#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 0.78 -0.72 4.31 2.03 -2.06 -2.93 116.42 117.83 1hkx h ASP 342 Ca 0.00 -0.49 -0.01 0.00 -0.73 0.00 0.00 57.03 55.80 1hkx h ASP 342 Cb 0.00 -0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 38.24 1hkx h ASP 342 CO 0.00 1.12 0.42 0.71 -1.03 0.00 0.00 179.24 180.46 1hkx h THR 343 N 0.46 1.21 -0.92 1.15 1.35 -2.04 -1.86 112.91 112.26 1hkx h THR 343 Ca 0.04 -0.50 0.20 0.00 -0.55 0.00 0.00 66.41 65.60 1hkx h THR 343 Cb 0.93 0.23 -0.11 0.00 -1.73 0.00 0.00 68.15 67.46 1hkx h THR 343 CO 0.08 0.23 0.48 0.50 -0.25 0.00 0.00 175.52 176.56 1hkx h LYS 344 N 0.99 0.53 0.04 4.72 3.11 -1.96 0.32 116.57 124.33 1hkx h LYS 344 Ca 0.26 -0.03 -0.26 0.00 -2.81 0.00 0.00 60.65 57.80 1hkx h LYS 344 Cb -0.00 -0.12 0.02 0.00 -1.00 0.00 0.00 32.23 31.12 1hkx h LYS 344 CO -0.05 0.35 -1.08 0.28 -2.81 0.00 0.00 179.45 176.14 1hkx h VAL 345 N 0.54 1.34 -0.17 2.00 2.07 -1.19 -2.22 116.25 118.62 1hkx h VAL 345 Ca 0.56 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.60 1hkx h VAL 345 Cb 0.98 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1hkx h VAL 345 CO -0.46 0.74 -0.02 0.03 0.02 0.00 0.00 177.57 177.88 1hkx h ARG 346 N 0.28 0.32 -0.30 1.57 3.08 -0.54 0.90 114.38 119.69 1hkx h ARG 346 Ca -0.13 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.84 1hkx h ARG 346 Cb 1.74 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.73 1hkx h ARG 346 CO 0.20 0.56 0.12 0.87 -1.07 0.00 0.00 179.97 180.66 1hkx h LYS 347 N 0.04 0.26 0.00 0.04 1.57 -0.50 0.21 116.57 118.20 1hkx h LYS 347 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1hkx h LYS 347 Cb 0.43 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1hkx h LYS 347 CO 0.01 0.17 -0.03 0.37 -0.57 0.00 0.00 179.45 179.41 1hkx h GLN 348 N 0.27 0.00 -0.32 3.15 5.75 -1.21 -0.97 115.11 121.78 1hkx h GLN 348 Ca 0.13 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.50 1hkx h GLN 348 Cb 0.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1hkx h GLN 348 CO -0.12 0.03 -0.34 1.49 -2.65 0.00 0.00 178.83 177.25 1hkx h GLU 349 N 0.00 0.71 0.00 1.69 4.57 0.20 -2.66 114.58 119.08 1hkx h GLU 349 Ca -0.00 -0.34 -0.11 0.00 -1.18 0.00 0.00 59.36 57.74 1hkx h GLU 349 Cb 0.08 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1hkx h GLU 349 CO 0.00 0.94 -0.52 0.82 -1.18 0.00 0.00 179.01 179.08 1hkx h ILE 350 N 0.60 1.17 0.00 2.32 2.04 -0.31 -2.79 117.51 120.54 1hkx h ILE 350 Ca 0.06 -1.90 -0.11 0.00 1.00 0.00 0.00 64.86 63.92 1hkx h ILE 350 Cb 0.86 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1hkx h ILE 350 CO 0.07 0.51 -0.51 0.40 0.00 0.00 0.00 178.15 178.62 1hkx h ILE 351 N 0.00 1.32 -0.03 -0.67 2.04 -1.16 -2.50 117.51 116.50 1hkx h ILE 351 Ca -0.01 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.03 1hkx h ILE 351 Cb 1.04 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1hkx h ILE 351 CO 0.07 0.50 -0.18 0.50 0.00 0.00 0.00 178.15 179.03 1hkx h LYS 352 N 0.00 0.18 -0.56 2.37 1.63 -1.21 -2.25 116.57 116.73 1hkx h LYS 352 Ca -0.01 -0.15 -0.04 0.00 -0.85 0.00 0.00 60.65 59.61 1hkx h LYS 352 Cb 0.93 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 1hkx h LYS 352 CO 0.07 0.82 0.22 -0.39 -3.45 0.00 0.00 179.45 176.71 1hkx h VAL 353 N -0.42 1.23 -0.47 2.00 -1.51 -1.56 0.56 116.25 116.08 1hkx h VAL 353 Ca -0.01 -0.72 0.08 0.00 -1.23 0.00 0.00 66.70 64.82 1hkx h VAL 353 Cb 0.86 0.64 -0.07 0.00 -2.13 0.00 0.00 31.29 30.59 1hkx h VAL 353 CO 0.04 0.28 0.05 0.74 -1.23 0.00 0.00 177.57 177.45 1hkx h THR 354 N 0.78 0.69 -0.41 7.19 2.02 -1.49 0.65 112.91 122.34 1hkx h THR 354 Ca 0.19 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 1hkx h THR 354 Cb 0.22 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1hkx h THR 354 CO -0.01 0.03 -0.02 -0.33 0.37 0.00 0.00 175.52 175.56 1hkx h GLU 355 N 0.18 0.67 -0.31 6.66 5.08 -0.91 -0.73 114.58 125.22 1hkx h GLU 355 Ca 0.23 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1hkx h GLU 355 Cb 0.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1hkx h GLU 355 CO -0.34 0.70 -0.15 1.96 -1.00 0.00 0.00 179.01 180.18 1hkx h GLN 356 N 0.63 0.66 -0.24 2.33 4.20 0.66 0.35 115.11 123.70 1hkx h GLN 356 Ca 0.13 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.59 1hkx h GLN 356 Cb 0.43 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1hkx h GLN 356 CO 0.02 0.88 -0.03 1.25 -0.67 0.00 0.00 178.83 180.27 1hkx h LEU 357 N 0.42 -0.16 -1.00 1.46 5.85 0.61 0.16 115.31 122.66 1hkx h LEU 357 Ca 0.07 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1hkx h LEU 357 Cb 0.68 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1hkx h LEU 357 CO 0.05 -0.05 0.42 0.40 -0.34 0.00 0.00 178.44 178.91 1hkx h ILE 358 N 0.03 1.24 -0.21 4.05 2.04 -0.96 -0.84 117.51 122.87 1hkx h ILE 358 Ca 0.11 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1hkx h ILE 358 Cb 0.16 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1hkx h ILE 358 CO -0.22 0.28 0.12 -0.33 0.00 0.00 0.00 178.15 178.00 1hkx h GLU 359 N 1.13 0.24 -0.81 2.37 5.08 0.11 0.14 114.58 122.84 1hkx h GLU 359 Ca 0.28 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1hkx h GLU 359 Cb 0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1hkx h GLU 359 CO -0.04 0.16 0.38 0.00 -1.00 0.00 0.00 179.01 178.51 1hkx h ALA 360 N 1.09 1.05 0.77 3.43 0.00 -0.33 0.16 119.26 125.43 1hkx h ALA 360 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1hkx h ALA 360 Cb -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1hkx h ALA 360 CO -0.04 0.62 -0.38 0.82 0.00 0.00 0.00 179.25 180.27 1hkx h ILE 361 N 1.15 0.00 -0.61 0.00 2.04 -0.72 0.02 117.51 119.39 1hkx h ILE 361 Ca 0.28 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.26 1hkx h ILE 361 Cb 0.13 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.09 1hkx h ILE 361 CO -0.03 0.00 -0.20 0.28 0.00 0.00 0.00 178.15 178.20 1hkx h SER 362 N -1.04 -0.72 -0.96 1.72 0.02 -0.58 -1.63 113.55 110.37 1hkx h SER 362 Ca -0.11 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1hkx h SER 362 Cb 0.80 0.43 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 1hkx h SER 362 CO 0.17 -0.24 0.63 0.78 -1.14 0.00 0.00 176.83 177.03 1hkx h ASN 363 N -0.05 1.07 0.00 3.07 -0.26 -0.57 -3.47 115.58 115.38 1hkx h ASN 363 Ca 0.29 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1hkx h ASN 363 Cb 0.49 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1hkx h ASN 363 CO -0.65 0.76 0.00 0.61 -1.06 0.00 0.00 177.43 177.08 1hkx n GLY 364 N -1.36 0.89 3.58 2.83 0.00 -0.07 -4.98 105.19 106.08 1hkx n GLY 364 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.09 6.21 0.28 1.61 -1.08 -0.82 -4.87 116.67 115.91 1hkx s ASP 365 Ca 0.00 0.31 0.20 0.00 -0.52 0.00 0.00 52.55 52.54 1hkx s ASP 365 Cb 0.00 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 39.02 1hkx s ASP 365 CO 0.00 -1.64 1.30 0.15 0.52 0.00 0.00 175.17 175.50 1hkx h PHE 366 N 10.74 0.00 -0.37 -5.34 3.57 -1.92 -3.18 116.94 120.43 1hkx h PHE 366 Ca -0.26 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 1hkx h PHE 366 Cb 1.09 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1hkx h PHE 366 CO 1.03 0.22 0.06 0.93 -2.23 0.00 0.00 178.31 178.31 1hkx h GLU 367 N 0.00 0.62 -0.00 1.11 4.39 -1.97 -1.64 114.58 117.08 1hkx h GLU 367 Ca -0.03 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1hkx h GLU 367 Cb 1.19 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1hkx h GLU 367 CO 0.02 0.68 0.00 0.77 -1.16 0.00 0.00 179.01 179.32 1hkx h SER 368 N 0.46 0.00 -0.44 1.42 0.02 -1.97 -2.73 113.55 110.30 1hkx h SER 368 Ca 0.11 -0.20 0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1hkx h SER 368 Cb 0.36 -0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 1hkx h SER 368 CO 0.01 0.20 -0.28 0.22 -1.14 0.00 0.00 176.83 175.84 1hkx h TYR 369 N -0.20 -0.76 -0.72 3.45 3.20 -1.50 -1.58 116.97 118.86 1hkx h TYR 369 Ca 0.00 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1hkx h TYR 369 Cb 0.20 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 1hkx h TYR 369 CO -0.01 -0.35 0.47 1.79 -1.64 0.00 0.00 178.16 178.42 1hkx h THR 370 N -0.19 1.16 -0.11 1.81 1.35 -1.27 -1.94 112.91 113.71 1hkx h THR 370 Ca 0.20 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1hkx h THR 370 Cb 0.51 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1hkx h THR 370 CO -0.55 0.17 0.07 0.11 -0.25 0.00 0.00 175.52 175.07 1hkx h LYS 371 N 0.95 0.15 -0.01 4.72 1.57 -1.00 -0.57 116.57 122.38 1hkx h LYS 371 Ca 0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1hkx h LYS 371 Cb -0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1hkx h LYS 371 CO -0.08 0.11 -0.32 -1.33 -0.57 0.00 0.00 179.45 177.26 1hkx n MET 372 N -4.51 0.67 -4.45 3.15 2.81 -0.74 -4.86 117.12 109.18 1hkx n MET 372 Ca -0.01 -0.40 -0.34 0.00 -1.81 0.00 0.00 57.70 55.15 1hkx n MET 372 Cb 0.09 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 30.98 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 0.24 7.17 0.37 0.00 3.68 -0.62 -4.86 116.67 122.65 1hkx s ASP 374 Ca -0.03 2.15 0.18 0.00 2.13 0.00 0.00 52.55 56.97 1hkx s ASP 374 Cb -0.14 -2.60 1.13 0.00 -1.45 0.00 0.00 42.92 39.85 1hkx s ASP 374 CO 0.03 -0.30 1.69 -0.65 0.13 0.00 0.00 175.17 176.07 1hkx h PRO 375 N 5.26 0.33 -0.39 4.34 0.11 -1.90 0.78 132.00 140.52 1hkx h PRO 375 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1hkx h PRO 375 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1hkx h PRO 375 CO 0.74 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 1hkx n GLY 376 N -1.39 0.66 3.63 -0.55 0.00 -1.26 -4.16 105.19 102.12 1hkx n GLY 376 Ca 0.30 -0.31 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 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 0.30 1.18 -4.39 1.61 0.00 0.27 -4.63 117.12 111.46 1hkx n MET 377 Ca 0.10 0.43 -0.35 0.00 0.00 0.00 0.00 57.70 57.88 1hkx n MET 377 Cb 0.31 -2.09 -0.10 0.00 0.00 0.00 0.00 33.22 31.34 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 1.57 4.25 0.01 1.12 2.01 0.19 -0.73 115.64 124.07 1hkx s THR 378 Ca 0.89 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 1hkx s THR 378 Cb -0.98 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 1hkx s THR 378 CO 0.53 0.60 0.03 0.00 -0.69 0.00 0.00 174.62 175.09 1hkx s ALA 379 N -0.79 -0.04 -0.20 7.40 0.00 0.67 -1.80 121.76 126.99 1hkx s ALA 379 Ca 0.12 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1hkx s ALA 379 Cb -0.11 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1hkx s ALA 379 CO 0.02 -0.18 -0.13 -0.06 0.00 0.00 0.00 175.76 175.41 1hkx s PHE 380 N -1.48 2.63 0.04 0.00 2.99 -0.50 -0.04 117.98 121.63 1hkx s PHE 380 Ca -0.15 -1.69 -0.16 0.00 0.00 0.00 0.00 56.93 54.93 1hkx s PHE 380 Cb -0.09 -1.76 0.03 0.00 0.00 0.00 0.00 43.02 41.20 1hkx s PHE 380 CO -0.00 -0.78 0.36 -1.83 -0.00 0.00 0.00 175.22 172.97 1hkx s GLU 381 N 1.33 0.86 0.61 0.44 -1.05 -1.26 0.14 118.70 119.77 1hkx s GLU 381 Ca -0.00 -0.42 0.29 0.00 -0.15 0.00 0.00 54.97 54.69 1hkx s GLU 381 Cb -0.16 0.38 1.50 0.00 -0.44 0.00 0.00 34.13 35.41 1hkx s GLU 381 CO -0.09 -0.28 1.89 -1.35 0.95 0.00 0.00 175.26 176.38 1hkx h PRO 382 N 3.15 0.00 0.00 -4.83 0.11 -1.87 0.27 132.00 128.82 1hkx h PRO 382 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1hkx h PRO 382 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1hkx h PRO 382 CO 0.44 0.00 -0.18 0.39 -0.21 0.00 0.00 178.00 178.44 1hkx n GLU 383 N -3.46 0.21 -0.04 1.05 4.71 -1.26 -3.21 120.64 118.64 1hkx n GLU 383 Ca 0.05 0.13 0.12 0.00 -0.01 0.00 0.00 57.16 57.46 1hkx n GLU 383 Cb 0.59 -1.70 0.49 0.00 -1.01 0.00 0.00 31.44 29.81 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 -1.73 2.56 -4.05 0.62 0.00 0.08 -4.96 120.51 113.04 1hkx n ALA 384 Ca 0.05 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 1hkx n ALA 384 Cb 0.41 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.07 -2.15 0.00 0.00 4.77 -1.20 -1.17 117.00 117.32 1hkx n LEU 385 Ca 0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1hkx n LEU 385 Cb 0.30 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 1hkx n LEU 385 CO 0.15 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1hkx n GLY 386 N -1.61 0.87 3.87 -0.72 0.00 -1.26 -5.05 105.19 101.28 1hkx n GLY 386 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.93 6.48 -0.47 1.61 0.01 -0.31 -5.04 114.94 114.29 1hkx s ASN 387 Ca 0.00 0.57 -0.29 0.00 -0.71 0.00 0.00 52.86 52.43 1hkx s ASN 387 Cb 0.00 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.58 1hkx s ASN 387 CO 0.00 0.38 1.17 -0.22 -1.51 0.00 0.00 177.10 176.93 1hkx s LEU 388 N -0.99 3.63 0.35 0.60 0.20 -1.26 -4.64 118.68 116.56 1hkx s LEU 388 Ca 0.17 0.52 -0.08 0.00 0.69 0.00 0.00 54.13 55.43 1hkx s LEU 388 Cb -0.13 -3.55 -0.06 0.00 -0.43 0.00 0.00 46.19 42.02 1hkx s LEU 388 CO 0.06 -1.28 0.66 -0.69 -0.29 0.00 0.00 176.35 174.82 1hkx s VAL 389 N 4.58 4.90 -0.05 1.68 1.01 0.95 -4.86 120.40 128.61 1hkx s VAL 389 Ca 0.50 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.84 1hkx s VAL 389 Cb -0.08 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1hkx s VAL 389 CO 0.32 -0.42 -0.11 -0.70 0.00 0.00 0.00 175.10 174.18 1hkx s GLU 390 N -3.71 1.45 0.00 2.72 2.12 -1.26 -0.24 118.70 119.79 1hkx s GLU 390 Ca 0.48 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1hkx s GLU 390 Cb -0.10 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 33.04 1hkx s GLU 390 CO 0.31 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.48 1hkx n GLY 391 N 3.71 -0.43 0.07 -1.50 0.00 0.10 -4.69 105.19 102.45 1hkx n GLY 391 Ca -0.22 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 1hkx n GLY 391 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hkx h LEU 392 N 0.00 0.00 -1.18 0.99 -0.00 -1.85 -3.39 115.31 109.88 1hkx h LEU 392 Ca 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 57.88 58.25 1hkx h LEU 392 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 40.52 1hkx h LEU 392 CO 0.00 1.00 0.67 -0.78 -0.00 0.00 0.00 178.44 179.33 1hkx h ASP 393 N 0.00 0.39 1.12 -0.43 -0.00 -1.97 0.48 116.42 116.00 1hkx h ASP 393 Ca -0.18 0.17 -0.05 0.00 -0.00 0.00 0.00 57.03 56.97 1hkx h ASP 393 Cb 1.92 0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 41.38 1hkx h ASP 393 CO 0.10 -0.17 -0.22 0.15 -0.00 0.00 0.00 179.24 179.10 1hkx h PHE 394 N 0.21 0.00 0.00 0.28 3.04 -1.84 -3.21 116.94 115.41 1hkx h PHE 394 Ca 0.76 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.68 1hkx h PHE 394 Cb 2.04 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.54 1hkx h PHE 394 CO -0.01 0.22 -1.39 0.72 -2.02 0.00 0.00 178.31 175.82 1hkx n HIS 395 N -3.31 0.66 -0.13 0.41 -0.00 0.12 -4.21 115.22 108.76 1hkx n HIS 395 Ca 0.01 0.20 -0.04 0.00 -0.00 0.00 0.00 57.72 57.88 1hkx n HIS 395 Cb 0.47 -0.84 0.02 0.00 -0.00 0.00 0.00 29.99 29.64 1hkx n HIS 395 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1hkx h ARG 396 N 0.00 -0.05 -0.95 -0.41 2.43 -1.46 -1.90 114.38 112.04 1hkx h ARG 396 Ca -0.04 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 59.42 1hkx h ARG 396 Cb 1.11 0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.51 1hkx h ARG 396 CO 0.01 -0.03 0.19 0.35 -1.51 0.00 0.00 179.97 178.97 1hkx h PHE 397 N -0.05 0.24 0.00 2.20 3.57 -1.73 1.11 116.94 122.28 1hkx h PHE 397 Ca 0.21 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1hkx h PHE 397 Cb 0.37 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1hkx h PHE 397 CO -0.41 -0.36 0.00 1.88 -2.23 0.00 0.00 178.31 177.18 1hkx h TYR 398 N 0.08 0.00 0.00 0.41 -1.99 -1.60 -2.23 116.97 111.64 1hkx h TYR 398 Ca 0.62 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.33 1hkx h TYR 398 Cb 1.36 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.09 1hkx h TYR 398 CO -0.33 0.00 -0.57 0.74 -0.00 0.00 0.00 178.16 178.00 1hkx h PHE 399 N 0.00 0.00 0.00 4.88 0.04 0.14 -3.31 116.94 118.69 1hkx h PHE 399 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1hkx h PHE 399 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1hkx h PHE 399 CO 0.00 0.10 -1.11 0.39 -0.60 0.00 0.00 178.31 177.09 1hkx n GLU 400 N -2.93 1.28 -0.57 1.51 1.02 -0.48 -4.55 120.64 115.92 1hkx n GLU 400 Ca 0.01 -0.05 0.06 0.00 -0.02 0.00 0.00 57.16 57.16 1hkx n GLU 400 Cb 0.58 -1.30 0.20 0.00 -0.02 0.00 0.00 31.44 30.90 1hkx n GLU 400 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1hkx n ASN 401 N -1.63 1.75 -0.54 1.62 4.13 -0.86 -4.55 115.26 115.19 1hkx n ASN 401 Ca 0.01 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.49 1hkx n ASN 401 Cb 0.31 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1hkx n ASN 401 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1hkx n LEU 402 N -1.11 0.03 0.00 3.41 7.99 -1.25 -4.90 117.00 121.18 1hkx n LEU 402 Ca 0.18 -1.04 0.01 0.00 -0.01 0.00 0.00 56.01 55.15 1hkx n LEU 402 Cb 0.70 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 44.05 1hkx n LEU 402 CO -0.04 0.40 0.53 0.79 -1.51 0.00 0.00 177.39 177.57 1hkx n TRP 403 N 0.02 0.00 -0.52 -1.77 8.01 -1.26 -3.76 117.44 118.16 1hkx n TRP 403 Ca -0.00 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.13 1hkx n TRP 403 Cb 0.68 -0.48 -0.09 0.00 -2.01 0.00 0.00 31.31 29.41 1hkx n TRP 403 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1hkx n SER 404 N -1.48 2.73 0.11 -0.99 3.41 -1.26 -4.44 113.62 111.69 1hkx n SER 404 Ca 0.01 -2.01 -0.04 0.00 -0.26 0.00 0.00 58.87 56.56 1hkx n SER 404 Cb 0.02 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.21 1hkx n SER 404 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1hkx h ARG 405 N 4.41 -0.27 -1.10 4.33 2.47 -1.89 -3.10 114.38 119.24 1hkx h ARG 405 Ca 0.10 0.02 0.33 0.00 -1.26 0.00 0.00 59.98 59.17 1hkx h ARG 405 Cb 0.79 0.06 -0.13 0.00 -1.65 0.00 0.00 29.97 29.04 1hkx h ARG 405 CO 0.36 -0.18 0.67 -0.97 0.56 0.00 0.00 179.97 180.41 1hkx h ASN 406 N -0.34 0.43 0.00 7.04 -0.00 -1.96 0.18 115.58 120.94 1hkx h ASN 406 Ca -0.03 0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1hkx h ASN 406 Cb 0.21 0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.63 1hkx h ASN 406 CO 0.05 -0.08 0.00 -0.24 -0.00 0.00 0.00 177.43 177.15 1hkx n SER 407 N -4.84 2.13 0.00 1.15 2.88 -1.17 -4.29 113.62 109.48 1hkx n SER 407 Ca 0.31 -1.41 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 1hkx n SER 407 Cb 1.07 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1hkx n SER 407 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1hkx n LYS 408 N 1.40 0.00 -2.30 -1.46 4.81 0.64 -4.93 118.16 116.31 1hkx n LYS 408 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1hkx n LYS 408 Cb 0.24 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.25 1hkx n LYS 408 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1hkx s PRO 409 N 0.00 4.46 -0.05 1.64 0.02 -1.26 -4.86 135.00 134.95 1hkx s PRO 409 Ca 0.00 1.97 -0.00 0.00 0.02 0.00 0.00 61.00 62.99 1hkx s PRO 409 Cb 0.00 -3.20 0.03 0.00 0.02 0.00 0.00 34.50 31.35 1hkx s PRO 409 CO 0.00 -0.11 -0.01 0.08 -0.33 0.00 0.00 177.00 176.63 1hkx s VAL 410 N -0.31 0.36 -0.13 3.83 1.01 -1.26 -4.09 120.40 119.80 1hkx s VAL 410 Ca 0.52 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1hkx s VAL 410 Cb -0.35 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1hkx s VAL 410 CO 0.40 0.22 -0.16 -2.28 0.00 0.00 0.00 175.10 173.27 1hkx s HIS 411 N 1.40 2.23 0.07 5.22 5.04 -0.28 -4.98 115.29 123.98 1hkx s HIS 411 Ca -0.04 -1.17 0.02 0.00 -1.54 0.00 0.00 55.06 52.33 1hkx s HIS 411 Cb -0.13 -1.59 -0.04 0.00 0.04 0.00 0.00 32.58 30.85 1hkx s HIS 411 CO -0.03 -0.60 0.14 0.99 -2.34 0.00 0.00 174.74 172.90 1hkx s THR 412 N 1.18 4.93 0.01 0.89 2.01 -1.26 -1.23 115.64 122.17 1hkx s THR 412 Ca -0.01 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1hkx s THR 412 Cb -0.14 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1hkx s THR 412 CO -0.06 0.14 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.05 1hkx s THR 413 N -1.44 0.51 -0.27 -0.82 2.01 -0.26 -5.00 115.64 110.37 1hkx s THR 413 Ca 0.32 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 1hkx s THR 413 Cb -0.13 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 71.94 1hkx s THR 413 CO 0.24 0.00 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.52 1hkx s ILE 414 N -0.47 3.01 -0.16 1.82 1.01 -1.26 -1.75 121.20 123.40 1hkx s ILE 414 Ca -0.01 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.44 1hkx s ILE 414 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1hkx s ILE 414 CO -0.00 0.07 0.07 -0.76 0.00 0.00 0.00 174.94 174.32 1hkx s LEU 415 N 1.31 3.88 -1.20 2.97 1.43 -0.27 -4.66 118.68 122.14 1hkx s LEU 415 Ca -0.02 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1hkx s LEU 415 Cb -0.18 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1hkx s LEU 415 CO -0.03 0.23 0.84 -3.20 0.23 0.00 0.00 176.35 174.43 1hkx n ASN 416 N 3.15 -3.17 -4.77 2.29 5.15 -1.26 -2.03 115.26 114.62 1hkx n ASN 416 Ca -0.17 -0.76 -0.40 0.00 -0.60 0.00 0.00 54.58 52.64 1hkx n ASN 416 Cb 0.53 -4.54 0.01 0.00 -0.53 0.00 0.00 39.78 35.24 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 -5.44 3.92 -0.06 1.20 0.02 -1.26 -4.66 135.00 128.72 1hkx s PRO 417 Ca 0.16 2.45 -0.01 0.00 0.02 0.00 0.00 61.00 63.62 1hkx s PRO 417 Cb -0.03 -2.82 0.03 0.00 0.02 0.00 0.00 34.50 31.69 1hkx s PRO 417 CO 0.78 -0.64 0.01 -1.01 -0.33 0.00 0.00 177.00 175.81 1hkx s HIS 418 N -1.17 0.57 -0.02 6.54 3.76 -0.15 -4.98 115.29 119.84 1hkx s HIS 418 Ca 0.56 -0.10 0.03 0.00 -0.15 0.00 0.00 55.06 55.41 1hkx s HIS 418 Cb -0.44 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.48 1hkx s HIS 418 CO 0.58 -0.30 -0.09 0.42 -0.85 0.00 0.00 174.74 174.51 1hkx s ILE 419 N 1.95 3.51 -0.20 0.60 1.09 -1.26 -0.69 121.20 126.20 1hkx s ILE 419 Ca 0.04 -0.73 0.01 0.00 -1.10 0.00 0.00 60.65 58.87 1hkx s ILE 419 Cb -0.12 -2.48 0.04 0.00 -1.06 0.00 0.00 42.46 38.84 1hkx s ILE 419 CO -0.05 0.47 -0.12 -1.00 -0.10 0.00 0.00 174.94 174.14 1hkx s HIS 420 N -0.91 2.54 0.04 3.97 3.76 0.15 -4.96 115.29 119.88 1hkx s HIS 420 Ca 0.15 -1.66 -0.18 0.00 -0.15 0.00 0.00 55.06 53.22 1hkx s HIS 420 Cb -0.11 -1.70 -0.06 0.00 1.11 0.00 0.00 32.58 31.82 1hkx s HIS 420 CO 0.05 -0.76 0.53 -0.51 -0.85 0.00 0.00 174.74 173.19 1hkx s LEU 421 N 1.36 4.50 -0.47 0.89 2.01 -1.26 -0.50 118.68 125.20 1hkx s LEU 421 Ca -0.01 1.17 0.05 0.00 0.01 0.00 0.00 54.13 55.35 1hkx s LEU 421 Cb -0.16 -2.81 0.19 0.00 0.01 0.00 0.00 46.19 43.42 1hkx s LEU 421 CO -0.08 0.27 0.44 0.23 1.01 0.00 0.00 176.35 178.21 1hkx n MET 422 N 1.86 0.76 -0.02 1.70 2.81 -0.52 -4.99 117.12 118.72 1hkx n MET 422 Ca -0.11 -3.52 0.00 0.00 -1.81 0.00 0.00 57.70 52.26 1hkx n MET 422 Cb 0.51 -1.71 -0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1hkx n MET 422 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hkx n GLY 423 N 2.21 -2.67 0.55 3.03 0.00 -1.26 -3.85 105.19 103.20 1hkx n GLY 423 Ca 0.26 -1.41 0.37 0.00 0.00 0.00 0.00 46.02 45.25 1hkx n GLY 423 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hkx h ASP 424 N -0.02 0.08 -0.01 1.61 5.19 -2.04 -2.88 116.42 118.35 1hkx h ASP 424 Ca -0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1hkx h ASP 424 Cb 0.02 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1hkx h ASP 424 CO 0.00 -0.01 -0.14 -0.62 -3.12 0.00 0.00 179.24 175.36 1hkx n GLU 425 N -4.23 1.89 -3.93 3.56 -0.58 -1.26 -4.87 120.64 111.22 1hkx n GLU 425 Ca 0.30 -1.52 -0.10 0.00 -0.42 0.00 0.00 57.16 55.43 1hkx n GLU 425 Cb 1.37 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 30.67 1hkx n GLU 425 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1hkx s SER 426 N -2.15 0.15 0.19 1.62 1.04 -1.09 0.41 113.70 113.88 1hkx s SER 426 Ca 0.26 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 1hkx s SER 426 Cb 0.20 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 1hkx s SER 426 CO 0.39 -0.39 0.30 0.00 0.98 0.00 0.00 173.24 174.51 1hkx s ALA 427 N -1.79 0.22 -0.12 5.32 0.00 -0.10 -1.43 121.76 123.85 1hkx s ALA 427 Ca -0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1hkx s ALA 427 Cb -0.06 1.04 0.06 0.00 0.00 0.00 0.00 23.12 24.15 1hkx s ALA 427 CO -0.01 -0.69 0.25 0.00 0.00 0.00 0.00 175.76 175.31 1hkx s ILE 429 N 2.24 2.54 -0.07 0.00 2.07 -0.41 0.31 121.20 127.88 1hkx s ILE 429 Ca -0.00 -0.91 0.02 0.00 -1.41 0.00 0.00 60.65 58.35 1hkx s ILE 429 Cb -0.12 -1.96 0.02 0.00 0.13 0.00 0.00 42.46 40.53 1hkx s ILE 429 CO -0.08 0.58 -0.10 0.00 -1.91 0.00 0.00 174.94 173.42 1hkx s ALA 430 N -0.47 1.16 0.26 1.50 0.00 0.13 -0.75 121.76 123.59 1hkx s ALA 430 Ca 0.06 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 1hkx s ALA 430 Cb -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1hkx s ALA 430 CO 0.01 0.02 0.56 1.52 0.00 0.00 0.00 175.76 177.87 1hkx s TYR 431 N 0.85 0.19 -0.23 0.00 -0.85 -0.36 -0.97 117.35 115.98 1hkx s TYR 431 Ca -0.11 -0.58 -0.09 0.00 -0.52 0.00 0.00 57.07 55.76 1hkx s TYR 431 Cb -0.15 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.51 1hkx s TYR 431 CO 0.01 -1.09 0.13 0.42 -1.52 0.00 0.00 175.55 173.51 1hkx s ILE 432 N -3.95 5.13 -0.33 -3.49 -1.09 -0.86 -0.93 121.20 115.68 1hkx s ILE 432 Ca 0.19 0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.60 1hkx s ILE 432 Cb -0.02 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1hkx s ILE 432 CO 0.09 0.37 0.18 -0.60 -1.23 0.00 0.00 174.94 173.75 1hkx s ARG 433 N 0.95 3.22 -0.19 2.79 3.52 0.10 -1.12 118.95 128.22 1hkx s ARG 433 Ca 0.06 -0.81 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 1hkx s ARG 433 Cb -0.13 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1hkx s ARG 433 CO 0.03 -0.50 0.05 0.42 -0.81 0.00 0.00 175.30 174.49 1hkx s ILE 434 N 1.62 4.55 -0.14 4.11 1.01 -0.72 -1.50 121.20 130.12 1hkx s ILE 434 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1hkx s ILE 434 Cb -0.18 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1hkx s ILE 434 CO 0.07 0.44 -0.18 -0.89 0.00 0.00 0.00 174.94 174.38 1hkx s THR 435 N 0.63 2.43 -0.23 2.92 2.01 -0.20 -1.10 115.64 122.11 1hkx s THR 435 Ca 0.02 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1hkx s THR 435 Cb -0.13 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1hkx s THR 435 CO 0.02 0.53 0.00 -1.10 -0.69 0.00 0.00 174.62 173.38 1hkx s GLN 436 N 0.70 3.53 0.17 4.92 -0.21 -0.36 -0.48 119.66 127.92 1hkx s GLN 436 Ca -0.08 -0.55 0.02 0.00 0.02 0.00 0.00 55.36 54.76 1hkx s GLN 436 Cb -0.16 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.72 1hkx s GLN 436 CO 0.01 -0.14 0.19 2.48 -2.12 0.00 0.00 175.29 175.71 1hkx n TYR 437 N 4.71 -0.64 0.00 0.91 0.18 -0.88 -1.12 117.16 120.32 1hkx n TYR 437 Ca -0.17 -1.31 0.00 0.00 1.88 0.00 0.00 57.90 58.30 1hkx n TYR 437 Cb 0.51 0.20 0.00 0.00 -0.38 0.00 0.00 39.34 39.68 1hkx n TYR 437 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1hkx n LEU 438 N 0.00 0.00 0.00 -3.48 4.77 -1.26 -0.58 117.00 116.45 1hkx n LEU 438 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1hkx n LEU 438 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1hkx n LEU 438 CO 0.15 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.68 1hkx n ASP 439 N 0.00 -2.09 -1.14 -1.43 8.00 -1.26 -4.54 116.55 114.10 1hkx n ASP 439 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1hkx n ASP 439 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1hkx n ASP 439 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hkx n ALA 440 N 0.03 -0.23 0.00 2.24 0.00 -1.26 -1.29 120.51 120.00 1hkx n ALA 440 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1hkx n ALA 440 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 -0.44 0.83 2.10 0.00 0.00 -1.26 -4.74 105.19 101.67 1hkx n GLY 441 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.54 3.64 -0.02 0.00 -0.41 -5.03 105.19 103.92 1hkx n GLY 442 Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.15 5.11 -0.25 -0.61 1.09 -1.20 -4.72 121.20 118.47 1hkx s ILE 443 Ca 0.00 0.86 -0.32 0.00 -1.10 0.00 0.00 60.65 60.09 1hkx s ILE 443 Cb 0.00 -3.81 -0.08 0.00 -1.06 0.00 0.00 42.46 37.51 1hkx s ILE 443 CO 0.00 0.15 2.17 -2.65 -0.10 0.00 0.00 174.94 174.51 1hkx n PRO 444 N 5.04 1.64 -4.23 2.79 -0.02 -1.26 -4.46 135.00 134.49 1hkx n PRO 444 Ca -0.05 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 1hkx n PRO 444 Cb 0.50 -2.85 -0.07 0.00 -0.02 0.00 0.00 33.50 31.06 1hkx n PRO 444 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1hkx s ARG 445 N 6.01 2.22 -0.10 -0.52 1.81 0.25 -4.98 118.95 123.65 1hkx s ARG 445 Ca 1.03 -1.63 -0.01 0.00 -1.72 0.00 0.00 55.73 53.40 1hkx s ARG 445 Cb -0.59 -2.05 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 1hkx s ARG 445 CO 0.43 0.15 -0.01 0.99 -0.68 0.00 0.00 175.30 176.18 1hkx s THR 446 N -2.46 0.51 0.13 0.02 2.01 -1.26 -2.07 115.64 112.52 1hkx s THR 446 Ca 0.36 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.35 1hkx s THR 446 Cb -0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1hkx s THR 446 CO 0.21 0.20 0.11 0.00 -0.69 0.00 0.00 174.62 174.45 1hkx s ALA 447 N 1.91 3.56 0.05 7.40 0.00 0.37 -4.95 121.76 130.10 1hkx s ALA 447 Ca 0.04 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1hkx s ALA 447 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 1hkx s ALA 447 CO -0.06 0.59 -0.13 -1.14 0.00 0.00 0.00 175.76 175.02 1hkx s GLN 448 N -2.85 0.81 -0.13 0.00 0.74 -1.26 -1.03 119.66 115.94 1hkx s GLN 448 Ca 0.30 -0.81 -0.22 0.00 0.05 0.00 0.00 55.36 54.68 1hkx s GLN 448 Cb -0.11 -0.79 0.05 0.00 1.10 0.00 0.00 33.01 33.27 1hkx s GLN 448 CO 0.23 0.18 0.55 -1.54 -0.55 0.00 0.00 175.29 174.16 1hkx s SER 449 N -1.40 -0.53 -0.12 6.67 1.04 -0.56 -4.43 113.70 114.37 1hkx s SER 449 Ca -0.01 0.82 -0.17 0.00 0.48 0.00 0.00 55.95 57.07 1hkx s SER 449 Cb -0.09 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1hkx s SER 449 CO 0.01 -0.36 0.42 -1.61 0.98 0.00 0.00 173.24 172.68 1hkx s GLU 450 N -0.43 4.28 -0.00 4.02 2.02 0.46 0.02 118.70 129.06 1hkx s GLU 450 Ca -0.06 0.35 0.04 0.00 0.02 0.00 0.00 54.97 55.32 1hkx s GLU 450 Cb -0.03 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 1hkx s GLU 450 CO 0.04 0.23 -0.12 -1.21 0.02 0.00 0.00 175.26 174.22 1hkx s GLU 451 N 0.42 0.97 -0.15 1.61 2.02 -0.10 -0.84 118.70 122.63 1hkx s GLU 451 Ca 0.23 -0.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.73 1hkx s GLU 451 Cb -0.15 -0.94 0.03 0.00 0.10 0.00 0.00 34.13 33.18 1hkx s GLU 451 CO 0.09 0.25 -0.09 0.99 0.02 0.00 0.00 175.26 176.52 1hkx s THR 452 N -0.38 1.26 -0.17 3.63 2.01 -0.62 -1.23 115.64 120.15 1hkx s THR 452 Ca 0.04 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1hkx s THR 452 Cb -0.05 -1.31 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 1hkx s THR 452 CO -0.00 0.29 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.96 1hkx s ARG 453 N 1.59 3.27 -0.26 4.92 1.81 0.07 -1.06 118.95 129.29 1hkx s ARG 453 Ca 0.03 -0.71 -0.09 0.00 -1.72 0.00 0.00 55.73 53.24 1hkx s ARG 453 Cb -0.14 -2.71 -0.04 0.00 -0.45 0.00 0.00 34.95 31.62 1hkx s ARG 453 CO -0.09 -0.00 0.12 0.08 -0.68 0.00 0.00 175.30 174.73 1hkx s VAL 454 N 0.89 4.76 0.04 3.52 1.01 -0.09 -1.28 120.40 129.25 1hkx s VAL 454 Ca -0.03 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1hkx s VAL 454 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1hkx s VAL 454 CO -0.01 0.31 0.02 0.26 0.00 0.00 0.00 175.10 175.69 1hkx s TRP 455 N 1.56 3.09 -0.03 5.22 0.52 -0.10 -1.30 118.94 127.90 1hkx s TRP 455 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.24 1hkx s TRP 455 Cb -0.15 -1.62 0.03 0.00 -1.15 0.00 0.00 33.47 30.57 1hkx s TRP 455 CO 0.06 0.49 -0.00 -1.58 0.02 0.00 0.00 176.95 175.93 1hkx s HIS 456 N -1.22 0.36 -0.24 -1.98 5.65 -0.22 -0.93 115.29 116.72 1hkx s HIS 456 Ca 0.24 -0.02 -0.25 0.00 0.25 0.00 0.00 55.06 55.28 1hkx s HIS 456 Cb -0.12 -0.44 -0.00 0.00 -1.18 0.00 0.00 32.58 30.84 1hkx s HIS 456 CO 0.15 -0.14 0.85 0.50 -0.65 0.00 0.00 174.74 175.45 1hkx s ARG 457 N 1.04 4.20 -0.33 2.88 3.52 0.17 -1.21 118.95 129.21 1hkx s ARG 457 Ca -0.10 0.99 -0.03 0.00 -0.13 0.00 0.00 55.73 56.47 1hkx s ARG 457 Cb -0.14 -3.64 0.06 0.00 -1.56 0.00 0.00 34.95 29.68 1hkx s ARG 457 CO -0.02 -0.52 0.07 0.50 -0.81 0.00 0.00 175.30 174.53 1hkx s ARG 458 N 2.83 2.36 4.71 5.12 3.52 -0.73 -4.94 118.95 131.82 1hkx s ARG 458 Ca 0.36 -1.39 0.00 0.00 -0.13 0.00 0.00 55.73 54.57 1hkx s ARG 458 Cb -0.15 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1hkx s ARG 458 CO 0.07 -0.74 0.00 -0.25 -0.81 0.00 0.00 175.30 173.58 1hkx n ASP 459 N 4.65 0.00 0.00 -2.12 8.00 -1.26 -3.16 116.55 122.66 1hkx n ASP 459 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1hkx n ASP 459 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.00 -2.66 3.90 0.44 0.00 -1.26 -4.87 105.19 100.73 1hkx n GLY 460 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.75 3.23 0.18 1.61 -2.85 -1.19 -5.08 119.74 112.89 1hkx s LYS 461 Ca 0.00 0.31 -0.18 0.00 -1.00 0.00 0.00 55.97 55.09 1hkx s LYS 461 Cb 0.00 -2.21 -0.08 0.00 -2.06 0.00 0.00 37.83 33.48 1hkx s LYS 461 CO 0.00 -0.60 0.67 -1.58 0.10 0.00 0.00 175.35 173.94 1hkx s TRP 462 N -3.03 3.67 -0.01 1.78 0.52 -1.26 -1.77 118.94 118.82 1hkx s TRP 462 Ca 0.53 1.30 0.03 0.00 0.02 0.00 0.00 56.10 57.99 1hkx s TRP 462 Cb -0.11 -2.55 -0.01 0.00 -1.15 0.00 0.00 33.47 29.66 1hkx s TRP 462 CO 0.48 0.39 -0.11 -0.65 0.02 0.00 0.00 176.95 177.09 1hkx s GLN 463 N -1.84 0.97 -0.11 4.98 -0.21 -0.35 -4.74 119.66 118.36 1hkx s GLN 463 Ca 0.40 -0.40 -0.29 0.00 0.02 0.00 0.00 55.36 55.09 1hkx s GLN 463 Cb -0.17 -0.93 -0.01 0.00 1.00 0.00 0.00 33.01 32.90 1hkx s GLN 463 CO 0.21 0.22 0.98 0.42 -2.12 0.00 0.00 175.29 174.99 1hkx s ILE 464 N -0.16 4.80 -0.18 1.08 1.01 0.94 -1.05 121.20 127.64 1hkx s ILE 464 Ca 0.02 1.98 0.08 0.00 0.00 0.00 0.00 60.65 62.74 1hkx s ILE 464 Cb -0.06 -4.29 -0.22 0.00 0.01 0.00 0.00 42.46 37.91 1hkx s ILE 464 CO -0.00 0.02 0.11 0.55 0.00 0.00 0.00 174.94 175.61 1hkx n VAL 465 N 4.54 1.52 -3.65 2.92 3.14 -0.42 -1.59 118.33 124.79 1hkx n VAL 465 Ca 0.08 -0.72 -0.15 0.00 -2.96 0.00 0.00 64.34 60.58 1hkx n VAL 465 Cb 0.49 -1.06 -0.07 0.00 -1.06 0.00 0.00 33.84 32.13 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 -2.53 -0.43 -0.03 1.45 5.65 -1.23 -0.63 115.29 117.54 1hkx s HIS 466 Ca -0.19 0.75 -0.15 0.00 0.25 0.00 0.00 55.06 55.71 1hkx s HIS 466 Cb 0.07 0.25 0.03 0.00 -1.18 0.00 0.00 32.58 31.75 1hkx s HIS 466 CO 0.74 -0.48 0.33 -0.59 -0.65 0.00 0.00 174.74 174.09 1hkx s PHE 467 N -1.15 -0.22 -0.10 3.88 -0.12 -0.75 -0.91 117.98 118.62 1hkx s PHE 467 Ca -0.11 0.37 0.01 0.00 -0.05 0.00 0.00 56.93 57.15 1hkx s PHE 467 Cb -0.03 0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1hkx s PHE 467 CO 0.07 -0.38 -0.10 -1.58 -0.05 0.00 0.00 175.22 173.18 1hkx s HIS 468 N -1.18 1.50 -0.06 3.49 2.46 -0.22 -1.40 115.29 119.87 1hkx s HIS 468 Ca -0.12 -0.68 0.06 0.00 0.47 0.00 0.00 55.06 54.78 1hkx s HIS 468 Cb -0.05 -1.18 -0.01 0.00 -0.13 0.00 0.00 32.58 31.21 1hkx s HIS 468 CO 0.04 -0.42 -0.24 0.50 -2.47 0.00 0.00 174.74 172.15 1hkx s ARG 469 N 1.26 2.54 -0.03 2.88 3.52 0.12 -1.59 118.95 127.65 1hkx s ARG 469 Ca -0.03 -0.87 0.06 0.00 -0.13 0.00 0.00 55.73 54.76 1hkx s ARG 469 Cb -0.14 -2.12 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 1hkx s ARG 469 CO -0.03 0.34 -0.22 -1.12 -0.81 0.00 0.00 175.30 173.46 1hkx s SER 470 N -0.07 2.65 0.00 -2.12 0.01 -0.02 -4.11 113.70 110.04 1hkx s SER 470 Ca -0.06 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1hkx s SER 470 Cb -0.14 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.57 1hkx s SER 470 CO 0.04 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1hkx n GLY 471 N 2.79 1.25 0.00 3.44 0.00 -1.26 -0.40 105.19 111.01 1hkx n GLY 471 Ca -0.17 -0.80 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 -1.00 0.00 -0.22 4.61 0.00 -1.26 -4.89 120.51 117.75 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 -0.22 0.00 -2.54 0.00 -0.02 -1.26 -4.83 135.00 126.13 1hkx n PRO 473 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 1hkx n PRO 473 Cb 0.00 -0.01 0.08 0.00 -0.02 0.00 0.00 33.50 33.55 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 0.00 1.54 0.00 2.55 7.64 -1.26 -5.09 113.62 119.00 1hkx n SER 474 Ca 0.00 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1hkx n SER 474 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1hkx n SER 474 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55