#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkx h ASP 342 N 0.00 0.00 0.70 4.31 2.03 -2.06 -0.34 116.42 121.06 1hkx h ASP 342 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1hkx h ASP 342 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1hkx h ASP 342 CO 0.00 0.00 -0.64 0.71 -1.03 0.00 0.00 179.24 178.28 1hkx h THR 343 N 0.00 1.42 0.00 1.15 1.35 -2.05 -3.06 112.91 111.72 1hkx h THR 343 Ca 0.00 -2.23 -0.08 0.00 -0.55 0.00 0.00 66.41 63.55 1hkx h THR 343 Cb 0.30 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1hkx h THR 343 CO 0.00 0.63 -0.38 0.11 -0.25 0.00 0.00 175.52 175.63 1hkx h LYS 344 N 0.00 0.00 0.09 4.72 1.57 -1.49 -1.44 116.57 120.03 1hkx h LYS 344 Ca -0.01 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1hkx h LYS 344 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1hkx h LYS 344 CO 0.08 0.38 -1.28 0.28 -0.57 0.00 0.00 179.45 178.35 1hkx h VAL 345 N 0.00 1.44 0.00 0.50 2.07 -1.61 -1.47 116.25 117.18 1hkx h VAL 345 Ca -0.00 -3.07 -0.11 0.00 0.82 0.00 0.00 66.70 64.34 1hkx h VAL 345 Cb 0.74 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1hkx h VAL 345 CO 0.05 0.88 -0.52 -0.09 0.02 0.00 0.00 177.57 177.90 1hkx h ARG 346 N 0.05 0.00 0.01 1.57 2.43 -1.43 -1.24 114.38 115.78 1hkx h ARG 346 Ca -0.14 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1hkx h ARG 346 Cb 1.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1hkx h ARG 346 CO 0.17 0.52 -0.10 0.87 -1.51 0.00 0.00 179.97 179.92 1hkx h LYS 347 N 0.00 0.04 -0.71 0.20 1.57 -1.31 -2.93 116.57 113.43 1hkx h LYS 347 Ca -0.01 -0.06 0.20 0.00 -1.87 0.00 0.00 60.65 58.91 1hkx h LYS 347 Cb 1.25 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 1hkx h LYS 347 CO 0.07 0.98 0.50 0.37 -0.57 0.00 0.00 179.45 180.80 1hkx h GLN 348 N -0.86 0.05 0.42 3.15 5.75 -1.25 0.26 115.11 122.63 1hkx h GLN 348 Ca -0.02 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1hkx h GLN 348 Cb 1.03 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 1hkx h GLN 348 CO 0.02 0.03 -0.34 1.49 -2.65 0.00 0.00 178.83 177.38 1hkx h GLU 349 N 0.05 -0.71 -0.90 1.69 4.22 -1.13 -1.51 114.58 116.29 1hkx h GLU 349 Ca 0.34 0.05 0.19 0.00 0.08 0.00 0.00 59.36 60.02 1hkx h GLU 349 Cb 1.28 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 30.58 1hkx h GLU 349 CO -0.02 -0.47 0.45 0.82 -2.18 0.00 0.00 179.01 177.60 1hkx h ILE 350 N -0.74 0.59 -0.89 2.32 1.08 -0.37 0.41 117.51 119.91 1hkx h ILE 350 Ca -0.05 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.29 1hkx h ILE 350 Cb 0.62 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.32 1hkx h ILE 350 CO 0.00 0.10 0.56 0.40 -0.69 0.00 0.00 178.15 178.52 1hkx h ILE 351 N 0.53 1.06 0.04 -0.67 2.04 -0.78 -0.69 117.51 119.04 1hkx h ILE 351 Ca 0.53 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 66.06 1hkx h ILE 351 Cb 0.92 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1hkx h ILE 351 CO -0.45 0.19 -0.12 0.50 0.00 0.00 0.00 178.15 178.27 1hkx h LYS 352 N 1.03 -0.22 -0.07 2.37 1.63 0.85 0.11 116.57 122.27 1hkx h LYS 352 Ca 0.38 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 60.12 1hkx h LYS 352 Cb 0.15 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1hkx h LYS 352 CO -0.17 -0.14 -0.30 -0.39 -3.45 0.00 0.00 179.45 175.00 1hkx h VAL 353 N -0.22 1.24 -0.05 2.00 -1.51 -1.13 0.59 116.25 117.17 1hkx h VAL 353 Ca 0.03 -1.15 -0.01 0.00 -1.23 0.00 0.00 66.70 64.34 1hkx h VAL 353 Cb 0.26 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1hkx h VAL 353 CO -0.09 0.34 -0.02 0.74 -1.23 0.00 0.00 177.57 177.31 1hkx h THR 354 N 0.12 1.31 -0.38 7.19 2.02 -0.66 0.40 112.91 122.91 1hkx h THR 354 Ca 0.02 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.22 1hkx h THR 354 Cb 0.59 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 1hkx h THR 354 CO 0.04 0.27 0.25 -0.33 0.37 0.00 0.00 175.52 176.12 1hkx h GLU 355 N -0.27 0.49 -0.38 6.66 5.08 -0.51 0.71 114.58 126.36 1hkx h GLU 355 Ca 0.01 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1hkx h GLU 355 Cb 0.44 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1hkx h GLU 355 CO 0.01 0.32 -0.00 1.96 -1.00 0.00 0.00 179.01 180.30 1hkx h GLN 356 N 0.50 0.10 0.30 2.33 4.20 0.38 0.14 115.11 123.05 1hkx h GLN 356 Ca 0.14 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1hkx h GLN 356 Cb -0.04 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1hkx h GLN 356 CO -0.04 0.07 -0.38 1.25 -0.67 0.00 0.00 178.83 179.05 1hkx h LEU 357 N 0.10 -1.06 -1.25 1.46 5.85 0.67 -1.82 115.31 119.25 1hkx h LEU 357 Ca 0.19 0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.11 1hkx h LEU 357 Cb 0.26 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1hkx h LEU 357 CO -0.32 -0.51 0.56 0.40 -0.34 0.00 0.00 178.44 178.24 1hkx h ILE 358 N -0.73 0.94 -0.19 4.05 2.04 -0.56 -1.48 117.51 121.58 1hkx h ILE 358 Ca -0.01 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1hkx h ILE 358 Cb 0.68 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1hkx h ILE 358 CO -0.12 0.15 -0.15 -0.08 0.00 0.00 0.00 178.15 177.95 1hkx h GLU 359 N 0.81 -0.15 -0.54 2.37 4.81 0.07 -1.87 114.58 120.07 1hkx h GLU 359 Ca 0.41 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1hkx h GLU 359 Cb 0.48 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1hkx h GLU 359 CO -0.17 -0.10 0.22 0.00 -0.73 0.00 0.00 179.01 178.22 1hkx h ALA 360 N 0.96 1.36 0.31 2.92 0.00 -0.55 -2.34 119.26 121.91 1hkx h ALA 360 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hkx h ALA 360 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1hkx h ALA 360 CO -0.28 0.48 -0.39 0.82 0.00 0.00 0.00 179.25 179.88 1hkx h ILE 361 N 0.78 0.00 0.00 0.00 1.08 -0.65 -2.23 117.51 116.48 1hkx h ILE 361 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1hkx h ILE 361 Cb 0.15 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.90 1hkx h ILE 361 CO -0.02 0.00 0.04 0.28 -0.69 0.00 0.00 178.15 177.76 1hkx h SER 362 N -0.71 0.00 -0.23 1.72 0.02 -1.19 -1.64 113.55 111.52 1hkx h SER 362 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1hkx h SER 362 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1hkx h SER 362 CO -0.09 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.19 1hkx n ASN 363 N -2.49 3.08 0.00 3.07 4.13 -0.88 -4.79 115.26 117.38 1hkx n ASN 363 Ca -0.02 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.29 1hkx n ASN 363 Cb 0.08 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1hkx n ASN 363 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hkx n GLY 364 N 1.41 0.23 3.57 7.41 0.00 -0.62 -4.89 105.19 112.31 1hkx n GLY 364 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.14 6.13 0.25 1.61 3.68 -0.98 -4.79 116.67 120.44 1hkx s ASP 365 Ca 0.00 -1.51 0.09 0.00 2.13 0.00 0.00 52.55 53.26 1hkx s ASP 365 Cb 0.00 -2.57 0.28 0.00 -1.45 0.00 0.00 42.92 39.18 1hkx s ASP 365 CO 0.00 -1.86 1.57 0.15 0.13 0.00 0.00 175.17 175.15 1hkx h PHE 366 N 9.65 0.05 -0.55 -5.34 3.57 -1.90 -2.85 116.94 119.57 1hkx h PHE 366 Ca 0.23 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1hkx h PHE 366 Cb 0.97 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1hkx h PHE 366 CO 1.29 0.69 0.13 0.93 -2.23 0.00 0.00 178.31 179.11 1hkx h GLU 367 N 0.03 0.88 -0.20 1.11 3.07 -1.97 0.20 114.58 117.69 1hkx h GLU 367 Ca -0.01 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.50 1hkx h GLU 367 Cb 1.17 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1hkx h GLU 367 CO 0.09 0.83 -0.46 0.77 -1.40 0.00 0.00 179.01 178.84 1hkx h SER 368 N 0.77 0.53 0.68 1.42 0.02 -1.96 -2.47 113.55 112.54 1hkx h SER 368 Ca 0.17 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1hkx h SER 368 Cb 0.35 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1hkx h SER 368 CO 0.00 0.92 -0.34 0.22 -1.14 0.00 0.00 176.83 176.49 1hkx h TYR 369 N 0.40 -0.88 -0.87 3.45 3.20 -1.19 -2.38 116.97 118.69 1hkx h TYR 369 Ca 0.03 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.00 1hkx h TYR 369 Cb 0.96 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 39.44 1hkx h TYR 369 CO 0.03 -0.54 0.50 1.79 -1.64 0.00 0.00 178.16 178.30 1hkx h THR 370 N -0.93 0.84 -0.85 1.81 1.35 -0.58 0.25 112.91 114.81 1hkx h THR 370 Ca -0.09 -0.27 0.10 0.00 -0.55 0.00 0.00 66.41 65.60 1hkx h THR 370 Cb 0.72 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.07 1hkx h THR 370 CO 0.14 0.14 0.49 0.11 -0.25 0.00 0.00 175.52 176.15 1hkx h LYS 371 N 0.77 0.79 0.00 4.72 1.79 -1.23 -0.11 116.57 123.30 1hkx h LYS 371 Ca 0.45 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1hkx h LYS 371 Cb 0.51 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1hkx h LYS 371 CO -0.29 0.52 0.00 -1.33 -1.08 0.00 0.00 179.45 177.27 1hkx n MET 372 N -4.73 0.54 -4.77 3.15 2.81 -0.01 -4.83 117.12 109.28 1hkx n MET 372 Ca 0.14 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.70 1hkx n MET 372 Cb 0.29 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.49 7.04 0.65 0.00 -1.08 -0.65 -4.85 116.67 117.30 1hkx s ASP 374 Ca 0.07 1.90 0.19 0.00 -0.52 0.00 0.00 52.55 54.19 1hkx s ASP 374 Cb -0.12 -2.56 1.04 0.00 -1.46 0.00 0.00 42.92 39.82 1hkx s ASP 374 CO 0.02 -0.57 1.58 -0.65 0.52 0.00 0.00 175.17 176.07 1hkx h PRO 375 N 7.32 0.00 -0.65 4.34 0.11 -1.90 1.23 132.00 142.46 1hkx h PRO 375 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1hkx h PRO 375 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1hkx h PRO 375 CO 0.86 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 1hkx n GLY 376 N -1.31 2.80 3.47 -0.55 0.00 -1.26 -4.40 105.19 103.93 1hkx n GLY 376 Ca -0.01 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 1.05 0.60 -4.22 1.61 0.00 0.42 -4.65 117.12 111.94 1hkx n MET 377 Ca 0.27 0.23 -0.18 0.00 0.00 0.00 0.00 57.70 58.02 1hkx n MET 377 Cb 0.98 -1.65 -0.11 0.00 0.00 0.00 0.00 33.22 32.43 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 -1.60 1.27 -0.17 1.12 2.01 -1.00 -0.14 115.64 117.14 1hkx s THR 378 Ca 0.66 -1.64 -0.23 0.00 0.31 0.00 0.00 61.69 60.79 1hkx s THR 378 Cb -0.51 -1.44 0.06 0.00 0.01 0.00 0.00 72.50 70.62 1hkx s THR 378 CO 0.56 -0.39 0.61 0.00 -0.69 0.00 0.00 174.62 174.72 1hkx s ALA 379 N -1.99 -1.54 -0.22 7.40 0.00 -0.23 -2.53 121.76 122.65 1hkx s ALA 379 Ca 0.07 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.58 1hkx s ALA 379 Cb -0.06 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.43 1hkx s ALA 379 CO 0.03 -0.31 -0.14 -0.06 0.00 0.00 0.00 175.76 175.27 1hkx s PHE 380 N -0.19 2.97 -0.04 0.00 2.99 -0.96 -1.57 117.98 121.18 1hkx s PHE 380 Ca -0.04 -1.97 -0.23 0.00 0.00 0.00 0.00 56.93 54.69 1hkx s PHE 380 Cb -0.03 -1.88 0.05 0.00 0.00 0.00 0.00 43.02 41.15 1hkx s PHE 380 CO 0.03 -0.83 0.50 -1.83 -0.00 0.00 0.00 175.22 173.09 1hkx s GLU 381 N 1.21 0.86 0.34 0.44 -1.05 -1.26 -0.55 118.70 118.69 1hkx s GLU 381 Ca -0.03 0.07 0.12 0.00 -0.15 0.00 0.00 54.97 54.99 1hkx s GLU 381 Cb -0.17 0.40 1.06 0.00 -0.44 0.00 0.00 34.13 34.98 1hkx s GLU 381 CO -0.08 -0.25 1.61 -1.35 0.95 0.00 0.00 175.26 176.13 1hkx h PRO 382 N 3.50 0.11 -0.33 -4.83 0.11 -1.89 0.29 132.00 128.95 1hkx h PRO 382 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1hkx h PRO 382 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1hkx h PRO 382 CO 0.39 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.63 1hkx n GLU 383 N -5.26 0.76 0.00 1.05 4.71 -1.26 -1.99 120.64 118.65 1hkx n GLU 383 Ca 0.31 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.47 1hkx n GLU 383 Cb 1.01 -1.17 0.01 0.00 -1.01 0.00 0.00 31.44 30.28 1hkx n GLU 383 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1hkx n ALA 384 N -0.23 2.48 -3.88 0.62 0.00 0.10 -5.03 120.51 114.58 1hkx n ALA 384 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 1hkx n ALA 384 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 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 0.05 -2.48 0.00 0.00 4.77 -0.84 -1.57 117.00 116.94 1hkx n LEU 385 Ca 0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1hkx n LEU 385 Cb 0.06 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 1hkx n LEU 385 CO 0.02 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1hkx n GLY 386 N -1.87 0.73 3.76 -0.72 0.00 -1.26 -5.03 105.19 100.81 1hkx n GLY 386 Ca -0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.53 5.47 -0.38 1.61 0.01 -0.61 -5.07 114.94 113.44 1hkx s ASN 387 Ca 0.00 -0.02 -0.22 0.00 -0.71 0.00 0.00 52.86 51.91 1hkx s ASN 387 Cb 0.00 -1.46 0.01 0.00 0.41 0.00 0.00 41.25 40.21 1hkx s ASN 387 CO 0.00 0.19 0.72 -0.22 -1.51 0.00 0.00 177.10 176.27 1hkx s LEU 388 N -2.29 4.22 0.23 0.60 2.96 -1.26 -4.63 118.68 118.50 1hkx s LEU 388 Ca 0.28 0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 1hkx s LEU 388 Cb -0.12 -2.91 -0.07 0.00 0.50 0.00 0.00 46.19 43.59 1hkx s LEU 388 CO 0.20 -0.71 0.56 0.68 -1.32 0.00 0.00 176.35 175.76 1hkx s VAL 389 N 2.96 4.92 -0.08 1.68 -7.23 -0.61 -4.87 120.40 117.16 1hkx s VAL 389 Ca 0.28 0.51 0.03 0.00 -1.81 0.00 0.00 61.98 61.00 1hkx s VAL 389 Cb -0.14 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.19 1hkx s VAL 389 CO 0.17 -0.06 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.01 1hkx s GLU 390 N -2.77 2.46 0.00 4.82 2.12 -1.26 -1.07 118.70 123.00 1hkx s GLU 390 Ca 0.47 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1hkx s GLU 390 Cb -0.11 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1hkx s GLU 390 CO 0.21 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 1hkx n GLY 391 N 3.57 -3.38 0.01 -1.50 0.00 0.80 -4.71 105.19 99.98 1hkx n GLY 391 Ca -0.20 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 0.00 0.35 -0.24 0.99 4.32 -1.26 -4.46 117.00 116.69 1hkx n LEU 392 Ca 0.00 -0.18 0.04 0.00 -0.02 0.00 0.00 56.01 55.85 1hkx n LEU 392 Cb 0.00 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 41.95 1hkx n LEU 392 CO 0.00 0.09 0.87 -0.78 -1.22 0.00 0.00 177.39 176.34 1hkx h ASP 393 N 0.00 -0.20 0.40 -1.43 -0.00 -1.97 0.37 116.42 113.60 1hkx h ASP 393 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 1hkx h ASP 393 Cb 0.80 0.27 0.00 0.00 -0.00 0.00 0.00 39.33 40.41 1hkx h ASP 393 CO 0.00 -0.11 0.00 0.33 -0.00 0.00 0.00 179.24 179.46 1hkx n PHE 394 N -5.26 0.62 0.04 0.28 -0.00 -1.26 -3.03 117.46 108.84 1hkx n PHE 394 Ca 0.13 0.28 0.09 0.00 -0.00 0.00 0.00 57.45 57.94 1hkx n PHE 394 Cb 0.44 -0.94 -0.09 0.00 -0.00 0.00 0.00 39.48 38.89 1hkx n PHE 394 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1hkx n HIS 395 N -2.10 0.51 -0.11 -5.13 8.25 0.13 -4.38 115.22 112.39 1hkx n HIS 395 Ca 0.01 0.15 -0.05 0.00 -0.26 0.00 0.00 57.72 57.57 1hkx n HIS 395 Cb 0.14 -0.79 0.03 0.00 1.12 0.00 0.00 29.99 30.49 1hkx n HIS 395 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hkx h ARG 396 N 0.00 0.17 -1.17 -0.41 3.08 -1.44 -2.38 114.38 112.24 1hkx h ARG 396 Ca -0.05 -0.01 0.42 0.00 0.07 0.00 0.00 59.98 60.40 1hkx h ARG 396 Cb 1.15 -0.04 -0.15 0.00 0.08 0.00 0.00 29.97 31.01 1hkx h ARG 396 CO 0.01 0.11 0.70 0.35 -1.07 0.00 0.00 179.97 180.08 1hkx h PHE 397 N 0.18 0.69 0.00 3.04 3.57 -1.77 1.21 116.94 123.86 1hkx h PHE 397 Ca 0.19 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1hkx h PHE 397 Cb 0.23 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1hkx h PHE 397 CO -0.21 -0.30 -0.76 1.88 -2.23 0.00 0.00 178.31 176.68 1hkx h TYR 398 N 0.09 0.00 0.09 0.41 -1.99 -1.70 -0.56 116.97 113.31 1hkx h TYR 398 Ca 0.82 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.55 1hkx h TYR 398 Cb 2.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.08 1hkx h TYR 398 CO -0.01 0.36 -0.04 0.74 -0.00 0.00 0.00 178.16 179.21 1hkx h PHE 399 N 0.00 -0.11 0.42 4.88 0.04 0.13 -3.32 116.94 118.98 1hkx h PHE 399 Ca -0.05 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1hkx h PHE 399 Cb 1.32 0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.51 1hkx h PHE 399 CO 0.00 0.39 -0.20 0.93 -0.60 0.00 0.00 178.31 178.83 1hkx h GLU 400 N -0.92 -0.54 -1.80 1.51 5.08 -0.17 -3.33 114.58 114.41 1hkx h GLU 400 Ca -0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1hkx h GLU 400 Cb 0.55 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1hkx h GLU 400 CO 0.02 -0.36 0.00 0.09 -1.00 0.00 0.00 179.01 177.76 1hkx n ASN 401 N -4.70 3.24 -2.65 1.42 4.13 -0.22 -4.03 115.26 112.46 1hkx n ASN 401 Ca -0.07 -1.81 -0.04 0.00 1.68 0.00 0.00 54.58 54.34 1hkx n ASN 401 Cb 0.22 -0.66 0.07 0.00 -1.54 0.00 0.00 39.78 37.87 1hkx n ASN 401 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1hkx n LEU 402 N 1.37 -1.05 -2.14 3.41 0.00 -1.25 -4.86 117.00 112.48 1hkx n LEU 402 Ca 0.00 -1.26 -0.24 0.00 0.00 0.00 0.00 56.01 54.51 1hkx n LEU 402 Cb 0.35 0.51 0.16 0.00 0.00 0.00 0.00 43.42 44.44 1hkx n LEU 402 CO 0.00 1.37 1.24 0.79 0.00 0.00 0.00 177.39 180.79 1hkx n TRP 403 N 1.79 2.90 -1.00 1.96 7.02 -1.26 -4.73 117.44 124.13 1hkx n TRP 403 Ca 0.03 -2.03 -0.22 0.00 -1.02 0.00 0.00 57.50 54.26 1hkx n TRP 403 Cb 0.70 -0.98 -0.09 0.00 -2.42 0.00 0.00 31.31 28.53 1hkx n TRP 403 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1hkx n SER 404 N -1.10 6.09 -0.07 -0.99 7.64 -1.26 -4.26 113.62 119.67 1hkx n SER 404 Ca 0.58 -2.42 -0.08 0.00 1.01 0.00 0.00 58.87 57.96 1hkx n SER 404 Cb 1.43 -1.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 1hkx n SER 404 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1hkx h ARG 405 N 4.39 0.00 -0.65 1.43 2.47 -1.85 -2.88 114.38 117.29 1hkx h ARG 405 Ca 0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 1hkx h ARG 405 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1hkx h ARG 405 CO 0.97 0.42 0.00 0.09 0.56 0.00 0.00 179.97 182.01 1hkx n ASN 406 N -4.66 1.74 -0.10 7.04 4.13 -1.26 -3.17 115.26 118.98 1hkx n ASN 406 Ca -0.08 -2.15 -0.17 0.00 1.68 0.00 0.00 54.58 53.86 1hkx n ASN 406 Cb 0.27 -0.40 -0.09 0.00 -1.54 0.00 0.00 39.78 38.02 1hkx n ASN 406 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1hkx n SER 407 N 0.11 2.14 -4.49 6.41 7.64 -1.24 -5.04 113.62 119.15 1hkx n SER 407 Ca 0.06 0.01 -0.24 0.00 1.01 0.00 0.00 58.87 59.71 1hkx n SER 407 Cb 0.37 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.40 1.73 -1.03 1.43 -2.85 -1.09 -5.05 119.74 110.48 1hkx s LYS 408 Ca -0.28 -1.77 -0.21 0.00 -1.00 0.00 0.00 55.97 52.71 1hkx s LYS 408 Cb 0.08 -1.79 0.07 0.00 -2.06 0.00 0.00 37.83 34.14 1hkx s LYS 408 CO 0.44 0.31 1.40 -2.14 0.10 0.00 0.00 175.35 175.46 1hkx s PRO 409 N -3.53 3.65 -0.97 1.78 0.02 -1.26 -4.75 135.00 129.94 1hkx s PRO 409 Ca 0.30 -1.40 -0.21 0.00 0.02 0.00 0.00 61.00 59.71 1hkx s PRO 409 Cb -0.04 -5.26 0.09 0.00 0.02 0.00 0.00 34.50 29.30 1hkx s PRO 409 CO 0.15 -2.10 1.30 0.14 -0.33 0.00 0.00 177.00 176.16 1hkx s VAL 410 N 4.26 4.28 -0.17 3.83 -7.23 -1.26 -4.02 120.40 120.09 1hkx s VAL 410 Ca 0.43 -1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1hkx s VAL 410 Cb -0.01 -4.93 0.01 0.00 0.56 0.00 0.00 36.38 32.01 1hkx s VAL 410 CO -0.08 -1.74 -0.16 -2.28 -0.31 0.00 0.00 175.10 170.54 1hkx s HIS 411 N 3.95 2.80 -0.04 2.82 5.04 -1.20 -5.04 115.29 123.62 1hkx s HIS 411 Ca 0.40 -1.27 0.01 0.00 -1.54 0.00 0.00 55.06 52.66 1hkx s HIS 411 Cb -0.03 -1.93 -0.03 0.00 0.04 0.00 0.00 32.58 30.63 1hkx s HIS 411 CO -0.09 -0.62 -0.05 0.99 -2.34 0.00 0.00 174.74 172.63 1hkx s THR 412 N 1.11 3.82 -0.10 0.89 2.01 -1.26 -2.31 115.64 119.80 1hkx s THR 412 Ca 0.00 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1hkx s THR 412 Cb -0.14 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.76 1hkx s THR 412 CO -0.05 0.51 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.31 1hkx s THR 413 N -0.91 1.67 -0.29 -0.82 2.01 0.26 -4.98 115.64 112.58 1hkx s THR 413 Ca 0.15 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 1hkx s THR 413 Cb -0.11 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1hkx s THR 413 CO 0.04 0.47 0.13 -0.63 -0.69 0.00 0.00 174.62 173.95 1hkx s ILE 414 N 0.66 4.63 0.11 1.82 1.01 -1.26 -1.39 121.20 126.78 1hkx s ILE 414 Ca -0.13 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.36 1hkx s ILE 414 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1hkx s ILE 414 CO 0.03 0.19 -0.14 -0.76 0.00 0.00 0.00 174.94 174.26 1hkx s LEU 415 N 1.64 2.85 -1.43 2.97 1.43 -0.76 -4.76 118.68 120.63 1hkx s LEU 415 Ca 0.06 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1hkx s LEU 415 Cb -0.16 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1hkx s LEU 415 CO 0.06 0.18 0.13 -3.20 0.23 0.00 0.00 176.35 173.74 1hkx n ASN 416 N 0.74 -0.01 -4.75 2.29 5.15 -1.26 -2.36 115.26 115.06 1hkx n ASN 416 Ca -0.15 -1.24 -0.41 0.00 -0.60 0.00 0.00 54.58 52.19 1hkx n ASN 416 Cb 0.53 -1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.21 1hkx n ASN 416 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1hkx s PRO 417 N -7.27 4.51 -0.08 1.20 0.04 -1.26 -4.64 135.00 127.50 1hkx s PRO 417 Ca 0.09 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1hkx s PRO 417 Cb -0.05 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1hkx s PRO 417 CO 0.96 -0.03 -0.17 -1.01 0.04 0.00 0.00 177.00 176.79 1hkx s HIS 418 N -0.54 1.92 -0.02 0.56 3.76 -0.32 -4.97 115.29 115.67 1hkx s HIS 418 Ca 0.50 -0.75 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 1hkx s HIS 418 Cb -0.34 -1.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 1hkx s HIS 418 CO 0.41 -0.33 -0.11 0.42 -0.85 0.00 0.00 174.74 174.27 1hkx s ILE 419 N 0.52 3.31 -0.26 0.60 1.01 -1.26 -1.29 121.20 123.82 1hkx s ILE 419 Ca -0.16 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1hkx s ILE 419 Cb -0.17 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.00 1hkx s ILE 419 CO 0.06 0.48 -0.06 -1.00 0.00 0.00 0.00 174.94 174.41 1hkx s HIS 420 N -0.87 2.88 -0.06 3.97 3.76 0.92 -4.97 115.29 120.92 1hkx s HIS 420 Ca 0.14 -2.12 -0.24 0.00 -0.15 0.00 0.00 55.06 52.69 1hkx s HIS 420 Cb -0.11 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 1hkx s HIS 420 CO 0.04 -0.84 0.74 -0.51 -0.85 0.00 0.00 174.74 173.32 1hkx s LEU 421 N 1.23 4.33 -0.50 0.89 1.43 -1.26 -1.24 118.68 123.55 1hkx s LEU 421 Ca -0.05 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1hkx s LEU 421 Cb -0.19 -3.15 0.15 0.00 0.03 0.00 0.00 46.19 43.03 1hkx s LEU 421 CO -0.07 -0.13 0.31 -0.04 0.23 0.00 0.00 176.35 176.65 1hkx s MET 422 N 0.81 1.55 0.18 1.70 -1.94 0.21 -5.00 119.30 116.80 1hkx s MET 422 Ca 0.39 -2.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.01 1hkx s MET 422 Cb -0.18 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1hkx s MET 422 CO 0.19 -1.22 0.00 0.41 -0.01 0.00 0.00 175.02 174.40 1hkx n GLY 423 N 3.06 -2.53 0.17 -0.03 0.00 -1.26 -3.30 105.19 101.30 1hkx n GLY 423 Ca 0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1hkx n GLY 423 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hkx h ASP 424 N 0.00 0.28 -0.29 1.61 1.82 -2.04 -3.33 116.42 114.47 1hkx h ASP 424 Ca 0.00 -0.16 -0.10 0.00 -0.39 0.00 0.00 57.03 56.38 1hkx h ASP 424 Cb 0.00 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 39.87 1hkx h ASP 424 CO 0.00 0.80 -0.05 -1.84 -1.61 0.00 0.00 179.24 176.54 1hkx n GLU 425 N -3.90 2.16 -3.71 0.28 0.28 -1.26 -4.92 120.64 109.57 1hkx n GLU 425 Ca -0.02 -3.02 -0.16 0.00 -0.16 0.00 0.00 57.16 53.80 1hkx n GLU 425 Cb 0.60 -1.80 -0.16 0.00 1.43 0.00 0.00 31.44 31.51 1hkx n GLU 425 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1hkx s SER 426 N -2.36 0.40 0.10 -1.84 0.15 -1.21 -1.10 113.70 107.83 1hkx s SER 426 Ca 0.43 0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.34 1hkx s SER 426 Cb 0.37 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1hkx s SER 426 CO 0.03 -0.19 -0.11 0.00 1.20 0.00 0.00 173.24 174.17 1hkx s ALA 427 N 1.66 1.15 -0.06 5.45 0.00 -0.23 0.66 121.76 130.39 1hkx s ALA 427 Ca -0.03 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.75 1hkx s ALA 427 Cb -0.12 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1hkx s ALA 427 CO -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 175.76 175.69 1hkx s ILE 429 N 1.59 1.55 -0.09 0.00 2.07 -0.11 -0.06 121.20 126.15 1hkx s ILE 429 Ca -0.01 -0.78 -0.00 0.00 -1.41 0.00 0.00 60.65 58.46 1hkx s ILE 429 Cb -0.13 -1.33 0.02 0.00 0.13 0.00 0.00 42.46 41.16 1hkx s ILE 429 CO -0.04 0.44 -0.06 0.00 -1.91 0.00 0.00 174.94 173.38 1hkx s ALA 430 N 0.04 1.10 0.21 1.50 0.00 -0.42 -0.45 121.76 123.75 1hkx s ALA 430 Ca -0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1hkx s ALA 430 Cb -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1hkx s ALA 430 CO 0.03 -0.32 0.30 1.52 0.00 0.00 0.00 175.76 177.28 1hkx s TYR 431 N 1.57 0.69 -0.14 0.00 -0.85 -0.00 -1.18 117.35 117.43 1hkx s TYR 431 Ca 0.01 -1.00 -0.15 0.00 -0.52 0.00 0.00 57.07 55.42 1hkx s TYR 431 Cb -0.13 -0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.01 1hkx s TYR 431 CO -0.05 -0.80 0.34 0.42 -1.52 0.00 0.00 175.55 173.94 1hkx s ILE 432 N -4.06 5.27 -0.23 -3.49 1.09 -0.99 -0.47 121.20 118.31 1hkx s ILE 432 Ca 0.28 0.66 -0.06 0.00 -1.10 0.00 0.00 60.65 60.43 1hkx s ILE 432 Cb 0.03 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.73 1hkx s ILE 432 CO 0.08 0.39 0.03 -0.60 -0.10 0.00 0.00 174.94 174.74 1hkx s ARG 433 N 0.41 3.60 -0.20 2.79 3.52 0.25 -1.82 118.95 127.50 1hkx s ARG 433 Ca 0.19 -0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1hkx s ARG 433 Cb -0.14 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1hkx s ARG 433 CO 0.06 -0.13 -0.06 0.42 -0.81 0.00 0.00 175.30 174.79 1hkx s ILE 434 N 1.40 3.38 -0.03 4.11 1.01 -0.48 -0.74 121.20 129.84 1hkx s ILE 434 Ca 0.05 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.26 1hkx s ILE 434 Cb -0.15 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1hkx s ILE 434 CO 0.02 0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 174.30 1hkx s THR 435 N 1.19 2.45 -0.19 2.92 2.01 -0.29 -0.58 115.64 123.15 1hkx s THR 435 Ca 0.02 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1hkx s THR 435 Cb -0.14 -1.90 0.04 0.00 0.01 0.00 0.00 72.50 70.50 1hkx s THR 435 CO -0.01 0.58 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.28 1hkx s GLN 436 N -0.61 2.23 0.00 4.92 -0.21 -0.98 -0.58 119.66 124.42 1hkx s GLN 436 Ca 0.09 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1hkx s GLN 436 Cb -0.11 -2.39 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1hkx s GLN 436 CO -0.00 -0.36 0.00 2.48 -2.12 0.00 0.00 175.29 175.29 1hkx n TYR 437 N 4.68 0.00 -4.12 0.91 -0.00 -1.07 -3.27 117.16 114.30 1hkx n TYR 437 Ca -0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.67 1hkx n TYR 437 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.79 1hkx n TYR 437 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1hkx n LEU 438 N 0.00 0.00 0.00 -3.48 4.77 -1.26 -3.24 117.00 113.79 1hkx n LEU 438 Ca 0.00 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1hkx n LEU 438 Cb 0.00 0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1hkx n LEU 438 CO 0.00 -0.19 0.00 -0.90 -1.33 0.00 0.00 177.39 174.97 1hkx n ASP 439 N -2.38 -2.25 -1.67 -1.43 5.75 -1.26 -4.60 116.55 108.71 1hkx n ASP 439 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.75 1hkx n ASP 439 Cb 0.22 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hkx n ALA 440 N 0.21 -0.41 0.00 2.12 0.00 -1.26 -1.17 120.51 120.00 1hkx n ALA 440 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1hkx n ALA 440 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.29 0.00 4.70 0.00 0.00 -1.26 -4.95 105.19 103.39 1hkx n GLY 441 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 3.88 -0.02 0.00 -0.31 -4.85 105.19 103.89 1hkx n GLY 442 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.46 4.92 -1.02 -0.61 1.01 -1.26 -4.27 121.20 119.51 1hkx s ILE 443 Ca 0.00 0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.81 1hkx s ILE 443 Cb 0.00 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1hkx s ILE 443 CO 0.00 -0.23 1.69 -2.84 0.00 0.00 0.00 174.94 173.56 1hkx s PRO 444 N -3.23 3.18 0.33 2.79 0.02 -1.26 -4.43 135.00 132.40 1hkx s PRO 444 Ca 0.47 -0.92 -0.02 0.00 0.02 0.00 0.00 61.00 60.56 1hkx s PRO 444 Cb -0.11 -5.26 -0.04 0.00 0.02 0.00 0.00 34.50 29.11 1hkx s PRO 444 CO 0.25 -2.76 0.56 1.03 -0.33 0.00 0.00 177.00 175.75 1hkx s ARG 445 N 5.74 3.54 -0.08 5.54 0.52 -1.20 -4.93 118.95 128.08 1hkx s ARG 445 Ca 0.57 -0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.66 1hkx s ARG 445 Cb -0.02 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1hkx s ARG 445 CO -0.03 0.15 -0.24 0.99 0.02 0.00 0.00 175.30 176.19 1hkx s THR 446 N -2.25 2.05 0.04 0.02 2.01 -1.26 -2.60 115.64 113.66 1hkx s THR 446 Ca 0.42 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.46 1hkx s THR 446 Cb -0.10 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1hkx s THR 446 CO 0.34 0.56 -0.22 0.00 -0.69 0.00 0.00 174.62 174.61 1hkx s ALA 447 N 0.10 1.90 0.09 7.40 0.00 0.25 -4.99 121.76 126.51 1hkx s ALA 447 Ca -0.12 -1.11 0.09 0.00 0.00 0.00 0.00 51.96 50.83 1hkx s ALA 447 Cb -0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1hkx s ALA 447 CO 0.06 0.44 -0.22 -1.14 0.00 0.00 0.00 175.76 174.90 1hkx s GLN 448 N -1.14 1.73 -0.22 0.00 0.74 -1.26 -1.14 119.66 118.36 1hkx s GLN 448 Ca 0.09 -1.18 -0.17 0.00 0.05 0.00 0.00 55.36 54.15 1hkx s GLN 448 Cb -0.09 -2.04 0.06 0.00 1.10 0.00 0.00 33.01 32.04 1hkx s GLN 448 CO 0.02 0.49 0.57 -1.54 -0.55 0.00 0.00 175.29 174.27 1hkx s SER 449 N -1.80 -0.65 -0.01 6.67 1.04 0.08 -4.16 113.70 114.87 1hkx s SER 449 Ca 0.15 1.18 -0.29 0.00 0.48 0.00 0.00 55.95 57.47 1hkx s SER 449 Cb -0.10 1.14 -0.03 0.00 0.10 0.00 0.00 66.02 67.13 1hkx s SER 449 CO 0.06 -0.21 0.92 -1.61 0.98 0.00 0.00 173.24 173.39 1hkx s GLU 450 N 0.77 4.54 -0.03 4.02 2.02 -0.06 0.84 118.70 130.80 1hkx s GLU 450 Ca -0.04 1.31 0.01 0.00 0.02 0.00 0.00 54.97 56.27 1hkx s GLU 450 Cb -0.05 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.74 1hkx s GLU 450 CO -0.06 -0.03 -0.03 -2.00 0.02 0.00 0.00 175.26 173.16 1hkx s GLU 451 N 0.97 0.63 -0.16 1.61 2.12 0.38 -0.45 118.70 123.79 1hkx s GLU 451 Ca 0.49 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.77 1hkx s GLU 451 Cb -0.20 -0.67 0.02 0.00 0.26 0.00 0.00 34.13 33.53 1hkx s GLU 451 CO 0.26 -0.06 -0.19 0.99 -0.54 0.00 0.00 175.26 175.71 1hkx s THR 452 N 0.78 1.96 -0.13 -1.70 2.01 -0.61 -0.82 115.64 117.13 1hkx s THR 452 Ca -0.10 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.04 1hkx s THR 452 Cb -0.13 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1hkx s THR 452 CO -0.00 0.53 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.10 1hkx s ARG 453 N 1.16 3.03 -0.31 4.92 1.81 0.40 -0.06 118.95 129.90 1hkx s ARG 453 Ca 0.01 -0.86 -0.08 0.00 -1.72 0.00 0.00 55.73 53.08 1hkx s ARG 453 Cb -0.14 -2.42 0.01 0.00 -0.45 0.00 0.00 34.95 31.95 1hkx s ARG 453 CO -0.09 0.01 0.12 0.08 -0.68 0.00 0.00 175.30 174.75 1hkx s VAL 454 N 0.75 4.28 0.14 3.52 1.01 0.54 -0.93 120.40 129.70 1hkx s VAL 454 Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1hkx s VAL 454 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1hkx s VAL 454 CO -0.00 0.02 0.27 0.26 0.00 0.00 0.00 175.10 175.65 1hkx s TRP 455 N 1.55 3.48 -0.19 5.22 0.52 0.17 -0.70 118.94 128.99 1hkx s TRP 455 Ca 0.03 0.13 -0.09 0.00 0.02 0.00 0.00 56.10 56.19 1hkx s TRP 455 Cb -0.17 -1.67 0.07 0.00 -1.15 0.00 0.00 33.47 30.55 1hkx s TRP 455 CO 0.04 0.53 0.43 -1.58 0.02 0.00 0.00 176.95 176.39 1hkx s HIS 456 N -1.71 -0.72 0.02 -1.98 5.65 -0.75 -1.07 115.29 114.73 1hkx s HIS 456 Ca 0.34 1.45 -0.29 0.00 0.25 0.00 0.00 55.06 56.81 1hkx s HIS 456 Cb -0.11 0.31 -0.04 0.00 -1.18 0.00 0.00 32.58 31.56 1hkx s HIS 456 CO 0.28 -0.42 0.95 0.50 -0.65 0.00 0.00 174.74 175.41 1hkx s ARG 457 N 1.95 4.58 -0.07 2.88 3.52 -0.26 -1.91 118.95 129.64 1hkx s ARG 457 Ca -0.06 1.39 0.01 0.00 -0.13 0.00 0.00 55.73 56.93 1hkx s ARG 457 Cb -0.10 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1hkx s ARG 457 CO -0.13 0.03 -0.08 0.50 -0.81 0.00 0.00 175.30 174.81 1hkx s ARG 458 N 0.73 1.34 -1.05 5.12 3.52 -0.12 -4.85 118.95 123.63 1hkx s ARG 458 Ca 0.50 -0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.81 1hkx s ARG 458 Cb -0.21 -1.28 0.04 0.00 -1.56 0.00 0.00 34.95 31.94 1hkx s ARG 458 CO 0.28 -0.11 0.11 -0.25 -0.81 0.00 0.00 175.30 174.51 1hkx n ASP 459 N 4.32 0.10 0.00 -2.12 8.00 -1.26 -1.61 116.55 123.98 1hkx n ASP 459 Ca -0.19 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1hkx n ASP 459 Cb 0.51 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.68 2.91 3.92 0.44 0.00 -1.26 -5.07 105.19 104.45 1hkx n GLY 460 Ca -0.13 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 3.55 0.19 1.61 -2.85 -0.63 -5.04 119.74 116.57 1hkx s LYS 461 Ca 0.00 -0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 54.68 1hkx s LYS 461 Cb 0.00 -2.62 -0.08 0.00 -2.06 0.00 0.00 37.83 33.07 1hkx s LYS 461 CO 0.00 0.13 0.64 -1.58 0.10 0.00 0.00 175.35 174.64 1hkx s TRP 462 N -2.27 3.62 0.02 1.78 0.52 -1.26 -0.94 118.94 120.40 1hkx s TRP 462 Ca 0.42 1.22 0.00 0.00 0.02 0.00 0.00 56.10 57.77 1hkx s TRP 462 Cb -0.10 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.71 1hkx s TRP 462 CO 0.35 0.37 -0.03 -0.65 0.02 0.00 0.00 176.95 177.01 1hkx s GLN 463 N -2.00 0.29 -0.01 4.98 -0.21 -0.80 -4.74 119.66 117.16 1hkx s GLN 463 Ca 0.41 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.96 1hkx s GLN 463 Cb -0.16 0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.86 1hkx s GLN 463 CO 0.20 -0.03 0.98 0.42 -2.12 0.00 0.00 175.29 174.74 1hkx s ILE 464 N -1.20 4.86 -0.04 1.08 1.01 0.42 -1.82 121.20 125.51 1hkx s ILE 464 Ca -0.12 2.05 0.17 0.00 0.00 0.00 0.00 60.65 62.74 1hkx s ILE 464 Cb -0.08 -4.32 -0.26 0.00 0.01 0.00 0.00 42.46 37.82 1hkx s ILE 464 CO -0.01 0.14 0.32 0.55 0.00 0.00 0.00 174.94 175.95 1hkx n VAL 465 N 3.98 0.17 -3.64 2.92 3.14 0.13 -1.63 118.33 123.40 1hkx n VAL 465 Ca 0.06 -0.44 -0.07 0.00 -2.96 0.00 0.00 64.34 60.94 1hkx n VAL 465 Cb 0.51 -0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.22 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 -3.06 -0.46 0.09 1.45 5.65 -1.22 -2.36 115.29 115.37 1hkx s HIS 466 Ca -0.07 1.06 0.04 0.00 0.25 0.00 0.00 55.06 56.34 1hkx s HIS 466 Cb 0.10 0.37 -0.03 0.00 -1.18 0.00 0.00 32.58 31.83 1hkx s HIS 466 CO 0.70 -0.22 -0.11 -0.59 -0.65 0.00 0.00 174.74 173.87 1hkx s PHE 467 N 0.53 1.07 -0.24 3.88 -0.12 -1.05 -0.34 117.98 121.71 1hkx s PHE 467 Ca 0.00 -0.61 -0.03 0.00 -0.05 0.00 0.00 56.93 56.23 1hkx s PHE 467 Cb -0.05 -0.59 0.08 0.00 -0.63 0.00 0.00 43.02 41.84 1hkx s PHE 467 CO -0.10 0.01 0.09 -1.58 -0.05 0.00 0.00 175.22 173.59 1hkx s HIS 468 N -2.21 0.79 -0.17 3.49 2.46 0.92 -2.25 115.29 118.31 1hkx s HIS 468 Ca 0.04 -0.94 -0.07 0.00 0.47 0.00 0.00 55.06 54.55 1hkx s HIS 468 Cb -0.04 -1.06 -0.04 0.00 -0.13 0.00 0.00 32.58 31.30 1hkx s HIS 468 CO 0.00 -0.71 0.07 0.50 -2.47 0.00 0.00 174.74 172.13 1hkx s ARG 469 N 1.94 3.92 0.09 2.88 3.52 0.28 -1.57 118.95 130.01 1hkx s ARG 469 Ca 0.05 -0.31 0.09 0.00 -0.13 0.00 0.00 55.73 55.42 1hkx s ARG 469 Cb -0.17 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1hkx s ARG 469 CO -0.21 0.34 -0.22 0.45 -0.81 0.00 0.00 175.30 174.85 1hkx s SER 470 N 0.19 2.70 0.00 -2.12 0.15 0.40 -4.03 113.70 110.99 1hkx s SER 470 Ca 0.05 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1hkx s SER 470 Cb -0.12 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1hkx s SER 470 CO 0.00 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1hkx n GLY 471 N 1.27 1.25 0.00 9.45 0.00 -1.26 -0.88 105.19 115.02 1hkx n GLY 471 Ca -0.19 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.23 0.00 -0.40 4.61 0.00 -1.26 -4.92 120.51 118.76 1hkx n ALA 472 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1hkx n ALA 472 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 0.00 -0.19 0.00 -0.02 -1.26 -4.73 135.00 128.80 1hkx n PRO 473 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1hkx n PRO 473 Cb 0.00 -0.37 -0.04 0.00 -0.02 0.00 0.00 33.50 33.08 1hkx n PRO 473 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1hkx n SER 474 N 2.46 0.46 0.00 2.55 7.64 -1.26 -4.94 113.62 120.54 1hkx n SER 474 Ca 0.18 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1hkx n SER 474 Cb 0.02 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1hkx n SER 474 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36