#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hvb s ALA 438 N 0.00 0.52 0.12 0.00 0.00 -1.26 -5.23 121.76 115.90 3hvb s ALA 438 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 3hvb s ALA 438 Cb 0.00 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.70 3hvb s ALA 438 CO 0.00 -0.45 0.21 0.00 0.00 0.00 0.00 175.76 175.52 3hvb n GLN 439 N -0.01 0.31 -0.89 0.00 -0.00 -1.26 -5.18 117.38 110.34 3hvb n GLN 439 Ca -0.10 -0.75 0.00 0.00 -0.00 0.00 0.00 57.00 56.14 3hvb n GLN 439 Cb 0.62 0.85 0.00 0.00 -0.00 0.00 0.00 30.24 31.72 3hvb n GLN 439 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3hvb n ARG 440 N -0.17 0.00 0.00 2.61 1.85 -1.26 -5.17 116.66 114.52 3hvb n ARG 440 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3hvb n ARG 440 Cb 0.18 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.59 3hvb n ARG 440 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hvb n GLY 441 N 0.00 1.40 3.40 2.89 0.00 -1.26 -5.04 105.19 106.58 3hvb n GLY 441 Ca 0.00 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 3hvb n GLY 441 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hvb s ASP 442 N 0.00 6.46 0.53 1.61 3.68 -1.26 -4.89 116.67 122.80 3hvb s ASP 442 Ca 0.00 -1.88 0.18 0.00 2.13 0.00 0.00 52.55 52.99 3hvb s ASP 442 Cb 0.00 -2.32 1.37 0.00 -1.45 0.00 0.00 42.92 40.51 3hvb s ASP 442 CO 0.00 -1.01 2.17 0.58 0.13 0.00 0.00 175.17 177.04 3hvb h VAL 443 N 5.65 0.92 -0.35 1.11 2.07 -1.97 -2.10 116.25 121.58 3hvb h VAL 443 Ca -0.06 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 3hvb h VAL 443 Cb 1.05 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3hvb h VAL 443 CO 1.03 0.00 -0.33 0.40 0.02 0.00 0.00 177.57 178.69 3hvb h ILE 444 N 0.00 1.28 0.83 4.57 2.04 -1.90 0.65 117.51 124.98 3hvb h ILE 444 Ca 0.00 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 3hvb h ILE 444 Cb 0.01 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3hvb h ILE 444 CO -0.00 0.49 -0.47 0.00 0.00 0.00 0.00 178.15 178.17 3hvb h ALA 445 N 0.98 -1.29 -0.95 1.87 0.00 -1.85 -2.67 119.26 115.35 3hvb h ALA 445 Ca 0.07 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 54.92 3hvb h ALA 445 Cb 0.87 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 3hvb h ALA 445 CO 0.08 -1.23 0.53 0.82 0.00 0.00 0.00 179.25 179.45 3hvb h ILE 446 N -1.20 0.63 0.67 0.00 2.04 -1.19 0.41 117.51 118.87 3hvb h ILE 446 Ca -0.11 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3hvb h ILE 446 Cb 0.94 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3hvb h ILE 446 CO 0.14 0.11 -0.40 -0.07 0.00 0.00 0.00 178.15 177.93 3hvb h LEU 447 N 0.63 -1.00 -0.90 1.44 3.38 -0.83 0.45 115.31 118.49 3hvb h LEU 447 Ca 0.57 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.71 3hvb h LEU 447 Cb 0.95 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 3hvb h LEU 447 CO -0.43 -0.63 0.52 1.56 0.09 0.00 0.00 178.44 179.55 3hvb h GLN 448 N -1.01 0.78 0.67 1.13 4.20 -0.85 0.31 115.11 120.35 3hvb h GLN 448 Ca -0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3hvb h GLN 448 Cb 0.81 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3hvb h GLN 448 CO 0.10 0.52 -0.47 0.37 -0.67 0.00 0.00 178.83 178.68 3hvb h GLN 449 N 0.81 -1.05 -0.26 1.46 5.75 -0.15 -3.14 115.11 118.54 3hvb h GLN 449 Ca 0.46 0.07 0.07 0.00 -0.15 0.00 0.00 58.65 59.10 3hvb h GLN 449 Cb 0.51 0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 3hvb h GLN 449 CO -0.29 -0.70 0.25 0.00 -2.65 0.00 0.00 178.83 175.44 3hvb h ALA 450 N -0.93 1.98 0.00 3.38 0.00 0.13 0.38 119.26 124.20 3hvb h ALA 450 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hvb h ALA 450 Cb 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hvb h ALA 450 CO 0.05 -0.38 0.00 -0.07 0.00 0.00 0.00 179.25 178.85 3hvb h LEU 451 N 0.00 0.00 0.00 0.00 4.07 -0.95 -1.39 115.31 117.04 3hvb h LEU 451 Ca 0.12 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.78 3hvb h LEU 451 Cb 0.62 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.31 3hvb h LEU 451 CO -0.00 0.00 -2.00 -0.62 -1.08 0.00 0.00 178.44 174.73 3hvb n GLU 452 N -2.66 0.40 0.00 1.13 -0.58 0.04 -4.37 120.64 114.60 3hvb n GLU 452 Ca 0.01 0.17 0.05 0.00 -0.42 0.00 0.00 57.16 56.97 3hvb n GLU 452 Cb 0.27 -1.17 0.24 0.00 -0.57 0.00 0.00 31.44 30.21 3hvb n GLU 452 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3hvb n THR 453 N -3.86 0.69 -4.26 2.62 5.66 -0.69 -4.85 114.28 109.59 3hvb n THR 453 Ca -0.36 0.17 -0.37 0.00 -3.05 0.00 0.00 64.05 60.44 3hvb n THR 453 Cb 0.75 -1.02 -0.03 0.00 -1.55 0.00 0.00 70.33 68.47 3hvb n THR 453 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3hvb n ASN 454 N -1.25 -2.97 0.28 1.09 5.03 -0.56 -4.85 115.26 112.04 3hvb n ASN 454 Ca 0.05 -1.05 0.16 0.00 0.87 0.00 0.00 54.58 54.61 3hvb n ASN 454 Cb 0.07 -2.60 0.83 0.00 -1.02 0.00 0.00 39.78 37.06 3hvb n ASN 454 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 3hvb h SER 455 N -1.43 0.00 -1.35 6.41 0.87 -1.80 -3.45 113.55 112.80 3hvb h SER 455 Ca -0.59 0.00 -0.79 0.00 -1.23 0.00 0.00 61.79 59.18 3hvb h SER 455 Cb 1.38 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.36 3hvb h SER 455 CO 0.79 0.07 0.80 0.49 -0.53 0.00 0.00 176.83 178.45 3hvb n PHE 456 N -3.39 1.92 -3.18 2.24 3.72 -1.26 -4.61 117.46 112.89 3hvb n PHE 456 Ca -0.02 0.76 -0.39 0.00 -0.05 0.00 0.00 57.45 57.75 3hvb n PHE 456 Cb 0.22 -2.37 -0.06 0.00 -0.94 0.00 0.00 39.48 36.33 3hvb n PHE 456 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3hvb s ARG 457 N 3.23 4.27 -0.17 -1.08 3.52 -1.00 -5.03 118.95 122.68 3hvb s ARG 457 Ca 1.00 0.57 -0.12 0.00 -0.13 0.00 0.00 55.73 57.05 3hvb s ARG 457 Cb -1.22 -3.52 -0.05 0.00 -1.56 0.00 0.00 34.95 28.60 3hvb s ARG 457 CO 0.71 -0.08 0.24 -1.17 -0.81 0.00 0.00 175.30 174.18 3hvb s LEU 458 N 1.39 4.24 0.12 -0.88 2.96 -1.26 -1.98 118.68 123.28 3hvb s LEU 458 Ca 0.28 0.42 0.09 0.00 -0.22 0.00 0.00 54.13 54.71 3hvb s LEU 458 Cb -0.16 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 3hvb s LEU 458 CO 0.11 0.14 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.34 3hvb s LEU 459 N 0.35 2.68 -0.05 -0.68 1.43 0.06 -4.78 118.68 117.70 3hvb s LEU 459 Ca 0.14 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3hvb s LEU 459 Cb -0.12 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3hvb s LEU 459 CO 0.02 0.17 -0.15 -0.36 0.23 0.00 0.00 176.35 176.26 3hvb s PHE 460 N -1.19 1.57 -0.13 0.29 0.08 0.24 -0.44 117.98 118.38 3hvb s PHE 460 Ca 0.18 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.78 3hvb s PHE 460 Cb -0.10 -1.08 0.01 0.00 -0.57 0.00 0.00 43.02 41.28 3hvb s PHE 460 CO 0.10 -0.18 -0.18 -1.14 -0.10 0.00 0.00 175.22 173.71 3hvb s GLN 461 N 0.19 2.61 0.22 0.44 0.74 0.02 0.41 119.66 124.28 3hvb s GLN 461 Ca -0.06 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 54.35 3hvb s GLN 461 Cb -0.12 -2.18 -0.08 0.00 1.10 0.00 0.00 33.01 31.73 3hvb s GLN 461 CO 0.02 -0.07 1.13 -2.14 -0.55 0.00 0.00 175.29 173.69 3hvb s PRO 462 N 0.97 4.58 -0.38 1.67 0.02 -1.26 0.12 135.00 140.73 3hvb s PRO 462 Ca -0.05 1.79 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 3hvb s PRO 462 Cb -0.15 -3.23 0.01 0.00 0.02 0.00 0.00 34.50 31.15 3hvb s PRO 462 CO -0.03 0.08 0.24 0.08 -0.33 0.00 0.00 177.00 177.04 3hvb s VAL 463 N -0.52 4.98 0.18 3.83 1.01 0.26 -4.63 120.40 125.50 3hvb s VAL 463 Ca 0.48 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 3hvb s VAL 463 Cb -0.31 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3hvb s VAL 463 CO 0.38 -0.19 0.65 -0.63 0.00 0.00 0.00 175.10 175.30 3hvb s ILE 464 N 1.64 4.68 0.09 2.22 -1.09 0.19 -4.09 121.20 124.84 3hvb s ILE 464 Ca 0.04 1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 59.42 3hvb s ILE 464 Cb -0.19 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 3hvb s ILE 464 CO 0.09 0.27 0.54 -0.55 -1.23 0.00 0.00 174.94 174.06 3hvb s SER 465 N -1.60 6.93 0.00 3.58 0.15 -1.26 -2.13 113.70 119.38 3hvb s SER 465 Ca 0.39 1.15 0.00 0.00 0.70 0.00 0.00 55.95 58.19 3hvb s SER 465 Cb -0.17 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3hvb s SER 465 CO 0.20 0.21 0.00 0.18 1.20 0.00 0.00 173.24 175.03 3hvb n LEU 466 N 1.36 1.85 0.00 3.45 4.77 -0.70 -4.82 117.00 122.91 3hvb n LEU 466 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3hvb n LEU 466 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hvb n LEU 466 CO 0.41 0.31 0.21 0.54 -1.33 0.00 0.00 177.39 177.53 3hvb n ARG 467 N -2.18 0.00 0.00 3.23 3.00 -0.99 -5.01 116.66 114.71 3hvb n ARG 467 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 57.85 57.42 3hvb n ARG 467 Cb 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 32.46 32.43 3hvb n ARG 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hvb n GLY 468 N 0.00 4.43 3.55 -0.13 0.00 -1.23 -5.01 105.19 106.80 3hvb n GLY 468 Ca 0.00 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 3hvb n GLY 468 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hvb n ASP 469 N 0.00 -0.32 0.00 1.61 3.85 -1.26 -5.00 116.55 115.43 3hvb n ASP 469 Ca 0.00 0.58 -0.00 0.00 -0.71 0.00 0.00 54.79 54.66 3hvb n ASP 469 Cb 0.00 -1.33 -0.00 0.00 -1.35 0.00 0.00 41.12 38.43 3hvb n ASP 469 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3hvb h SER 470 N -0.59 -0.02 -0.35 -1.12 4.64 -1.99 -3.43 113.55 110.69 3hvb h SER 470 Ca -0.46 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.90 3hvb h SER 470 Cb 1.33 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3hvb h SER 470 CO 0.44 0.06 -0.05 1.57 -0.87 0.00 0.00 176.83 177.98 3hvb n HIS 471 N -2.53 -1.91 -4.46 4.77 -0.00 -1.26 -4.74 115.22 105.08 3hvb n HIS 471 Ca -0.00 0.17 -0.25 0.00 -0.00 0.00 0.00 57.72 57.64 3hvb n HIS 471 Cb 0.01 -0.31 -0.17 0.00 -0.00 0.00 0.00 29.99 29.52 3hvb n HIS 471 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3hvb s GLU 472 N -0.83 1.75 -0.13 1.57 2.02 -1.10 -5.01 118.70 116.96 3hvb s GLU 472 Ca 0.00 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.60 3hvb s GLU 472 Cb 0.00 -1.50 0.02 0.00 0.10 0.00 0.00 34.13 32.74 3hvb s GLU 472 CO 0.00 -0.03 -0.17 -0.80 0.02 0.00 0.00 175.26 174.27 3hvb s ASN 473 N 0.87 2.74 0.04 -0.19 0.01 -1.26 0.08 114.94 117.23 3hvb s ASN 473 Ca -0.10 -0.51 0.08 0.00 -0.71 0.00 0.00 52.86 51.61 3hvb s ASN 473 Cb -0.15 -1.24 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 3hvb s ASN 473 CO 0.01 0.02 -0.22 -0.31 -1.51 0.00 0.00 177.10 175.09 3hvb s TYR 474 N 1.05 1.94 -0.19 2.20 2.02 -0.91 0.90 117.35 124.37 3hvb s TYR 474 Ca -0.04 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.12 3hvb s TYR 474 Cb -0.15 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 3hvb s TYR 474 CO -0.04 0.09 0.41 -2.00 -1.57 0.00 0.00 175.55 172.44 3hvb s GLU 475 N -1.12 4.19 -0.28 -0.62 2.12 0.34 -0.09 118.70 123.24 3hvb s GLU 475 Ca 0.09 0.24 -0.19 0.00 0.36 0.00 0.00 54.97 55.46 3hvb s GLU 475 Cb -0.09 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 3hvb s GLU 475 CO 0.02 -0.02 0.58 0.54 -0.54 0.00 0.00 175.26 175.83 3hvb s VAL 476 N 1.25 5.00 0.19 3.70 0.11 -0.14 -0.80 120.40 129.71 3hvb s VAL 476 Ca 0.20 0.91 0.05 0.00 -2.93 0.00 0.00 61.98 60.21 3hvb s VAL 476 Cb -0.15 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 3hvb s VAL 476 CO 0.08 -0.02 0.22 -0.76 -3.33 0.00 0.00 175.10 171.29 3hvb s LEU 477 N 2.46 4.01 -0.13 2.54 1.43 0.41 -4.51 118.68 124.89 3hvb s LEU 477 Ca 0.24 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3hvb s LEU 477 Cb -0.15 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3hvb s LEU 477 CO 0.10 0.02 -0.05 -0.22 0.23 0.00 0.00 176.35 176.43 3hvb s LEU 478 N -3.43 3.22 0.15 1.79 1.98 -1.26 -0.76 118.68 120.37 3hvb s LEU 478 Ca 0.33 -0.10 0.10 0.00 -2.89 0.00 0.00 54.13 51.57 3hvb s LEU 478 Cb -0.10 -1.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.96 3hvb s LEU 478 CO 0.26 0.23 -0.23 -0.13 -1.89 0.00 0.00 176.35 174.58 3hvb s ARG 479 N -0.00 1.35 0.05 1.98 3.00 -0.84 -4.94 118.95 119.56 3hvb s ARG 479 Ca 0.00 -1.37 0.09 0.00 0.00 0.00 0.00 55.73 54.45 3hvb s ARG 479 Cb -0.13 -1.68 -0.03 0.00 0.00 0.00 0.00 34.95 33.11 3hvb s ARG 479 CO 0.03 0.38 -0.25 -1.17 0.00 0.00 0.00 175.30 174.29 3hvb s LEU 480 N -2.31 2.27 -0.15 2.53 2.96 -1.26 -2.38 118.68 120.34 3hvb s LEU 480 Ca 0.15 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 3hvb s LEU 480 Cb -0.09 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 3hvb s LEU 480 CO 0.07 0.25 0.05 -0.76 -1.32 0.00 0.00 176.35 174.65 3hvb s LEU 481 N -1.33 3.82 0.44 -0.68 2.01 -1.26 -1.95 118.68 119.73 3hvb s LEU 481 Ca 0.12 0.15 -0.16 0.00 0.01 0.00 0.00 54.13 54.25 3hvb s LEU 481 Cb -0.10 -1.94 -0.09 0.00 0.01 0.00 0.00 46.19 44.08 3hvb s LEU 481 CO 0.03 0.26 0.89 0.54 1.01 0.00 0.00 176.35 179.08 3hvb s ASN 482 N -0.15 6.71 0.47 2.29 2.20 -0.94 -4.92 114.94 120.61 3hvb s ASN 482 Ca 0.07 1.46 0.24 0.00 -0.94 0.00 0.00 52.86 53.69 3hvb s ASN 482 Cb -0.12 -2.45 1.27 0.00 -2.00 0.00 0.00 41.25 37.95 3hvb s ASN 482 CO 0.01 -0.42 1.85 -0.65 -2.94 0.00 0.00 177.10 174.95 3hvb h PRO 483 N 1.49 0.21 -0.77 3.55 0.11 -1.96 -0.75 132.00 133.88 3hvb h PRO 483 Ca -0.48 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 3hvb h PRO 483 Cb 1.18 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 3hvb h PRO 483 CO 0.63 0.14 0.26 0.00 -0.21 0.00 0.00 178.00 178.82 3hvb n GLN 484 N -4.42 3.69 0.00 1.05 10.64 -1.26 -5.00 117.38 122.08 3hvb n GLN 484 Ca 0.20 -2.96 0.00 0.00 -1.83 0.00 0.00 57.00 52.42 3hvb n GLN 484 Cb 0.87 -2.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 3hvb n GLN 484 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hvb n GLY 485 N -0.10 2.39 3.50 2.61 0.00 -0.29 -5.04 105.19 108.26 3hvb n GLY 485 Ca 0.39 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3hvb n GLY 485 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hvb n GLN 486 N 0.00 0.70 -3.34 1.61 1.13 -1.26 -4.33 117.38 111.88 3hvb n GLN 486 Ca 0.00 0.26 -0.38 0.00 -1.94 0.00 0.00 57.00 54.95 3hvb n GLN 486 Cb 0.00 -1.72 -0.06 0.00 0.11 0.00 0.00 30.24 28.57 3hvb n GLN 486 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3hvb s GLU 487 N -1.94 4.08 0.04 -1.09 -1.05 -1.26 -2.20 118.70 115.27 3hvb s GLU 487 Ca 0.66 0.61 -0.23 0.00 -0.15 0.00 0.00 54.97 55.86 3hvb s GLU 487 Cb -0.52 -3.15 -0.06 0.00 -0.44 0.00 0.00 34.13 29.96 3hvb s GLU 487 CO 0.56 0.61 0.68 0.54 0.95 0.00 0.00 175.26 178.59 3hvb s VAL 488 N -1.20 4.78 0.16 1.83 0.11 -0.82 -4.92 120.40 120.33 3hvb s VAL 488 Ca 0.30 1.44 -0.34 0.00 -2.93 0.00 0.00 61.98 60.46 3hvb s VAL 488 Cb -0.18 -4.02 -0.14 0.00 -1.53 0.00 0.00 36.38 30.50 3hvb s VAL 488 CO 0.18 0.41 1.50 -2.65 -3.33 0.00 0.00 175.10 171.21 3hvb n PRO 489 N 2.60 1.92 -0.22 1.54 -0.02 -1.26 -4.48 135.00 135.09 3hvb n PRO 489 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3hvb n PRO 489 Cb 0.50 -2.42 0.24 0.00 -0.02 0.00 0.00 33.50 31.81 3hvb n PRO 489 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hvb h PRO 490 N 5.40 0.99 -0.75 0.52 0.11 -1.93 -1.51 132.00 134.84 3hvb h PRO 490 Ca -0.45 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.67 3hvb h PRO 490 Cb 1.27 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 3hvb h PRO 490 CO 0.85 0.66 0.42 0.00 -0.21 0.00 0.00 178.00 179.72 3hvb h ALA 491 N 1.52 1.03 -0.24 -0.75 0.00 -1.98 0.71 119.26 119.55 3hvb h ALA 491 Ca 0.27 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3hvb h ALA 491 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hvb h ALA 491 CO -0.06 0.08 0.02 1.49 0.00 0.00 0.00 179.25 180.78 3hvb h GLU 492 N 0.74 0.41 0.00 0.00 4.57 -1.67 -2.36 114.58 116.26 3hvb h GLU 492 Ca 0.35 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.32 3hvb h GLU 492 Cb 0.26 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3hvb h GLU 492 CO -0.21 0.57 -0.41 0.27 -1.18 0.00 0.00 179.01 178.04 3hvb h PHE 493 N 0.19 0.00 -0.22 0.92 -5.15 -0.69 -1.77 116.94 110.22 3hvb h PHE 493 Ca 0.07 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.70 3hvb h PHE 493 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.53 3hvb h PHE 493 CO 0.03 0.41 -0.45 -0.07 -2.00 0.00 0.00 178.31 176.23 3hvb h LEU 494 N 0.00 0.59 -0.09 2.10 -0.00 0.46 -2.45 115.31 115.92 3hvb h LEU 494 Ca -0.00 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.88 57.51 3hvb h LEU 494 Cb 1.26 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 3hvb h LEU 494 CO 0.05 0.96 -0.27 0.45 -0.00 0.00 0.00 178.44 179.63 3hvb h HIS 495 N 0.45 0.45 -1.04 1.13 3.86 -1.29 -3.08 115.15 115.64 3hvb h HIS 495 Ca 0.03 -0.18 0.27 0.00 -1.16 0.00 0.00 60.37 59.33 3hvb h HIS 495 Cb 0.96 -0.08 -0.11 0.00 1.06 0.00 0.00 27.41 29.24 3hvb h HIS 495 CO 0.04 0.89 0.64 0.00 0.86 0.00 0.00 177.93 180.36 3hvb h ALA 496 N 0.48 2.05 0.00 2.45 0.00 -1.28 0.29 119.26 123.26 3hvb h ALA 496 Ca -0.01 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hvb h ALA 496 Cb 0.89 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hvb h ALA 496 CO 0.06 -0.51 -0.25 0.00 0.00 0.00 0.00 179.25 178.55 3hvb h ALA 497 N 1.68 1.00 0.00 0.00 0.00 -1.35 -2.39 119.26 118.20 3hvb h ALA 497 Ca 0.63 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 3hvb h ALA 497 Cb 1.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 3hvb h ALA 497 CO -0.39 0.32 -1.82 1.63 0.00 0.00 0.00 179.25 178.98 3hvb n LYS 498 N -3.40 0.64 -0.07 0.00 4.01 0.84 -1.52 118.16 118.67 3hvb n LYS 498 Ca 0.00 0.25 -0.03 0.00 -0.51 0.00 0.00 58.31 58.02 3hvb n LYS 498 Cb 0.46 -1.75 0.21 0.00 -0.51 0.00 0.00 35.03 33.43 3hvb n LYS 498 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3hvb h GLU 499 N 0.00 0.68 -0.65 1.97 5.08 -0.92 -3.01 114.58 117.74 3hvb h GLU 499 Ca -0.33 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3hvb h GLU 499 Cb 2.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3hvb h GLU 499 CO 0.07 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 3hvb n ALA 500 N -2.48 2.93 0.00 3.43 0.00 -0.91 -4.95 120.51 118.53 3hvb n ALA 500 Ca 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.10 3hvb n ALA 500 Cb 0.29 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3hvb n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hvb n GLY 501 N 1.14 1.77 0.54 0.00 0.00 -1.14 -4.83 105.19 102.67 3hvb n GLY 501 Ca 0.23 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.63 3hvb n GLY 501 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hvb h LEU 502 N 0.00 0.13 -0.06 0.99 4.07 -1.68 -3.37 115.31 115.38 3hvb h LEU 502 Ca 0.00 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.01 3hvb h LEU 502 Cb 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 3hvb h LEU 502 CO 0.00 -0.03 -0.04 0.00 -1.08 0.00 0.00 178.44 177.29 3hvb n ALA 503 N -2.70 -0.04 -0.30 1.53 0.00 -0.57 0.93 120.51 119.36 3hvb n ALA 503 Ca 0.33 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 3hvb n ALA 503 Cb 1.41 0.05 0.07 0.00 0.00 0.00 0.00 19.45 20.98 3hvb n ALA 503 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hvb h GLU 504 N 0.00 1.17 -0.86 0.00 4.81 -1.91 -2.46 114.58 115.32 3hvb h GLU 504 Ca 0.01 -0.18 0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3hvb h GLU 504 Cb 0.03 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.13 3hvb h GLU 504 CO -0.06 0.91 0.51 -0.22 -0.73 0.00 0.00 179.01 179.42 3hvb h LYS 505 N 1.15 0.84 -0.51 1.92 3.64 0.27 -1.55 116.57 122.33 3hvb h LYS 505 Ca 0.27 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3hvb h LYS 505 Cb 0.14 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3hvb h LYS 505 CO -0.03 0.56 0.13 0.82 -2.27 0.00 0.00 179.45 178.65 3hvb h ILE 506 N 0.87 1.24 -0.26 2.00 2.04 -1.10 -2.55 117.51 119.74 3hvb h ILE 506 Ca 0.41 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3hvb h ILE 506 Cb 0.34 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3hvb h ILE 506 CO -0.23 0.31 -0.12 0.44 0.00 0.00 0.00 178.15 178.54 3hvb h ASP 507 N 0.70 -0.41 -0.71 1.72 5.19 -0.93 -1.14 116.42 120.84 3hvb h ASP 507 Ca 0.16 0.10 0.10 0.00 -0.62 0.00 0.00 57.03 56.77 3hvb h ASP 507 Cb 0.33 0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 3hvb h ASP 507 CO 0.00 -0.15 0.47 0.03 -3.12 0.00 0.00 179.24 176.47 3hvb h ARG 508 N -0.08 0.57 0.01 3.56 3.08 -1.06 0.19 114.38 120.65 3hvb h ARG 508 Ca 0.14 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hvb h ARG 508 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hvb h ARG 508 CO -0.32 0.38 -0.01 2.35 -1.07 0.00 0.00 179.97 181.31 3hvb h TRP 509 N 0.59 -0.02 0.12 3.04 7.01 -0.90 -1.23 115.95 124.56 3hvb h TRP 509 Ca 0.33 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.34 3hvb h TRP 509 Cb 0.49 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 3hvb h TRP 509 CO -0.00 0.20 -0.19 0.28 -2.79 0.00 0.00 178.44 175.94 3hvb h VAL 510 N -0.23 0.57 -0.81 2.65 2.07 0.09 -1.92 116.25 118.66 3hvb h VAL 510 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3hvb h VAL 510 Cb 0.23 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 3hvb h VAL 510 CO 0.00 0.00 0.38 0.40 0.02 0.00 0.00 177.57 178.37 3hvb h ILE 511 N -0.37 0.69 0.95 4.57 5.03 -0.71 -0.35 117.51 127.31 3hvb h ILE 511 Ca 0.02 -0.19 -0.05 0.00 -0.12 0.00 0.00 64.86 64.53 3hvb h ILE 511 Cb 0.38 0.10 0.01 0.00 -3.03 0.00 0.00 36.82 34.28 3hvb h ILE 511 CO -0.10 0.10 -0.49 -0.07 -0.68 0.00 0.00 178.15 176.92 3hvb h LEU 512 N 0.54 -1.17 0.31 1.44 4.07 -0.48 -2.13 115.31 117.88 3hvb h LEU 512 Ca 0.45 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.45 3hvb h LEU 512 Cb 0.66 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 3hvb h LEU 512 CO -0.39 -0.80 -0.26 0.78 -1.08 0.00 0.00 178.44 176.70 3hvb h ASN 513 N -1.31 -0.67 -0.12 -0.43 2.35 -1.28 -2.28 115.58 111.85 3hvb h ASN 513 Ca -0.13 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3hvb h ASN 513 Cb 1.02 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 3hvb h ASN 513 CO 0.19 -0.38 -0.07 -1.20 -1.65 0.00 0.00 177.43 174.32 3hvb n SER 514 N -5.38 -0.12 -0.32 5.81 7.64 -0.15 0.86 113.62 121.96 3hvb n SER 514 Ca -0.09 0.74 -0.01 0.00 1.01 0.00 0.00 58.87 60.52 3hvb n SER 514 Cb 0.29 -0.29 0.05 0.00 -1.01 0.00 0.00 64.21 63.24 3hvb n SER 514 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hvb h ILE 515 N 0.00 0.07 -0.72 0.44 2.04 -1.20 -0.34 117.51 117.81 3hvb h ILE 515 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 3hvb h ILE 515 Cb 0.05 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.13 3hvb h ILE 515 CO -0.11 0.00 0.37 0.50 0.00 0.00 0.00 178.15 178.91 3hvb h LYS 516 N -0.05 0.61 0.00 2.37 3.11 0.11 0.29 116.57 123.01 3hvb h LYS 516 Ca 0.33 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.12 3hvb h LYS 516 Cb 0.59 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.68 3hvb h LYS 516 CO -0.88 0.41 -0.05 -0.07 -2.81 0.00 0.00 179.45 176.04 3hvb h LEU 517 N 0.63 0.00 0.12 5.20 -0.00 0.40 -2.07 115.31 119.60 3hvb h LEU 517 Ca 0.35 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 58.06 3hvb h LEU 517 Cb 0.34 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.02 3hvb h LEU 517 CO -0.25 0.05 -0.74 0.25 -0.00 0.00 0.00 178.44 177.74 3hvb h LEU 518 N 0.00 0.44 -1.16 1.67 5.85 0.38 -1.50 115.31 120.99 3hvb h LEU 518 Ca -0.00 -0.95 0.11 0.00 0.84 0.00 0.00 57.88 57.88 3hvb h LEU 518 Cb 0.63 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3hvb h LEU 518 CO 0.01 1.35 0.59 0.00 -0.34 0.00 0.00 178.44 180.05 3hvb h ALA 519 N 0.09 1.62 0.00 1.25 0.00 -0.37 0.92 119.26 122.77 3hvb h ALA 519 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hvb h ALA 519 Cb 1.58 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hvb h ALA 519 CO 0.14 0.17 -0.03 1.49 0.00 0.00 0.00 179.25 181.02 3hvb h GLU 520 N 0.90 0.00 0.00 0.00 4.81 -1.34 -2.24 114.58 116.71 3hvb h GLU 520 Ca 0.44 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.31 3hvb h GLU 520 Cb 0.45 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 3hvb h GLU 520 CO -0.20 0.03 -2.24 1.58 -0.73 0.00 0.00 179.01 177.45 3hvb n HIS 521 N -3.13 0.00 -0.05 0.92 -0.00 -0.23 -4.21 115.22 108.52 3hvb n HIS 521 Ca 0.01 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.08 3hvb n HIS 521 Cb 0.37 -0.81 -0.05 0.00 -0.12 0.00 0.00 29.99 29.38 3hvb n HIS 521 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hvb h ARG 522 N -0.50 0.28 -2.09 1.57 3.08 0.74 -2.36 114.38 115.09 3hvb h ARG 522 Ca -0.54 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.33 3hvb h ARG 522 Cb 1.59 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.56 3hvb h ARG 522 CO -0.24 0.42 -0.19 0.00 -1.07 0.00 0.00 179.97 178.88 3hvb n ALA 523 N -2.27 5.07 -1.04 0.04 0.00 -0.84 -2.29 120.51 119.18 3hvb n ALA 523 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.28 3hvb n ALA 523 Cb 0.16 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3hvb n ALA 523 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hvb n LYS 524 N 2.27 0.00 0.00 0.00 3.00 -0.89 -4.83 118.16 117.70 3hvb n LYS 524 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 3hvb n LYS 524 Cb 0.69 -0.28 0.00 0.00 0.00 0.00 0.00 35.03 35.44 3hvb n LYS 524 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hvb n GLY 525 N 0.00 2.15 3.80 3.14 0.00 -0.97 -5.06 105.19 108.25 3hvb n GLY 525 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3hvb n GLY 525 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hvb s HIS 526 N -2.40 3.67 -0.51 1.61 3.76 -1.20 -5.06 115.29 115.17 3hvb s HIS 526 Ca 0.00 0.99 -0.13 0.00 -0.15 0.00 0.00 55.06 55.77 3hvb s HIS 526 Cb 0.00 -2.39 0.12 0.00 1.11 0.00 0.00 32.58 31.42 3hvb s HIS 526 CO 0.00 0.50 0.43 1.14 -0.85 0.00 0.00 174.74 175.95 3hvb s GLN 527 N -0.57 2.77 0.22 1.40 -2.07 -1.26 -3.56 119.66 116.58 3hvb s GLN 527 Ca 0.25 -1.72 0.10 0.00 -1.82 0.00 0.00 55.36 52.17 3hvb s GLN 527 Cb -0.17 -4.13 -0.04 0.00 -1.09 0.00 0.00 33.01 27.58 3hvb s GLN 527 CO 0.13 -1.26 -0.11 0.95 -1.32 0.00 0.00 175.29 173.68 3hvb s THR 528 N 1.50 3.03 0.26 3.63 -4.23 -1.26 -2.72 115.64 115.84 3hvb s THR 528 Ca 0.04 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 3hvb s THR 528 Cb -0.28 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 3hvb s THR 528 CO 0.02 -0.23 0.01 -0.54 -0.54 0.00 0.00 174.62 173.34 3hvb s LYS 529 N -3.13 2.33 -0.00 3.99 1.02 0.11 -4.89 119.74 119.17 3hvb s LYS 529 Ca 0.27 -1.38 0.05 0.00 0.02 0.00 0.00 55.97 54.93 3hvb s LYS 529 Cb -0.07 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 3hvb s LYS 529 CO 0.16 0.37 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.29 3hvb s LEU 530 N -3.64 2.05 -0.39 3.17 1.43 -1.21 -2.13 118.68 117.96 3hvb s LEU 530 Ca 0.31 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 3hvb s LEU 530 Cb -0.07 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.39 3hvb s LEU 530 CO 0.20 0.17 0.30 -0.36 0.23 0.00 0.00 176.35 176.89 3hvb s PHE 531 N -0.44 3.23 -0.13 0.29 0.08 0.87 0.16 117.98 122.04 3hvb s PHE 531 Ca 0.05 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 3hvb s PHE 531 Cb -0.06 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 3hvb s PHE 531 CO -0.00 -0.55 -0.04 0.14 -0.10 0.00 0.00 175.22 174.67 3hvb s VAL 532 N 1.73 3.88 0.45 -0.44 -7.23 0.64 -0.97 120.40 118.46 3hvb s VAL 532 Ca 0.06 -0.38 -0.23 0.00 -1.81 0.00 0.00 61.98 59.62 3hvb s VAL 532 Cb -0.18 -2.67 -0.08 0.00 0.56 0.00 0.00 36.38 34.01 3hvb s VAL 532 CO 0.10 0.53 1.14 -1.00 -0.31 0.00 0.00 175.10 175.56 3hvb s HIS 533 N -0.02 2.95 -0.11 2.82 0.09 -1.26 -0.35 115.29 119.42 3hvb s HIS 533 Ca 0.01 1.56 0.02 0.00 -0.00 0.00 0.00 55.06 56.64 3hvb s HIS 533 Cb -0.13 -3.33 0.02 0.00 -0.00 0.00 0.00 32.58 29.14 3hvb s HIS 533 CO 0.03 -1.32 -0.15 -0.51 -0.00 0.00 0.00 174.74 172.78 3hvb s LEU 534 N -2.95 1.74 0.50 0.89 1.43 0.10 -4.80 118.68 115.59 3hvb s LEU 534 Ca 0.62 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 3hvb s LEU 534 Cb -0.27 -1.11 -0.06 0.00 0.03 0.00 0.00 46.19 44.78 3hvb s LEU 534 CO 0.33 0.01 0.90 -0.94 0.23 0.00 0.00 176.35 176.88 3hvb s SER 535 N 1.03 6.44 0.31 2.29 1.04 -1.26 -4.48 113.70 119.06 3hvb s SER 535 Ca -0.06 1.30 0.07 0.00 0.48 0.00 0.00 55.95 57.74 3hvb s SER 535 Cb -0.15 -2.40 0.82 0.00 0.10 0.00 0.00 66.02 64.39 3hvb s SER 535 CO -0.02 -0.60 1.72 0.77 0.98 0.00 0.00 173.24 176.08 3hvb h SER 536 N 0.60 0.54 0.00 7.02 4.64 -1.98 -0.51 113.55 123.86 3hvb h SER 536 Ca -0.46 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3hvb h SER 536 Cb 1.19 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3hvb h SER 536 CO 0.62 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 3hvb n ALA 537 N -2.38 -0.03 0.07 5.18 0.00 -1.26 -1.00 120.51 121.08 3hvb n ALA 537 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.78 3hvb n ALA 537 Cb 0.70 0.44 0.56 0.00 0.00 0.00 0.00 19.45 21.15 3hvb n ALA 537 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hvb h SER 538 N 0.00 0.21 -0.28 0.00 0.02 -1.55 -1.50 113.55 110.45 3hvb h SER 538 Ca 0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hvb h SER 538 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3hvb h SER 538 CO 0.00 0.14 0.16 0.25 -1.14 0.00 0.00 176.83 176.24 3hvb h LEU 539 N 0.25 0.35 0.17 5.07 6.46 -0.60 -3.29 115.31 123.71 3hvb h LEU 539 Ca 0.14 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3hvb h LEU 539 Cb 0.25 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3hvb h LEU 539 CO -0.03 0.33 -0.08 1.56 -0.62 0.00 0.00 178.44 179.60 3hvb h GLN 540 N 0.34 -0.22 -6.40 1.25 4.20 -0.07 -3.44 115.11 110.77 3hvb h GLN 540 Ca 0.10 0.01 -0.61 0.00 0.06 0.00 0.00 58.65 58.22 3hvb h GLN 540 Cb 0.05 0.05 0.04 0.00 0.30 0.00 0.00 27.48 27.92 3hvb h GLN 540 CO -0.02 0.17 0.86 -3.47 -0.67 0.00 0.00 178.83 175.70 3hvb n ASP 541 N -5.00 3.04 0.08 1.46 2.03 -0.82 -4.90 116.55 112.45 3hvb n ASP 541 Ca -0.09 1.05 -0.10 0.00 0.52 0.00 0.00 54.79 56.18 3hvb n ASP 541 Cb 0.25 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.22 3hvb n ASP 541 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hvb h PRO 542 N 6.86 0.19 0.00 -0.67 0.11 -1.87 -3.30 132.00 133.32 3hvb h PRO 542 Ca -0.46 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.41 3hvb h PRO 542 Cb 1.27 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3hvb h PRO 542 CO 0.90 1.02 0.00 0.41 -0.21 0.00 0.00 178.00 180.12 3hvb n GLY 543 N 1.08 -0.36 0.14 -0.55 0.00 -1.26 -3.73 105.19 100.50 3hvb n GLY 543 Ca -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3hvb n GLY 543 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hvb h LEU 544 N 0.00 -0.28 -0.38 0.99 5.85 -1.88 -2.48 115.31 117.13 3hvb h LEU 544 Ca 0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3hvb h LEU 544 Cb 0.00 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 3hvb h LEU 544 CO 0.00 -0.11 -0.15 0.17 -0.34 0.00 0.00 178.44 178.01 3hvb h LEU 545 N -0.51 -0.54 -0.61 2.25 -0.00 -1.86 0.68 115.31 114.73 3hvb h LEU 545 Ca -0.03 0.14 0.12 0.00 -0.00 0.00 0.00 57.88 58.10 3hvb h LEU 545 Cb 0.25 0.31 -0.12 0.00 -0.00 0.00 0.00 40.66 41.10 3hvb h LEU 545 CO 0.05 -0.19 -0.21 -0.65 -0.00 0.00 0.00 178.44 177.45 3hvb h PRO 546 N -0.08 -0.05 -0.18 0.17 0.11 -1.76 0.86 132.00 131.06 3hvb h PRO 546 Ca 0.19 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 3hvb h PRO 546 Cb 0.37 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3hvb h PRO 546 CO -0.43 -0.04 -0.19 2.35 -0.21 0.00 0.00 178.00 179.48 3hvb h TRP 547 N -0.05 0.32 -0.27 0.65 7.01 -0.54 -2.05 115.95 121.01 3hvb h TRP 547 Ca 0.28 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 61.12 3hvb h TRP 547 Cb 0.49 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 3hvb h TRP 547 CO -0.54 0.48 -0.26 1.25 -2.79 0.00 0.00 178.44 176.58 3hvb h LEU 548 N 0.28 0.70 0.00 0.65 6.46 0.15 -3.06 115.31 120.49 3hvb h LEU 548 Ca 0.05 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3hvb h LEU 548 Cb 0.50 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 3hvb h LEU 548 CO 0.03 1.02 0.00 0.61 -0.62 0.00 0.00 178.44 179.49 3hvb n GLY 549 N 0.15 -0.00 0.00 3.75 0.00 0.29 -0.14 105.19 109.24 3hvb n GLY 549 Ca -0.04 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3hvb n GLY 549 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hvb n VAL 550 N -0.86 0.00 -0.02 1.61 0.24 -1.16 -4.73 118.33 113.41 3hvb n VAL 550 Ca 0.00 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.34 61.85 3hvb n VAL 550 Cb 0.00 0.61 -0.13 0.00 -1.47 0.00 0.00 33.84 32.85 3hvb n VAL 550 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hvb h ALA 551 N 0.88 0.28 0.46 2.33 0.00 -0.59 -3.30 119.26 119.31 3hvb h ALA 551 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 54.91 53.68 3hvb h ALA 551 Cb 0.28 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hvb h ALA 551 CO 0.00 0.93 -0.22 -0.07 0.00 0.00 0.00 179.25 179.89 3hvb h LEU 552 N -0.39 -0.52 -1.87 0.00 3.38 -1.84 -2.93 115.31 111.14 3hvb h LEU 552 Ca -0.35 0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.75 3hvb h LEU 552 Cb 1.71 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 3hvb h LEU 552 CO -0.01 -0.35 0.50 0.07 0.09 0.00 0.00 178.44 178.74 3hvb h LYS 553 N -0.65 0.00 -0.12 1.13 -0.00 -1.85 1.10 116.57 116.17 3hvb h LYS 553 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.58 3hvb h LYS 553 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.69 3hvb h LYS 553 CO 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 179.45 179.59 3hvb h ALA 554 N 1.37 1.83 -0.30 0.07 0.00 -1.59 -2.87 119.26 117.76 3hvb h ALA 554 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hvb h ALA 554 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hvb h ALA 554 CO -0.00 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3hvb n ALA 555 N -2.51 2.63 -4.14 0.00 0.00 0.37 -4.99 120.51 111.87 3hvb n ALA 555 Ca -0.01 -1.77 -0.32 0.00 0.00 0.00 0.00 53.44 51.33 3hvb n ALA 555 Cb 0.12 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 3hvb n ALA 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hvb n ARG 556 N -0.03 -1.46 -2.77 0.00 5.12 -0.47 -4.83 116.66 112.22 3hvb n ARG 556 Ca 0.17 0.19 -0.42 0.00 -1.93 0.00 0.00 57.85 55.86 3hvb n ARG 556 Cb 0.68 -3.67 -0.03 0.00 -1.16 0.00 0.00 32.46 28.28 3hvb n ARG 556 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hvb s LEU 557 N -7.23 4.27 0.43 0.55 2.96 -1.21 -4.98 118.68 113.46 3hvb s LEU 557 Ca 0.12 1.45 -0.22 0.00 -0.22 0.00 0.00 54.13 55.27 3hvb s LEU 557 Cb -0.06 -3.45 -0.13 0.00 0.50 0.00 0.00 46.19 43.05 3hvb s LEU 557 CO 0.96 -0.37 0.38 -2.65 -1.32 0.00 0.00 176.35 173.35 3hvb n PRO 558 N 4.70 0.36 -1.47 0.98 -0.02 -1.26 -4.89 135.00 133.39 3hvb n PRO 558 Ca 0.06 0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 3hvb n PRO 558 Cb 0.49 -1.34 0.09 0.00 -0.02 0.00 0.00 33.50 32.72 3hvb n PRO 558 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3hvb s PRO 559 N -1.41 2.17 -1.26 0.52 0.02 -1.26 -3.15 135.00 130.62 3hvb s PRO 559 Ca 0.62 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 63.49 3hvb s PRO 559 Cb -0.60 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.11 3hvb s PRO 559 CO 0.59 -1.84 0.16 0.39 -0.33 0.00 0.00 177.00 175.97 3hvb n GLU 560 N -2.55 -2.67 0.00 5.54 -0.58 0.10 -4.85 120.64 115.63 3hvb n GLU 560 Ca 0.14 0.67 0.12 0.00 -0.42 0.00 0.00 57.16 57.68 3hvb n GLU 560 Cb 0.49 -5.33 0.26 0.00 -0.57 0.00 0.00 31.44 26.29 3hvb n GLU 560 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hvb n SER 561 N -2.01 1.50 -3.88 1.62 2.88 -1.19 -4.92 113.62 107.62 3hvb n SER 561 Ca -0.13 -1.21 -0.18 0.00 -1.33 0.00 0.00 58.87 56.01 3hvb n SER 561 Cb 0.61 0.22 -0.16 0.00 -0.75 0.00 0.00 64.21 64.13 3hvb n SER 561 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3hvb s LEU 562 N -2.41 1.39 -0.19 2.46 2.96 -1.26 -3.35 118.68 118.28 3hvb s LEU 562 Ca 0.24 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3hvb s LEU 562 Cb 0.19 -0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.55 3hvb s LEU 562 CO 0.50 -0.05 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.62 3hvb s VAL 563 N 0.78 2.03 -0.25 1.68 1.01 0.12 0.04 120.40 125.81 3hvb s VAL 563 Ca -0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 3hvb s VAL 563 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3hvb s VAL 563 CO -0.00 0.45 0.32 -0.36 0.00 0.00 0.00 175.10 175.51 3hvb s PHE 564 N 1.28 3.29 -0.23 5.22 0.08 0.34 -0.26 117.98 127.70 3hvb s PHE 564 Ca 0.03 0.39 -0.06 0.00 0.12 0.00 0.00 56.93 57.42 3hvb s PHE 564 Cb -0.14 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 39.81 3hvb s PHE 564 CO -0.12 -0.11 0.02 -1.14 -0.10 0.00 0.00 175.22 173.77 3hvb s GLN 565 N 1.66 3.57 -0.02 0.44 0.74 0.53 0.23 119.66 126.80 3hvb s GLN 565 Ca 0.14 -0.53 0.03 0.00 0.05 0.00 0.00 55.36 55.04 3hvb s GLN 565 Cb -0.15 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.80 3hvb s GLN 565 CO 0.09 -0.13 -0.10 0.96 -0.55 0.00 0.00 175.29 175.55 3hvb s ILE 566 N 1.39 0.86 0.79 -2.34 -4.36 -0.68 0.02 121.20 116.88 3hvb s ILE 566 Ca 0.05 -0.42 -0.15 0.00 -0.26 0.00 0.00 60.65 59.87 3hvb s ILE 566 Cb -0.15 -0.75 0.00 0.00 1.25 0.00 0.00 42.46 42.81 3hvb s ILE 566 CO 0.01 0.26 0.63 -1.54 0.24 0.00 0.00 174.94 174.54 3hvb n SER 567 N 3.17 -0.95 0.15 4.36 3.41 -1.26 -2.42 113.62 120.08 3hvb n SER 567 Ca -0.17 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 58.98 3hvb n SER 567 Cb 0.55 -1.27 0.22 0.00 -0.26 0.00 0.00 64.21 63.44 3hvb n SER 567 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hvb h GLU 568 N -0.73 0.00 0.30 4.33 4.81 -1.34 0.19 114.58 122.14 3hvb h GLU 568 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3hvb h GLU 568 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 3hvb h GLU 568 CO 0.41 0.54 -0.27 0.00 -0.73 0.00 0.00 179.01 178.96 3hvb h ALA 569 N 1.46 -0.99 0.00 2.92 0.00 -1.86 0.50 119.26 121.30 3hvb h ALA 569 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hvb h ALA 569 Cb 1.04 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hvb h ALA 569 CO 0.07 -1.00 0.07 -0.44 0.00 0.00 0.00 179.25 177.95 3hvb h ASP 570 N -0.56 0.00 -0.16 0.00 3.45 -1.92 -1.35 116.42 115.89 3hvb h ASP 570 Ca -0.04 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.35 3hvb h ASP 570 Cb 0.48 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3hvb h ASP 570 CO -0.02 0.00 -0.18 0.00 -1.57 0.00 0.00 179.24 177.47 3hvb h ALA 571 N 1.86 0.24 0.15 3.45 0.00 0.96 -3.24 119.26 122.68 3hvb h ALA 571 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.33 3hvb h ALA 571 Cb 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hvb h ALA 571 CO 0.00 0.16 -1.08 1.15 0.00 0.00 0.00 179.25 179.48 3hvb h THR 572 N 0.04 1.35 -0.29 0.00 2.02 -0.09 -3.09 112.91 112.85 3hvb h THR 572 Ca 0.02 -2.53 0.07 0.00 0.77 0.00 0.00 66.41 64.74 3hvb h THR 572 Cb 0.73 3.05 -0.07 0.00 -1.74 0.00 0.00 68.15 70.12 3hvb h THR 572 CO 0.04 0.73 -0.20 0.28 0.37 0.00 0.00 175.52 176.74 3hvb h SER 573 N -0.27 -0.66 -2.22 4.18 0.02 -1.44 -3.11 113.55 110.05 3hvb h SER 573 Ca -0.20 0.14 -0.65 0.00 -0.84 0.00 0.00 61.79 60.23 3hvb h SER 573 Cb 1.76 0.33 -0.38 0.00 0.14 0.00 0.00 62.40 64.26 3hvb h SER 573 CO 0.15 -0.24 -0.15 -1.22 -1.14 0.00 0.00 176.83 174.23 3hvb n TYR 574 N -5.36 3.65 0.45 3.45 4.01 -1.22 -4.91 117.16 117.23 3hvb n TYR 574 Ca 0.00 -3.51 -0.20 0.00 -0.16 0.00 0.00 57.90 54.03 3hvb n TYR 574 Cb 0.27 -0.67 -0.10 0.00 -0.31 0.00 0.00 39.34 38.53 3hvb n TYR 574 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hvb h LEU 575 N 3.29 -1.21 -0.78 7.72 6.46 -1.47 -2.82 115.31 126.50 3hvb h LEU 575 Ca 0.26 0.06 0.18 0.00 -0.12 0.00 0.00 57.88 58.27 3hvb h LEU 575 Cb 0.47 0.34 -0.13 0.00 -0.73 0.00 0.00 40.66 40.61 3hvb h LEU 575 CO 0.94 -0.76 0.14 0.50 -0.62 0.00 0.00 178.44 178.63 3hvb h LYS 576 N -1.23 0.19 0.00 1.25 3.64 -1.90 -0.10 116.57 118.42 3hvb h LYS 576 Ca -0.11 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 3hvb h LYS 576 Cb 0.97 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3hvb h LYS 576 CO 0.13 0.13 -0.56 1.96 -2.27 0.00 0.00 179.45 178.84 3hvb h GLN 577 N 0.20 0.00 0.68 1.90 4.20 -1.91 -1.30 115.11 118.88 3hvb h GLN 577 Ca 0.45 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.13 3hvb h GLN 577 Cb 0.82 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.61 3hvb h GLN 577 CO -0.60 0.56 -0.33 0.00 -0.67 0.00 0.00 178.83 177.79 3hvb h ALA 578 N 1.44 -0.91 -0.98 3.87 0.00 -0.79 0.74 119.26 122.63 3hvb h ALA 578 Ca -0.01 -0.20 0.33 0.00 0.00 0.00 0.00 54.91 55.03 3hvb h ALA 578 Cb 1.05 0.35 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 3hvb h ALA 578 CO 0.07 -0.86 0.34 -0.22 0.00 0.00 0.00 179.25 178.58 3hvb h LYS 579 N -1.23 0.07 -0.32 0.00 3.64 -1.26 0.47 116.57 117.95 3hvb h LYS 579 Ca -0.09 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.13 3hvb h LYS 579 Cb 0.71 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3hvb h LYS 579 CO 0.15 0.05 -0.41 0.37 -2.27 0.00 0.00 179.45 177.35 3hvb h GLN 580 N 0.08 0.77 0.30 1.90 4.15 -1.07 -2.13 115.11 119.12 3hvb h GLN 580 Ca 0.71 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3hvb h GLN 580 Cb 1.69 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.40 3hvb h GLN 580 CO -0.78 1.04 -0.14 1.25 -1.93 0.00 0.00 178.83 178.26 3hvb h LEU 581 N 0.63 -0.34 -0.57 -2.39 6.46 0.18 -2.11 115.31 117.17 3hvb h LEU 581 Ca 0.05 -0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.70 3hvb h LEU 581 Cb 0.96 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.91 3hvb h LEU 581 CO 0.09 0.09 0.17 0.71 -0.62 0.00 0.00 178.44 178.89 3hvb h THR 582 N -0.87 0.74 -0.80 1.05 1.35 -0.28 0.42 112.91 114.51 3hvb h THR 582 Ca -0.04 -0.11 0.02 0.00 -0.55 0.00 0.00 66.41 65.72 3hvb h THR 582 Cb 0.52 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 67.27 3hvb h THR 582 CO 0.07 0.06 0.52 1.56 -0.25 0.00 0.00 175.52 177.48 3hvb h GLN 583 N 0.33 1.01 -0.20 4.72 4.20 -1.45 0.12 115.11 123.83 3hvb h GLN 583 Ca 0.29 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.99 3hvb h GLN 583 Cb 0.38 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3hvb h GLN 583 CO -0.33 0.67 -0.12 0.78 -0.67 0.00 0.00 178.83 179.16 3hvb h GLY 584 N 1.04 0.04 0.48 3.46 0.00 -0.35 -2.93 103.07 104.82 3hvb h GLY 584 Ca 0.30 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.85 3hvb h GLY 584 CO -0.09 -0.13 0.15 1.41 0.00 0.00 0.00 176.54 177.88 3hvb h LEU 585 N -0.11 0.12 -0.83 3.11 3.38 0.82 -2.04 115.31 119.78 3hvb h LEU 585 Ca 0.11 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.31 3hvb h LEU 585 Cb 0.27 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 40.94 3hvb h LEU 585 CO -0.27 0.10 -0.25 0.00 0.09 0.00 0.00 178.44 178.11 3hvb h ALA 586 N 1.34 0.44 -0.23 1.53 0.00 -0.83 0.23 119.26 121.73 3hvb h ALA 586 Ca 0.24 0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 3hvb h ALA 586 Cb 0.27 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hvb h ALA 586 CO -0.26 -0.46 -0.01 1.79 0.00 0.00 0.00 179.25 180.30 3hvb h THR 587 N -0.02 1.15 -0.24 0.00 1.35 -1.30 -0.67 112.91 113.19 3hvb h THR 587 Ca 0.38 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3hvb h THR 587 Cb 0.60 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3hvb h THR 587 CO -0.86 0.20 0.00 0.18 -0.25 0.00 0.00 175.52 174.80 3hvb n LEU 588 N -4.33 1.42 -3.68 3.87 4.32 0.70 -4.91 117.00 114.39 3hvb n LEU 588 Ca 0.00 -0.71 -0.22 0.00 -0.02 0.00 0.00 56.01 55.06 3hvb n LEU 588 Cb 0.21 -0.20 0.03 0.00 -1.62 0.00 0.00 43.42 41.85 3hvb n LEU 588 CO 0.37 0.33 -0.07 1.41 -1.22 0.00 0.00 177.39 178.22 3hvb n HIS 589 N 0.22 -1.94 -4.58 -1.77 8.25 -0.26 -4.79 115.22 110.35 3hvb n HIS 589 Ca 0.08 0.78 -0.26 0.00 -0.26 0.00 0.00 57.72 58.06 3hvb n HIS 589 Cb 0.24 -4.21 -0.10 0.00 1.12 0.00 0.00 29.99 27.04 3hvb n HIS 589 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hvb s GLN 591 N -3.79 1.68 -0.05 0.00 -0.21 0.11 -4.19 119.66 113.20 3hvb s GLN 591 Ca 0.32 -0.52 -0.14 0.00 0.02 0.00 0.00 55.36 55.04 3hvb s GLN 591 Cb 0.08 -1.44 -0.05 0.00 1.00 0.00 0.00 33.01 32.60 3hvb s GLN 591 CO 0.15 0.16 0.36 0.00 -2.12 0.00 0.00 175.29 173.85 3hvb s ALA 592 N 0.24 3.68 0.03 6.09 0.00 -1.26 0.13 121.76 130.66 3hvb s ALA 592 Ca -0.07 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3hvb s ALA 592 Cb -0.12 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 3hvb s ALA 592 CO 0.03 0.39 -0.13 0.00 0.00 0.00 0.00 175.76 176.05 3hvb s ALA 593 N -0.66 1.06 -0.23 0.00 0.00 0.14 -2.43 121.76 119.65 3hvb s ALA 593 Ca 0.22 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3hvb s ALA 593 Cb -0.15 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3hvb s ALA 593 CO 0.10 0.20 -0.10 0.42 0.00 0.00 0.00 175.76 176.38 3hvb s ILE 594 N -0.75 2.64 0.50 0.00 1.01 -0.91 -1.69 121.20 122.00 3hvb s ILE 594 Ca 0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3hvb s ILE 594 Cb -0.07 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3hvb s ILE 594 CO 0.01 0.30 0.71 -0.94 0.00 0.00 0.00 174.94 175.02 3hvb s SER 595 N 1.31 5.48 -1.54 3.58 1.04 -1.02 -1.00 113.70 121.55 3hvb s SER 595 Ca 0.01 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 3hvb s SER 595 Cb -0.16 -0.99 0.08 0.00 0.10 0.00 0.00 66.02 65.05 3hvb s SER 595 CO -0.07 -0.96 0.74 0.00 0.98 0.00 0.00 173.24 173.94 3hvb n GLN 596 N -2.18 -4.05 -2.49 4.02 3.00 -1.09 -1.12 117.38 113.47 3hvb n GLN 596 Ca 0.06 0.47 -0.32 0.00 -0.01 0.00 0.00 57.00 57.20 3hvb n GLN 596 Cb 0.59 -5.08 -0.04 0.00 0.00 0.00 0.00 30.24 25.71 3hvb n GLN 596 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3hvb s PHE 597 N -3.50 3.43 0.00 1.08 5.36 -0.75 -4.28 117.98 119.32 3hvb s PHE 597 Ca 0.47 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.90 3hvb s PHE 597 Cb -0.25 -2.78 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 3hvb s PHE 597 CO 0.88 -0.31 0.00 0.41 -1.46 0.00 0.00 175.22 174.74 3hvb n GLY 598 N -1.41 0.68 0.22 13.12 0.00 -1.26 -0.99 105.19 115.56 3hvb n GLY 598 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3hvb n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hvb n SER 600 N -3.56 -0.77 -0.31 0.00 3.41 -1.26 -4.82 113.62 106.31 3hvb n SER 600 Ca -0.40 0.83 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 3hvb n SER 600 Cb 0.84 -1.17 0.32 0.00 -0.26 0.00 0.00 64.21 63.95 3hvb n SER 600 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hvb h LEU 601 N 0.57 0.37 -6.85 1.04 3.38 -2.03 -2.78 115.31 109.01 3hvb h LEU 601 Ca -0.44 0.15 -0.61 0.00 0.09 0.00 0.00 57.88 57.08 3hvb h LEU 601 Cb 1.39 0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.87 3hvb h LEU 601 CO 0.50 0.00 -0.76 0.20 0.09 0.00 0.00 178.44 178.46 3hvb s ASN 602 N -5.17 3.36 0.58 -0.43 0.01 -1.26 -5.01 114.94 107.02 3hvb s ASN 602 Ca -0.11 -2.92 0.36 0.00 -0.71 0.00 0.00 52.86 49.48 3hvb s ASN 602 Cb 0.26 -0.98 1.71 0.00 0.41 0.00 0.00 41.25 42.64 3hvb s ASN 602 CO 0.78 -0.22 2.12 -0.65 -1.51 0.00 0.00 177.10 177.62 3hvb h PRO 603 N 6.28 0.00 0.07 -0.60 0.11 -1.84 -2.55 132.00 133.46 3hvb h PRO 603 Ca 0.08 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.90 3hvb h PRO 603 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3hvb h PRO 603 CO 0.49 0.03 -1.51 0.74 -0.21 0.00 0.00 178.00 177.53 3hvb h PHE 604 N 0.00 0.27 -0.99 0.65 0.04 -1.95 -3.34 116.94 111.63 3hvb h PHE 604 Ca -0.00 -0.20 0.19 0.00 2.80 0.00 0.00 57.97 60.76 3hvb h PHE 604 Cb 0.33 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.37 3hvb h PHE 604 CO 0.00 1.25 0.60 -0.91 -0.60 0.00 0.00 178.31 178.65 3hvb h ASN 605 N 0.04 0.76 -0.41 2.17 -0.26 -1.89 0.59 115.58 116.58 3hvb h ASN 605 Ca -0.22 0.10 0.12 0.00 -0.56 0.00 0.00 56.30 55.73 3hvb h ASN 605 Cb 1.97 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 39.18 3hvb h ASN 605 CO 0.13 0.27 0.30 0.00 -1.06 0.00 0.00 177.43 177.07 3hvb h ALA 606 N 1.64 2.36 -0.14 -0.83 0.00 -1.70 -3.05 119.26 117.55 3hvb h ALA 606 Ca 0.57 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.33 3hvb h ALA 606 Cb 0.88 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hvb h ALA 606 CO -0.38 -0.48 -0.53 -0.07 0.00 0.00 0.00 179.25 177.79 3hvb h LEU 607 N 0.03 0.42 -2.00 0.00 -0.00 0.02 -3.32 115.31 110.45 3hvb h LEU 607 Ca 0.20 -0.22 0.11 0.00 -0.00 0.00 0.00 57.88 57.97 3hvb h LEU 607 Cb 0.76 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 3hvb h LEU 607 CO -0.01 0.87 0.42 0.11 -0.00 0.00 0.00 178.44 179.83 3hvb h LYS 608 N 0.30 0.00 0.00 1.13 1.57 -1.60 -2.96 116.57 115.01 3hvb h LYS 608 Ca 0.01 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.48 3hvb h LYS 608 Cb 1.02 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 3hvb h LYS 608 CO 0.09 0.00 -2.17 0.72 -0.57 0.00 0.00 179.45 177.52 3hvb n HIS 609 N -3.74 0.00 -3.28 -1.35 8.25 -1.25 -4.98 115.22 108.88 3hvb n HIS 609 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 3hvb n HIS 609 Cb 0.59 -0.82 -0.04 0.00 1.12 0.00 0.00 29.99 30.84 3hvb n HIS 609 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hvb s LEU 610 N -5.58 4.06 -0.75 2.41 1.02 -1.12 -4.85 118.68 113.87 3hvb s LEU 610 Ca -0.15 0.88 -0.17 0.00 0.02 0.00 0.00 54.13 54.70 3hvb s LEU 610 Cb 0.06 -3.69 0.15 0.00 0.02 0.00 0.00 46.19 42.73 3hvb s LEU 610 CO 0.62 -0.19 0.81 0.42 0.02 0.00 0.00 176.35 178.03 3hvb s THR 611 N -2.03 5.10 -0.10 5.49 -4.23 -1.26 -4.95 115.64 113.66 3hvb s THR 611 Ca 0.47 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 3hvb s THR 611 Cb -0.11 -4.54 0.01 0.00 1.34 0.00 0.00 72.50 69.20 3hvb s THR 611 CO 0.27 -1.16 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.30 3hvb s VAL 612 N 1.75 1.71 -0.16 2.29 1.01 -1.26 -4.47 120.40 121.27 3hvb s VAL 612 Ca 0.18 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 3hvb s VAL 612 Cb -0.15 -1.51 -0.15 0.00 0.00 0.00 0.00 36.38 34.56 3hvb s VAL 612 CO -0.03 0.48 0.27 1.56 0.00 0.00 0.00 175.10 177.38 3hvb h GLN 613 N 7.00 0.00 -5.73 2.72 7.50 -1.85 -3.47 115.11 121.28 3hvb h GLN 613 Ca -0.26 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.23 3hvb h GLN 613 Cb 1.21 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.67 3hvb h GLN 613 CO 0.49 0.67 -0.44 -0.06 -1.50 0.00 0.00 178.83 177.98 3hvb s PHE 614 N -2.18 3.61 -0.17 2.96 0.08 -1.19 -1.05 117.98 120.04 3hvb s PHE 614 Ca -0.19 0.57 0.01 0.00 0.12 0.00 0.00 56.93 57.43 3hvb s PHE 614 Cb 0.02 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 3hvb s PHE 614 CO 0.46 0.70 -0.14 0.42 -0.10 0.00 0.00 175.22 176.57 3hvb s ILE 615 N -1.10 1.65 -0.35 0.64 1.09 -1.09 -2.15 121.20 119.89 3hvb s ILE 615 Ca 0.19 -0.78 -0.19 0.00 -1.10 0.00 0.00 60.65 58.77 3hvb s ILE 615 Cb -0.13 -1.59 -0.00 0.00 -1.06 0.00 0.00 42.46 39.68 3hvb s ILE 615 CO 0.08 0.38 0.56 -0.75 -0.10 0.00 0.00 174.94 175.11 3hvb s LYS 616 N 1.44 3.65 0.54 2.79 2.20 -0.17 -1.08 119.74 129.10 3hvb s LYS 616 Ca 0.03 -0.07 -0.21 0.00 -0.36 0.00 0.00 55.97 55.37 3hvb s LYS 616 Cb -0.14 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 3hvb s LYS 616 CO -0.10 -0.67 1.20 0.42 -0.36 0.00 0.00 175.35 175.84 3hvb s ILE 617 N 2.50 2.79 0.53 5.43 1.09 -0.26 -1.81 121.20 131.47 3hvb s ILE 617 Ca 0.21 0.54 -0.20 0.00 -1.10 0.00 0.00 60.65 60.10 3hvb s ILE 617 Cb -0.15 -3.24 -0.06 0.00 -1.06 0.00 0.00 42.46 37.94 3hvb s ILE 617 CO 0.14 -0.06 1.12 -0.62 -0.10 0.00 0.00 174.94 175.42 3hvb s ASP 618 N -1.45 5.83 0.23 3.58 2.15 -0.16 -4.47 116.67 122.37 3hvb s ASP 618 Ca 0.71 2.15 0.19 0.00 0.43 0.00 0.00 52.55 56.04 3hvb s ASP 618 Cb -0.30 -2.58 0.90 0.00 -0.30 0.00 0.00 42.92 40.64 3hvb s ASP 618 CO 0.35 -1.14 1.58 0.61 -0.17 0.00 0.00 175.17 176.39 3hvb n GLY 619 N 0.13 -0.98 0.21 2.66 0.00 -1.26 -2.63 105.19 103.32 3hvb n GLY 619 Ca 0.11 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.28 3hvb n GLY 619 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hvb h SER 620 N 0.00 0.00 1.42 1.61 4.64 -1.95 -2.68 113.55 116.59 3hvb h SER 620 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3hvb h SER 620 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3hvb h SER 620 CO 0.00 0.24 -0.18 -0.26 -0.87 0.00 0.00 176.83 175.76 3hvb h PHE 621 N 0.00 0.00 -0.18 4.77 0.04 -1.89 -2.84 116.94 116.83 3hvb h PHE 621 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hvb h PHE 621 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3hvb h PHE 621 CO 0.00 0.18 0.00 0.28 -0.60 0.00 0.00 178.31 178.17 3hvb n VAL 622 N -3.21 0.73 -4.44 -0.55 0.31 -1.01 -4.82 118.33 105.34 3hvb n VAL 622 Ca 0.02 -0.40 -0.34 0.00 -0.01 0.00 0.00 64.34 63.62 3hvb n VAL 622 Cb 0.51 -0.34 -0.10 0.00 -0.91 0.00 0.00 33.84 33.01 3hvb n VAL 622 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hvb s GLN 623 N -1.56 2.82 -1.15 5.55 0.74 -1.08 -4.54 119.66 120.45 3hvb s GLN 623 Ca 0.16 -0.53 -0.09 0.00 0.05 0.00 0.00 55.36 54.96 3hvb s GLN 623 Cb 0.12 -2.68 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 3hvb s GLN 623 CO 0.06 0.66 0.84 -0.25 -0.55 0.00 0.00 175.29 176.05 3hvb n ASP 624 N 1.93 -4.64 0.08 6.67 10.43 -1.26 -4.92 116.55 124.84 3hvb n ASP 624 Ca -0.17 -0.82 -0.04 0.00 2.57 0.00 0.00 54.79 56.33 3hvb n ASP 624 Cb 0.53 -4.42 -0.08 0.00 1.84 0.00 0.00 41.12 38.99 3hvb n ASP 624 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3hvb h LEU 625 N -1.57 0.00 -1.46 0.64 3.38 -1.89 -3.24 115.31 111.17 3hvb h LEU 625 Ca -0.62 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.55 3hvb h LEU 625 Cb 1.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3hvb h LEU 625 CO 0.48 0.85 0.85 -0.55 0.09 0.00 0.00 178.44 180.16 3hvb h ASN 626 N 0.00 0.00 -3.00 -0.43 -1.07 -1.97 -3.40 115.58 105.71 3hvb h ASN 626 Ca -0.02 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.74 3hvb h ASN 626 Cb 1.66 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.86 3hvb h ASN 626 CO 0.11 0.00 -0.21 -1.10 0.07 0.00 0.00 177.43 176.29 3hvb s GLN 627 N -4.49 3.90 0.05 4.14 -0.21 -1.22 -5.02 119.66 116.81 3hvb s GLN 627 Ca -0.03 0.39 -0.18 0.00 0.02 0.00 0.00 55.36 55.56 3hvb s GLN 627 Cb 0.14 -3.22 -0.16 0.00 1.00 0.00 0.00 33.01 30.77 3hvb s GLN 627 CO 0.48 0.69 1.28 -0.39 -2.12 0.00 0.00 175.29 175.23 3hvb h VAL 628 N 3.73 1.35 -0.99 1.09 -1.51 -1.89 -2.97 116.25 115.06 3hvb h VAL 628 Ca -0.52 -1.70 0.21 0.00 -1.23 0.00 0.00 66.70 63.47 3hvb h VAL 628 Cb 1.22 2.04 -0.10 0.00 -2.13 0.00 0.00 31.29 32.32 3hvb h VAL 628 CO 0.61 0.51 0.62 -0.08 -1.23 0.00 0.00 177.57 178.01 3hvb h GLU 629 N 0.16 0.60 -0.06 5.19 4.81 -1.95 -0.65 114.58 122.68 3hvb h GLU 629 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3hvb h GLU 629 Cb 1.04 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 3hvb h GLU 629 CO 0.09 0.40 0.01 -0.91 -0.73 0.00 0.00 179.01 177.86 3hvb h ASN 630 N 0.62 0.10 -0.63 1.04 4.21 -1.80 -1.18 115.58 117.94 3hvb h ASN 630 Ca 0.57 -0.27 0.06 0.00 1.21 0.00 0.00 56.30 57.86 3hvb h ASN 630 Cb 1.09 -0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 38.21 3hvb h ASN 630 CO -0.34 0.35 0.34 1.56 -1.29 0.00 0.00 177.43 178.05 3hvb h GLN 631 N -0.15 0.61 -0.85 0.81 4.20 -1.40 -1.60 115.11 116.74 3hvb h GLN 631 Ca 0.02 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.84 3hvb h GLN 631 Cb 0.29 -0.14 -0.09 0.00 0.30 0.00 0.00 27.48 27.84 3hvb h GLN 631 CO 0.00 0.40 0.43 0.93 -0.67 0.00 0.00 178.83 179.93 3hvb h GLU 632 N 0.63 0.60 -0.35 1.46 4.39 -0.73 0.48 114.58 121.05 3hvb h GLU 632 Ca 0.28 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 3hvb h GLU 632 Cb 0.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hvb h GLU 632 CO -0.18 0.39 0.10 0.82 -1.16 0.00 0.00 179.01 178.98 3hvb h ILE 633 N 0.61 1.22 0.19 3.13 1.08 -0.32 -1.04 117.51 122.37 3hvb h ILE 633 Ca 0.46 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3hvb h ILE 633 Cb 0.66 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 3hvb h ILE 633 CO -0.37 0.25 -0.14 0.25 -0.69 0.00 0.00 178.15 177.45 3hvb h LEU 634 N 0.42 -0.35 -0.37 1.44 6.46 -0.73 -1.34 115.31 120.84 3hvb h LEU 634 Ca 0.11 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 3hvb h LEU 634 Cb 0.28 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 3hvb h LEU 634 CO -0.00 -0.22 0.04 0.50 -0.62 0.00 0.00 178.44 178.14 3hvb h LYS 635 N -0.33 0.15 -0.33 1.25 3.64 -0.80 0.24 116.57 120.39 3hvb h LYS 635 Ca -0.01 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3hvb h LYS 635 Cb 0.29 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 3hvb h LYS 635 CO -0.00 0.10 -0.22 0.78 -2.27 0.00 0.00 179.45 177.83 3hvb h GLY 636 N 0.15 -0.04 0.32 5.01 0.00 -1.09 -0.22 103.07 107.20 3hvb h GLY 636 Ca 0.18 0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.80 3hvb h GLY 636 CO -0.26 -0.20 -0.44 -2.00 0.00 0.00 0.00 176.54 173.64 3hvb h LEU 637 N -0.18 -1.28 -0.99 3.11 6.46 -0.20 -1.54 115.31 120.68 3hvb h LEU 637 Ca 0.17 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 58.02 3hvb h LEU 637 Cb 0.44 0.47 -0.03 0.00 -0.73 0.00 0.00 40.66 40.81 3hvb h LEU 637 CO -0.44 -0.52 0.27 0.40 -0.62 0.00 0.00 178.44 177.53 3hvb h ILE 638 N -0.72 1.23 0.23 4.05 2.04 -0.55 -1.35 117.51 122.44 3hvb h ILE 638 Ca 0.00 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3hvb h ILE 638 Cb 0.72 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3hvb h ILE 638 CO -0.21 0.29 -0.33 0.00 0.00 0.00 0.00 178.15 177.91 3hvb h ALA 639 N 1.32 -0.63 -0.96 1.87 0.00 -0.95 -0.90 119.26 119.00 3hvb h ALA 639 Ca 0.23 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.27 3hvb h ALA 639 Cb 0.19 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 3hvb h ALA 639 CO -0.02 -0.90 0.54 0.93 0.00 0.00 0.00 179.25 179.80 3hvb h GLU 640 N -0.62 0.58 0.00 0.00 5.08 -0.20 0.19 114.58 119.60 3hvb h GLU 640 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3hvb h GLU 640 Cb 0.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3hvb h GLU 640 CO -0.13 0.38 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.94 3hvb h LEU 641 N 0.60 0.00 -0.07 1.33 4.07 -1.03 -3.01 115.31 117.21 3hvb h LEU 641 Ca 0.59 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 58.30 3hvb h LEU 641 Cb 1.04 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.79 3hvb h LEU 641 CO -0.45 0.26 -1.05 -0.74 -1.08 0.00 0.00 178.44 175.37 3hvb h HIS 642 N 0.00 0.63 -0.73 1.13 2.76 0.71 0.19 115.15 119.84 3hvb h HIS 642 Ca -0.00 -0.38 0.11 0.00 -2.20 0.00 0.00 60.37 57.90 3hvb h HIS 642 Cb 0.98 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.83 3hvb h HIS 642 CO 0.00 1.22 0.48 0.93 -1.30 0.00 0.00 177.93 179.27 3hvb h GLU 643 N 0.20 0.57 -0.20 5.26 3.07 -0.95 -1.21 114.58 121.31 3hvb h GLU 643 Ca -0.11 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3hvb h GLU 643 Cb 1.71 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.50 3hvb h GLU 643 CO 0.18 0.38 0.00 1.04 -1.40 0.00 0.00 179.01 179.21 3hvb n GLN 644 N -4.49 1.57 -3.94 2.33 1.13 -1.01 -4.90 117.38 108.05 3hvb n GLN 644 Ca 0.13 -0.87 -0.29 0.00 -1.94 0.00 0.00 57.00 54.03 3hvb n GLN 644 Cb 0.38 -1.27 0.01 0.00 0.11 0.00 0.00 30.24 29.47 3hvb n GLN 644 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hvb n GLN 645 N 0.15 -4.54 -4.02 -1.09 0.00 -0.46 -5.00 117.38 102.43 3hvb n GLN 645 Ca 0.11 0.52 -0.22 0.00 0.00 0.00 0.00 57.00 57.41 3hvb n GLN 645 Cb 0.23 -5.18 -0.03 0.00 0.00 0.00 0.00 30.24 25.26 3hvb n GLN 645 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3hvb s LYS 646 N -6.55 3.26 -0.71 2.61 -0.14 0.65 -4.97 119.74 113.90 3hvb s LYS 646 Ca 0.44 -0.83 -0.13 0.00 -1.36 0.00 0.00 55.97 54.09 3hvb s LYS 646 Cb -0.23 -2.79 0.18 0.00 -1.68 0.00 0.00 37.83 33.32 3hvb s LYS 646 CO 0.86 0.44 0.63 -0.51 -0.76 0.00 0.00 175.35 176.01 3hvb s LEU 647 N -3.77 6.38 -0.22 3.17 1.43 -0.21 -4.42 118.68 121.04 3hvb s LEU 647 Ca 0.34 -2.41 -0.35 0.00 -1.03 0.00 0.00 54.13 50.68 3hvb s LEU 647 Cb -0.09 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.86 3hvb s LEU 647 CO 0.27 -0.64 2.01 -1.54 0.23 0.00 0.00 176.35 176.69 3hvb n SER 648 N 4.33 2.83 -4.80 2.29 3.41 -1.26 -2.69 113.62 117.74 3hvb n SER 648 Ca 0.04 0.70 -0.36 0.00 -0.26 0.00 0.00 58.87 58.99 3hvb n SER 648 Cb 0.44 -1.32 -0.07 0.00 -0.26 0.00 0.00 64.21 62.99 3hvb n SER 648 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hvb s ILE 649 N 5.66 5.07 -0.07 -1.33 1.01 -0.24 0.09 121.20 131.38 3hvb s ILE 649 Ca 1.00 0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.71 3hvb s ILE 649 Cb -0.76 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 38.54 3hvb s ILE 649 CO 0.51 0.60 -0.08 -0.69 0.00 0.00 0.00 174.94 175.28 3hvb s VAL 650 N -0.87 0.88 0.67 2.92 1.01 -0.84 -1.10 120.40 123.07 3hvb s VAL 650 Ca 0.14 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3hvb s VAL 650 Cb -0.12 -0.86 0.12 0.00 0.00 0.00 0.00 36.38 35.52 3hvb s VAL 650 CO 0.03 0.31 0.92 -2.84 0.00 0.00 0.00 175.10 173.52 3hvb s PRO 651 N 1.04 1.90 -1.17 2.72 0.02 -1.26 -2.14 135.00 136.10 3hvb s PRO 651 Ca -0.08 -1.45 -0.01 0.00 0.02 0.00 0.00 61.00 59.49 3hvb s PRO 651 Cb -0.14 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.90 3hvb s PRO 651 CO -0.00 -1.24 0.98 1.19 -0.33 0.00 0.00 177.00 177.60 3hvb n PHE 652 N -2.59 -2.17 -2.82 6.54 3.72 -0.11 -4.83 117.46 115.21 3hvb n PHE 652 Ca 0.16 0.92 -0.43 0.00 -0.05 0.00 0.00 57.45 58.05 3hvb n PHE 652 Cb 0.61 -4.99 -0.04 0.00 -0.94 0.00 0.00 39.48 34.12 3hvb n PHE 652 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hvb s VAL 653 N -3.35 4.37 -0.19 -4.37 1.01 -0.66 -4.91 120.40 112.30 3hvb s VAL 653 Ca 0.04 0.36 0.15 0.00 0.00 0.00 0.00 61.98 62.53 3hvb s VAL 653 Cb -0.02 -4.55 0.43 0.00 0.00 0.00 0.00 36.38 32.25 3hvb s VAL 653 CO 0.71 -1.11 1.32 -0.62 0.00 0.00 0.00 175.10 175.39 3hvb n GLU 654 N 7.51 2.00 0.00 2.72 4.71 -1.26 -2.32 120.64 134.00 3hvb n GLU 654 Ca 0.03 -2.89 0.00 0.00 -0.01 0.00 0.00 57.16 54.29 3hvb n GLU 654 Cb 0.48 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 3hvb n GLU 654 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3hvb n SER 655 N -1.02 0.00 -0.22 1.62 3.41 -1.26 -4.77 113.62 111.38 3hvb n SER 655 Ca 0.22 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.86 3hvb n SER 655 Cb 0.82 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.90 3hvb n SER 655 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hvb h ALA 656 N 0.00 0.78 -0.98 7.33 0.00 -1.95 0.45 119.26 124.89 3hvb h ALA 656 Ca 0.00 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3hvb h ALA 656 Cb 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 3hvb h ALA 656 CO 0.00 -0.35 -0.51 1.03 0.00 0.00 0.00 179.25 179.42 3hvb h SER 657 N 0.22 -1.86 -0.18 0.00 0.87 -2.00 -1.23 113.55 109.37 3hvb h SER 657 Ca 0.36 0.32 0.04 0.00 -1.23 0.00 0.00 61.79 61.28 3hvb h SER 657 Cb 0.59 0.87 -0.04 0.00 -0.44 0.00 0.00 62.40 63.38 3hvb h SER 657 CO -0.49 -0.26 -0.05 0.58 -0.53 0.00 0.00 176.83 176.08 3hvb h VAL 658 N -0.01 0.81 -0.92 2.23 2.07 -1.32 -2.48 116.25 116.63 3hvb h VAL 658 Ca 0.23 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.93 3hvb h VAL 658 Cb 0.49 0.81 -0.17 0.00 -1.52 0.00 0.00 31.29 30.90 3hvb h VAL 658 CO -0.95 0.00 -0.26 0.25 0.02 0.00 0.00 177.57 176.63 3hvb h LEU 659 N -0.01 -0.97 -0.17 2.57 6.46 -0.52 0.55 115.31 123.23 3hvb h LEU 659 Ca 0.09 0.28 0.02 0.00 -0.12 0.00 0.00 57.88 58.15 3hvb h LEU 659 Cb 0.14 0.60 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 3hvb h LEU 659 CO -0.19 -0.30 -0.21 0.00 -0.62 0.00 0.00 178.44 177.12 3hvb h ALA 660 N 1.80 -0.47 -0.94 1.25 0.00 -0.85 -0.36 119.26 119.70 3hvb h ALA 660 Ca 0.42 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.58 3hvb h ALA 660 Cb 0.66 0.88 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 3hvb h ALA 660 CO -0.95 -0.57 0.44 1.15 0.00 0.00 0.00 179.25 179.32 3hvb h THR 661 N -0.14 0.42 -0.15 0.00 2.02 -0.71 0.42 112.91 114.76 3hvb h THR 661 Ca 0.03 -0.13 -0.18 0.00 0.77 0.00 0.00 66.41 66.90 3hvb h THR 661 Cb 0.22 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3hvb h THR 661 CO -0.23 0.07 -0.64 -0.07 0.37 0.00 0.00 175.52 175.02 3hvb h LEU 662 N 0.39 0.65 -0.12 2.58 3.38 -0.84 0.21 115.31 121.56 3hvb h LEU 662 Ca 0.61 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3hvb h LEU 662 Cb 1.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3hvb h LEU 662 CO -0.56 1.12 0.06 -0.25 0.09 0.00 0.00 178.44 178.90 3hvb h TRP 663 N 0.41 0.17 -0.96 1.13 7.01 0.14 -1.64 115.95 122.22 3hvb h TRP 663 Ca -0.01 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.10 3hvb h TRP 663 Cb 1.21 -0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 28.14 3hvb h TRP 663 CO 0.05 0.23 0.61 0.37 -2.79 0.00 0.00 178.44 176.91 3hvb h GLN 664 N 0.06 0.86 0.00 2.65 4.15 -0.42 -2.07 115.11 120.34 3hvb h GLN 664 Ca 0.04 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 3hvb h GLN 664 Cb 0.13 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3hvb h GLN 664 CO -0.00 0.57 -0.33 0.00 -1.93 0.00 0.00 178.83 177.13 3hvb h ALA 665 N 1.56 1.07 0.00 3.38 0.00 -0.51 -3.47 119.26 121.29 3hvb h ALA 665 Ca 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hvb h ALA 665 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hvb h ALA 665 CO -0.24 0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3hvb n GLY 666 N 0.05 1.36 3.68 0.00 0.00 -0.66 -4.52 105.19 105.10 3hvb n GLY 666 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3hvb n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hvb n ALA 667 N -0.92 1.07 0.25 4.61 0.00 -1.05 -4.86 120.51 119.61 3hvb n ALA 667 Ca 0.00 0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.85 3hvb n ALA 667 Cb 0.00 -2.53 0.35 0.00 0.00 0.00 0.00 19.45 17.26 3hvb n ALA 667 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hvb h THR 668 N 5.42 0.00 -4.48 0.00 1.35 -1.74 -3.40 112.91 110.07 3hvb h THR 668 Ca -0.49 -0.82 -0.25 0.00 -0.55 0.00 0.00 66.41 64.30 3hvb h THR 668 Cb 1.26 1.82 -0.14 0.00 -1.73 0.00 0.00 68.15 69.37 3hvb h THR 668 CO 0.95 0.00 -0.51 -0.31 -0.25 0.00 0.00 175.52 175.40 3hvb s TYR 669 N -3.36 1.12 -0.11 4.73 2.02 0.11 -1.73 117.35 120.14 3hvb s TYR 669 Ca 0.05 -1.32 -0.30 0.00 -0.37 0.00 0.00 57.07 55.13 3hvb s TYR 669 Cb 0.06 -0.45 0.11 0.00 -0.40 0.00 0.00 41.96 41.28 3hvb s TYR 669 CO 0.62 -0.75 0.89 0.42 -1.57 0.00 0.00 175.55 175.17 3hvb s ILE 670 N -3.98 0.00 -0.28 2.71 1.01 -0.90 -1.99 121.20 117.76 3hvb s ILE 670 Ca 0.36 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 3hvb s ILE 670 Cb 0.05 -1.00 0.11 0.00 0.01 0.00 0.00 42.46 41.63 3hvb s ILE 670 CO 0.14 0.00 0.92 -1.58 0.00 0.00 0.00 174.94 174.42 3hvb s GLN 671 N -1.41 0.59 0.00 2.79 0.74 -0.91 -0.64 119.66 120.82 3hvb s GLN 671 Ca -0.03 0.75 0.00 0.00 0.05 0.00 0.00 55.36 56.13 3hvb s GLN 671 Cb -0.00 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.37 3hvb s GLN 671 CO 0.02 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 3hvb n GLY 672 N 2.65 0.80 0.06 2.59 0.00 -1.26 -0.94 105.19 109.10 3hvb n GLY 672 Ca -0.14 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 3hvb n GLY 672 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hvb h TYR 673 N 0.00 0.01 -0.01 1.61 5.03 -1.69 0.11 116.97 122.03 3hvb h TYR 673 Ca 0.00 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 3hvb h TYR 673 Cb 0.00 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 3hvb h TYR 673 CO 0.00 1.01 -0.20 -0.92 -1.32 0.00 0.00 178.16 176.72 3hvb h TYR 674 N 0.00 0.02 0.06 -3.82 5.03 -1.76 -2.89 116.97 113.61 3hvb h TYR 674 Ca -0.03 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 3hvb h TYR 674 Cb 1.79 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 40.06 3hvb h TYR 674 CO 0.00 0.23 -0.03 -0.07 -1.32 0.00 0.00 178.16 176.97 3hvb h LEU 675 N 0.02 -0.07 -7.00 2.82 4.07 -1.68 -3.49 115.31 109.98 3hvb h LEU 675 Ca 0.00 -0.05 0.16 0.00 0.08 0.00 0.00 57.88 58.07 3hvb h LEU 675 Cb 0.37 0.02 -0.31 0.00 1.08 0.00 0.00 40.66 41.82 3hvb h LEU 675 CO 0.03 0.45 0.66 -1.58 -1.08 0.00 0.00 178.44 176.91 3hvb s GLN 676 N -1.87 0.19 0.99 1.13 0.74 0.38 -5.04 119.66 116.19 3hvb s GLN 676 Ca -0.02 0.29 -0.15 0.00 0.05 0.00 0.00 55.36 55.52 3hvb s GLN 676 Cb -0.00 0.06 0.19 0.00 1.10 0.00 0.00 33.01 34.37 3hvb s GLN 676 CO 0.08 -0.03 1.21 0.20 -0.55 0.00 0.00 175.29 176.19 3hvb s GLY 677 N 0.75 1.66 0.23 2.59 0.00 -1.24 -4.22 107.32 107.09 3hvb s GLY 677 Ca -0.03 -0.92 -0.31 0.00 0.00 0.00 0.00 44.72 43.46 3hvb s GLY 677 CO -0.12 -0.20 1.60 -4.14 0.00 0.00 0.00 173.10 170.24 3hvb s PRO 678 N -5.59 4.17 0.24 2.90 0.02 -1.26 -4.69 135.00 130.79 3hvb s PRO 678 Ca 0.70 2.48 0.06 0.00 0.02 0.00 0.00 61.00 64.25 3hvb s PRO 678 Cb -0.09 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 3hvb s PRO 678 CO 0.53 -0.63 -0.06 0.45 -0.33 0.00 0.00 177.00 176.97 3hvb s SER 679 N 0.84 2.33 0.44 2.53 0.15 0.16 -4.87 113.70 115.30 3hvb s SER 679 Ca 0.68 -1.15 0.23 0.00 0.70 0.00 0.00 55.95 56.40 3hvb s SER 679 Cb -0.46 -0.09 1.00 0.00 -1.71 0.00 0.00 66.02 64.76 3hvb s SER 679 CO 0.38 -0.37 1.88 -0.61 1.20 0.00 0.00 173.24 175.72 3hvb h GLN 680 N 2.44 0.00 -5.44 5.44 5.75 -1.86 0.69 115.11 122.13 3hvb h GLN 680 Ca -0.39 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.59 3hvb h GLN 680 Cb 1.22 0.00 -0.29 0.00 1.07 0.00 0.00 27.48 29.48 3hvb h GLN 680 CO 0.65 0.24 -0.82 0.00 -2.65 0.00 0.00 178.83 176.25 3hvb s ALA 681 N -3.84 1.32 -0.77 3.38 0.00 -1.26 -4.78 121.76 115.81 3hvb s ALA 681 Ca -0.01 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 3hvb s ALA 681 Cb 0.12 -0.35 -0.16 0.00 0.00 0.00 0.00 23.12 22.73 3hvb s ALA 681 CO 0.64 0.31 1.93 -1.33 0.00 0.00 0.00 175.76 177.31 3hvb n MET 682 N 2.76 1.52 -0.08 0.00 2.81 -1.26 -4.54 117.12 118.33 3hvb n MET 682 Ca -0.15 -1.83 -0.16 0.00 -1.81 0.00 0.00 57.70 53.75 3hvb n MET 682 Cb 0.54 -2.90 -0.14 0.00 -0.71 0.00 0.00 33.22 30.02 3hvb n MET 682 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3hvb n ASP 683 N 7.37 1.42 -4.50 7.83 9.92 -1.26 -5.02 116.55 132.31 3hvb n ASP 683 Ca 0.49 0.05 -0.64 0.00 -0.53 0.00 0.00 54.79 54.17 3hvb n ASP 683 Cb 0.40 -0.15 -0.10 0.00 -0.64 0.00 0.00 41.12 40.62 3hvb n ASP 683 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hvb n TYR 684 N -3.17 1.58 -2.33 1.24 4.19 -1.26 -4.89 117.16 112.53 3hvb n TYR 684 Ca -0.36 1.04 -0.43 0.00 3.31 0.00 0.00 57.90 61.47 3hvb n TYR 684 Cb 1.05 -2.17 -0.02 0.00 0.49 0.00 0.00 39.34 38.69 3hvb n TYR 684 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3hvb s ASP 685 N 3.50 6.24 0.00 2.98 -1.08 -1.26 -4.91 116.67 122.13 3hvb s ASP 685 Ca 1.05 0.74 0.11 0.00 -0.52 0.00 0.00 52.55 53.92 3hvb s ASP 685 Cb -1.45 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 37.85 3hvb s ASP 685 CO 0.76 -1.53 1.29 0.49 0.52 0.00 0.00 175.17 176.70 3hvb n PHE 686 N 9.15 0.28 0.43 -5.34 0.99 -1.26 -5.24 117.46 116.48 3hvb n PHE 686 Ca 0.16 -0.14 0.05 0.00 -0.00 0.00 0.00 57.45 57.53 3hvb n PHE 686 Cb 0.48 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 39.01 3hvb n PHE 686 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63