#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hrh s GLN 428 N 0.00 0.03 0.01 -3.48 -0.21 -1.26 -5.07 119.66 109.68 1hrh s GLN 428 Ca 0.00 0.19 -0.29 0.00 0.02 0.00 0.00 55.36 55.28 1hrh s GLN 428 Cb 0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.85 1hrh s GLN 428 CO 0.00 -0.10 0.92 -0.51 -2.12 0.00 0.00 175.29 173.48 1hrh s LEU 429 N 0.68 4.39 1.28 2.90 1.02 -1.26 -4.45 118.68 123.24 1hrh s LEU 429 Ca -0.05 1.60 -0.19 0.00 0.02 0.00 0.00 54.13 55.50 1hrh s LEU 429 Cb -0.08 -3.48 0.31 0.00 0.02 0.00 0.00 46.19 42.97 1hrh s LEU 429 CO -0.02 -0.19 1.02 -1.61 0.02 0.00 0.00 176.35 175.57 1hrh s GLU 430 N 0.75 -1.79 0.00 1.70 0.41 -0.87 -4.97 118.70 113.93 1hrh s GLU 430 Ca 0.48 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 55.21 1hrh s GLU 430 Cb -0.21 -1.51 0.00 0.00 -1.78 0.00 0.00 34.13 30.63 1hrh s GLU 430 CO 0.27 -4.13 0.20 1.63 -0.49 0.00 0.00 175.26 172.73 1hrh n LYS 431 N -5.10 3.59 -4.09 1.61 5.02 -1.26 -4.76 118.16 113.16 1hrh n LYS 431 Ca 0.11 -0.20 -0.08 0.00 -2.02 0.00 0.00 58.31 56.12 1hrh n LYS 431 Cb 0.59 -0.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.81 1hrh n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hrh s GLU 432 N -0.57 0.62 0.25 1.97 0.41 -1.26 -5.10 118.70 115.02 1hrh s GLU 432 Ca 0.00 -1.17 -0.31 0.00 -0.41 0.00 0.00 54.97 53.07 1hrh s GLU 432 Cb 0.00 0.10 -0.13 0.00 -1.78 0.00 0.00 34.13 32.33 1hrh s GLU 432 CO 0.00 -0.08 1.52 -2.30 -0.49 0.00 0.00 175.26 173.91 1hrh n PRO 433 N 0.25 2.34 -2.61 0.39 -0.02 -1.26 -4.81 135.00 129.28 1hrh n PRO 433 Ca -0.15 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1hrh n PRO 433 Cb 0.60 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1hrh n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1hrh s ILE 434 N 0.18 4.61 -0.04 4.25 1.01 -1.26 -5.02 121.20 124.92 1hrh s ILE 434 Ca 0.69 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.95 1hrh s ILE 434 Cb -0.59 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 1hrh s ILE 434 CO 0.46 -0.09 1.25 -0.69 0.00 0.00 0.00 174.94 175.88 1hrh s VAL 435 N 2.71 4.11 0.00 2.92 1.01 -1.26 -2.92 120.40 126.98 1hrh s VAL 435 Ca 0.48 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1hrh s VAL 435 Cb -0.18 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1hrh s VAL 435 CO 0.13 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1hrh n GLY 436 N 3.43 0.92 3.85 4.51 0.00 -1.26 -5.08 105.19 111.57 1hrh n GLY 436 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1hrh n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hrh s ALA 437 N -2.28 3.63 0.16 4.61 0.00 -1.15 -5.07 121.76 121.65 1hrh s ALA 437 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1hrh s ALA 437 Cb 0.00 -2.45 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1hrh s ALA 437 CO 0.00 0.48 0.95 -2.00 0.00 0.00 0.00 175.76 175.20 1hrh s GLU 438 N -1.85 4.75 -0.22 0.00 2.12 -1.26 -4.78 118.70 117.46 1hrh s GLU 438 Ca 0.35 1.47 -0.11 0.00 0.36 0.00 0.00 54.97 57.04 1hrh s GLU 438 Cb -0.15 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 1hrh s GLU 438 CO 0.18 0.32 0.17 0.99 -0.54 0.00 0.00 175.26 176.38 1hrh s THR 439 N -0.40 5.37 -0.29 -1.70 2.01 -1.26 -2.77 115.64 116.60 1hrh s THR 439 Ca 0.45 0.23 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1hrh s THR 439 Cb -0.24 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1hrh s THR 439 CO 0.31 0.37 0.17 -0.36 -0.69 0.00 0.00 174.62 174.42 1hrh s PHE 440 N 0.81 3.19 -0.70 4.92 0.40 0.11 -2.14 117.98 124.57 1hrh s PHE 440 Ca 0.09 -0.07 -0.19 0.00 -0.60 0.00 0.00 56.93 56.16 1hrh s PHE 440 Cb -0.13 -2.37 0.12 0.00 0.51 0.00 0.00 43.02 41.15 1hrh s PHE 440 CO 0.02 -0.24 0.85 0.71 0.70 0.00 0.00 175.22 177.26 1hrh s TYR 441 N 1.72 3.04 0.41 0.36 2.02 0.10 -2.18 117.35 122.82 1hrh s TYR 441 Ca 0.07 -1.09 -0.08 0.00 -0.37 0.00 0.00 57.07 55.60 1hrh s TYR 441 Cb -0.16 -4.11 -0.05 0.00 -0.40 0.00 0.00 41.96 37.24 1hrh s TYR 441 CO 0.09 -1.37 0.74 0.54 -1.57 0.00 0.00 175.55 173.98 1hrh s VAL 442 N 2.68 4.87 -0.21 0.71 0.11 -1.19 -2.21 120.40 125.17 1hrh s VAL 442 Ca 0.19 0.38 -0.34 0.00 -2.93 0.00 0.00 61.98 59.28 1hrh s VAL 442 Cb -0.17 -3.78 0.15 0.00 -1.53 0.00 0.00 36.38 31.05 1hrh s VAL 442 CO 0.02 -0.60 1.22 -0.62 -3.33 0.00 0.00 175.10 171.80 1hrh s ASP 443 N -3.48 -0.14 0.08 3.54 -1.08 -0.40 -4.62 116.67 110.57 1hrh s ASP 443 Ca 0.49 0.04 -0.17 0.00 -0.52 0.00 0.00 52.55 52.39 1hrh s ASP 443 Cb -0.10 0.13 0.04 0.00 -1.46 0.00 0.00 42.92 41.53 1hrh s ASP 443 CO 0.36 -0.20 0.41 -0.83 0.52 0.00 0.00 175.17 175.42 1hrh s GLY 444 N -1.88 -0.27 -0.28 2.66 0.00 -1.26 -0.72 107.32 105.57 1hrh s GLY 444 Ca 0.08 0.14 -0.24 0.00 0.00 0.00 0.00 44.72 44.71 1hrh s GLY 444 CO -0.05 -0.12 1.03 0.00 0.00 0.00 0.00 173.10 173.97 1hrh s ALA 445 N -3.08 -2.01 0.03 3.20 0.00 -0.15 -4.70 121.76 115.06 1hrh s ALA 445 Ca -0.02 1.91 0.02 0.00 0.00 0.00 0.00 51.96 53.88 1hrh s ALA 445 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1hrh s ALA 445 CO -0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 175.76 175.38 1hrh s ALA 446 N 0.36 0.51 -0.42 0.00 0.00 -1.26 -1.99 121.76 118.97 1hrh s ALA 446 Ca 0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 1hrh s ALA 446 Cb -0.05 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1hrh s ALA 446 CO -0.07 -0.00 1.13 1.21 0.00 0.00 0.00 175.76 178.02 1hrh s ASN 447 N -1.25 6.73 0.66 0.00 3.84 1.13 -4.82 114.94 121.23 1hrh s ASN 447 Ca -0.08 0.70 0.40 0.00 0.21 0.00 0.00 52.86 54.09 1hrh s ASN 447 Cb -0.08 -2.55 2.19 0.00 -0.55 0.00 0.00 41.25 40.26 1hrh s ASN 447 CO 0.00 -1.13 2.25 0.08 -2.79 0.00 0.00 177.10 175.52 1hrh h ARG 448 N 8.88 0.00 0.00 0.43 -0.00 -1.93 1.89 114.38 123.66 1hrh h ARG 448 Ca -0.22 0.00 -0.38 0.00 -0.00 0.00 0.00 59.98 59.38 1hrh h ARG 448 Cb 1.06 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.97 1hrh h ARG 448 CO 1.09 0.00 -2.38 0.39 -0.00 0.00 0.00 179.97 179.07 1hrh n GLU 449 N -3.13 0.58 0.11 0.08 1.02 -1.26 -4.57 120.64 113.47 1hrh n GLU 449 Ca -0.03 0.17 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 1hrh n GLU 449 Cb 0.15 -1.45 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 1hrh n GLU 449 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1hrh h THR 450 N -0.30 0.39 -3.76 2.62 1.35 -1.95 -3.48 112.91 107.78 1hrh h THR 450 Ca -0.57 -1.64 -0.33 0.00 -0.55 0.00 0.00 66.41 63.32 1hrh h THR 450 Cb 1.74 2.00 0.05 0.00 -1.73 0.00 0.00 68.15 70.21 1hrh h THR 450 CO -0.19 0.22 -0.50 2.29 -0.25 0.00 0.00 175.52 177.10 1hrh n LYS 451 N -2.96 -4.08 -3.86 4.72 0.00 0.64 -4.73 118.16 107.89 1hrh n LYS 451 Ca -0.02 0.75 -0.37 0.00 -0.00 0.00 0.00 58.31 58.67 1hrh n LYS 451 Cb 0.69 -5.26 -0.06 0.00 -0.00 0.00 0.00 35.03 30.40 1hrh n LYS 451 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1hrh s LEU 452 N -5.55 4.39 0.13 -5.58 1.43 -1.21 0.03 118.68 112.32 1hrh s LEU 452 Ca 0.25 0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 53.59 1hrh s LEU 452 Cb -0.11 -2.17 0.07 0.00 0.03 0.00 0.00 46.19 44.01 1hrh s LEU 452 CO 0.31 0.39 0.73 -0.83 0.23 0.00 0.00 176.35 177.18 1hrh s GLY 453 N -1.15 -0.46 0.08 -3.19 0.00 -0.82 0.36 107.32 102.14 1hrh s GLY 453 Ca 0.17 0.48 0.09 0.00 0.00 0.00 0.00 44.72 45.46 1hrh s GLY 453 CO 0.06 0.15 -0.24 0.54 0.00 0.00 0.00 173.10 173.61 1hrh s LYS 454 N -3.56 1.47 -0.00 2.90 1.02 -0.84 0.27 119.74 121.00 1hrh s LYS 454 Ca 0.05 -1.16 -0.00 0.00 0.02 0.00 0.00 55.97 54.87 1hrh s LYS 454 Cb -0.02 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1hrh s LYS 454 CO -0.07 0.43 0.01 0.00 -0.92 0.00 0.00 175.35 174.80 1hrh s ALA 455 N -0.95 -0.02 0.00 5.17 0.00 -0.23 -0.98 121.76 124.75 1hrh s ALA 455 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1hrh s ALA 455 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1hrh s ALA 455 CO 0.04 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1hrh n GLY 456 N 3.09 -1.23 3.46 0.00 0.00 0.10 -0.33 105.19 110.28 1hrh n GLY 456 Ca -0.12 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1hrh n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hrh s TYR 457 N -3.00 0.63 -0.03 1.61 -0.85 -0.75 -1.28 117.35 113.69 1hrh s TYR 457 Ca 0.00 -0.95 -0.00 0.00 -0.52 0.00 0.00 57.07 55.60 1hrh s TYR 457 Cb 0.00 -0.06 0.03 0.00 0.38 0.00 0.00 41.96 42.31 1hrh s TYR 457 CO 0.00 -0.88 0.02 0.08 -1.52 0.00 0.00 175.55 173.25 1hrh s VAL 458 N -4.04 0.07 0.23 -3.49 1.01 -0.94 -1.21 120.40 112.02 1hrh s VAL 458 Ca 0.28 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.55 1hrh s VAL 458 Cb 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1hrh s VAL 458 CO 0.10 0.15 -0.01 0.42 0.00 0.00 0.00 175.10 175.76 1hrh s THR 459 N 1.38 3.49 -0.55 3.92 -4.23 -0.70 0.01 115.64 118.95 1hrh s THR 459 Ca -0.05 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 1hrh s THR 459 Cb -0.13 -2.82 0.07 0.00 1.34 0.00 0.00 72.50 70.97 1hrh s THR 459 CO -0.03 -0.27 1.16 -0.46 -0.54 0.00 0.00 174.62 174.49 1hrh n ASN 460 N -0.56 0.19 -0.76 3.99 6.94 -0.91 -1.15 115.26 123.01 1hrh n ASN 460 Ca -0.08 0.53 0.12 0.00 -0.02 0.00 0.00 54.58 55.13 1hrh n ASN 460 Cb 0.57 -0.54 0.18 0.00 -2.36 0.00 0.00 39.78 37.63 1hrh n ASN 460 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1hrh n LYS 461 N -1.73 1.96 -0.85 -3.83 3.00 -1.26 -4.97 118.16 110.49 1hrh n LYS 461 Ca -0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 1hrh n LYS 461 Cb 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.67 1hrh n LYS 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hrh n GLY 462 N 1.33 0.50 3.77 3.14 0.00 -0.30 -5.07 105.19 108.56 1hrh n GLY 462 Ca 0.14 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1hrh n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hrh s ARG 463 N -1.37 4.64 0.13 1.61 3.52 -1.26 -4.89 118.95 121.33 1hrh s ARG 463 Ca 0.00 1.31 -0.07 0.00 -0.13 0.00 0.00 55.73 56.84 1hrh s ARG 463 Cb 0.00 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 1hrh s ARG 463 CO 0.00 0.42 0.20 -0.65 -0.81 0.00 0.00 175.30 174.45 1hrh s GLN 464 N -1.61 1.01 -0.19 5.12 -0.21 -1.26 -1.72 119.66 120.79 1hrh s GLN 464 Ca 0.44 -1.19 -0.28 0.00 0.02 0.00 0.00 55.36 54.35 1hrh s GLN 464 Cb -0.22 0.33 0.12 0.00 1.00 0.00 0.00 33.01 34.24 1hrh s GLN 464 CO 0.27 -0.34 0.96 0.21 -2.12 0.00 0.00 175.29 174.27 1hrh s LYS 465 N -3.96 0.63 -0.12 2.91 2.20 -0.35 -4.97 119.74 116.08 1hrh s LYS 465 Ca 0.16 0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 56.05 1hrh s LYS 465 Cb 0.05 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1hrh s LYS 465 CO -0.02 -0.16 0.28 0.08 -0.36 0.00 0.00 175.35 175.17 1hrh s VAL 466 N -0.61 -0.04 -0.02 4.02 1.01 -1.26 -1.81 120.40 121.70 1hrh s VAL 466 Ca -0.01 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1hrh s VAL 466 Cb -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1hrh s VAL 466 CO -0.00 0.06 -0.16 -0.69 0.00 0.00 0.00 175.10 174.30 1hrh s VAL 467 N 1.27 1.30 -0.12 2.92 1.01 0.55 -4.97 120.40 122.36 1hrh s VAL 467 Ca -0.09 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1hrh s VAL 467 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1hrh s VAL 467 CO -0.09 0.37 0.60 -2.16 0.00 0.00 0.00 175.10 173.82 1hrh s PRO 468 N -0.28 4.35 0.06 2.72 0.04 -1.26 -1.06 135.00 139.56 1hrh s PRO 468 Ca 0.04 0.65 0.09 0.00 0.04 0.00 0.00 61.00 61.82 1hrh s PRO 468 Cb -0.07 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 1hrh s PRO 468 CO -0.00 0.03 -0.23 -0.51 0.04 0.00 0.00 177.00 176.33 1hrh s LEU 469 N 0.99 2.36 -0.18 -3.56 1.43 0.76 -4.95 118.68 115.53 1hrh s LEU 469 Ca 0.31 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1hrh s LEU 469 Cb -0.16 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1hrh s LEU 469 CO 0.13 0.25 -0.08 -0.89 0.23 0.00 0.00 176.35 175.99 1hrh s THR 470 N -0.89 3.24 -0.63 5.49 2.01 -1.26 -1.95 115.64 121.65 1hrh s THR 470 Ca 0.13 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 1hrh s THR 470 Cb -0.10 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1hrh s THR 470 CO 0.04 0.47 0.58 0.59 -0.69 0.00 0.00 174.62 175.61 1hrh n ASN 471 N 4.20 -6.01 -4.12 3.53 5.03 0.10 -5.03 115.26 112.97 1hrh n ASN 471 Ca -0.18 -0.22 -0.11 0.00 0.87 0.00 0.00 54.58 54.94 1hrh n ASN 471 Cb 0.52 -4.13 -0.09 0.00 -1.02 0.00 0.00 39.78 35.06 1hrh n ASN 471 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1hrh s THR 472 N -3.10 0.02 0.46 3.41 -1.32 -0.99 -5.05 115.64 109.07 1hrh s THR 472 Ca 0.12 -1.78 0.06 0.00 -1.21 0.00 0.00 61.69 58.89 1hrh s THR 472 Cb -0.02 -2.28 -0.01 0.00 -1.51 0.00 0.00 72.50 68.68 1hrh s THR 472 CO 0.55 -0.11 0.30 0.42 -2.21 0.00 0.00 174.62 173.58 1hrh s THR 473 N -4.09 2.12 0.39 5.08 -4.23 -1.26 -4.67 115.64 108.98 1hrh s THR 473 Ca 0.30 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1hrh s THR 473 Cb 0.05 -2.66 0.23 0.00 1.34 0.00 0.00 72.50 71.45 1hrh s THR 473 CO 0.08 0.00 2.00 -0.55 -0.54 0.00 0.00 174.62 175.61 1hrh h ASN 474 N 1.08 0.46 -0.10 3.99 -1.07 -1.93 -0.95 115.58 117.07 1hrh h ASN 474 Ca -0.40 -0.04 -0.19 0.00 0.07 0.00 0.00 56.30 55.73 1hrh h ASN 474 Cb 1.28 -0.12 0.01 0.00 -2.07 0.00 0.00 38.32 37.42 1hrh h ASN 474 CO 0.62 0.41 -0.70 1.56 0.07 0.00 0.00 177.43 179.39 1hrh h GLN 475 N 0.52 0.64 -0.43 4.14 7.50 -1.96 -2.33 115.11 123.20 1hrh h GLN 475 Ca 0.13 -0.56 -0.14 0.00 0.50 0.00 0.00 58.65 58.57 1hrh h GLN 475 Cb 0.08 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.73 1hrh h GLN 475 CO -0.02 1.18 -0.30 0.87 -1.50 0.00 0.00 178.83 179.06 1hrh h LYS 476 N 0.30 0.95 -0.17 1.46 1.57 -1.84 -2.08 116.57 116.76 1hrh h LYS 476 Ca -0.06 -0.45 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1hrh h LYS 476 Cb 1.35 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 1hrh h LYS 476 CO 0.14 1.11 -0.09 1.79 -0.57 0.00 0.00 179.45 181.84 1hrh h THR 477 N 0.80 0.73 -0.97 -0.16 1.35 -1.13 -0.83 112.91 112.69 1hrh h THR 477 Ca 0.09 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.03 1hrh h THR 477 Cb 0.88 0.73 -0.07 0.00 -1.73 0.00 0.00 68.15 67.95 1hrh h THR 477 CO 0.08 0.00 0.61 -0.33 -0.25 0.00 0.00 175.52 175.63 1hrh h GLU 478 N -0.07 1.03 0.00 4.72 4.39 -1.32 -1.02 114.58 122.31 1hrh h GLU 478 Ca 0.09 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1hrh h GLU 478 Cb 0.21 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1hrh h GLU 478 CO -0.21 0.68 -0.28 1.25 -1.16 0.00 0.00 179.01 179.29 1hrh h LEU 479 N 1.06 0.00 0.05 1.33 5.85 -1.02 -2.81 115.31 119.77 1hrh h LEU 479 Ca 0.44 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.07 1hrh h LEU 479 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1hrh h LEU 479 CO -0.21 0.28 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.11 1hrh h GLN 480 N 0.00 0.10 -0.58 1.25 5.75 -0.31 -2.53 115.11 118.79 1hrh h GLN 480 Ca -0.00 -0.17 0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1hrh h GLN 480 Cb 0.89 0.06 -0.11 0.00 1.07 0.00 0.00 27.48 29.39 1hrh h GLN 480 CO 0.04 1.08 -0.22 0.00 -2.65 0.00 0.00 178.83 177.07 1hrh h ALA 481 N -0.03 0.22 -0.28 3.38 0.00 -1.12 0.10 119.26 121.53 1hrh h ALA 481 Ca -0.09 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1hrh h ALA 481 Cb 1.26 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 1hrh h ALA 481 CO 0.03 -0.53 -0.03 0.82 0.00 0.00 0.00 179.25 179.54 1hrh h ILE 482 N -0.08 0.76 -0.49 0.00 2.04 -1.55 -0.90 117.51 117.29 1hrh h ILE 482 Ca 0.27 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.18 1hrh h ILE 482 Cb 0.50 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1hrh h ILE 482 CO -0.64 0.01 0.14 0.22 0.00 0.00 0.00 178.15 177.88 1hrh h TYR 483 N 0.05 0.23 -0.41 1.37 3.20 -0.76 0.36 116.97 121.00 1hrh h TYR 483 Ca 0.13 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1hrh h TYR 483 Cb 0.19 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1hrh h TYR 483 CO -0.24 0.05 0.20 -0.07 -1.64 0.00 0.00 178.16 176.46 1hrh h LEU 484 N 0.29 0.28 -0.56 2.82 4.07 0.27 -0.70 115.31 121.78 1hrh h LEU 484 Ca 0.24 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.28 1hrh h LEU 484 Cb 0.29 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 1hrh h LEU 484 CO -0.28 0.20 0.28 0.00 -1.08 0.00 0.00 178.44 177.57 1hrh h ALA 485 N 1.22 0.73 -0.87 1.53 0.00 0.13 -1.57 119.26 120.43 1hrh h ALA 485 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1hrh h ALA 485 Cb 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1hrh h ALA 485 CO -0.13 -0.07 0.58 -0.07 0.00 0.00 0.00 179.25 179.56 1hrh h LEU 486 N 0.54 1.00 -0.06 0.00 3.38 0.35 -3.03 115.31 117.49 1hrh h LEU 486 Ca 0.25 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 1hrh h LEU 486 Cb 0.18 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.70 1hrh h LEU 486 CO -0.18 0.72 -0.93 1.56 0.09 0.00 0.00 178.44 179.70 1hrh h GLN 487 N 1.18 0.74 -0.66 1.13 4.20 -0.31 -3.32 115.11 118.07 1hrh h GLN 487 Ca 0.32 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1hrh h GLN 487 Cb -0.13 0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1hrh h GLN 487 CO -0.07 1.30 0.00 -0.25 -0.67 0.00 0.00 178.83 179.14 1hrh n ASP 488 N -3.90 2.42 -0.01 1.46 9.92 -0.67 -4.71 116.55 121.07 1hrh n ASP 488 Ca -0.10 -2.24 -0.01 0.00 -0.53 0.00 0.00 54.79 51.91 1hrh n ASP 488 Cb 0.83 -0.45 -0.01 0.00 -0.64 0.00 0.00 41.12 40.85 1hrh n ASP 488 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1hrh n SER 489 N 0.28 3.43 0.00 -2.24 3.41 -1.20 -5.05 113.62 112.25 1hrh n SER 489 Ca 0.10 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1hrh n SER 489 Cb 0.50 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1hrh n SER 489 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hrh n GLY 490 N 3.35 3.37 0.39 5.00 0.00 -1.26 -4.76 105.19 111.28 1hrh n GLY 490 Ca -0.03 -1.86 0.19 0.00 0.00 0.00 0.00 46.02 44.32 1hrh n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hrh h LEU 491 N 0.00 0.00 -7.96 0.99 3.38 -1.92 -3.39 115.31 106.40 1hrh h LEU 491 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1hrh h LEU 491 Cb 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.41 1hrh h LEU 491 CO 0.00 0.00 -0.82 -1.61 0.09 0.00 0.00 178.44 176.10 1hrh s GLU 492 N -4.46 1.77 -0.04 1.13 2.02 -1.25 0.18 118.70 118.05 1hrh s GLU 492 Ca -0.04 -0.42 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 1hrh s GLU 492 Cb 0.13 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.88 1hrh s GLU 492 CO 0.46 -0.01 0.10 0.14 0.02 0.00 0.00 175.26 175.97 1hrh s VAL 493 N 0.80 -0.00 -0.29 2.63 -7.23 -0.84 -4.54 120.40 110.93 1hrh s VAL 493 Ca -0.12 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 1hrh s VAL 493 Cb -0.15 -0.15 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1hrh s VAL 493 CO 0.02 0.00 0.14 0.20 -0.31 0.00 0.00 175.10 175.15 1hrh s ASN 494 N 0.07 5.53 0.01 4.85 0.01 -1.12 -1.65 114.94 122.66 1hrh s ASN 494 Ca -0.00 -0.35 0.05 0.00 -0.71 0.00 0.00 52.86 51.85 1hrh s ASN 494 Cb -0.01 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 1hrh s ASN 494 CO 0.00 -0.13 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.70 1hrh s ILE 495 N 1.64 3.15 -0.18 0.60 1.01 0.23 0.04 121.20 127.68 1hrh s ILE 495 Ca 0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 1hrh s ILE 495 Cb -0.16 -2.33 0.05 0.00 0.01 0.00 0.00 42.46 40.03 1hrh s ILE 495 CO 0.06 0.40 0.01 0.68 0.00 0.00 0.00 174.94 176.10 1hrh s VAL 496 N -0.92 0.67 0.34 2.92 -7.23 -0.93 -1.22 120.40 114.04 1hrh s VAL 496 Ca 0.15 -0.55 0.08 0.00 -1.81 0.00 0.00 61.98 59.85 1hrh s VAL 496 Cb -0.11 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1hrh s VAL 496 CO 0.05 -0.11 0.14 0.42 -0.31 0.00 0.00 175.10 175.29 1hrh s THR 497 N 1.80 2.97 0.00 5.32 -4.23 -0.20 -3.15 115.64 118.15 1hrh s THR 497 Ca -0.01 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1hrh s THR 497 Cb -0.16 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1hrh s THR 497 CO -0.07 -0.18 0.98 -0.90 -0.54 0.00 0.00 174.62 173.91 1hrh n ASP 498 N -1.14 1.93 -4.51 3.99 5.68 -1.24 1.00 116.55 122.26 1hrh n ASP 498 Ca -0.03 -1.96 -0.43 0.00 -0.50 0.00 0.00 54.79 51.88 1hrh n ASP 498 Cb 0.61 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.51 1hrh n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1hrh s SER 499 N -0.96 6.24 0.37 -1.12 0.15 -1.26 -4.79 113.70 112.33 1hrh s SER 499 Ca 0.00 -0.48 0.16 0.00 0.70 0.00 0.00 55.95 56.34 1hrh s SER 499 Cb 0.00 -2.25 0.71 0.00 -1.71 0.00 0.00 66.02 62.77 1hrh s SER 499 CO 0.00 -0.59 1.77 1.56 1.20 0.00 0.00 173.24 177.18 1hrh h GLN 500 N 8.71 0.00 -0.03 5.44 1.08 -1.93 -0.92 115.11 127.45 1hrh h GLN 500 Ca -0.27 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.94 1hrh h GLN 500 Cb 1.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 1hrh h GLN 500 CO 0.81 0.39 -0.01 -0.92 -0.95 0.00 0.00 178.83 178.15 1hrh h TYR 501 N 0.00 -0.03 -0.02 2.96 3.20 -2.00 -2.14 116.97 118.94 1hrh h TYR 501 Ca -0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 1hrh h TYR 501 Cb 0.81 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 1hrh h TYR 501 CO 0.00 -0.02 -0.87 0.00 -1.64 0.00 0.00 178.16 175.63 1hrh h ALA 502 N 1.02 0.47 0.00 1.82 0.00 -1.92 -3.21 119.26 117.44 1hrh h ALA 502 Ca 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 54.91 54.26 1hrh h ALA 502 Cb 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1hrh h ALA 502 CO -0.04 0.83 -0.17 1.25 0.00 0.00 0.00 179.25 181.12 1hrh h LEU 503 N 0.21 -0.50 -1.32 0.00 5.85 -0.94 -1.57 115.31 117.03 1hrh h LEU 503 Ca -0.06 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1hrh h LEU 503 Cb 1.49 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 1hrh h LEU 503 CO 0.15 -0.24 -0.18 1.23 -0.34 0.00 0.00 178.44 179.06 1hrh h GLY 504 N -0.28 0.26 0.42 3.75 0.00 -1.48 0.69 103.07 106.42 1hrh h GLY 504 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1hrh h GLY 504 CO -0.16 0.16 -0.11 -2.22 0.00 0.00 0.00 176.54 174.20 1hrh h ILE 505 N 0.22 0.64 -0.27 2.60 1.08 -1.52 -2.49 117.51 117.77 1hrh h ILE 505 Ca 0.04 -0.93 0.03 0.00 -0.39 0.00 0.00 64.86 63.62 1hrh h ILE 505 Cb 0.45 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 1hrh h ILE 505 CO 0.03 0.16 0.07 0.40 -0.69 0.00 0.00 178.15 178.12 1hrh h ILE 506 N -0.90 0.90 -0.27 -0.67 2.04 -1.17 -1.81 117.51 115.62 1hrh h ILE 506 Ca -0.03 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1hrh h ILE 506 Cb 0.50 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1hrh h ILE 506 CO 0.05 0.03 0.18 1.56 0.00 0.00 0.00 178.15 179.97 1hrh h GLN 507 N 0.19 0.33 -0.35 2.37 4.20 0.34 -2.47 115.11 119.73 1hrh h GLN 507 Ca 0.12 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.91 1hrh h GLN 507 Cb 0.11 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1hrh h GLN 507 CO -0.15 0.22 0.40 0.00 -0.67 0.00 0.00 178.83 178.64 1hrh h ALA 508 N 1.84 2.01 -5.85 3.87 0.00 -0.84 -3.46 119.26 116.82 1hrh h ALA 508 Ca 0.10 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.64 1hrh h ALA 508 Cb -0.02 0.03 0.12 0.00 0.00 0.00 0.00 17.79 17.92 1hrh h ALA 508 CO -0.02 -0.58 -0.83 1.04 0.00 0.00 0.00 179.25 178.85 1hrh n GLN 509 N -3.65 -4.45 -0.72 0.00 6.02 -0.93 -4.94 117.38 108.71 1hrh n GLN 509 Ca 0.06 0.72 -0.32 0.00 -0.01 0.00 0.00 57.00 57.45 1hrh n GLN 509 Cb 0.56 -5.38 0.15 0.00 1.02 0.00 0.00 30.24 26.59 1hrh n GLN 509 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1hrh n PRO 510 N -4.02 -0.42 -0.06 -1.09 -0.02 -1.26 -4.94 135.00 123.19 1hrh n PRO 510 Ca -0.23 -0.06 -0.05 0.00 -2.02 0.00 0.00 63.50 61.14 1hrh n PRO 510 Cb 0.66 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1hrh n PRO 510 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1hrh n ASP 511 N -3.15 1.61 -4.01 2.55 5.68 -1.26 -5.01 116.55 112.95 1hrh n ASP 511 Ca 0.10 0.54 -0.09 0.00 -0.50 0.00 0.00 54.79 54.85 1hrh n ASP 511 Cb 0.53 -0.81 -0.11 0.00 -1.14 0.00 0.00 41.12 39.59 1hrh n ASP 511 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1hrh s LYS 512 N -2.18 0.39 0.18 0.11 0.00 -1.26 -5.07 119.74 111.90 1hrh s LYS 512 Ca -0.15 -0.76 -0.00 0.00 0.00 0.00 0.00 55.97 55.05 1hrh s LYS 512 Cb 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.93 1hrh s LYS 512 CO 0.22 -0.06 0.08 -1.54 0.00 0.00 0.00 175.35 174.05 1hrh s SER 513 N -1.83 0.47 0.00 0.03 1.04 -1.26 -5.04 113.70 107.12 1hrh s SER 513 Ca -0.10 -1.30 0.27 0.00 0.48 0.00 0.00 55.95 55.30 1hrh s SER 513 Cb -0.06 0.29 1.39 0.00 0.10 0.00 0.00 66.02 67.74 1hrh s SER 513 CO -0.03 -0.75 1.92 -1.84 0.98 0.00 0.00 173.24 173.52 1hrh n GLU 514 N -0.23 0.43 -4.09 4.02 -0.00 -1.26 -4.74 120.64 114.78 1hrh n GLU 514 Ca -0.02 0.03 -0.35 0.00 -0.00 0.00 0.00 57.16 56.82 1hrh n GLU 514 Cb 0.65 -1.50 -0.12 0.00 -0.00 0.00 0.00 31.44 30.47 1hrh n GLU 514 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1hrh s SER 515 N -2.51 5.05 0.18 -1.84 0.15 -1.26 -4.98 113.70 108.48 1hrh s SER 515 Ca 0.27 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.63 1hrh s SER 515 Cb 0.18 -1.86 0.13 0.00 -1.71 0.00 0.00 66.02 62.76 1hrh s SER 515 CO 0.40 0.10 1.65 1.05 1.20 0.00 0.00 173.24 177.64 1hrh h GLU 516 N 7.23 -0.04 -0.09 5.44 4.11 -1.99 0.52 114.58 129.77 1hrh h GLU 516 Ca -0.35 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.10 1hrh h GLU 516 Cb 1.18 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1hrh h GLU 516 CO 0.63 -0.03 -0.36 1.25 0.07 0.00 0.00 179.01 180.58 1hrh h LEU 517 N -0.04 -1.13 -0.22 3.06 6.46 -1.98 0.10 115.31 121.57 1hrh h LEU 517 Ca 0.22 0.13 0.05 0.00 -0.12 0.00 0.00 57.88 58.17 1hrh h LEU 517 Cb 0.38 0.44 -0.07 0.00 -0.73 0.00 0.00 40.66 40.67 1hrh h LEU 517 CO -0.49 -0.32 -0.39 0.58 -0.62 0.00 0.00 178.44 177.20 1hrh h VAL 518 N -0.38 0.17 -1.00 1.05 2.07 -1.80 0.12 116.25 116.48 1hrh h VAL 518 Ca 0.02 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.75 1hrh h VAL 518 Cb 0.45 0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 30.28 1hrh h VAL 518 CO -0.28 0.00 0.60 0.78 0.02 0.00 0.00 177.57 178.68 1hrh h ASN 519 N -0.41 0.74 -0.21 0.57 2.35 0.74 -0.03 115.58 119.33 1hrh h ASN 519 Ca 0.10 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1hrh h ASN 519 Cb 0.59 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1hrh h ASN 519 CO -0.44 0.22 0.05 1.56 -1.65 0.00 0.00 177.43 177.17 1hrh h GLN 520 N 0.70 0.34 -0.87 0.81 4.20 0.16 -2.55 115.11 117.90 1hrh h GLN 520 Ca 0.59 -0.08 0.17 0.00 0.06 0.00 0.00 58.65 59.39 1hrh h GLN 520 Cb 0.99 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.62 1hrh h GLN 520 CO -0.41 0.45 0.44 0.82 -0.67 0.00 0.00 178.83 179.46 1hrh h ILE 521 N 0.16 0.66 -0.66 2.54 2.04 0.79 -1.12 117.51 121.92 1hrh h ILE 521 Ca 0.07 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1hrh h ILE 521 Cb 0.27 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1hrh h ILE 521 CO 0.00 0.10 0.27 0.40 0.00 0.00 0.00 178.15 178.93 1hrh h ILE 522 N 0.58 1.24 -0.59 -0.67 2.04 -1.05 -0.39 117.51 118.66 1hrh h ILE 522 Ca 0.50 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1hrh h ILE 522 Cb 0.78 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1hrh h ILE 522 CO -0.41 0.29 0.29 1.05 0.00 0.00 0.00 178.15 179.37 1hrh h GLU 523 N 0.92 0.86 -0.22 2.37 4.11 -0.84 0.18 114.58 121.95 1hrh h GLU 523 Ca 0.22 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 1hrh h GLU 523 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1hrh h GLU 523 CO -0.02 0.69 0.10 1.96 0.07 0.00 0.00 179.01 181.81 1hrh h GLN 524 N 0.81 0.33 -0.87 1.06 1.08 -0.68 -0.60 115.11 116.25 1hrh h GLN 524 Ca 0.20 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1hrh h GLN 524 Cb 0.12 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 1hrh h GLN 524 CO -0.03 0.36 0.57 -0.07 -0.95 0.00 0.00 178.83 178.72 1hrh h LEU 525 N 0.22 0.98 -0.26 1.46 3.38 -0.27 -0.32 115.31 120.51 1hrh h LEU 525 Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1hrh h LEU 525 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1hrh h LEU 525 CO -0.01 0.71 0.05 0.40 0.09 0.00 0.00 178.44 179.68 1hrh h ILE 526 N 1.16 1.22 -0.28 1.22 2.04 -0.37 -2.90 117.51 119.60 1hrh h ILE 526 Ca 0.32 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1hrh h ILE 526 Cb -0.11 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1hrh h ILE 526 CO -0.08 0.24 0.19 0.11 0.00 0.00 0.00 178.15 178.61 1hrh h LYS 527 N 0.24 0.27 -7.19 2.37 1.57 0.55 -3.45 116.57 110.93 1hrh h LYS 527 Ca 0.08 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.32 1hrh h LYS 527 Cb 0.31 -0.06 0.14 0.00 0.08 0.00 0.00 32.23 32.71 1hrh h LYS 527 CO 0.00 0.18 0.38 0.15 -0.57 0.00 0.00 179.45 179.59 1hrh s LYS 528 N -5.28 2.23 -0.11 3.15 -0.14 -0.85 -4.95 119.74 113.78 1hrh s LYS 528 Ca -0.07 1.64 -0.23 0.00 -1.36 0.00 0.00 55.97 55.96 1hrh s LYS 528 Cb 0.18 -1.86 -0.27 0.00 -1.68 0.00 0.00 37.83 34.20 1hrh s LYS 528 CO 0.71 -1.74 0.68 0.93 -0.76 0.00 0.00 175.35 175.17 1hrh h GLU 529 N -0.33 0.15 -2.89 1.68 5.08 0.15 -3.47 114.58 114.96 1hrh h GLU 529 Ca -0.47 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 57.47 1hrh h GLU 529 Cb 1.28 0.10 -0.28 0.00 0.50 0.00 0.00 28.75 30.35 1hrh h GLU 529 CO 0.50 1.12 -0.40 0.15 -1.00 0.00 0.00 179.01 179.39 1hrh s LYS 530 N -2.36 0.30 -0.11 2.33 1.02 -0.63 -4.99 119.74 115.29 1hrh s LYS 530 Ca -0.19 0.59 -0.04 0.00 0.02 0.00 0.00 55.97 56.36 1hrh s LYS 530 Cb 0.01 -0.03 0.06 0.00 -0.52 0.00 0.00 37.83 37.35 1hrh s LYS 530 CO 0.74 -0.14 0.18 0.54 -0.92 0.00 0.00 175.35 175.75 1hrh s VAL 531 N 1.08 -0.29 -0.22 3.17 0.11 -1.26 -1.98 120.40 121.01 1hrh s VAL 531 Ca -0.08 0.25 -0.10 0.00 -2.93 0.00 0.00 61.98 59.13 1hrh s VAL 531 Cb -0.08 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1hrh s VAL 531 CO -0.08 0.07 0.15 -0.47 -3.33 0.00 0.00 175.10 171.44 1hrh s TYR 532 N 2.32 3.37 -0.16 1.54 5.04 -0.66 -2.05 117.35 126.75 1hrh s TYR 532 Ca 0.03 0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 1hrh s TYR 532 Cb -0.13 -2.21 0.01 0.00 0.35 0.00 0.00 41.96 39.98 1hrh s TYR 532 CO -0.07 0.19 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.98 1hrh s LEU 533 N 0.66 2.30 0.17 6.97 1.98 -1.26 0.75 118.68 130.25 1hrh s LEU 533 Ca 0.08 -0.56 0.10 0.00 -2.89 0.00 0.00 54.13 50.87 1hrh s LEU 533 Cb -0.12 -1.52 -0.04 0.00 0.66 0.00 0.00 46.19 45.17 1hrh s LEU 533 CO 0.01 0.05 -0.22 0.00 -1.89 0.00 0.00 176.35 174.30 1hrh s ALA 534 N 1.00 2.27 -0.06 5.97 0.00 -0.35 -4.95 121.76 125.63 1hrh s ALA 534 Ca -0.02 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.42 1hrh s ALA 534 Cb -0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1hrh s ALA 534 CO -0.05 0.36 -0.09 -0.46 0.00 0.00 0.00 175.76 175.52 1hrh s TRP 535 N -1.72 2.86 0.03 0.00 -0.00 -1.25 -1.03 118.94 117.83 1hrh s TRP 535 Ca 0.17 -0.04 0.01 0.00 -0.00 0.00 0.00 56.10 56.25 1hrh s TRP 535 Cb -0.07 -1.68 -0.02 0.00 -0.00 0.00 0.00 33.47 31.70 1hrh s TRP 535 CO 0.08 0.29 -0.06 0.54 -0.00 0.00 0.00 176.95 177.80 1hrh s VAL 536 N -0.79 0.39 -0.98 5.86 0.11 0.28 -4.92 120.40 120.34 1hrh s VAL 536 Ca 0.12 -0.89 0.27 0.00 -2.93 0.00 0.00 61.98 58.56 1hrh s VAL 536 Cb -0.11 -0.46 0.15 0.00 -1.53 0.00 0.00 36.38 34.43 1hrh s VAL 536 CO 0.01 -0.34 1.73 -0.81 -3.33 0.00 0.00 175.10 172.36 1hrh n PRO 537 N 1.74 0.02 0.00 1.54 -0.04 -1.26 -3.65 135.00 133.35 1hrh n PRO 537 Ca -0.21 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1hrh n PRO 537 Cb 0.55 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1hrh n PRO 537 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hrh n GLY 543 N 1.49 -0.08 0.15 0.55 0.00 -1.26 -4.99 105.19 101.05 1hrh n GLY 543 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 1hrh n GLY 543 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hrh h GLY 544 N 0.00 0.00 1.92 -0.02 0.00 -1.99 -2.37 103.07 100.61 1hrh h GLY 544 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hrh h GLY 544 CO 0.00 0.00 0.03 -0.57 0.00 0.00 0.00 176.54 176.00 1hrh h ASN 545 N 0.00 0.00 0.18 0.19 -1.24 -1.93 -0.40 115.58 112.38 1hrh h ASN 545 Ca -0.01 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.65 1hrh h ASN 545 Cb 1.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.03 1hrh h ASN 545 CO 0.07 0.00 -1.94 -0.62 -1.29 0.00 0.00 177.43 173.65 1hrh n GLU 546 N -2.31 0.75 0.02 6.67 4.71 -0.89 -2.36 120.64 127.22 1hrh n GLU 546 Ca -0.02 0.27 -0.10 0.00 -0.01 0.00 0.00 57.16 57.30 1hrh n GLU 546 Cb 0.07 -1.73 -0.05 0.00 -1.01 0.00 0.00 31.44 28.72 1hrh n GLU 546 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1hrh h GLN 547 N 0.06 -0.07 0.00 3.49 7.50 -1.17 -0.89 115.11 124.03 1hrh h GLN 547 Ca -0.40 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.71 1hrh h GLN 547 Cb 2.04 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 29.58 1hrh h GLN 547 CO 0.09 -0.05 -0.21 -0.24 -1.50 0.00 0.00 178.83 176.92 1hrh h VAL 548 N -0.07 1.14 0.49 -0.54 3.04 -1.27 -2.44 116.25 116.60 1hrh h VAL 548 Ca 0.05 -0.74 -0.02 0.00 -1.01 0.00 0.00 66.70 64.97 1hrh h VAL 548 Cb 0.14 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1hrh h VAL 548 CO -0.11 0.21 -0.24 -0.78 -1.01 0.00 0.00 177.57 175.64 1hrh h ASP 549 N 0.00 -0.56 -0.96 3.17 1.82 -0.94 -2.20 116.42 116.74 1hrh h ASP 549 Ca -0.00 0.02 0.29 0.00 -0.39 0.00 0.00 57.03 56.95 1hrh h ASP 549 Cb 0.38 0.15 -0.18 0.00 0.68 0.00 0.00 39.33 40.36 1hrh h ASP 549 CO 0.03 -0.37 0.12 0.29 -1.61 0.00 0.00 179.24 177.70 1hrh n LYS 550 N -3.98 -0.07 -0.15 0.28 4.76 -0.42 0.21 118.16 118.79 1hrh n LYS 550 Ca -0.08 1.41 -0.11 0.00 -2.87 0.00 0.00 58.31 56.66 1hrh n LYS 550 Cb 0.26 -2.30 -0.01 0.00 -1.84 0.00 0.00 35.03 31.14 1hrh n LYS 550 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hrh h LEU 551 N 0.00 0.87 -0.06 -0.35 3.38 -1.22 -0.31 115.31 117.62 1hrh h LEU 551 Ca 0.63 -0.38 -0.25 0.00 0.09 0.00 0.00 57.88 57.97 1hrh h LEU 551 Cb 1.39 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.92 1hrh h LEU 551 CO -0.87 1.05 -1.00 0.58 0.09 0.00 0.00 178.44 178.29 1hrh h VAL 552 N 0.69 1.31 0.00 1.22 2.07 -0.18 -3.24 116.25 118.12 1hrh h VAL 552 Ca 0.10 -2.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 1hrh h VAL 552 Cb 0.69 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1hrh h VAL 552 CO 0.05 0.70 -0.14 0.28 0.02 0.00 0.00 177.57 178.48 1hrh h SER 553 N 0.36 0.00 -2.60 0.57 0.02 -0.20 -3.42 113.55 108.27 1hrh h SER 553 Ca -0.11 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.30 1hrh h SER 553 Cb 1.65 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.14 1hrh h SER 553 CO 0.19 0.14 1.21 0.00 -1.14 0.00 0.00 176.83 177.23 1hrh s ALA 554 N -4.34 2.68 0.00 3.77 0.00 -0.13 -2.63 121.76 121.11 1hrh s ALA 554 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1hrh s ALA 554 Cb 0.14 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1hrh s ALA 554 CO 0.62 -3.06 0.00 0.41 0.00 0.00 0.00 175.76 173.73 1hrh n GLY 555 N 5.40 1.63 0.00 0.00 0.00 -1.26 -5.04 105.19 105.92 1hrh n GLY 555 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1hrh n GLY 555 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71