#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwy n LYS 508 N 0.00 0.40 0.00 9.51 4.76 -1.26 -4.98 118.16 126.59 2dwy n LYS 508 Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2dwy n LYS 508 Cb 0.00 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2dwy n LYS 508 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2dwy n PRO 509 N -3.12 3.39 0.00 1.97 -0.02 -1.26 -5.25 135.00 130.71 2dwy n PRO 509 Ca -0.30 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 2dwy n PRO 509 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.27 2dwy n PRO 509 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2dwy n SER 510 N 0.00 0.00 0.00 2.55 7.64 -1.26 -5.04 113.62 117.51 2dwy n SER 510 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dwy n SER 510 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dwy n SER 510 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2dwy n ILE 512 N 0.00 0.00 -2.76 0.44 5.41 -1.26 -5.01 119.36 116.18 2dwy n ILE 512 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 2dwy n ILE 512 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 2dwy n ILE 512 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2dwy s LEU 513 N 0.00 4.04 0.77 1.39 1.43 -1.26 -4.84 118.68 120.21 2dwy s LEU 513 Ca 0.00 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.76 2dwy s LEU 513 Cb 0.00 -4.39 0.05 0.00 0.03 0.00 0.00 46.19 41.88 2dwy s LEU 513 CO 0.00 -0.35 1.10 -2.16 0.23 0.00 0.00 176.35 175.17 2dwy s PRO 514 N -2.87 2.29 -0.12 1.29 0.04 -1.26 -4.82 135.00 129.55 2dwy s PRO 514 Ca 0.59 0.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.24 2dwy s PRO 514 Cb -0.13 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2dwy s PRO 514 CO 0.17 -1.47 -0.09 0.08 0.04 0.00 0.00 177.00 175.74 2dwy s VAL 515 N -3.20 1.14 0.06 -0.36 1.01 -0.58 -4.94 120.40 113.53 2dwy s VAL 515 Ca 0.60 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.90 2dwy s VAL 515 Cb -0.14 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 2dwy s VAL 515 CO 0.54 0.38 1.54 -0.89 0.00 0.00 0.00 175.10 176.66 2dwy s THR 516 N 1.66 3.22 -0.14 3.92 2.01 -1.26 -0.86 115.64 124.19 2dwy s THR 516 Ca 0.05 0.72 0.14 0.00 0.31 0.00 0.00 61.69 62.90 2dwy s THR 516 Cb -0.13 -3.46 -0.19 0.00 0.01 0.00 0.00 72.50 68.73 2dwy s THR 516 CO -0.09 0.01 0.07 1.33 -0.69 0.00 0.00 174.62 175.25 2dwy n VAL 517 N 4.53 0.99 -3.83 3.82 0.24 -0.16 -4.96 118.33 118.97 2dwy n VAL 517 Ca 0.14 -0.63 -0.12 0.00 -2.04 0.00 0.00 64.34 61.70 2dwy n VAL 517 Cb 0.41 -0.57 -0.09 0.00 -1.47 0.00 0.00 33.84 32.13 2dwy n VAL 517 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2dwy s TYR 518 N -2.40 -0.03 -0.37 6.34 5.04 -1.16 -4.92 117.35 119.85 2dwy s TYR 518 Ca -0.07 -0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.49 2dwy s TYR 518 Cb 0.05 0.00 0.19 0.00 0.35 0.00 0.00 41.96 42.55 2dwy s TYR 518 CO 0.62 -0.35 0.94 0.34 -1.34 0.00 0.00 175.55 175.76 2dwy s ASP 519 N -1.51 -0.69 0.01 4.32 3.68 -1.24 -1.65 116.67 119.60 2dwy s ASP 519 Ca -0.13 -0.53 -0.21 0.00 2.13 0.00 0.00 52.55 53.81 2dwy s ASP 519 Cb -0.06 0.89 0.04 0.00 -1.45 0.00 0.00 42.92 42.35 2dwy s ASP 519 CO 0.01 -0.06 0.47 -1.10 0.13 0.00 0.00 175.17 174.63 2dwy s GLN 520 N 1.53 0.92 -1.98 4.34 -0.21 -0.98 -4.89 119.66 118.39 2dwy s GLN 520 Ca 0.19 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.42 2dwy s GLN 520 Cb 0.04 0.42 0.00 0.00 1.00 0.00 0.00 33.01 34.47 2dwy s GLN 520 CO -0.11 -0.30 0.00 0.72 -2.12 0.00 0.00 175.29 173.48 2dwy n HIS 521 N 0.76 -0.35 -0.34 0.91 8.25 -1.26 -0.95 115.22 122.23 2dwy n HIS 521 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2dwy n HIS 521 Cb 0.58 -3.49 0.00 0.00 1.12 0.00 0.00 29.99 28.20 2dwy n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dwy n GLY 522 N -0.55 2.30 3.54 -1.41 0.00 -1.26 -4.65 105.19 103.15 2dwy n GLY 522 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2dwy n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dwy s PHE 523 N -3.32 2.98 -0.03 1.61 5.99 -0.13 -1.57 117.98 123.51 2dwy s PHE 523 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 56.93 57.10 2dwy s PHE 523 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 43.02 39.28 2dwy s PHE 523 CO 0.00 -1.01 0.03 1.03 -0.00 0.00 0.00 175.22 175.28 2dwy s ARG 524 N 3.34 2.95 -0.04 10.12 0.52 -0.50 -2.33 118.95 133.02 2dwy s ARG 524 Ca 0.30 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2dwy s ARG 524 Cb -0.12 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.60 2dwy s ARG 524 CO 0.23 0.66 0.06 0.42 0.02 0.00 0.00 175.30 176.69 2dwy s ILE 525 N -1.07 -0.10 0.20 1.52 1.01 -0.66 -1.69 121.20 120.41 2dwy s ILE 525 Ca 0.19 0.33 0.11 0.00 0.00 0.00 0.00 60.65 61.28 2dwy s ILE 525 Cb -0.12 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2dwy s ILE 525 CO 0.09 0.14 -0.22 -0.76 0.00 0.00 0.00 174.94 174.19 2dwy s LEU 526 N 1.71 2.46 -0.23 2.97 1.02 -0.52 -0.98 118.68 125.11 2dwy s LEU 526 Ca -0.01 -0.89 -0.06 0.00 0.02 0.00 0.00 54.13 53.18 2dwy s LEU 526 Cb -0.12 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 45.00 2dwy s LEU 526 CO -0.03 0.06 0.04 -0.36 0.02 0.00 0.00 176.35 176.08 2dwy s PHE 527 N -1.92 3.07 -0.17 0.29 0.40 -0.04 -1.75 117.98 117.87 2dwy s PHE 527 Ca 0.21 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2dwy s PHE 527 Cb -0.07 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 2dwy s PHE 527 CO 0.10 -0.29 -0.02 -1.01 0.70 0.00 0.00 175.22 174.69 2dwy s HIS 528 N 1.32 3.05 0.12 0.36 3.76 0.85 -1.53 115.29 123.22 2dwy s HIS 528 Ca 0.05 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.63 2dwy s HIS 528 Cb -0.15 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 2dwy s HIS 528 CO 0.02 -0.06 0.33 -0.06 -0.85 0.00 0.00 174.74 174.13 2dwy s PHE 529 N 0.48 3.49 0.12 1.40 0.40 -1.26 -0.41 117.98 122.20 2dwy s PHE 529 Ca -0.03 0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 56.63 2dwy s PHE 529 Cb -0.14 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.48 2dwy s PHE 529 CO 0.02 0.48 0.33 0.00 0.70 0.00 0.00 175.22 176.75 2dwy s ALA 530 N -1.63 -0.61 0.51 5.36 0.00 -0.05 -4.95 121.76 120.39 2dwy s ALA 530 Ca 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 2dwy s ALA 530 Cb -0.12 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 2dwy s ALA 530 CO 0.26 -0.61 0.78 -0.98 0.00 0.00 0.00 175.76 175.21 2dwy s ARG 531 N -3.85 3.11 -0.25 0.00 1.70 -1.25 -1.88 118.95 116.53 2dwy s ARG 531 Ca 0.06 -0.16 -0.39 0.00 -0.47 0.00 0.00 55.73 54.77 2dwy s ARG 531 Cb 0.03 -2.41 -0.15 0.00 -0.57 0.00 0.00 34.95 31.85 2dwy s ARG 531 CO -0.10 -0.42 1.77 -3.47 -1.08 0.00 0.00 175.30 172.01 2dwy n ASP 532 N -2.31 2.59 0.09 -2.89 4.64 -0.08 -4.48 116.55 114.11 2dwy n ASP 532 Ca 0.02 1.06 0.18 0.00 -1.38 0.00 0.00 54.79 54.67 2dwy n ASP 532 Cb 0.57 -1.18 0.72 0.00 -1.04 0.00 0.00 41.12 40.19 2dwy n ASP 532 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2dwy h PRO 533 N 7.60 0.00 -6.38 -0.67 0.13 -1.92 -3.39 132.00 127.37 2dwy h PRO 533 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 2dwy h PRO 533 Cb 1.31 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 2dwy h PRO 533 CO 0.96 0.00 0.90 -0.51 -0.23 0.00 0.00 178.00 179.12 2dwy s LEU 534 N -8.43 3.87 0.28 1.56 1.43 -1.26 -5.01 118.68 111.11 2dwy s LEU 534 Ca -0.05 1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 2dwy s LEU 534 Cb 0.18 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.76 2dwy s LEU 534 CO 0.67 -1.01 1.38 -2.16 0.23 0.00 0.00 176.35 175.46 2dwy s PRO 535 N 3.95 4.31 0.00 1.29 0.04 -1.26 -2.68 135.00 140.65 2dwy s PRO 535 Ca 0.49 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2dwy s PRO 535 Cb -0.13 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2dwy s PRO 535 CO 0.20 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2dwy n GLY 536 N 1.68 2.98 3.90 0.56 0.00 -1.26 -5.05 105.19 108.00 2dwy n GLY 536 Ca 0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2dwy n GLY 536 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dwy s ARG 537 N 0.00 3.65 -0.17 1.61 3.52 -1.09 -5.03 118.95 121.44 2dwy s ARG 537 Ca 0.00 0.14 0.21 0.00 -0.13 0.00 0.00 55.73 55.95 2dwy s ARG 537 Cb 0.00 -2.54 0.47 0.00 -1.56 0.00 0.00 34.95 31.32 2dwy s ARG 537 CO 0.00 0.09 1.15 0.45 -0.81 0.00 0.00 175.30 176.18 2dwy n SER 538 N -1.25 1.77 0.02 -2.12 2.88 -1.26 -4.02 113.62 109.64 2dwy n SER 538 Ca -0.00 -2.36 0.02 0.00 -1.33 0.00 0.00 58.87 55.19 2dwy n SER 538 Cb 0.54 -0.41 -0.10 0.00 -0.75 0.00 0.00 64.21 63.50 2dwy n SER 538 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dwy n ASP 539 N -0.29 0.62 -4.27 -3.46 10.43 -1.26 -4.58 116.55 113.74 2dwy n ASP 539 Ca 0.12 0.27 -0.32 0.00 2.57 0.00 0.00 54.79 57.43 2dwy n ASP 539 Cb 0.93 0.58 -0.16 0.00 1.84 0.00 0.00 41.12 44.30 2dwy n ASP 539 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2dwy s VAL 540 N -3.00 2.13 -0.10 2.53 -7.23 -1.26 -0.63 120.40 112.84 2dwy s VAL 540 Ca -0.04 -1.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.91 2dwy s VAL 540 Cb 0.09 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 2dwy s VAL 540 CO 0.83 0.57 0.49 -0.22 -0.31 0.00 0.00 175.10 176.46 2dwy s LEU 541 N -0.09 4.31 -0.13 1.32 2.96 -0.57 -2.77 118.68 123.72 2dwy s LEU 541 Ca -0.06 0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 54.58 2dwy s LEU 541 Cb -0.14 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 2dwy s LEU 541 CO 0.04 0.03 0.36 -0.69 -1.32 0.00 0.00 176.35 174.77 2dwy s VAL 542 N 0.44 5.24 -0.11 1.68 1.01 -0.79 -1.35 120.40 126.52 2dwy s VAL 542 Ca 0.27 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.95 2dwy s VAL 542 Cb -0.16 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2dwy s VAL 542 CO 0.12 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 2dwy s VAL 543 N 0.27 1.30 -0.32 2.92 1.01 0.94 -0.87 120.40 125.66 2dwy s VAL 543 Ca 0.20 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2dwy s VAL 543 Cb -0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2dwy s VAL 543 CO 0.07 0.41 0.45 -0.69 0.00 0.00 0.00 175.10 175.34 2dwy s VAL 544 N 1.26 5.09 -0.21 2.92 1.01 0.46 0.29 120.40 131.22 2dwy s VAL 544 Ca -0.02 0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 2dwy s VAL 544 Cb -0.14 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2dwy s VAL 544 CO -0.05 -0.06 0.62 -0.69 0.00 0.00 0.00 175.10 174.93 2dwy s VAL 545 N 2.23 5.02 0.03 2.92 1.01 0.58 -0.10 120.40 132.08 2dwy s VAL 545 Ca 0.17 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.36 2dwy s VAL 545 Cb -0.16 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2dwy s VAL 545 CO 0.12 0.10 -0.11 -0.94 0.00 0.00 0.00 175.10 174.26 2dwy s SER 546 N 1.25 4.31 -0.04 3.32 1.04 -0.72 -0.79 113.70 122.08 2dwy s SER 546 Ca 0.28 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 2dwy s SER 546 Cb -0.16 -0.89 0.03 0.00 0.10 0.00 0.00 66.02 65.10 2dwy s SER 546 CO 0.10 0.26 0.04 -0.04 0.98 0.00 0.00 173.24 174.58 2dwy s MET 547 N -1.49 0.04 0.02 4.02 1.00 -0.12 -1.44 119.30 121.33 2dwy s MET 547 Ca 0.17 0.28 0.03 0.00 0.00 0.00 0.00 55.69 56.17 2dwy s MET 547 Cb -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 34.83 34.19 2dwy s MET 547 CO 0.07 -0.28 -0.10 -1.17 0.00 0.00 0.00 175.02 173.55 2dwy s LEU 548 N 1.84 2.12 -0.36 -0.03 0.20 -0.68 -1.41 118.68 120.35 2dwy s LEU 548 Ca 0.01 -0.33 -0.03 0.00 0.69 0.00 0.00 54.13 54.47 2dwy s LEU 548 Cb -0.12 -0.40 0.08 0.00 -0.43 0.00 0.00 46.19 45.32 2dwy s LEU 548 CO -0.03 0.01 0.13 -0.55 -0.29 0.00 0.00 176.35 175.61 2dwy s SER 549 N -0.80 5.15 -0.14 3.68 0.15 -1.26 -1.42 113.70 119.06 2dwy s SER 549 Ca -0.01 -1.67 -0.00 0.00 0.70 0.00 0.00 55.95 54.97 2dwy s SER 549 Cb -0.06 -1.80 0.11 0.00 -1.71 0.00 0.00 66.02 62.56 2dwy s SER 549 CO 0.00 -0.42 1.84 0.35 1.20 0.00 0.00 173.24 176.21 2dwy n THR 550 N 4.63 2.18 -4.46 6.45 -2.24 -0.61 -4.09 114.28 116.14 2dwy n THR 550 Ca -0.07 -0.91 -0.22 0.00 -2.27 0.00 0.00 64.05 60.58 2dwy n THR 550 Cb 0.42 -1.31 -0.14 0.00 -2.10 0.00 0.00 70.33 67.21 2dwy n THR 550 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dwy s ALA 551 N -0.82 1.39 -1.48 6.98 0.00 -1.26 -4.84 121.76 121.73 2dwy s ALA 551 Ca 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2dwy s ALA 551 Cb 0.11 -0.24 0.11 0.00 0.00 0.00 0.00 23.12 23.10 2dwy s ALA 551 CO 0.00 0.29 0.85 -2.30 0.00 0.00 0.00 175.76 174.60 2dwy n PRO 552 N 1.89 0.03 -4.26 0.00 -0.02 -1.26 -1.47 135.00 129.92 2dwy n PRO 552 Ca -0.18 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.32 2dwy n PRO 552 Cb 0.54 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.40 2dwy n PRO 552 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2dwy s GLN 553 N -2.52 1.05 0.31 -0.52 0.74 -1.26 -4.79 119.66 112.66 2dwy s GLN 553 Ca 0.02 -1.11 -0.29 0.00 0.05 0.00 0.00 55.36 54.03 2dwy s GLN 553 Cb 0.01 -1.24 -0.10 0.00 1.10 0.00 0.00 33.01 32.78 2dwy s GLN 553 CO 0.03 0.29 1.17 -1.25 -0.55 0.00 0.00 175.29 174.97 2dwy s PRO 554 N -1.88 4.50 -0.16 1.67 0.04 -1.26 -4.04 135.00 133.87 2dwy s PRO 554 Ca 0.04 1.93 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2dwy s PRO 554 Cb -0.10 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2dwy s PRO 554 CO 0.04 0.04 0.09 0.42 0.04 0.00 0.00 177.00 177.63 2dwy s ILE 555 N -1.19 5.07 0.41 0.56 1.01 -0.28 -4.20 121.20 122.59 2dwy s ILE 555 Ca 0.47 0.06 0.04 0.00 0.00 0.00 0.00 60.65 61.22 2dwy s ILE 555 Cb -0.34 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2dwy s ILE 555 CO 0.44 0.52 0.14 0.00 0.00 0.00 0.00 174.94 176.04 2dwy s ARG 556 N -0.16 1.96 -1.52 2.79 1.70 -0.42 -1.17 118.95 122.12 2dwy s ARG 556 Ca 0.09 -2.20 -0.06 0.00 -0.47 0.00 0.00 55.73 53.09 2dwy s ARG 556 Cb -0.12 -0.56 0.05 0.00 -0.57 0.00 0.00 34.95 33.75 2dwy s ARG 556 CO 0.01 -0.51 0.45 0.09 -1.08 0.00 0.00 175.30 174.26 2dwy n ASN 557 N -1.38 -0.94 -4.67 -2.89 4.13 -1.14 -1.03 115.26 107.34 2dwy n ASN 557 Ca -0.06 -1.06 -0.42 0.00 1.68 0.00 0.00 54.58 54.72 2dwy n ASN 557 Cb 0.65 -2.69 -0.03 0.00 -1.54 0.00 0.00 39.78 36.17 2dwy n ASN 557 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2dwy s ILE 558 N -3.83 4.79 -0.06 2.41 1.01 -0.70 -3.76 121.20 121.05 2dwy s ILE 558 Ca 0.22 1.88 0.01 0.00 0.00 0.00 0.00 60.65 62.76 2dwy s ILE 558 Cb -0.12 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.12 2dwy s ILE 558 CO 0.92 -0.04 -0.06 -0.69 0.00 0.00 0.00 174.94 175.07 2dwy s VAL 559 N 2.38 0.76 -0.19 2.92 1.01 0.13 -4.75 120.40 122.66 2dwy s VAL 559 Ca 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 2dwy s VAL 559 Cb -0.17 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2dwy s VAL 559 CO 0.13 0.29 -0.09 0.12 0.00 0.00 0.00 175.10 175.55 2dwy s PHE 560 N 1.12 2.89 0.26 5.22 5.36 -1.26 -0.59 117.98 130.99 2dwy s PHE 560 Ca -0.07 -0.95 0.11 0.00 -0.96 0.00 0.00 56.93 55.06 2dwy s PHE 560 Cb -0.14 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.48 2dwy s PHE 560 CO -0.01 -0.49 -0.20 -0.65 -1.46 0.00 0.00 175.22 172.42 2dwy s GLN 561 N 1.13 1.62 0.02 10.12 -0.21 0.74 -4.97 119.66 128.10 2dwy s GLN 561 Ca 0.01 -1.73 -0.06 0.00 0.02 0.00 0.00 55.36 53.60 2dwy s GLN 561 Cb -0.14 -1.69 -0.00 0.00 1.00 0.00 0.00 33.01 32.17 2dwy s GLN 561 CO -0.02 0.32 0.11 -1.12 -2.12 0.00 0.00 175.29 172.46 2dwy s SER 562 N -3.41 0.09 0.12 5.90 0.01 -1.26 -1.46 113.70 113.70 2dwy s SER 562 Ca 0.28 -0.34 0.04 0.00 1.31 0.00 0.00 55.95 57.24 2dwy s SER 562 Cb -0.05 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2dwy s SER 562 CO 0.14 -0.42 -0.11 0.00 0.41 0.00 0.00 173.24 173.26 2dwy s ALA 563 N -1.82 1.31 0.03 1.44 0.00 0.11 -4.98 121.76 117.86 2dwy s ALA 563 Ca -0.11 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 2dwy s ALA 563 Cb -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2dwy s ALA 563 CO -0.01 -0.05 0.10 0.14 0.00 0.00 0.00 175.76 175.94 2dwy s VAL 564 N -2.84 0.12 0.69 0.00 -7.23 -1.26 -1.47 120.40 108.41 2dwy s VAL 564 Ca 0.11 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.09 2dwy s VAL 564 Cb -0.00 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 36.03 2dwy s VAL 564 CO 0.00 -0.57 0.24 -0.81 -0.31 0.00 0.00 175.10 173.66 2dwy n PRO 565 N 0.87 0.22 0.29 4.82 -0.04 -1.26 -4.83 135.00 135.06 2dwy n PRO 565 Ca -0.20 0.10 0.18 0.00 -0.04 0.00 0.00 63.50 63.54 2dwy n PRO 565 Cb 0.58 -1.54 0.79 0.00 -0.04 0.00 0.00 33.50 33.29 2dwy n PRO 565 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2dwy h LYS 566 N -0.31 0.00 -0.55 0.54 1.79 -2.01 -2.17 116.57 113.87 2dwy h LYS 566 Ca -0.44 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.06 2dwy h LYS 566 Cb 1.37 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.99 2dwy h LYS 566 CO 0.41 0.02 0.36 -0.24 -1.08 0.00 0.00 179.45 178.92 2dwy h VAL 567 N 0.00 1.06 -5.08 0.50 3.04 -2.00 -3.44 116.25 110.33 2dwy h VAL 567 Ca -0.00 -0.21 -0.49 0.00 -1.01 0.00 0.00 66.70 64.99 2dwy h VAL 567 Cb 0.41 0.38 -0.07 0.00 -2.01 0.00 0.00 31.29 30.00 2dwy h VAL 567 CO 0.00 0.11 -0.31 1.15 -1.01 0.00 0.00 177.57 177.52 2dwy n MET 568 N -4.47 0.97 -4.10 4.17 0.00 -0.81 -4.84 117.12 108.04 2dwy n MET 568 Ca 0.06 -2.79 -0.10 0.00 0.00 0.00 0.00 57.70 54.88 2dwy n MET 568 Cb 0.15 0.57 -0.10 0.00 0.00 0.00 0.00 33.22 33.84 2dwy n MET 568 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2dwy s LYS 569 N -3.56 0.63 -0.01 3.17 -2.85 -0.89 -4.78 119.74 111.46 2dwy s LYS 569 Ca 0.10 -1.09 0.03 0.00 -1.00 0.00 0.00 55.97 54.01 2dwy s LYS 569 Cb -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 37.83 35.72 2dwy s LYS 569 CO 0.06 -0.04 -0.11 0.54 0.10 0.00 0.00 175.35 175.90 2dwy s VAL 570 N -3.01 0.85 -0.06 1.79 0.11 -1.26 -1.25 120.40 117.58 2dwy s VAL 570 Ca 0.02 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2dwy s VAL 570 Cb 0.01 -0.72 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2dwy s VAL 570 CO -0.05 0.24 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.12 2dwy s LYS 571 N -0.21 1.35 -0.14 1.54 2.47 -0.05 -4.98 119.74 119.72 2dwy s LYS 571 Ca 0.03 -0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.16 2dwy s LYS 571 Cb -0.05 -1.18 -0.01 0.00 -1.46 0.00 0.00 37.83 35.13 2dwy s LYS 571 CO -0.00 -0.02 -0.15 -0.51 0.16 0.00 0.00 175.35 174.82 2dwy s LEU 572 N 0.78 2.52 0.39 5.43 1.43 -1.26 -0.42 118.68 127.55 2dwy s LEU 572 Ca -0.13 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 2dwy s LEU 572 Cb -0.15 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2dwy s LEU 572 CO 0.02 0.12 0.71 -1.10 0.23 0.00 0.00 176.35 176.33 2dwy s GLN 573 N 0.62 3.67 0.35 1.70 -1.52 -0.71 -5.03 119.66 118.73 2dwy s GLN 573 Ca -0.09 0.25 -0.26 0.00 -1.95 0.00 0.00 55.36 53.31 2dwy s GLN 573 Cb -0.16 -2.46 -0.12 0.00 -0.22 0.00 0.00 33.01 30.05 2dwy s GLN 573 CO 0.03 -0.01 1.02 -2.30 -0.25 0.00 0.00 175.29 173.77 2dwy n PRO 574 N -1.49 1.41 -1.98 2.91 -0.02 -1.26 -4.51 135.00 130.05 2dwy n PRO 574 Ca 0.01 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 2dwy n PRO 574 Cb 0.54 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 32.10 2dwy n PRO 574 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dwy s PRO 575 N -1.78 3.00 0.54 0.52 0.04 -1.26 -4.70 135.00 131.36 2dwy s PRO 575 Ca 0.60 0.43 0.25 0.00 0.04 0.00 0.00 61.00 62.32 2dwy s PRO 575 Cb -0.62 -2.08 1.50 0.00 0.04 0.00 0.00 34.50 33.34 2dwy s PRO 575 CO 0.59 -0.89 2.13 0.66 0.04 0.00 0.00 177.00 179.53 2dwy h SER 576 N -0.51 0.00 -5.46 6.66 4.64 -0.86 -3.46 113.55 114.56 2dwy h SER 576 Ca -0.45 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.08 2dwy h SER 576 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 2dwy h SER 576 CO 0.63 0.08 0.60 -0.83 -0.87 0.00 0.00 176.83 176.44 2dwy s GLY 577 N -4.15 -0.14 0.00 -0.77 0.00 -1.26 -4.97 107.32 96.03 2dwy s GLY 577 Ca -0.04 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2dwy s GLY 577 CO 0.60 1.08 0.27 2.41 0.00 0.00 0.00 173.10 177.46 2dwy n THR 578 N -0.57 0.00 -4.20 0.90 -1.04 -1.26 -4.93 114.28 103.18 2dwy n THR 578 Ca -0.05 -0.49 -0.17 0.00 -2.04 0.00 0.00 64.05 61.30 2dwy n THR 578 Cb 0.61 1.01 -0.11 0.00 -1.82 0.00 0.00 70.33 70.01 2dwy n THR 578 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dwy s GLU 579 N -0.56 0.90 -0.01 -2.82 2.02 -1.26 -1.73 118.70 115.24 2dwy s GLU 579 Ca 0.00 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2dwy s GLU 579 Cb 0.00 -0.74 0.01 0.00 0.10 0.00 0.00 34.13 33.51 2dwy s GLU 579 CO 0.02 0.14 -0.01 -0.51 0.02 0.00 0.00 175.26 174.92 2dwy s LEU 580 N -2.25 1.65 0.70 1.80 1.43 -0.32 -4.88 118.68 116.81 2dwy s LEU 580 Ca 0.04 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 2dwy s LEU 580 Cb -0.06 -0.12 0.01 0.00 0.03 0.00 0.00 46.19 46.05 2dwy s LEU 580 CO 0.02 -0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.49 2dwy s PRO 581 N 0.40 2.94 0.29 1.29 0.05 -1.26 -1.12 135.00 137.58 2dwy s PRO 581 Ca -0.04 0.54 -0.30 0.00 0.05 0.00 0.00 61.00 61.26 2dwy s PRO 581 Cb -0.06 -2.02 -0.12 0.00 0.05 0.00 0.00 34.50 32.34 2dwy s PRO 581 CO -0.01 -0.99 1.47 0.00 0.05 0.00 0.00 177.00 177.51 2dwy n ALA 582 N -3.00 1.79 -1.57 8.56 0.00 -1.26 -4.67 120.51 120.36 2dwy n ALA 582 Ca 0.07 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.51 2dwy n ALA 582 Cb 0.56 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 2dwy n ALA 582 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2dwy s PHE 583 N -0.27 1.10 -0.40 0.00 2.19 -0.54 -4.93 117.98 115.13 2dwy s PHE 583 Ca 0.63 1.24 -0.15 0.00 0.33 0.00 0.00 56.93 58.99 2dwy s PHE 583 Cb -0.56 -3.69 0.01 0.00 -1.31 0.00 0.00 43.02 37.47 2dwy s PHE 583 CO 0.52 -3.04 0.32 1.21 1.83 0.00 0.00 175.22 176.06 2dwy s ASN 584 N 10.97 6.12 0.60 6.13 3.84 -1.26 -4.79 114.94 136.55 2dwy s ASN 584 Ca 0.99 -0.73 0.29 0.00 0.21 0.00 0.00 52.86 53.61 2dwy s ASN 584 Cb -0.22 -2.17 1.35 0.00 -0.55 0.00 0.00 41.25 39.65 2dwy s ASN 584 CO 0.29 -0.43 1.74 -0.65 -2.79 0.00 0.00 177.10 175.26 2dwy h PRO 585 N 8.61 0.00 0.00 0.43 0.11 -2.03 -2.74 132.00 136.38 2dwy h PRO 585 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dwy h PRO 585 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2dwy h PRO 585 CO 0.72 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.62 2dwy n ILE 586 N -3.57 0.00 -1.42 4.15 2.08 -1.26 -4.97 119.36 114.37 2dwy n ILE 586 Ca 0.12 0.55 -0.35 0.00 0.56 0.00 0.00 62.75 63.63 2dwy n ILE 586 Cb 0.90 -1.47 0.10 0.00 -0.75 0.00 0.00 39.64 38.43 2dwy n ILE 586 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2dwy n VAL 587 N -1.86 3.52 -1.81 1.39 0.31 -1.04 -4.89 118.33 113.96 2dwy n VAL 587 Ca 0.00 -0.36 -0.43 0.00 -0.01 0.00 0.00 64.34 63.55 2dwy n VAL 587 Cb 0.00 -1.34 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 2dwy n VAL 587 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2dwy s HIS 588 N -1.75 1.53 0.13 3.52 3.76 -1.26 -4.81 115.29 116.42 2dwy s HIS 588 Ca 0.78 0.35 -0.34 0.00 -0.15 0.00 0.00 55.06 55.70 2dwy s HIS 588 Cb -0.34 -4.04 -0.14 0.00 1.11 0.00 0.00 32.58 29.17 2dwy s HIS 588 CO 0.45 -3.92 1.56 -0.35 -0.85 0.00 0.00 174.74 171.64 2dwy n PRO 589 N 8.18 2.00 -0.52 8.40 -0.04 -1.26 -4.99 135.00 146.76 2dwy n PRO 589 Ca 0.24 0.72 -0.29 0.00 -0.04 0.00 0.00 63.50 64.13 2dwy n PRO 589 Cb 0.45 -2.48 0.24 0.00 -0.04 0.00 0.00 33.50 31.67 2dwy n PRO 589 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dwy n SER 590 N 3.51 -1.60 -3.66 3.54 7.64 -1.26 -5.09 113.62 116.69 2dwy n SER 590 Ca 0.18 -0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.85 2dwy n SER 590 Cb 0.27 -1.25 -0.08 0.00 -1.01 0.00 0.00 64.21 62.14 2dwy n SER 590 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dwy s ALA 591 N -2.41 -1.57 -0.04 -0.43 0.00 -1.26 -4.73 121.76 111.32 2dwy s ALA 591 Ca 0.67 1.93 -0.18 0.00 0.00 0.00 0.00 51.96 54.39 2dwy s ALA 591 Cb -0.24 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 2dwy s ALA 591 CO 0.65 -0.32 0.48 0.42 0.00 0.00 0.00 175.76 176.99 2dwy s ILE 592 N 0.93 5.04 0.01 0.00 1.01 -0.50 -4.93 121.20 122.76 2dwy s ILE 592 Ca -0.05 0.99 0.07 0.00 0.00 0.00 0.00 60.65 61.66 2dwy s ILE 592 Cb -0.05 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2dwy s ILE 592 CO -0.08 0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 174.21 2dwy s THR 593 N -0.25 1.68 -0.12 2.92 2.01 -1.26 -0.95 115.64 119.67 2dwy s THR 593 Ca 0.26 -1.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 2dwy s THR 593 Cb -0.17 -1.42 0.05 0.00 0.01 0.00 0.00 72.50 70.97 2dwy s THR 593 CO 0.13 0.37 0.28 -1.58 -0.69 0.00 0.00 174.62 173.13 2dwy s GLN 594 N -0.77 0.23 0.06 4.92 0.74 0.03 -0.08 119.66 124.79 2dwy s GLN 594 Ca 0.08 0.62 -0.18 0.00 0.05 0.00 0.00 55.36 55.93 2dwy s GLN 594 Cb -0.08 -0.08 -0.07 0.00 1.10 0.00 0.00 33.01 33.88 2dwy s GLN 594 CO 0.00 -0.18 0.54 0.14 -0.55 0.00 0.00 175.29 175.24 2dwy s VAL 595 N 1.50 4.79 -0.03 1.34 -7.23 -1.26 -0.31 120.40 119.20 2dwy s VAL 595 Ca -0.08 1.14 0.04 0.00 -1.81 0.00 0.00 61.98 61.28 2dwy s VAL 595 Cb -0.10 -3.86 -0.00 0.00 0.56 0.00 0.00 36.38 32.97 2dwy s VAL 595 CO -0.09 0.55 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.88 2dwy s LEU 596 N -1.13 1.89 -0.12 1.32 0.20 0.15 -1.74 118.68 119.25 2dwy s LEU 596 Ca 0.28 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.83 2dwy s LEU 596 Cb -0.19 -0.84 0.01 0.00 -0.43 0.00 0.00 46.19 44.74 2dwy s LEU 596 CO 0.18 0.13 -0.21 -0.76 -0.29 0.00 0.00 176.35 175.40 2dwy s LEU 597 N 0.04 2.02 -0.40 -0.68 1.43 0.44 -0.04 118.68 121.48 2dwy s LEU 597 Ca -0.03 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2dwy s LEU 597 Cb -0.10 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 44.85 2dwy s LEU 597 CO 0.01 0.09 0.22 -0.22 0.23 0.00 0.00 176.35 176.68 2dwy s LEU 598 N 0.73 5.04 -0.51 1.79 1.98 -0.46 -0.87 118.68 126.38 2dwy s LEU 598 Ca -0.10 -1.59 -0.19 0.00 -2.89 0.00 0.00 54.13 49.36 2dwy s LEU 598 Cb -0.16 -1.93 0.06 0.00 0.66 0.00 0.00 46.19 44.83 2dwy s LEU 598 CO 0.01 -0.51 0.63 0.00 -1.89 0.00 0.00 176.35 174.59 2dwy s ALA 599 N 1.35 3.39 -0.61 5.97 0.00 -0.38 -1.50 121.76 129.98 2dwy s ALA 599 Ca 0.03 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.27 2dwy s ALA 599 Cb -0.23 -3.37 0.23 0.00 0.00 0.00 0.00 23.12 19.75 2dwy s ALA 599 CO 0.00 -2.04 0.64 -1.71 0.00 0.00 0.00 175.76 172.65 2dwy n ASN 600 N 6.19 2.86 0.25 0.00 5.15 0.20 -2.09 115.26 127.82 2dwy n ASN 600 Ca -0.07 -3.23 0.12 0.00 -0.60 0.00 0.00 54.58 50.80 2dwy n ASN 600 Cb 0.45 -0.68 0.65 0.00 -0.53 0.00 0.00 39.78 39.67 2dwy n ASN 600 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2dwy h PRO 601 N 4.47 0.00 -0.10 1.20 0.13 -1.90 -2.61 132.00 133.20 2dwy h PRO 601 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2dwy h PRO 601 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2dwy h PRO 601 CO 0.73 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.70 2dwy n GLN 602 N -3.55 1.41 -3.22 0.86 3.00 -1.26 -4.93 117.38 109.68 2dwy n GLN 602 Ca -0.01 -0.61 -0.22 0.00 -0.01 0.00 0.00 57.00 56.14 2dwy n GLN 602 Cb 0.30 -1.34 0.01 0.00 0.00 0.00 0.00 30.24 29.21 2dwy n GLN 602 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2dwy n LYS 603 N -0.16 -3.74 -1.51 -1.09 4.76 -0.99 -4.98 118.16 110.45 2dwy n LYS 603 Ca 0.15 0.60 -0.29 0.00 -2.87 0.00 0.00 58.31 55.89 2dwy n LYS 603 Cb 0.21 -5.34 0.13 0.00 -1.84 0.00 0.00 35.03 28.18 2dwy n LYS 603 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dwy s GLU 604 N -5.88 1.37 0.77 1.97 0.41 -1.26 -4.91 118.70 111.17 2dwy s GLU 604 Ca 0.35 0.41 -0.13 0.00 -0.41 0.00 0.00 54.97 55.20 2dwy s GLU 604 Cb -0.18 -1.85 0.06 0.00 -1.78 0.00 0.00 34.13 30.38 2dwy s GLU 604 CO 0.43 -2.07 1.16 0.15 -0.49 0.00 0.00 175.26 174.45 2dwy s LYS 605 N -5.22 2.02 -0.23 1.61 1.02 -1.26 -4.87 119.74 112.81 2dwy s LYS 605 Ca 0.63 1.56 -0.03 0.00 0.02 0.00 0.00 55.97 58.15 2dwy s LYS 605 Cb -0.15 -1.84 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2dwy s LYS 605 CO 0.54 -1.89 -0.06 0.14 -0.92 0.00 0.00 175.35 173.16 2dwy s VAL 606 N -2.34 3.08 -0.31 3.17 -7.23 -1.26 -5.02 120.40 110.49 2dwy s VAL 606 Ca 0.69 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 60.08 2dwy s VAL 606 Cb -0.24 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.34 2dwy s VAL 606 CO 0.49 0.32 0.14 -0.13 -0.31 0.00 0.00 175.10 175.62 2dwy s ARG 607 N 1.40 0.42 -0.10 4.82 3.00 -1.26 -4.58 118.95 122.65 2dwy s ARG 607 Ca 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 55.73 54.89 2dwy s ARG 607 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 34.95 33.34 2dwy s ARG 607 CO -0.04 -1.05 -0.06 -1.17 0.00 0.00 0.00 175.30 172.97 2dwy s LEU 608 N 1.73 3.17 -0.17 2.53 0.20 -0.55 -4.02 118.68 121.56 2dwy s LEU 608 Ca 0.11 -0.08 -0.00 0.00 0.69 0.00 0.00 54.13 54.86 2dwy s LEU 608 Cb -0.18 -1.72 0.00 0.00 -0.43 0.00 0.00 46.19 43.87 2dwy s LEU 608 CO -0.26 0.29 -0.15 -0.60 -0.29 0.00 0.00 176.35 175.34 2dwy s ARG 609 N -0.35 3.19 0.26 1.98 3.52 -0.55 -0.88 118.95 126.12 2dwy s ARG 609 Ca 0.05 -0.75 0.08 0.00 -0.13 0.00 0.00 55.73 54.98 2dwy s ARG 609 Cb -0.12 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2dwy s ARG 609 CO 0.02 -0.05 0.12 1.52 -0.81 0.00 0.00 175.30 176.10 2dwy s TYR 610 N 0.99 2.95 -0.09 5.12 1.13 -0.59 0.10 117.35 126.95 2dwy s TYR 610 Ca -0.02 -0.15 0.02 0.00 -1.41 0.00 0.00 57.07 55.50 2dwy s TYR 610 Cb -0.15 -1.32 0.02 0.00 -1.10 0.00 0.00 41.96 39.41 2dwy s TYR 610 CO -0.03 0.56 -0.13 0.21 -2.51 0.00 0.00 175.55 173.66 2dwy s LYS 611 N -3.77 1.87 -0.17 -3.49 2.20 -0.53 -2.52 119.74 113.34 2dwy s LYS 611 Ca 0.32 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 2dwy s LYS 611 Cb -0.07 -1.63 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 2dwy s LYS 611 CO 0.23 -0.06 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.87 2dwy s LEU 612 N 0.99 2.66 -0.09 5.43 0.20 0.63 -0.19 118.68 128.31 2dwy s LEU 612 Ca -0.08 -0.40 0.05 0.00 0.69 0.00 0.00 54.13 54.38 2dwy s LEU 612 Cb -0.15 -1.63 -0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2dwy s LEU 612 CO -0.01 0.08 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.00 2dwy s THR 613 N 0.85 2.09 0.02 3.68 2.01 0.25 -0.23 115.64 124.31 2dwy s THR 613 Ca -0.03 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.66 2dwy s THR 613 Cb -0.15 -1.78 0.08 0.00 0.01 0.00 0.00 72.50 70.66 2dwy s THR 613 CO 0.00 0.56 0.70 0.72 -0.69 0.00 0.00 174.62 175.92 2dwy s PHE 614 N 0.18 -0.55 -0.26 4.92 -0.71 -0.99 -0.69 117.98 119.88 2dwy s PHE 614 Ca -0.14 0.68 -0.02 0.00 -1.04 0.00 0.00 56.93 56.41 2dwy s PHE 614 Cb -0.17 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2dwy s PHE 614 CO 0.07 -0.67 -0.03 0.99 -1.34 0.00 0.00 175.22 174.24 2dwy s THR 615 N -2.36 3.04 -0.84 -4.49 2.01 -0.19 -1.24 115.64 111.56 2dwy s THR 615 Ca -0.04 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 2dwy s THR 615 Cb -0.01 -2.57 0.21 0.00 0.01 0.00 0.00 72.50 70.14 2dwy s THR 615 CO -0.02 0.15 0.72 -0.32 -0.69 0.00 0.00 174.62 174.46 2dwy s MET 616 N 1.34 3.20 7.53 4.92 0.00 -0.91 -1.30 119.30 134.09 2dwy s MET 616 Ca -0.00 -3.04 0.00 0.00 0.00 0.00 0.00 55.69 52.65 2dwy s MET 616 Cb -0.17 -3.98 0.00 0.00 0.00 0.00 0.00 34.83 30.68 2dwy s MET 616 CO -0.03 -1.24 0.00 0.41 0.00 0.00 0.00 175.02 174.16 2dwy n GLY 617 N 2.75 2.63 0.28 2.11 0.00 -1.26 -2.84 105.19 108.86 2dwy n GLY 617 Ca 0.18 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 46.15 2dwy n GLY 617 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dwy h ASP 618 N 0.00 0.00 -3.38 1.61 1.82 -1.99 -3.45 116.42 111.04 2dwy h ASP 618 Ca 0.00 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 55.98 2dwy h ASP 618 Cb 0.00 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 39.88 2dwy h ASP 618 CO 0.00 0.05 -0.66 -1.10 -1.61 0.00 0.00 179.24 175.92 2dwy s GLN 619 N -3.84 2.57 -0.00 0.28 -1.52 -1.13 -5.13 119.66 110.89 2dwy s GLN 619 Ca -0.01 -0.80 0.05 0.00 -1.95 0.00 0.00 55.36 52.66 2dwy s GLN 619 Cb 0.11 -2.55 -0.01 0.00 -0.22 0.00 0.00 33.01 30.33 2dwy s GLN 619 CO 0.54 0.56 -0.16 0.99 -0.25 0.00 0.00 175.29 176.97 2dwy s THR 620 N -1.25 1.25 -0.01 -0.19 2.01 -1.26 -2.13 115.64 114.06 2dwy s THR 620 Ca 0.24 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.57 2dwy s THR 620 Cb -0.12 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 2dwy s THR 620 CO 0.16 0.31 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.90 2dwy s TYR 621 N -0.44 1.72 -0.31 4.92 2.02 -0.38 -5.02 117.35 119.87 2dwy s TYR 621 Ca 0.06 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 2dwy s TYR 621 Cb -0.06 -1.10 0.09 0.00 -0.40 0.00 0.00 41.96 40.49 2dwy s TYR 621 CO -0.00 -0.02 0.06 -0.80 -1.57 0.00 0.00 175.55 173.21 2dwy s ASN 622 N -0.48 4.25 -0.03 2.29 -0.87 -1.25 -2.35 114.94 116.50 2dwy s ASN 622 Ca 0.07 -1.75 -0.07 0.00 -1.57 0.00 0.00 52.86 49.55 2dwy s ASN 622 Cb -0.07 -1.18 -0.05 0.00 -0.02 0.00 0.00 41.25 39.93 2dwy s ASN 622 CO -0.01 -0.38 0.23 -1.61 -2.57 0.00 0.00 177.10 172.77 2dwy s GLU 623 N 1.33 3.55 -0.00 -0.60 0.41 0.68 -4.91 118.70 119.15 2dwy s GLU 623 Ca 0.08 -0.09 0.07 0.00 -0.41 0.00 0.00 54.97 54.62 2dwy s GLU 623 Cb -0.18 -3.12 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 2dwy s GLU 623 CO -0.16 0.69 -0.22 1.41 -0.49 0.00 0.00 175.26 176.50 2dwy s MET 624 N -1.53 2.14 0.24 1.61 1.75 -1.26 -0.27 119.30 121.98 2dwy s MET 624 Ca 0.24 -0.92 -0.19 0.00 -1.25 0.00 0.00 55.69 53.57 2dwy s MET 624 Cb -0.13 -2.14 0.02 0.00 2.84 0.00 0.00 34.83 35.42 2dwy s MET 624 CO 0.13 0.56 0.63 0.20 -0.65 0.00 0.00 175.02 175.89 2dwy s GLY 625 N -0.93 -0.06 0.18 2.11 0.00 -1.05 -5.02 107.32 102.55 2dwy s GLY 625 Ca 0.12 -0.28 0.10 0.00 0.00 0.00 0.00 44.72 44.65 2dwy s GLY 625 CO 0.01 -0.18 -0.21 0.99 0.00 0.00 0.00 173.10 173.72 2dwy s ASP 626 N -2.90 3.02 -0.03 1.64 1.01 -1.26 -1.55 116.67 116.60 2dwy s ASP 626 Ca 0.11 -0.86 0.00 0.00 0.71 0.00 0.00 52.55 52.52 2dwy s ASP 626 Cb -0.04 -0.20 0.03 0.00 1.01 0.00 0.00 42.92 43.72 2dwy s ASP 626 CO 0.03 0.04 0.02 -0.69 0.21 0.00 0.00 175.17 174.78 2dwy s VAL 627 N -1.83 0.03 0.00 -1.27 1.01 -0.06 -4.99 120.40 113.29 2dwy s VAL 627 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2dwy s VAL 627 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2dwy s VAL 627 CO 0.08 0.12 0.09 -0.90 0.00 0.00 0.00 175.10 174.49 2dwy n ASP 628 N 4.25 0.18 -3.85 3.32 5.75 -1.26 -1.49 116.55 123.46 2dwy n ASP 628 Ca -0.26 -0.65 -0.42 0.00 -0.01 0.00 0.00 54.79 53.46 2dwy n ASP 628 Cb 0.50 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2dwy n ASP 628 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dwy n GLN 629 N -0.13 2.91 -4.14 0.11 6.02 -1.26 -4.88 117.38 116.00 2dwy n GLN 629 Ca 0.00 -2.70 -0.27 0.00 -0.01 0.00 0.00 57.00 54.02 2dwy n GLN 629 Cb 0.10 -3.32 -0.07 0.00 1.02 0.00 0.00 30.24 27.98 2dwy n GLN 629 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2dwy s PHE 630 N 3.32 2.99 0.63 1.08 0.40 -1.26 -4.94 117.98 120.20 2dwy s PHE 630 Ca 0.48 -0.07 -0.17 0.00 -0.60 0.00 0.00 56.93 56.56 2dwy s PHE 630 Cb 0.13 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 2dwy s PHE 630 CO -0.07 0.52 1.19 -1.25 0.70 0.00 0.00 175.22 176.31 2dwy s PRO 631 N -2.99 2.79 0.23 0.24 0.04 -1.26 -4.95 135.00 129.10 2dwy s PRO 631 Ca 0.29 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2dwy s PRO 631 Cb -0.10 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 2dwy s PRO 631 CO 0.21 -1.33 1.16 -2.30 0.04 0.00 0.00 177.00 174.79 2dwy n PRO 632 N -1.94 1.42 -0.08 0.56 -0.02 -1.26 -4.90 135.00 128.77 2dwy n PRO 632 Ca 0.13 0.50 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 2dwy n PRO 632 Cb 0.50 -1.99 0.58 0.00 -0.02 0.00 0.00 33.50 32.57 2dwy n PRO 632 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2dwy h PRO 633 N 3.07 0.24 -0.18 0.52 0.11 -1.90 -1.94 132.00 131.92 2dwy h PRO 633 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2dwy h PRO 633 Cb 1.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2dwy h PRO 633 CO 0.68 0.16 0.00 -1.91 -0.21 0.00 0.00 178.00 176.72 2dwy n GLU 634 N -4.44 0.93 0.00 1.05 0.00 -1.26 -2.72 120.64 114.21 2dwy n GLU 634 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.29 2dwy n GLU 634 Cb 0.53 -1.09 -0.01 0.00 0.00 0.00 0.00 31.44 30.87 2dwy n GLU 634 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2dwy n THR 635 N -0.40 0.00 0.29 6.31 -1.04 -0.73 -4.70 114.28 114.01 2dwy n THR 635 Ca 0.00 -0.45 0.18 0.00 -2.04 0.00 0.00 64.05 61.74 2dwy n THR 635 Cb 0.04 1.01 0.75 0.00 -1.82 0.00 0.00 70.33 70.32 2dwy n THR 635 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 2dwy h TRP 636 N 0.13 0.00 -0.01 -1.42 4.06 -1.59 -2.13 115.95 114.99 2dwy h TRP 636 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2dwy h TRP 636 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2dwy h TRP 636 CO 0.00 0.00 -0.35 0.41 -3.56 0.00 0.00 178.44 174.94 2dwy n GLY 637 N -0.14 -0.25 0.29 1.49 0.00 -1.26 -0.90 105.19 104.42 2dwy n GLY 637 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.55 2dwy n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dwy n SER 638 N -0.29 1.15 0.00 1.61 3.41 -0.85 -4.76 113.62 113.89 2dwy n SER 638 Ca 0.11 -2.53 0.09 0.00 -0.26 0.00 0.00 58.87 56.28 2dwy n SER 638 Cb 0.41 -0.31 0.52 0.00 -0.26 0.00 0.00 64.21 64.56 2dwy n SER 638 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06