#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkx s HIS 334 N 0.00 3.45 0.00 6.00 3.76 -1.26 -5.01 115.29 122.24 1hkx s HIS 334 Ca 0.00 -1.96 0.00 0.00 -0.15 0.00 0.00 55.06 52.95 1hkx s HIS 334 Cb 0.00 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.38 1hkx s HIS 334 CO 0.00 -0.96 0.55 0.00 -0.85 0.00 0.00 174.74 173.48 1hkx n MET 335 N 4.82 0.00 0.00 1.40 0.00 -1.26 -3.38 117.12 118.70 1hkx n MET 335 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.63 1hkx n MET 335 Cb 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 33.22 32.80 1hkx n MET 335 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1hkx n THR 336 N 3.18 0.00 -1.55 3.17 -1.04 -1.26 -5.02 114.28 111.77 1hkx n THR 336 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1hkx n THR 336 Cb 0.28 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.74 1hkx n THR 336 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1hkx n THR 337 N -0.63 2.15 0.07 12.58 -1.04 -1.22 -1.03 114.28 125.15 1hkx n THR 337 Ca 0.00 -2.01 0.00 0.00 -2.04 0.00 0.00 64.05 60.00 1hkx n THR 337 Cb 0.00 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.20 1hkx n THR 337 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1hkx n ILE 338 N 6.42 0.00 -0.07 12.58 5.41 -1.26 -4.86 119.36 137.58 1hkx n ILE 338 Ca 0.49 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.11 1hkx n ILE 338 Cb 0.42 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.27 1hkx n ILE 338 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1hkx h GLU 339 N 0.00 0.00 -0.65 0.38 5.08 -1.79 -3.10 114.58 114.50 1hkx h GLU 339 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1hkx h GLU 339 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1hkx h GLU 339 CO 0.00 0.69 0.46 0.22 -1.00 0.00 0.00 179.01 179.39 1hkx h ASP 340 N -1.00 0.03 1.38 1.42 3.58 -1.44 0.54 116.42 120.93 1hkx h ASP 340 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1hkx h ASP 340 Cb 0.82 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1hkx h ASP 340 CO -0.05 0.01 0.00 -0.08 -2.88 0.00 0.00 179.24 176.24 1hkx h GLU 341 N 0.03 0.00 0.00 0.28 4.57 -1.71 -2.74 114.58 115.00 1hkx h GLU 341 Ca 0.31 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.29 1hkx h GLU 341 Cb 1.20 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 1hkx h GLU 341 CO -0.01 0.00 -1.97 -0.40 -1.18 0.00 0.00 179.01 175.45 1hkx n ASP 342 N -2.97 0.28 0.20 1.04 5.75 0.18 -3.37 116.55 117.66 1hkx n ASP 342 Ca 0.02 0.12 0.05 0.00 -0.01 0.00 0.00 54.79 54.97 1hkx n ASP 342 Cb 0.39 1.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.89 1hkx n ASP 342 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1hkx h THR 343 N 0.00 1.09 -0.26 2.12 1.35 -1.29 0.38 112.91 116.30 1hkx h THR 343 Ca -0.27 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 64.35 1hkx h THR 343 Cb 1.69 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.78 1hkx h THR 343 CO 0.03 0.32 0.01 0.50 -0.25 0.00 0.00 175.52 176.13 1hkx h LYS 344 N 0.00 0.45 0.00 4.72 1.63 -1.57 -1.29 116.57 120.51 1hkx h LYS 344 Ca -0.00 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.51 1hkx h LYS 344 Cb 0.64 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1hkx h LYS 344 CO 0.04 0.61 -0.67 -0.39 -3.45 0.00 0.00 179.45 175.59 1hkx h VAL 345 N 0.24 1.30 -0.48 2.00 -1.51 -1.37 -2.57 116.25 113.84 1hkx h VAL 345 Ca 0.07 -2.47 -0.13 0.00 -1.23 0.00 0.00 66.70 62.94 1hkx h VAL 345 Cb 0.40 2.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 1hkx h VAL 345 CO 0.01 0.66 -0.21 0.03 -1.23 0.00 0.00 177.57 176.83 1hkx h ARG 346 N 0.00 0.98 -0.38 5.19 3.08 -0.17 -0.78 114.38 122.31 1hkx h ARG 346 Ca -0.01 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 1hkx h ARG 346 Cb 1.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1hkx h ARG 346 CO 0.09 1.09 -0.26 0.87 -1.07 0.00 0.00 179.97 180.69 1hkx h LYS 347 N 0.85 0.79 -0.10 0.04 1.57 -1.20 -1.92 116.57 116.60 1hkx h LYS 347 Ca 0.11 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1hkx h LYS 347 Cb 0.79 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1hkx h LYS 347 CO 0.07 0.96 -0.25 0.37 -0.57 0.00 0.00 179.45 180.03 1hkx h GLN 348 N 0.68 0.18 -0.18 3.15 5.75 -1.25 -0.15 115.11 123.30 1hkx h GLN 348 Ca 0.09 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1hkx h GLN 348 Cb 0.78 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 1hkx h GLN 348 CO 0.06 0.43 0.11 1.49 -2.65 0.00 0.00 178.83 178.27 1hkx h GLU 349 N 0.17 0.24 -0.65 1.69 4.57 -0.55 -0.31 114.58 119.73 1hkx h GLU 349 Ca 0.03 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1hkx h GLU 349 Cb 0.54 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1hkx h GLU 349 CO 0.04 0.20 0.08 0.82 -1.18 0.00 0.00 179.01 178.97 1hkx h ILE 350 N 0.21 1.26 -0.32 2.32 5.03 -0.65 -2.43 117.51 122.94 1hkx h ILE 350 Ca 0.06 -1.06 -0.05 0.00 -0.12 0.00 0.00 64.86 63.70 1hkx h ILE 350 Cb 0.02 0.67 -0.02 0.00 -3.03 0.00 0.00 36.82 34.46 1hkx h ILE 350 CO -0.01 0.39 -0.00 0.40 -0.68 0.00 0.00 178.15 178.25 1hkx h ILE 351 N 1.01 1.19 -0.23 -0.67 2.04 -0.69 -1.83 117.51 118.33 1hkx h ILE 351 Ca 0.20 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 1hkx h ILE 351 Cb 0.46 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1hkx h ILE 351 CO 0.02 0.26 -0.12 0.50 0.00 0.00 0.00 178.15 178.80 1hkx h LYS 352 N 0.48 0.49 -0.19 2.37 3.64 -0.64 -1.44 116.57 121.28 1hkx h LYS 352 Ca 0.10 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1hkx h LYS 352 Cb 0.32 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1hkx h LYS 352 CO 0.01 0.77 -0.25 -0.39 -2.27 0.00 0.00 179.45 177.32 1hkx h VAL 353 N 0.20 1.25 -0.45 2.00 -1.51 -1.30 0.48 116.25 116.92 1hkx h VAL 353 Ca 0.05 -1.17 -0.07 0.00 -1.23 0.00 0.00 66.70 64.27 1hkx h VAL 353 Cb 0.63 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 1hkx h VAL 353 CO 0.04 0.36 0.00 0.74 -1.23 0.00 0.00 177.57 177.48 1hkx h THR 354 N 0.31 1.26 -0.70 7.19 2.02 -1.23 0.25 112.91 122.00 1hkx h THR 354 Ca 0.05 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 1hkx h THR 354 Cb 0.60 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1hkx h THR 354 CO 0.04 0.36 0.27 -0.33 0.37 0.00 0.00 175.52 176.24 1hkx h GLU 355 N 0.65 1.05 -0.45 6.66 5.08 -0.85 -0.13 114.58 126.58 1hkx h GLU 355 Ca 0.13 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1hkx h GLU 355 Cb 0.50 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1hkx h GLU 355 CO 0.02 0.87 0.17 1.96 -1.00 0.00 0.00 179.01 181.03 1hkx h GLN 356 N 1.00 0.68 -0.05 2.33 4.20 -0.52 -0.60 115.11 122.15 1hkx h GLN 356 Ca 0.23 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1hkx h GLN 356 Cb 0.22 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1hkx h GLN 356 CO -0.02 0.64 -0.01 1.25 -0.67 0.00 0.00 178.83 180.02 1hkx h LEU 357 N 0.59 -0.03 -1.25 1.46 5.85 -0.16 -1.08 115.31 120.68 1hkx h LEU 357 Ca 0.15 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1hkx h LEU 357 Cb 0.22 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1hkx h LEU 357 CO -0.01 -0.01 0.51 0.40 -0.34 0.00 0.00 178.44 179.00 1hkx h ILE 358 N 0.01 1.16 -0.47 4.05 2.04 -0.80 -0.89 117.51 122.61 1hkx h ILE 358 Ca 0.02 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 1hkx h ILE 358 Cb 0.03 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1hkx h ILE 358 CO -0.05 0.18 0.07 -0.33 0.00 0.00 0.00 178.15 178.03 1hkx h GLU 359 N 1.01 0.78 -0.32 2.37 5.08 -0.60 0.27 114.58 123.16 1hkx h GLU 359 Ca 0.30 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1hkx h GLU 359 Cb -0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1hkx h GLU 359 CO -0.08 0.79 0.21 0.00 -1.00 0.00 0.00 179.01 178.93 1hkx h ALA 360 N 0.95 0.41 -0.01 3.43 0.00 -0.59 0.73 119.26 124.19 1hkx h ALA 360 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1hkx h ALA 360 Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1hkx h ALA 360 CO 0.01 -0.12 -0.01 0.82 0.00 0.00 0.00 179.25 179.95 1hkx h ILE 361 N 0.43 0.98 -0.02 0.00 2.04 -0.91 -0.87 117.51 119.15 1hkx h ILE 361 Ca 0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1hkx h ILE 361 Cb -0.03 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1hkx h ILE 361 CO -0.02 0.00 0.02 -1.28 0.00 0.00 0.00 178.15 176.86 1hkx h SER 362 N -0.01 0.00 -0.66 1.72 0.87 -0.02 -1.36 113.55 114.09 1hkx h SER 362 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1hkx h SER 362 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1hkx h SER 362 CO -0.01 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.88 1hkx n ASN 363 N -4.23 3.79 -1.92 6.23 3.02 0.21 -4.80 115.26 117.57 1hkx n ASN 363 Ca -0.03 -2.00 -0.20 0.00 -0.03 0.00 0.00 54.58 52.32 1hkx n ASN 363 Cb 0.11 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 1hkx n ASN 363 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hkx n GLY 364 N 1.63 0.79 3.49 7.41 0.00 -0.51 -4.88 105.19 113.10 1hkx n GLY 364 Ca 0.23 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 1hkx n GLY 364 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hkx s ASP 365 N -2.45 6.90 0.45 1.61 3.68 -0.40 -4.85 116.67 121.62 1hkx s ASP 365 Ca 0.00 -2.61 0.11 0.00 2.13 0.00 0.00 52.55 52.19 1hkx s ASP 365 Cb 0.00 -2.44 1.00 0.00 -1.45 0.00 0.00 42.92 40.03 1hkx s ASP 365 CO 0.00 -0.93 2.05 0.15 0.13 0.00 0.00 175.17 176.57 1hkx h PHE 366 N 7.75 0.22 0.19 -5.34 3.57 -1.91 -2.44 116.94 118.99 1hkx h PHE 366 Ca 0.30 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1hkx h PHE 366 Cb 0.91 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1hkx h PHE 366 CO 1.18 0.21 -0.09 0.93 -2.23 0.00 0.00 178.31 178.31 1hkx h GLU 367 N 0.23 -0.25 -0.84 1.11 3.07 -1.97 -0.46 114.58 115.46 1hkx h GLU 367 Ca 0.06 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1hkx h GLU 367 Cb 0.10 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 1hkx h GLU 367 CO -0.00 -0.09 0.51 0.77 -1.40 0.00 0.00 179.01 178.80 1hkx h SER 368 N -0.37 1.01 0.49 1.42 0.02 -1.94 -1.97 113.55 112.21 1hkx h SER 368 Ca -0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1hkx h SER 368 Cb 0.28 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1hkx h SER 368 CO 0.04 0.77 -0.36 0.22 -1.14 0.00 0.00 176.83 176.36 1hkx h TYR 369 N 1.16 -0.97 -0.63 3.45 3.20 -1.11 -2.14 116.97 119.92 1hkx h TYR 369 Ca 0.30 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1hkx h TYR 369 Cb -0.05 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1hkx h TYR 369 CO 0.00 -0.53 0.42 1.79 -1.64 0.00 0.00 178.16 178.20 1hkx h THR 370 N -0.84 0.99 -0.22 1.81 1.35 -0.90 0.14 112.91 115.26 1hkx h THR 370 Ca -0.05 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1hkx h THR 370 Cb 0.71 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 1hkx h THR 370 CO 0.01 0.11 0.14 0.50 -0.25 0.00 0.00 175.52 176.04 1hkx h LYS 371 N 0.61 0.27 -0.01 4.72 3.11 -0.91 -1.93 116.57 122.43 1hkx h LYS 371 Ca 0.27 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1hkx h LYS 371 Cb 0.30 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1hkx h LYS 371 CO -0.08 0.18 -0.25 -1.33 -2.81 0.00 0.00 179.45 175.16 1hkx n MET 372 N -4.51 1.11 -4.62 1.90 2.81 0.45 -4.91 117.12 109.35 1hkx n MET 372 Ca 0.00 -0.74 -0.33 0.00 -1.81 0.00 0.00 57.70 54.82 1hkx n MET 372 Cb 0.08 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 1hkx n MET 372 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1hkx s ASP 374 N -1.07 7.16 0.42 0.00 3.68 -0.33 -4.80 116.67 121.73 1hkx s ASP 374 Ca 0.14 2.27 0.16 0.00 2.13 0.00 0.00 52.55 57.25 1hkx s ASP 374 Cb -0.11 -2.62 1.04 0.00 -1.45 0.00 0.00 42.92 39.78 1hkx s ASP 374 CO 0.04 -0.22 1.88 -0.65 0.13 0.00 0.00 175.17 176.35 1hkx h PRO 375 N 3.60 0.43 -0.98 4.34 0.11 -1.91 -0.00 132.00 137.59 1hkx h PRO 375 Ca -0.47 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.27 1hkx h PRO 375 Cb 1.21 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 32.02 1hkx h PRO 375 CO 0.66 0.28 0.44 0.41 -0.21 0.00 0.00 178.00 179.59 1hkx n GLY 376 N -1.51 3.71 3.76 -0.55 0.00 -1.26 -4.12 105.19 105.22 1hkx n GLY 376 Ca 0.17 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1hkx n GLY 376 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hkx n MET 377 N -0.61 2.57 -4.30 1.61 0.00 -0.02 -4.68 117.12 111.69 1hkx n MET 377 Ca 0.41 0.90 -0.29 0.00 0.00 0.00 0.00 57.70 58.72 1hkx n MET 377 Cb 1.32 -2.61 -0.11 0.00 0.00 0.00 0.00 33.22 31.82 1hkx n MET 377 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1hkx s THR 378 N -1.11 2.90 -0.08 1.12 2.01 -0.76 -0.60 115.64 119.11 1hkx s THR 378 Ca 0.54 -1.47 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 1hkx s THR 378 Cb -0.49 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 69.74 1hkx s THR 378 CO 0.64 0.11 0.53 0.00 -0.69 0.00 0.00 174.62 175.20 1hkx s ALA 379 N -1.15 -1.35 -0.14 7.40 0.00 -0.05 -1.87 121.76 124.61 1hkx s ALA 379 Ca 0.18 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.23 1hkx s ALA 379 Cb -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1hkx s ALA 379 CO 0.10 -0.31 -0.18 -0.06 0.00 0.00 0.00 175.76 175.32 1hkx s PHE 380 N -0.82 2.37 -0.00 0.00 2.99 -0.45 -0.98 117.98 121.09 1hkx s PHE 380 Ca -0.09 -1.24 -0.29 0.00 0.00 0.00 0.00 56.93 55.32 1hkx s PHE 380 Cb -0.03 -1.67 0.08 0.00 0.00 0.00 0.00 43.02 41.40 1hkx s PHE 380 CO 0.06 -0.61 0.69 -1.83 -0.00 0.00 0.00 175.22 173.53 1hkx s GLU 381 N 1.07 1.07 0.32 0.44 -1.05 -1.26 -0.31 118.70 118.98 1hkx s GLU 381 Ca -0.03 0.04 0.11 0.00 -0.15 0.00 0.00 54.97 54.94 1hkx s GLU 381 Cb -0.14 0.50 0.94 0.00 -0.44 0.00 0.00 34.13 34.98 1hkx s GLU 381 CO -0.05 -0.38 1.70 -1.35 0.95 0.00 0.00 175.26 176.13 1hkx h PRO 382 N 2.66 0.46 0.00 -4.83 0.11 -1.88 0.15 132.00 128.67 1hkx h PRO 382 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1hkx h PRO 382 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1hkx h PRO 382 CO 0.38 0.30 0.00 0.93 -0.21 0.00 0.00 178.00 179.40 1hkx h GLU 383 N 0.47 0.00 -0.37 1.05 3.07 -1.95 -2.16 114.58 114.70 1hkx h GLU 383 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1hkx h GLU 383 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1hkx h GLU 383 CO -0.53 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.08 1hkx n ALA 384 N -1.99 2.45 -4.09 3.43 0.00 0.53 -4.98 120.51 115.86 1hkx n ALA 384 Ca -0.01 -0.77 -0.29 0.00 0.00 0.00 0.00 53.44 52.37 1hkx n ALA 384 Cb 0.16 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1hkx n ALA 384 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hkx n LEU 385 N 0.82 -1.86 0.00 0.00 4.77 -0.81 -1.23 117.00 118.70 1hkx n LEU 385 Ca 0.17 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1hkx n LEU 385 Cb 0.41 -2.07 0.00 0.00 -2.33 0.00 0.00 43.42 39.44 1hkx n LEU 385 CO 0.12 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1hkx n GLY 386 N -1.96 0.90 3.89 -0.72 0.00 -1.26 -5.03 105.19 101.01 1hkx n GLY 386 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1hkx n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hkx s ASN 387 N -2.90 6.22 -0.27 1.61 0.01 -0.36 -5.07 114.94 114.18 1hkx s ASN 387 Ca 0.00 0.26 -0.23 0.00 -0.71 0.00 0.00 52.86 52.18 1hkx s ASN 387 Cb 0.00 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 1hkx s ASN 387 CO 0.00 0.21 0.75 -0.22 -1.51 0.00 0.00 177.10 176.33 1hkx s LEU 388 N -2.21 4.08 0.02 0.60 0.20 -1.26 -4.63 118.68 115.48 1hkx s LEU 388 Ca 0.30 0.80 -0.01 0.00 0.69 0.00 0.00 54.13 55.91 1hkx s LEU 388 Cb -0.13 -3.04 -0.04 0.00 -0.43 0.00 0.00 46.19 42.55 1hkx s LEU 388 CO 0.23 -0.50 0.20 -0.69 -0.29 0.00 0.00 176.35 175.29 1hkx s VAL 389 N 2.77 5.41 0.15 1.68 1.01 -0.15 -4.91 120.40 126.36 1hkx s VAL 389 Ca 0.31 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1hkx s VAL 389 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1hkx s VAL 389 CO 0.09 0.23 -0.22 -1.61 0.00 0.00 0.00 175.10 173.60 1hkx s GLU 390 N -2.22 1.61 0.13 2.72 2.02 -1.26 -0.87 118.70 120.83 1hkx s GLU 390 Ca 0.31 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1hkx s GLU 390 Cb -0.13 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1hkx s GLU 390 CO 0.23 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1hkx n GLY 391 N 0.58 -1.68 0.00 -1.39 0.00 0.23 -4.57 105.19 98.36 1hkx n GLY 391 Ca -0.15 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1hkx n GLY 391 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hkx n LEU 392 N -2.37 0.82 -0.29 0.99 4.32 -1.26 -4.40 117.00 114.81 1hkx n LEU 392 Ca -0.00 -0.32 0.08 0.00 -0.02 0.00 0.00 56.01 55.74 1hkx n LEU 392 Cb 0.22 -0.08 0.23 0.00 -1.62 0.00 0.00 43.42 42.17 1hkx n LEU 392 CO 0.01 0.20 1.07 -0.78 -1.22 0.00 0.00 177.39 176.66 1hkx h ASP 393 N 0.00 0.42 0.35 -1.43 3.58 -1.96 -0.97 116.42 116.41 1hkx h ASP 393 Ca 0.00 0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 1hkx h ASP 393 Cb 0.52 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1hkx h ASP 393 CO 0.00 0.15 -0.32 0.15 -2.88 0.00 0.00 179.24 176.34 1hkx h PHE 394 N 0.53 0.00 0.00 0.28 3.04 -1.81 -3.08 116.94 115.90 1hkx h PHE 394 Ca 0.47 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 62.18 1hkx h PHE 394 Cb 0.72 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 1hkx h PHE 394 CO -0.12 0.32 -1.21 0.45 -2.02 0.00 0.00 178.31 175.72 1hkx h HIS 395 N 0.00 0.01 -1.07 0.41 -0.00 -1.49 -3.33 115.15 109.68 1hkx h HIS 395 Ca -0.00 -0.01 0.33 0.00 -0.00 0.00 0.00 60.37 60.69 1hkx h HIS 395 Cb 0.58 -0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.86 1hkx h HIS 395 CO 0.00 1.01 0.65 -0.09 -0.00 0.00 0.00 177.93 179.50 1hkx h ARG 396 N 0.00 0.30 -0.67 2.45 2.43 -1.26 0.25 114.38 117.88 1hkx h ARG 396 Ca -0.09 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1hkx h ARG 396 Cb 1.85 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 31.27 1hkx h ARG 396 CO 0.12 0.20 0.34 0.35 -1.51 0.00 0.00 179.97 179.46 1hkx h PHE 397 N 0.30 0.62 0.00 2.20 3.57 -1.72 0.55 116.94 122.47 1hkx h PHE 397 Ca 0.72 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.25 1hkx h PHE 397 Cb 1.80 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1hkx h PHE 397 CO -0.01 0.26 0.00 0.66 -2.23 0.00 0.00 178.31 176.99 1hkx n TYR 398 N -4.84 0.00 -0.13 0.41 4.02 0.07 -1.59 117.16 115.10 1hkx n TYR 398 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.74 1hkx n TYR 398 Cb 0.22 -0.20 -0.10 0.00 -0.02 0.00 0.00 39.34 39.24 1hkx n TYR 398 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1hkx n PHE 399 N -1.20 0.00 0.28 -0.72 3.01 -0.53 -3.98 117.46 114.32 1hkx n PHE 399 Ca 0.15 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.76 1hkx n PHE 399 Cb 0.18 -0.93 0.51 0.00 -0.01 0.00 0.00 39.48 39.23 1hkx n PHE 399 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1hkx h GLU 400 N -0.65 0.00 -0.48 -1.08 4.57 -0.97 -3.12 114.58 112.85 1hkx h GLU 400 Ca -0.62 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.23 1hkx h GLU 400 Cb 1.65 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 30.00 1hkx h GLU 400 CO -0.31 0.00 -0.48 0.09 -1.18 0.00 0.00 179.01 177.14 1hkx n ASN 401 N -3.01 3.73 -2.84 1.04 3.02 -0.62 -4.66 115.26 111.92 1hkx n ASN 401 Ca 0.02 -3.81 -0.11 0.00 -0.03 0.00 0.00 54.58 50.65 1hkx n ASN 401 Cb 0.37 -0.49 0.05 0.00 -0.61 0.00 0.00 39.78 39.10 1hkx n ASN 401 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hkx n LEU 402 N -0.92 -0.91 0.01 3.41 4.77 -1.18 -4.90 117.00 117.28 1hkx n LEU 402 Ca 0.36 -4.03 0.13 0.00 -0.03 0.00 0.00 56.01 52.44 1hkx n LEU 402 Cb 0.88 0.65 0.42 0.00 -2.33 0.00 0.00 43.42 43.03 1hkx n LEU 402 CO 0.26 2.04 0.70 0.79 -1.33 0.00 0.00 177.39 179.85 1hkx n TRP 403 N 0.11 0.10 0.49 -1.77 5.03 -1.26 -3.17 117.44 116.97 1hkx n TRP 403 Ca 0.10 0.03 0.12 0.00 3.03 0.00 0.00 57.50 60.78 1hkx n TRP 403 Cb 0.73 -0.43 0.46 0.00 -1.03 0.00 0.00 31.31 31.04 1hkx n TRP 403 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 1hkx n SER 404 N -1.59 0.73 0.00 -0.99 7.64 -1.26 -2.21 113.62 115.94 1hkx n SER 404 Ca 0.06 0.63 0.04 0.00 1.01 0.00 0.00 58.87 60.61 1hkx n SER 404 Cb 0.35 -0.80 0.22 0.00 -1.01 0.00 0.00 64.21 62.96 1hkx n SER 404 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hkx n ARG 405 N -2.25 0.16 -0.04 1.43 1.74 -1.19 -0.79 116.66 115.72 1hkx n ARG 405 Ca 0.04 0.14 0.04 0.00 -0.77 0.00 0.00 57.85 57.30 1hkx n ARG 405 Cb 0.31 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1hkx n ARG 405 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1hkx n ASN 406 N -1.19 2.04 -0.10 0.55 3.02 -0.94 -4.63 115.26 114.02 1hkx n ASN 406 Ca 0.05 -1.56 -0.11 0.00 -0.03 0.00 0.00 54.58 52.93 1hkx n ASN 406 Cb 0.05 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1hkx n ASN 406 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1hkx n SER 407 N 0.43 0.80 -4.34 6.41 7.64 0.03 -4.99 113.62 119.59 1hkx n SER 407 Ca 0.06 -0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.63 1hkx n SER 407 Cb 0.27 0.65 -0.14 0.00 -1.01 0.00 0.00 64.21 63.98 1hkx n SER 407 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1hkx s LYS 408 N -2.46 1.58 0.28 1.43 0.00 -1.22 -5.11 119.74 114.24 1hkx s LYS 408 Ca -0.15 -1.17 -0.30 0.00 0.00 0.00 0.00 55.97 54.35 1hkx s LYS 408 Cb 0.06 -1.86 -0.12 0.00 0.00 0.00 0.00 37.83 35.92 1hkx s LYS 408 CO 0.72 0.47 1.64 -2.14 0.00 0.00 0.00 175.35 176.03 1hkx s PRO 409 N -1.53 4.11 -0.12 1.78 0.02 -1.26 -4.91 135.00 133.09 1hkx s PRO 409 Ca 0.12 2.61 -0.01 0.00 0.02 0.00 0.00 61.00 63.74 1hkx s PRO 409 Cb -0.10 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.42 1hkx s PRO 409 CO 0.03 -0.68 -0.07 0.14 -0.33 0.00 0.00 177.00 176.10 1hkx s VAL 410 N 0.28 1.00 -0.12 3.83 -7.23 -1.26 -4.39 120.40 112.50 1hkx s VAL 410 Ca 0.66 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 60.50 1hkx s VAL 410 Cb -0.49 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1hkx s VAL 410 CO 0.45 0.31 -0.11 -2.28 -0.31 0.00 0.00 175.10 173.16 1hkx s HIS 411 N 1.71 2.86 0.00 2.82 2.46 -0.74 -4.99 115.29 119.41 1hkx s HIS 411 Ca 0.04 -0.48 0.06 0.00 0.47 0.00 0.00 55.06 55.16 1hkx s HIS 411 Cb -0.13 -1.84 -0.03 0.00 -0.13 0.00 0.00 32.58 30.45 1hkx s HIS 411 CO -0.08 -0.10 -0.19 0.99 -2.47 0.00 0.00 174.74 172.89 1hkx s THR 412 N 0.18 2.69 -0.04 0.89 2.01 -1.26 -0.88 115.64 119.23 1hkx s THR 412 Ca -0.06 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.93 1hkx s THR 412 Cb -0.15 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1hkx s THR 412 CO 0.04 0.46 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.42 1hkx s THR 413 N -0.80 1.10 -0.32 -0.82 2.01 -0.02 -5.00 115.64 111.79 1hkx s THR 413 Ca 0.13 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1hkx s THR 413 Cb -0.10 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.45 1hkx s THR 413 CO 0.02 0.33 0.13 -0.63 -0.69 0.00 0.00 174.62 173.79 1hkx s ILE 414 N 0.18 4.24 0.05 1.82 1.01 -1.26 -1.21 121.20 126.03 1hkx s ILE 414 Ca -0.05 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1hkx s ILE 414 Cb -0.11 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1hkx s ILE 414 CO 0.02 -0.04 0.05 -0.76 0.00 0.00 0.00 174.94 174.21 1hkx s LEU 415 N 1.52 3.72 -1.47 2.97 1.43 -0.12 -4.69 118.68 122.04 1hkx s LEU 415 Ca 0.02 -0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1hkx s LEU 415 Cb -0.18 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1hkx s LEU 415 CO 0.04 0.21 0.22 -3.20 0.23 0.00 0.00 176.35 173.86 1hkx n ASN 416 N 0.78 0.29 -4.74 2.29 5.15 -1.26 -1.80 115.26 115.96 1hkx n ASN 416 Ca -0.11 -1.13 -0.38 0.00 -0.60 0.00 0.00 54.58 52.36 1hkx n ASN 416 Cb 0.52 -2.38 0.05 0.00 -0.53 0.00 0.00 39.78 37.43 1hkx n ASN 416 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1hkx s PRO 417 N -6.93 2.95 -0.12 1.20 0.02 -1.26 -4.68 135.00 126.17 1hkx s PRO 417 Ca 0.00 2.16 -0.04 0.00 0.02 0.00 0.00 61.00 63.14 1hkx s PRO 417 Cb -0.00 -2.11 0.06 0.00 0.02 0.00 0.00 34.50 32.47 1hkx s PRO 417 CO 0.94 -1.32 0.17 -1.01 -0.33 0.00 0.00 177.00 175.45 1hkx s HIS 418 N -1.35 -0.18 -0.01 6.54 3.76 -0.57 -5.00 115.29 118.48 1hkx s HIS 418 Ca 0.75 0.49 0.01 0.00 -0.15 0.00 0.00 55.06 56.16 1hkx s HIS 418 Cb -0.39 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 1hkx s HIS 418 CO 0.44 -0.36 0.02 0.42 -0.85 0.00 0.00 174.74 174.41 1hkx s ILE 419 N 2.30 4.29 -0.16 0.60 1.09 -1.26 -1.48 121.20 126.56 1hkx s ILE 419 Ca 0.04 -0.52 0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1hkx s ILE 419 Cb -0.13 -2.91 0.03 0.00 -1.06 0.00 0.00 42.46 38.39 1hkx s ILE 419 CO -0.07 0.40 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.02 1hkx s HIS 420 N -1.08 2.33 -0.06 3.97 3.76 0.87 -4.98 115.29 120.09 1hkx s HIS 420 Ca 0.19 -1.37 -0.15 0.00 -0.15 0.00 0.00 55.06 53.59 1hkx s HIS 420 Cb -0.12 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1hkx s HIS 420 CO 0.10 -0.71 0.39 -0.51 -0.85 0.00 0.00 174.74 173.16 1hkx s LEU 421 N 1.43 4.39 -0.37 0.89 1.43 -1.26 -0.94 118.68 124.26 1hkx s LEU 421 Ca 0.04 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1hkx s LEU 421 Cb -0.13 -2.55 0.14 0.00 0.03 0.00 0.00 46.19 43.68 1hkx s LEU 421 CO -0.11 0.22 0.22 -0.04 0.23 0.00 0.00 176.35 176.87 1hkx s MET 422 N -0.43 0.67 0.00 1.70 -1.94 0.66 -5.00 119.30 114.96 1hkx s MET 422 Ca 0.22 -1.44 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 1hkx s MET 422 Cb -0.15 -1.47 0.00 0.00 2.01 0.00 0.00 34.83 35.22 1hkx s MET 422 CO 0.11 -1.20 0.00 0.41 -0.01 0.00 0.00 175.02 174.32 1hkx n GLY 423 N 3.95 -1.48 0.02 -0.03 0.00 -1.26 -3.02 105.19 103.37 1hkx n GLY 423 Ca 0.12 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.73 1hkx n GLY 423 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hkx n ASP 424 N -1.54 0.37 -0.32 1.61 8.00 -1.26 -3.82 116.55 119.58 1hkx n ASP 424 Ca 0.00 0.13 0.03 0.00 0.71 0.00 0.00 54.79 55.66 1hkx n ASP 424 Cb 0.00 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1hkx n ASP 424 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hkx n GLU 425 N -1.64 1.62 -3.88 -1.24 -0.58 -1.26 -4.90 120.64 108.77 1hkx n GLU 425 Ca 0.06 -1.42 -0.20 0.00 -0.42 0.00 0.00 57.16 55.18 1hkx n GLU 425 Cb 0.36 -1.14 -0.17 0.00 -0.57 0.00 0.00 31.44 29.92 1hkx n GLU 425 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1hkx s SER 426 N -0.80 1.03 0.08 1.62 0.15 -1.17 -0.00 113.70 114.61 1hkx s SER 426 Ca 0.11 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.72 1hkx s SER 426 Cb 0.06 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1hkx s SER 426 CO 0.09 -0.15 -0.05 0.00 1.20 0.00 0.00 173.24 174.33 1hkx s ALA 427 N 1.50 0.77 -0.04 5.45 0.00 -0.45 -0.24 121.76 128.75 1hkx s ALA 427 Ca -0.03 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1hkx s ALA 427 Cb -0.13 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1hkx s ALA 427 CO -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 175.76 175.50 1hkx s ILE 429 N 1.58 1.54 -0.07 0.00 2.07 -0.70 -0.09 121.20 125.52 1hkx s ILE 429 Ca -0.02 -0.76 0.03 0.00 -1.41 0.00 0.00 60.65 58.48 1hkx s ILE 429 Cb -0.13 -1.33 0.01 0.00 0.13 0.00 0.00 42.46 41.14 1hkx s ILE 429 CO -0.03 0.44 -0.16 0.00 -1.91 0.00 0.00 174.94 173.28 1hkx s ALA 430 N 0.14 1.53 0.22 1.50 0.00 -0.55 -0.81 121.76 123.78 1hkx s ALA 430 Ca -0.07 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1hkx s ALA 430 Cb -0.13 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1hkx s ALA 430 CO 0.03 0.17 0.53 1.52 0.00 0.00 0.00 175.76 178.02 1hkx s TYR 431 N 0.53 -0.00 -0.14 0.00 -0.85 -0.50 -1.51 117.35 114.88 1hkx s TYR 431 Ca -0.15 -0.36 -0.16 0.00 -0.52 0.00 0.00 57.07 55.88 1hkx s TYR 431 Cb -0.16 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 1hkx s TYR 431 CO 0.05 -0.96 0.38 0.42 -1.52 0.00 0.00 175.55 173.92 1hkx s ILE 432 N -3.91 5.25 -0.29 -3.49 -1.09 -0.75 -0.98 121.20 115.94 1hkx s ILE 432 Ca 0.13 0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 59.22 1hkx s ILE 432 Cb -0.01 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1hkx s ILE 432 CO 0.01 0.36 0.08 -0.60 -1.23 0.00 0.00 174.94 173.56 1hkx s ARG 433 N 0.51 3.13 -0.18 2.79 3.52 0.13 -0.94 118.95 127.91 1hkx s ARG 433 Ca 0.21 -0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1hkx s ARG 433 Cb -0.14 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1hkx s ARG 433 CO 0.07 -0.43 -0.01 0.42 -0.81 0.00 0.00 175.30 174.54 1hkx s ILE 434 N 1.51 4.01 -0.13 4.11 1.01 -0.35 -1.66 121.20 129.71 1hkx s ILE 434 Ca 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1hkx s ILE 434 Cb -0.17 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 1hkx s ILE 434 CO 0.03 0.46 -0.19 -0.89 0.00 0.00 0.00 174.94 174.35 1hkx s THR 435 N 0.65 2.47 -0.26 2.92 2.01 -0.27 -0.84 115.64 122.31 1hkx s THR 435 Ca -0.01 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 1hkx s THR 435 Cb -0.14 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1hkx s THR 435 CO 0.02 0.54 0.05 -1.10 -0.69 0.00 0.00 174.62 173.44 1hkx s GLN 436 N 0.51 3.34 0.19 4.92 -0.21 -0.06 -1.26 119.66 127.09 1hkx s GLN 436 Ca -0.12 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.58 1hkx s GLN 436 Cb -0.17 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 1hkx s GLN 436 CO 0.05 -0.30 0.07 1.52 -2.12 0.00 0.00 175.29 174.51 1hkx s TYR 437 N 1.53 1.20 0.00 0.91 -0.85 -0.77 -1.79 117.35 117.57 1hkx s TYR 437 Ca 0.05 -1.21 0.00 0.00 -0.52 0.00 0.00 57.07 55.39 1hkx s TYR 437 Cb -0.16 -0.66 0.00 0.00 0.38 0.00 0.00 41.96 41.52 1hkx s TYR 437 CO 0.01 -0.43 0.00 1.28 -1.52 0.00 0.00 175.55 174.89 1hkx n LEU 438 N -0.27 0.00 0.00 -3.49 4.77 -1.26 -0.58 117.00 116.17 1hkx n LEU 438 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1hkx n LEU 438 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1hkx n LEU 438 CO 0.34 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.73 1hkx n ASP 439 N 0.00 -2.87 0.00 -1.43 2.03 -1.07 -4.53 116.55 108.68 1hkx n ASP 439 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hkx n ASP 439 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hkx n ALA 440 N 0.40 0.00 0.00 -1.67 0.00 -1.26 -1.31 120.51 116.67 1hkx n ALA 440 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hkx n ALA 440 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1hkx n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hkx n GLY 441 N -2.91 1.05 2.51 0.00 0.00 -1.26 -4.67 105.19 99.91 1hkx n GLY 441 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1hkx n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkx n GLY 442 N 0.00 1.58 3.78 -0.02 0.00 -1.22 -4.97 105.19 104.33 1hkx n GLY 442 Ca 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1hkx n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hkx s ILE 443 N -2.53 4.37 -0.15 -0.61 1.01 -0.43 -4.39 121.20 118.48 1hkx s ILE 443 Ca 0.00 1.70 -0.26 0.00 0.00 0.00 0.00 60.65 62.09 1hkx s ILE 443 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1hkx s ILE 443 CO 0.00 0.52 0.85 -2.84 0.00 0.00 0.00 174.94 173.47 1hkx s PRO 444 N -1.13 4.32 0.11 2.79 0.02 -1.26 -2.61 135.00 137.24 1hkx s PRO 444 Ca 0.36 1.07 0.02 0.00 0.02 0.00 0.00 61.00 62.47 1hkx s PRO 444 Cb -0.23 -3.56 -0.04 0.00 0.02 0.00 0.00 34.50 30.69 1hkx s PRO 444 CO 0.26 -0.30 -0.07 1.03 -0.33 0.00 0.00 177.00 177.59 1hkx s ARG 445 N 2.04 0.87 -0.04 5.54 0.52 0.25 -5.00 118.95 123.13 1hkx s ARG 445 Ca 0.40 -1.33 0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1hkx s ARG 445 Cb -0.17 -0.31 -0.00 0.00 0.52 0.00 0.00 34.95 34.99 1hkx s ARG 445 CO 0.14 0.01 -0.18 0.99 0.02 0.00 0.00 175.30 176.27 1hkx s THR 446 N -3.44 1.50 0.04 0.02 2.01 -1.26 -1.86 115.64 112.65 1hkx s THR 446 Ca 0.12 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.45 1hkx s THR 446 Cb 0.04 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1hkx s THR 446 CO -0.03 0.43 -0.26 0.00 -0.69 0.00 0.00 174.62 174.07 1hkx s ALA 447 N 0.00 2.21 0.05 7.40 0.00 -0.39 -4.98 121.76 126.06 1hkx s ALA 447 Ca -0.04 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 50.76 1hkx s ALA 447 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1hkx s ALA 447 CO 0.02 0.52 -0.22 -1.14 0.00 0.00 0.00 175.76 174.95 1hkx s GLN 448 N -1.19 1.43 -0.14 0.00 0.74 -1.26 -1.12 119.66 118.12 1hkx s GLN 448 Ca 0.11 -1.01 -0.20 0.00 0.05 0.00 0.00 55.36 54.30 1hkx s GLN 448 Cb -0.10 -1.59 0.05 0.00 1.10 0.00 0.00 33.01 32.47 1hkx s GLN 448 CO 0.02 0.40 0.53 -1.54 -0.55 0.00 0.00 175.29 174.15 1hkx s SER 449 N -1.32 -0.52 -0.16 6.67 1.04 -0.66 -2.97 113.70 115.78 1hkx s SER 449 Ca 0.08 0.84 -0.16 0.00 0.48 0.00 0.00 55.95 57.19 1hkx s SER 449 Cb -0.09 0.85 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 1hkx s SER 449 CO 0.02 -0.32 0.41 -1.61 0.98 0.00 0.00 173.24 172.73 1hkx s GLU 450 N -0.29 4.26 0.04 4.02 8.01 0.20 0.22 118.70 135.16 1hkx s GLU 450 Ca -0.05 0.28 0.06 0.00 0.01 0.00 0.00 54.97 55.28 1hkx s GLU 450 Cb -0.03 -3.47 -0.02 0.00 -4.31 0.00 0.00 34.13 26.29 1hkx s GLU 450 CO 0.03 0.10 -0.18 -1.21 0.01 0.00 0.00 175.26 174.01 1hkx s GLU 451 N 0.86 1.21 -0.08 1.61 2.02 -0.15 -0.97 118.70 123.19 1hkx s GLU 451 Ca 0.21 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1hkx s GLU 451 Cb -0.14 -1.27 0.01 0.00 0.10 0.00 0.00 34.13 32.83 1hkx s GLU 451 CO 0.08 0.32 -0.14 0.99 0.02 0.00 0.00 175.26 176.53 1hkx s THR 452 N -0.78 1.34 -0.09 3.63 2.01 -0.27 -1.41 115.64 120.07 1hkx s THR 452 Ca 0.05 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1hkx s THR 452 Cb -0.08 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1hkx s THR 452 CO 0.01 0.40 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.04 1hkx s ARG 453 N 0.76 2.45 -0.26 4.92 1.81 0.01 -1.12 118.95 127.51 1hkx s ARG 453 Ca -0.12 -0.66 -0.07 0.00 -1.72 0.00 0.00 55.73 53.16 1hkx s ARG 453 Cb -0.16 -1.94 -0.01 0.00 -0.45 0.00 0.00 34.95 32.38 1hkx s ARG 453 CO 0.02 0.06 0.07 0.08 -0.68 0.00 0.00 175.30 174.86 1hkx s VAL 454 N 0.62 4.14 -0.11 3.52 1.01 0.68 -1.73 120.40 128.53 1hkx s VAL 454 Ca -0.14 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1hkx s VAL 454 Cb -0.16 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1hkx s VAL 454 CO 0.04 0.26 0.08 0.26 0.00 0.00 0.00 175.10 175.74 1hkx s TRP 455 N 1.57 3.39 -0.05 5.22 0.52 0.29 -0.49 118.94 129.39 1hkx s TRP 455 Ca 0.05 0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.55 1hkx s TRP 455 Cb -0.16 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 1hkx s TRP 455 CO 0.03 0.60 -0.05 -1.58 0.02 0.00 0.00 176.95 175.97 1hkx s HIS 456 N -0.92 0.82 -0.31 -1.98 2.46 0.02 -1.34 115.29 114.04 1hkx s HIS 456 Ca 0.14 -0.25 -0.28 0.00 0.47 0.00 0.00 55.06 55.14 1hkx s HIS 456 Cb -0.12 -0.73 0.01 0.00 -0.13 0.00 0.00 32.58 31.62 1hkx s HIS 456 CO 0.03 -0.22 1.03 0.50 -2.47 0.00 0.00 174.74 173.60 1hkx s ARG 457 N 1.03 4.07 -0.13 2.88 6.06 1.00 -0.89 118.95 132.98 1hkx s ARG 457 Ca -0.09 1.03 0.00 0.00 -2.50 0.00 0.00 55.73 54.17 1hkx s ARG 457 Cb -0.14 -3.72 0.02 0.00 0.06 0.00 0.00 34.95 31.17 1hkx s ARG 457 CO -0.00 -0.83 -0.12 0.50 -2.50 0.00 0.00 175.30 172.34 1hkx s ARG 458 N 3.48 2.01 -1.54 5.12 3.52 -0.60 -4.82 118.95 126.13 1hkx s ARG 458 Ca 0.43 -0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.51 1hkx s ARG 458 Cb -0.13 -1.88 0.06 0.00 -1.56 0.00 0.00 34.95 31.44 1hkx s ARG 458 CO 0.14 -0.21 0.49 -0.25 -0.81 0.00 0.00 175.30 174.65 1hkx n ASP 459 N 4.71 -1.16 0.00 -2.12 8.00 -1.26 -2.42 116.55 122.30 1hkx n ASP 459 Ca -0.16 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1hkx n ASP 459 Cb 0.50 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 1hkx n ASP 459 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hkx n GLY 460 N -1.86 2.98 3.83 0.44 0.00 -1.26 -5.04 105.19 104.28 1hkx n GLY 460 Ca -0.18 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1hkx n GLY 460 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hkx s LYS 461 N 0.00 3.16 0.22 1.61 -2.85 -1.02 -5.06 119.74 115.79 1hkx s LYS 461 Ca 0.00 -0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 54.15 1hkx s LYS 461 Cb 0.00 -2.90 -0.08 0.00 -2.06 0.00 0.00 37.83 32.79 1hkx s LYS 461 CO 0.00 0.61 1.06 -1.58 0.10 0.00 0.00 175.35 175.55 1hkx s TRP 462 N -1.36 3.68 0.03 1.78 0.52 -1.26 -1.55 118.94 120.77 1hkx s TRP 462 Ca 0.29 1.70 0.03 0.00 0.02 0.00 0.00 56.10 58.14 1hkx s TRP 462 Cb -0.12 -3.21 -0.02 0.00 -1.15 0.00 0.00 33.47 28.97 1hkx s TRP 462 CO 0.21 -0.34 -0.10 -0.65 0.02 0.00 0.00 176.95 176.09 1hkx s GLN 463 N -0.83 0.66 -0.01 4.98 -0.21 -0.07 -4.77 119.66 119.42 1hkx s GLN 463 Ca 0.46 -0.61 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 1hkx s GLN 463 Cb -0.29 -0.58 -0.03 0.00 1.00 0.00 0.00 33.01 33.11 1hkx s GLN 463 CO 0.36 0.14 0.99 0.42 -2.12 0.00 0.00 175.29 175.08 1hkx s ILE 464 N -0.84 4.83 -0.07 1.08 1.01 0.87 -0.80 121.20 127.28 1hkx s ILE 464 Ca -0.02 2.04 0.16 0.00 0.00 0.00 0.00 60.65 62.83 1hkx s ILE 464 Cb -0.07 -4.31 -0.25 0.00 0.01 0.00 0.00 42.46 37.85 1hkx s ILE 464 CO 0.01 0.14 0.27 0.55 0.00 0.00 0.00 174.94 175.91 1hkx n VAL 465 N 3.96 0.37 -3.59 2.92 3.14 0.35 -1.18 118.33 124.30 1hkx n VAL 465 Ca 0.06 -0.49 -0.11 0.00 -2.96 0.00 0.00 64.34 60.83 1hkx n VAL 465 Cb 0.51 -0.12 -0.06 0.00 -1.06 0.00 0.00 33.84 33.10 1hkx n VAL 465 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1hkx s HIS 466 N -2.94 -0.48 0.00 1.45 5.65 -1.22 -1.83 115.29 115.92 1hkx s HIS 466 Ca -0.07 0.99 -0.09 0.00 0.25 0.00 0.00 55.06 56.15 1hkx s HIS 466 Cb 0.09 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.89 1hkx s HIS 466 CO 0.70 -0.34 0.18 -0.59 -0.65 0.00 0.00 174.74 174.04 1hkx s PHE 467 N -0.53 -0.00 -0.09 3.88 -0.12 -0.78 -0.23 117.98 120.11 1hkx s PHE 467 Ca -0.01 -0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.79 1hkx s PHE 467 Cb -0.02 -0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.38 1hkx s PHE 467 CO 0.00 -0.32 -0.02 -1.58 -0.05 0.00 0.00 175.22 173.25 1hkx s HIS 468 N -1.45 0.90 -0.15 3.49 2.46 -0.28 -1.34 115.29 118.92 1hkx s HIS 468 Ca -0.14 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.05 1hkx s HIS 468 Cb -0.07 -0.93 -0.00 0.00 -0.13 0.00 0.00 32.58 31.45 1hkx s HIS 468 CO 0.02 -0.39 -0.15 0.50 -2.47 0.00 0.00 174.74 172.25 1hkx s ARG 469 N 1.90 3.22 -0.04 2.88 3.52 0.57 -1.12 118.95 129.87 1hkx s ARG 469 Ca 0.05 -0.75 0.05 0.00 -0.13 0.00 0.00 55.73 54.94 1hkx s ARG 469 Cb -0.12 -2.62 -0.00 0.00 -1.56 0.00 0.00 34.95 30.64 1hkx s ARG 469 CO -0.06 0.02 -0.18 -1.54 -0.81 0.00 0.00 175.30 172.73 1hkx s SER 470 N 0.80 2.27 0.00 -2.12 1.04 -0.15 -3.90 113.70 111.65 1hkx s SER 470 Ca -0.05 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1hkx s SER 470 Cb -0.15 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1hkx s SER 470 CO 0.00 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1hkx n GLY 471 N 3.10 0.30 0.29 7.32 0.00 -1.26 -0.63 105.19 114.32 1hkx n GLY 471 Ca -0.18 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1hkx n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hkx n ALA 472 N -1.00 2.21 0.00 4.61 0.00 -1.16 -4.82 120.51 120.36 1hkx n ALA 472 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hkx n ALA 472 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hkx n ALA 472 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1hkx n PRO 473 N -1.31 0.00 0.00 0.00 -0.02 -1.26 -4.88 135.00 127.53 1hkx n PRO 473 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1hkx n PRO 473 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1hkx n PRO 473 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hkx n SER 474 N 0.00 0.00 0.00 2.55 3.41 -1.26 -5.03 113.62 113.29 1hkx n SER 474 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1hkx n SER 474 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1hkx n SER 474 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40