#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s ILE 303 N 0.00 2.51 0.02 12.58 -1.09 -0.36 -2.80 121.20 132.05 3hf9 s ILE 303 Ca 0.00 -1.50 0.01 0.00 -2.23 0.00 0.00 60.65 56.93 3hf9 s ILE 303 Cb 0.00 -2.08 -0.01 0.00 -1.58 0.00 0.00 42.46 38.78 3hf9 s ILE 303 CO 0.00 0.20 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.18 3hf9 s VAL 304 N -1.00 0.24 -0.15 2.92 1.01 -0.03 -1.64 120.40 121.75 3hf9 s VAL 304 Ca 0.15 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3hf9 s VAL 304 Cb -0.10 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.01 3hf9 s VAL 304 CO 0.06 -0.25 0.41 0.00 0.00 0.00 0.00 175.10 175.32 3hf9 s ALA 305 N -0.88 -1.01 -0.02 5.51 0.00 -0.61 -0.57 121.76 124.18 3hf9 s ALA 305 Ca -0.08 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 3hf9 s ALA 305 Cb -0.06 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.42 3hf9 s ALA 305 CO -0.00 -0.19 0.33 -0.48 0.00 0.00 0.00 175.76 175.42 3hf9 s LEU 306 N 0.21 0.75 0.00 0.00 0.05 -0.42 -1.36 118.68 117.92 3hf9 s LEU 306 Ca -0.00 0.17 -0.21 0.00 0.05 0.00 0.00 54.13 54.14 3hf9 s LEU 306 Cb -0.03 1.33 -0.05 0.00 -2.05 0.00 0.00 46.19 45.39 3hf9 s LEU 306 CO 0.01 -0.43 0.62 -0.54 -0.55 0.00 0.00 176.35 175.45 3hf9 s LYS 307 N -1.21 4.34 0.42 1.48 1.02 0.45 -1.10 119.74 125.14 3hf9 s LYS 307 Ca -0.12 0.79 0.05 0.00 0.02 0.00 0.00 55.97 56.70 3hf9 s LYS 307 Cb -0.05 -3.34 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 3hf9 s LYS 307 CO 0.04 0.36 0.02 1.52 -0.92 0.00 0.00 175.35 176.37 3hf9 s TYR 308 N -0.18 2.25 -0.29 3.18 -0.85 -0.63 -4.93 117.35 115.90 3hf9 s TYR 308 Ca 0.32 -0.81 -0.29 0.00 -0.52 0.00 0.00 57.07 55.77 3hf9 s TYR 308 Cb -0.19 -1.62 -0.02 0.00 0.38 0.00 0.00 41.96 40.51 3hf9 s TYR 308 CO 0.18 0.29 1.73 -2.14 -1.52 0.00 0.00 175.55 174.09 3hf9 s PRO 309 N -3.78 3.50 0.00 -3.49 0.02 -1.26 -1.98 135.00 128.01 3hf9 s PRO 309 Ca 0.29 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.81 3hf9 s PRO 309 Cb 0.08 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.46 3hf9 s PRO 309 CO 0.14 -1.65 0.00 0.41 -0.33 0.00 0.00 177.00 175.57 3hf9 n GLY 310 N 5.17 0.66 0.00 0.52 0.00 0.53 -4.71 105.19 107.36 3hf9 n GLY 310 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3hf9 n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 311 N -1.19 0.81 3.15 -0.02 0.00 -0.84 -4.16 105.19 102.94 3hf9 n GLY 311 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 3hf9 n GLY 311 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 312 N -2.18 0.75 0.07 1.61 -7.23 -0.69 -1.60 120.40 111.12 3hf9 s VAL 312 Ca 0.00 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.59 3hf9 s VAL 312 Cb 0.00 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 3hf9 s VAL 312 CO 0.00 -0.66 -0.21 0.54 -0.31 0.00 0.00 175.10 174.46 3hf9 s VAL 313 N -2.75 1.73 -0.00 1.32 0.11 -0.26 -0.38 120.40 120.17 3hf9 s VAL 313 Ca 0.05 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 57.73 3hf9 s VAL 313 Cb -0.01 -1.53 0.00 0.00 -1.53 0.00 0.00 36.38 33.31 3hf9 s VAL 313 CO -0.02 0.09 -0.02 -0.32 -3.33 0.00 0.00 175.10 171.50 3hf9 s MET 314 N -1.53 0.19 0.00 1.54 1.75 -0.42 -1.30 119.30 119.54 3hf9 s MET 314 Ca 0.07 -0.07 -0.07 0.00 -1.25 0.00 0.00 55.69 54.38 3hf9 s MET 314 Cb -0.09 -0.19 -0.00 0.00 2.84 0.00 0.00 34.83 37.38 3hf9 s MET 314 CO 0.03 0.04 0.12 0.00 -0.65 0.00 0.00 175.02 174.56 3hf9 s ALA 315 N 0.01 -0.29 -0.12 4.11 0.00 0.27 -0.80 121.76 124.94 3hf9 s ALA 315 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 3hf9 s ALA 315 Cb -0.02 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3hf9 s ALA 315 CO -0.00 -0.20 0.31 0.20 0.00 0.00 0.00 175.76 176.07 3hf9 s GLY 316 N -1.35 -0.23 1.32 0.00 0.00 -0.20 -0.85 107.32 106.00 3hf9 s GLY 316 Ca -0.14 0.88 -0.21 0.00 0.00 0.00 0.00 44.72 45.25 3hf9 s GLY 316 CO 0.01 0.76 1.01 0.51 0.00 0.00 0.00 173.10 175.39 3hf9 s ASP 317 N 0.16 -0.16 0.00 1.64 3.84 -1.12 -1.73 116.67 119.30 3hf9 s ASP 317 Ca -0.00 0.82 0.01 0.00 -0.00 0.00 0.00 52.55 53.38 3hf9 s ASP 317 Cb -0.02 -1.18 0.01 0.00 -1.38 0.00 0.00 42.92 40.35 3hf9 s ASP 317 CO 0.00 -4.81 0.60 0.54 -0.00 0.00 0.00 175.17 171.50 3hf9 n ARG 318 N -5.25 -0.34 -2.02 2.11 5.12 -1.26 -4.54 116.66 110.48 3hf9 n ARG 318 Ca 0.12 -0.69 -0.30 0.00 -1.93 0.00 0.00 57.85 55.05 3hf9 n ARG 318 Cb 0.59 -1.02 0.01 0.00 -1.16 0.00 0.00 32.46 30.88 3hf9 n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hf9 s ARG 319 N -0.20 3.60 -0.18 5.56 6.06 -1.26 -1.87 118.95 130.66 3hf9 s ARG 319 Ca 0.01 0.66 -0.15 0.00 -2.50 0.00 0.00 55.73 53.74 3hf9 s ARG 319 Cb 0.01 -2.13 0.05 0.00 0.06 0.00 0.00 34.95 32.93 3hf9 s ARG 319 CO 0.01 -0.50 0.47 -1.54 -2.50 0.00 0.00 175.30 171.24 3hf9 s SER 320 N -4.15 -0.50 0.20 -2.12 1.04 -0.80 -4.85 113.70 102.53 3hf9 s SER 320 Ca 0.54 0.95 0.11 0.00 0.48 0.00 0.00 55.95 58.03 3hf9 s SER 320 Cb -0.11 0.94 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 3hf9 s SER 320 CO 0.52 -0.17 -0.23 0.42 0.98 0.00 0.00 173.24 174.77 3hf9 s THR 321 N 0.40 2.29 -0.60 2.02 -4.23 -1.26 -0.40 115.64 113.86 3hf9 s THR 321 Ca -0.01 -2.06 0.04 0.00 -1.18 0.00 0.00 61.69 58.48 3hf9 s THR 321 Cb -0.04 -2.11 0.15 0.00 1.34 0.00 0.00 72.50 71.85 3hf9 s THR 321 CO -0.01 -0.18 0.39 -1.58 -0.54 0.00 0.00 174.62 172.70 3hf9 s GLN 322 N -2.79 2.10 6.97 3.99 0.74 -0.65 -4.83 119.66 125.19 3hf9 s GLN 322 Ca 0.21 -2.92 0.00 0.00 0.05 0.00 0.00 55.36 52.70 3hf9 s GLN 322 Cb -0.07 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.88 3hf9 s GLN 322 CO 0.10 -1.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.02 3hf9 n GLY 323 N 2.53 2.03 0.11 2.59 0.00 -1.26 -3.35 105.19 107.83 3hf9 n GLY 323 Ca 0.15 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 3hf9 n GLY 323 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hf9 h ASN 324 N 0.00 0.23 -3.92 1.61 2.35 -2.02 -3.48 115.58 110.35 3hf9 h ASN 324 Ca 0.00 -0.44 -0.54 0.00 -0.55 0.00 0.00 56.30 54.77 3hf9 h ASN 324 Cb 0.00 -0.07 0.11 0.00 0.05 0.00 0.00 38.32 38.40 3hf9 h ASN 324 CO 0.00 1.38 0.79 0.23 -1.65 0.00 0.00 177.43 178.18 3hf9 n MET 325 N -3.30 2.70 -3.00 0.81 2.81 -1.21 -4.96 117.12 110.97 3hf9 n MET 325 Ca -0.21 0.95 -0.41 0.00 -1.81 0.00 0.00 57.70 56.21 3hf9 n MET 325 Cb 1.04 -2.68 -0.05 0.00 -0.71 0.00 0.00 33.22 30.82 3hf9 n MET 325 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hf9 s ILE 326 N -1.09 4.87 -1.40 2.02 1.01 -1.26 -1.64 121.20 123.71 3hf9 s ILE 326 Ca 0.53 1.20 0.17 0.00 0.00 0.00 0.00 60.65 62.55 3hf9 s ILE 326 Cb -0.47 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 3hf9 s ILE 326 CO 0.64 -0.13 0.85 -1.54 0.00 0.00 0.00 174.94 174.75 3hf9 n SER 327 N 6.00 1.50 -3.60 3.58 3.41 0.47 -4.93 113.62 120.05 3hf9 n SER 327 Ca 0.02 -1.25 -0.14 0.00 -0.26 0.00 0.00 58.87 57.24 3hf9 n SER 327 Cb 0.48 0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.95 3hf9 n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hf9 s GLY 328 N -2.10 -0.47 0.00 5.00 0.00 -0.85 -4.93 107.32 103.98 3hf9 s GLY 328 Ca 0.12 1.95 0.00 0.00 0.00 0.00 0.00 44.72 46.79 3hf9 s GLY 328 CO 0.48 1.50 0.27 0.54 0.00 0.00 0.00 173.10 175.89 3hf9 n ARG 329 N 1.99 2.06 0.00 2.90 1.74 -1.26 -1.89 116.66 122.20 3hf9 n ARG 329 Ca -0.15 -0.27 0.03 0.00 -0.77 0.00 0.00 57.85 56.69 3hf9 n ARG 329 Cb 0.56 -0.75 -0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3hf9 n ARG 329 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hf9 n ASP 330 N -0.37 0.91 -4.67 0.55 5.68 -1.16 -4.59 116.55 112.90 3hf9 n ASP 330 Ca 0.00 -0.95 -0.45 0.00 -0.50 0.00 0.00 54.79 52.89 3hf9 n ASP 330 Cb 0.01 0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 3hf9 n ASP 330 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3hf9 n VAL 331 N -0.35 0.67 -2.92 2.12 0.31 -0.78 -4.98 118.33 112.40 3hf9 n VAL 331 Ca 0.02 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 3hf9 n VAL 331 Cb 0.11 -2.12 -0.04 0.00 -0.91 0.00 0.00 33.84 30.88 3hf9 n VAL 331 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hf9 s ARG 332 N 4.38 4.17 -0.01 5.55 0.52 -1.26 -4.23 118.95 128.07 3hf9 s ARG 332 Ca 0.91 0.90 0.11 0.00 -0.52 0.00 0.00 55.73 57.13 3hf9 s ARG 332 Cb -0.56 -3.65 -0.14 0.00 0.52 0.00 0.00 34.95 31.12 3hf9 s ARG 332 CO 0.47 -0.51 0.32 1.63 0.02 0.00 0.00 175.30 177.23 3hf9 n LYS 333 N 5.97 1.68 -4.20 3.54 5.02 -1.26 -4.71 118.16 124.20 3hf9 n LYS 333 Ca 0.05 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 3hf9 n LYS 333 Cb 0.48 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 34.21 3hf9 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hf9 s VAL 334 N -2.43 3.62 0.05 -0.18 1.01 -1.26 -2.63 120.40 118.58 3hf9 s VAL 334 Ca -0.01 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.59 3hf9 s VAL 334 Cb 0.07 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3hf9 s VAL 334 CO 0.44 0.45 -0.13 -0.31 0.00 0.00 0.00 175.10 175.55 3hf9 s TYR 335 N 0.92 1.13 0.03 5.22 1.51 -0.64 -4.98 117.35 120.55 3hf9 s TYR 335 Ca -0.00 -0.40 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 3hf9 s TYR 335 Cb -0.15 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 3hf9 s TYR 335 CO 0.01 0.03 0.83 0.42 -1.11 0.00 0.00 175.55 175.73 3hf9 s ILE 336 N -1.04 4.76 -0.04 2.71 1.01 -1.26 -1.27 121.20 126.06 3hf9 s ILE 336 Ca -0.01 1.75 0.14 0.00 0.00 0.00 0.00 60.65 62.53 3hf9 s ILE 336 Cb -0.09 -4.18 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 3hf9 s ILE 336 CO 0.01 0.30 0.30 0.35 0.00 0.00 0.00 174.94 175.91 3hf9 n THR 337 N 3.13 0.00 -3.68 2.92 -2.24 -0.58 -4.94 114.28 108.90 3hf9 n THR 337 Ca 0.00 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 3hf9 n THR 337 Cb 0.50 0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3hf9 n THR 337 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 338 N -1.95 -0.84 0.20 3.42 5.75 -1.21 -4.37 116.55 117.55 3hf9 n ASP 338 Ca -0.02 -1.43 0.18 0.00 -0.01 0.00 0.00 54.79 53.51 3hf9 n ASP 338 Cb 0.35 1.37 0.83 0.00 -1.03 0.00 0.00 41.12 42.63 3hf9 n ASP 338 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hf9 h ASP 339 N 0.98 0.00 0.00 -1.12 3.32 -1.96 -3.04 116.42 114.60 3hf9 h ASP 339 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hf9 h ASP 339 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3hf9 h ASP 339 CO 0.18 0.00 -0.30 -1.22 -1.72 0.00 0.00 179.24 176.18 3hf9 n TYR 340 N -3.71 0.00 -3.93 4.55 4.02 -1.26 -0.87 117.16 115.96 3hf9 n TYR 340 Ca 0.02 -0.40 -0.09 0.00 -0.01 0.00 0.00 57.90 57.42 3hf9 n TYR 340 Cb 0.37 -0.09 -0.09 0.00 -0.02 0.00 0.00 39.34 39.51 3hf9 n TYR 340 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hf9 s THR 341 N -1.15 0.14 -0.05 -0.72 -4.23 -1.15 -0.32 115.64 108.16 3hf9 s THR 341 Ca 0.13 -1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 59.38 3hf9 s THR 341 Cb 0.11 -1.02 0.02 0.00 1.34 0.00 0.00 72.50 72.95 3hf9 s THR 341 CO 0.01 -0.64 0.23 0.00 -0.54 0.00 0.00 174.62 173.68 3hf9 s ALA 342 N -2.92 -0.58 -0.03 3.99 0.00 0.42 -1.52 121.76 121.12 3hf9 s ALA 342 Ca -0.02 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3hf9 s ALA 342 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3hf9 s ALA 342 CO -0.06 -0.17 -0.16 0.95 0.00 0.00 0.00 175.76 176.32 3hf9 s THR 343 N -0.54 2.88 -0.02 0.00 -4.23 -0.40 -1.06 115.64 112.26 3hf9 s THR 343 Ca -0.06 -0.84 0.07 0.00 -1.18 0.00 0.00 61.69 59.68 3hf9 s THR 343 Cb -0.04 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 3hf9 s THR 343 CO 0.01 0.56 -0.25 -0.83 -0.54 0.00 0.00 174.62 173.57 3hf9 s GLY 344 N -0.80 1.22 -0.06 3.99 0.00 -0.32 -1.61 107.32 109.73 3hf9 s GLY 344 Ca 0.12 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3hf9 s GLY 344 CO 0.01 -0.86 -0.15 -0.42 0.00 0.00 0.00 173.10 171.68 3hf9 s ILE 345 N -0.53 1.32 -1.39 0.90 1.09 -1.08 -0.87 121.20 120.64 3hf9 s ILE 345 Ca 0.08 -0.60 -0.10 0.00 -1.10 0.00 0.00 60.65 58.92 3hf9 s ILE 345 Cb -0.10 -1.18 0.09 0.00 -1.06 0.00 0.00 42.46 40.21 3hf9 s ILE 345 CO -0.00 0.39 2.21 0.00 -0.10 0.00 0.00 174.94 177.44 3hf9 n ALA 346 N 3.62 5.94 -3.00 9.38 0.00 -1.26 -4.80 120.51 130.39 3hf9 n ALA 346 Ca -0.21 -4.04 0.00 0.00 0.00 0.00 0.00 53.44 49.19 3hf9 n ALA 346 Cb 0.52 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.80 3hf9 n ALA 346 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 347 N 3.14 4.79 3.74 0.00 0.00 -1.26 -4.91 105.19 110.69 3hf9 n GLY 347 Ca 0.52 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 3hf9 n GLY 347 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 348 N -0.79 2.91 0.25 2.61 -4.23 -1.26 -4.82 115.64 110.31 3hf9 s THR 348 Ca 0.00 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 3hf9 s THR 348 Cb 0.00 -2.63 0.22 0.00 1.34 0.00 0.00 72.50 71.43 3hf9 s THR 348 CO 0.00 -0.39 1.79 0.00 -0.54 0.00 0.00 174.62 175.48 3hf9 h ALA 349 N -1.38 1.20 -0.21 3.99 0.00 -1.96 -2.58 119.26 118.32 3hf9 h ALA 349 Ca -0.43 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3hf9 h ALA 349 Cb 1.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hf9 h ALA 349 CO 0.48 0.02 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 3hf9 h ALA 350 N 1.49 0.29 -0.61 0.00 0.00 -1.93 -2.87 119.26 115.64 3hf9 h ALA 350 Ca 0.42 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3hf9 h ALA 350 Cb 0.46 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3hf9 h ALA 350 CO -0.29 0.15 0.33 0.28 0.00 0.00 0.00 179.25 179.72 3hf9 h VAL 351 N 0.14 0.97 -0.39 0.00 2.07 -1.88 0.18 116.25 117.35 3hf9 h VAL 351 Ca 0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3hf9 h VAL 351 Cb 0.62 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3hf9 h VAL 351 CO 0.03 0.11 0.22 0.00 0.02 0.00 0.00 177.57 177.96 3hf9 h ALA 352 N 1.32 0.49 0.36 1.67 0.00 -1.40 -2.10 119.26 119.61 3hf9 h ALA 352 Ca 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 352 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hf9 h ALA 352 CO -0.17 0.01 -0.17 0.28 0.00 0.00 0.00 179.25 179.20 3hf9 h VAL 353 N 0.50 0.37 -0.88 0.00 2.07 -1.34 -2.74 116.25 114.24 3hf9 h VAL 353 Ca 0.14 -0.70 0.22 0.00 0.82 0.00 0.00 66.70 67.18 3hf9 h VAL 353 Cb 0.04 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3hf9 h VAL 353 CO -0.02 0.08 0.61 -0.33 0.02 0.00 0.00 177.57 177.93 3hf9 h GLU 354 N -1.00 0.22 0.01 1.57 4.39 -0.67 0.43 114.58 119.53 3hf9 h GLU 354 Ca -0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3hf9 h GLU 354 Cb 0.51 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hf9 h GLU 354 CO 0.08 0.15 -0.01 0.35 -1.16 0.00 0.00 179.01 178.42 3hf9 h PHE 355 N 0.23 -0.02 -0.52 4.33 3.04 -1.44 -2.61 116.94 119.95 3hf9 h PHE 355 Ca 0.45 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.45 3hf9 h PHE 355 Cb 1.38 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.84 3hf9 h PHE 355 CO -0.00 0.76 0.25 0.00 -2.02 0.00 0.00 178.31 177.29 3hf9 h ALA 356 N 0.08 0.67 -0.26 2.41 0.00 -1.05 -0.86 119.26 120.25 3hf9 h ALA 356 Ca -0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hf9 h ALA 356 Cb 0.78 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3hf9 h ALA 356 CO 0.00 -0.12 -0.15 -0.09 0.00 0.00 0.00 179.25 178.90 3hf9 h ARG 357 N 0.47 -0.12 -0.26 0.00 2.43 -0.23 0.59 114.38 117.26 3hf9 h ARG 357 Ca 0.24 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 3hf9 h ARG 357 Cb 0.18 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3hf9 h ARG 357 CO -0.19 -0.08 0.08 1.25 -1.51 0.00 0.00 179.97 179.52 3hf9 h LEU 358 N -0.13 0.07 -0.67 3.80 5.85 -1.19 -1.66 115.31 121.39 3hf9 h LEU 358 Ca 0.14 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hf9 h LEU 358 Cb 0.34 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3hf9 h LEU 358 CO -0.33 0.07 0.41 0.22 -0.34 0.00 0.00 178.44 178.46 3hf9 h TYR 359 N 0.19 0.87 -0.59 1.25 3.20 -0.39 -1.47 116.97 120.04 3hf9 h TYR 359 Ca 0.12 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3hf9 h TYR 359 Cb 0.10 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3hf9 h TYR 359 CO -0.14 0.59 0.11 0.00 -1.64 0.00 0.00 178.16 177.07 3hf9 h ALA 360 N 1.21 0.78 -0.42 1.82 0.00 -0.64 -0.98 119.26 121.03 3hf9 h ALA 360 Ca 0.24 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 360 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hf9 h ALA 360 CO -0.05 0.52 0.22 0.28 0.00 0.00 0.00 179.25 180.23 3hf9 h VAL 361 N 0.87 1.00 0.05 0.00 2.07 -0.99 -1.73 116.25 117.52 3hf9 h VAL 361 Ca 0.18 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3hf9 h VAL 361 Cb 0.40 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3hf9 h VAL 361 CO 0.01 0.08 -0.12 -0.33 0.02 0.00 0.00 177.57 177.23 3hf9 h GLU 362 N 0.45 -0.22 -0.30 1.57 5.08 -0.44 0.17 114.58 120.89 3hf9 h GLU 362 Ca 0.17 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3hf9 h GLU 362 Cb 0.06 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3hf9 h GLU 362 CO -0.11 -0.14 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.57 3hf9 h LEU 363 N -0.23 -0.42 -0.29 1.33 3.38 -1.09 -0.85 115.31 117.15 3hf9 h LEU 363 Ca 0.03 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3hf9 h LEU 363 Cb 0.25 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hf9 h LEU 363 CO -0.08 -0.15 -0.20 -0.08 0.09 0.00 0.00 178.44 178.01 3hf9 h GLU 364 N -0.07 0.65 -0.65 1.13 4.81 -1.18 -2.40 114.58 116.88 3hf9 h GLU 364 Ca 0.15 -0.31 0.14 0.00 -0.13 0.00 0.00 59.36 59.20 3hf9 h GLU 364 Cb 0.30 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.56 3hf9 h GLU 364 CO -0.35 0.91 -0.09 1.25 -0.73 0.00 0.00 179.01 180.00 3hf9 h HIS 365 N 0.40 -0.21 -0.62 0.92 2.76 -0.39 0.82 115.15 118.82 3hf9 h HIS 365 Ca 0.06 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3hf9 h HIS 365 Cb 0.75 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.88 3hf9 h HIS 365 CO 0.07 -0.24 0.31 -0.92 -1.30 0.00 0.00 177.93 175.84 3hf9 h TYR 366 N 0.05 0.89 -0.66 5.26 3.20 -0.93 -2.15 116.97 122.63 3hf9 h TYR 366 Ca 0.33 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3hf9 h TYR 366 Cb 0.53 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3hf9 h TYR 366 CO -0.46 0.67 0.38 1.49 -1.64 0.00 0.00 178.16 178.59 3hf9 h GLU 367 N 0.85 0.90 -0.59 1.82 4.81 -0.66 0.18 114.58 121.89 3hf9 h GLU 367 Ca 0.21 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3hf9 h GLU 367 Cb 0.11 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3hf9 h GLU 367 CO -0.03 0.67 0.15 0.87 -0.73 0.00 0.00 179.01 179.94 3hf9 h LYS 368 N 0.89 0.92 -0.27 1.92 1.57 -0.73 0.18 116.57 121.05 3hf9 h LYS 368 Ca 0.23 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3hf9 h LYS 368 Cb 0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3hf9 h LYS 368 CO -0.04 0.82 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.26 3hf9 h LEU 369 N 0.88 0.75 -0.71 2.94 3.38 -0.97 -3.35 115.31 118.23 3hf9 h LEU 369 Ca 0.19 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hf9 h LEU 369 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hf9 h LEU 369 CO -0.00 1.09 -0.34 -0.62 0.09 0.00 0.00 178.44 178.66 3hf9 n GLU 370 N -4.24 1.93 0.00 1.13 -0.58 0.01 -4.98 120.64 113.90 3hf9 n GLU 370 Ca -0.04 -0.63 0.00 0.00 -0.42 0.00 0.00 57.16 56.07 3hf9 n GLU 370 Cb 0.49 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 3hf9 n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hf9 n GLY 371 N 1.10 2.98 3.27 0.62 0.00 0.62 -4.98 105.19 108.80 3hf9 n GLY 371 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 3hf9 n GLY 371 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hf9 s VAL 372 N -1.67 1.20 0.65 1.61 -7.23 -1.24 -4.96 120.40 108.76 3hf9 s VAL 372 Ca 0.00 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 57.97 3hf9 s VAL 372 Cb 0.00 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 3hf9 s VAL 372 CO 0.00 -0.68 1.06 -2.84 -0.31 0.00 0.00 175.10 172.33 3hf9 s PRO 373 N -3.75 3.09 0.70 4.82 0.02 -1.26 -4.00 135.00 134.61 3hf9 s PRO 373 Ca 0.19 1.11 -0.15 0.00 0.02 0.00 0.00 61.00 62.16 3hf9 s PRO 373 Cb 0.03 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.56 3hf9 s PRO 373 CO 0.02 -0.99 1.17 -0.51 -0.33 0.00 0.00 177.00 176.36 3hf9 s LEU 374 N -5.01 3.36 0.96 -5.54 1.43 -1.26 -5.01 118.68 107.60 3hf9 s LEU 374 Ca 0.61 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 3hf9 s LEU 374 Cb -0.15 -4.57 0.16 0.00 0.03 0.00 0.00 46.19 41.66 3hf9 s LEU 374 CO 0.45 -1.98 1.09 0.42 0.23 0.00 0.00 176.35 176.56 3hf9 s THR 375 N -2.11 2.35 0.17 5.49 -4.23 -1.26 -4.71 115.64 111.34 3hf9 s THR 375 Ca 0.71 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 61.20 3hf9 s THR 375 Cb -0.26 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.08 3hf9 s THR 375 CO 0.43 -0.15 1.82 0.15 -0.54 0.00 0.00 174.62 176.33 3hf9 h PHE 376 N -1.77 0.70 -0.75 3.99 3.57 -1.96 -0.63 116.94 120.08 3hf9 h PHE 376 Ca -0.52 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.15 3hf9 h PHE 376 Cb 1.31 -0.23 -0.11 0.00 2.79 0.00 0.00 35.95 39.70 3hf9 h PHE 376 CO 0.36 0.46 0.20 0.00 -2.23 0.00 0.00 178.31 177.10 3hf9 h ALA 377 N 1.18 1.00 -0.38 2.41 0.00 -1.99 -0.91 119.26 120.56 3hf9 h ALA 377 Ca 0.20 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.29 3hf9 h ALA 377 Cb -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hf9 h ALA 377 CO -0.04 -0.34 0.22 0.78 0.00 0.00 0.00 179.25 179.87 3hf9 h GLY 378 N 0.28 0.52 0.43 0.00 0.00 -1.54 -0.15 103.07 102.62 3hf9 h GLY 378 Ca 0.43 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.68 3hf9 h GLY 378 CO -0.51 0.14 0.15 0.50 0.00 0.00 0.00 176.54 176.82 3hf9 h LYS 379 N 0.44 0.30 -0.75 4.80 1.57 -0.05 -0.71 116.57 122.17 3hf9 h LYS 379 Ca 0.15 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3hf9 h LYS 379 Cb 0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3hf9 h LYS 379 CO -0.07 0.20 0.38 0.82 -0.57 0.00 0.00 179.45 180.21 3hf9 h ILE 380 N 0.31 1.24 0.83 1.86 2.04 -0.82 -2.17 117.51 120.79 3hf9 h ILE 380 Ca 0.25 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 3hf9 h ILE 380 Cb 0.31 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3hf9 h ILE 380 CO -0.29 0.27 -0.46 -1.13 0.00 0.00 0.00 178.15 176.54 3hf9 h ASN 381 N 1.05 -1.13 -1.00 1.72 -1.24 0.02 0.13 115.58 115.14 3hf9 h ASN 381 Ca 0.26 0.05 0.20 0.00 0.71 0.00 0.00 56.30 57.52 3hf9 h ASN 381 Cb 0.09 0.31 -0.10 0.00 0.73 0.00 0.00 38.32 39.35 3hf9 h ASN 381 CO -0.04 -0.73 0.61 0.03 -1.29 0.00 0.00 177.43 176.01 3hf9 h ARG 382 N -1.19 0.69 0.13 6.67 2.47 -1.17 0.20 114.38 122.17 3hf9 h ARG 382 Ca -0.11 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 3hf9 h ARG 382 Cb 0.94 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3hf9 h ARG 382 CO 0.15 0.45 -0.06 1.25 0.56 0.00 0.00 179.97 182.32 3hf9 h LEU 383 N 0.71 -0.15 -0.56 3.04 6.46 -0.94 -0.67 115.31 123.20 3hf9 h LEU 383 Ca 0.57 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.25 3hf9 h LEU 383 Cb 0.97 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 3hf9 h LEU 383 CO -0.36 -0.07 0.17 0.00 -0.62 0.00 0.00 178.44 177.56 3hf9 h ALA 384 N 0.65 0.74 -0.38 1.25 0.00 0.60 0.32 119.26 122.43 3hf9 h ALA 384 Ca -0.02 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hf9 h ALA 384 Cb 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3hf9 h ALA 384 CO 0.03 0.41 -0.01 0.82 0.00 0.00 0.00 179.25 180.50 3hf9 h ILE 385 N 0.79 0.70 -0.51 0.00 2.04 -0.93 0.12 117.51 119.72 3hf9 h ILE 385 Ca 0.18 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.04 3hf9 h ILE 385 Cb 0.30 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3hf9 h ILE 385 CO -0.00 0.02 0.30 -0.03 0.00 0.00 0.00 178.15 178.43 3hf9 h MET 386 N 0.09 0.57 -0.01 2.37 4.05 -0.12 0.11 114.93 121.99 3hf9 h MET 386 Ca 0.19 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3hf9 h MET 386 Cb 0.27 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3hf9 h MET 386 CO -0.32 0.38 0.00 0.28 0.23 0.00 0.00 176.91 177.48 3hf9 h VAL 387 N 0.59 1.07 0.00 -5.77 2.07 -0.45 -2.04 116.25 111.72 3hf9 h VAL 387 Ca 0.21 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3hf9 h VAL 387 Cb 0.04 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hf9 h VAL 387 CO -0.10 0.05 -0.07 0.03 0.02 0.00 0.00 177.57 177.50 3hf9 h ARG 388 N -0.07 0.00 -0.45 1.57 3.08 -0.64 -2.15 114.38 115.71 3hf9 h ARG 388 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hf9 h ARG 388 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hf9 h ARG 388 CO -0.00 0.07 0.11 0.78 -1.07 0.00 0.00 179.97 179.85 3hf9 h GLY 389 N 0.22 0.72 1.09 0.04 0.00 -0.27 -2.92 103.07 101.95 3hf9 h GLY 389 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hf9 h GLY 389 CO 0.01 0.37 -0.81 3.43 0.00 0.00 0.00 176.54 179.54 3hf9 h ASN 390 N 0.65 0.00 1.25 0.19 2.35 -0.95 -3.31 115.58 115.76 3hf9 h ASN 390 Ca 0.15 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3hf9 h ASN 390 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3hf9 h ASN 390 CO -0.00 0.05 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.36 3hf9 h LEU 391 N 0.00 0.00 0.04 1.61 3.38 -1.29 -3.31 115.31 115.75 3hf9 h LEU 391 Ca 0.00 -0.09 -0.27 0.00 0.09 0.00 0.00 57.88 57.61 3hf9 h LEU 391 Cb 0.89 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3hf9 h LEU 391 CO 0.00 0.04 -1.44 0.00 0.09 0.00 0.00 178.44 177.13 3hf9 h ALA 392 N 2.35 0.47 -0.00 1.53 0.00 -1.61 -3.52 119.26 118.48 3hf9 h ALA 392 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 3hf9 h ALA 392 Cb 0.82 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hf9 h ALA 392 CO 0.00 1.33 -0.90 0.00 0.00 0.00 0.00 179.25 179.68 3hf9 n ALA 393 N -2.54 4.53 -2.75 0.00 0.00 -1.25 -5.16 120.51 113.34 3hf9 n ALA 393 Ca -0.12 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.46 3hf9 n ALA 393 Cb 1.01 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 3hf9 n ALA 393 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hf9 n LEU 399 N -1.39 4.91 -4.41 0.00 4.77 -1.26 -5.07 117.00 114.55 3hf9 n LEU 399 Ca 0.05 -5.50 -0.44 0.00 -0.03 0.00 0.00 56.01 50.08 3hf9 n LEU 399 Cb 0.34 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 3hf9 n LEU 399 CO 0.41 2.28 0.61 0.00 -1.33 0.00 0.00 177.39 179.35 3hf9 s ALA 400 N -3.59 3.33 -0.33 -1.18 0.00 -1.26 -5.02 121.76 113.70 3hf9 s ALA 400 Ca 0.48 -2.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.11 3hf9 s ALA 400 Cb 0.31 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3hf9 s ALA 400 CO -0.16 -2.58 0.23 -0.51 0.00 0.00 0.00 175.76 172.73 3hf9 s LEU 401 N 3.08 4.46 0.73 0.00 2.01 -1.26 -5.00 118.68 122.69 3hf9 s LEU 401 Ca 0.18 -0.39 -0.11 0.00 0.01 0.00 0.00 54.13 53.82 3hf9 s LEU 401 Cb -0.19 -2.13 0.03 0.00 0.01 0.00 0.00 46.19 43.91 3hf9 s LEU 401 CO 0.05 -0.22 1.08 -2.84 1.01 0.00 0.00 176.35 175.43 3hf9 s PRO 402 N 1.72 2.66 -0.09 1.29 0.02 -1.26 -4.37 135.00 134.97 3hf9 s PRO 402 Ca 0.06 0.76 -0.00 0.00 0.02 0.00 0.00 61.00 61.84 3hf9 s PRO 402 Cb -0.17 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3hf9 s PRO 402 CO 0.10 -1.24 -0.06 -1.17 -0.33 0.00 0.00 177.00 174.30 3hf9 s LEU 403 N -5.58 1.13 -0.14 -5.54 0.20 -0.05 -3.09 118.68 105.61 3hf9 s LEU 403 Ca 0.59 -0.23 -0.02 0.00 0.69 0.00 0.00 54.13 55.15 3hf9 s LEU 403 Cb -0.14 -0.71 -0.03 0.00 -0.43 0.00 0.00 46.19 44.89 3hf9 s LEU 403 CO 0.54 -0.11 -0.06 -0.22 -0.29 0.00 0.00 176.35 176.22 3hf9 s LEU 404 N 1.54 3.14 -0.03 -0.68 2.96 0.96 -1.18 118.68 125.40 3hf9 s LEU 404 Ca 0.01 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3hf9 s LEU 404 Cb -0.13 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3hf9 s LEU 404 CO -0.05 0.19 -0.25 0.00 -1.32 0.00 0.00 176.35 174.92 3hf9 s ALA 405 N 0.21 2.20 0.26 5.97 0.00 -0.23 -0.74 121.76 129.44 3hf9 s ALA 405 Ca -0.04 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 3hf9 s ALA 405 Cb -0.14 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.41 3hf9 s ALA 405 CO 0.03 0.52 0.69 0.20 0.00 0.00 0.00 175.76 177.20 3hf9 s GLY 406 N -0.56 -0.11 -0.09 0.00 0.00 -0.23 -0.43 107.32 105.90 3hf9 s GLY 406 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.56 3hf9 s GLY 406 CO -0.00 -0.10 -0.11 -0.47 0.00 0.00 0.00 173.10 172.42 3hf9 s TYR 407 N -3.91 1.56 -0.53 1.90 5.04 0.56 0.00 117.35 121.98 3hf9 s TYR 407 Ca 0.11 -0.68 -0.17 0.00 -2.44 0.00 0.00 57.07 53.89 3hf9 s TYR 407 Cb -0.05 -1.19 0.09 0.00 0.35 0.00 0.00 41.96 41.16 3hf9 s TYR 407 CO 0.05 -0.39 0.55 0.34 -1.34 0.00 0.00 175.55 174.76 3hf9 s ASP 408 N 1.06 6.18 0.27 4.32 2.15 -0.35 -4.84 116.67 125.47 3hf9 s ASP 408 Ca -0.07 -1.35 -0.02 0.00 0.43 0.00 0.00 52.55 51.55 3hf9 s ASP 408 Cb -0.15 -2.25 0.37 0.00 -0.30 0.00 0.00 42.92 40.60 3hf9 s ASP 408 CO -0.01 -0.87 1.80 0.16 -0.17 0.00 0.00 175.17 176.07 3hf9 h ILE 409 N 5.85 1.23 0.00 4.11 3.07 -1.98 -2.16 117.51 127.64 3hf9 h ILE 409 Ca -0.29 -0.90 0.00 0.00 1.55 0.00 0.00 64.86 65.23 3hf9 h ILE 409 Cb 1.10 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 3hf9 h ILE 409 CO 0.99 0.33 0.00 1.41 -1.05 0.00 0.00 178.15 179.83 3hf9 n HIS 410 N -4.25 0.00 -2.51 0.16 8.25 -1.26 -4.79 115.22 110.82 3hf9 n HIS 410 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 3hf9 n HIS 410 Cb 0.26 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 3hf9 n HIS 410 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hf9 s ALA 411 N -2.02 3.39 0.11 -1.41 0.00 -0.81 -4.95 121.76 116.07 3hf9 s ALA 411 Ca 0.19 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 3hf9 s ALA 411 Cb 0.09 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3hf9 s ALA 411 CO 0.15 -0.16 1.71 0.66 0.00 0.00 0.00 175.76 178.12 3hf9 h SER 412 N 4.45 -0.19 -3.59 0.00 4.64 -1.89 -3.39 113.55 113.58 3hf9 h SER 412 Ca -0.45 0.04 -0.70 0.00 -0.47 0.00 0.00 61.79 60.20 3hf9 h SER 412 Cb 1.21 0.10 -0.23 0.00 -0.31 0.00 0.00 62.40 63.17 3hf9 h SER 412 CO 0.70 -0.08 -0.49 -0.62 -0.87 0.00 0.00 176.83 175.46 3hf9 s ASP 413 N -5.14 5.85 0.58 4.97 3.68 -1.26 -4.97 116.67 120.37 3hf9 s ASP 413 Ca -0.14 -0.83 0.36 0.00 2.13 0.00 0.00 52.55 54.07 3hf9 s ASP 413 Cb 0.08 -2.07 1.66 0.00 -1.45 0.00 0.00 42.92 41.14 3hf9 s ASP 413 CO 0.67 -0.36 2.10 -0.65 0.13 0.00 0.00 175.17 177.06 3hf9 h PRO 414 N 8.48 0.00 -0.43 4.34 0.11 -1.95 -2.92 132.00 139.63 3hf9 h PRO 414 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3hf9 h PRO 414 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3hf9 h PRO 414 CO 0.67 0.02 0.19 1.96 -0.21 0.00 0.00 178.00 180.64 3hf9 h GLN 415 N 0.00 0.63 -1.34 1.05 1.08 -1.93 -3.23 115.11 111.37 3hf9 h GLN 415 Ca -0.00 -0.11 -0.64 0.00 -1.45 0.00 0.00 58.65 56.45 3hf9 h GLN 415 Cb 0.36 -0.11 -0.36 0.00 -0.05 0.00 0.00 27.48 27.33 3hf9 h GLN 415 CO 0.00 0.57 0.03 -1.13 -0.95 0.00 0.00 178.83 177.35 3hf9 n SER 416 N -4.64 6.09 -0.58 1.46 3.41 -1.11 -0.35 113.62 117.90 3hf9 n SER 416 Ca 0.01 -3.77 0.13 0.00 -0.26 0.00 0.00 58.87 54.97 3hf9 n SER 416 Cb 0.13 -0.69 0.34 0.00 -0.26 0.00 0.00 64.21 63.73 3hf9 n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 417 N -0.64 2.70 -1.77 7.33 0.00 -1.18 -4.89 120.51 122.05 3hf9 n ALA 417 Ca 0.49 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 3hf9 n ALA 417 Cb 0.63 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 3hf9 n ALA 417 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf9 s GLY 418 N -2.11 2.82 -0.01 0.00 0.00 -1.26 -1.21 107.32 105.55 3hf9 s GLY 418 Ca 0.32 0.99 0.02 0.00 0.00 0.00 0.00 44.72 46.05 3hf9 s GLY 418 CO 0.37 1.48 -0.05 0.50 0.00 0.00 0.00 173.10 175.40 3hf9 s ARG 419 N -2.57 0.50 -0.08 2.90 1.81 0.10 -4.91 118.95 116.71 3hf9 s ARG 419 Ca 0.62 -0.17 0.01 0.00 -1.72 0.00 0.00 55.73 54.47 3hf9 s ARG 419 Cb -0.31 -0.50 0.02 0.00 -0.45 0.00 0.00 34.95 33.71 3hf9 s ARG 419 CO 0.38 0.07 -0.10 0.42 -0.68 0.00 0.00 175.30 175.39 3hf9 s ILE 420 N 0.10 1.04 -0.07 1.52 1.01 -1.26 -1.07 121.20 122.47 3hf9 s ILE 420 Ca -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3hf9 s ILE 420 Cb -0.05 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.45 3hf9 s ILE 420 CO -0.00 0.35 -0.12 -0.69 0.00 0.00 0.00 174.94 174.48 3hf9 s VAL 421 N 1.02 1.13 0.34 2.92 1.01 0.09 -1.52 120.40 125.40 3hf9 s VAL 421 Ca -0.08 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3hf9 s VAL 421 Cb -0.15 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 3hf9 s VAL 421 CO -0.00 0.36 -0.04 -0.94 0.00 0.00 0.00 175.10 174.47 3hf9 s SER 422 N 0.78 3.38 -0.03 3.32 1.04 -0.71 -0.03 113.70 121.45 3hf9 s SER 422 Ca -0.12 -1.26 0.07 0.00 0.48 0.00 0.00 55.95 55.11 3hf9 s SER 422 Cb -0.15 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 3hf9 s SER 422 CO 0.02 -0.35 -0.24 -0.36 0.98 0.00 0.00 173.24 173.29 3hf9 s PHE 423 N -2.82 2.18 0.82 5.02 0.40 -1.18 -1.32 117.98 121.09 3hf9 s PHE 423 Ca 0.33 -0.48 -0.10 0.00 -0.60 0.00 0.00 56.93 56.08 3hf9 s PHE 423 Cb 0.06 -1.41 0.12 0.00 0.51 0.00 0.00 43.02 42.30 3hf9 s PHE 423 CO 0.16 -0.08 1.15 0.16 0.70 0.00 0.00 175.22 177.31 3hf9 s ASP 424 N -0.44 4.09 0.45 1.36 1.47 -0.67 -4.81 116.67 118.12 3hf9 s ASP 424 Ca 0.06 0.34 0.27 0.00 1.18 0.00 0.00 52.55 54.40 3hf9 s ASP 424 Cb -0.10 -0.71 1.32 0.00 -0.34 0.00 0.00 42.92 43.09 3hf9 s ASP 424 CO 0.00 -2.10 1.74 0.00 0.68 0.00 0.00 175.17 175.49 3hf9 h ALA 425 N -1.05 2.64 -0.72 2.11 0.00 -2.01 -1.10 119.26 119.13 3hf9 h ALA 425 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hf9 h ALA 425 Cb 1.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hf9 h ALA 425 CO 0.51 -1.09 0.00 0.00 0.00 0.00 0.00 179.25 178.67 3hf9 n ALA 426 N -2.58 2.57 -0.83 0.00 0.00 -1.26 -4.93 120.51 113.48 3hf9 n ALA 426 Ca 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.36 3hf9 n ALA 426 Cb 1.15 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3hf9 n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf9 n GLY 427 N 1.54 0.51 3.78 0.00 0.00 -0.42 -4.98 105.19 105.63 3hf9 n GLY 427 Ca 0.25 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 3hf9 n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hf9 s GLY 428 N -2.60 2.37 0.64 -0.02 0.00 -1.26 -4.61 107.32 101.83 3hf9 s GLY 428 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 44.72 44.33 3hf9 s GLY 428 CO 0.00 0.37 1.00 0.66 0.00 0.00 0.00 173.10 175.12 3hf9 s TRP 429 N -0.20 3.38 -0.22 1.90 1.48 -1.26 -1.66 118.94 122.36 3hf9 s TRP 429 Ca 0.22 0.96 -0.10 0.00 -1.06 0.00 0.00 56.10 56.11 3hf9 s TRP 429 Cb -0.15 -2.84 0.08 0.00 -1.16 0.00 0.00 33.47 29.41 3hf9 s TRP 429 CO 0.09 -0.90 0.51 1.21 -4.06 0.00 0.00 176.95 173.80 3hf9 s ASN 430 N -4.29 -0.62 -0.05 -2.66 3.04 -0.43 -4.90 114.94 105.03 3hf9 s ASN 430 Ca 0.55 1.15 -0.17 0.00 0.04 0.00 0.00 52.86 54.44 3hf9 s ASN 430 Cb -0.11 1.29 -0.05 0.00 -1.54 0.00 0.00 41.25 40.84 3hf9 s ASN 430 CO 0.50 -0.22 0.45 -0.63 -3.04 0.00 0.00 177.10 174.16 3hf9 s ILE 431 N 2.02 5.08 -0.31 -5.21 1.01 -1.26 -1.73 121.20 120.80 3hf9 s ILE 431 Ca -0.07 0.91 -0.22 0.00 0.00 0.00 0.00 60.65 61.28 3hf9 s ILE 431 Cb -0.09 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 3hf9 s ILE 431 CO -0.15 0.46 0.72 -1.61 0.00 0.00 0.00 174.94 174.36 3hf9 s GLU 432 N -0.26 3.93 0.00 2.79 0.41 -0.57 -4.90 118.70 120.09 3hf9 s GLU 432 Ca 0.25 0.45 0.14 0.00 -0.41 0.00 0.00 54.97 55.41 3hf9 s GLU 432 Cb -0.16 -3.73 0.12 0.00 -1.78 0.00 0.00 34.13 28.58 3hf9 s GLU 432 CO 0.12 -0.64 0.96 0.39 -0.49 0.00 0.00 175.26 175.60 3hf9 n GLU 433 N 6.07 1.02 0.00 1.61 1.02 -1.26 -4.31 120.64 124.79 3hf9 n GLU 433 Ca 0.02 -1.37 0.13 0.00 -0.02 0.00 0.00 57.16 55.92 3hf9 n GLU 433 Cb 0.48 -1.28 0.48 0.00 -0.02 0.00 0.00 31.44 31.10 3hf9 n GLU 433 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hf9 n GLU 434 N 0.81 0.08 0.00 3.49 1.02 -1.26 -4.96 120.64 119.82 3hf9 n GLU 434 Ca 0.08 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3hf9 n GLU 434 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3hf9 n GLU 434 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hf9 n GLY 435 N 1.47 3.20 3.22 0.62 0.00 -1.26 -5.02 105.19 107.42 3hf9 n GLY 435 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3hf9 n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hf9 s TYR 436 N -2.92 1.24 -0.02 1.61 1.13 -1.26 -0.41 117.35 116.71 3hf9 s TYR 436 Ca 0.00 -1.37 -0.29 0.00 -1.41 0.00 0.00 57.07 54.00 3hf9 s TYR 436 Cb 0.00 -0.61 0.10 0.00 -1.10 0.00 0.00 41.96 40.35 3hf9 s TYR 436 CO 0.00 -0.61 0.90 -1.14 -2.51 0.00 0.00 175.55 172.19 3hf9 s GLN 437 N -4.11 0.79 -0.06 -3.49 2.00 -0.47 -4.93 119.66 109.38 3hf9 s GLN 437 Ca 0.39 -0.28 -0.19 0.00 -2.00 0.00 0.00 55.36 53.28 3hf9 s GLN 437 Cb 0.07 0.37 0.04 0.00 0.80 0.00 0.00 33.01 34.28 3hf9 s GLN 437 CO 0.13 -0.35 0.43 0.00 -0.50 0.00 0.00 175.29 175.00 3hf9 s ALA 438 N -3.05 -1.09 0.16 1.58 0.00 -1.26 -1.57 121.76 116.51 3hf9 s ALA 438 Ca 0.05 0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.85 3hf9 s ALA 438 Cb -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3hf9 s ALA 438 CO -0.09 -0.27 -0.05 0.14 0.00 0.00 0.00 175.76 175.49 3hf9 s VAL 439 N -0.87 0.91 0.00 0.00 -7.23 -0.65 -4.87 120.40 107.69 3hf9 s VAL 439 Ca -0.09 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3hf9 s VAL 439 Cb -0.04 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.95 3hf9 s VAL 439 CO 0.05 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 3hf9 n GLY 440 N -0.21 1.11 0.36 2.32 0.00 -1.26 -1.22 105.19 106.29 3hf9 n GLY 440 Ca -0.09 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.88 3hf9 n GLY 440 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 441 N 0.00 0.68 -0.27 1.61 4.64 -1.97 0.01 113.55 118.25 3hf9 h SER 441 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hf9 h SER 441 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hf9 h SER 441 CO 0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 3hf9 n GLY 442 N -1.44 0.38 0.35 -0.77 0.00 -1.26 -4.44 105.19 98.00 3hf9 n GLY 442 Ca 0.12 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hf9 n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 443 N 1.85 0.33 -0.20 1.61 4.64 -1.20 -2.22 113.55 118.37 3hf9 h SER 443 Ca 0.00 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3hf9 h SER 443 Cb 0.42 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hf9 h SER 443 CO 0.00 0.20 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.91 3hf9 h LEU 444 N 0.37 0.50 -0.36 5.97 3.38 -1.81 -1.65 115.31 121.72 3hf9 h LEU 444 Ca 0.25 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3hf9 h LEU 444 Cb 0.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hf9 h LEU 444 CO -0.06 0.87 0.10 -0.26 0.09 0.00 0.00 178.44 179.17 3hf9 h PHE 445 N 0.14 0.59 -0.06 1.13 0.04 -1.78 -1.69 116.94 115.30 3hf9 h PHE 445 Ca 0.03 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.76 3hf9 h PHE 445 Cb 0.72 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 3hf9 h PHE 445 CO 0.08 0.58 -0.09 0.00 -0.60 0.00 0.00 178.31 178.28 3hf9 h ALA 446 N 0.94 -0.05 -0.57 2.45 0.00 -1.35 0.54 119.26 121.22 3hf9 h ALA 446 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hf9 h ALA 446 Cb 0.28 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hf9 h ALA 446 CO -0.00 -0.56 0.37 0.87 0.00 0.00 0.00 179.25 179.92 3hf9 h LYS 447 N -0.13 0.71 0.00 0.00 1.57 -1.23 0.39 116.57 117.89 3hf9 h LYS 447 Ca 0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3hf9 h LYS 447 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hf9 h LYS 447 CO -0.14 0.47 -0.27 0.77 -0.57 0.00 0.00 179.45 179.72 3hf9 h SER 448 N 0.73 0.00 -0.03 0.86 0.02 -1.00 0.45 113.55 114.58 3hf9 h SER 448 Ca 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3hf9 h SER 448 Cb -0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3hf9 h SER 448 CO -0.07 0.27 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.57 3hf9 h SER 449 N 0.00 0.09 -0.65 3.07 0.87 -0.23 -3.24 113.55 113.46 3hf9 h SER 449 Ca -0.00 -0.50 0.02 0.00 -1.23 0.00 0.00 61.79 60.07 3hf9 h SER 449 Cb 0.55 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3hf9 h SER 449 CO 0.03 0.57 0.43 0.24 -0.53 0.00 0.00 176.83 177.57 3hf9 h MET 450 N -0.39 0.82 -0.97 2.24 2.07 -0.52 -1.17 114.93 117.01 3hf9 h MET 450 Ca 0.00 -0.05 0.20 0.00 -2.07 0.00 0.00 59.70 57.79 3hf9 h MET 450 Cb 0.55 -0.19 -0.11 0.00 -1.87 0.00 0.00 31.60 29.98 3hf9 h MET 450 CO 0.01 0.54 0.55 -0.22 1.07 0.00 0.00 176.91 178.86 3hf9 h LYS 451 N 0.85 0.63 0.00 1.72 3.64 -0.94 0.18 116.57 122.65 3hf9 h LYS 451 Ca 0.25 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.37 3hf9 h LYS 451 Cb -0.04 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 3hf9 h LYS 451 CO -0.06 0.42 -1.10 0.87 -2.27 0.00 0.00 179.45 177.31 3hf9 h LYS 452 N 0.65 0.00 0.00 1.90 1.79 -1.29 -3.37 116.57 116.25 3hf9 h LYS 452 Ca 0.58 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 3hf9 h LYS 452 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 3hf9 h LYS 452 CO -0.42 0.86 -1.07 1.28 -1.08 0.00 0.00 179.45 179.02 3hf9 n LEU 453 N -3.28 0.79 -0.08 2.94 4.77 -0.71 -4.52 117.00 116.91 3hf9 n LEU 453 Ca -0.03 -0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 55.56 3hf9 n LEU 453 Cb 0.94 -0.04 0.16 0.00 -2.33 0.00 0.00 43.42 42.15 3hf9 n LEU 453 CO 0.46 0.19 0.82 0.22 -1.33 0.00 0.00 177.39 177.75 3hf9 h TYR 454 N 0.00 0.80 -1.32 -1.77 3.20 -0.84 -1.45 116.97 115.59 3hf9 h TYR 454 Ca 0.00 -0.13 0.39 0.00 3.14 0.00 0.00 58.73 62.12 3hf9 h TYR 454 Cb 0.58 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 3hf9 h TYR 454 CO 0.00 0.79 0.91 0.66 -1.64 0.00 0.00 178.16 178.88 3hf9 h SER 455 N 0.67 0.14 -0.01 -2.11 4.64 -1.84 0.55 113.55 115.61 3hf9 h SER 455 Ca 0.12 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3hf9 h SER 455 Cb 0.54 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hf9 h SER 455 CO 0.03 -0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3hf9 n GLN 456 N -4.34 1.04 -3.15 4.77 6.02 -0.55 -4.81 117.38 116.36 3hf9 n GLN 456 Ca 0.31 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.83 3hf9 n GLN 456 Cb 1.34 -1.28 -0.07 0.00 1.02 0.00 0.00 30.24 31.26 3hf9 n GLN 456 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hf9 s VAL 457 N -1.99 4.98 0.00 5.09 1.01 0.18 -4.83 120.40 124.85 3hf9 s VAL 457 Ca 0.26 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3hf9 s VAL 457 Cb 0.12 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3hf9 s VAL 457 CO 0.20 -0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.59 3hf9 n THR 458 N 5.31 0.00 -4.15 3.92 -2.24 -1.26 -4.86 114.28 111.00 3hf9 n THR 458 Ca -0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3hf9 n THR 458 Cb 0.49 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3hf9 n THR 458 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf9 n ASP 459 N -1.21 -0.39 0.22 3.42 5.75 -1.26 -4.47 116.55 118.61 3hf9 n ASP 459 Ca 0.00 -2.18 0.06 0.00 -0.01 0.00 0.00 54.79 52.67 3hf9 n ASP 459 Cb 0.20 0.91 0.50 0.00 -1.03 0.00 0.00 41.12 41.69 3hf9 n ASP 459 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hf9 h GLY 460 N 1.10 0.00 0.82 6.12 0.00 -1.96 -1.96 103.07 107.20 3hf9 h GLY 460 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 3hf9 h GLY 460 CO 0.18 0.00 -0.65 -1.80 0.00 0.00 0.00 176.54 174.28 3hf9 h ASP 461 N 0.00 0.57 -0.29 0.19 -0.00 -1.99 -1.77 116.42 113.13 3hf9 h ASP 461 Ca -0.00 -0.76 -0.14 0.00 -0.00 0.00 0.00 57.03 56.13 3hf9 h ASP 461 Cb 0.49 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.64 3hf9 h ASP 461 CO 0.03 1.26 -0.33 0.77 -0.00 0.00 0.00 179.24 180.97 3hf9 h SER 462 N -0.06 0.86 -0.85 2.28 4.64 -1.90 -1.99 113.55 116.53 3hf9 h SER 462 Ca -0.08 -0.36 0.15 0.00 -0.47 0.00 0.00 61.79 61.02 3hf9 h SER 462 Cb 1.36 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 63.11 3hf9 h SER 462 CO 0.13 1.11 0.44 1.23 -0.87 0.00 0.00 176.83 178.87 3hf9 h GLY 463 N 0.90 1.38 1.19 -0.77 0.00 -1.36 0.61 103.07 105.03 3hf9 h GLY 463 Ca 0.07 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3hf9 h GLY 463 CO 0.08 -0.04 -0.12 -2.00 0.00 0.00 0.00 176.54 174.46 3hf9 h LEU 464 N 0.62 0.94 -0.13 3.11 6.46 -0.79 -1.14 115.31 124.38 3hf9 h LEU 464 Ca 0.46 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 3hf9 h LEU 464 Cb 0.66 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3hf9 h LEU 464 CO -0.36 1.07 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.41 3hf9 h ARG 465 N 0.84 0.25 -0.63 1.25 2.43 -0.50 -1.73 114.38 116.29 3hf9 h ARG 465 Ca 0.13 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3hf9 h ARG 465 Cb 0.66 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 3hf9 h ARG 465 CO 0.05 0.53 0.35 0.28 -1.51 0.00 0.00 179.97 179.67 3hf9 h VAL 466 N -0.05 0.98 -0.58 0.20 2.07 -0.83 0.32 116.25 118.36 3hf9 h VAL 466 Ca 0.03 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.39 3hf9 h VAL 466 Cb 0.43 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3hf9 h VAL 466 CO 0.01 0.12 0.27 0.00 0.02 0.00 0.00 177.57 177.99 3hf9 h ALA 467 N 1.32 0.75 -0.41 1.67 0.00 -1.12 -0.13 119.26 121.35 3hf9 h ALA 467 Ca 0.28 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3hf9 h ALA 467 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hf9 h ALA 467 CO -0.17 -0.10 -0.27 0.28 0.00 0.00 0.00 179.25 179.00 3hf9 h VAL 468 N 0.50 1.27 -0.46 0.00 2.07 -0.30 -2.01 116.25 117.33 3hf9 h VAL 468 Ca 0.27 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 3hf9 h VAL 468 Cb 0.24 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3hf9 h VAL 468 CO -0.22 0.48 0.16 -0.08 0.02 0.00 0.00 177.57 177.93 3hf9 h GLU 469 N 0.73 0.71 -0.43 1.57 4.81 -0.06 0.44 114.58 122.35 3hf9 h GLU 469 Ca 0.09 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3hf9 h GLU 469 Cb 0.82 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3hf9 h GLU 469 CO 0.07 0.66 0.14 0.00 -0.73 0.00 0.00 179.01 179.15 3hf9 h ALA 470 N 1.01 0.50 0.00 2.92 0.00 -0.88 0.28 119.26 123.10 3hf9 h ALA 470 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 470 Cb 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hf9 h ALA 470 CO -0.01 -0.25 -0.21 -0.07 0.00 0.00 0.00 179.25 178.71 3hf9 h LEU 471 N 0.30 0.00 -0.15 0.00 3.38 -1.09 -1.03 115.31 116.72 3hf9 h LEU 471 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3hf9 h LEU 471 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hf9 h LEU 471 CO -0.22 0.21 -0.11 0.22 0.09 0.00 0.00 178.44 178.63 3hf9 h TYR 472 N 0.00 0.39 -0.37 1.13 3.20 0.11 -2.34 116.97 119.10 3hf9 h TYR 472 Ca -0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3hf9 h TYR 472 Cb 0.40 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3hf9 h TYR 472 CO 0.00 0.70 0.23 -0.44 -1.64 0.00 0.00 178.16 177.01 3hf9 h ASP 473 N -0.02 0.42 -0.30 -2.11 3.32 -0.11 -1.69 116.42 115.93 3hf9 h ASP 473 Ca 0.03 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3hf9 h ASP 473 Cb 0.61 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3hf9 h ASP 473 CO 0.03 0.32 -0.15 0.00 -1.72 0.00 0.00 179.24 177.72 3hf9 h ALA 474 N 1.76 0.42 0.00 3.45 0.00 -1.12 -2.57 119.26 121.20 3hf9 h ALA 474 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hf9 h ALA 474 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hf9 h ALA 474 CO -0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3hf9 h ALA 475 N 0.76 1.00 0.03 0.00 0.00 -0.84 0.31 119.26 120.51 3hf9 h ALA 475 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3hf9 h ALA 475 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3hf9 h ALA 475 CO 0.04 0.00 -1.04 0.22 0.00 0.00 0.00 179.25 178.47 3hf9 h ASP 476 N 0.00 0.10 -0.00 0.00 3.58 -0.92 -3.33 116.42 115.84 3hf9 h ASP 476 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 3hf9 h ASP 476 Cb 0.42 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3hf9 h ASP 476 CO 0.00 1.07 -0.30 0.47 -2.88 0.00 0.00 179.24 177.60 3hf9 n ASP 477 N -3.40 0.72 -4.01 2.28 8.00 -1.03 -4.96 116.55 114.13 3hf9 n ASP 477 Ca -0.02 -0.86 -0.26 0.00 0.71 0.00 0.00 54.79 54.37 3hf9 n ASP 477 Cb 0.95 0.77 -0.17 0.00 -0.02 0.00 0.00 41.12 42.65 3hf9 n ASP 477 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hf9 s ASP 478 N -1.56 1.97 0.11 -2.24 2.15 0.07 -5.02 116.67 112.15 3hf9 s ASP 478 Ca 0.05 -0.32 0.26 0.00 0.43 0.00 0.00 52.55 52.97 3hf9 s ASP 478 Cb 0.07 -0.88 0.82 0.00 -0.30 0.00 0.00 42.92 42.62 3hf9 s ASP 478 CO 0.29 0.01 1.70 -1.54 -0.17 0.00 0.00 175.17 175.46 3hf9 n SER 479 N 4.05 0.52 -0.07 -0.34 3.41 -1.26 -3.23 113.62 116.70 3hf9 n SER 479 Ca -0.21 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 3hf9 n SER 479 Cb 0.51 -0.42 0.34 0.00 -0.26 0.00 0.00 64.21 64.38 3hf9 n SER 479 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 n ALA 480 N -1.68 3.27 -2.88 7.33 0.00 -1.26 -4.77 120.51 120.52 3hf9 n ALA 480 Ca 0.06 -0.33 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 3hf9 n ALA 480 Cb 0.40 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 3hf9 n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hf9 s THR 481 N -2.84 4.56 0.08 0.00 2.01 -1.20 -4.67 115.64 113.58 3hf9 s THR 481 Ca 0.16 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 3hf9 s THR 481 Cb 0.18 -3.06 -0.07 0.00 0.01 0.00 0.00 72.50 69.56 3hf9 s THR 481 CO 0.62 0.44 0.64 -0.83 -0.69 0.00 0.00 174.62 174.80 3hf9 s GLY 482 N 0.65 2.73 0.39 4.40 0.00 -1.26 -4.47 107.32 109.75 3hf9 s GLY 482 Ca 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.85 3hf9 s GLY 482 CO 0.02 0.65 0.54 0.61 0.00 0.00 0.00 173.10 174.91 3hf9 n GLY 483 N 1.86 0.28 3.65 0.20 0.00 -1.26 -4.55 105.19 105.37 3hf9 n GLY 483 Ca -0.08 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3hf9 n GLY 483 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hf9 s PRO 484 N -3.90 4.13 -0.62 1.61 0.02 -1.26 -4.91 135.00 130.07 3hf9 s PRO 484 Ca 0.34 1.60 -0.24 0.00 0.02 0.00 0.00 61.00 62.72 3hf9 s PRO 484 Cb -0.02 -3.82 0.05 0.00 0.02 0.00 0.00 34.50 30.73 3hf9 s PRO 484 CO 0.23 -0.85 1.00 0.34 -0.33 0.00 0.00 177.00 177.39 3hf9 s ASP 485 N 2.41 6.25 0.18 2.53 3.68 -0.62 -4.89 116.67 126.21 3hf9 s ASP 485 Ca 0.57 -0.62 0.09 0.00 2.13 0.00 0.00 52.55 54.72 3hf9 s ASP 485 Cb -0.21 -2.45 0.01 0.00 -1.45 0.00 0.00 42.92 38.82 3hf9 s ASP 485 CO 0.18 -1.40 1.41 -0.07 0.13 0.00 0.00 175.17 175.42 3hf9 h LEU 486 N 11.41 0.00 -0.42 -1.34 3.38 -1.93 0.16 115.31 126.56 3hf9 h LEU 486 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hf9 h LEU 486 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3hf9 h LEU 486 CO 1.15 0.84 0.26 0.58 0.09 0.00 0.00 178.44 181.36 3hf9 h VAL 487 N 0.00 1.13 -0.00 1.22 2.07 -1.98 -3.09 116.25 115.61 3hf9 h VAL 487 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hf9 h VAL 487 Cb 1.51 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3hf9 h VAL 487 CO 0.11 0.13 -0.68 0.54 0.02 0.00 0.00 177.57 177.69 3hf9 n ARG 488 N -4.76 0.03 -3.20 1.57 1.74 -1.22 -4.99 116.66 105.83 3hf9 n ARG 488 Ca 0.01 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.92 3hf9 n ARG 488 Cb 0.05 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.06 3hf9 n ARG 488 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hf9 n GLY 489 N 1.50 -0.22 3.20 -0.13 0.00 0.48 -5.03 105.19 104.98 3hf9 n GLY 489 Ca 0.05 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3hf9 n GLY 489 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hf9 s ILE 490 N -3.29 2.09 0.21 -0.61 1.01 -0.78 -5.01 121.20 114.81 3hf9 s ILE 490 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3hf9 s ILE 490 Cb -0.02 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3hf9 s ILE 490 CO 0.60 0.55 0.01 -0.36 0.00 0.00 0.00 174.94 175.74 3hf9 s PHE 491 N 0.57 1.42 0.72 3.97 0.40 -1.26 -1.58 117.98 122.21 3hf9 s PHE 491 Ca -0.13 -0.99 -0.16 0.00 -0.60 0.00 0.00 56.93 55.05 3hf9 s PHE 491 Cb -0.17 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.57 3hf9 s PHE 491 CO 0.04 -0.14 1.23 -2.30 0.70 0.00 0.00 175.22 174.75 3hf9 n PRO 492 N -0.36 0.71 -3.44 0.24 -0.02 -1.26 -4.84 135.00 126.03 3hf9 n PRO 492 Ca -0.05 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 3hf9 n PRO 492 Cb 0.64 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3hf9 n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hf9 s THR 493 N -1.70 4.95 0.12 3.45 -4.23 -0.71 -4.91 115.64 112.62 3hf9 s THR 493 Ca 0.79 0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 61.92 3hf9 s THR 493 Cb -0.34 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 3hf9 s THR 493 CO 0.45 0.22 0.06 0.00 -0.54 0.00 0.00 174.62 174.81 3hf9 s ALA 494 N -1.49 0.74 -0.03 3.99 0.00 -1.26 -1.04 121.76 122.67 3hf9 s ALA 494 Ca 0.37 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 3hf9 s ALA 494 Cb -0.14 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.78 3hf9 s ALA 494 CO 0.19 -0.49 0.07 0.08 0.00 0.00 0.00 175.76 175.62 3hf9 s VAL 495 N -4.02 -0.02 -0.08 0.00 1.01 0.02 -1.65 120.40 115.66 3hf9 s VAL 495 Ca 0.21 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.30 3hf9 s VAL 495 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.34 3hf9 s VAL 495 CO -0.00 0.03 -0.21 -0.63 0.00 0.00 0.00 175.10 174.28 3hf9 s ILE 496 N 0.38 1.82 -0.15 2.22 1.01 -0.12 -1.30 121.20 125.05 3hf9 s ILE 496 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 3hf9 s ILE 496 Cb -0.04 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3hf9 s ILE 496 CO -0.01 0.51 -0.12 -0.63 0.00 0.00 0.00 174.94 174.68 3hf9 s ILE 497 N 0.28 2.99 0.34 2.92 1.01 0.49 -1.28 121.20 127.96 3hf9 s ILE 497 Ca -0.14 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3hf9 s ILE 497 Cb -0.16 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3hf9 s ILE 497 CO 0.06 0.51 0.16 -0.90 0.00 0.00 0.00 174.94 174.77 3hf9 n ASP 498 N 3.90 0.67 -0.28 3.58 5.75 -1.09 -1.71 116.55 127.37 3hf9 n ASP 498 Ca -0.18 -2.93 0.02 0.00 -0.01 0.00 0.00 54.79 51.69 3hf9 n ASP 498 Cb 0.52 1.08 0.22 0.00 -1.03 0.00 0.00 41.12 41.91 3hf9 n ASP 498 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hf9 h ALA 499 N 1.70 1.46 -0.88 2.12 0.00 -1.95 -1.22 119.26 120.48 3hf9 h ALA 499 Ca -0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3hf9 h ALA 499 Cb 1.07 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3hf9 h ALA 499 CO 0.40 0.46 0.46 -0.44 0.00 0.00 0.00 179.25 180.13 3hf9 h ASP 500 N 1.08 1.13 -2.42 0.00 5.19 -1.96 -3.48 116.42 115.95 3hf9 h ASP 500 Ca 0.34 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3hf9 h ASP 500 Cb 0.02 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.24 3hf9 h ASP 500 CO -0.10 0.92 0.00 0.61 -3.12 0.00 0.00 179.24 177.55 3hf9 n GLY 501 N -1.08 -0.54 3.78 2.75 0.00 -0.46 -5.07 105.19 104.57 3hf9 n GLY 501 Ca 0.09 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 3hf9 n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hf9 s ALA 502 N -1.39 3.17 -0.14 4.61 0.00 -0.05 -2.69 121.76 125.28 3hf9 s ALA 502 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 3hf9 s ALA 502 Cb 0.00 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.94 3hf9 s ALA 502 CO 0.00 0.03 0.35 0.08 0.00 0.00 0.00 175.76 176.22 3hf9 s VAL 503 N -1.64 -0.01 0.14 0.00 1.01 -0.40 -4.99 120.40 114.52 3hf9 s VAL 503 Ca 0.53 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3hf9 s VAL 503 Cb -0.20 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 3hf9 s VAL 503 CO 0.25 0.02 1.16 -1.81 0.00 0.00 0.00 175.10 174.72 3hf9 s ASP 504 N 0.58 7.16 0.00 3.32 1.01 -1.26 -0.95 116.67 126.53 3hf9 s ASP 504 Ca -0.03 2.11 -0.29 0.00 0.71 0.00 0.00 52.55 55.04 3hf9 s ASP 504 Cb -0.05 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3hf9 s ASP 504 CO -0.04 -0.34 0.95 -0.69 0.21 0.00 0.00 175.17 175.26 3hf9 s VAL 505 N 0.23 4.85 0.43 -1.27 1.01 -0.66 -4.91 120.40 120.08 3hf9 s VAL 505 Ca 0.53 2.00 -0.25 0.00 0.00 0.00 0.00 61.98 64.26 3hf9 s VAL 505 Cb -0.30 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 3hf9 s VAL 505 CO 0.34 0.19 1.26 -2.84 0.00 0.00 0.00 175.10 174.04 3hf9 s PRO 506 N 0.88 3.87 0.39 2.72 0.02 -1.26 -4.54 135.00 137.08 3hf9 s PRO 506 Ca 0.50 2.04 0.06 0.00 0.02 0.00 0.00 61.00 63.62 3hf9 s PRO 506 Cb -0.21 -2.64 0.78 0.00 0.02 0.00 0.00 34.50 32.46 3hf9 s PRO 506 CO 0.27 -0.54 2.00 1.49 -0.33 0.00 0.00 177.00 179.90 3hf9 h GLU 507 N 2.45 0.53 -0.65 5.54 4.81 -1.95 -2.18 114.58 123.14 3hf9 h GLU 507 Ca -0.49 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.73 3hf9 h GLU 507 Cb 1.25 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 3hf9 h GLU 507 CO 0.62 0.41 0.37 0.77 -0.73 0.00 0.00 179.01 180.45 3hf9 h SER 508 N 0.54 0.56 -0.62 1.04 0.02 -1.99 0.29 113.55 113.38 3hf9 h SER 508 Ca 0.14 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3hf9 h SER 508 Cb 0.05 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3hf9 h SER 508 CO -0.02 0.37 0.17 -0.09 -1.14 0.00 0.00 176.83 176.12 3hf9 h ARG 509 N 0.69 0.98 -0.69 3.45 2.43 -1.77 -2.97 114.38 116.49 3hf9 h ARG 509 Ca 0.28 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3hf9 h ARG 509 Cb 0.14 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3hf9 h ARG 509 CO -0.16 0.88 0.14 0.82 -1.51 0.00 0.00 179.97 180.13 3hf9 h ILE 510 N 0.89 1.26 -0.91 1.20 2.04 -1.25 -2.94 117.51 117.80 3hf9 h ILE 510 Ca 0.20 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3hf9 h ILE 510 Cb 0.32 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3hf9 h ILE 510 CO -0.00 0.39 0.51 0.00 0.00 0.00 0.00 178.15 179.04 3hf9 h ALA 511 N 1.08 1.17 -0.65 1.87 0.00 -0.36 0.06 119.26 122.44 3hf9 h ALA 511 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 511 Cb 0.41 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hf9 h ALA 511 CO 0.01 0.67 0.21 1.49 0.00 0.00 0.00 179.25 181.63 3hf9 h GLU 512 N 1.28 1.00 -0.45 0.00 4.81 -1.41 -1.69 114.58 118.11 3hf9 h GLU 512 Ca 0.32 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3hf9 h GLU 512 Cb 0.02 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3hf9 h GLU 512 CO -0.05 0.87 0.08 -0.07 -0.73 0.00 0.00 179.01 179.11 3hf9 h LEU 513 N 0.93 0.70 -0.36 1.64 3.38 -1.20 -1.30 115.31 119.11 3hf9 h LEU 513 Ca 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3hf9 h LEU 513 Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hf9 h LEU 513 CO -0.01 0.78 0.07 0.00 0.09 0.00 0.00 178.44 179.37 3hf9 h ALA 514 N 0.95 0.47 -0.65 1.53 0.00 -0.87 -2.55 119.26 118.15 3hf9 h ALA 514 Ca 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3hf9 h ALA 514 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hf9 h ALA 514 CO 0.01 0.16 0.08 0.00 0.00 0.00 0.00 179.25 179.49 3hf9 h ARG 515 N 0.42 1.10 -0.61 0.00 3.08 -1.29 -1.47 114.38 115.61 3hf9 h ARG 515 Ca 0.11 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3hf9 h ARG 515 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3hf9 h ARG 515 CO 0.00 1.02 0.30 0.00 -1.07 0.00 0.00 179.97 180.22 3hf9 h ALA 516 N 1.03 0.78 -0.56 0.04 0.00 -1.19 -2.33 119.26 117.03 3hf9 h ALA 516 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hf9 h ALA 516 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hf9 h ALA 516 CO 0.02 0.34 0.07 0.82 0.00 0.00 0.00 179.25 180.50 3hf9 h ILE 517 N 0.83 1.26 -0.35 0.00 2.04 -1.26 -0.43 117.51 119.60 3hf9 h ILE 517 Ca 0.21 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3hf9 h ILE 517 Cb 0.11 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3hf9 h ILE 517 CO -0.03 0.36 0.21 0.40 0.00 0.00 0.00 178.15 179.09 3hf9 h ILE 518 N 0.83 1.12 -0.31 -0.67 2.04 -1.08 -2.33 117.51 117.11 3hf9 h ILE 518 Ca 0.17 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 3hf9 h ILE 518 Cb 0.44 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3hf9 h ILE 518 CO 0.01 0.12 -0.20 -0.33 0.00 0.00 0.00 178.15 177.75 3hf9 h GLU 519 N 0.45 0.58 -0.10 2.37 5.08 -1.36 -2.68 114.58 118.92 3hf9 h GLU 519 Ca 0.12 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3hf9 h GLU 519 Cb 0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3hf9 h GLU 519 CO -0.02 0.75 0.08 1.03 -1.00 0.00 0.00 179.01 179.85 3hf9 h SER 520 N 0.52 0.00 -0.51 1.42 0.87 -0.53 -0.86 113.55 114.46 3hf9 h SER 520 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3hf9 h SER 520 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3hf9 h SER 520 CO 0.05 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.89 3hf9 n ARG 521 N -4.25 2.96 0.00 2.24 1.74 -1.03 -5.08 116.66 113.25 3hf9 n ARG 521 Ca -0.01 -2.44 0.14 0.00 -0.77 0.00 0.00 57.85 54.77 3hf9 n ARG 521 Cb 0.20 -1.50 0.44 0.00 -1.02 0.00 0.00 32.46 30.58 3hf9 n ARG 521 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54