#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwy s ILE 512 N 0.00 4.87 0.24 1.53 -1.09 -1.26 -5.05 121.20 120.44 2dwy s ILE 512 Ca 0.00 1.60 0.08 0.00 -2.23 0.00 0.00 60.65 60.10 2dwy s ILE 512 Cb 0.00 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 2dwy s ILE 512 CO 0.00 -0.01 0.07 -0.76 -1.23 0.00 0.00 174.94 173.01 2dwy s LEU 513 N 2.39 3.45 0.46 2.97 1.43 -1.26 -4.97 118.68 123.15 2dwy s LEU 513 Ca 0.37 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2dwy s LEU 513 Cb -0.16 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 2dwy s LEU 513 CO 0.10 0.01 1.26 -2.65 0.23 0.00 0.00 176.35 175.30 2dwy n PRO 514 N -0.79 1.80 -4.52 1.29 -0.02 -1.26 -4.83 135.00 126.68 2dwy n PRO 514 Ca -0.08 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 2dwy n PRO 514 Cb 0.58 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 2dwy n PRO 514 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2dwy s VAL 515 N -1.24 3.78 -0.26 -1.45 -7.23 -0.60 -4.94 120.40 108.46 2dwy s VAL 515 Ca 0.64 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 60.10 2dwy s VAL 515 Cb -0.49 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2dwy s VAL 515 CO 0.56 0.54 1.16 -0.89 -0.31 0.00 0.00 175.10 176.16 2dwy s THR 516 N -0.15 4.41 -0.15 5.32 2.01 -1.26 -0.75 115.64 125.06 2dwy s THR 516 Ca 0.02 1.66 0.09 0.00 0.31 0.00 0.00 61.69 63.77 2dwy s THR 516 Cb -0.13 -4.23 -0.23 0.00 0.01 0.00 0.00 72.50 67.92 2dwy s THR 516 CO 0.03 -0.33 0.23 0.52 -0.69 0.00 0.00 174.62 174.38 2dwy n VAL 517 N 5.70 1.55 -3.82 3.82 0.31 0.16 -4.96 118.33 121.10 2dwy n VAL 517 Ca 0.13 -0.75 -0.13 0.00 -0.01 0.00 0.00 64.34 63.59 2dwy n VAL 517 Cb 0.46 -1.06 -0.13 0.00 -0.91 0.00 0.00 33.84 32.20 2dwy n VAL 517 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2dwy s TYR 518 N -2.54 -0.13 -0.41 3.52 5.04 -0.95 -4.95 117.35 116.93 2dwy s TYR 518 Ca -0.16 0.33 0.06 0.00 -2.44 0.00 0.00 57.07 54.86 2dwy s TYR 518 Cb 0.07 0.01 0.17 0.00 0.35 0.00 0.00 41.96 42.57 2dwy s TYR 518 CO 0.77 -0.08 0.54 0.34 -1.34 0.00 0.00 175.55 175.78 2dwy s ASP 519 N 0.27 -0.43 -0.08 4.32 3.68 -1.25 -0.75 116.67 122.44 2dwy s ASP 519 Ca -0.02 -1.28 -0.16 0.00 2.13 0.00 0.00 52.55 53.23 2dwy s ASP 519 Cb -0.03 1.35 0.03 0.00 -1.45 0.00 0.00 42.92 42.83 2dwy s ASP 519 CO -0.01 -0.19 0.38 -1.10 0.13 0.00 0.00 175.17 174.39 2dwy s GLN 520 N 1.51 0.61 0.00 4.34 -0.21 -0.88 -4.90 119.66 120.13 2dwy s GLN 520 Ca 0.19 0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.75 2dwy s GLN 520 Cb -0.07 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.22 2dwy s GLN 520 CO -0.05 -0.14 0.00 0.72 -2.12 0.00 0.00 175.29 173.70 2dwy n HIS 521 N 1.96 0.00 -0.15 0.91 8.25 -1.26 -0.42 115.22 124.52 2dwy n HIS 521 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2dwy n HIS 521 Cb 0.57 -1.76 0.00 0.00 1.12 0.00 0.00 29.99 29.91 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 0.51 0.64 3.60 -1.41 0.00 -1.26 -3.95 105.19 103.32 2dwy n GLY 522 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.37 3.24 -0.14 1.61 5.99 0.44 -0.76 117.98 125.98 2dwy s PHE 523 Ca 0.00 0.45 0.02 0.00 0.00 0.00 0.00 56.93 57.40 2dwy s PHE 523 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 43.02 40.30 2dwy s PHE 523 CO 0.00 -0.33 -0.19 1.03 -0.00 0.00 0.00 175.22 175.73 2dwy s ARG 524 N 2.26 2.68 -0.25 10.12 0.52 -0.70 -2.07 118.95 131.52 2dwy s ARG 524 Ca 0.19 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.64 2dwy s ARG 524 Cb -0.16 -2.26 0.01 0.00 0.52 0.00 0.00 34.95 33.06 2dwy s ARG 524 CO 0.10 -0.10 -0.03 0.42 0.02 0.00 0.00 175.30 175.71 2dwy s ILE 525 N 1.07 3.27 0.07 1.52 1.01 0.07 -1.95 121.20 126.25 2dwy s ILE 525 Ca -0.03 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.94 2dwy s ILE 525 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2dwy s ILE 525 CO -0.05 0.27 -0.14 -0.76 0.00 0.00 0.00 174.94 174.25 2dwy s LEU 526 N 1.42 2.82 -0.28 2.97 1.02 -0.22 -0.66 118.68 125.75 2dwy s LEU 526 Ca 0.03 -0.40 -0.11 0.00 0.02 0.00 0.00 54.13 53.67 2dwy s LEU 526 Cb -0.16 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 2dwy s LEU 526 CO -0.03 0.22 0.18 -0.36 0.02 0.00 0.00 176.35 176.39 2dwy s PHE 527 N -1.06 3.22 -0.23 0.29 0.08 0.07 -1.79 117.98 118.57 2dwy s PHE 527 Ca 0.17 0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.25 2dwy s PHE 527 Cb -0.11 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 2dwy s PHE 527 CO 0.09 -0.15 0.11 -1.01 -0.10 0.00 0.00 175.22 174.16 2dwy s HIS 528 N 1.69 3.21 0.02 0.36 3.76 0.12 -1.56 115.29 122.90 2dwy s HIS 528 Ca 0.07 -0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 54.80 2dwy s HIS 528 Cb -0.16 -2.21 -0.06 0.00 1.11 0.00 0.00 32.58 31.26 2dwy s HIS 528 CO 0.10 -0.06 0.45 -0.06 -0.85 0.00 0.00 174.74 174.32 2dwy s PHE 529 N 1.08 3.74 0.24 1.40 0.40 -1.26 -0.17 117.98 123.42 2dwy s PHE 529 Ca 0.05 1.05 -0.15 0.00 -0.60 0.00 0.00 56.93 57.29 2dwy s PHE 529 Cb -0.14 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.06 2dwy s PHE 529 CO 0.04 0.62 0.53 0.00 0.70 0.00 0.00 175.22 177.11 2dwy s ALA 530 N -1.11 -0.52 0.33 5.36 0.00 0.41 -4.96 121.76 121.26 2dwy s ALA 530 Ca 0.26 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.63 2dwy s ALA 530 Cb -0.17 0.99 -0.06 0.00 0.00 0.00 0.00 23.12 23.88 2dwy s ALA 530 CO 0.15 -0.88 -0.04 -0.98 0.00 0.00 0.00 175.76 174.01 2dwy s ARG 531 N -3.98 1.98 0.28 0.00 1.70 -1.26 -0.91 118.95 116.76 2dwy s ARG 531 Ca 0.18 -1.77 -0.30 0.00 -0.47 0.00 0.00 55.73 53.37 2dwy s ARG 531 Cb -0.02 -1.87 -0.13 0.00 -0.57 0.00 0.00 34.95 32.36 2dwy s ARG 531 CO 0.07 0.18 1.40 -0.40 -1.08 0.00 0.00 175.30 175.47 2dwy n ASP 532 N -0.87 2.90 0.05 -2.89 5.75 -1.26 -4.85 116.55 115.38 2dwy n ASP 532 Ca -0.05 1.16 0.09 0.00 -0.01 0.00 0.00 54.79 55.99 2dwy n ASP 532 Cb 0.62 -1.47 0.39 0.00 -1.03 0.00 0.00 41.12 39.64 2dwy n ASP 532 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2dwy n PRO 533 N 1.61 0.07 -3.67 0.11 -0.04 -1.26 -4.59 135.00 127.24 2dwy n PRO 533 Ca 0.09 0.29 -0.37 0.00 -0.04 0.00 0.00 63.50 63.46 2dwy n PRO 533 Cb 0.33 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 2dwy n PRO 533 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dwy s LEU 534 N -3.53 4.43 -0.84 1.53 1.43 -1.26 -4.98 118.68 115.46 2dwy s LEU 534 Ca 0.07 0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 53.73 2dwy s LEU 534 Cb 0.10 -2.42 -0.21 0.00 0.03 0.00 0.00 46.19 43.69 2dwy s LEU 534 CO 0.34 0.34 2.19 -2.65 0.23 0.00 0.00 176.35 176.80 2dwy n PRO 535 N 1.78 0.28 0.00 1.29 -0.02 -1.26 -4.83 135.00 132.23 2dwy n PRO 535 Ca -0.16 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 2dwy n PRO 535 Cb 0.53 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2dwy n PRO 535 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dwy n GLY 536 N 6.12 5.23 3.75 -1.23 0.00 -1.26 -5.10 105.19 112.69 2dwy n GLY 536 Ca 0.50 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 2dwy n GLY 536 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dwy s ARG 537 N 1.94 4.54 -0.12 1.61 0.52 -1.26 -4.96 118.95 121.22 2dwy s ARG 537 Ca 0.00 1.14 0.01 0.00 -0.52 0.00 0.00 55.73 56.37 2dwy s ARG 537 Cb 0.00 -3.35 0.19 0.00 0.52 0.00 0.00 34.95 32.31 2dwy s ARG 537 CO 0.00 0.31 1.23 0.45 0.02 0.00 0.00 175.30 177.31 2dwy n SER 538 N 2.62 3.14 -0.01 0.23 2.88 -1.26 -3.58 113.62 117.64 2dwy n SER 538 Ca -0.02 -2.43 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 2dwy n SER 538 Cb 0.50 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2dwy n SER 538 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2dwy n ASP 539 N 0.05 1.57 -4.04 -3.46 5.68 -1.26 -4.45 116.55 110.63 2dwy n ASP 539 Ca 0.16 -1.55 -0.24 0.00 -0.50 0.00 0.00 54.79 52.66 2dwy n ASP 539 Cb 0.80 -0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.62 2dwy n ASP 539 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2dwy s VAL 540 N -0.56 1.13 -0.17 2.12 0.11 -1.23 -2.38 120.40 119.42 2dwy s VAL 540 Ca 0.00 -0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 58.49 2dwy s VAL 540 Cb 0.00 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2dwy s VAL 540 CO 0.00 0.35 0.01 -0.22 -3.33 0.00 0.00 175.10 171.91 2dwy s LEU 541 N 0.45 3.55 -0.42 2.54 2.96 -0.62 -4.86 118.68 122.28 2dwy s LEU 541 Ca -0.10 -0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 2dwy s LEU 541 Cb -0.14 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.70 2dwy s LEU 541 CO 0.03 0.18 0.50 -0.69 -1.32 0.00 0.00 176.35 175.05 2dwy s VAL 542 N 0.30 5.00 -0.36 1.68 1.01 -0.08 -0.46 120.40 127.49 2dwy s VAL 542 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2dwy s VAL 542 Cb -0.13 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2dwy s VAL 542 CO 0.02 -0.46 0.20 -0.69 0.00 0.00 0.00 175.10 174.17 2dwy s VAL 543 N 2.36 4.70 -0.33 2.92 1.01 -0.11 -0.45 120.40 130.51 2dwy s VAL 543 Ca 0.16 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 2dwy s VAL 543 Cb -0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2dwy s VAL 543 CO 0.15 -0.15 0.30 -0.69 0.00 0.00 0.00 175.10 174.71 2dwy s VAL 544 N 1.59 5.23 -0.35 2.92 1.01 0.77 -0.88 120.40 130.69 2dwy s VAL 544 Ca 0.03 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 2dwy s VAL 544 Cb -0.18 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2dwy s VAL 544 CO 0.07 0.01 0.55 -0.69 0.00 0.00 0.00 175.10 175.04 2dwy s VAL 545 N 1.89 4.97 -0.14 2.92 1.01 0.70 0.14 120.40 131.90 2dwy s VAL 545 Ca 0.09 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 2dwy s VAL 545 Cb -0.17 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2dwy s VAL 545 CO 0.11 -0.25 0.05 -0.94 0.00 0.00 0.00 175.10 174.07 2dwy s SER 546 N 1.77 5.55 -0.23 3.32 1.04 -0.74 -1.15 113.70 123.27 2dwy s SER 546 Ca 0.21 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.79 2dwy s SER 546 Cb -0.15 -1.80 0.06 0.00 0.10 0.00 0.00 66.02 64.22 2dwy s SER 546 CO 0.14 0.28 -0.06 -0.04 0.98 0.00 0.00 173.24 174.54 2dwy s MET 547 N -0.28 1.65 -0.06 4.02 -1.94 -0.20 -1.06 119.30 121.43 2dwy s MET 547 Ca 0.08 -0.95 0.05 0.00 -1.71 0.00 0.00 55.69 53.15 2dwy s MET 547 Cb -0.12 -2.54 -0.00 0.00 2.01 0.00 0.00 34.83 34.17 2dwy s MET 547 CO 0.02 -0.57 -0.20 -1.17 -0.01 0.00 0.00 175.02 173.08 2dwy s LEU 548 N 1.41 1.97 -0.10 -0.03 2.96 -0.82 -1.15 118.68 122.91 2dwy s LEU 548 Ca -0.05 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2dwy s LEU 548 Cb -0.18 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 2dwy s LEU 548 CO -0.06 0.17 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.45 2dwy s SER 549 N 0.11 4.02 -0.06 3.68 0.15 -1.26 -1.72 113.70 118.63 2dwy s SER 549 Ca -0.08 -0.28 0.10 0.00 0.70 0.00 0.00 55.95 56.39 2dwy s SER 549 Cb -0.14 -1.33 0.23 0.00 -1.71 0.00 0.00 66.02 63.07 2dwy s SER 549 CO 0.04 0.23 1.17 0.41 1.20 0.00 0.00 173.24 176.30 2dwy n THR 550 N 3.07 1.42 -2.01 6.45 -1.04 0.06 -4.66 114.28 117.56 2dwy n THR 550 Ca -0.18 -1.43 -0.36 0.00 -2.04 0.00 0.00 64.05 60.04 2dwy n THR 550 Cb 0.53 0.21 0.03 0.00 -1.82 0.00 0.00 70.33 69.27 2dwy n THR 550 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dwy s ALA 551 N -1.73 2.56 -1.05 2.41 0.00 -1.24 -4.64 121.76 118.06 2dwy s ALA 551 Ca 0.20 1.02 0.26 0.00 0.00 0.00 0.00 51.96 53.45 2dwy s ALA 551 Cb 0.15 -3.46 1.14 0.00 0.00 0.00 0.00 23.12 20.96 2dwy s ALA 551 CO 0.06 -1.16 1.84 -0.35 0.00 0.00 0.00 175.76 176.15 2dwy n PRO 552 N -1.55 0.04 -4.34 0.00 -0.04 -1.26 -0.86 135.00 126.99 2dwy n PRO 552 Ca 0.13 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.37 2dwy n PRO 552 Cb 0.49 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 2dwy n PRO 552 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2dwy s GLN 553 N -2.95 1.77 0.51 0.54 -0.21 -1.26 -4.60 119.66 113.46 2dwy s GLN 553 Ca 0.14 -1.33 -0.23 0.00 0.02 0.00 0.00 55.36 53.96 2dwy s GLN 553 Cb 0.17 -2.03 -0.06 0.00 1.00 0.00 0.00 33.01 32.09 2dwy s GLN 553 CO 0.47 0.44 1.40 -2.14 -2.12 0.00 0.00 175.29 173.33 2dwy s PRO 554 N -2.53 3.35 -0.23 2.91 0.02 -1.26 -4.25 135.00 133.01 2dwy s PRO 554 Ca 0.21 2.33 -0.08 0.00 0.02 0.00 0.00 61.00 63.47 2dwy s PRO 554 Cb -0.09 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.97 2dwy s PRO 554 CO 0.11 -1.06 0.10 0.42 -0.33 0.00 0.00 177.00 176.25 2dwy s ILE 555 N -1.25 4.82 0.30 2.83 -1.09 0.85 -4.40 121.20 123.25 2dwy s ILE 555 Ca 0.67 -0.01 0.05 0.00 -2.23 0.00 0.00 60.65 59.14 2dwy s ILE 555 Cb -0.42 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.17 2dwy s ILE 555 CO 0.52 0.37 -0.00 -0.13 -1.23 0.00 0.00 174.94 174.46 2dwy s ARG 556 N 1.11 1.58 -1.51 2.79 0.52 -0.40 0.04 118.95 123.07 2dwy s ARG 556 Ca 0.05 -1.83 -0.07 0.00 -0.52 0.00 0.00 55.73 53.36 2dwy s ARG 556 Cb -0.14 -0.99 0.06 0.00 0.52 0.00 0.00 34.95 34.39 2dwy s ARG 556 CO 0.04 -0.07 0.57 0.09 0.02 0.00 0.00 175.30 175.95 2dwy n ASN 557 N -0.62 -1.57 -4.65 0.23 3.02 -1.14 -1.33 115.26 109.20 2dwy n ASN 557 Ca -0.04 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.09 2dwy n ASN 557 Cb 0.65 -2.99 -0.02 0.00 -0.61 0.00 0.00 39.78 36.80 2dwy n ASN 557 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dwy s ILE 558 N -3.71 3.91 -0.20 2.41 1.01 -0.02 -4.10 121.20 120.50 2dwy s ILE 558 Ca 0.29 1.09 0.01 0.00 0.00 0.00 0.00 60.65 62.04 2dwy s ILE 558 Cb -0.16 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2dwy s ILE 558 CO 0.90 -0.16 -0.16 -0.69 0.00 0.00 0.00 174.94 174.82 2dwy s VAL 559 N 4.07 1.99 -0.27 2.92 1.01 -0.36 -4.77 120.40 124.99 2dwy s VAL 559 Ca 0.65 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2dwy s VAL 559 Cb -0.26 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.30 2dwy s VAL 559 CO 0.23 0.36 0.04 0.12 0.00 0.00 0.00 175.10 175.85 2dwy s PHE 560 N 1.28 2.01 0.13 5.22 5.36 -1.26 -1.74 117.98 128.99 2dwy s PHE 560 Ca 0.01 -1.72 0.05 0.00 -0.96 0.00 0.00 56.93 54.32 2dwy s PHE 560 Cb -0.15 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 2dwy s PHE 560 CO -0.10 -0.80 0.06 -0.65 -1.46 0.00 0.00 175.22 172.26 2dwy s GLN 561 N 1.52 2.68 0.05 10.12 -0.21 -0.69 -4.95 119.66 128.18 2dwy s GLN 561 Ca 0.03 -0.88 0.04 0.00 0.02 0.00 0.00 55.36 54.57 2dwy s GLN 561 Cb -0.18 -2.56 -0.02 0.00 1.00 0.00 0.00 33.01 31.24 2dwy s GLN 561 CO -0.14 0.51 -0.11 -1.12 -2.12 0.00 0.00 175.29 172.31 2dwy s SER 562 N -2.71 1.25 0.01 5.90 0.01 -1.26 -1.04 113.70 115.86 2dwy s SER 562 Ca 0.28 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2dwy s SER 562 Cb -0.11 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 2dwy s SER 562 CO 0.21 -0.10 -0.01 0.00 0.41 0.00 0.00 173.24 173.74 2dwy s ALA 563 N -1.17 0.04 0.04 1.44 0.00 0.20 -4.98 121.76 117.34 2dwy s ALA 563 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2dwy s ALA 563 Cb -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2dwy s ALA 563 CO 0.01 -0.06 -0.04 0.14 0.00 0.00 0.00 175.76 175.82 2dwy s VAL 564 N -0.51 0.26 0.70 0.00 -7.23 -1.26 -0.07 120.40 112.30 2dwy s VAL 564 Ca -0.06 -1.28 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 2dwy s VAL 564 Cb -0.03 -0.80 -0.14 0.00 0.56 0.00 0.00 36.38 35.96 2dwy s VAL 564 CO -0.00 -0.66 -0.32 -2.65 -0.31 0.00 0.00 175.10 171.16 2dwy n PRO 565 N 1.01 0.02 0.23 4.82 -0.02 -1.26 -4.85 135.00 134.95 2dwy n PRO 565 Ca -0.20 0.01 0.07 0.00 -2.02 0.00 0.00 63.50 61.36 2dwy n PRO 565 Cb 0.57 -1.07 0.54 0.00 -0.02 0.00 0.00 33.50 33.52 2dwy n PRO 565 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2dwy h LYS 566 N -0.40 0.00 0.00 -0.52 1.79 -2.01 -2.72 116.57 112.71 2dwy h LYS 566 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2dwy h LYS 566 Cb 1.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2dwy h LYS 566 CO 0.35 0.19 0.00 1.33 -1.08 0.00 0.00 179.45 180.24 2dwy n VAL 567 N -4.11 0.12 -3.92 0.50 0.24 -1.26 -4.62 118.33 105.28 2dwy n VAL 567 Ca -0.02 0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 2dwy n VAL 567 Cb 0.26 -0.73 -0.13 0.00 -1.47 0.00 0.00 33.84 31.77 2dwy n VAL 567 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dwy s MET 568 N -2.15 0.11 0.01 7.34 0.00 -1.03 -4.60 119.30 118.99 2dwy s MET 568 Ca 0.26 -0.17 -0.22 0.00 0.00 0.00 0.00 55.69 55.56 2dwy s MET 568 Cb 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 34.83 34.90 2dwy s MET 568 CO 0.24 -0.00 0.66 0.15 0.00 0.00 0.00 175.02 176.07 2dwy s LYS 569 N -0.37 4.39 0.03 3.16 -0.14 -0.78 -4.65 119.74 121.38 2dwy s LYS 569 Ca -0.04 0.86 -0.27 0.00 -1.36 0.00 0.00 55.97 55.16 2dwy s LYS 569 Cb -0.03 -3.35 -0.17 0.00 -1.68 0.00 0.00 37.83 32.61 2dwy s LYS 569 CO -0.00 0.33 1.31 -0.39 -0.76 0.00 0.00 175.35 175.83 2dwy h VAL 570 N 4.14 0.46 -5.83 3.17 -1.51 -1.88 -2.43 116.25 112.38 2dwy h VAL 570 Ca -0.45 -0.38 -0.34 0.00 -1.23 0.00 0.00 66.70 64.31 2dwy h VAL 570 Cb 1.20 0.62 0.14 0.00 -2.13 0.00 0.00 31.29 31.12 2dwy h VAL 570 CO 0.70 0.06 -0.89 1.17 -1.23 0.00 0.00 177.57 177.38 2dwy n LYS 571 N -5.27 -2.13 -2.72 5.19 3.00 -1.25 -3.35 118.16 111.62 2dwy n LYS 571 Ca -0.11 0.68 -0.39 0.00 -0.00 0.00 0.00 58.31 58.49 2dwy n LYS 571 Cb 0.30 -5.07 -0.06 0.00 0.00 0.00 0.00 35.03 30.21 2dwy n LYS 571 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dwy s LEU 572 N -5.97 4.54 0.27 3.14 1.43 -1.26 -2.63 118.68 118.20 2dwy s LEU 572 Ca 0.42 1.95 0.10 0.00 -1.03 0.00 0.00 54.13 55.58 2dwy s LEU 572 Cb -0.10 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2dwy s LEU 572 CO 0.80 0.05 -0.07 -1.10 0.23 0.00 0.00 176.35 176.26 2dwy s GLN 573 N -1.48 2.10 0.40 1.70 -0.21 -1.13 -5.03 119.66 116.02 2dwy s GLN 573 Ca 0.44 -1.51 -0.27 0.00 0.02 0.00 0.00 55.36 54.04 2dwy s GLN 573 Cb -0.25 -2.05 -0.09 0.00 1.00 0.00 0.00 33.01 31.62 2dwy s GLN 573 CO 0.31 0.36 1.36 -2.14 -2.12 0.00 0.00 175.29 173.05 2dwy s PRO 574 N -3.58 4.01 0.61 2.91 0.02 -1.26 -4.60 135.00 133.11 2dwy s PRO 574 Ca 0.31 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.44 2dwy s PRO 574 Cb -0.06 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.60 2dwy s PRO 574 CO 0.18 -0.50 1.13 -1.25 -0.33 0.00 0.00 177.00 176.23 2dwy s PRO 575 N -2.17 3.01 0.61 5.54 0.04 -1.26 -4.77 135.00 136.00 2dwy s PRO 575 Ca 0.55 1.54 0.32 0.00 0.04 0.00 0.00 61.00 63.45 2dwy s PRO 575 Cb -0.41 -1.97 1.83 0.00 0.04 0.00 0.00 34.50 33.99 2dwy s PRO 575 CO 0.53 -1.11 2.16 0.66 0.04 0.00 0.00 177.00 179.28 2dwy h SER 576 N 0.57 0.00 -0.87 6.66 4.64 -1.36 -3.46 113.55 119.74 2dwy h SER 576 Ca -0.48 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 2dwy h SER 576 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2dwy h SER 576 CO 0.55 0.00 0.07 0.61 -0.87 0.00 0.00 176.83 177.19 2dwy n GLY 577 N -1.31 1.27 0.00 -0.77 0.00 -1.26 -4.97 105.19 98.15 2dwy n GLY 577 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2dwy n GLY 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dwy n THR 578 N -0.09 0.00 -3.83 2.61 -1.04 -1.26 -4.98 114.28 105.68 2dwy n THR 578 Ca -0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2dwy n THR 578 Cb 0.08 1.18 -0.09 0.00 -1.82 0.00 0.00 70.33 69.67 2dwy n THR 578 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2dwy s GLU 579 N 0.00 0.58 -0.05 -2.82 -1.05 -1.26 -0.85 118.70 113.25 2dwy s GLU 579 Ca 0.00 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 54.45 2dwy s GLU 579 Cb 0.00 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 33.95 2dwy s GLU 579 CO 0.00 -0.15 -0.10 -0.51 0.95 0.00 0.00 175.26 175.45 2dwy s LEU 580 N -1.51 1.61 0.81 1.83 1.43 0.11 -4.96 118.68 118.00 2dwy s LEU 580 Ca -0.13 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 2dwy s LEU 580 Cb -0.06 -0.69 0.08 0.00 0.03 0.00 0.00 46.19 45.55 2dwy s LEU 580 CO 0.01 0.02 1.09 -2.84 0.23 0.00 0.00 176.35 174.87 2dwy s PRO 581 N 0.60 1.93 0.25 1.29 0.02 -1.26 -0.10 135.00 137.73 2dwy s PRO 581 Ca -0.11 0.93 -0.31 0.00 0.02 0.00 0.00 61.00 61.52 2dwy s PRO 581 Cb -0.14 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 2dwy s PRO 581 CO 0.02 -1.80 1.67 0.00 -0.33 0.00 0.00 177.00 176.56 2dwy n ALA 582 N -3.60 2.71 -2.04 -1.55 0.00 -1.26 -4.64 120.51 110.14 2dwy n ALA 582 Ca 0.08 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 2dwy n ALA 582 Cb 0.54 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 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 0.63 3.38 -0.02 0.00 2.19 -0.04 -4.95 117.98 119.17 2dwy s PHE 583 Ca 0.70 1.37 0.01 0.00 0.33 0.00 0.00 56.93 59.34 2dwy s PHE 583 Cb -0.50 -3.48 0.01 0.00 -1.31 0.00 0.00 43.02 37.74 2dwy s PHE 583 CO 0.40 -1.38 -0.02 1.21 1.83 0.00 0.00 175.22 177.26 2dwy s ASN 584 N 0.18 0.47 0.56 6.13 2.47 -1.26 -4.69 114.94 118.80 2dwy s ASN 584 Ca 0.54 -0.06 0.25 0.00 0.42 0.00 0.00 52.86 54.01 2dwy s ASN 584 Cb -0.34 -0.15 1.54 0.00 -1.45 0.00 0.00 41.25 40.85 2dwy s ASN 584 CO 0.37 -0.02 2.12 -0.65 -3.72 0.00 0.00 177.10 175.20 2dwy h PRO 585 N 6.62 0.00 -0.47 0.43 0.11 -2.01 -2.45 132.00 134.23 2dwy h PRO 585 Ca -0.34 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 2dwy h PRO 585 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2dwy h PRO 585 CO 0.49 0.00 -0.15 0.82 -0.21 0.00 0.00 178.00 178.95 2dwy h ILE 586 N 0.00 1.27 -0.96 4.15 1.08 -2.02 -3.47 117.51 117.55 2dwy h ILE 586 Ca 0.08 -1.28 -0.53 0.00 -0.39 0.00 0.00 64.86 62.74 2dwy h ILE 586 Cb 0.39 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 2dwy h ILE 586 CO -0.00 0.44 -0.30 0.68 -0.69 0.00 0.00 178.15 178.28 2dwy s VAL 587 N -4.75 2.10 -0.04 1.67 -7.23 -0.92 -5.07 120.40 106.15 2dwy s VAL 587 Ca -0.10 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 2dwy s VAL 587 Cb 0.13 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 2dwy s VAL 587 CO 0.85 0.00 1.15 -1.00 -0.31 0.00 0.00 175.10 175.79 2dwy s HIS 588 N -2.64 3.31 0.28 2.82 3.76 -1.26 -4.78 115.29 116.77 2dwy s HIS 588 Ca 0.44 1.32 -0.30 0.00 -0.15 0.00 0.00 55.06 56.37 2dwy s HIS 588 Cb -0.03 -3.36 -0.10 0.00 1.11 0.00 0.00 32.58 30.20 2dwy s HIS 588 CO 0.26 -1.04 1.41 -1.25 -0.85 0.00 0.00 174.74 173.27 2dwy s PRO 589 N 1.94 4.27 0.46 8.40 0.04 -1.26 -4.97 135.00 143.89 2dwy s PRO 589 Ca 0.55 2.30 -0.05 0.00 0.04 0.00 0.00 61.00 63.85 2dwy s PRO 589 Cb -0.24 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2dwy s PRO 589 CO 0.23 -0.38 0.75 -1.12 0.04 0.00 0.00 177.00 176.52 2dwy s SER 590 N 0.13 6.27 -0.01 6.66 0.01 -1.26 -5.05 113.70 120.45 2dwy s SER 590 Ca 0.56 0.87 -0.01 0.00 1.31 0.00 0.00 55.95 58.68 2dwy s SER 590 Cb -0.42 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2dwy s SER 590 CO 0.47 -0.53 0.04 0.00 0.41 0.00 0.00 173.24 173.63 2dwy s ALA 591 N -2.67 -0.09 -0.12 1.44 0.00 -1.26 -4.00 121.76 115.05 2dwy s ALA 591 Ca 0.46 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 2dwy s ALA 591 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2dwy s ALA 591 CO 0.43 -0.03 0.26 0.42 0.00 0.00 0.00 175.76 176.85 2dwy s ILE 592 N -0.09 5.31 0.08 0.00 -1.09 -0.30 -4.91 121.20 120.19 2dwy s ILE 592 Ca -0.01 0.49 0.07 0.00 -2.23 0.00 0.00 60.65 58.97 2dwy s ILE 592 Cb -0.01 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 2dwy s ILE 592 CO 0.00 0.49 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.16 2dwy s THR 593 N -0.20 3.09 -0.12 2.92 2.01 -1.26 -1.04 115.64 121.04 2dwy s THR 593 Ca 0.17 -1.27 -0.08 0.00 0.31 0.00 0.00 61.69 60.81 2dwy s THR 593 Cb -0.13 -2.39 0.04 0.00 0.01 0.00 0.00 72.50 70.02 2dwy s THR 593 CO 0.05 0.19 0.29 -1.58 -0.69 0.00 0.00 174.62 172.89 2dwy s GLN 594 N -1.92 0.30 -0.18 4.92 0.74 -0.30 -0.83 119.66 122.40 2dwy s GLN 594 Ca 0.18 0.50 -0.04 0.00 0.05 0.00 0.00 55.36 56.06 2dwy s GLN 594 Cb -0.11 0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 2dwy s GLN 594 CO 0.10 -0.10 -0.04 0.08 -0.55 0.00 0.00 175.29 174.78 2dwy s VAL 595 N 0.70 3.70 -0.08 1.34 1.01 -1.26 -0.21 120.40 125.59 2dwy s VAL 595 Ca -0.04 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2dwy s VAL 595 Cb -0.06 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2dwy s VAL 595 CO -0.04 0.46 -0.13 -0.76 0.00 0.00 0.00 175.10 174.63 2dwy s LEU 596 N 0.77 2.77 -0.34 3.92 1.43 -0.06 -2.82 118.68 124.35 2dwy s LEU 596 Ca -0.01 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2dwy s LEU 596 Cb -0.15 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.55 2dwy s LEU 596 CO 0.02 0.29 0.09 -0.76 0.23 0.00 0.00 176.35 176.22 2dwy s LEU 597 N -0.40 4.35 -0.55 1.79 1.43 -1.08 -0.94 118.68 123.29 2dwy s LEU 597 Ca 0.05 -1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 51.64 2dwy s LEU 597 Cb -0.12 -1.82 0.10 0.00 0.03 0.00 0.00 46.19 44.38 2dwy s LEU 597 CO 0.02 -0.35 0.60 -0.22 0.23 0.00 0.00 176.35 176.64 2dwy s LEU 598 N 1.32 5.55 -0.51 1.79 2.96 0.39 -3.87 118.68 126.31 2dwy s LEU 598 Ca -0.01 -1.42 -0.21 0.00 -0.22 0.00 0.00 54.13 52.26 2dwy s LEU 598 Cb -0.20 -2.29 0.05 0.00 0.50 0.00 0.00 46.19 44.24 2dwy s LEU 598 CO 0.01 -0.96 0.74 0.00 -1.32 0.00 0.00 176.35 174.82 2dwy s ALA 599 N 2.29 3.30 -0.49 5.97 0.00 -0.91 -1.59 121.76 130.32 2dwy s ALA 599 Ca 0.09 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 50.64 2dwy s ALA 599 Cb -0.25 -3.48 0.24 0.00 0.00 0.00 0.00 23.12 19.63 2dwy s ALA 599 CO 0.06 -2.11 0.58 -1.71 0.00 0.00 0.00 175.76 172.58 2dwy n ASN 600 N 6.65 1.41 0.19 0.00 4.05 -1.00 -1.86 115.26 124.69 2dwy n ASN 600 Ca -0.03 -2.93 0.04 0.00 0.45 0.00 0.00 54.58 52.11 2dwy n ASN 600 Cb 0.46 -0.65 0.36 0.00 1.23 0.00 0.00 39.78 41.18 2dwy n ASN 600 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2dwy h PRO 601 N 4.27 0.00 0.00 1.20 0.13 -1.83 -2.33 132.00 133.43 2dwy h PRO 601 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2dwy h PRO 601 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2dwy h PRO 601 CO 0.59 0.39 0.00 1.04 -0.23 0.00 0.00 178.00 179.79 2dwy n GLN 602 N -3.77 0.12 -3.68 0.86 1.13 -1.26 -4.92 117.38 105.85 2dwy n GLN 602 Ca -0.01 0.21 -0.25 0.00 -1.94 0.00 0.00 57.00 55.01 2dwy n GLN 602 Cb 0.47 -1.67 0.06 0.00 0.11 0.00 0.00 30.24 29.21 2dwy n GLN 602 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dwy n LYS 603 N -1.89 -7.10 -2.21 -1.09 5.02 -0.88 -5.00 118.16 105.02 2dwy n LYS 603 Ca 0.05 0.76 -0.26 0.00 -2.02 0.00 0.00 58.31 56.84 2dwy n LYS 603 Cb 0.31 -5.75 0.06 0.00 -0.02 0.00 0.00 35.03 29.63 2dwy n LYS 603 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dwy s GLU 604 N -6.31 2.31 0.20 1.97 2.02 -1.26 -4.88 118.70 112.75 2dwy s GLU 604 Ca 0.54 -0.19 -0.31 0.00 0.02 0.00 0.00 54.97 55.02 2dwy s GLU 604 Cb -0.25 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 31.70 2dwy s GLU 604 CO 0.76 -1.17 1.58 0.15 0.02 0.00 0.00 175.26 176.60 2dwy s LYS 605 N -5.22 4.20 -0.21 1.61 3.01 -1.26 -4.91 119.74 116.96 2dwy s LYS 605 Ca 0.59 2.42 -0.19 0.00 -1.01 0.00 0.00 55.97 57.78 2dwy s LYS 605 Cb -0.11 -3.12 -0.03 0.00 -1.01 0.00 0.00 37.83 33.57 2dwy s LYS 605 CO 0.45 -0.61 0.57 0.08 0.51 0.00 0.00 175.35 176.36 2dwy s VAL 606 N 0.83 5.06 -0.11 3.17 1.01 -1.26 -5.03 120.40 124.07 2dwy s VAL 606 Ca 0.68 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.74 2dwy s VAL 606 Cb -0.45 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2dwy s VAL 606 CO 0.35 0.13 -0.15 -0.60 0.00 0.00 0.00 175.10 174.83 2dwy s ARG 607 N 1.85 2.25 -0.14 2.72 3.52 -1.26 -4.62 118.95 123.27 2dwy s ARG 607 Ca 0.26 -0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 2dwy s ARG 607 Cb -0.16 -1.91 -0.02 0.00 -1.56 0.00 0.00 34.95 31.30 2dwy s ARG 607 CO 0.10 -0.07 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.28 2dwy s LEU 608 N 1.00 3.08 -0.22 -0.88 0.20 -0.27 -4.26 118.68 117.33 2dwy s LEU 608 Ca -0.06 -0.18 -0.13 0.00 0.69 0.00 0.00 54.13 54.45 2dwy s LEU 608 Cb -0.15 -1.72 -0.05 0.00 -0.43 0.00 0.00 46.19 43.84 2dwy s LEU 608 CO -0.02 0.18 0.25 -0.60 -0.29 0.00 0.00 176.35 175.88 2dwy s ARG 609 N 0.27 4.12 0.24 1.98 6.06 0.90 -0.97 118.95 131.55 2dwy s ARG 609 Ca -0.05 -0.08 0.12 0.00 -2.50 0.00 0.00 55.73 53.21 2dwy s ARG 609 Cb -0.14 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.29 2dwy s ARG 609 CO 0.04 0.04 -0.20 1.52 -2.50 0.00 0.00 175.30 174.19 2dwy s TYR 610 N 1.11 2.32 -0.08 5.12 1.13 -0.58 -0.62 117.35 125.74 2dwy s TYR 610 Ca 0.12 -0.33 0.02 0.00 -1.41 0.00 0.00 57.07 55.46 2dwy s TYR 610 Cb -0.14 -1.06 0.02 0.00 -1.10 0.00 0.00 41.96 39.67 2dwy s TYR 610 CO 0.05 0.63 -0.12 0.21 -2.51 0.00 0.00 175.55 173.81 2dwy s LYS 611 N -3.18 1.80 -0.10 -3.49 2.20 -0.21 -2.36 119.74 114.38 2dwy s LYS 611 Ca 0.26 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2dwy s LYS 611 Cb -0.06 -1.56 0.01 0.00 -1.51 0.00 0.00 37.83 34.71 2dwy s LYS 611 CO 0.13 -0.05 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.70 2dwy s LEU 612 N 0.93 1.98 -0.01 5.43 0.20 0.68 -1.70 118.68 126.19 2dwy s LEU 612 Ca -0.09 -0.51 -0.01 0.00 0.69 0.00 0.00 54.13 54.21 2dwy s LEU 612 Cb -0.15 -1.29 0.00 0.00 -0.43 0.00 0.00 46.19 44.32 2dwy s LEU 612 CO 0.00 0.11 0.02 -0.89 -0.29 0.00 0.00 176.35 175.30 2dwy s THR 613 N 0.57 -0.01 0.08 3.68 2.01 -0.71 -0.26 115.64 121.01 2dwy s THR 613 Ca -0.14 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.61 2dwy s THR 613 Cb -0.17 -0.05 0.08 0.00 0.01 0.00 0.00 72.50 72.38 2dwy s THR 613 CO 0.04 0.01 0.93 0.72 -0.69 0.00 0.00 174.62 175.64 2dwy s PHE 614 N 0.11 -0.23 -0.07 4.92 -0.71 -0.53 -1.22 117.98 120.26 2dwy s PHE 614 Ca -0.01 0.01 0.05 0.00 -1.04 0.00 0.00 56.93 55.94 2dwy s PHE 614 Cb -0.01 0.59 -0.01 0.00 -1.21 0.00 0.00 43.02 42.38 2dwy s PHE 614 CO -0.00 -0.68 -0.24 0.99 -1.34 0.00 0.00 175.22 173.95 2dwy s THR 615 N -3.19 1.98 -0.20 -4.49 2.01 -0.44 0.64 115.64 111.95 2dwy s THR 615 Ca 0.09 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 2dwy s THR 615 Cb -0.01 -1.69 0.06 0.00 0.01 0.00 0.00 72.50 70.87 2dwy s THR 615 CO -0.03 0.55 0.49 -0.32 -0.69 0.00 0.00 174.62 174.62 2dwy s MET 616 N 0.01 0.50 7.10 4.92 0.00 -0.52 -1.27 119.30 130.03 2dwy s MET 616 Ca -0.08 0.86 0.00 0.00 0.00 0.00 0.00 55.69 56.47 2dwy s MET 616 Cb -0.15 0.08 0.00 0.00 0.00 0.00 0.00 34.83 34.76 2dwy s MET 616 CO 0.05 -0.14 0.00 0.41 0.00 0.00 0.00 175.02 175.34 2dwy n GLY 617 N 3.94 3.21 1.82 2.11 0.00 -1.26 -2.49 105.19 112.51 2dwy n GLY 617 Ca -0.20 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.60 2dwy n GLY 617 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dwy n ASP 618 N 3.57 5.07 -4.15 1.61 3.85 -1.26 -4.95 116.55 120.29 2dwy n ASP 618 Ca 0.00 -2.94 -0.16 0.00 -0.71 0.00 0.00 54.79 50.98 2dwy n ASP 618 Cb 0.00 -0.69 -0.11 0.00 -1.35 0.00 0.00 41.12 38.96 2dwy n ASP 618 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2dwy s GLN 619 N -2.66 0.77 -0.16 0.11 -0.21 -1.04 -5.14 119.66 111.33 2dwy s GLN 619 Ca 0.50 -0.99 -0.05 0.00 0.02 0.00 0.00 55.36 54.84 2dwy s GLN 619 Cb 0.39 -0.60 -0.03 0.00 1.00 0.00 0.00 33.01 33.77 2dwy s GLN 619 CO 0.14 0.12 -0.01 0.99 -2.12 0.00 0.00 175.29 174.40 2dwy s THR 620 N -1.75 4.14 -0.16 -0.19 2.01 -1.26 -1.44 115.64 116.98 2dwy s THR 620 Ca -0.01 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 2dwy s THR 620 Cb -0.07 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 2dwy s THR 620 CO 0.01 0.49 0.04 -0.31 -0.69 0.00 0.00 174.62 174.16 2dwy s TYR 621 N 0.29 3.22 -0.03 4.92 2.02 0.21 -4.97 117.35 123.01 2dwy s TYR 621 Ca -0.02 0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 2dwy s TYR 621 Cb -0.14 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 2dwy s TYR 621 CO 0.02 0.20 -0.09 -0.80 -1.57 0.00 0.00 175.55 173.32 2dwy s ASN 622 N 0.10 1.22 0.09 2.29 -0.87 -1.26 -1.45 114.94 115.06 2dwy s ASN 622 Ca 0.04 -0.19 -0.19 0.00 -1.57 0.00 0.00 52.86 50.95 2dwy s ASN 622 Cb -0.12 -0.33 0.05 0.00 -0.02 0.00 0.00 41.25 40.82 2dwy s ASN 622 CO 0.01 0.06 0.47 -1.83 -2.57 0.00 0.00 177.10 173.24 2dwy s GLU 623 N 0.20 1.07 -0.00 -0.60 -1.05 0.64 -5.00 118.70 113.96 2dwy s GLU 623 Ca -0.03 -0.48 -0.01 0.00 -0.15 0.00 0.00 54.97 54.29 2dwy s GLU 623 Cb -0.09 0.48 -0.00 0.00 -0.44 0.00 0.00 34.13 34.08 2dwy s GLU 623 CO 0.01 -0.41 0.03 -1.64 0.95 0.00 0.00 175.26 174.19 2dwy s MET 624 N -3.18 0.18 0.00 -4.83 -1.94 -1.26 -0.23 119.30 108.03 2dwy s MET 624 Ca -0.01 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.76 2dwy s MET 624 Cb 0.00 0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.91 2dwy s MET 624 CO -0.08 -0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.31 2dwy n GLY 625 N 2.41 1.71 3.28 -0.03 0.00 -1.00 -5.01 105.19 106.55 2dwy n GLY 625 Ca -0.17 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 2dwy n GLY 625 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dwy s ASP 626 N -0.73 3.56 -0.23 1.61 -0.00 -1.26 -1.52 116.67 118.10 2dwy s ASP 626 Ca 0.00 -0.46 -0.10 0.00 -0.00 0.00 0.00 52.55 51.99 2dwy s ASP 626 Cb 0.00 -1.52 -0.05 0.00 -0.00 0.00 0.00 42.92 41.35 2dwy s ASP 626 CO 0.00 0.14 0.15 -0.69 -0.00 0.00 0.00 175.17 174.77 2dwy s VAL 627 N 0.50 5.38 -0.01 -1.27 1.01 -0.14 -4.97 120.40 120.90 2dwy s VAL 627 Ca -0.12 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2dwy s VAL 627 Cb -0.16 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2dwy s VAL 627 CO 0.05 0.37 0.89 -0.90 0.00 0.00 0.00 175.10 175.52 2dwy n ASP 628 N 4.06 1.53 -3.27 3.32 5.68 -1.26 -1.11 116.55 125.49 2dwy n ASP 628 Ca -0.15 -1.83 -0.40 0.00 -0.50 0.00 0.00 54.79 51.90 2dwy n ASP 628 Cb 0.52 -0.03 0.03 0.00 -1.14 0.00 0.00 41.12 40.50 2dwy n ASP 628 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dwy n GLN 629 N -0.43 4.08 -3.32 0.11 6.02 -1.26 -4.94 117.38 117.64 2dwy n GLN 629 Ca 0.01 -4.09 -0.33 0.00 -0.01 0.00 0.00 57.00 52.57 2dwy n GLN 629 Cb 0.34 -2.37 -0.06 0.00 1.02 0.00 0.00 30.24 29.17 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 -4.20 3.48 0.76 1.08 0.08 -1.26 -4.94 117.98 112.97 2dwy s PHE 630 Ca 0.46 1.04 -0.15 0.00 0.12 0.00 0.00 56.93 58.40 2dwy s PHE 630 Cb 0.32 -2.37 0.05 0.00 -0.57 0.00 0.00 43.02 40.45 2dwy s PHE 630 CO -0.28 0.28 1.22 -2.14 -0.10 0.00 0.00 175.22 174.21 2dwy s PRO 631 N -2.54 1.93 0.30 0.24 0.02 -1.26 -4.90 135.00 128.78 2dwy s PRO 631 Ca 0.46 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 2dwy s PRO 631 Cb -0.12 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 2dwy s PRO 631 CO 0.20 -2.01 1.60 -2.14 -0.33 0.00 0.00 177.00 174.32 2dwy s PRO 632 N -3.94 4.11 0.58 5.54 0.02 -1.26 -4.84 135.00 135.21 2dwy s PRO 632 Ca 0.75 2.59 0.34 0.00 0.02 0.00 0.00 61.00 64.71 2dwy s PRO 632 Cb -0.31 -3.02 1.38 0.00 0.02 0.00 0.00 34.50 32.57 2dwy s PRO 632 CO 0.47 -0.64 1.63 -1.35 -0.33 0.00 0.00 177.00 176.78 2dwy h PRO 633 N 4.82 0.00 -0.34 5.54 0.11 -1.90 0.14 132.00 140.36 2dwy h PRO 633 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2dwy h PRO 633 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2dwy h PRO 633 CO 0.79 0.00 0.09 1.49 -0.21 0.00 0.00 178.00 180.16 2dwy h GLU 634 N 0.00 0.49 -0.00 1.05 4.81 -1.90 -2.96 114.58 116.06 2dwy h GLU 634 Ca 0.52 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 2dwy h GLU 634 Cb 2.48 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.77 2dwy h GLU 634 CO -0.01 0.45 -0.08 2.41 -0.73 0.00 0.00 179.01 181.05 2dwy n THR 635 N -4.36 0.00 -0.37 0.32 -1.04 0.48 -4.17 114.28 105.14 2dwy n THR 635 Ca 0.02 -0.01 0.29 0.00 -2.04 0.00 0.00 64.05 62.31 2dwy n THR 635 Cb 0.17 -0.34 0.58 0.00 -1.82 0.00 0.00 70.33 68.92 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 0.10 0.56 0.00 -1.42 -0.00 -1.59 -1.81 115.95 111.78 2dwy h TRP 636 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.82 2dwy h TRP 636 Cb 0.42 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.41 2dwy h TRP 636 CO 0.00 -0.04 -1.15 0.78 -0.00 0.00 0.00 178.44 178.03 2dwy h GLY 637 N 0.25 0.00 -1.85 1.49 0.00 -1.78 -3.36 103.07 97.82 2dwy h GLY 637 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 2dwy h GLY 637 CO -0.32 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.08 2dwy n SER 638 N -2.82 2.98 0.00 0.19 3.41 -0.72 -4.96 113.62 111.70 2dwy n SER 638 Ca -0.05 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 2dwy n SER 638 Cb 0.70 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2dwy n SER 638 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06