP 340 Cb 0.98 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.46 3ihy h ASP 340 CO 0.04 0.15 0.63 -0.22 -1.72 0.00 0.00 179.24 178.13 3ihy s LEU 341 N -6.77 4.05 0.07 1.55 2.96 -0.85 -4.95 118.68 114.73 3ihy s LEU 341 Ca -0.00 1.02 -0.10 0.00 -0.22 0.00 0.00 54.13 54.83 3ihy s LEU 341 Cb 0.11 -3.33 -0.26 0.00 0.50 0.00 0.00 46.19 43.20 3ihy s LEU 341 CO 0.60 -0.68 1.14 1.55 -1.32 0.00 0.00 176.35 177.64 3ihy h PRO 342 N 7.85 0.46 -0.85 0.98 0.13 -1.83 -2.63 132.00 136.11 3ihy h PRO 342 Ca -0.22 -0.66 0.08 0.00 -0.87 0.00 0.00 66.00 64.33 3ihy h PRO 342 Cb 1.08 0.23 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 3ihy h PRO 342 CO 0.94 1.29 -0.50 1.04 -0.23 0.00 0.00 178.00 180.54 3ihy n GLN 343 N -3.69 -0.37 0.15 0.86 1.13 -1.26 -1.01 117.38 113.19 3ihy n GLN 343 Ca -0.11 1.41 0.06 0.00 -1.94 0.00 0.00 57.00 56.42 3ihy n GLN 343 Cb 0.99 -2.08 0.06 0.00 0.11 0.00 0.00 30.24 29.32 3ihy n GLN 343 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 3ihy h GLU 344 N 0.00 0.00 -0.35 -1.09 4.11 -1.89 -3.06 114.58 112.31 3ihy h GLU 344 Ca 0.14 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.64 3ihy h GLU 344 Cb 0.35 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 3ihy h GLU 344 CO -0.79 0.27 -0.11 0.00 0.07 0.00 0.00 179.01 178.45 3ihy h ALA 345 N 1.70 0.19 -0.73 1.06 0.00 -0.99 0.24 119.26 120.73 3ihy h ALA 345 Ca -0.02 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3ihy h ALA 345 Cb 1.25 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3ihy h ALA 345 CO 0.04 -0.49 0.43 -0.22 0.00 0.00 0.00 179.25 179.01 3ihy h LYS 346 N -0.04 0.78 -0.20 0.00 3.64 -0.98 -2.20 116.57 117.56 3ihy h LYS 346 Ca 0.17 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3ihy h LYS 346 Cb 0.30 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3ihy h LYS 346 CO -0.38 0.51 -0.05 1.96 -2.27 0.00 0.00 179.45 179.23 3ihy h GLN 347 N 0.80 0.39 -0.69 1.90 4.20 -1.39 -2.16 115.11 118.17 3ihy h GLN 347 Ca 0.32 -0.15 0.15 0.00 0.06 0.00 0.00 58.65 59.03 3ihy h GLN 347 Cb 0.15 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 27.79 3ihy h GLN 347 CO -0.16 0.64 -0.03 0.00 -0.67 0.00 0.00 178.83 178.60 3ihy h ALA 348 N 0.74 0.65 -0.61 3.87 0.00 -0.29 0.17 119.26 123.79 3ihy h ALA 348 Ca 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ihy h ALA 348 Cb 0.49 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3ihy h ALA 348 CO 0.02 -0.41 0.22 -0.07 0.00 0.00 0.00 179.25 179.01 3ihy h LEU 349 N 0.09 0.83 -0.48 0.00 3.38 -1.36 -1.47 115.31 116.31 3ihy h LEU 349 Ca 0.36 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.25 3ihy h LEU 349 Cb 0.60 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3ihy h LEU 349 CO -0.62 0.76 0.24 -0.33 0.09 0.00 0.00 178.44 178.58 3ihy h GLU 350 N 0.89 0.46 -0.11 1.13 5.08 -0.02 -2.61 114.58 119.40 3ihy h GLU 350 Ca 0.21 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 3ihy h GLU 350 Cb 0.20 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ihy h GLU 350 CO -0.02 0.31 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.55 3ihy h LEU 351 N 0.48 0.55 -0.68 1.33 4.07 -1.10 -3.07 115.31 116.88 3ihy h LEU 351 Ca 0.21 -0.34 0.13 0.00 0.08 0.00 0.00 57.88 57.96 3ihy h LEU 351 Cb 0.11 -0.16 -0.10 0.00 1.08 0.00 0.00 40.66 41.59 3ihy h LEU 351 CO -0.14 1.07 0.19 0.25 -1.08 0.00 0.00 178.44 178.73 3ihy h LEU 352 N 0.33 0.08 -1.97 1.67 5.85 -1.11 -0.45 115.31 119.71 3ihy h LEU 352 Ca -0.02 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3ihy h LEU 352 Cb 1.25 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 3ihy h LEU 352 CO 0.12 0.02 -0.04 1.23 -0.34 0.00 0.00 178.44 179.44 3ihy h GLY 353 N 0.31 0.00 0.26 3.75 0.00 -1.38 -2.75 103.07 103.27 3ihy h GLY 353 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3ihy h GLY 353 CO -0.44 0.00 -1.10 0.28 0.00 0.00 0.00 176.54 175.29 3ihy n LYS 354 N -3.21 0.17 -2.59 4.80 4.76 -0.51 -5.02 118.16 116.57 3ihy n LYS 354 Ca -0.01 -0.03 -0.34 0.00 -2.87 0.00 0.00 58.31 55.06 3ihy n LYS 354 Cb 0.23 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 3ihy n LYS 354 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 3ihy s TRP 355 N -3.13 3.11 -0.10 2.13 -0.11 -0.30 -4.94 118.94 115.61 3ihy s TRP 355 Ca 0.05 1.60 -0.29 0.00 1.22 0.00 0.00 56.10 58.68 3ihy s TRP 355 Cb 0.15 -3.04 -0.06 0.00 -1.50 0.00 0.00 33.47 29.02 3ihy s TRP 355 CO 0.84 -0.67 1.96 -1.59 -4.62 0.00 0.00 176.95 172.87 3ihy s LYS 356 N -3.06 3.77 0.15 5.86 -2.85 -1.14 -4.84 119.74 117.63 3ihy s LYS 356 Ca 0.64 2.23 -0.30 0.00 -1.00 0.00 0.00 55.97 57.54 3ihy s LYS 356 Cb -0.16 -4.19 -0.18 0.00 -2.06 0.00 0.00 37.83 31.24 3ihy s LYS 356 CO 0.20 -1.36 0.64 -2.30 0.10 0.00 0.00 175.35 172.63 3ihy n PRO 357 N 7.91 0.00 -2.97 1.78 -0.01 -1.26 -4.60 135.00 135.85 3ihy n PRO 357 Ca 0.23 0.00 -0.27 0.00 -0.01 0.00 0.00 63.50 63.44 3ihy n PRO 357 Cb 0.43 -1.10 -0.01 0.00 -0.01 0.00 0.00 33.50 32.80 3ihy n PRO 357 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3ihy s MET 358 N -0.77 3.59 0.41 -0.52 0.23 -1.26 -4.87 119.30 116.11 3ihy s MET 358 Ca 0.69 0.10 -0.27 0.00 -1.03 0.00 0.00 55.69 55.19 3ihy s MET 358 Cb -1.00 -2.49 -0.10 0.00 -1.53 0.00 0.00 34.83 29.71 3ihy s MET 358 CO 0.56 -0.02 1.47 -0.51 -2.03 0.00 0.00 175.02 174.49 3ihy s ASP 359 N -3.72 6.11 0.16 -1.18 1.01 -1.26 -4.88 116.67 112.90 3ihy s ASP 359 Ca 0.46 3.01 -0.26 0.00 0.71 0.00 0.00 52.55 56.46 3ihy s ASP 359 Cb -0.10 -2.66 0.01 0.00 1.01 0.00 0.00 42.92 41.18 3ihy s ASP 359 CO 0.38 -1.03 1.58 0.58 0.21 0.00 0.00 175.17 176.88 3ihy h VAL 360 N 2.67 0.12 -0.81 -1.27 2.07 -1.96 -0.11 116.25 116.96 3ihy h VAL 360 Ca -0.51 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.17 3ihy h VAL 360 Cb 1.25 0.12 -0.15 0.00 -1.52 0.00 0.00 31.29 31.00 3ihy h VAL 360 CO 0.63 0.00 -0.22 1.21 0.02 0.00 0.00 177.57 179.20 3ihy n GLU 361 N -5.41 -0.09 0.09 1.57 2.13 -1.26 -0.57 120.64 117.09 3ihy n GLU 361 Ca -0.00 1.26 0.12 0.00 0.66 0.00 0.00 57.16 59.20 3ihy n GLU 361 Cb 0.35 -1.88 0.45 0.00 0.27 0.00 0.00 31.44 30.63 3ihy n GLU 361 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ihy n ASP 362 N -5.30 0.57 0.17 4.31 9.92 -0.08 -2.80 116.55 123.34 3ihy n ASP 362 Ca 0.12 0.59 0.10 0.00 -0.53 0.00 0.00 54.79 55.07 3ihy n ASP 362 Cb 0.39 -0.73 0.10 0.00 -0.64 0.00 0.00 41.12 40.24 3ihy n ASP 362 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3ihy h SER 363 N 0.00 0.00 -0.29 -2.24 4.64 -0.49 -3.04 113.55 112.13 3ihy h SER 363 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3ihy h SER 363 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3ihy h SER 363 CO 0.00 0.10 0.22 -0.07 -0.87 0.00 0.00 176.83 176.20 3ihy h LEU 364 N 0.00 0.00 -1.36 5.97 3.38 -1.49 -2.14 115.31 119.68 3ihy h LEU 364 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ihy h LEU 364 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3ihy h LEU 364 CO 0.01 0.00 -0.12 -0.08 0.09 0.00 0.00 178.44 178.34 3ihy h GLU 365 N 0.00 0.28 0.00 1.13 4.81 -1.70 -2.83 114.58 116.27 3ihy h GLU 365 Ca 0.14 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3ihy h GLU 365 Cb 0.57 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3ihy h GLU 365 CO -0.00 0.41 -0.00 1.28 -0.73 0.00 0.00 179.01 179.97 3ihy n LEU 366 N -4.27 0.06 -0.87 1.64 4.32 -0.80 -3.52 117.00 113.55 3ihy n LEU 366 Ca -0.00 0.50 0.12 0.00 -0.02 0.00 0.00 56.01 56.61 3ihy n LEU 366 Cb 0.27 -0.49 0.25 0.00 -1.62 0.00 0.00 43.42 41.84 3ihy n LEU 366 CO 0.38 -0.01 0.72 0.18 -1.22 0.00 0.00 177.39 177.44 3ihy n LEU 367 N -1.55 2.65 -4.86 2.23 4.77 -1.07 -4.57 117.00 114.61 3ihy n LEU 367 Ca 0.07 -1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 54.74 3ihy n LEU 367 Cb 0.35 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 3ihy n LEU 367 CO 0.27 0.50 0.74 -0.94 -1.33 0.00 0.00 177.39 176.64 3ihy s SER 368 N -1.78 4.97 0.62 -1.43 1.04 -1.23 -4.82 113.70 111.07 3ihy s SER 368 Ca 0.34 1.14 0.28 0.00 0.48 0.00 0.00 55.95 58.19 3ihy s SER 368 Cb 0.21 -1.88 1.43 0.00 0.10 0.00 0.00 66.02 65.88 3ihy s SER 368 CO 0.31 -1.64 1.83 0.77 0.98 0.00 0.00 173.24 175.49 3ihy h SER 369 N -0.87 0.00 0.40 7.02 4.64 -1.92 -2.85 113.55 119.98 3ihy h SER 369 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 3ihy h SER 369 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ihy h SER 369 CO 0.63 0.00 -0.15 0.45 -0.87 0.00 0.00 176.83 176.88 3ihy h HIS 370 N 0.00 0.00 -3.32 4.77 3.86 -1.92 -3.41 115.15 115.13 3ihy h HIS 370 Ca 0.14 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.70 3ihy h HIS 370 Cb 1.12 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.32 3ihy h HIS 370 CO 0.00 0.15 -0.76 0.71 0.86 0.00 0.00 177.93 178.89 3ihy s TYR 371 N -4.19 2.83 0.00 2.45 2.02 -1.08 -4.98 117.35 114.41 3ihy s TYR 371 Ca -0.03 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 3ihy s TYR 371 Cb 0.13 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3ihy s TYR 371 CO 0.61 -0.25 0.00 0.25 -1.57 0.00 0.00 175.55 174.59 3ihy n THR 372 N 3.64 0.00 -1.70 -0.71 -2.24 -1.26 -4.83 114.28 107.18 3ihy n THR 372 Ca -0.18 -0.34 -0.53 0.00 -2.27 0.00 0.00 64.05 60.72 3ihy n THR 372 Cb 0.52 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.72 2.86 -0.20 3.42 2.85 -1.26 -4.91 115.26 117.29 3ihy n ASN 373 Ca 0.00 1.03 -0.03 0.00 -0.11 0.00 0.00 54.58 55.47 3ihy n ASN 373 Cb 0.00 -1.24 0.08 0.00 1.24 0.00 0.00 39.78 39.85 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 8.08 0.59 -0.21 1.20 0.11 -2.00 -2.40 132.00 137.37 3ihy h PRO 374 Ca -0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3ihy h PRO 374 Cb 1.30 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ihy h PRO 374 CO 0.95 0.39 -0.27 1.15 -0.21 0.00 0.00 178.00 180.01 3ihy h THR 375 N 0.61 1.26 -0.31 -1.15 2.02 -1.98 -2.25 112.91 111.11 3ihy h THR 375 Ca 0.27 -1.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 3ihy h THR 375 Cb 0.16 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3ihy h THR 375 CO -0.17 0.39 -0.03 0.58 0.37 0.00 0.00 175.52 176.66 3ihy h VAL 376 N 0.35 1.27 0.10 3.16 2.07 -1.86 -0.83 116.25 120.50 3ihy h VAL 376 Ca 0.05 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3ihy h VAL 376 Cb 0.66 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3ihy h VAL 376 CO 0.05 0.33 -0.05 0.03 0.02 0.00 0.00 177.57 177.95 3ihy h ARG 377 N 0.36 -0.13 -0.76 1.57 2.47 -1.37 -1.51 114.38 115.01 3ihy h ARG 377 Ca 0.08 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 3ihy h ARG 377 Cb 0.50 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.80 3ihy h ARG 377 CO 0.02 -0.08 0.49 0.00 0.56 0.00 0.00 179.97 180.95 3ihy h ARG 378 N -0.13 0.93 -0.48 0.04 3.08 -1.37 0.41 114.38 116.85 3ihy h ARG 378 Ca -0.01 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.08 3ihy h ARG 378 Cb 0.10 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 29.86 3ihy h ARG 378 CO 0.02 0.61 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.61 3ihy h TYR 379 N 0.95 -0.04 -0.68 3.04 3.20 -1.05 -0.85 116.97 121.55 3ihy h TYR 379 Ca 0.30 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.33 3ihy h TYR 379 Cb -0.00 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 3ihy h TYR 379 CO -0.03 -0.11 0.24 0.00 -1.64 0.00 0.00 178.16 176.62 3ihy h ALA 380 N 1.43 0.89 0.00 1.82 0.00 0.10 -0.87 119.26 122.64 3ihy h ALA 380 Ca 0.24 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3ihy h ALA 380 Cb 0.36 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ihy h ALA 380 CO -0.41 -0.22 -0.11 0.28 0.00 0.00 0.00 179.25 178.80 3ihy h VAL 381 N 0.40 0.26 0.02 0.00 2.07 -0.64 -0.42 116.25 117.94 3ihy h VAL 381 Ca 0.36 -0.85 -0.24 0.00 0.82 0.00 0.00 66.70 66.79 3ihy h VAL 381 Cb 0.50 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3ihy h VAL 381 CO -0.37 0.11 -1.17 0.00 0.02 0.00 0.00 177.57 176.15 3ihy h ALA 382 N 1.89 0.38 0.00 1.67 0.00 0.16 -2.63 119.26 120.73 3ihy h ALA 382 Ca -0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 54.91 53.70 3ihy h ALA 382 Cb 0.67 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3ihy h ALA 382 CO 0.01 1.26 -1.27 0.00 0.00 0.00 0.00 179.25 179.26 3ihy h ARG 383 N 0.01 0.00 -0.54 0.00 2.47 -1.12 -3.24 114.38 111.95 3ihy h ARG 383 Ca -0.08 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 3ihy h ARG 383 Cb 1.85 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.14 3ihy h ARG 383 CO 0.13 0.51 0.08 1.25 0.56 0.00 0.00 179.97 182.51 3ihy h LEU 384 N 0.00 0.82 -2.24 3.04 6.46 -1.12 -3.13 115.31 119.13 3ihy h LEU 384 Ca -0.14 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.44 3ihy h LEU 384 Cb 1.71 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.42 3ihy h LEU 384 CO 0.07 0.84 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.62 3ihy h ARG 385 N 0.82 0.00 -0.07 1.25 2.43 -1.49 -2.21 114.38 115.11 3ihy h ARG 385 Ca 0.17 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.15 3ihy h ARG 385 Cb 0.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3ihy h ARG 385 CO 0.01 0.02 -0.76 1.96 -1.51 0.00 0.00 179.97 179.69 3ihy h GLN 386 N 0.00 0.41 -6.56 0.20 1.08 -1.65 -3.44 115.11 105.15 3ihy h GLN 386 Ca -0.00 -0.35 -0.58 0.00 -1.45 0.00 0.00 58.65 56.27 3ihy h GLN 386 Cb 0.05 0.08 0.17 0.00 -0.05 0.00 0.00 27.48 27.73 3ihy h GLN 386 CO 0.00 1.00 -0.27 0.00 -0.95 0.00 0.00 178.83 178.61 3ihy n ALA 387 N -2.52 -0.86 -2.01 3.87 0.00 -0.83 -5.01 120.51 113.16 3ihy n ALA 387 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 3ihy n ALA 387 Cb 0.73 -1.89 0.08 0.00 0.00 0.00 0.00 19.45 18.37 3ihy n ALA 387 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ihy s ASP 388 N -1.16 4.71 0.11 0.00 -4.77 -1.26 -4.85 116.67 109.45 3ihy s ASP 388 Ca 0.70 -0.49 -0.22 0.00 -3.30 0.00 0.00 52.55 49.23 3ihy s ASP 388 Cb -0.45 -0.01 -0.08 0.00 -1.09 0.00 0.00 42.92 41.29 3ihy s ASP 388 CO 0.53 -1.60 1.71 0.44 0.70 0.00 0.00 175.17 176.96 3ihy h ASP 389 N -0.21 -0.16 -0.62 2.11 3.32 -1.96 0.69 116.42 119.60 3ihy h ASP 389 Ca -0.35 0.04 0.10 0.00 0.02 0.00 0.00 57.03 56.84 3ihy h ASP 389 Cb 1.28 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.83 3ihy h ASP 389 CO 0.41 -0.07 0.20 -0.08 -1.72 0.00 0.00 179.24 177.98 3ihy h GLU 390 N -0.05 0.35 -0.02 3.56 4.81 -1.99 -0.10 114.58 121.14 3ihy h GLU 390 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3ihy h GLU 390 Cb 0.12 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3ihy h GLU 390 CO -0.11 0.23 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.92 3ihy h ASP 391 N 0.36 0.06 -1.07 1.04 3.32 -1.89 -3.01 116.42 115.23 3ihy h ASP 391 Ca 0.32 -0.58 0.29 0.00 0.02 0.00 0.00 57.03 57.07 3ihy h ASP 391 Cb 0.43 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 39.86 3ihy h ASP 391 CO -0.35 0.63 0.68 0.25 -1.72 0.00 0.00 179.24 178.74 3ihy h LEU 392 N -0.51 0.44 -0.97 1.55 5.85 -0.66 0.14 115.31 121.16 3ihy h LEU 392 Ca 0.00 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3ihy h LEU 392 Cb 0.62 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3ihy h LEU 392 CO 0.01 0.05 -0.07 0.25 -0.34 0.00 0.00 178.44 178.34 3ihy h LEU 393 N 0.37 0.65 -1.88 2.25 6.46 -0.88 -2.13 115.31 120.13 3ihy h LEU 393 Ca 0.63 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 58.20 3ihy h LEU 393 Cb 1.62 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.37 3ihy h LEU 393 CO -0.34 0.76 -0.13 0.24 -0.62 0.00 0.00 178.44 178.36 3ihy h MET 394 N 0.62 0.00 -0.26 1.25 2.86 -0.87 -3.04 114.93 115.49 3ihy h MET 394 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3ihy h MET 394 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3ihy h MET 394 CO 0.03 0.13 0.00 0.66 1.06 0.00 0.00 176.91 178.78 3ihy n TYR 395 N -3.96 0.33 -0.18 -0.22 4.01 -0.93 -4.71 117.16 111.50 3ihy n TYR 395 Ca -0.02 -0.21 -0.08 0.00 -0.16 0.00 0.00 57.90 57.42 3ihy n TYR 395 Cb 0.22 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.25 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 3.50 0.73 0.05 7.72 5.85 -1.28 -1.25 115.31 130.62 3ihy h LEU 396 Ca 0.00 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3ihy h LEU 396 Cb 0.82 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3ihy h LEU 396 CO 0.00 0.73 -0.38 0.25 -0.34 0.00 0.00 178.44 178.70 3ihy h LEU 397 N 0.70 -1.12 -1.45 2.25 5.85 -1.84 -1.34 115.31 118.36 3ihy h LEU 397 Ca 0.17 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3ihy h LEU 397 Cb 0.24 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3ihy h LEU 397 CO -0.01 -0.44 0.20 1.56 -0.34 0.00 0.00 178.44 179.41 3ihy h GLN 398 N -0.56 0.57 -0.03 1.25 7.50 -1.89 -2.89 115.11 119.07 3ihy h GLN 398 Ca 0.04 -0.06 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 3ihy h GLN 398 Cb 0.62 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 3ihy h GLN 398 CO -0.27 0.45 -0.52 -0.07 -1.50 0.00 0.00 178.83 176.92 3ihy h LEU 399 N 0.58 0.09 -0.84 1.46 3.38 -0.52 -0.04 115.31 119.41 3ihy h LEU 399 Ca 0.15 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3ihy h LEU 399 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3ihy h LEU 399 CO -0.02 0.59 -0.21 0.58 0.09 0.00 0.00 178.44 179.47 3ihy h VAL 400 N 0.06 1.26 0.00 1.22 2.07 -1.07 -2.61 116.25 117.19 3ihy h VAL 400 Ca -0.00 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.15 3ihy h VAL 400 Cb 0.95 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3ihy h VAL 400 CO 0.07 0.41 -0.53 1.56 0.02 0.00 0.00 177.57 179.11 3ihy h GLN 401 N 0.56 0.00 0.00 1.57 1.08 -1.34 -2.71 115.11 114.27 3ihy h GLN 401 Ca 0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3ihy h GLN 401 Cb 0.67 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3ihy h GLN 401 CO 0.05 0.53 -0.11 0.00 -0.95 0.00 0.00 178.83 178.35 3ihy h ALA 402 N 1.47 1.21 -0.26 3.87 0.00 -0.64 -2.95 119.26 121.97 3ihy h ALA 402 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3ihy h ALA 402 Cb 1.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3ihy h ALA 402 CO 0.07 0.14 0.25 -0.07 0.00 0.00 0.00 179.25 179.63 3ihy h LEU 403 N 0.00 0.00 -2.68 0.00 3.38 -1.24 0.65 115.31 115.42 3ihy h LEU 403 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ihy h LEU 403 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ihy h LEU 403 CO 0.01 0.00 0.04 0.11 0.09 0.00 0.00 178.44 178.70 3ihy h LYS 404 N 0.00 0.00 -0.26 1.13 1.57 -1.71 -1.85 116.57 115.44 3ihy h LYS 404 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ihy h LYS 404 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3ihy h LYS 404 CO -0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3ihy n TYR 405 N -2.95 0.34 -2.13 -1.35 4.01 0.22 -4.97 117.16 110.33 3ihy n TYR 405 Ca -0.03 -0.23 -0.27 0.00 -0.16 0.00 0.00 57.90 57.21 3ihy n TYR 405 Cb 0.11 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 39.21 3ihy n TYR 405 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ihy s GLU 406 N -1.24 2.05 -0.31 -0.72 0.41 -0.70 -4.95 118.70 113.24 3ihy s GLU 406 Ca 0.28 -0.20 -0.29 0.00 -0.41 0.00 0.00 54.97 54.35 3ihy s GLU 406 Cb 0.16 -2.11 0.01 0.00 -1.78 0.00 0.00 34.13 30.42 3ihy s GLU 406 CO 0.23 -1.39 1.12 1.21 -0.49 0.00 0.00 175.26 175.94 3ihy s ASN 407 N -4.56 6.89 0.41 -0.19 3.84 -1.26 -4.94 114.94 115.13 3ihy s ASN 407 Ca 0.61 1.10 0.17 0.00 0.21 0.00 0.00 52.86 54.95 3ihy s ASN 407 Cb -0.10 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 38.93 3ihy s ASN 407 CO 0.46 -0.91 1.87 -0.26 -2.79 0.00 0.00 177.10 175.46 3ihy h PHE 408 N 8.31 0.00 0.00 0.43 -1.00 -1.95 -2.03 116.94 120.70 3ihy h PHE 408 Ca -0.22 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.44 3ihy h PHE 408 Cb 1.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.61 3ihy h PHE 408 CO 0.84 0.31 -0.58 -0.44 -1.61 0.00 0.00 178.31 176.84 3ihy h ASP 409 N 0.00 0.00 -0.02 2.17 3.32 -1.99 -2.10 116.42 117.80 3ihy h ASP 409 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3ihy h ASP 409 Cb 0.63 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.18 3ihy h ASP 409 CO 0.04 0.58 -0.40 0.44 -1.72 0.00 0.00 179.24 178.18 3ihy h ASP 410 N 0.00 0.39 -0.28 6.45 3.32 -1.71 -1.49 116.42 123.11 3ihy h ASP 410 Ca -0.01 -0.73 0.02 0.00 0.02 0.00 0.00 57.03 56.33 3ihy h ASP 410 Cb 1.10 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3ihy h ASP 410 CO 0.08 1.07 0.19 0.40 -1.72 0.00 0.00 179.24 179.25 3ihy h ILE 411 N -0.25 1.02 0.12 0.35 2.04 -1.37 0.61 117.51 120.02 3ihy h ILE 411 Ca -0.04 -0.10 -0.27 0.00 1.00 0.00 0.00 64.86 65.45 3ihy h ILE 411 Cb 1.11 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3ihy h ILE 411 CO 0.08 0.05 -1.23 0.50 0.00 0.00 0.00 178.15 177.55 3ihy h LYS 412 N 0.28 0.26 0.00 2.37 3.64 -1.39 -3.43 116.57 118.31 3ihy h LYS 412 Ca 0.11 -0.44 -0.30 0.00 -1.27 0.00 0.00 60.65 58.75 3ihy h LYS 412 Cb 0.10 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 3ihy h LYS 412 CO -0.02 1.21 -2.04 0.09 -2.27 0.00 0.00 179.45 176.41 3ihy n ASN 413 N -3.52 1.80 0.00 4.20 3.02 -0.56 -5.07 115.26 115.12 3ihy n ASN 413 Ca -0.08 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3ihy n ASN 413 Cb 1.02 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3ihy n ASN 413 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihy n GLY 414 N 2.11 0.10 2.81 7.41 0.00 0.21 -5.05 105.19 112.77 3ihy n GLY 414 Ca -0.35 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 3ihy n GLY 414 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ihy n LEU 415 N 0.00 -7.07 -0.02 0.99 0.00 -1.26 -4.82 117.00 104.83 3ihy n LEU 415 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.29 3ihy n LEU 415 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 43.42 40.24 3ihy n LEU 415 CO 0.00 -1.74 0.00 0.18 0.00 0.00 0.00 177.39 175.83 3ihy n LEU 471 N -0.85 0.00 -0.56 -1.96 4.77 -1.26 -5.21 117.00 111.92 3ihy n LEU 471 Ca 0.07 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 3ihy n LEU 471 Cb 0.45 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.68 3ihy n LEU 471 CO 0.46 0.00 0.62 -1.84 -1.33 0.00 0.00 177.39 175.29 3ihy n GLU 472 N 0.00 2.88 -4.33 3.23 0.28 -1.26 -4.91 120.64 116.52 3ihy n GLU 472 Ca 0.00 -2.04 -0.18 0.00 -0.16 0.00 0.00 57.16 54.77 3ihy n GLU 472 Cb 0.00 -1.28 -0.14 0.00 1.43 0.00 0.00 31.44 31.45 3ihy n GLU 472 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3ihy s GLN 473 N -1.17 0.77 0.53 3.44 -0.21 -1.26 -5.06 119.66 116.70 3ihy s GLN 473 Ca 0.21 -0.49 0.07 0.00 0.02 0.00 0.00 55.36 55.18 3ihy s GLN 473 Cb 0.12 -0.73 0.05 0.00 1.00 0.00 0.00 33.01 33.45 3ihy s GLN 473 CO 0.13 0.19 0.55 0.16 -2.12 0.00 0.00 175.29 174.20 3ihy s ASP 474 N -0.62 4.90 0.46 5.90 -4.77 -1.26 -4.69 116.67 116.58 3ihy s ASP 474 Ca 0.01 -1.00 0.17 0.00 -3.30 0.00 0.00 52.55 48.43 3ihy s ASP 474 Cb -0.05 0.20 1.13 0.00 -1.09 0.00 0.00 42.92 43.10 3ihy s ASP 474 CO 0.00 -1.12 1.97 0.25 0.70 0.00 0.00 175.17 176.97 3ihy h LEU 475 N 0.57 0.28 0.15 2.11 5.85 -1.97 -2.02 115.31 120.29 3ihy h LEU 475 Ca -0.35 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.06 3ihy h LEU 475 Cb 1.29 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3ihy h LEU 475 CO 0.51 0.16 -1.64 0.00 -0.34 0.00 0.00 178.44 177.12 3ihy h THR 477 N -0.07 0.87 -0.11 0.00 2.02 -1.89 -2.65 112.91 111.08 3ihy h THR 477 Ca -0.34 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 66.85 3ihy h THR 477 Cb 1.95 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 3ihy h THR 477 CO 0.12 0.02 -0.12 0.15 0.37 0.00 0.00 175.52 176.05 3ihy h PHE 478 N 0.08 -0.29 -0.83 3.16 3.57 -1.48 -0.72 116.94 120.44 3ihy h PHE 478 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3ihy h PHE 478 Cb 0.11 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3ihy h PHE 478 CO -0.17 -0.18 0.37 -0.07 -2.23 0.00 0.00 178.31 176.04 3ihy h LEU 479 N -0.14 1.10 -0.35 0.59 3.38 -1.43 -0.27 115.31 118.18 3ihy h LEU 479 Ca 0.08 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3ihy h LEU 479 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ihy h LEU 479 CO -0.20 0.94 -0.13 0.40 0.09 0.00 0.00 178.44 179.55 3ihy h ILE 480 N 1.18 1.28 -0.10 1.22 2.04 -1.40 -2.17 117.51 119.57 3ihy h ILE 480 Ca 0.28 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3ihy h ILE 480 Cb 0.15 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3ihy h ILE 480 CO -0.03 0.40 0.07 -1.28 0.00 0.00 0.00 178.15 177.30 3ihy h SER 481 N 0.49 0.12 -0.58 1.72 0.87 -0.52 -1.66 113.55 113.99 3ihy h SER 481 Ca 0.08 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 3ihy h SER 481 Cb 0.65 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3ihy h SER 481 CO 0.04 0.11 -0.03 0.03 -0.53 0.00 0.00 176.83 176.45 3ihy h ARG 482 N 0.12 1.04 0.00 2.24 2.47 -1.12 -2.76 114.38 116.37 3ihy h ARG 482 Ca 0.04 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.40 3ihy h ARG 482 Cb 0.01 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3ihy h ARG 482 CO -0.01 1.04 -0.07 0.00 0.56 0.00 0.00 179.97 181.49 3ihy h ALA 483 N 0.97 1.31 0.00 0.04 0.00 -1.02 -0.87 119.26 119.68 3ihy h ALA 483 Ca 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ihy h ALA 483 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ihy h ALA 483 CO 0.03 0.09 -0.30 0.00 0.00 0.00 0.00 179.25 179.07 3ihy n LYS 485 N -3.44 1.32 -3.33 0.00 5.02 -0.36 -4.85 118.16 112.52 3ihy n LYS 485 Ca 0.00 -0.98 -0.10 0.00 -2.02 0.00 0.00 58.31 55.21 3ihy n LYS 485 Cb 0.48 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 3ihy n LYS 485 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ihy s ASN 486 N -2.35 0.46 0.53 4.39 3.84 -1.03 -5.03 114.94 115.75 3ihy s ASN 486 Ca 0.24 -0.21 0.25 0.00 0.21 0.00 0.00 52.86 53.35 3ihy s ASN 486 Cb 0.19 1.05 1.48 0.00 -0.55 0.00 0.00 41.25 43.42 3ihy s ASN 486 CO 0.49 -0.34 2.13 0.77 -2.79 0.00 0.00 177.10 177.35 3ihy h SER 487 N 8.18 0.00 -0.13 -4.21 4.64 -1.89 -0.59 113.55 119.55 3ihy h SER 487 Ca -0.13 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 3ihy h SER 487 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3ihy h SER 487 CO 0.27 0.08 -0.31 0.74 -0.87 0.00 0.00 176.83 176.75 3ihy h THR 488 N 0.00 1.37 -0.44 2.95 2.02 -1.96 -2.30 112.91 114.54 3ihy h THR 488 Ca -0.00 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.60 3ihy h THR 488 Cb 0.19 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3ihy h THR 488 CO 0.01 0.47 0.29 -0.07 0.37 0.00 0.00 175.52 176.59 3ihy h LEU 489 N 0.05 0.50 -1.24 2.58 3.38 -1.49 -2.37 115.31 116.71 3ihy h LEU 489 Ca -0.00 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3ihy h LEU 489 Cb 0.91 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 3ihy h LEU 489 CO 0.07 0.36 0.58 0.00 0.09 0.00 0.00 178.44 179.54 3ihy h ALA 490 N 1.17 1.79 0.10 1.53 0.00 -1.22 0.16 119.26 122.79 3ihy h ALA 490 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ihy h ALA 490 Cb -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ihy h ALA 490 CO -0.04 -0.03 -0.05 -0.97 0.00 0.00 0.00 179.25 178.16 3ihy h ASN 491 N 0.74 -0.11 -0.40 0.00 -1.24 -0.89 -1.57 115.58 112.10 3ihy h ASN 491 Ca 0.46 -0.31 -0.12 0.00 0.71 0.00 0.00 56.30 57.05 3ihy h ASN 491 Cb 0.70 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 3ihy h ASN 491 CO -0.22 0.26 -0.18 1.88 -1.29 0.00 0.00 177.43 177.88 3ihy h TYR 492 N -0.50 1.00 0.38 0.67 0.05 -1.40 -1.62 116.97 115.55 3ihy h TYR 492 Ca -0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 3ihy h TYR 492 Cb 0.41 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 3ihy h TYR 492 CO 0.04 0.99 -0.46 1.25 -1.05 0.00 0.00 178.16 178.93 3ihy h LEU 493 N 0.78 -1.30 -0.60 3.88 5.85 -1.00 0.14 115.31 123.06 3ihy h LEU 493 Ca 0.11 0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.07 3ihy h LEU 493 Cb 0.71 0.44 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 3ihy h LEU 493 CO 0.05 -0.58 0.02 0.22 -0.34 0.00 0.00 178.44 177.81 3ihy h TYR 494 N -0.86 -0.00 -0.31 1.25 5.03 -1.24 -0.42 116.97 120.42 3ihy h TYR 494 Ca -0.05 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 3ihy h TYR 494 Cb 0.77 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.13 3ihy h TYR 494 CO -0.28 -0.14 -0.40 -1.49 -1.32 0.00 0.00 178.16 174.53 3ihy h TRP 495 N 0.14 0.90 -0.33 -3.82 4.06 -1.22 -1.54 115.95 114.14 3ihy h TRP 495 Ca 0.31 -0.27 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 3ihy h TRP 495 Cb 0.50 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 3ihy h TRP 495 CO -0.34 1.03 -0.17 1.88 -3.56 0.00 0.00 178.44 177.28 3ihy h TYR 496 N 0.62 0.65 0.03 0.49 0.05 -0.29 -2.79 116.97 115.72 3ihy h TYR 496 Ca 0.05 -0.12 -0.22 0.00 0.05 0.00 0.00 58.73 58.49 3ihy h TYR 496 Cb 0.95 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 3ihy h TYR 496 CO 0.05 0.73 -1.06 0.28 -1.05 0.00 0.00 178.16 177.11 3ihy h VAL 497 N 0.53 1.66 0.15 -2.88 2.07 -1.04 -3.21 116.25 113.54 3ihy h VAL 497 Ca 0.09 -3.34 -0.01 0.00 0.82 0.00 0.00 66.70 64.26 3ihy h VAL 497 Cb 0.60 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3ihy h VAL 497 CO 0.04 0.96 -0.07 0.40 0.02 0.00 0.00 177.57 178.91 3ihy h ILE 498 N 0.02 0.96 -0.95 4.57 1.08 -1.22 -2.09 117.51 119.88 3ihy h ILE 498 Ca -0.04 -0.52 0.24 0.00 -0.39 0.00 0.00 64.86 64.14 3ihy h ILE 498 Cb 1.82 1.28 -0.07 0.00 -3.07 0.00 0.00 36.82 36.78 3ihy h ILE 498 CO 0.14 0.12 0.64 0.58 -0.69 0.00 0.00 178.15 178.94 3ihy h VAL 499 N -0.46 0.60 -0.32 1.67 2.07 -1.59 0.40 116.25 118.63 3ihy h VAL 499 Ca -0.02 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 3ihy h VAL 499 Cb 0.36 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3ihy h VAL 499 CO 0.03 0.06 -0.50 -0.33 0.02 0.00 0.00 177.57 176.85 3ihy h GLU 500 N 0.30 0.90 0.00 1.57 4.39 -1.51 -3.18 114.58 117.06 3ihy h GLU 500 Ca 0.50 -0.55 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 3ihy h GLU 500 Cb 1.41 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 3ihy h GLU 500 CO -0.16 1.19 -0.34 0.00 -1.16 0.00 0.00 179.01 178.53 3ihy n GLU 502 N -4.02 1.67 -2.96 0.00 1.02 -0.17 -4.81 120.64 111.37 3ihy n GLU 502 Ca -0.02 -1.02 -0.44 0.00 -0.02 0.00 0.00 57.16 55.67 3ihy n GLU 502 Cb 0.39 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.32 6.28 0.48 1.62 2.15 -1.15 -4.77 116.67 119.95 3ihy s ASP 503 Ca 0.27 -1.38 0.33 0.00 0.43 0.00 0.00 52.55 52.20 3ihy s ASP 503 Cb 0.14 -2.37 1.62 0.00 -0.30 0.00 0.00 42.92 42.01 3ihy s ASP 503 CO 0.21 -1.25 1.98 1.56 -0.17 0.00 0.00 175.17 177.50 3ihy h GLN 504 N 9.26 0.00 -0.09 4.34 4.20 -1.90 -1.53 115.11 129.40 3ihy h GLN 504 Ca -0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 3ihy h GLN 504 Cb 1.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 3ihy h GLN 504 CO 1.13 0.00 -0.00 0.22 -0.67 0.00 0.00 178.83 179.51 3ihy h ASP 505 N 0.00 0.15 -0.27 1.46 3.58 -1.98 -2.56 116.42 116.81 3ihy h ASP 505 Ca 0.00 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 3ihy h ASP 505 Cb 0.17 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3ihy h ASP 505 CO 0.00 0.43 0.00 0.74 -2.88 0.00 0.00 179.24 177.53 3ihy h THR 506 N -0.13 1.26 -0.29 2.25 2.02 -1.65 0.11 112.91 116.48 3ihy h THR 506 Ca 0.02 -0.92 0.07 0.00 0.77 0.00 0.00 66.41 66.36 3ihy h THR 506 Cb 0.35 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 68.01 3ihy h THR 506 CO 0.00 0.29 -0.31 -0.61 0.37 0.00 0.00 175.52 175.26 3ihy h GLN 507 N 0.25 -0.29 0.27 6.66 4.15 -1.38 -0.04 115.11 124.73 3ihy h GLN 507 Ca 0.08 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3ihy h GLN 507 Cb 0.42 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3ihy h GLN 507 CO 0.01 -0.19 -0.13 1.96 -1.93 0.00 0.00 178.83 178.55 3ihy h GLN 508 N -0.30 -0.35 -0.03 1.69 4.20 -1.41 -3.21 115.11 115.69 3ihy h GLN 508 Ca 0.14 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 3ihy h GLN 508 Cb 0.53 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3ihy h GLN 508 CO -0.45 -0.00 -0.29 0.00 -0.67 0.00 0.00 178.83 177.41 3ihy h ARG 509 N -0.89 0.25 -4.18 1.46 3.08 -0.66 -3.38 114.38 110.07 3ihy h ARG 509 Ca -0.04 -0.23 -0.62 0.00 0.07 0.00 0.00 59.98 59.16 3ihy h ARG 509 Cb 0.51 0.06 -0.40 0.00 0.08 0.00 0.00 29.97 30.22 3ihy h ARG 509 CO 0.06 0.91 -0.75 0.34 -1.07 0.00 0.00 179.97 179.46 3ihy s ASP 510 N -6.34 4.32 0.31 7.04 2.15 -0.04 -5.01 116.67 119.10 3ihy s ASP 510 Ca -0.15 -1.78 -0.01 0.00 0.43 0.00 0.00 52.55 51.04 3ihy s ASP 510 Cb 0.02 -1.25 0.49 0.00 -0.30 0.00 0.00 42.92 41.89 3ihy s ASP 510 CO 0.76 -0.37 1.95 -0.65 -0.17 0.00 0.00 175.17 176.69 3ihy h PRO 511 N 7.86 0.96 0.00 4.34 0.11 -1.56 -2.90 132.00 140.81 3ihy h PRO 511 Ca -0.10 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.85 3ihy h PRO 511 Cb 1.03 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3ihy h PRO 511 CO 0.48 0.67 -0.35 0.87 -0.21 0.00 0.00 178.00 179.47 3ihy h LYS 512 N 0.97 0.00 -0.17 1.05 1.57 -1.88 0.19 116.57 118.30 3ihy h LYS 512 Ca 0.25 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 3ihy h LYS 512 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3ihy h LYS 512 CO -0.05 0.35 -0.43 1.15 -0.57 0.00 0.00 179.45 179.90 3ihy h THR 513 N 0.00 1.34 -0.62 -0.16 2.02 -1.85 -1.73 112.91 111.91 3ihy h THR 513 Ca -0.00 -1.69 0.04 0.00 0.77 0.00 0.00 66.41 65.53 3ihy h THR 513 Cb 0.72 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 69.06 3ihy h THR 513 CO 0.05 0.52 0.36 -0.74 0.37 0.00 0.00 175.52 176.07 3ihy h HIS 514 N 0.24 0.67 -0.87 3.16 -0.00 -1.32 -2.26 115.15 114.76 3ihy h HIS 514 Ca -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3ihy h HIS 514 Cb 1.04 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 28.20 3ihy h HIS 514 CO 0.10 0.35 0.49 0.93 -0.00 0.00 0.00 177.93 179.80 3ihy h GLU 515 N 0.69 1.21 -0.96 5.26 5.08 -0.96 -2.14 114.58 122.76 3ihy h GLU 515 Ca 0.27 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3ihy h GLU 515 Cb 0.10 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 3ihy h GLU 515 CO -0.14 0.87 0.63 1.98 -1.00 0.00 0.00 179.01 181.36 3ihy h MET 516 N 1.22 1.27 -0.16 2.33 4.05 -0.94 -1.11 114.93 121.58 3ihy h MET 516 Ca 0.31 -0.08 -0.19 0.00 -0.28 0.00 0.00 59.70 59.46 3ihy h MET 516 Cb 0.01 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 30.52 3ihy h MET 516 CO -0.05 0.84 -0.67 1.88 0.23 0.00 0.00 176.91 179.14 3ihy h TYR 517 N 1.30 0.84 -0.29 1.39 0.05 -1.04 -1.24 116.97 117.98 3ihy h TYR 517 Ca 0.35 -0.34 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3ihy h TYR 517 Cb -0.15 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 3ihy h TYR 517 CO 0.00 1.13 0.05 -0.07 -1.05 0.00 0.00 178.16 178.22 3ihy h LEU 518 N 0.46 0.39 -0.78 3.88 3.38 -1.15 -1.54 115.31 119.95 3ihy h LEU 518 Ca -0.02 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3ihy h LEU 518 Cb 1.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3ihy h LEU 518 CO 0.13 0.42 -0.51 0.78 0.09 0.00 0.00 178.44 179.35 3ihy h ASN 519 N 0.42 0.26 0.66 -0.43 2.35 -0.77 -1.45 115.58 116.63 3ihy h ASN 519 Ca 0.10 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3ihy h ASN 519 Cb 0.20 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.51 3ihy h ASN 519 CO -0.00 0.73 -0.32 0.58 -1.65 0.00 0.00 177.43 176.77 3ihy h VAL 520 N 0.19 0.31 -0.98 2.81 2.07 -0.60 -0.15 116.25 119.89 3ihy h VAL 520 Ca 0.01 -0.13 0.19 0.00 0.82 0.00 0.00 66.70 67.59 3ihy h VAL 520 Cb 0.97 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 3ihy h VAL 520 CO 0.08 0.02 0.61 -0.03 0.02 0.00 0.00 177.57 178.27 3ihy h MET 521 N -0.98 0.67 0.24 1.57 1.85 -1.19 0.60 114.93 117.69 3ihy h MET 521 Ca -0.09 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.95 3ihy h MET 521 Cb 0.71 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.59 3ihy h MET 521 CO 0.15 0.45 -0.11 -0.09 -0.40 0.00 0.00 176.91 176.90 3ihy h ARG 522 N 0.70 -0.31 -0.81 0.39 2.43 -1.15 0.00 114.38 115.64 3ihy h ARG 522 Ca 0.55 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.92 3ihy h ARG 522 Cb 0.94 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.45 3ihy h ARG 522 CO -0.32 0.06 0.28 0.00 -1.51 0.00 0.00 179.97 178.48 3ihy h ARG 523 N -0.79 0.35 0.55 0.20 2.47 0.03 0.38 114.38 117.56 3ihy h ARG 523 Ca -0.03 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3ihy h ARG 523 Cb 0.51 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3ihy h ARG 523 CO 0.05 0.23 -0.26 0.35 0.56 0.00 0.00 179.97 180.90 3ihy h PHE 524 N 0.36 -0.68 -0.96 3.04 3.57 0.20 0.06 116.94 122.52 3ihy h PHE 524 Ca 0.47 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 62.09 3ihy h PHE 524 Cb 0.83 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 3ihy h PHE 524 CO -0.20 -0.35 0.57 1.03 -2.23 0.00 0.00 178.31 177.13 3ihy h SER 525 N -1.00 0.80 1.90 0.41 0.87 -0.51 -1.83 113.55 114.18 3ihy h SER 525 Ca -0.07 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3ihy h SER 525 Cb 0.63 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3ihy h SER 525 CO 0.12 0.38 -0.02 0.06 -0.53 0.00 0.00 176.83 176.84 3ihy h GLN 526 N 0.85 0.00 -0.09 2.24 3.07 -0.18 -3.10 115.11 117.91 3ihy h GLN 526 Ca 0.50 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.17 3ihy h GLN 526 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 3ihy h GLN 526 CO -0.31 0.00 -0.22 0.00 0.09 0.00 0.00 178.83 178.40 3ihy h ALA 527 N 2.08 0.14 -0.10 0.06 0.00 -0.27 -3.20 119.26 117.97 3ihy h ALA 527 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3ihy h ALA 527 Cb 0.96 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ihy h ALA 527 CO 0.00 0.10 0.10 -0.07 0.00 0.00 0.00 179.25 179.39 3ihy h LEU 528 N -0.17 0.00 -0.65 0.00 3.38 -1.37 -1.69 115.31 114.81 3ihy h LEU 528 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ihy h LEU 528 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ihy h LEU 528 CO 0.05 0.00 -0.29 -0.11 0.09 0.00 0.00 178.44 178.18 3ihy n LEU 529 N -3.94 1.30 0.07 1.67 7.94 -1.17 -2.95 117.00 119.91 3ihy n LEU 529 Ca -0.00 -0.40 0.12 0.00 -1.11 0.00 0.00 56.01 54.62 3ihy n LEU 529 Cb 0.21 -0.09 0.10 0.00 0.53 0.00 0.00 43.42 44.17 3ihy n LEU 529 CO 0.29 0.24 0.20 0.50 -1.11 0.00 0.00 177.39 177.51 3ihy h LYS 530 N 1.58 0.00 0.00 1.96 3.64 -1.30 -3.48 116.57 118.97 3ihy h LYS 530 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 3ihy h LYS 530 Cb 0.57 0.00 0.12 0.00 -0.41 0.00 0.00 32.23 32.50 3ihy h LYS 530 CO 0.00 0.00 0.27 0.41 -2.27 0.00 0.00 179.45 177.86 3ihy n GLY 531 N 1.28 -1.09 3.93 5.01 0.00 -1.15 -5.08 105.19 108.09 3ihy n GLY 531 Ca 0.02 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 3ihy n GLY 531 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ihy s ASP 532 N -4.37 5.08 0.12 1.61 -4.77 -1.26 -4.64 116.67 108.44 3ihy s ASP 532 Ca 0.53 0.46 -0.06 0.00 -3.30 0.00 0.00 52.55 50.17 3ihy s ASP 532 Cb -0.02 -1.23 0.17 0.00 -1.09 0.00 0.00 42.92 40.75 3ihy s ASP 532 CO 0.37 -1.40 0.75 1.17 0.70 0.00 0.00 175.17 176.76 3ihy n LYS 533 N -2.75 -0.08 0.17 2.11 3.00 -1.26 0.87 118.16 120.22 3ihy n LYS 533 Ca 0.07 0.75 0.02 0.00 -0.00 0.00 0.00 58.31 59.15 3ihy n LYS 533 Cb 0.60 -1.11 0.30 0.00 0.00 0.00 0.00 35.03 34.81 3ihy n LYS 533 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ihy h SER 534 N 0.00 0.00 -0.17 3.14 4.64 -1.98 0.21 113.55 119.38 3ihy h SER 534 Ca 0.20 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.34 3ihy h SER 534 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3ihy h SER 534 CO -0.49 0.45 -0.57 0.58 -0.87 0.00 0.00 176.83 175.94 3ihy h VAL 535 N 0.00 1.29 -0.15 0.95 2.07 0.17 -2.81 116.25 117.78 3ihy h VAL 535 Ca -0.00 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.72 3ihy h VAL 535 Cb 0.87 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3ihy h VAL 535 CO 0.06 0.57 0.01 0.03 0.02 0.00 0.00 177.57 178.26 3ihy h ARG 536 N 0.59 0.25 -0.51 1.57 3.08 -1.23 -2.17 114.38 115.96 3ihy h ARG 536 Ca 0.01 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3ihy h ARG 536 Cb 1.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3ihy h ARG 536 CO 0.12 0.46 0.10 0.28 -1.07 0.00 0.00 179.97 179.86 3ihy h VAL 537 N 0.01 1.22 -0.67 2.04 2.07 -0.66 -0.65 116.25 119.61 3ihy h VAL 537 Ca 0.04 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3ihy h VAL 537 Cb 0.34 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3ihy h VAL 537 CO 0.01 0.30 0.43 -0.03 0.02 0.00 0.00 177.57 178.30 3ihy h MET 538 N 0.75 0.84 -0.64 1.57 1.85 -1.51 -2.47 114.93 115.33 3ihy h MET 538 Ca 0.16 -0.05 0.10 0.00 -0.61 0.00 0.00 59.70 59.31 3ihy h MET 538 Cb 0.31 -0.19 -0.08 0.00 0.43 0.00 0.00 31.60 32.07 3ihy h MET 538 CO 0.00 0.55 0.24 -0.09 -0.40 0.00 0.00 176.91 177.22 3ihy h ARG 539 N 0.86 0.41 0.00 0.39 2.43 -0.44 -2.02 114.38 116.01 3ihy h ARG 539 Ca 0.25 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3ihy h ARG 539 Cb -0.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3ihy h ARG 539 CO -0.08 0.27 -0.42 0.66 -1.51 0.00 0.00 179.97 178.89 3ihy h SER 540 N 0.42 0.00 0.13 -3.80 4.64 -1.25 -1.86 113.55 111.82 3ihy h SER 540 Ca 0.33 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.61 3ihy h SER 540 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3ihy h SER 540 CO -0.33 0.42 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.82 3ihy h LEU 541 N 0.00 0.08 -0.31 5.97 3.38 -0.92 0.37 115.31 123.89 3ihy h LEU 541 Ca -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3ihy h LEU 541 Cb 1.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3ihy h LEU 541 CO 0.06 0.26 -0.05 -0.07 0.09 0.00 0.00 178.44 178.72 3ihy h LEU 542 N 0.09 0.58 -0.79 1.67 3.38 -0.84 -1.27 115.31 118.13 3ihy h LEU 542 Ca 0.02 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.68 3ihy h LEU 542 Cb 0.35 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3ihy h LEU 542 CO 0.02 0.79 0.49 0.00 0.09 0.00 0.00 178.44 179.83 3ihy h ALA 543 N 0.81 1.05 -0.35 1.53 0.00 -0.92 -2.11 119.26 119.27 3ihy h ALA 543 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ihy h ALA 543 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3ihy h ALA 543 CO 0.03 0.25 0.17 0.00 0.00 0.00 0.00 179.25 179.69 3ihy h ALA 544 N 1.36 0.43 -0.58 0.00 0.00 -0.00 -1.57 119.26 118.89 3ihy h ALA 544 Ca 0.33 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3ihy h ALA 544 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ihy h ALA 544 CO -0.15 -0.20 0.38 1.96 0.00 0.00 0.00 179.25 181.24 3ihy h GLN 545 N 0.35 0.74 -0.60 0.00 4.20 -1.02 -2.04 115.11 116.75 3ihy h GLN 545 Ca 0.15 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3ihy h GLN 545 Cb 0.07 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3ihy h GLN 545 CO -0.11 0.49 0.40 0.37 -0.67 0.00 0.00 178.83 179.31 3ihy h GLN 546 N 0.76 0.77 0.03 1.46 5.75 -0.61 0.17 115.11 123.43 3ihy h GLN 546 Ca 0.22 -0.05 -0.25 0.00 -0.15 0.00 0.00 58.65 58.42 3ihy h GLN 546 Cb -0.05 -0.17 0.02 0.00 1.07 0.00 0.00 27.48 28.34 3ihy h GLN 546 CO -0.06 0.51 -1.01 1.15 -2.65 0.00 0.00 178.83 176.77 3ihy h THR 547 N 0.79 1.31 -0.75 2.39 2.02 -1.27 -2.28 112.91 115.12 3ihy h THR 547 Ca 0.22 -2.27 0.04 0.00 0.77 0.00 0.00 66.41 65.18 3ihy h THR 547 Cb -0.06 2.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 3ihy h THR 547 CO -0.05 0.69 0.46 0.15 0.37 0.00 0.00 175.52 177.14 3ihy h PHE 548 N 0.27 0.85 -0.22 3.16 3.04 -0.51 0.17 116.94 123.70 3ihy h PHE 548 Ca -0.13 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.80 3ihy h PHE 548 Cb 1.68 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.91 3ihy h PHE 548 CO 0.12 0.46 -0.03 0.28 -2.02 0.00 0.00 178.31 177.12 3ihy h VAL 549 N 0.87 1.27 -0.55 1.41 2.07 -0.78 -1.80 116.25 118.74 3ihy h VAL 549 Ca 0.31 -0.98 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3ihy h VAL 549 Cb 0.09 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3ihy h VAL 549 CO -0.14 0.30 0.20 0.44 0.02 0.00 0.00 177.57 178.39 3ihy h ASP 550 N 0.14 0.20 -0.59 0.57 3.32 -0.95 -0.27 116.42 118.85 3ihy h ASP 550 Ca 0.06 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3ihy h ASP 550 Cb 0.46 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3ihy h ASP 550 CO 0.02 0.13 0.25 0.03 -1.72 0.00 0.00 179.24 177.96 3ihy h ARG 551 N 0.38 0.90 -0.74 3.56 3.08 -0.63 -2.18 114.38 118.75 3ihy h ARG 551 Ca 0.27 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3ihy h ARG 551 Cb 0.31 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3ihy h ARG 551 CO -0.27 0.73 0.38 1.25 -1.07 0.00 0.00 179.97 180.99 3ihy h LEU 552 N 0.89 0.95 -0.56 3.04 5.85 -0.31 -1.22 115.31 123.95 3ihy h LEU 552 Ca 0.21 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3ihy h LEU 552 Cb 0.16 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3ihy h LEU 552 CO -0.02 0.80 0.33 0.58 -0.34 0.00 0.00 178.44 179.79 3ihy h VAL 553 N 1.04 1.17 -0.88 1.05 2.07 -0.68 0.16 116.25 120.18 3ihy h VAL 553 Ca 0.26 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.45 3ihy h VAL 553 Cb 0.08 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 3ihy h VAL 553 CO -0.04 0.18 0.55 -0.74 0.02 0.00 0.00 177.57 177.54 3ihy h HIS 554 N 0.75 1.01 -0.31 1.57 -0.00 -1.20 0.37 115.15 117.34 3ihy h HIS 554 Ca 0.20 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.44 3ihy h HIS 554 Cb -0.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 3ihy h HIS 554 CO -0.02 0.50 -0.43 1.25 -0.00 0.00 0.00 177.93 179.23 3ihy h LEU 555 N 0.98 0.83 0.01 0.26 6.46 -0.29 -1.88 115.31 121.68 3ihy h LEU 555 Ca 0.39 -0.40 -0.27 0.00 -0.12 0.00 0.00 57.88 57.48 3ihy h LEU 555 Cb 0.19 -0.24 0.02 0.00 -0.73 0.00 0.00 40.66 39.91 3ihy h LEU 555 CO -0.18 1.15 -1.09 0.24 -0.62 0.00 0.00 178.44 177.93 3ihy h MET 556 N 0.62 0.64 -0.79 1.25 2.86 -0.62 -2.51 114.93 116.38 3ihy h MET 556 Ca 0.04 -0.74 0.16 0.00 -2.06 0.00 0.00 59.70 57.11 3ihy h MET 556 Cb 1.00 0.22 -0.10 0.00 0.06 0.00 0.00 31.60 32.77 3ihy h MET 556 CO 0.10 1.32 0.31 0.87 1.06 0.00 0.00 176.91 180.56 3ihy h LYS 557 N 0.34 0.41 0.06 1.72 1.57 -0.20 0.13 116.57 120.60 3ihy h LYS 557 Ca -0.14 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3ihy h LYS 557 Cb 1.75 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.97 3ihy h LYS 557 CO 0.21 0.27 -0.03 0.00 -0.57 0.00 0.00 179.45 179.33 3ihy h ALA 558 N 1.59 -0.08 -0.35 3.86 0.00 -1.33 -2.09 119.26 120.87 3ihy h ALA 558 Ca 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ihy h ALA 558 Cb 0.73 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ihy h ALA 558 CO -0.45 -0.30 0.17 0.28 0.00 0.00 0.00 179.25 178.96 3ihy h VAL 559 N -0.57 1.16 0.00 0.00 2.07 -1.30 -1.20 116.25 116.41 3ihy h VAL 559 Ca -0.01 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3ihy h VAL 559 Cb 0.50 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ihy h VAL 559 CO 0.01 0.17 -0.38 1.56 0.02 0.00 0.00 177.57 178.95 3ihy h GLN 560 N 0.43 0.00 -0.32 1.57 4.20 -0.80 -3.10 115.11 117.08 3ihy h GLN 560 Ca 0.12 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3ihy h GLN 560 Cb 0.11 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3ihy h GLN 560 CO -0.02 0.38 0.01 0.54 -0.67 0.00 0.00 178.83 179.08 3ihy n ARG 561 N -4.05 2.75 -3.56 1.46 1.74 -0.78 -4.90 116.66 109.32 3ihy n ARG 561 Ca -0.02 -2.94 -0.39 0.00 -0.77 0.00 0.00 57.85 53.74 3ihy n ARG 561 Cb 0.42 -1.87 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 3ihy n ARG 561 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3ihy s GLU 562 N -2.94 3.85 0.52 5.56 2.12 -0.47 -4.97 118.70 122.37 3ihy s GLU 562 Ca 0.44 -0.37 -0.22 0.00 0.36 0.00 0.00 54.97 55.18 3ihy s GLU 562 Cb 0.36 -3.69 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 3ihy s GLU 562 CO 0.07 -0.25 1.25 -1.54 -0.54 0.00 0.00 175.26 174.26 3ihy s SER 563 N 1.75 5.64 0.00 -1.70 1.04 -1.26 -4.88 113.70 114.29 3ihy s SER 563 Ca 0.07 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.01 3ihy s SER 563 Cb -0.16 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3ihy s SER 563 CO 0.11 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.64 3ihy n GLY 564 N 0.57 3.34 3.79 7.32 0.00 -1.26 -4.94 105.19 114.01 3ihy n GLY 564 Ca 0.10 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 3ihy n GLY 564 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihy s ASN 565 N 0.00 4.19 0.53 1.61 2.20 -1.26 -4.78 114.94 117.43 3ihy s ASN 565 Ca 0.00 1.29 0.20 0.00 -0.94 0.00 0.00 52.86 53.41 3ihy s ASN 565 Cb 0.00 -2.00 1.38 0.00 -2.00 0.00 0.00 41.25 38.63 3ihy s ASN 565 CO 0.00 -2.16 2.15 0.03 -2.94 0.00 0.00 177.10 174.18 3ihy h ARG 566 N -1.22 0.00 -0.78 3.55 3.08 -1.99 0.32 114.38 117.34 3ihy h ARG 566 Ca -0.48 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.65 3ihy h ARG 566 Cb 1.28 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.26 3ihy h ARG 566 CO 0.59 0.03 0.45 -0.22 -1.07 0.00 0.00 179.97 179.75 3ihy h LYS 567 N 0.00 0.76 0.00 0.04 3.64 -1.98 0.53 116.57 119.55 3ihy h LYS 567 Ca -0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 3ihy h LYS 567 Cb 0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3ihy h LYS 567 CO 0.00 0.50 -0.56 0.87 -2.27 0.00 0.00 179.45 178.00 3ihy h LYS 568 N 0.78 0.00 0.14 1.90 1.79 -1.34 -1.28 116.57 118.56 3ihy h LYS 568 Ca 0.36 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.83 3ihy h LYS 568 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3ihy h LYS 568 CO -0.22 0.24 -0.07 0.87 -1.08 0.00 0.00 179.45 179.19 3ihy h LYS 569 N 0.00 -0.19 -0.98 3.15 1.57 -1.06 -2.48 116.57 116.58 3ihy h LYS 569 Ca -0.03 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.04 3ihy h LYS 569 Cb 1.24 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.46 3ihy h LYS 569 CO 0.03 0.27 0.54 -0.91 -0.57 0.00 0.00 179.45 178.80 3ihy h ASN 570 N -0.83 0.53 -0.30 0.86 4.21 -0.94 -1.33 115.58 117.77 3ihy h ASN 570 Ca -0.02 0.16 -0.06 0.00 1.21 0.00 0.00 56.30 57.59 3ihy h ASN 570 Cb 0.54 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 3ihy h ASN 570 CO 0.03 -0.02 -0.04 -0.33 -1.29 0.00 0.00 177.43 175.78 3ihy h GLU 571 N 0.44 0.57 -0.25 0.81 5.08 -1.23 -3.16 114.58 116.84 3ihy h GLU 571 Ca 0.66 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.71 3ihy h GLU 571 Cb 1.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3ihy h GLU 571 CO -0.54 0.74 -0.32 -0.09 -1.00 0.00 0.00 179.01 177.80 3ihy h ARG 572 N 0.34 0.52 -0.75 2.33 9.65 -0.95 -1.27 114.38 124.26 3ihy h ARG 572 Ca 0.08 -0.23 0.15 0.00 -1.10 0.00 0.00 59.98 58.89 3ihy h ARG 572 Cb 0.51 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.97 3ihy h ARG 572 CO 0.02 0.78 0.26 1.25 2.80 0.00 0.00 179.97 185.08 3ihy h LEU 573 N 0.45 0.18 0.17 3.80 5.85 -1.23 -0.89 115.31 123.63 3ihy h LEU 573 Ca 0.05 0.13 -0.35 0.00 0.84 0.00 0.00 57.88 58.55 3ihy h LEU 573 Cb 0.78 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3ihy h LEU 573 CO 0.06 0.04 -1.76 1.56 -0.34 0.00 0.00 178.44 178.00 3ihy h GLN 574 N 0.37 0.35 -0.82 1.25 4.20 -1.49 -2.13 115.11 116.84 3ihy h GLN 574 Ca 0.42 -0.60 0.17 0.00 0.06 0.00 0.00 58.65 58.69 3ihy h GLN 574 Cb 0.68 0.22 -0.10 0.00 0.30 0.00 0.00 27.48 28.58 3ihy h GLN 574 CO -0.45 1.26 0.36 0.00 -0.67 0.00 0.00 178.83 179.33 3ihy h ALA 575 N 0.18 1.22 0.04 3.87 0.00 -1.11 0.21 119.26 123.67 3ihy h ALA 575 Ca -0.34 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ihy h ALA 575 Cb 2.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.96 3ihy h ALA 575 CO 0.16 -0.22 -0.02 -0.07 0.00 0.00 0.00 179.25 179.10 3ihy h LEU 576 N 0.47 -0.05 -1.38 0.00 4.07 -1.18 -2.37 115.31 114.88 3ihy h LEU 576 Ca 0.47 -0.61 0.13 0.00 0.08 0.00 0.00 57.88 57.94 3ihy h LEU 576 Cb 0.76 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 3ihy h LEU 576 CO -0.43 0.64 0.53 -0.07 -1.08 0.00 0.00 178.44 178.03 3ihy h LEU 577 N -0.79 0.59 -0.01 1.67 3.38 -1.23 0.15 115.31 119.07 3ihy h LEU 577 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 577 Cb 0.66 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ihy h LEU 577 CO 0.01 0.32 -0.16 0.61 0.09 0.00 0.00 178.44 179.31 3ihy n GLY 578 N -1.46 -1.39 2.79 0.83 0.00 0.73 -3.96 105.19 102.73 3ihy n GLY 578 Ca 0.15 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3ihy n GLY 578 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihy n ASP 579 N -1.47 5.82 0.25 1.61 -0.08 0.53 -4.78 116.55 118.42 3ihy n ASP 579 Ca 0.07 -3.15 0.14 0.00 -1.51 0.00 0.00 54.79 50.34 3ihy n ASP 579 Cb 0.33 -1.43 0.81 0.00 2.34 0.00 0.00 41.12 43.18 3ihy n ASP 579 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 3ihy h ASN 580 N 5.46 0.00 -0.37 1.67 -1.24 -1.72 -2.07 115.58 117.30 3ihy h ASN 580 Ca 0.44 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.43 3ihy h ASN 580 Cb 0.56 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 3ihy h ASN 580 CO 1.57 0.00 0.17 1.05 -1.29 0.00 0.00 177.43 178.93 3ihy h GLU 581 N 0.00 0.54 0.03 6.67 9.09 -1.92 -1.10 114.58 127.89 3ihy h GLU 581 Ca 0.04 -0.09 -0.31 0.00 0.05 0.00 0.00 59.36 59.05 3ihy h GLU 581 Cb 0.20 -0.10 -0.05 0.00 -1.65 0.00 0.00 28.75 27.16 3ihy h GLU 581 CO -0.00 0.50 -1.83 0.36 0.05 0.00 0.00 179.01 178.08 3ihy n LYS 582 N -4.70 0.66 -0.11 1.06 2.85 -1.15 -4.67 118.16 112.10 3ihy n LYS 582 Ca -0.00 0.27 -0.15 0.00 -1.05 0.00 0.00 58.31 57.37 3ihy n LYS 582 Cb 0.12 -1.75 -0.14 0.00 -0.65 0.00 0.00 35.03 32.61 3ihy n LYS 582 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3ihy n MET 583 N -3.12 0.67 -3.01 -1.58 2.81 -0.79 -5.02 117.12 107.09 3ihy n MET 583 Ca -0.22 0.11 -0.22 0.00 -1.81 0.00 0.00 57.70 55.56 3ihy n MET 583 Cb 1.06 -1.54 0.02 0.00 -0.71 0.00 0.00 33.22 32.05 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 -3.08 -5.58 -1.25 7.83 4.13 -0.42 -4.87 115.26 112.02 3ihy n ASN 584 Ca -0.39 -0.26 0.08 0.00 1.68 0.00 0.00 54.58 55.69 3ihy n ASN 584 Cb 1.06 -4.54 0.30 0.00 -1.54 0.00 0.00 39.78 35.06 3ihy n ASN 584 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ihy n LEU 585 N -3.85 4.33 0.00 3.41 4.77 -1.26 -4.62 117.00 119.79 3ihy n LEU 585 Ca -0.11 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 3ihy n LEU 585 Cb 0.61 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3ihy n LEU 585 CO 0.45 0.73 -0.34 -0.24 -1.33 0.00 0.00 177.39 176.66 3ihy n SER 586 N 0.42 3.32 -3.40 -1.43 2.88 -1.26 -1.55 113.62 112.60 3ihy n SER 586 Ca 0.22 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.56 3ihy n SER 586 Cb 0.86 0.30 -0.09 0.00 -0.75 0.00 0.00 64.21 64.53 3ihy n SER 586 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3ihy s ASP 587 N -2.53 1.75 0.38 -3.46 1.01 -1.25 -4.00 116.67 108.58 3ihy s ASP 587 Ca 0.00 -1.59 0.08 0.00 0.71 0.00 0.00 52.55 51.75 3ihy s ASP 587 Cb 0.00 0.30 -0.06 0.00 1.01 0.00 0.00 42.92 44.17 3ihy s ASP 587 CO 0.00 -0.30 0.09 0.68 0.21 0.00 0.00 175.17 175.85 3ihy s VAL 588 N 1.51 2.42 0.31 -1.27 -7.23 0.16 -5.01 120.40 111.29 3ihy s VAL 588 Ca 0.16 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 3ihy s VAL 588 Cb -0.17 -2.92 -0.09 0.00 0.56 0.00 0.00 36.38 33.76 3ihy s VAL 588 CO -0.08 -0.09 1.07 -1.61 -0.31 0.00 0.00 175.10 174.08 3ihy s GLU 589 N -3.80 4.53 0.18 4.82 0.41 -1.26 -4.66 118.70 118.92 3ihy s GLU 589 Ca 0.38 1.69 -0.33 0.00 -0.41 0.00 0.00 54.97 56.30 3ihy s GLU 589 Cb 0.03 -3.02 -0.15 0.00 -1.78 0.00 0.00 34.13 29.21 3ihy s GLU 589 CO 0.21 0.14 1.22 1.28 -0.49 0.00 0.00 175.26 177.62 3ihy n LEU 590 N 0.87 1.84 -3.88 1.80 4.32 -1.26 -4.91 117.00 115.77 3ihy n LEU 590 Ca 0.00 1.14 -0.10 0.00 -0.02 0.00 0.00 56.01 57.03 3ihy n LEU 590 Cb 0.46 -1.26 -0.09 0.00 -1.62 0.00 0.00 43.42 40.92 3ihy n LEU 590 CO 0.51 -1.13 -0.16 0.27 -1.22 0.00 0.00 177.39 175.67 3ihy s ILE 591 N -0.12 0.12 0.24 -0.08 -4.36 -1.03 -4.94 121.20 111.02 3ihy s ILE 591 Ca 0.73 -0.96 -0.31 0.00 -0.26 0.00 0.00 60.65 59.85 3ihy s ILE 591 Cb -0.82 -0.85 -0.12 0.00 1.25 0.00 0.00 42.46 41.93 3ihy s ILE 591 CO 0.51 -0.53 1.68 -2.65 0.24 0.00 0.00 174.94 174.19 3ihy n PRO 592 N 0.81 2.75 -2.13 0.37 -0.02 -1.26 -1.73 135.00 133.80 3ihy n PRO 592 Ca -0.19 0.99 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 3ihy n PRO 592 Cb 0.58 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3ihy n PRO 592 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ihy s LEU 593 N 0.52 3.99 0.38 2.45 2.96 -0.65 -4.88 118.68 123.46 3ihy s LEU 593 Ca 0.71 1.72 0.07 0.00 -0.22 0.00 0.00 54.13 56.42 3ihy s LEU 593 Cb -0.50 -3.53 0.81 0.00 0.50 0.00 0.00 46.19 43.46 3ihy s LEU 593 CO 0.39 -1.16 1.97 -0.65 -1.32 0.00 0.00 176.35 175.58 3ihy h PRO 594 N 10.29 0.65 0.00 0.98 0.11 -1.92 0.15 132.00 142.26 3ihy h PRO 594 Ca -0.34 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.68 3ihy h PRO 594 Cb 1.15 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ihy h PRO 594 CO 0.99 0.43 -0.27 1.25 -0.21 0.00 0.00 178.00 180.19 3ihy h LEU 595 N 0.67 0.00 -5.83 2.35 7.12 -1.94 -3.38 115.31 114.30 3ihy h LEU 595 Ca 0.29 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.19 3ihy h LEU 595 Cb 0.27 0.00 -0.20 0.00 -0.53 0.00 0.00 40.66 40.21 3ihy h LEU 595 CO -0.09 0.27 -0.49 -0.70 -0.13 0.00 0.00 178.44 177.30 3ihy s GLU 596 N -4.15 0.86 0.48 1.25 2.12 -0.26 -4.89 118.70 114.11 3ihy s GLU 596 Ca -0.02 -0.51 0.17 0.00 0.36 0.00 0.00 54.97 54.97 3ihy s GLU 596 Cb 0.14 -0.02 1.18 0.00 0.26 0.00 0.00 34.13 35.68 3ihy s GLU 596 CO 0.67 -1.22 2.02 -1.35 -0.54 0.00 0.00 175.26 174.84 3ihy h PRO 597 N 6.57 0.20 -0.98 4.30 0.11 -0.97 -2.18 132.00 139.05 3ihy h PRO 597 Ca 0.06 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.35 3ihy h PRO 597 Cb 1.15 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 3ihy h PRO 597 CO 0.09 0.13 0.58 1.96 -0.21 0.00 0.00 178.00 180.56 3ihy h GLN 598 N 0.21 0.68 -5.94 1.05 7.50 -1.97 -3.39 115.11 113.25 3ihy h GLN 598 Ca 0.21 -0.04 -0.60 0.00 0.50 0.00 0.00 58.65 58.72 3ihy h GLN 598 Cb 0.55 -0.15 -0.09 0.00 0.05 0.00 0.00 27.48 27.83 3ihy h GLN 598 CO -0.04 0.45 0.53 0.08 -1.50 0.00 0.00 178.83 178.36 3ihy s VAL 599 N -5.86 4.70 0.05 -0.54 1.01 -0.82 -5.01 120.40 113.93 3ihy s VAL 599 Ca -0.11 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 3ihy s VAL 599 Cb 0.25 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3ihy s VAL 599 CO 0.80 -0.35 0.40 -0.54 0.00 0.00 0.00 175.10 175.41 3ihy s LYS 600 N 3.19 3.82 0.09 2.72 -0.14 -1.26 -1.64 119.74 126.52 3ihy s LYS 600 Ca 0.36 0.26 0.05 0.00 -1.36 0.00 0.00 55.97 55.28 3ihy s LYS 600 Cb -0.13 -3.08 -0.03 0.00 -1.68 0.00 0.00 37.83 32.90 3ihy s LYS 600 CO 0.14 0.61 -0.12 0.96 -0.76 0.00 0.00 175.35 176.18 3ihy s ILE 601 N -1.28 1.07 -1.03 2.17 -5.25 -0.70 -1.78 121.20 114.40 3ihy s ILE 601 Ca 0.29 -1.54 0.18 0.00 -0.99 0.00 0.00 60.65 58.60 3ihy s ILE 601 Cb -0.15 -1.29 -0.16 0.00 2.95 0.00 0.00 42.46 43.81 3ihy s ILE 601 CO 0.16 -0.42 0.81 0.54 -1.79 0.00 0.00 174.94 174.24 3ihy n ARG 602 N 0.79 1.04 0.00 0.37 1.74 0.07 -2.47 116.66 118.21 3ihy n ARG 602 Ca -0.18 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 3ihy n ARG 602 Cb 0.56 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 1.41 1.02 3.83 -0.13 0.00 -1.26 0.40 105.19 110.46 3ihy n GLY 603 Ca 0.04 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.36 5.32 -0.22 -0.61 1.01 -0.60 0.51 121.20 125.25 3ihy s ILE 604 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 3ihy s ILE 604 Cb 0.00 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 3ihy s ILE 604 CO 0.00 0.59 1.49 -0.63 0.00 0.00 0.00 174.94 176.39 3ihy s ILE 605 N -0.79 3.88 0.05 2.92 1.01 -0.06 -4.56 121.20 123.65 3ihy s ILE 605 Ca 0.13 1.01 -0.19 0.00 0.00 0.00 0.00 60.65 61.61 3ihy s ILE 605 Cb -0.12 -3.84 -0.14 0.00 0.01 0.00 0.00 42.46 38.37 3ihy s ILE 605 CO 0.03 -0.30 1.32 -0.65 0.00 0.00 0.00 174.94 175.34 3ihy h PRO 606 N 9.89 0.47 0.00 2.79 0.11 -1.89 -3.30 132.00 140.07 3ihy h PRO 606 Ca -0.31 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3ihy h PRO 606 Cb 1.13 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ihy h PRO 606 CO 1.00 0.88 0.00 -0.85 -0.21 0.00 0.00 178.00 178.82 3ihy n GLU 607 N -4.41 0.68 0.00 1.05 0.00 -1.26 -1.60 120.64 115.10 3ihy n GLU 607 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 3ihy n GLU 607 Cb 0.45 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.64 3ihy n GLU 607 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3ihy n THR 608 N -0.75 0.00 -2.31 3.84 -2.24 -1.26 -5.06 114.28 106.51 3ihy n THR 608 Ca 0.08 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 3ihy n THR 608 Cb 0.04 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.27 3.47 -0.11 6.98 0.00 -0.62 -4.84 121.76 126.37 3ihy s ALA 609 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 3ihy s ALA 609 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3ihy s ALA 609 CO 0.00 -0.43 0.48 -0.08 0.00 0.00 0.00 175.76 175.74 3ihy s THR 610 N -0.25 0.02 0.35 0.00 -1.32 -0.91 -4.79 115.64 108.75 3ihy s THR 610 Ca 0.53 -0.14 -0.25 0.00 -1.21 0.00 0.00 61.69 60.62 3ihy s THR 610 Cb -0.34 -0.74 -0.10 0.00 -1.51 0.00 0.00 72.50 69.81 3ihy s THR 610 CO 0.39 -0.08 0.98 -0.76 -2.21 0.00 0.00 174.62 172.94 3ihy s LEU 611 N -0.51 4.24 0.61 9.08 1.43 -1.26 -0.18 118.68 132.09 3ihy s LEU 611 Ca -0.06 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.78 3ihy s LEU 611 Cb -0.03 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 3ihy s LEU 611 CO 0.04 -0.22 1.05 -0.36 0.23 0.00 0.00 176.35 177.09 3ihy s PHE 612 N -1.69 3.11 0.31 0.29 0.08 0.09 -4.89 117.98 115.29 3ihy s PHE 612 Ca 0.53 1.47 0.35 0.00 0.12 0.00 0.00 56.93 59.41 3ihy s PHE 612 Cb -0.19 -2.93 1.66 0.00 -0.57 0.00 0.00 43.02 40.99 3ihy s PHE 612 CO 0.24 -1.03 2.10 1.57 -0.10 0.00 0.00 175.22 178.00 3ihy h LYS 613 N 0.16 0.00 -6.54 0.44 2.10 -1.97 -3.41 116.57 107.34 3ihy h LYS 613 Ca -0.46 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.63 3ihy h LYS 613 Cb 1.21 0.00 0.19 0.00 -0.90 0.00 0.00 32.23 32.73 3ihy h LYS 613 CO 0.58 0.03 -0.59 0.45 -2.00 0.00 0.00 179.45 177.92 3ihy n SER 614 N -3.18 -1.82 0.13 7.07 2.88 -1.26 -4.89 113.62 112.55 3ihy n SER 614 Ca -0.01 0.57 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 3ihy n SER 614 Cb 0.24 -1.14 0.48 0.00 -0.75 0.00 0.00 64.21 63.04 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 -0.40 1.00 0.00 -1.46 0.00 -2.02 -2.82 119.26 113.57 3ihy h ALA 615 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3ihy h ALA 615 Cb 1.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ihy h ALA 615 CO 0.41 0.00 -0.30 -0.07 0.00 0.00 0.00 179.25 179.29 3ihy h LEU 616 N 0.00 0.00 -2.20 0.00 3.38 -1.92 -3.49 115.31 111.08 3ihy h LEU 616 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3ihy h LEU 616 Cb 0.46 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.38 3ihy h LEU 616 CO 0.00 0.14 -0.83 0.23 0.09 0.00 0.00 178.44 178.06 3ihy n MET 617 N -3.06 -3.80 -1.75 1.13 2.81 -1.06 -4.82 117.12 106.57 3ihy n MET 617 Ca 0.02 0.81 -0.30 0.00 -1.81 0.00 0.00 57.70 56.43 3ihy n MET 617 Cb 0.59 -5.67 0.07 0.00 -0.71 0.00 0.00 33.22 27.51 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 -4.95 2.41 0.07 0.03 0.04 -1.26 -4.80 135.00 126.54 3ihy s PRO 618 Ca 0.28 0.49 0.06 0.00 0.04 0.00 0.00 61.00 61.86 3ihy s PRO 618 Cb -0.04 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3ihy s PRO 618 CO 0.75 -1.36 -0.11 0.00 0.04 0.00 0.00 177.00 176.33 3ihy s ALA 619 N -3.30 2.91 -0.41 8.56 0.00 -0.51 -0.73 121.76 128.28 3ihy s ALA 619 Ca 0.60 -1.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 3ihy s ALA 619 Cb -0.12 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.09 3ihy s ALA 619 CO 0.52 0.62 0.52 -1.14 0.00 0.00 0.00 175.76 176.29 3ihy s GLN 620 N -1.89 3.27 -0.15 0.00 0.74 0.75 -1.23 119.66 121.14 3ihy s GLN 620 Ca 0.19 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 3ihy s GLN 620 Cb -0.11 -3.93 -0.02 0.00 1.10 0.00 0.00 33.01 30.05 3ihy s GLN 620 CO 0.11 -0.86 -0.06 -0.51 -0.55 0.00 0.00 175.29 173.43 3ihy s LEU 621 N 2.41 3.14 -0.36 3.68 1.43 -0.70 -2.13 118.68 126.14 3ihy s LEU 621 Ca 0.17 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 3ihy s LEU 621 Cb -0.16 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3ihy s LEU 621 CO 0.15 0.16 0.54 -0.36 0.23 0.00 0.00 176.35 177.07 3ihy s PHE 622 N 0.39 3.17 0.01 0.29 0.40 -1.26 -0.75 117.98 120.23 3ihy s PHE 622 Ca -0.05 0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.20 3ihy s PHE 622 Cb -0.15 -2.99 -0.05 0.00 0.51 0.00 0.00 43.02 40.35 3ihy s PHE 622 CO 0.03 -0.58 0.71 -0.06 0.70 0.00 0.00 175.22 176.02 3ihy s PHE 623 N 2.46 3.70 -0.31 0.36 0.40 0.63 -0.88 117.98 124.33 3ihy s PHE 623 Ca 0.19 1.36 -0.29 0.00 -0.60 0.00 0.00 56.93 57.60 3ihy s PHE 623 Cb -0.15 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 3ihy s PHE 623 CO 0.14 0.27 1.51 0.15 0.70 0.00 0.00 175.22 177.99 3ihy s LYS 624 N 0.04 3.68 0.72 0.44 1.02 0.18 -0.47 119.74 125.35 3ihy s LYS 624 Ca 0.36 1.32 -0.04 0.00 0.02 0.00 0.00 55.97 57.63 3ihy s LYS 624 Cb -0.19 -4.02 0.10 0.00 -0.52 0.00 0.00 37.83 33.19 3ihy s LYS 624 CO 0.21 -1.43 1.01 0.95 -0.92 0.00 0.00 175.35 175.17 3ihy s THR 625 N 5.35 2.26 0.08 2.17 -4.23 -0.66 -0.75 115.64 119.86 3ihy s THR 625 Ca 0.66 -0.42 -0.36 0.00 -1.18 0.00 0.00 61.69 60.39 3ihy s THR 625 Cb -0.19 -2.83 -0.17 0.00 1.34 0.00 0.00 72.50 70.64 3ihy s THR 625 CO 0.30 0.00 1.56 -0.08 -0.54 0.00 0.00 174.62 175.85 3ihy h GLU 626 N -0.59 -0.99 -1.86 3.99 4.81 -1.68 -2.55 114.58 115.71 3ihy h GLU 626 Ca -0.41 0.07 -0.36 0.00 -0.13 0.00 0.00 59.36 58.52 3ihy h GLU 626 Cb 1.28 0.22 -0.14 0.00 0.63 0.00 0.00 28.75 30.75 3ihy h GLU 626 CO 0.48 -0.66 0.24 -0.40 -0.73 0.00 0.00 179.01 177.94 3ihy n ASP 627 N -5.54 6.19 -3.32 1.04 3.85 -1.26 -4.76 116.55 112.74 3ihy n ASP 627 Ca -0.12 -2.99 -0.23 0.00 -0.71 0.00 0.00 54.79 50.74 3ihy n ASP 627 Cb 0.47 -1.21 0.07 0.00 -1.35 0.00 0.00 41.12 39.10 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 1.04 -0.48 1.71 6.12 0.00 -0.96 -5.02 105.19 107.60 3ihy n GLY 628 Ca 0.39 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.85 1.50 2.73 -0.02 0.00 -1.23 -4.90 105.19 101.42 3ihy n GLY 629 Ca -0.02 -2.11 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 3ihy n GLY 629 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihy s LYS 630 N -3.31 0.14 -0.29 1.61 1.02 -1.26 -1.65 119.74 116.00 3ihy s LYS 630 Ca 0.28 0.19 -0.01 0.00 0.02 0.00 0.00 55.97 56.45 3ihy s LYS 630 Cb -0.02 -1.22 0.05 0.00 -0.52 0.00 0.00 37.83 36.12 3ihy s LYS 630 CO 0.18 -0.61 -0.02 -0.47 -0.92 0.00 0.00 175.35 173.50 3ihy s TYR 631 N 2.28 3.27 -0.03 3.18 6.14 0.38 -4.88 117.35 127.68 3ihy s TYR 631 Ca 0.05 -1.97 -0.27 0.00 0.64 0.00 0.00 57.07 55.52 3ihy s TYR 631 Cb -0.15 -2.07 -0.03 0.00 0.42 0.00 0.00 41.96 40.12 3ihy s TYR 631 CO -0.11 -0.82 0.87 -1.25 0.64 0.00 0.00 175.55 174.88 3ihy s PRO 632 N 1.22 4.51 0.21 4.97 0.04 -1.26 -0.27 135.00 144.43 3ihy s PRO 632 Ca -0.06 1.20 0.08 0.00 0.04 0.00 0.00 61.00 62.26 3ihy s PRO 632 Cb -0.20 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 3ihy s PRO 632 CO -0.02 0.00 -0.15 0.14 0.04 0.00 0.00 177.00 177.01 3ihy s VAL 633 N 0.91 1.85 -0.26 -0.36 -7.23 0.08 -3.98 120.40 111.41 3ihy s VAL 633 Ca 0.46 -2.23 -0.10 0.00 -1.81 0.00 0.00 61.98 58.30 3ihy s VAL 633 Cb -0.20 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 3ihy s VAL 633 CO 0.24 -0.56 0.15 -0.63 -0.31 0.00 0.00 175.10 174.00 3ihy s ILE 634 N -2.88 5.13 -0.22 -0.62 1.01 -0.21 -1.73 121.20 121.69 3ihy s ILE 634 Ca 0.23 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 3ihy s ILE 634 Cb -0.02 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 3ihy s ILE 634 CO 0.08 0.31 0.05 0.12 0.00 0.00 0.00 174.94 175.49 3ihy s PHE 635 N 1.44 3.10 0.06 3.97 5.36 -0.37 -0.67 117.98 130.87 3ihy s PHE 635 Ca 0.07 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.75 3ihy s PHE 635 Cb -0.15 -2.15 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 3ihy s PHE 635 CO 0.07 -0.20 0.05 0.15 -1.46 0.00 0.00 175.22 173.83 3ihy s LYS 636 N 1.14 2.84 -0.21 10.12 1.02 0.70 -1.42 119.74 133.94 3ihy s LYS 636 Ca 0.04 -0.67 -0.09 0.00 0.02 0.00 0.00 55.97 55.27 3ihy s LYS 636 Cb -0.14 -2.71 0.08 0.00 -0.52 0.00 0.00 37.83 34.54 3ihy s LYS 636 CO 0.03 0.58 0.46 -1.58 -0.92 0.00 0.00 175.35 173.92 3ihy s HIS 637 N -1.30 -0.82 0.00 3.18 2.46 -1.26 -1.34 115.29 116.21 3ihy s HIS 637 Ca 0.26 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.38 3ihy s HIS 637 Cb -0.12 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 3ihy s HIS 637 CO 0.18 -0.46 0.00 0.41 -2.47 0.00 0.00 174.74 172.40 3ihy n GLY 638 N 4.97 3.90 3.91 1.59 0.00 -0.32 -4.83 105.19 114.41 3ihy n GLY 638 Ca -0.14 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 3ihy n GLY 638 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ihy s ASP 639 N 0.00 4.71 -0.30 1.61 1.47 -1.23 -4.95 116.67 117.98 3ihy s ASP 639 Ca 0.00 -1.15 -0.07 0.00 1.18 0.00 0.00 52.55 52.51 3ihy s ASP 639 Cb 0.00 0.27 0.01 0.00 -0.34 0.00 0.00 42.92 42.86 3ihy s ASP 639 CO 0.00 -1.06 0.09 -0.62 0.68 0.00 0.00 175.17 174.26 3ihy s ASP 640 N -4.29 5.21 0.07 2.11 -1.08 -1.25 -3.80 116.67 113.64 3ihy s ASP 640 Ca 0.39 -0.74 0.24 0.00 -0.52 0.00 0.00 52.55 51.91 3ihy s ASP 640 Cb -0.02 -1.90 0.34 0.00 -1.46 0.00 0.00 42.92 39.88 3ihy s ASP 640 CO 0.24 -0.21 1.30 0.18 0.52 0.00 0.00 175.17 177.19 3ihy n LEU 641 N 4.88 0.62 -0.33 -1.34 4.77 -1.26 -4.39 117.00 119.95 3ihy n LEU 641 Ca -0.14 0.11 0.15 0.00 -0.03 0.00 0.00 56.01 56.10 3ihy n LEU 641 Cb 0.48 -0.19 0.38 0.00 -2.33 0.00 0.00 43.42 41.76 3ihy n LEU 641 CO 0.32 0.02 1.20 0.03 -1.33 0.00 0.00 177.39 177.64 3ihy h ARG 642 N 0.00 0.64 -0.29 3.23 3.08 -1.89 0.53 114.38 119.67 3ihy h ARG 642 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3ihy h ARG 642 Cb 0.66 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3ihy h ARG 642 CO 0.00 0.42 -0.02 0.37 -1.07 0.00 0.00 179.97 179.68 3ihy h GLN 643 N 0.66 0.52 -0.20 0.04 4.15 -1.91 0.03 115.11 118.41 3ihy h GLN 643 Ca 0.55 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 3ihy h GLN 643 Cb 1.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 3ihy h GLN 643 CO -0.32 0.68 -0.06 -0.44 -1.93 0.00 0.00 178.83 176.76 3ihy h ASP 644 N 0.30 0.27 -0.30 -0.69 3.45 -1.50 -2.18 116.42 115.77 3ihy h ASP 644 Ca 0.08 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.47 3ihy h ASP 644 Cb 0.46 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3ihy h ASP 644 CO 0.02 0.37 0.07 -0.61 -1.57 0.00 0.00 179.24 177.53 3ihy h GLN 645 N 0.29 0.48 0.28 3.56 4.15 0.34 -0.85 115.11 123.36 3ihy h GLN 645 Ca 0.06 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3ihy h GLN 645 Cb 0.29 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3ihy h GLN 645 CO 0.01 0.55 -0.14 1.25 -1.93 0.00 0.00 178.83 178.58 3ihy h LEU 646 N 0.32 -0.32 0.03 -2.39 5.85 -0.89 -2.59 115.31 115.33 3ihy h LEU 646 Ca 0.09 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3ihy h LEU 646 Cb 0.29 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3ihy h LEU 646 CO 0.00 -0.12 -0.19 0.40 -0.34 0.00 0.00 178.44 178.19 3ihy h ILE 647 N -0.52 0.56 -0.80 4.05 1.08 -1.38 -1.29 117.51 119.21 3ihy h ILE 647 Ca -0.04 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 3ihy h ILE 647 Cb 0.38 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 3ihy h ILE 647 CO 0.06 0.00 0.53 -0.07 -0.69 0.00 0.00 178.15 177.98 3ihy h LEU 648 N -0.32 0.80 -0.28 1.44 -0.00 -1.20 0.12 115.31 115.88 3ihy h LEU 648 Ca 0.05 -0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.83 3ihy h LEU 648 Cb 0.38 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 3ihy h LEU 648 CO -0.15 0.53 -0.45 0.06 -0.00 0.00 0.00 178.44 178.43 3ihy h GLN 649 N 0.92 0.00 -0.03 1.13 -0.00 -1.04 0.12 115.11 116.21 3ihy h GLN 649 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.97 3ihy h GLN 649 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 3ihy h GLN 649 CO -0.11 0.45 -0.06 0.82 -0.00 0.00 0.00 178.83 179.92 3ihy h ILE 650 N 0.00 1.44 -0.66 1.86 1.08 -0.29 -0.03 117.51 120.91 3ihy h ILE 650 Ca -0.00 -1.41 0.06 0.00 -0.39 0.00 0.00 64.86 63.12 3ihy h ILE 650 Cb 1.23 2.32 -0.06 0.00 -3.07 0.00 0.00 36.82 37.24 3ihy h ILE 650 CO 0.06 0.38 0.36 0.40 -0.69 0.00 0.00 178.15 178.65 3ihy h ILE 651 N -0.45 0.95 -0.94 -0.67 2.04 -0.82 0.49 117.51 118.12 3ihy h ILE 651 Ca 0.00 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.65 3ihy h ILE 651 Cb 0.65 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3ihy h ILE 651 CO 0.01 0.12 0.62 -1.28 0.00 0.00 0.00 178.15 177.63 3ihy h SER 652 N 0.66 1.07 -0.23 1.72 0.87 -0.74 -0.09 113.55 116.82 3ihy h SER 652 Ca 0.30 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3ihy h SER 652 Cb 0.20 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3ihy h SER 652 CO -0.19 0.77 0.10 0.25 -0.53 0.00 0.00 176.83 177.23 3ihy h LEU 653 N 1.26 0.31 -1.04 2.23 5.85 -0.37 -2.46 115.31 121.09 3ihy h LEU 653 Ca 0.35 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3ihy h LEU 653 Cb -0.12 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3ihy h LEU 653 CO -0.08 0.38 0.45 0.24 -0.34 0.00 0.00 178.44 179.08 3ihy h MET 654 N 0.23 1.11 0.23 1.25 2.86 -0.52 -1.58 114.93 118.52 3ihy h MET 654 Ca 0.08 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3ihy h MET 654 Cb 0.16 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3ihy h MET 654 CO -0.01 0.81 -0.27 0.22 1.06 0.00 0.00 176.91 178.72 3ihy h ASP 655 N 1.12 -0.74 -0.24 1.22 3.58 -0.83 -2.11 116.42 118.43 3ihy h ASP 655 Ca 0.28 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.73 3ihy h ASP 655 Cb 0.02 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 3ihy h ASP 655 CO -0.05 -0.38 -0.09 0.11 -2.88 0.00 0.00 179.24 175.95 3ihy h LYS 656 N -0.55 0.62 0.15 0.28 1.57 -1.12 0.30 116.57 117.82 3ihy h LYS 656 Ca 0.00 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3ihy h LYS 656 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3ihy h LYS 656 CO -0.08 0.71 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.36 3ihy h LEU 657 N 0.57 -0.17 -0.33 2.94 3.38 -1.21 -1.49 115.31 118.99 3ihy h LEU 657 Ca 0.11 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3ihy h LEU 657 Cb 0.50 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3ihy h LEU 657 CO 0.03 0.04 0.01 -0.07 0.09 0.00 0.00 178.44 178.53 3ihy h LEU 658 N -0.38 -0.12 -2.02 1.67 3.38 -1.21 -2.62 115.31 114.02 3ihy h LEU 658 Ca -0.02 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ihy h LEU 658 Cb 0.30 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ihy h LEU 658 CO 0.03 -0.02 0.10 0.03 0.09 0.00 0.00 178.44 178.67 3ihy h ARG 659 N 0.10 0.00 -0.54 1.13 3.08 -0.64 0.41 114.38 117.93 3ihy h ARG 659 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3ihy h ARG 659 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3ihy h ARG 659 CO -0.26 0.00 0.24 -0.22 -1.07 0.00 0.00 179.97 178.66 3ihy h LYS 660 N 0.00 0.79 -1.46 0.04 3.64 -0.94 -3.16 116.57 115.49 3ihy h LYS 660 Ca 0.06 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 3ihy h LYS 660 Cb 0.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3ihy h LYS 660 CO -0.00 0.67 0.03 0.39 -2.27 0.00 0.00 179.45 178.27 3ihy n GLU 661 N -4.55 1.05 -3.33 1.90 1.02 0.14 -4.86 120.64 112.01 3ihy n GLU 661 Ca 0.03 -0.10 -0.14 0.00 -0.02 0.00 0.00 57.16 56.92 3ihy n GLU 661 Cb 0.14 -1.04 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 3ihy n GLU 661 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ihy n ASN 662 N 0.91 0.36 -3.96 1.62 4.13 -1.13 -4.94 115.26 112.25 3ihy n ASN 662 Ca 0.02 -0.57 -0.31 0.00 1.68 0.00 0.00 54.58 55.40 3ihy n ASN 662 Cb 0.52 -0.71 -0.15 0.00 -1.54 0.00 0.00 39.78 37.90 3ihy n ASN 662 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3ihy s LEU 663 N -5.00 2.75 -0.41 3.41 2.96 -0.88 -5.01 118.68 116.50 3ihy s LEU 663 Ca 0.01 -1.23 -0.03 0.00 -0.22 0.00 0.00 54.13 52.65 3ihy s LEU 663 Cb -0.00 -1.25 0.11 0.00 0.50 0.00 0.00 46.19 45.55 3ihy s LEU 663 CO 0.45 -0.23 0.22 -0.62 -1.32 0.00 0.00 176.35 174.84 3ihy s ASP 664 N 1.34 5.29 -0.10 3.68 2.15 -1.26 -2.52 116.67 125.25 3ihy s ASP 664 Ca -0.06 -2.02 0.04 0.00 0.43 0.00 0.00 52.55 50.94 3ihy s ASP 664 Cb -0.19 -1.84 0.26 0.00 -0.30 0.00 0.00 42.92 40.85 3ihy s ASP 664 CO -0.06 -0.56 1.02 0.18 -0.17 0.00 0.00 175.17 175.58 3ihy n LEU 665 N 4.62 3.01 -3.52 -1.34 4.77 -1.26 -4.90 117.00 118.38 3ihy n LEU 665 Ca -0.03 -1.54 -0.23 0.00 -0.03 0.00 0.00 56.01 54.19 3ihy n LEU 665 Cb 0.41 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3ihy n LEU 665 CO 0.34 0.45 -0.03 0.29 -1.33 0.00 0.00 177.39 177.11 3ihy n LYS 666 N 0.14 -2.55 -2.57 3.23 4.76 -1.26 -2.60 118.16 117.31 3ihy n LYS 666 Ca 0.12 0.65 -0.24 0.00 -2.87 0.00 0.00 58.31 55.97 3ihy n LYS 666 Cb 0.65 -5.02 0.03 0.00 -1.84 0.00 0.00 35.03 28.86 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 -6.12 3.28 -0.56 -0.35 1.43 -1.26 -4.61 118.68 110.48 3ihy s LEU 667 Ca 0.35 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 3ihy s LEU 667 Cb -0.09 -3.22 0.19 0.00 0.03 0.00 0.00 46.19 43.10 3ihy s LEU 667 CO 0.80 -1.08 0.47 0.41 0.23 0.00 0.00 176.35 177.18 3ihy n THR 668 N -2.46 0.42 -2.65 5.49 -1.04 -1.26 -5.00 114.28 107.79 3ihy n THR 668 Ca 0.05 -4.28 -0.43 0.00 -2.04 0.00 0.00 64.05 57.35 3ihy n THR 668 Cb 0.59 -1.95 -0.01 0.00 -1.82 0.00 0.00 70.33 67.13 3ihy n THR 668 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3ihy s PRO 669 N -0.98 3.90 0.52 -2.82 0.04 -1.26 -4.92 135.00 129.49 3ihy s PRO 669 Ca 0.31 -1.90 -0.20 0.00 0.04 0.00 0.00 61.00 59.24 3ihy s PRO 669 Cb 0.03 -5.40 -0.06 0.00 0.04 0.00 0.00 34.50 29.11 3ihy s PRO 669 CO -0.16 -2.15 1.14 1.52 0.04 0.00 0.00 177.00 177.40 3ihy s TYR 670 N 3.89 2.71 0.34 0.56 -0.85 -1.26 -4.92 117.35 117.82 3ihy s TYR 670 Ca 0.50 1.54 -0.27 0.00 -0.52 0.00 0.00 57.07 58.32 3ihy s TYR 670 Cb 0.02 -3.33 -0.09 0.00 0.38 0.00 0.00 41.96 38.94 3ihy s TYR 670 CO 0.02 -1.60 1.07 0.15 -1.52 0.00 0.00 175.55 173.68 3ihy s LYS 671 N -3.13 4.38 -0.05 -3.49 1.02 -1.26 -4.87 119.74 112.34 3ihy s LYS 671 Ca 0.71 1.65 -0.02 0.00 0.02 0.00 0.00 55.97 58.33 3ihy s LYS 671 Cb -0.26 -2.85 0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3ihy s LYS 671 CO 0.29 0.02 0.07 0.08 -0.92 0.00 0.00 175.35 174.90 3ihy s VAL 672 N -1.42 -0.13 -0.21 3.17 1.01 -1.26 0.83 120.40 122.39 3ihy s VAL 672 Ca 0.51 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.91 3ihy s VAL 672 Cb -0.27 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 35.99 3ihy s VAL 672 CO 0.34 0.17 -0.07 -0.22 0.00 0.00 0.00 175.10 175.32 3ihy s LEU 673 N 2.13 2.38 -0.12 3.92 2.96 0.62 -4.80 118.68 125.77 3ihy s LEU 673 Ca 0.04 -1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 52.63 3ihy s LEU 673 Cb -0.12 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 3ihy s LEU 673 CO -0.03 -0.20 1.57 0.00 -1.32 0.00 0.00 176.35 176.37 3ihy s ALA 674 N 1.41 3.54 -0.85 5.97 0.00 -1.26 -0.97 121.76 129.59 3ihy s ALA 674 Ca -0.04 0.73 0.21 0.00 0.00 0.00 0.00 51.96 52.87 3ihy s ALA 674 Cb -0.18 -3.75 -0.24 0.00 0.00 0.00 0.00 23.12 18.95 3ihy s ALA 674 CO -0.07 -1.49 0.84 0.25 0.00 0.00 0.00 175.76 175.29 3ihy n THR 675 N 5.69 0.00 -3.50 0.00 -2.24 -0.93 -4.81 114.28 108.50 3ihy n THR 675 Ca 0.17 -0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 3ihy n THR 675 Cb 0.44 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 3ihy n THR 675 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ihy n SER 676 N -1.62 -1.26 0.18 3.42 2.88 -0.75 -4.65 113.62 111.83 3ihy n SER 676 Ca 0.03 -1.94 0.05 0.00 -1.33 0.00 0.00 58.87 55.68 3ihy n SER 676 Cb 0.37 2.12 0.32 0.00 -0.75 0.00 0.00 64.21 66.27 3ihy n SER 676 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3ihy h THR 677 N 1.57 0.91 0.00 2.46 1.35 -1.86 -3.34 112.91 114.00 3ihy h THR 677 Ca -0.19 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 3ihy h THR 677 Cb 0.71 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3ihy h THR 677 CO 0.24 0.38 -0.65 0.29 -0.25 0.00 0.00 175.52 175.53 3ihy n LYS 678 N -3.54 2.53 -3.93 4.72 4.76 -1.26 -3.84 118.16 117.60 3ihy n LYS 678 Ca -0.00 -0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.34 3ihy n LYS 678 Cb 0.52 -1.14 -0.10 0.00 -1.84 0.00 0.00 35.03 32.48 3ihy n LYS 678 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 3ihy s HIS 679 N -2.28 0.20 0.02 2.13 -3.43 -1.25 -1.18 115.29 109.51 3ihy s HIS 679 Ca 0.05 -0.50 -0.29 0.00 -0.80 0.00 0.00 55.06 53.52 3ihy s HIS 679 Cb 0.10 -0.15 0.10 0.00 -1.43 0.00 0.00 32.58 31.20 3ihy s HIS 679 CO 0.55 -0.35 1.06 0.20 -2.00 0.00 0.00 174.74 174.20 3ihy s GLY 680 N -2.04 -0.34 0.12 -1.38 0.00 -0.45 -1.80 107.32 101.42 3ihy s GLY 680 Ca -0.06 0.70 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 3ihy s GLY 680 CO -0.04 0.19 0.34 -1.36 0.00 0.00 0.00 173.10 172.23 3ihy s PHE 681 N -2.91 3.49 -0.14 1.90 0.08 -0.15 -0.21 117.98 120.04 3ihy s PHE 681 Ca 0.10 0.50 -0.11 0.00 0.12 0.00 0.00 56.93 57.54 3ihy s PHE 681 Cb 0.00 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3ihy s PHE 681 CO -0.03 0.48 0.36 1.41 -0.10 0.00 0.00 175.22 177.34 3ihy s MET 682 N -2.56 0.39 0.28 0.44 -2.45 0.15 -0.28 119.30 115.27 3ihy s MET 682 Ca 0.39 0.56 -0.29 0.00 -1.25 0.00 0.00 55.69 55.09 3ihy s MET 682 Cb -0.12 0.13 -0.10 0.00 1.25 0.00 0.00 34.83 35.99 3ihy s MET 682 CO 0.25 -0.08 1.24 -1.14 1.05 0.00 0.00 175.02 176.33 3ihy s GLN 683 N 0.52 4.46 -0.01 4.11 0.74 0.24 -1.05 119.66 128.68 3ihy s GLN 683 Ca -0.03 2.03 -0.20 0.00 0.05 0.00 0.00 55.36 57.22 3ihy s GLN 683 Cb -0.04 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 3ihy s GLN 683 CO -0.03 -0.07 0.58 0.12 -0.55 0.00 0.00 175.29 175.33 3ihy s PHE 684 N -0.80 3.68 -0.05 1.67 5.36 -1.26 -4.77 117.98 121.81 3ihy s PHE 684 Ca 0.49 1.17 0.05 0.00 -0.96 0.00 0.00 56.93 57.68 3ihy s PHE 684 Cb -0.36 -2.58 -0.00 0.00 -0.34 0.00 0.00 43.02 39.73 3ihy s PHE 684 CO 0.45 0.37 -0.20 0.42 -1.46 0.00 0.00 175.22 174.80 3ihy s ILE 685 N -0.23 1.69 -0.26 3.12 -1.09 -1.26 -5.01 121.20 118.16 3ihy s ILE 685 Ca 0.30 -0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 57.58 3ihy s ILE 685 Cb -0.18 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.25 3ihy s ILE 685 CO 0.17 0.48 1.33 -1.58 -1.23 0.00 0.00 174.94 174.10 3ihy s GLN 686 N 0.02 3.98 -0.03 2.79 0.74 -1.26 -4.93 119.66 120.96 3ihy s GLN 686 Ca -0.05 1.40 -0.29 0.00 0.05 0.00 0.00 55.36 56.47 3ihy s GLN 686 Cb -0.13 -3.87 0.10 0.00 1.10 0.00 0.00 33.01 30.21 3ihy s GLN 686 CO 0.03 -1.04 0.81 -1.54 -0.55 0.00 0.00 175.29 173.01 3ihy s SER 687 N 2.76 -0.48 -0.15 6.67 1.04 -1.26 -4.66 113.70 117.62 3ihy s SER 687 Ca 0.58 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 57.29 3ihy s SER 687 Cb -0.19 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 3ihy s SER 687 CO 0.22 -0.60 -0.10 -0.69 0.98 0.00 0.00 173.24 173.05 3ihy s VAL 688 N -2.16 3.26 0.48 5.02 1.01 0.43 -4.92 120.40 123.53 3ihy s VAL 688 Ca -0.02 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 3ihy s VAL 688 Cb -0.01 -2.41 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 3ihy s VAL 688 CO -0.02 0.50 1.26 -2.16 0.00 0.00 0.00 175.10 174.69 3ihy s PRO 689 N 0.57 3.56 0.30 2.72 0.04 -1.26 0.66 135.00 141.59 3ihy s PRO 689 Ca -0.06 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.01 3ihy s PRO 689 Cb -0.15 -2.41 0.46 0.00 0.04 0.00 0.00 34.50 32.44 3ihy s PRO 689 CO 0.03 -0.78 1.81 0.28 0.04 0.00 0.00 177.00 178.37 3ihy h VAL 690 N 1.82 1.23 -0.96 -0.36 2.07 0.32 -1.51 116.25 118.85 3ihy h VAL 690 Ca -0.50 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.17 3ihy h VAL 690 Cb 1.27 0.96 -0.12 0.00 -1.52 0.00 0.00 31.29 31.88 3ihy h VAL 690 CO 0.59 0.32 -0.56 0.00 0.02 0.00 0.00 177.57 177.94 3ihy n ALA 691 N -2.48 -0.61 0.00 1.67 0.00 0.16 -0.96 120.51 118.29 3ihy n ALA 691 Ca 0.02 0.82 -0.12 0.00 0.00 0.00 0.00 53.44 54.15 3ihy n ALA 691 Cb 0.29 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 3ihy n ALA 691 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ihy h GLU 692 N 0.00 0.04 -0.73 0.00 4.81 -1.57 -1.34 114.58 115.79 3ihy h GLU 692 Ca 0.16 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.54 3ihy h GLU 692 Cb 0.40 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.65 3ihy h GLU 692 CO -0.90 0.25 0.09 0.28 -0.73 0.00 0.00 179.01 178.00 3ihy h VAL 693 N -0.17 0.43 -0.20 0.32 2.07 -1.01 0.22 116.25 117.91 3ihy h VAL 693 Ca 0.01 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3ihy h VAL 693 Cb 0.23 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3ihy h VAL 693 CO 0.00 0.03 0.04 -0.07 0.02 0.00 0.00 177.57 177.59 3ihy h LEU 694 N 0.17 0.32 -0.95 2.57 4.07 -0.86 -1.55 115.31 119.09 3ihy h LEU 694 Ca 0.41 -0.25 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 3ihy h LEU 694 Cb 0.72 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 3ihy h LEU 694 CO -0.58 0.49 0.10 -0.78 -1.08 0.00 0.00 178.44 176.59 3ihy h ASP 695 N 0.13 0.81 0.00 -0.43 3.58 0.06 -0.98 116.42 119.60 3ihy h ASP 695 Ca 0.06 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 3ihy h ASP 695 Cb 0.31 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 3ihy h ASP 695 CO 0.00 0.82 -0.18 0.71 -2.88 0.00 0.00 179.24 177.72 3ihy h THR 696 N 0.82 0.24 -0.01 2.25 1.35 -0.67 -3.42 112.91 113.48 3ihy h THR 696 Ca 0.17 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 3ihy h THR 696 Cb 0.35 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 3ihy h THR 696 CO 0.01 0.08 -0.48 -0.62 -0.25 0.00 0.00 175.52 174.26 3ihy n GLU 697 N -4.71 1.44 0.00 4.72 -0.58 -0.59 -5.02 120.64 115.90 3ihy n GLU 697 Ca -0.04 -0.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.99 3ihy n GLU 697 Cb 0.15 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.29 3.11 3.57 0.62 0.00 -0.37 -4.62 105.19 108.79 3ihy n GLY 698 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.17 -0.35 0.32 1.61 1.04 -1.26 -4.86 113.70 110.04 3ihy s SER 699 Ca 0.00 0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.84 3ihy s SER 699 Cb 0.00 0.30 0.78 0.00 0.10 0.00 0.00 66.02 67.20 3ihy s SER 699 CO 0.00 -0.36 1.80 0.40 0.98 0.00 0.00 173.24 176.07 3ihy h ILE 700 N 2.46 0.73 0.00 -1.02 2.04 -1.89 -2.37 117.51 117.46 3ihy h ILE 700 Ca -0.18 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.31 3ihy h ILE 700 Cb 1.17 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3ihy h ILE 700 CO 0.30 0.13 -0.55 1.56 0.00 0.00 0.00 178.15 179.60 3ihy h GLN 701 N 0.73 0.00 -0.13 2.37 4.20 -1.86 -2.38 115.11 118.04 3ihy h GLN 701 Ca 0.54 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.15 3ihy h GLN 701 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3ihy h GLN 701 CO -0.32 0.55 -0.32 -0.91 -0.67 0.00 0.00 178.83 177.17 3ihy h ASN 702 N 0.00 0.50 -0.48 1.46 2.35 -1.72 -1.39 115.58 116.29 3ihy h ASN 702 Ca -0.01 -0.58 0.10 0.00 -0.55 0.00 0.00 56.30 55.26 3ihy h ASN 702 Cb 0.99 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.13 3ihy h ASN 702 CO 0.07 0.99 -0.06 0.15 -1.65 0.00 0.00 177.43 176.93 3ihy h PHE 703 N 0.03 -0.14 -0.80 1.19 3.57 -1.38 0.13 116.94 119.54 3ihy h PHE 703 Ca -0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3ihy h PHE 703 Cb 0.92 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 3ihy h PHE 703 CO 0.11 -0.16 0.34 0.74 -2.23 0.00 0.00 178.31 177.10 3ihy h PHE 704 N 0.05 1.20 0.00 0.41 0.04 -1.43 -2.76 116.94 114.45 3ihy h PHE 704 Ca 0.24 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 3ihy h PHE 704 Cb 0.36 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3ihy h PHE 704 CO -0.36 0.90 -0.18 -0.09 -0.60 0.00 0.00 178.31 177.98 3ihy h ARG 705 N 1.15 0.00 0.00 1.51 2.43 -0.22 0.52 114.38 119.78 3ihy h ARG 705 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3ihy h ARG 705 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3ihy h ARG 705 CO -0.03 0.18 -0.43 -0.22 -1.51 0.00 0.00 179.97 177.97 3ihy h LYS 706 N 0.00 0.00 0.00 0.20 3.64 -0.58 -3.33 116.57 116.51 3ihy h LYS 706 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ihy h LYS 706 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3ihy h LYS 706 CO 0.02 0.00 -0.16 0.66 -2.27 0.00 0.00 179.45 177.71 3ihy n TYR 707 N -2.73 0.00 -3.17 1.91 4.02 -0.96 -4.84 117.16 111.40 3ihy n TYR 707 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.73 3ihy n TYR 707 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.66 2.25 -2.11 -0.72 0.00 0.18 -5.03 120.51 114.42 3ihy n ALA 708 Ca 0.00 -3.51 -0.41 0.00 0.00 0.00 0.00 53.44 49.51 3ihy n ALA 708 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.45 4.54 -0.15 0.00 0.04 -1.24 0.01 135.00 135.74 3ihy s PRO 709 Ca 0.40 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 3ihy s PRO 709 Cb 0.33 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.65 3ihy s PRO 709 CO -0.09 -0.02 0.06 0.45 0.04 0.00 0.00 177.00 177.45 3ihy s SER 710 N 0.11 2.31 0.45 6.66 0.15 -0.72 -4.64 113.70 118.02 3ihy s SER 710 Ca 0.52 -0.55 0.13 0.00 0.70 0.00 0.00 55.95 56.74 3ihy s SER 710 Cb -0.30 -0.36 1.03 0.00 -1.71 0.00 0.00 66.02 64.68 3ihy s SER 710 CO 0.35 -0.31 2.03 -0.33 1.20 0.00 0.00 173.24 176.18 3ihy h GLU 711 N 8.36 0.36 0.82 5.44 5.08 -1.91 -3.12 114.58 129.60 3ihy h GLU 711 Ca -0.15 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3ihy h GLU 711 Cb 1.14 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.31 3ihy h GLU 711 CO 0.29 0.24 -0.39 -0.91 -1.00 0.00 0.00 179.01 177.23 3ihy h ASN 712 N 0.37 -0.93 -2.28 1.42 4.21 -1.94 -3.44 115.58 112.98 3ihy h ASN 712 Ca 0.19 0.03 -0.10 0.00 1.21 0.00 0.00 56.30 57.64 3ihy h ASN 712 Cb 0.30 0.24 0.04 0.00 -1.12 0.00 0.00 38.32 37.78 3ihy h ASN 712 CO -0.05 -0.58 0.08 0.61 -1.29 0.00 0.00 177.43 176.20 3ihy n GLY 713 N -1.07 -1.61 3.72 2.83 0.00 -1.18 -4.94 105.19 102.94 3ihy n GLY 713 Ca -0.14 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3ihy n GLY 713 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ihy s PRO 714 N -3.65 4.33 -1.77 1.61 0.04 -1.23 -2.74 135.00 131.60 3ihy s PRO 714 Ca 0.17 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3ihy s PRO 714 Cb -0.01 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3ihy s PRO 714 CO 0.12 -0.42 0.00 0.09 0.04 0.00 0.00 177.00 176.84 3ihy n ASN 715 N 3.83 -4.82 -0.13 6.66 3.02 -1.26 -1.79 115.26 120.76 3ihy n ASN 715 Ca 0.11 0.41 -0.02 0.00 -0.03 0.00 0.00 54.58 55.05 3ihy n ASN 715 Cb 0.42 -4.19 -0.01 0.00 -0.61 0.00 0.00 39.78 35.39 3ihy n ASN 715 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihy n GLY 716 N -0.24 0.53 3.51 7.41 0.00 -1.11 -4.98 105.19 110.32 3ihy n GLY 716 Ca -0.17 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.05 3.02 0.34 -0.61 1.01 -0.74 -1.76 121.20 120.41 3ihy s ILE 717 Ca 0.00 -1.29 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 3ihy s ILE 717 Cb 0.00 -2.36 -0.12 0.00 0.01 0.00 0.00 42.46 39.99 3ihy s ILE 717 CO 0.00 0.20 1.30 -0.24 0.00 0.00 0.00 174.94 176.19 3ihy n SER 718 N 1.06 2.76 -0.09 3.58 2.88 0.10 -3.50 113.62 120.41 3ihy n SER 718 Ca -0.15 1.20 -0.11 0.00 -1.33 0.00 0.00 58.87 58.49 3ihy n SER 718 Cb 0.52 -1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.47 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 2.64 0.37 -0.20 -1.46 0.00 -1.92 -2.11 119.26 116.57 3ihy h ALA 719 Ca -0.46 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.27 3ihy h ALA 719 Cb 1.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ihy h ALA 719 CO 0.63 0.06 0.09 1.49 0.00 0.00 0.00 179.25 181.52 3ihy h GLU 720 N 0.27 0.19 0.18 0.00 4.81 -1.97 -1.47 114.58 116.57 3ihy h GLU 720 Ca 0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3ihy h GLU 720 Cb 0.35 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3ihy h GLU 720 CO 0.01 0.12 -0.12 0.28 -0.73 0.00 0.00 179.01 178.57 3ihy h VAL 721 N 0.19 0.74 -0.40 0.32 2.07 -1.74 -1.09 116.25 116.34 3ihy h VAL 721 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3ihy h VAL 721 Cb 0.04 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3ihy h VAL 721 CO -0.07 0.00 0.27 -0.03 0.02 0.00 0.00 177.57 177.75 3ihy h MET 722 N -0.30 0.46 -0.24 1.57 1.85 -1.34 0.15 114.93 117.08 3ihy h MET 722 Ca -0.01 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 3ihy h MET 722 Cb 0.26 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 3ihy h MET 722 CO 0.00 0.30 0.07 0.22 -0.40 0.00 0.00 176.91 177.11 3ihy h ASP 723 N 0.47 0.36 -0.10 1.39 3.58 -0.83 -0.88 116.42 120.40 3ihy h ASP 723 Ca 0.16 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.41 3ihy h ASP 723 Cb 0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3ihy h ASP 723 CO -0.04 0.47 0.02 0.74 -2.88 0.00 0.00 179.24 177.55 3ihy h THR 724 N 0.22 0.95 -0.89 2.25 2.02 -0.48 -2.40 112.91 114.58 3ihy h THR 724 Ca 0.08 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.27 3ihy h THR 724 Cb 0.25 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3ihy h THR 724 CO -0.00 0.01 0.58 0.22 0.37 0.00 0.00 175.52 176.69 3ihy h TYR 725 N 0.06 1.08 -0.02 3.16 5.03 -0.59 -2.13 116.97 123.55 3ihy h TYR 725 Ca 0.05 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 3ihy h TYR 725 Cb 0.04 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 37.96 3ihy h TYR 725 CO -0.12 0.61 -0.01 0.28 -1.32 0.00 0.00 178.16 177.60 3ihy h VAL 726 N 1.11 1.34 -0.99 1.81 2.07 -1.13 -2.28 116.25 118.18 3ihy h VAL 726 Ca 0.36 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3ihy h VAL 726 Cb 0.03 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3ihy h VAL 726 CO -0.13 0.27 0.65 0.11 0.02 0.00 0.00 177.57 178.50 3ihy h LYS 727 N -0.36 1.30 0.01 1.57 1.57 -1.33 0.10 116.57 119.43 3ihy h LYS 727 Ca 0.01 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3ihy h LYS 727 Cb 0.45 -0.29 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ihy h LYS 727 CO 0.00 0.86 -0.39 0.66 -0.57 0.00 0.00 179.45 180.01 3ihy h SER 728 N 1.34 0.33 -0.69 0.86 4.64 -1.13 0.17 113.55 119.07 3ihy h SER 728 Ca 0.36 -0.79 0.15 0.00 -0.47 0.00 0.00 61.79 61.04 3ihy h SER 728 Cb -0.15 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 61.72 3ihy h SER 728 CO -0.08 1.08 0.07 0.00 -0.87 0.00 0.00 176.83 177.04 3ihy h ALA 730 N 1.61 0.40 -0.24 0.00 0.00 -0.64 -0.84 119.26 119.55 3ihy h ALA 730 Ca 0.38 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 3ihy h ALA 730 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ihy h ALA 730 CO -0.55 -0.16 -0.45 0.78 0.00 0.00 0.00 179.25 178.88 3ihy h GLY 731 N 0.40 0.68 1.60 0.00 0.00 0.06 -2.72 103.07 103.08 3ihy h GLY 731 Ca 0.12 -0.71 -0.21 0.00 0.00 0.00 0.00 47.33 46.53 3ihy h GLY 731 CO -0.05 0.64 -0.87 -0.97 0.00 0.00 0.00 176.54 175.30 3ihy h TYR 732 N 0.50 0.53 -0.10 5.60 0.05 -0.33 -0.75 116.97 122.48 3ihy h TYR 732 Ca 0.03 -0.27 0.04 0.00 0.05 0.00 0.00 58.73 58.57 3ihy h TYR 732 Cb 0.98 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.61 3ihy h TYR 732 CO 0.04 1.07 -0.15 0.00 -1.05 0.00 0.00 178.16 178.08 3ihy h VAL 734 N -0.20 1.30 -0.09 0.00 2.07 -1.48 -1.02 116.25 116.82 3ihy h VAL 734 Ca 0.08 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 3ihy h VAL 734 Cb 0.32 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3ihy h VAL 734 CO -0.22 0.45 -0.04 0.40 0.02 0.00 0.00 177.57 178.18 3ihy h ILE 735 N 0.47 1.32 0.00 4.57 2.04 -1.02 -0.91 117.51 123.98 3ihy h ILE 735 Ca 0.06 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3ihy h ILE 735 Cb 0.79 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3ihy h ILE 735 CO 0.06 0.29 -0.17 0.71 0.00 0.00 0.00 178.15 179.05 3ihy h THR 736 N -0.16 0.76 0.12 -0.27 1.35 0.10 -2.27 112.91 112.53 3ihy h THR 736 Ca 0.02 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 3ihy h THR 736 Cb 0.49 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3ihy h THR 736 CO 0.01 0.17 -0.06 0.22 -0.25 0.00 0.00 175.52 175.61 3ihy h TYR 737 N 0.00 -0.15 0.30 4.73 3.20 -1.04 -0.80 116.97 123.22 3ihy h TYR 737 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3ihy h TYR 737 Cb 0.40 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3ihy h TYR 737 CO 0.00 0.23 -0.15 0.82 -1.64 0.00 0.00 178.16 177.43 3ihy h ILE 738 N -0.55 0.71 0.00 1.81 2.04 -0.91 -2.01 117.51 118.60 3ihy h ILE 738 Ca -0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3ihy h ILE 738 Cb 0.44 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3ihy h ILE 738 CO 0.03 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.37 3ihy n LEU 739 N -5.25 0.00 -3.03 1.44 4.77 -0.88 -4.66 117.00 109.40 3ihy n LEU 739 Ca -0.10 0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 56.09 3ihy n LEU 739 Cb 0.19 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 3ihy n LEU 739 CO 0.35 -0.18 0.18 0.61 -1.33 0.00 0.00 177.39 177.02 3ihy n GLY 740 N 0.11 -0.26 3.71 -0.72 0.00 -0.76 -1.44 105.19 105.82 3ihy n GLY 740 Ca 0.06 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.27 3.78 0.32 1.61 1.01 -0.37 -2.05 120.40 121.43 3ihy s VAL 741 Ca 0.36 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.61 3ihy s VAL 741 Cb -0.16 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3ihy s VAL 741 CO 0.60 0.06 0.21 0.61 0.00 0.00 0.00 175.10 176.58 3ihy n GLY 742 N 3.41 3.01 2.38 4.51 0.00 0.12 -4.79 105.19 113.82 3ihy n GLY 742 Ca 0.11 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.80 -4.64 -4.54 1.61 2.03 -1.26 -4.47 116.55 103.48 3ihy n ASP 743 Ca -0.03 -0.06 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 3ihy n ASP 743 Cb 0.37 -3.71 -0.03 0.00 -0.72 0.00 0.00 41.12 37.03 3ihy n ASP 743 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ihy s ARG 744 N -4.90 3.19 0.46 -0.67 1.81 -1.26 -4.92 118.95 112.66 3ihy s ARG 744 Ca 0.05 -0.31 0.04 0.00 -1.72 0.00 0.00 55.73 53.80 3ihy s ARG 744 Cb -0.02 -4.18 -0.05 0.00 -0.45 0.00 0.00 34.95 30.25 3ihy s ARG 744 CO 0.06 -2.07 0.03 -3.38 -0.68 0.00 0.00 175.30 169.26 3ihy s HIS 745 N 5.44 2.21 -2.00 -0.53 -3.43 -1.26 -5.04 115.29 110.68 3ihy s HIS 745 Ca 0.33 -0.80 0.09 0.00 -0.80 0.00 0.00 55.06 53.89 3ihy s HIS 745 Cb -0.09 -1.72 0.55 0.00 -1.43 0.00 0.00 32.58 29.89 3ihy s HIS 745 CO 0.15 0.31 1.02 1.28 -2.00 0.00 0.00 174.74 175.50 3ihy n LEU 746 N -1.14 0.00 -1.10 5.38 4.77 -1.26 -1.00 117.00 122.65 3ihy n LEU 746 Ca -0.11 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.96 3ihy n LEU 746 Cb 0.67 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 42.02 3ihy n LEU 746 CO 0.44 0.00 0.72 0.47 -1.33 0.00 0.00 177.39 177.69 3ihy n ASP 747 N -0.76 3.63 -0.13 -1.43 8.00 -1.26 0.36 116.55 124.96 3ihy n ASP 747 Ca 0.07 -2.04 0.03 0.00 0.71 0.00 0.00 54.79 53.57 3ihy n ASP 747 Cb 0.03 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.72 3ihy n ASP 747 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ihy n ASN 748 N 1.18 0.90 -4.51 -2.24 3.02 -0.17 -4.92 115.26 108.53 3ihy n ASN 748 Ca 0.20 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.38 3ihy n ASN 748 Cb 0.57 0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 40.21 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 -1.58 4.70 0.05 3.41 1.02 -1.21 -1.55 118.68 123.53 3ihy s LEU 749 Ca 0.05 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.72 3ihy s LEU 749 Cb 0.06 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 43.88 3ihy s LEU 749 CO 0.20 -0.47 0.06 -0.76 0.02 0.00 0.00 176.35 175.40 3ihy s LEU 750 N 2.05 3.74 -0.11 1.79 1.02 -0.20 0.35 118.68 127.32 3ihy s LEU 750 Ca 0.11 0.00 0.02 0.00 0.02 0.00 0.00 54.13 54.29 3ihy s LEU 750 Cb -0.17 -2.34 0.01 0.00 0.02 0.00 0.00 46.19 43.71 3ihy s LEU 750 CO 0.13 0.21 -0.17 -0.76 0.02 0.00 0.00 176.35 175.77 3ihy s LEU 751 N -2.13 1.83 0.23 1.79 1.43 0.21 -1.34 118.68 120.70 3ihy s LEU 751 Ca 0.26 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3ihy s LEU 751 Cb -0.12 -1.17 -0.08 0.00 0.03 0.00 0.00 46.19 44.85 3ihy s LEU 751 CO 0.18 0.05 0.62 0.42 0.23 0.00 0.00 176.35 177.85 3ihy s THR 752 N 0.84 4.79 -2.00 5.49 -4.23 0.01 -0.42 115.64 120.11 3ihy s THR 752 Ca -0.09 0.81 0.10 0.00 -1.18 0.00 0.00 61.69 61.33 3ihy s THR 752 Cb -0.16 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.28 3ihy s THR 752 CO 0.00 0.03 1.01 0.29 -0.54 0.00 0.00 174.62 175.42 3ihy n LYS 753 N 0.20 0.36 0.05 3.99 5.02 -1.26 -0.68 118.16 125.84 3ihy n LYS 753 Ca -0.01 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3ihy n LYS 753 Cb 0.52 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.93 0.33 0.00 -0.18 -2.24 -1.26 -4.74 114.28 105.26 3ihy n THR 754 Ca 0.07 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3ihy n THR 754 Cb 0.03 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.29 1.33 3.67 3.38 0.00 0.15 -4.36 105.19 110.65 3ihy n GLY 755 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.17 -0.24 1.61 1.02 -1.23 -2.89 119.74 122.17 3ihy s LYS 756 Ca 0.00 2.39 -0.11 0.00 0.02 0.00 0.00 55.97 58.27 3ihy s LYS 756 Cb 0.00 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 3ihy s LYS 756 CO 0.00 -0.85 0.17 -1.17 -0.92 0.00 0.00 175.35 172.59 3ihy s LEU 757 N 3.66 4.11 0.25 3.17 0.20 -1.26 -0.81 118.68 128.00 3ihy s LEU 757 Ca 0.79 0.12 0.01 0.00 0.69 0.00 0.00 54.13 55.73 3ihy s LEU 757 Cb -0.39 -2.12 -0.05 0.00 -0.43 0.00 0.00 46.19 43.20 3ihy s LEU 757 CO 0.34 0.05 0.10 0.72 -0.29 0.00 0.00 176.35 177.27 3ihy s PHE 758 N 1.14 1.51 -0.07 5.38 -0.71 -0.45 -4.56 117.98 120.23 3ihy s PHE 758 Ca 0.08 -1.19 0.02 0.00 -1.04 0.00 0.00 56.93 54.80 3ihy s PHE 758 Cb -0.14 -0.88 -0.03 0.00 -1.21 0.00 0.00 43.02 40.77 3ihy s PHE 758 CO 0.05 -0.35 -0.12 -1.01 -1.34 0.00 0.00 175.22 172.46 3ihy s HIS 759 N -3.78 2.80 0.42 3.49 3.76 -1.26 -1.03 115.29 119.70 3ihy s HIS 759 Ca 0.38 -0.15 0.07 0.00 -0.15 0.00 0.00 55.06 55.20 3ihy s HIS 759 Cb 0.08 -1.69 -0.06 0.00 1.11 0.00 0.00 32.58 32.02 3ihy s HIS 759 CO 0.13 0.19 0.09 0.96 -0.85 0.00 0.00 174.74 175.26 3ihy s ILE 760 N -0.62 2.04 -0.22 0.60 -4.36 -0.59 -4.99 121.20 113.06 3ihy s ILE 760 Ca 0.09 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 58.57 3ihy s ILE 760 Cb -0.11 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.71 3ihy s ILE 760 CO 0.01 0.00 0.19 -0.67 0.24 0.00 0.00 174.94 174.71 3ihy n ASP 761 N -1.13 -5.46 -2.76 4.36 -0.08 -1.26 -4.83 116.55 105.39 3ihy n ASP 761 Ca -0.05 0.55 -0.35 0.00 -1.51 0.00 0.00 54.79 53.44 3ihy n ASP 761 Cb 0.66 -3.53 0.02 0.00 2.34 0.00 0.00 41.12 40.62 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 -0.02 3.16 0.80 -0.67 3.72 -1.26 -4.63 117.46 118.56 3ihy n PHE 762 Ca 0.04 -2.66 0.12 0.00 -0.05 0.00 0.00 57.45 54.89 3ihy n PHE 762 Cb 0.14 -0.75 0.50 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.50 -1.33 2.96 1.37 0.00 -1.26 -4.54 105.19 101.89 3ihy n GLY 763 Ca 0.48 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.01 2.52 0.18 1.61 2.02 -1.26 -4.96 117.35 114.44 3ihy s TYR 764 Ca 0.11 -1.81 -0.00 0.00 -0.37 0.00 0.00 57.07 55.00 3ihy s TYR 764 Cb 0.15 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 3ihy s TYR 764 CO 0.44 -0.78 0.07 0.96 -1.57 0.00 0.00 175.55 174.67 3ihy s ILE 765 N 1.35 0.25 -1.39 2.71 -4.36 -1.26 0.14 121.20 118.65 3ihy s ILE 765 Ca -0.06 -1.96 -0.03 0.00 -0.26 0.00 0.00 60.65 58.34 3ihy s ILE 765 Cb -0.19 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.25 3ihy s ILE 765 CO -0.06 -0.25 0.27 0.18 0.24 0.00 0.00 174.94 175.32 3ihy n LEU 766 N -0.23 -1.81 0.00 0.37 4.77 -0.52 -2.57 117.00 117.01 3ihy n LEU 766 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3ihy n LEU 766 Cb 0.65 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 3ihy n LEU 766 CO 0.33 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3ihy n GLY 767 N -1.12 2.04 3.77 -0.72 0.00 -1.10 -5.02 105.19 103.04 3ihy n GLY 767 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.07 4.51 -0.15 1.61 0.52 -1.06 -4.96 118.95 119.34 3ihy s ARG 768 Ca 0.00 1.66 -0.18 0.00 -0.52 0.00 0.00 55.73 56.69 3ihy s ARG 768 Cb 0.00 -2.98 0.05 0.00 0.52 0.00 0.00 34.95 32.54 3ihy s ARG 768 CO 0.00 0.14 0.49 0.34 0.02 0.00 0.00 175.30 176.28 3ihy s ASP 769 N -1.15 -0.49 0.24 0.23 2.15 -1.26 -3.67 116.67 112.72 3ihy s ASP 769 Ca 0.48 0.86 -0.05 0.00 0.43 0.00 0.00 52.55 54.27 3ihy s ASP 769 Cb -0.28 0.89 0.36 0.00 -0.30 0.00 0.00 42.92 43.58 3ihy s ASP 769 CO 0.35 -0.24 1.82 1.55 -0.17 0.00 0.00 175.17 178.48 3ihy h PRO 770 N 4.97 0.79 -6.99 4.34 0.13 -1.97 -3.42 132.00 129.85 3ihy h PRO 770 Ca -0.28 -0.05 -0.45 0.00 -0.87 0.00 0.00 66.00 64.35 3ihy h PRO 770 Cb 1.17 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3ihy h PRO 770 CO 0.24 0.52 0.28 0.15 -0.23 0.00 0.00 178.00 178.96 3ihy s LYS 771 N -6.05 4.17 0.54 0.86 1.02 -1.26 -5.06 119.74 113.96 3ihy s LYS 771 Ca -0.12 1.01 -0.16 0.00 0.02 0.00 0.00 55.97 56.71 3ihy s LYS 771 Cb 0.19 -2.24 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 3ihy s LYS 771 CO 0.78 0.01 1.01 -2.14 -0.92 0.00 0.00 175.35 174.08 3ihy s PRO 772 N -3.16 3.78 -0.43 -1.68 0.02 -1.26 -4.32 135.00 127.94 3ihy s PRO 772 Ca 0.60 1.03 -0.25 0.00 0.02 0.00 0.00 61.00 62.40 3ihy s PRO 772 Cb -0.09 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.35 3ihy s PRO 772 CO 0.15 -0.42 0.61 1.28 -0.33 0.00 0.00 177.00 178.29 3ihy n LEU 773 N -1.70 -5.80 -4.81 -5.54 4.77 -1.26 -4.98 117.00 97.69 3ihy n LEU 773 Ca 0.07 0.28 -0.39 0.00 -0.03 0.00 0.00 56.01 55.95 3ihy n LEU 773 Cb 0.54 -2.69 -0.06 0.00 -2.33 0.00 0.00 43.42 38.88 3ihy n LEU 773 CO 0.47 -1.46 0.28 -2.16 -1.33 0.00 0.00 177.39 173.19 3ihy s PRO 774 N -2.51 4.22 0.09 3.23 0.04 -1.26 -5.04 135.00 133.78 3ihy s PRO 774 Ca 0.30 0.76 -0.34 0.00 0.04 0.00 0.00 61.00 61.76 3ihy s PRO 774 Cb -0.06 -3.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.11 3ihy s PRO 774 CO 0.80 0.63 1.70 -0.35 0.04 0.00 0.00 177.00 179.82 3ihy n PRO 775 N 1.75 2.27 -0.06 0.56 -0.04 -1.26 -4.86 135.00 133.35 3ihy n PRO 775 Ca -0.10 0.82 0.24 0.00 -0.04 0.00 0.00 63.50 64.42 3ihy n PRO 775 Cb 0.51 -2.63 0.71 0.00 -0.04 0.00 0.00 33.50 32.05 3ihy n PRO 775 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3ihy h PRO 776 N 7.15 0.00 -4.60 0.54 0.11 -2.00 -3.39 132.00 129.81 3ihy h PRO 776 Ca -0.46 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.08 3ihy h PRO 776 Cb 1.25 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.01 3ihy h PRO 776 CO 0.91 0.00 -0.83 1.41 -0.21 0.00 0.00 178.00 179.29 3ihy s MET 777 N -4.96 2.04 -0.84 1.05 -2.45 -1.26 -4.76 119.30 108.12 3ihy s MET 777 Ca -0.05 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 53.88 3ihy s MET 777 Cb 0.20 -1.82 0.18 0.00 1.25 0.00 0.00 34.83 34.64 3ihy s MET 777 CO 0.73 -0.13 2.36 1.63 1.05 0.00 0.00 175.02 180.66 3ihy n LYS 778 N 4.43 3.49 -3.63 4.11 4.76 -1.26 -4.93 118.16 125.14 3ihy n LYS 778 Ca -0.18 -3.25 -0.32 0.00 -2.87 0.00 0.00 58.31 51.69 3ihy n LYS 778 Cb 0.51 -2.34 -0.05 0.00 -1.84 0.00 0.00 35.03 31.31 3ihy n LYS 778 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3ihy s LEU 779 N -2.96 4.27 0.03 -0.35 2.96 -1.26 -4.93 118.68 116.44 3ihy s LEU 779 Ca 0.53 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3ihy s LEU 779 Cb 0.32 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 3ihy s LEU 779 CO -0.22 0.06 -0.05 0.21 -1.32 0.00 0.00 176.35 175.02 3ihy s ASN 780 N -2.32 0.53 0.07 3.68 3.04 -1.26 -4.95 114.94 113.72 3ihy s ASN 780 Ca 0.41 -0.59 -0.25 0.00 0.04 0.00 0.00 52.86 52.46 3ihy s ASN 780 Cb -0.12 0.09 -0.16 0.00 -1.54 0.00 0.00 41.25 39.51 3ihy s ASN 780 CO 0.23 -0.30 1.62 0.11 -3.04 0.00 0.00 177.10 175.73 3ihy h LYS 781 N 4.37 -0.20 0.00 0.43 1.57 -1.97 -2.02 116.57 118.75 3ihy h LYS 781 Ca -0.34 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3ihy h LYS 781 Cb 1.20 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3ihy h LYS 781 CO 0.44 -0.07 0.00 1.05 -0.57 0.00 0.00 179.45 180.31 3ihy h GLU 782 N -0.29 0.00 -0.41 3.15 9.09 -2.00 -2.95 114.58 121.17 3ihy h GLU 782 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.33 3ihy h GLU 782 Cb 0.23 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.31 3ihy h GLU 782 CO 0.04 0.00 0.02 1.98 0.05 0.00 0.00 179.01 181.10 3ihy h MET 783 N 0.00 0.72 -0.05 1.06 4.05 -1.93 -2.96 114.93 115.83 3ihy h MET 783 Ca 0.00 -0.22 -0.15 0.00 -0.28 0.00 0.00 59.70 59.05 3ihy h MET 783 Cb 0.77 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 3ihy h MET 783 CO 0.00 0.78 -0.64 0.28 0.23 0.00 0.00 176.91 177.56 3ihy h VAL 784 N 0.56 1.41 -0.39 -5.77 2.07 -1.22 -3.14 116.25 109.77 3ihy h VAL 784 Ca 0.12 -2.09 -0.11 0.00 0.82 0.00 0.00 66.70 65.44 3ihy h VAL 784 Cb 0.44 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3ihy h VAL 784 CO 0.02 0.61 -0.19 -0.33 0.02 0.00 0.00 177.57 177.70 3ihy h GLU 785 N 0.14 0.75 -0.80 1.57 5.08 -1.57 -2.10 114.58 117.65 3ihy h GLU 785 Ca -0.01 -0.28 0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3ihy h GLU 785 Cb 1.16 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.26 3ihy h GLU 785 CO 0.10 0.88 0.31 0.78 -1.00 0.00 0.00 179.01 180.08 3ihy h GLY 786 N 0.97 1.23 2.00 -3.84 0.00 -1.47 0.15 103.07 102.12 3ihy h GLY 786 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3ihy h GLY 786 CO 0.05 -0.15 -0.11 -0.33 0.00 0.00 0.00 176.54 175.99 3ihy h MET 787 N 0.41 0.00 0.00 4.80 2.86 -1.53 -3.44 114.93 118.03 3ihy h MET 787 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 3ihy h MET 787 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3ihy h MET 787 CO -0.45 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.04 3ihy n GLY 788 N -0.43 1.08 0.30 8.32 0.00 0.54 -4.43 105.19 110.57 3ihy n GLY 788 Ca -0.01 0.00 0.04 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 -0.06 -2.30 0.00 -0.02 0.00 -0.82 -3.45 105.19 98.54 3ihy n GLY 789 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.76 0.47 -0.26 2.61 -2.24 -1.26 -2.12 114.28 108.72 3ihy n THR 790 Ca -0.01 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3ihy n THR 790 Cb 0.14 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.14 0.98 -1.91 -0.78 6.02 -1.26 -4.93 117.38 114.35 3ihy n GLN 791 Ca 0.03 -0.87 -0.29 0.00 -0.01 0.00 0.00 57.00 55.86 3ihy n GLN 791 Cb 0.03 -0.87 0.10 0.00 1.02 0.00 0.00 30.24 30.52 3ihy n GLN 791 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3ihy s SER 792 N -0.43 4.37 0.16 1.08 1.04 -0.90 -4.97 113.70 114.05 3ihy s SER 792 Ca 0.00 0.73 0.25 0.00 0.48 0.00 0.00 55.95 57.41 3ihy s SER 792 Cb 0.00 -1.18 0.50 0.00 0.10 0.00 0.00 66.02 65.45 3ihy s SER 792 CO 0.00 -1.99 1.48 1.05 0.98 0.00 0.00 173.24 174.77 3ihy h GLU 793 N -1.11 0.00 -0.04 4.02 4.11 -1.90 -3.29 114.58 116.37 3ihy h GLU 793 Ca -0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.93 3ihy h GLU 793 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3ihy h GLU 793 CO 0.63 0.00 -0.14 1.96 0.07 0.00 0.00 179.01 181.53 3ihy h GLN 794 N 0.00 0.16 -1.06 1.06 7.50 -1.94 -3.02 115.11 117.81 3ihy h GLN 794 Ca 0.00 -0.12 0.29 0.00 0.50 0.00 0.00 58.65 59.32 3ihy h GLN 794 Cb 0.75 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.24 3ihy h GLN 794 CO 0.00 0.76 0.74 -0.92 -1.50 0.00 0.00 178.83 177.91 3ihy h TYR 795 N -0.40 0.23 -0.07 2.96 3.20 -1.77 0.19 116.97 121.32 3ihy h TYR 795 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3ihy h TYR 795 Cb 0.78 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3ihy h TYR 795 CO 0.14 0.02 -0.08 1.96 -1.64 0.00 0.00 178.16 178.56 3ihy h GLN 796 N 0.14 0.17 -0.73 1.82 1.08 -1.63 -2.47 115.11 113.48 3ihy h GLN 796 Ca 0.54 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.69 3ihy h GLN 796 Cb 1.86 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.25 3ihy h GLN 796 CO -0.10 0.63 0.48 1.49 -0.95 0.00 0.00 178.83 180.38 3ihy h GLU 797 N -0.28 0.84 0.10 1.46 4.57 -0.81 -1.47 114.58 118.98 3ihy h GLU 797 Ca 0.01 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3ihy h GLU 797 Cb 0.60 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3ihy h GLU 797 CO 0.02 0.56 -0.14 0.35 -1.18 0.00 0.00 179.01 178.62 3ihy h PHE 798 N 0.87 -0.36 -0.53 0.92 3.57 -0.64 -0.68 116.94 120.09 3ihy h PHE 798 Ca 0.30 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3ihy h PHE 798 Cb 0.10 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3ihy h PHE 798 CO -0.00 -0.21 0.29 0.00 -2.23 0.00 0.00 178.31 176.16 3ihy h ARG 799 N -0.28 0.72 -0.55 1.11 3.08 -1.07 -1.85 114.38 115.54 3ihy h ARG 799 Ca 0.02 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3ihy h ARG 799 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3ihy h ARG 799 CO -0.07 0.53 0.21 -0.22 -1.07 0.00 0.00 179.97 179.36 3ihy h LYS 800 N 0.73 0.82 -0.05 0.04 3.64 -0.65 -2.88 116.57 118.22 3ihy h LYS 800 Ca 0.19 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 3ihy h LYS 800 Cb 0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3ihy h LYS 800 CO -0.03 0.72 -0.73 1.96 -2.27 0.00 0.00 179.45 179.09 3ihy h GLN 801 N 0.74 0.27 0.44 1.90 1.08 -0.95 -1.77 115.11 116.82 3ihy h GLN 801 Ca 0.18 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3ihy h GLN 801 Cb 0.21 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3ihy h GLN 801 CO -0.01 0.89 -0.41 0.00 -0.95 0.00 0.00 178.83 178.35 3ihy h TYR 803 N -0.86 0.28 -0.11 0.00 -0.00 -1.50 0.17 116.97 114.95 3ihy h TYR 803 Ca -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 58.73 58.57 3ihy h TYR 803 Cb 0.75 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.43 3ihy h TYR 803 CO -0.21 0.76 0.01 1.79 -0.00 0.00 0.00 178.16 180.50 3ihy h THR 804 N 0.17 1.24 -0.50 -0.90 1.35 -1.26 -2.29 112.91 110.72 3ihy h THR 804 Ca -0.00 -0.77 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 3ihy h THR 804 Cb 1.08 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 69.01 3ihy h THR 804 CO 0.09 0.22 0.29 0.00 -0.25 0.00 0.00 175.52 175.87 3ihy h ALA 805 N 0.76 1.56 0.00 6.62 0.00 -0.61 -2.51 119.26 125.08 3ihy h ALA 805 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3ihy h ALA 805 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ihy h ALA 805 CO 0.00 0.38 -0.24 0.35 0.00 0.00 0.00 179.25 179.74 3ihy h PHE 806 N 0.69 0.00 0.11 0.00 3.57 -0.64 -1.32 116.94 119.36 3ihy h PHE 806 Ca 0.18 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.46 3ihy h PHE 806 Cb -0.00 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.76 3ihy h PHE 806 CO 0.00 0.24 -0.92 -0.07 -2.23 0.00 0.00 178.31 175.33 3ihy h LEU 807 N 0.00 0.61 -0.77 0.59 3.38 -1.07 -2.60 115.31 115.45 3ihy h LEU 807 Ca -0.00 -0.87 0.01 0.00 0.09 0.00 0.00 57.88 57.11 3ihy h LEU 807 Cb 0.43 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3ihy h LEU 807 CO 0.03 1.43 0.51 0.45 0.09 0.00 0.00 178.44 180.95 3ihy h HIS 808 N -0.11 0.96 -0.19 1.13 3.86 -1.32 -1.99 115.15 117.49 3ihy h HIS 808 Ca -0.15 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 3ihy h HIS 808 Cb 1.67 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.82 3ihy h HIS 808 CO 0.16 0.59 -0.32 -0.07 0.86 0.00 0.00 177.93 179.16 3ihy h LEU 809 N 1.03 0.61 -1.57 2.43 3.38 -1.38 -3.17 115.31 116.63 3ihy h LEU 809 Ca 0.29 -0.53 0.30 0.00 0.09 0.00 0.00 57.88 58.03 3ihy h LEU 809 Cb -0.09 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 3ihy h LEU 809 CO -0.07 1.02 0.73 0.03 0.09 0.00 0.00 178.44 180.25 3ihy h ARG 810 N 0.21 0.24 0.00 1.13 3.08 -1.08 0.24 114.38 118.20 3ihy h ARG 810 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ihy h ARG 810 Cb 0.90 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 3ihy h ARG 810 CO 0.07 0.16 -0.07 0.00 -1.07 0.00 0.00 179.97 179.06 3ihy h ARG 811 N 0.25 0.00 -0.48 0.04 3.08 -1.34 -2.89 114.38 113.03 3ihy h ARG 811 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 3ihy h ARG 811 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.86 3ihy h ARG 811 CO -0.21 0.07 0.00 0.66 -1.07 0.00 0.00 179.97 179.42 3ihy n TYR 812 N -3.89 1.26 -0.30 3.04 4.01 0.85 -4.60 117.16 117.53 3ihy n TYR 812 Ca -0.02 -0.68 0.12 0.00 -0.16 0.00 0.00 57.90 57.15 3ihy n TYR 812 Cb 0.17 -0.27 0.29 0.00 -0.31 0.00 0.00 39.34 39.22 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 3.11 0.29 -0.33 7.72 4.64 -1.40 -1.34 113.55 126.24 3ihy h SER 813 Ca 0.00 0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.55 3ihy h SER 813 Cb 1.42 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 63.56 3ihy h SER 813 CO 0.23 -0.00 -0.28 0.78 -0.87 0.00 0.00 176.83 176.69 3ihy h ASN 814 N 0.39 -0.91 -0.25 4.97 4.21 -1.85 0.17 115.58 122.31 3ihy h ASN 814 Ca 0.54 0.17 0.01 0.00 1.21 0.00 0.00 56.30 58.23 3ihy h ASN 814 Cb 1.02 0.43 -0.01 0.00 -1.12 0.00 0.00 38.32 38.64 3ihy h ASN 814 CO -0.53 -0.30 0.15 0.25 -1.29 0.00 0.00 177.43 175.72 3ihy h LEU 815 N -0.24 0.26 -0.27 1.61 5.85 -1.70 -2.48 115.31 118.34 3ihy h LEU 815 Ca 0.16 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3ihy h LEU 815 Cb 0.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3ihy h LEU 815 CO -0.47 0.19 0.11 0.40 -0.34 0.00 0.00 178.44 178.33 3ihy h ILE 816 N 0.32 1.17 -0.31 4.05 2.04 -0.81 -1.40 117.51 122.56 3ihy h ILE 816 Ca 0.09 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 3ihy h ILE 816 Cb -0.02 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3ihy h ILE 816 CO -0.03 0.17 -0.03 -0.07 0.00 0.00 0.00 178.15 178.19 3ihy h LEU 817 N 0.29 0.46 -0.52 1.44 3.38 -0.68 -0.79 115.31 118.88 3ihy h LEU 817 Ca 0.09 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3ihy h LEU 817 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ihy h LEU 817 CO -0.01 0.55 -0.34 0.78 0.09 0.00 0.00 178.44 179.51 3ihy h ASN 818 N 0.46 0.88 -0.39 -0.43 2.35 -1.25 -0.59 115.58 116.62 3ihy h ASN 818 Ca 0.10 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 3ihy h ASN 818 Cb 0.35 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3ihy h ASN 818 CO 0.01 1.13 0.07 -0.07 -1.65 0.00 0.00 177.43 176.93 3ihy h LEU 819 N 0.70 0.60 -0.14 1.61 3.38 -0.58 -2.61 115.31 118.28 3ihy h LEU 819 Ca 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ihy h LEU 819 Cb 0.90 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ihy h LEU 819 CO 0.08 0.70 0.07 -0.26 0.09 0.00 0.00 178.44 179.12 3ihy h PHE 820 N 0.48 0.19 -0.73 1.13 0.04 -1.15 -3.06 116.94 113.85 3ihy h PHE 820 Ca 0.12 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.05 3ihy h PHE 820 Cb 0.34 -0.06 -0.12 0.00 2.20 0.00 0.00 35.95 38.31 3ihy h PHE 820 CO 0.02 0.21 0.04 0.77 -0.60 0.00 0.00 178.31 178.75 3ihy h SER 821 N 0.12 -0.26 0.01 2.17 0.02 -1.05 0.40 113.55 114.95 3ihy h SER 821 Ca 0.05 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3ihy h SER 821 Cb 0.08 0.30 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3ihy h SER 821 CO -0.01 -0.14 0.00 0.18 -1.14 0.00 0.00 176.83 175.72 3ihy n LEU 822 N -5.30 0.00 -0.23 5.07 4.77 -0.99 -2.36 117.00 117.96 3ihy n LEU 822 Ca 0.13 0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.16 3ihy n LEU 822 Cb 0.45 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3ihy n LEU 822 CO 0.07 -0.02 0.35 0.80 -1.33 0.00 0.00 177.39 177.27 3ihy n MET 823 N -1.02 -0.03 0.18 3.23 1.56 0.14 -4.24 117.12 116.94 3ihy n MET 823 Ca 0.04 -0.89 0.13 0.00 -0.27 0.00 0.00 57.70 56.71 3ihy n MET 823 Cb 0.02 -1.11 0.65 0.00 2.15 0.00 0.00 33.22 34.93 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 1.12 0.00 -0.07 1.12 -1.51 -1.38 -1.36 116.25 114.17 3ihy h VAL 824 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 3ihy h VAL 824 Cb 0.26 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 3ihy h VAL 824 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 3ihy n ASP 825 N -2.37 2.08 -4.80 4.19 9.92 -1.26 -4.66 116.55 119.65 3ihy n ASP 825 Ca -0.01 -1.86 -0.33 0.00 -0.53 0.00 0.00 54.79 52.06 3ihy n ASP 825 Cb 0.08 -0.05 -0.01 0.00 -0.64 0.00 0.00 41.12 40.50 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 -0.88 2.81 -1.26 2.24 0.00 -0.51 -4.95 121.76 119.21 3ihy s ALA 826 Ca 0.05 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 3ihy s ALA 826 Cb 0.03 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3ihy s ALA 826 CO 0.04 -0.58 1.81 0.09 0.00 0.00 0.00 175.76 177.12 3ihy n ASN 827 N -1.59 4.31 -3.63 0.00 5.03 -1.26 -4.51 115.26 113.61 3ihy n ASN 827 Ca 0.09 -2.85 -0.26 0.00 0.87 0.00 0.00 54.58 52.44 3ihy n ASN 827 Cb 0.53 -1.75 -0.17 0.00 -1.02 0.00 0.00 39.78 37.37 3ihy n ASN 827 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ihy s ILE 828 N 6.50 -0.03 0.14 2.41 1.01 -1.26 -4.89 121.20 125.08 3ihy s ILE 828 Ca 0.59 -0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.83 3ihy s ILE 828 Cb 0.03 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 3ihy s ILE 828 CO 0.10 -0.23 1.33 -2.65 0.00 0.00 0.00 174.94 173.49 3ihy n PRO 829 N 5.26 -0.37 0.00 2.79 -0.02 -1.26 0.05 135.00 141.45 3ihy n PRO 829 Ca -0.07 1.30 0.09 0.00 -2.02 0.00 0.00 63.50 62.80 3ihy n PRO 829 Cb 0.49 -1.92 0.43 0.00 -0.02 0.00 0.00 33.50 32.48 3ihy n PRO 829 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ihy n ASP 830 N -5.09 0.00 -0.12 2.55 9.92 -1.26 -1.09 116.55 121.47 3ihy n ASP 830 Ca 0.02 0.15 -0.24 0.00 -0.53 0.00 0.00 54.79 54.19 3ihy n ASP 830 Cb 0.23 -0.34 -0.11 0.00 -0.64 0.00 0.00 41.12 40.26 3ihy n ASP 830 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3ihy n ILE 831 N -1.34 1.53 0.17 0.53 5.41 0.11 -4.50 119.36 121.26 3ihy n ILE 831 Ca 0.07 -0.14 0.17 0.00 1.00 0.00 0.00 62.75 63.86 3ihy n ILE 831 Cb 0.16 -1.99 0.79 0.00 -0.71 0.00 0.00 39.64 37.88 3ihy n ILE 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ihy h ALA 832 N -0.65 1.96 -0.43 -1.39 0.00 -0.34 -1.46 119.26 116.95 3ihy h ALA 832 Ca -0.46 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3ihy h ALA 832 Cb 1.40 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3ihy h ALA 832 CO -0.28 -0.36 0.19 1.25 0.00 0.00 0.00 179.25 180.05 3ihy h LEU 833 N 0.00 0.25 -5.62 0.00 5.85 -1.34 -3.39 115.31 111.08 3ihy h LEU 833 Ca 0.12 0.03 -0.42 0.00 0.84 0.00 0.00 57.88 58.45 3ihy h LEU 833 Cb 0.59 -0.01 -0.29 0.00 0.37 0.00 0.00 40.66 41.32 3ihy h LEU 833 CO -0.00 0.19 -0.84 -0.62 -0.34 0.00 0.00 178.44 176.82 3ihy n GLU 834 N -4.95 0.68 -0.31 1.25 1.02 -0.68 -5.04 120.64 112.61 3ihy n GLU 834 Ca 0.03 -2.62 0.02 0.00 -0.02 0.00 0.00 57.16 54.57 3ihy n GLU 834 Cb 0.13 -1.36 0.10 0.00 -0.02 0.00 0.00 31.44 30.28 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 4.20 -0.01 -0.25 3.49 0.11 -1.50 -2.14 132.00 135.90 3ihy h PRO 835 Ca 0.01 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3ihy h PRO 835 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3ihy h PRO 835 CO 0.38 -0.01 0.00 -0.44 -0.21 0.00 0.00 178.00 177.72 3ihy h ASP 836 N -0.01 0.34 0.12 -2.05 5.19 -1.89 -2.69 116.42 115.43 3ihy h ASP 836 Ca 0.39 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3ihy h ASP 836 Cb 0.62 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3ihy h ASP 836 CO -0.89 0.39 -0.15 0.29 -3.12 0.00 0.00 179.24 175.76 3ihy n LYS 837 N -4.34 1.22 -0.05 3.56 5.02 -0.83 -4.50 118.16 118.24 3ihy n LYS 837 Ca 0.01 -0.74 -0.14 0.00 -2.02 0.00 0.00 58.31 55.42 3ihy n LYS 837 Cb 0.20 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.80 1.36 -0.32 -0.18 2.02 -1.18 -1.88 112.91 114.53 3ihy h THR 838 Ca 0.00 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.67 3ihy h THR 838 Cb 0.52 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3ihy h THR 838 CO 0.00 0.43 0.01 0.58 0.37 0.00 0.00 175.52 176.91 3ihy h VAL 839 N 0.01 1.19 -0.06 3.16 2.07 -1.79 -2.86 116.25 117.97 3ihy h VAL 839 Ca 0.01 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.68 3ihy h VAL 839 Cb 0.80 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3ihy h VAL 839 CO 0.05 0.25 -0.53 0.50 0.02 0.00 0.00 177.57 177.86 3ihy h LYS 840 N 0.48 0.17 -0.40 1.57 1.63 -1.75 -2.40 116.57 115.86 3ihy h LYS 840 Ca 0.11 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3ihy h LYS 840 Cb 0.30 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 3ihy h LYS 840 CO 0.01 0.66 0.20 0.87 -3.45 0.00 0.00 179.45 177.74 3ihy h LYS 841 N 0.13 0.58 0.31 1.90 6.56 -1.11 -1.63 116.57 123.32 3ihy h LYS 841 Ca 0.00 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 3ihy h LYS 841 Cb 0.98 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 3ihy h LYS 841 CO 0.08 0.50 -0.15 0.28 -2.06 0.00 0.00 179.45 178.10 3ihy h VAL 842 N 0.51 0.70 -0.87 0.50 2.07 -1.58 -3.27 116.25 114.31 3ihy h VAL 842 Ca 0.14 -0.51 0.20 0.00 0.82 0.00 0.00 66.70 67.35 3ihy h VAL 842 Cb 0.11 0.96 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 3ihy h VAL 842 CO -0.02 0.10 0.40 -0.61 0.02 0.00 0.00 177.57 177.46 3ihy h GLN 843 N -0.71 0.45 -0.49 1.57 4.15 -1.33 -2.26 115.11 116.50 3ihy h GLN 843 Ca -0.04 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 3ihy h GLN 843 Cb 0.49 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3ihy h GLN 843 CO 0.07 0.30 -0.14 -0.44 -1.93 0.00 0.00 178.83 176.68 3ihy h ASP 844 N 0.46 0.94 0.39 -0.69 5.19 -1.38 -2.95 116.42 118.38 3ihy h ASP 844 Ca 0.52 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 3ihy h ASP 844 Cb 0.92 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 3ihy h ASP 844 CO -0.48 1.08 -0.14 0.11 -3.12 0.00 0.00 179.24 176.69 3ihy h LYS 845 N 0.83 0.00 0.00 3.56 1.79 -1.46 -0.51 116.57 120.78 3ihy h LYS 845 Ca 0.12 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 3ihy h LYS 845 Cb 0.69 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.33 3ihy h LYS 845 CO 0.05 0.14 -0.16 0.74 -1.08 0.00 0.00 179.45 179.14 3ihy h PHE 846 N 0.00 0.00 -6.30 -1.35 0.04 -1.48 -3.48 116.94 104.38 3ihy h PHE 846 Ca -0.00 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.31 3ihy h PHE 846 Cb 0.37 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.55 3ihy h PHE 846 CO 0.00 0.16 -0.89 0.54 -0.60 0.00 0.00 178.31 177.52 3ihy n ARG 847 N -3.63 -2.85 0.09 1.51 5.12 -0.20 -4.83 116.66 111.87 3ihy n ARG 847 Ca -0.01 0.47 0.10 0.00 -1.93 0.00 0.00 57.85 56.48 3ihy n ARG 847 Cb 0.29 -4.53 0.44 0.00 -1.16 0.00 0.00 32.46 27.50 3ihy n ARG 847 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3ihy n LEU 848 N -4.28 0.47 0.19 0.55 4.77 -1.26 -1.95 117.00 115.48 3ihy n LEU 848 Ca -0.23 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 3ihy n LEU 848 Cb 0.65 -0.57 0.47 0.00 -2.33 0.00 0.00 43.42 41.64 3ihy n LEU 848 CO 0.71 -0.50 0.89 -2.24 -1.33 0.00 0.00 177.39 174.92 3ihy h ASP 849 N 0.00 0.00 -3.52 -1.43 2.03 -1.94 -3.45 116.42 108.11 3ihy h ASP 849 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 3ihy h ASP 849 Cb 0.31 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.85 3ihy h ASP 849 CO 0.00 0.00 0.10 0.18 -1.03 0.00 0.00 179.24 178.49 3ihy n LEU 850 N -2.67 0.00 -0.00 0.15 4.77 -0.82 -5.07 117.00 113.35 3ihy n LEU 850 Ca 0.03 -0.72 0.01 0.00 -0.03 0.00 0.00 56.01 55.30 3ihy n LEU 850 Cb 0.36 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3ihy n LEU 850 CO 0.27 -0.77 -0.30 -1.54 -1.33 0.00 0.00 177.39 173.72 3ihy n SER 851 N -3.13 2.74 0.00 -1.43 3.41 -1.26 -4.87 113.62 109.08 3ihy n SER 851 Ca 0.07 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3ihy n SER 851 Cb 0.23 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 3ihy n SER 851 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3ihy n ASP 852 N -1.34 0.00 -0.02 4.04 -0.08 -1.26 -4.73 116.55 113.16 3ihy n ASP 852 Ca -0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 3ihy n ASP 852 Cb 0.03 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.36 3ihy n ASP 852 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3ihy n GLU 853 N -1.17 0.64 -0.01 -0.67 4.07 -1.26 -4.10 120.64 118.14 3ihy n GLU 853 Ca 0.00 0.24 0.03 0.00 -0.06 0.00 0.00 57.16 57.36 3ihy n GLU 853 Cb 0.00 -1.76 -0.06 0.00 -0.06 0.00 0.00 31.44 29.56 3ihy n GLU 853 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3ihy n GLU 854 N -2.96 0.70 -0.14 5.31 1.02 -1.26 -4.09 120.64 119.21 3ihy n GLU 854 Ca -0.17 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.81 3ihy n GLU 854 Cb 1.01 -1.18 -0.01 0.00 -0.02 0.00 0.00 31.44 31.23 3ihy n GLU 854 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ihy h ALA 855 N 0.64 0.56 -0.62 0.62 0.00 -1.90 -0.76 119.26 117.80 3ihy h ALA 855 Ca -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ihy h ALA 855 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3ihy h ALA 855 CO 0.00 0.29 0.39 0.28 0.00 0.00 0.00 179.25 180.20 3ihy h VAL 856 N 0.55 1.17 0.03 0.00 2.07 -1.77 -1.00 116.25 117.30 3ihy h VAL 856 Ca 0.12 -0.35 -0.22 0.00 0.82 0.00 0.00 66.70 67.07 3ihy h VAL 856 Cb 0.40 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ihy h VAL 856 CO 0.01 0.17 -0.98 -0.74 0.02 0.00 0.00 177.57 176.05 3ihy h HIS 857 N 0.85 0.29 -0.43 1.57 6.17 -1.69 -3.04 115.15 118.87 3ihy h HIS 857 Ca 0.22 -0.18 -0.15 0.00 0.71 0.00 0.00 60.37 60.98 3ihy h HIS 857 Cb -0.06 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 29.84 3ihy h HIS 857 CO 0.00 1.05 -0.32 -0.92 0.71 0.00 0.00 177.93 178.46 3ihy h TYR 858 N 0.08 1.14 -0.18 5.26 3.20 -0.71 -2.59 116.97 123.18 3ihy h TYR 858 Ca -0.06 -0.32 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 3ihy h TYR 858 Cb 1.66 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 3ihy h TYR 858 CO 0.03 1.15 0.10 1.98 -1.64 0.00 0.00 178.16 179.78 3ihy h MET 859 N 0.81 0.25 -0.69 1.82 4.05 -1.27 -2.34 114.93 117.55 3ihy h MET 859 Ca 0.08 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3ihy h MET 859 Cb 0.91 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.62 3ihy h MET 859 CO 0.08 0.25 0.43 1.96 0.23 0.00 0.00 176.91 179.87 3ihy h GLN 860 N 0.18 0.93 -0.63 0.39 4.20 -1.54 -1.91 115.11 116.72 3ihy h GLN 860 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3ihy h GLN 860 Cb 0.08 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3ihy h GLN 860 CO -0.01 0.64 0.35 0.77 -0.67 0.00 0.00 178.83 179.90 3ihy h SER 861 N 0.95 0.77 -0.46 1.46 0.02 -1.22 -2.76 113.55 112.32 3ihy h SER 861 Ca 0.25 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3ihy h SER 861 Cb -0.07 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 3ihy h SER 861 CO -0.05 0.62 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.03 3ihy h LEU 862 N 0.88 0.94 0.24 5.07 3.38 -0.81 -1.92 115.31 123.08 3ihy h LEU 862 Ca 0.22 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ihy h LEU 862 Cb 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ihy h LEU 862 CO -0.04 1.11 -0.12 0.40 0.09 0.00 0.00 178.44 179.88 3ihy h ILE 863 N 0.76 0.81 -0.20 1.22 2.04 -1.29 -1.88 117.51 118.97 3ihy h ILE 863 Ca 0.11 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3ihy h ILE 863 Cb 0.72 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 3ihy h ILE 863 CO 0.06 0.07 -0.49 0.44 0.00 0.00 0.00 178.15 178.22 3ihy h ASP 864 N -0.48 -1.58 -0.96 1.72 3.32 -1.56 0.31 116.42 117.20 3ihy h ASP 864 Ca -0.03 0.20 0.29 0.00 0.02 0.00 0.00 57.03 57.51 3ihy h ASP 864 Cb 0.36 0.64 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 3ihy h ASP 864 CO 0.05 -0.44 0.44 -0.33 -1.72 0.00 0.00 179.24 177.24 3ihy h GLU 865 N -0.50 0.28 0.03 3.56 5.08 -1.28 -0.25 114.58 121.51 3ihy h GLU 865 Ca 0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ihy h GLU 865 Cb 0.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3ihy h GLU 865 CO -0.46 0.19 -0.02 0.77 -1.00 0.00 0.00 179.01 178.49 3ihy h SER 866 N 0.29 -0.04 0.72 1.42 0.02 -0.65 -2.96 113.55 112.35 3ihy h SER 866 Ca 0.66 -0.64 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3ihy h SER 866 Cb 1.44 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.99 3ihy h SER 866 CO -0.62 0.66 -0.39 0.58 -1.14 0.00 0.00 176.83 175.92 3ihy h VAL 867 N -0.77 0.00 -1.12 2.27 2.07 0.00 -2.23 116.25 116.47 3ihy h VAL 867 Ca -0.00 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.84 3ihy h VAL 867 Cb 0.68 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 3ihy h VAL 867 CO 0.01 0.00 0.71 -0.74 0.02 0.00 0.00 177.57 177.56 3ihy h HIS 868 N -1.02 0.67 0.16 1.57 6.17 -1.24 0.23 115.15 121.68 3ihy h HIS 868 Ca -0.10 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.01 3ihy h HIS 868 Cb 0.80 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.54 3ihy h HIS 868 CO -0.01 -0.05 -0.11 0.00 0.71 0.00 0.00 177.93 178.47 3ihy h ALA 869 N 1.65 -0.26 -0.43 5.26 0.00 -1.29 -3.22 119.26 120.96 3ihy h ALA 869 Ca 0.68 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.42 3ihy h ALA 869 Cb 1.84 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 3ihy h ALA 869 CO -0.38 -0.65 -0.24 -0.07 0.00 0.00 0.00 179.25 177.90 3ihy h LEU 870 N -0.27 0.96 0.00 0.00 3.38 -0.42 -3.51 115.31 115.44 3ihy h LEU 870 Ca -0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3ihy h LEU 870 Cb 0.24 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ihy h LEU 870 CO 0.00 1.17 0.00 0.49 0.09 0.00 0.00 178.44 180.19