#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwx s ILE 512 N 0.00 3.65 0.39 1.53 1.09 -1.26 -4.99 121.20 121.61 2dwx s ILE 512 Ca 0.00 0.74 -0.05 0.00 -1.10 0.00 0.00 60.65 60.24 2dwx s ILE 512 Cb 0.00 -3.64 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 2dwx s ILE 512 CO 0.00 -0.25 0.67 -0.76 -0.10 0.00 0.00 174.94 174.51 2dwx s LEU 513 N 5.14 3.86 0.48 2.97 1.43 -1.26 -4.97 118.68 126.33 2dwx s LEU 513 Ca 0.73 0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 54.40 2dwx s LEU 513 Cb -0.27 -3.69 -0.07 0.00 0.03 0.00 0.00 46.19 42.20 2dwx s LEU 513 CO 0.29 -0.39 1.26 -2.84 0.23 0.00 0.00 176.35 174.90 2dwx s PRO 514 N -4.20 3.57 -0.13 1.29 0.02 -1.26 -4.86 135.00 129.43 2dwx s PRO 514 Ca 0.45 2.00 -0.04 0.00 0.02 0.00 0.00 61.00 63.44 2dwx s PRO 514 Cb -0.10 -2.41 -0.03 0.00 0.02 0.00 0.00 34.50 31.97 2dwx s PRO 514 CO 0.37 -0.77 0.00 0.08 -0.33 0.00 0.00 177.00 176.35 2dwx s VAL 515 N -1.41 4.27 -0.66 3.83 1.01 -0.75 -4.92 120.40 121.77 2dwx s VAL 515 Ca 0.65 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 2dwx s VAL 515 Cb -0.34 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.26 2dwx s VAL 515 CO 0.42 0.54 0.97 -0.89 0.00 0.00 0.00 175.10 176.14 2dwx s THR 516 N -0.24 4.32 0.01 3.92 2.01 -1.26 -0.16 115.64 124.23 2dwx s THR 516 Ca 0.06 -0.33 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 2dwx s THR 516 Cb -0.12 -4.68 -0.22 0.00 0.01 0.00 0.00 72.50 67.48 2dwx s THR 516 CO 0.02 -1.45 1.13 0.58 -0.69 0.00 0.00 174.62 174.21 2dwx h VAL 517 N 5.98 1.42 -3.52 3.82 2.07 -1.57 -3.46 116.25 120.98 2dwx h VAL 517 Ca -0.29 -1.98 -0.22 0.00 0.82 0.00 0.00 66.70 65.03 2dwx h VAL 517 Cb 1.07 2.50 -0.28 0.00 -1.52 0.00 0.00 31.29 33.05 2dwx h VAL 517 CO 1.18 0.58 -0.64 -0.47 0.02 0.00 0.00 177.57 178.24 2dwx s TYR 518 N -3.35 -0.08 -0.50 1.57 5.04 -1.00 -4.99 117.35 114.05 2dwx s TYR 518 Ca -0.13 0.22 0.06 0.00 -2.44 0.00 0.00 57.07 54.79 2dwx s TYR 518 Cb 0.04 -0.01 0.22 0.00 0.35 0.00 0.00 41.96 42.56 2dwx s TYR 518 CO 0.81 -0.06 0.79 -3.47 -1.34 0.00 0.00 175.55 172.29 2dwx n ASP 519 N 3.26 -2.94 -3.92 4.32 4.64 -1.24 -1.15 116.55 119.52 2dwx n ASP 519 Ca -0.15 -3.10 -0.12 0.00 -1.38 0.00 0.00 54.79 50.04 2dwx n ASP 519 Cb 0.58 1.64 -0.13 0.00 -1.04 0.00 0.00 41.12 42.17 2dwx n ASP 519 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 2dwx s GLN 520 N 0.68 0.16 -1.38 -0.67 -0.21 -0.78 -4.89 119.66 112.56 2dwx s GLN 520 Ca 0.31 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.51 2dwx s GLN 520 Cb 0.13 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.07 2dwx s GLN 520 CO -0.16 0.01 0.00 0.72 -2.12 0.00 0.00 175.29 173.74 2dwx n HIS 521 N 2.70 -0.57 0.00 0.91 8.25 -1.26 -1.41 115.22 123.84 2dwx n HIS 521 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2dwx n HIS 521 Cb 0.58 -3.07 0.00 0.00 1.12 0.00 0.00 29.99 28.62 2dwx n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dwx n GLY 522 N -1.03 2.81 3.68 -1.41 0.00 -1.26 -4.27 105.19 103.71 2dwx n GLY 522 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2dwx n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dwx s PHE 523 N -0.76 2.66 -0.12 1.61 5.99 -0.50 -3.19 117.98 123.67 2dwx s PHE 523 Ca 0.00 0.67 0.02 0.00 0.00 0.00 0.00 56.93 57.62 2dwx s PHE 523 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 43.02 39.30 2dwx s PHE 523 CO 0.00 -2.80 -0.19 1.03 -0.00 0.00 0.00 175.22 173.27 2dwx s ARG 524 N 2.77 2.60 -0.19 10.12 0.52 -0.97 -1.87 118.95 131.93 2dwx s ARG 524 Ca 0.66 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2dwx s ARG 524 Cb -0.32 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.04 2dwx s ARG 524 CO 0.27 -0.03 -0.18 0.42 0.02 0.00 0.00 175.30 175.81 2dwx s ILE 525 N 0.87 2.01 0.20 1.52 1.01 -0.30 -1.95 121.20 124.56 2dwx s ILE 525 Ca -0.08 -1.02 0.09 0.00 0.00 0.00 0.00 60.65 59.64 2dwx s ILE 525 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2dwx s ILE 525 CO -0.01 0.43 -0.05 -0.76 0.00 0.00 0.00 174.94 174.55 2dwx s LEU 526 N 1.28 3.12 -0.18 2.97 1.43 -0.61 -1.37 118.68 125.32 2dwx s LEU 526 Ca 0.03 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 2dwx s LEU 526 Cb -0.14 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2dwx s LEU 526 CO -0.11 0.07 -0.00 -0.36 0.23 0.00 0.00 176.35 176.18 2dwx s PHE 527 N -1.86 3.06 -0.22 0.29 0.40 0.77 -2.04 117.98 118.38 2dwx s PHE 527 Ca 0.27 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.27 2dwx s PHE 527 Cb -0.08 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.43 2dwx s PHE 527 CO 0.17 -0.11 -0.09 -1.01 0.70 0.00 0.00 175.22 174.88 2dwx s HIS 528 N 0.68 2.97 -0.11 0.36 3.76 0.10 -1.81 115.29 121.25 2dwx s HIS 528 Ca -0.00 -1.46 -0.22 0.00 -0.15 0.00 0.00 55.06 53.23 2dwx s HIS 528 Cb -0.14 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2dwx s HIS 528 CO 0.02 -0.71 0.64 -0.06 -0.85 0.00 0.00 174.74 173.78 2dwx s PHE 529 N 1.34 3.52 0.24 1.40 0.40 -1.26 -0.59 117.98 123.03 2dwx s PHE 529 Ca 0.02 1.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.47 2dwx s PHE 529 Cb -0.15 -2.75 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 2dwx s PHE 529 CO -0.06 0.05 0.13 0.00 0.70 0.00 0.00 175.22 176.04 2dwx s ALA 530 N 1.01 1.46 0.10 5.36 0.00 0.13 -5.00 121.76 124.82 2dwx s ALA 530 Ca 0.33 -1.78 0.09 0.00 0.00 0.00 0.00 51.96 50.61 2dwx s ALA 530 Cb -0.17 1.27 -0.03 0.00 0.00 0.00 0.00 23.12 24.19 2dwx s ALA 530 CO 0.15 -0.55 -0.23 0.50 0.00 0.00 0.00 175.76 175.63 2dwx s ARG 531 N -4.04 1.28 -0.05 0.00 3.52 -1.26 -2.40 118.95 116.00 2dwx s ARG 531 Ca 0.38 -1.19 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 2dwx s ARG 531 Cb 0.07 -1.59 -0.06 0.00 -1.56 0.00 0.00 34.95 31.80 2dwx s ARG 531 CO 0.14 0.38 1.76 0.34 -0.81 0.00 0.00 175.30 177.11 2dwx s ASP 532 N -1.82 6.53 0.00 -2.12 3.68 -1.26 -4.86 116.67 116.82 2dwx s ASP 532 Ca 0.09 2.28 0.12 0.00 2.13 0.00 0.00 52.55 57.17 2dwx s ASP 532 Cb -0.10 -2.53 0.62 0.00 -1.45 0.00 0.00 42.92 39.46 2dwx s ASP 532 CO 0.04 -1.04 1.29 -0.81 0.13 0.00 0.00 175.17 174.79 2dwx n PRO 533 N 7.36 0.19 -4.27 4.34 -0.04 -1.26 -4.63 135.00 136.68 2dwx n PRO 533 Ca 0.19 0.16 -0.25 0.00 -0.04 0.00 0.00 63.50 63.55 2dwx n PRO 533 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 2dwx n PRO 533 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dwx s LEU 534 N -2.54 3.14 0.07 1.53 1.43 -1.26 -5.06 118.68 116.00 2dwx s LEU 534 Ca 0.12 -0.56 -0.37 0.00 -1.03 0.00 0.00 54.13 52.30 2dwx s LEU 534 Cb 0.08 -1.75 -0.18 0.00 0.03 0.00 0.00 46.19 44.37 2dwx s LEU 534 CO 0.18 0.06 1.12 -2.65 0.23 0.00 0.00 176.35 175.30 2dwx n PRO 535 N -0.33 0.55 -3.86 1.29 -0.02 -1.26 -4.92 135.00 126.45 2dwx n PRO 535 Ca -0.09 0.20 0.01 0.00 -2.02 0.00 0.00 63.50 61.60 2dwx n PRO 535 Cb 0.57 -1.70 0.01 0.00 -0.02 0.00 0.00 33.50 32.36 2dwx n PRO 535 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dwx n GLY 536 N 1.94 0.35 3.74 -1.23 0.00 -1.26 -5.11 105.19 103.63 2dwx n GLY 536 Ca 0.18 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 2dwx n GLY 536 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dwx s ARG 537 N -2.02 4.34 0.00 1.61 0.52 -1.26 -4.91 118.95 117.23 2dwx s ARG 537 Ca 0.27 2.16 0.25 0.00 -0.52 0.00 0.00 55.73 57.89 2dwx s ARG 537 Cb -0.01 -3.15 1.39 0.00 0.52 0.00 0.00 34.95 33.70 2dwx s ARG 537 CO 0.01 -0.30 1.87 0.43 0.02 0.00 0.00 175.30 177.33 2dwx n SER 538 N 2.32 0.00 -1.00 0.23 7.64 -1.26 -3.21 113.62 118.33 2dwx n SER 538 Ca 0.06 -0.40 0.08 0.00 1.01 0.00 0.00 58.87 59.62 2dwx n SER 538 Cb 0.42 -0.16 0.24 0.00 -1.01 0.00 0.00 64.21 63.70 2dwx n SER 538 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2dwx n ASP 539 N -1.16 3.53 -4.23 6.43 3.85 -1.26 -3.93 116.55 119.78 2dwx n ASP 539 Ca 0.15 -2.09 -0.33 0.00 -0.71 0.00 0.00 54.79 51.81 2dwx n ASP 539 Cb 0.15 -0.38 -0.15 0.00 -1.35 0.00 0.00 41.12 39.39 2dwx n ASP 539 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2dwx s VAL 540 N -1.17 2.63 -0.15 2.12 1.01 -1.20 -2.19 120.40 121.45 2dwx s VAL 540 Ca 0.36 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2dwx s VAL 540 Cb 0.20 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2dwx s VAL 540 CO 0.23 0.50 -0.04 -0.22 0.00 0.00 0.00 175.10 175.57 2dwx s LEU 541 N 1.08 3.25 -0.27 3.92 2.96 -0.05 -4.81 118.68 124.76 2dwx s LEU 541 Ca -0.00 -0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 2dwx s LEU 541 Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2dwx s LEU 541 CO -0.04 0.19 0.32 -0.69 -1.32 0.00 0.00 176.35 174.80 2dwx s VAL 542 N 0.26 5.22 -0.30 1.68 1.01 -1.01 -1.72 120.40 125.53 2dwx s VAL 542 Ca -0.03 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 2dwx s VAL 542 Cb -0.14 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2dwx s VAL 542 CO 0.03 0.19 0.04 -0.69 0.00 0.00 0.00 175.10 174.67 2dwx s VAL 543 N 1.95 3.42 -0.36 2.92 1.01 -0.62 -0.69 120.40 128.02 2dwx s VAL 543 Ca 0.13 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 2dwx s VAL 543 Cb -0.16 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 2dwx s VAL 543 CO 0.10 -0.04 0.43 -0.69 0.00 0.00 0.00 175.10 174.89 2dwx s VAL 544 N 1.36 5.10 -0.35 2.92 1.01 0.24 -0.99 120.40 129.70 2dwx s VAL 544 Ca -0.02 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 2dwx s VAL 544 Cb -0.19 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 2dwx s VAL 544 CO 0.00 -0.20 0.22 0.54 0.00 0.00 0.00 175.10 175.67 2dwx s VAL 545 N 2.16 5.01 0.02 2.92 0.11 -0.26 0.01 120.40 130.37 2dwx s VAL 545 Ca 0.14 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2dwx s VAL 545 Cb -0.16 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.02 2dwx s VAL 545 CO 0.13 -0.07 -0.03 -0.94 -3.33 0.00 0.00 175.10 170.85 2dwx s SER 546 N 1.66 4.86 -0.06 3.54 1.04 -0.86 -1.01 113.70 122.88 2dwx s SER 546 Ca 0.05 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.37 2dwx s SER 546 Cb -0.18 -1.18 0.02 0.00 0.10 0.00 0.00 66.02 64.78 2dwx s SER 546 CO 0.09 0.26 -0.04 -0.04 0.98 0.00 0.00 173.24 174.48 2dwx s MET 547 N -1.66 0.91 -0.05 4.02 1.00 0.87 -1.58 119.30 122.82 2dwx s MET 547 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 55.69 55.77 2dwx s MET 547 Cb -0.11 -0.97 0.03 0.00 0.00 0.00 0.00 34.83 33.78 2dwx s MET 547 CO 0.11 -0.13 0.02 -0.51 0.00 0.00 0.00 175.02 174.51 2dwx s LEU 548 N 1.15 0.63 0.25 -0.03 1.02 -0.82 -0.75 118.68 120.12 2dwx s LEU 548 Ca -0.07 -0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.10 2dwx s LEU 548 Cb -0.14 -0.30 -0.03 0.00 0.02 0.00 0.00 46.19 45.74 2dwx s LEU 548 CO -0.01 -0.18 0.38 -0.55 0.02 0.00 0.00 176.35 176.00 2dwx s SER 549 N 1.76 6.31 0.00 2.29 0.15 -1.26 -2.28 113.70 120.66 2dwx s SER 549 Ca 0.01 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2dwx s SER 549 Cb -0.13 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 2dwx s SER 549 CO -0.04 -0.10 0.38 0.41 1.20 0.00 0.00 173.24 175.10 2dwx n THR 550 N -1.45 0.14 -2.22 6.45 -1.04 -1.19 -4.79 114.28 110.18 2dwx n THR 550 Ca -0.08 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 2dwx n THR 550 Cb 0.57 1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 70.35 2dwx n THR 550 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dwx s ALA 551 N -0.14 3.55 -1.52 2.41 0.00 -1.26 -4.61 121.76 120.18 2dwx s ALA 551 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2dwx s ALA 551 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2dwx s ALA 551 CO 0.00 -0.61 0.74 -2.30 0.00 0.00 0.00 175.76 173.58 2dwx n PRO 552 N 4.10 0.00 -4.43 0.00 -0.02 -1.26 -2.38 135.00 131.00 2dwx n PRO 552 Ca 0.11 0.24 -0.26 0.00 -2.02 0.00 0.00 63.50 61.56 2dwx n PRO 552 Cb 0.43 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.30 2dwx n PRO 552 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2dwx s GLN 553 N -2.47 1.55 0.98 -0.52 -2.07 -1.26 -4.70 119.66 111.17 2dwx s GLN 553 Ca 0.00 -1.56 -0.11 0.00 -1.82 0.00 0.00 55.36 51.87 2dwx s GLN 553 Cb 0.00 -1.84 0.18 0.00 -1.09 0.00 0.00 33.01 30.26 2dwx s GLN 553 CO 0.00 0.39 1.09 -1.25 -1.32 0.00 0.00 175.29 174.20 2dwx s PRO 554 N -2.79 0.53 -0.05 9.60 0.04 -1.26 -4.54 135.00 136.52 2dwx s PRO 554 Ca 0.22 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.46 2dwx s PRO 554 Cb -0.08 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2dwx s PRO 554 CO 0.11 -2.84 -0.16 0.42 0.04 0.00 0.00 177.00 174.57 2dwx s ILE 555 N -2.66 1.34 0.26 0.56 1.01 -1.12 -4.23 121.20 116.35 2dwx s ILE 555 Ca 0.66 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2dwx s ILE 555 Cb -0.22 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2dwx s ILE 555 CO 0.60 0.39 0.34 0.00 0.00 0.00 0.00 174.94 176.27 2dwx s ARG 556 N 0.18 1.54 -1.51 2.79 3.03 -0.39 -1.82 118.95 122.77 2dwx s ARG 556 Ca -0.06 -1.56 -0.06 0.00 2.03 0.00 0.00 55.73 56.07 2dwx s ARG 556 Cb -0.12 0.38 0.01 0.00 -1.03 0.00 0.00 34.95 34.19 2dwx s ARG 556 CO 0.03 -0.59 0.75 0.09 -1.13 0.00 0.00 175.30 174.44 2dwx n ASN 557 N -0.69 -6.10 -4.73 -2.89 3.02 -1.12 -1.32 115.26 101.44 2dwx n ASN 557 Ca 0.01 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 2dwx n ASN 557 Cb 0.63 -4.90 -0.03 0.00 -0.61 0.00 0.00 39.78 34.88 2dwx n ASN 557 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dwx s ILE 558 N -3.21 3.42 -0.08 2.41 1.01 0.12 -4.46 121.20 120.41 2dwx s ILE 558 Ca 0.38 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 62.11 2dwx s ILE 558 Cb -0.17 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.63 2dwx s ILE 558 CO 0.47 0.13 0.04 -0.69 0.00 0.00 0.00 174.94 174.90 2dwx s VAL 559 N 0.55 0.09 -0.32 2.92 1.01 -0.10 -4.85 120.40 119.69 2dwx s VAL 559 Ca 0.59 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.64 2dwx s VAL 559 Cb -0.35 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2dwx s VAL 559 CO 0.34 0.12 0.24 0.12 0.00 0.00 0.00 175.10 175.92 2dwx s PHE 560 N 2.08 3.23 0.10 5.22 5.36 -1.26 -1.88 117.98 130.83 2dwx s PHE 560 Ca 0.04 -0.10 0.07 0.00 -0.96 0.00 0.00 56.93 55.98 2dwx s PHE 560 Cb -0.13 -2.46 -0.04 0.00 -0.34 0.00 0.00 43.02 40.05 2dwx s PHE 560 CO -0.05 -0.31 -0.13 -0.65 -1.46 0.00 0.00 175.22 172.63 2dwx s GLN 561 N 1.75 2.04 -0.03 10.12 -0.21 0.01 -4.98 119.66 128.37 2dwx s GLN 561 Ca 0.07 -1.05 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 2dwx s GLN 561 Cb -0.17 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.62 2dwx s GLN 561 CO 0.11 0.51 0.05 -1.12 -2.12 0.00 0.00 175.29 172.71 2dwx s SER 562 N -2.10 0.16 -0.03 5.90 0.01 -1.26 -1.02 113.70 115.37 2dwx s SER 562 Ca 0.20 0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.62 2dwx s SER 562 Cb -0.11 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 2dwx s SER 562 CO 0.12 -0.15 -0.25 0.00 0.41 0.00 0.00 173.24 173.37 2dwx s ALA 563 N 1.22 2.10 0.36 1.44 0.00 0.15 -4.98 121.76 122.05 2dwx s ALA 563 Ca -0.08 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 50.90 2dwx s ALA 563 Cb -0.13 -0.56 -0.07 0.00 0.00 0.00 0.00 23.12 22.37 2dwx s ALA 563 CO -0.03 0.50 -0.08 0.14 0.00 0.00 0.00 175.76 176.29 2dwx s VAL 564 N -0.52 2.19 0.97 0.00 -7.23 -1.26 -0.20 120.40 114.35 2dwx s VAL 564 Ca 0.08 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 2dwx s VAL 564 Cb -0.10 -2.71 0.14 0.00 0.56 0.00 0.00 36.38 34.26 2dwx s VAL 564 CO -0.00 -0.16 0.88 -2.65 -0.31 0.00 0.00 175.10 172.86 2dwx n PRO 565 N -0.83 -0.74 0.13 4.82 -0.02 -1.26 -4.92 135.00 132.18 2dwx n PRO 565 Ca -0.05 -0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.26 2dwx n PRO 565 Cb 0.64 -2.18 0.15 0.00 -0.02 0.00 0.00 33.50 32.09 2dwx n PRO 565 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2dwx h LYS 566 N -1.93 0.00 0.00 -0.52 3.11 -2.01 -2.68 116.57 112.54 2dwx h LYS 566 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2dwx h LYS 566 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 2dwx h LYS 566 CO 0.40 0.64 0.00 1.33 -2.81 0.00 0.00 179.45 179.01 2dwx n VAL 567 N -3.68 0.69 -4.20 2.00 0.24 -1.26 -4.65 118.33 107.47 2dwx n VAL 567 Ca -0.01 0.17 -0.24 0.00 -2.04 0.00 0.00 64.34 62.22 2dwx n VAL 567 Cb 0.65 -0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 32.09 2dwx n VAL 567 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2dwx s MET 568 N -2.90 2.55 0.16 7.34 -1.94 -1.01 -4.59 119.30 118.92 2dwx s MET 568 Ca 0.11 -1.16 0.11 0.00 -1.71 0.00 0.00 55.69 53.03 2dwx s MET 568 Cb 0.12 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 2dwx s MET 568 CO 0.32 0.42 -0.22 0.21 -0.01 0.00 0.00 175.02 175.74 2dwx s LYS 569 N -3.39 1.61 -0.09 2.03 2.20 -1.00 -4.76 119.74 116.34 2dwx s LYS 569 Ca 0.30 -1.39 -0.02 0.00 -0.36 0.00 0.00 55.97 54.50 2dwx s LYS 569 Cb -0.08 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.33 2dwx s LYS 569 CO 0.21 0.43 0.02 0.54 -0.36 0.00 0.00 175.35 176.19 2dwx s VAL 570 N -1.45 0.29 -0.34 4.02 0.11 -1.26 -1.39 120.40 120.37 2dwx s VAL 570 Ca 0.19 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.18 2dwx s VAL 570 Cb -0.09 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2dwx s VAL 570 CO 0.10 0.15 0.24 -0.75 -3.33 0.00 0.00 175.10 171.50 2dwx s LYS 571 N 2.00 3.43 -0.46 1.54 2.47 -0.29 -4.96 119.74 123.47 2dwx s LYS 571 Ca 0.04 -0.69 -0.23 0.00 -1.56 0.00 0.00 55.97 53.54 2dwx s LYS 571 Cb -0.13 -3.80 0.03 0.00 -1.46 0.00 0.00 37.83 32.47 2dwx s LYS 571 CO -0.05 -0.47 0.78 -0.51 0.16 0.00 0.00 175.35 175.25 2dwx s LEU 572 N 1.71 4.29 0.87 5.43 2.01 -1.26 -0.85 118.68 130.88 2dwx s LEU 572 Ca 0.06 -0.18 -0.12 0.00 0.01 0.00 0.00 54.13 53.90 2dwx s LEU 572 Cb -0.17 -2.91 0.11 0.00 0.01 0.00 0.00 46.19 43.22 2dwx s LEU 572 CO 0.10 -0.92 1.10 -1.10 1.01 0.00 0.00 176.35 176.53 2dwx s GLN 573 N 3.26 1.48 0.29 1.70 -1.52 -0.60 -5.01 119.66 119.26 2dwx s GLN 573 Ca 0.29 0.69 -0.27 0.00 -1.95 0.00 0.00 55.36 54.11 2dwx s GLN 573 Cb -0.13 -1.85 -0.10 0.00 -0.22 0.00 0.00 33.01 30.72 2dwx s GLN 573 CO 0.22 -2.05 0.95 -2.14 -0.25 0.00 0.00 175.29 172.01 2dwx s PRO 574 N -5.04 4.68 0.70 2.91 0.02 -1.26 -4.59 135.00 132.41 2dwx s PRO 574 Ca 0.63 1.39 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 2dwx s PRO 574 Cb -0.16 -2.97 0.02 0.00 0.02 0.00 0.00 34.50 31.40 2dwx s PRO 574 CO 0.56 0.36 1.09 -1.25 -0.33 0.00 0.00 177.00 177.42 2dwx s PRO 575 N -1.74 2.71 0.00 5.54 0.04 -1.26 -4.64 135.00 135.64 2dwx s PRO 575 Ca 0.47 1.20 0.19 0.00 0.04 0.00 0.00 61.00 62.89 2dwx s PRO 575 Cb -0.21 -1.95 0.95 0.00 0.04 0.00 0.00 34.50 33.33 2dwx s PRO 575 CO 0.27 -1.30 1.58 -1.13 0.04 0.00 0.00 177.00 176.46 2dwx n SER 576 N -2.90 0.00 -3.64 6.66 3.41 0.15 -4.86 113.62 112.43 2dwx n SER 576 Ca 0.09 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.71 2dwx n SER 576 Cb 0.53 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2dwx n SER 576 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dwx s GLY 577 N -2.56 -0.37 0.00 5.00 0.00 -1.26 -4.90 107.32 103.23 2dwx s GLY 577 Ca 0.18 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2dwx s GLY 577 CO 0.28 0.27 0.00 2.41 0.00 0.00 0.00 173.10 176.06 2dwx n THR 578 N -0.50 0.00 -3.80 0.90 -1.04 -1.26 -4.97 114.28 103.61 2dwx n THR 578 Ca -0.08 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 2dwx n THR 578 Cb 0.62 0.57 -0.10 0.00 -1.82 0.00 0.00 70.33 69.61 2dwx n THR 578 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2dwx s GLU 579 N -1.30 0.54 0.20 -2.82 -1.05 -1.26 -0.71 118.70 112.30 2dwx s GLU 579 Ca 0.00 -0.15 0.01 0.00 -0.15 0.00 0.00 54.97 54.68 2dwx s GLU 579 Cb 0.00 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 2dwx s GLU 579 CO 0.00 -0.13 0.35 -0.51 0.95 0.00 0.00 175.26 175.92 2dwx s LEU 580 N -1.07 4.27 0.00 1.83 1.43 -0.75 -4.97 118.68 119.41 2dwx s LEU 580 Ca -0.11 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.17 2dwx s LEU 580 Cb -0.05 -3.03 0.18 0.00 0.03 0.00 0.00 46.19 43.31 2dwx s LEU 580 CO 0.03 -0.03 1.12 -0.81 0.23 0.00 0.00 176.35 176.89 2dwx n PRO 581 N -0.79 -0.67 -1.36 1.29 -0.04 -1.26 -2.81 135.00 129.36 2dwx n PRO 581 Ca -0.06 -2.31 -0.31 0.00 -0.04 0.00 0.00 63.50 60.77 2dwx n PRO 581 Cb 0.54 -0.98 0.08 0.00 -0.04 0.00 0.00 33.50 33.11 2dwx n PRO 581 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dwx s ALA 582 N -3.57 2.34 0.74 0.55 0.00 -1.26 -4.44 121.76 116.13 2dwx s ALA 582 Ca 0.68 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 2dwx s ALA 582 Cb -0.03 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.87 2dwx s ALA 582 CO 0.47 -1.63 1.12 0.12 0.00 0.00 0.00 175.76 175.84 2dwx s PHE 583 N -2.86 2.41 -0.25 0.00 2.19 -1.00 -4.91 117.98 113.56 2dwx s PHE 583 Ca 0.61 1.59 -0.09 0.00 0.33 0.00 0.00 56.93 59.37 2dwx s PHE 583 Cb -0.17 -3.19 0.11 0.00 -1.31 0.00 0.00 43.02 38.46 2dwx s PHE 583 CO 0.54 -1.98 0.54 1.21 1.83 0.00 0.00 175.22 177.36 2dwx s ASN 584 N -2.80 -0.72 0.44 6.13 3.84 -1.26 -4.93 114.94 115.63 2dwx s ASN 584 Ca 0.66 1.29 0.16 0.00 0.21 0.00 0.00 52.86 55.17 2dwx s ASN 584 Cb -0.21 1.75 1.07 0.00 -0.55 0.00 0.00 41.25 43.31 2dwx s ASN 584 CO 0.49 -0.22 1.95 1.55 -2.79 0.00 0.00 177.10 178.07 2dwx h PRO 585 N 7.95 0.37 0.00 0.43 0.13 -2.02 -3.30 132.00 135.56 2dwx h PRO 585 Ca -0.19 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.74 2dwx h PRO 585 Cb 1.12 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 2dwx h PRO 585 CO 0.12 0.24 -1.13 -0.89 -0.23 0.00 0.00 178.00 176.12 2dwx n ILE 586 N -4.47 1.50 -2.23 -3.56 5.41 -1.26 -4.95 119.36 109.80 2dwx n ILE 586 Ca 0.12 0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.56 2dwx n ILE 586 Cb 0.48 -2.14 -0.00 0.00 -0.71 0.00 0.00 39.64 37.27 2dwx n ILE 586 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2dwx s VAL 587 N -2.35 3.48 -0.44 1.39 1.01 -1.24 -4.93 120.40 117.31 2dwx s VAL 587 Ca -0.26 0.84 -0.27 0.00 0.00 0.00 0.00 61.98 62.30 2dwx s VAL 587 Cb 0.05 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2dwx s VAL 587 CO 0.48 -0.27 2.16 -1.00 0.00 0.00 0.00 175.10 176.46 2dwx s HIS 588 N -2.04 1.34 0.88 5.22 3.76 -1.26 -4.85 115.29 118.33 2dwx s HIS 588 Ca 0.69 1.06 -0.12 0.00 -0.15 0.00 0.00 55.06 56.53 2dwx s HIS 588 Cb -0.20 -3.85 0.08 0.00 1.11 0.00 0.00 32.58 29.73 2dwx s HIS 588 CO 0.29 -2.83 0.91 -0.35 -0.85 0.00 0.00 174.74 171.91 2dwx n PRO 589 N 8.92 -0.17 -4.39 8.40 -0.04 -1.26 -5.03 135.00 141.43 2dwx n PRO 589 Ca 0.30 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.49 2dwx n PRO 589 Cb 0.51 -2.21 -0.08 0.00 -0.04 0.00 0.00 33.50 31.69 2dwx n PRO 589 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dwx s SER 590 N -2.22 4.23 0.10 3.54 1.04 -1.26 -5.15 113.70 113.97 2dwx s SER 590 Ca 0.66 -1.33 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 2dwx s SER 590 Cb -0.25 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.80 2dwx s SER 590 CO 0.58 -0.67 0.34 0.00 0.98 0.00 0.00 173.24 174.48 2dwx s ALA 591 N -2.72 -0.75 -0.10 5.32 0.00 -1.26 -4.71 121.76 117.54 2dwx s ALA 591 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 2dwx s ALA 591 Cb 0.04 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2dwx s ALA 591 CO 0.16 -0.56 0.02 -1.50 0.00 0.00 0.00 175.76 173.88 2dwx s ILE 592 N -3.52 4.47 -0.04 0.00 -1.16 0.07 -4.93 121.20 116.09 2dwx s ILE 592 Ca 0.01 -0.18 0.04 0.00 -0.51 0.00 0.00 60.65 60.01 2dwx s ILE 592 Cb 0.02 -2.90 -0.00 0.00 0.61 0.00 0.00 42.46 40.18 2dwx s ILE 592 CO -0.10 0.59 -0.16 -0.89 -2.81 0.00 0.00 174.94 171.58 2dwx s THR 593 N -0.72 1.31 -0.05 4.00 2.01 -1.26 -0.09 115.64 120.84 2dwx s THR 593 Ca 0.12 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 2dwx s THR 593 Cb -0.12 -1.14 0.04 0.00 0.01 0.00 0.00 72.50 71.29 2dwx s THR 593 CO 0.02 0.38 0.12 -1.58 -0.69 0.00 0.00 174.62 172.87 2dwx s GLN 594 N 0.12 0.06 0.13 4.92 0.74 -0.18 -0.68 119.66 124.78 2dwx s GLN 594 Ca -0.05 0.32 -0.14 0.00 0.05 0.00 0.00 55.36 55.55 2dwx s GLN 594 Cb -0.11 -0.18 -0.07 0.00 1.10 0.00 0.00 33.01 33.74 2dwx s GLN 594 CO 0.02 -0.16 0.52 0.08 -0.55 0.00 0.00 175.29 175.20 2dwx s VAL 595 N 1.10 4.90 -0.07 1.34 1.01 -1.26 -1.11 120.40 126.31 2dwx s VAL 595 Ca -0.09 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 2dwx s VAL 595 Cb -0.11 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2dwx s VAL 595 CO -0.05 0.27 0.05 -1.48 0.00 0.00 0.00 175.10 173.89 2dwx s LEU 596 N -1.90 0.29 0.13 3.92 0.05 -0.16 -1.57 118.68 119.45 2dwx s LEU 596 Ca 0.36 -0.08 -0.18 0.00 0.05 0.00 0.00 54.13 54.29 2dwx s LEU 596 Cb -0.15 -0.23 -0.07 0.00 -2.05 0.00 0.00 46.19 43.69 2dwx s LEU 596 CO 0.19 -0.25 0.60 -0.76 -0.55 0.00 0.00 176.35 175.57 2dwx s LEU 597 N 2.12 4.42 -0.04 1.48 1.43 -0.03 -1.59 118.68 126.48 2dwx s LEU 597 Ca 0.04 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2dwx s LEU 597 Cb -0.13 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.93 2dwx s LEU 597 CO -0.04 0.16 -0.02 -0.22 0.23 0.00 0.00 176.35 176.46 2dwx s LEU 598 N -1.60 1.23 -0.21 1.79 0.20 -0.70 -1.14 118.68 118.25 2dwx s LEU 598 Ca 0.35 -0.07 -0.03 0.00 0.69 0.00 0.00 54.13 55.07 2dwx s LEU 598 Cb -0.17 -0.32 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 2dwx s LEU 598 CO 0.20 -0.08 -0.06 0.00 -0.29 0.00 0.00 176.35 176.11 2dwx s ALA 599 N 0.98 2.76 -0.61 5.97 0.00 -0.49 -0.87 121.76 129.51 2dwx s ALA 599 Ca -0.10 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.78 2dwx s ALA 599 Cb -0.14 -1.62 0.26 0.00 0.00 0.00 0.00 23.12 21.63 2dwx s ALA 599 CO -0.01 -0.36 0.75 -1.71 0.00 0.00 0.00 175.76 174.44 2dwx n ASN 600 N 4.66 3.51 0.09 0.00 5.15 -0.93 -2.36 115.26 125.38 2dwx n ASN 600 Ca -0.18 -3.41 0.03 0.00 -0.60 0.00 0.00 54.58 50.42 2dwx n ASN 600 Cb 0.51 -0.65 0.43 0.00 -0.53 0.00 0.00 39.78 39.53 2dwx n ASN 600 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2dwx h PRO 601 N 4.00 0.33 -0.54 1.20 0.13 -1.82 0.41 132.00 135.70 2dwx h PRO 601 Ca 0.18 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 2dwx h PRO 601 Cb 0.66 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 2dwx h PRO 601 CO 0.80 0.34 0.28 1.96 -0.23 0.00 0.00 178.00 181.15 2dwx h GLN 602 N 0.32 0.77 -2.19 0.86 7.50 -1.91 -3.48 115.11 116.99 2dwx h GLN 602 Ca 0.08 -0.10 -0.07 0.00 0.50 0.00 0.00 58.65 59.06 2dwx h GLN 602 Cb 0.18 -0.14 0.03 0.00 0.05 0.00 0.00 27.48 27.60 2dwx h GLN 602 CO 0.00 0.62 -0.13 1.63 -1.50 0.00 0.00 178.83 179.45 2dwx n LYS 603 N -4.59 -1.38 -0.02 1.46 5.02 0.13 -5.08 118.16 113.70 2dwx n LYS 603 Ca 0.03 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2dwx n LYS 603 Cb 0.10 -3.12 0.00 0.00 -0.02 0.00 0.00 35.03 31.99 2dwx n LYS 603 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2dwx n GLU 604 N -1.42 2.06 -2.43 1.97 -0.58 -1.26 -4.81 120.64 114.16 2dwx n GLU 604 Ca -0.02 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.29 2dwx n GLU 604 Cb 0.52 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.37 2dwx n GLU 604 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2dwx s LYS 605 N 1.52 3.75 -0.18 3.49 2.47 -1.26 -4.70 119.74 124.83 2dwx s LYS 605 Ca 0.00 1.00 -0.28 0.00 -1.56 0.00 0.00 55.97 55.14 2dwx s LYS 605 Cb 0.00 -3.94 -0.00 0.00 -1.46 0.00 0.00 37.83 32.43 2dwx s LYS 605 CO 0.00 -1.34 0.96 0.08 0.16 0.00 0.00 175.35 175.21 2dwx s VAL 606 N 4.79 4.78 0.09 4.02 1.01 -1.26 -5.04 120.40 128.79 2dwx s VAL 606 Ca 0.56 1.89 0.06 0.00 0.00 0.00 0.00 61.98 64.49 2dwx s VAL 606 Cb -0.14 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2dwx s VAL 606 CO 0.28 -0.06 -0.15 -0.60 0.00 0.00 0.00 175.10 174.57 2dwx s ARG 607 N 2.53 0.91 0.08 2.72 3.52 -1.26 -4.48 118.95 122.97 2dwx s ARG 607 Ca 0.43 -1.06 0.07 0.00 -0.13 0.00 0.00 55.73 55.04 2dwx s ARG 607 Cb -0.16 -0.91 -0.03 0.00 -1.56 0.00 0.00 34.95 32.28 2dwx s ARG 607 CO 0.11 0.20 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.45 2dwx s LEU 608 N -1.97 2.26 -0.18 -0.88 0.20 0.16 -4.27 118.68 113.99 2dwx s LEU 608 Ca 0.02 -0.62 -0.00 0.00 0.69 0.00 0.00 54.13 54.22 2dwx s LEU 608 Cb -0.08 -0.75 0.01 0.00 -0.43 0.00 0.00 46.19 44.94 2dwx s LEU 608 CO 0.03 0.03 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.83 2dwx s ARG 609 N -1.67 3.15 0.26 1.98 0.52 0.72 -1.35 118.95 122.56 2dwx s ARG 609 Ca 0.03 -0.76 0.10 0.00 -0.52 0.00 0.00 55.73 54.58 2dwx s ARG 609 Cb -0.10 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 2dwx s ARG 609 CO 0.03 -0.14 -0.02 1.52 0.02 0.00 0.00 175.30 176.71 2dwx s TYR 610 N 1.19 2.66 -0.15 -0.53 1.13 -1.05 0.31 117.35 120.91 2dwx s TYR 610 Ca 0.02 -0.23 -0.01 0.00 -1.41 0.00 0.00 57.07 55.44 2dwx s TYR 610 Cb -0.14 -1.18 0.04 0.00 -1.10 0.00 0.00 41.96 39.58 2dwx s TYR 610 CO -0.07 0.63 -0.05 0.21 -2.51 0.00 0.00 175.55 173.76 2dwx s LYS 611 N -3.64 1.35 -0.13 -3.49 2.20 -0.18 -3.30 119.74 112.55 2dwx s LYS 611 Ca 0.31 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2dwx s LYS 611 Cb -0.06 -1.84 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 2dwx s LYS 611 CO 0.19 -0.40 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.47 2dwx s LEU 612 N 1.69 2.64 -0.08 5.43 0.20 -0.94 -0.81 118.68 126.82 2dwx s LEU 612 Ca 0.02 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.49 2dwx s LEU 612 Cb -0.14 -1.59 0.02 0.00 -0.43 0.00 0.00 46.19 44.05 2dwx s LEU 612 CO -0.08 0.17 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.20 2dwx s THR 613 N 0.34 0.81 -0.08 3.68 2.01 -0.79 -1.36 115.64 120.25 2dwx s THR 613 Ca -0.12 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.42 2dwx s THR 613 Cb -0.16 -0.83 0.06 0.00 0.01 0.00 0.00 72.50 71.57 2dwx s THR 613 CO 0.06 0.31 0.59 0.72 -0.69 0.00 0.00 174.62 175.61 2dwx s PHE 614 N 1.38 -0.56 -0.20 4.92 -0.71 -1.03 -0.92 117.98 120.85 2dwx s PHE 614 Ca -0.02 1.07 -0.09 0.00 -1.04 0.00 0.00 56.93 56.84 2dwx s PHE 614 Cb -0.14 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.93 2dwx s PHE 614 CO -0.03 -0.50 0.10 0.99 -1.34 0.00 0.00 175.22 174.44 2dwx s THR 615 N -0.86 5.10 -0.63 -4.49 2.01 -0.44 -0.70 115.64 115.63 2dwx s THR 615 Ca -0.09 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.04 2dwx s THR 615 Cb -0.02 -3.33 0.18 0.00 0.01 0.00 0.00 72.50 69.34 2dwx s THR 615 CO 0.07 0.43 0.48 0.80 -0.69 0.00 0.00 174.62 175.71 2dwx n MET 616 N 3.71 1.51 0.00 4.92 0.00 -0.65 -1.26 117.12 125.34 2dwx n MET 616 Ca -0.16 -4.20 0.00 0.00 0.00 0.00 0.00 57.70 53.34 2dwx n MET 616 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 33.22 31.61 2dwx n MET 616 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dwx n GLY 617 N 2.06 0.95 0.07 -5.12 0.00 -1.26 -4.31 105.19 97.57 2dwx n GLY 617 Ca 0.23 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 2dwx n GLY 617 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dwx n ASP 618 N 0.00 2.55 -4.77 1.61 8.00 -1.26 -5.01 116.55 117.67 2dwx n ASP 618 Ca 0.00 -0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.05 2dwx n ASP 618 Cb 0.00 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 2dwx n ASP 618 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2dwx s GLN 619 N -2.29 4.27 0.10 -1.24 2.00 -1.26 -5.06 119.66 116.19 2dwx s GLN 619 Ca -0.13 2.25 0.10 0.00 -2.00 0.00 0.00 55.36 55.58 2dwx s GLN 619 Cb 0.04 -3.01 -0.04 0.00 0.80 0.00 0.00 33.01 30.81 2dwx s GLN 619 CO 0.40 -0.28 -0.25 0.99 -0.50 0.00 0.00 175.29 175.65 2dwx s THR 620 N -1.16 2.38 -0.02 -0.34 2.01 -1.26 -1.63 115.64 115.62 2dwx s THR 620 Ca 0.51 -1.60 0.06 0.00 0.31 0.00 0.00 61.69 60.96 2dwx s THR 620 Cb -0.40 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 2dwx s THR 620 CO 0.54 0.16 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.13 2dwx s TYR 621 N -1.02 1.71 -0.33 4.92 1.51 0.13 -4.98 117.35 119.29 2dwx s TYR 621 Ca 0.14 -0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 55.84 2dwx s TYR 621 Cb -0.10 -1.11 0.11 0.00 -0.11 0.00 0.00 41.96 40.74 2dwx s TYR 621 CO 0.06 -0.06 0.12 -0.80 -1.11 0.00 0.00 175.55 173.77 2dwx s ASN 622 N -0.35 3.91 0.21 2.29 0.01 -1.26 -2.47 114.94 117.28 2dwx s ASN 622 Ca 0.05 -1.79 0.09 0.00 -0.71 0.00 0.00 52.86 50.50 2dwx s ASN 622 Cb -0.08 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 2dwx s ASN 622 CO -0.00 -0.39 -0.04 -1.61 -1.51 0.00 0.00 177.10 173.54 2dwx s GLU 623 N 1.44 2.22 -0.08 -0.60 8.01 -0.46 -4.98 118.70 124.24 2dwx s GLU 623 Ca 0.11 -1.28 -0.12 0.00 0.01 0.00 0.00 54.97 53.69 2dwx s GLU 623 Cb -0.18 -2.21 0.03 0.00 -4.31 0.00 0.00 34.13 27.46 2dwx s GLU 623 CO -0.21 0.42 0.30 -1.64 0.01 0.00 0.00 175.26 174.14 2dwx s MET 624 N -3.14 0.46 0.13 1.61 -1.94 -1.26 -2.21 119.30 112.95 2dwx s MET 624 Ca 0.28 0.22 -0.25 0.00 -1.71 0.00 0.00 55.69 54.22 2dwx s MET 624 Cb -0.08 0.21 0.07 0.00 2.01 0.00 0.00 34.83 37.04 2dwx s MET 624 CO 0.18 -0.09 0.86 0.20 -0.01 0.00 0.00 175.02 176.16 2dwx s GLY 625 N -0.33 -0.32 -0.21 -0.03 0.00 -1.21 -5.03 107.32 100.21 2dwx s GLY 625 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.01 2dwx s GLY 625 CO 0.02 0.09 -0.14 0.99 0.00 0.00 0.00 173.10 174.06 2dwx s ASP 626 N -2.80 3.66 -0.33 1.64 1.11 -1.26 -2.53 116.67 116.16 2dwx s ASP 626 Ca 0.09 -0.73 -0.15 0.00 0.18 0.00 0.00 52.55 51.94 2dwx s ASP 626 Cb -0.02 -1.56 -0.02 0.00 1.07 0.00 0.00 42.92 42.39 2dwx s ASP 626 CO -0.02 -0.05 0.35 -0.69 1.18 0.00 0.00 175.17 175.95 2dwx s VAL 627 N 1.30 5.18 0.00 -1.27 1.01 -0.46 -4.90 120.40 121.26 2dwx s VAL 627 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2dwx s VAL 627 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2dwx s VAL 627 CO -0.09 -0.03 0.56 -0.90 0.00 0.00 0.00 175.10 174.64 2dwx n ASP 628 N 5.35 0.98 -3.65 3.32 3.85 -1.26 0.35 116.55 125.49 2dwx n ASP 628 Ca -0.09 -1.30 -0.36 0.00 -0.71 0.00 0.00 54.79 52.33 2dwx n ASP 628 Cb 0.50 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.24 2dwx n ASP 628 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 2dwx n GLN 629 N -0.15 3.87 -3.30 0.11 7.27 -1.26 -4.82 117.38 119.11 2dwx n GLN 629 Ca 0.00 -4.65 -0.21 0.00 0.07 0.00 0.00 57.00 52.21 2dwx n GLN 629 Cb 0.19 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 30.44 2dwx n GLN 629 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 2dwx s PHE 630 N -3.00 3.21 0.34 3.69 0.40 -1.26 -4.92 117.98 116.43 2dwx s PHE 630 Ca 0.37 0.02 -0.27 0.00 -0.60 0.00 0.00 56.93 56.45 2dwx s PHE 630 Cb 0.13 -2.09 -0.09 0.00 0.51 0.00 0.00 43.02 41.47 2dwx s PHE 630 CO 0.01 -0.12 1.17 -2.14 0.70 0.00 0.00 175.22 174.84 2dwx s PRO 631 N -4.33 4.34 0.43 0.24 0.02 -1.26 -4.96 135.00 129.48 2dwx s PRO 631 Ca 0.45 1.89 -0.26 0.00 0.02 0.00 0.00 61.00 63.11 2dwx s PRO 631 Cb -0.10 -2.94 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 2dwx s PRO 631 CO 0.34 -0.08 1.36 -1.25 -0.33 0.00 0.00 177.00 177.04 2dwx s PRO 632 N -1.89 3.81 0.45 5.54 0.04 -1.26 -4.85 135.00 136.85 2dwx s PRO 632 Ca 0.51 2.28 0.20 0.00 0.04 0.00 0.00 61.00 64.03 2dwx s PRO 632 Cb -0.33 -2.69 1.18 0.00 0.04 0.00 0.00 34.50 32.70 2dwx s PRO 632 CO 0.42 -0.66 1.88 -1.35 0.04 0.00 0.00 177.00 177.33 2dwx h PRO 633 N 2.47 0.30 0.00 0.56 0.11 -1.87 -1.96 132.00 131.61 2dwx h PRO 633 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2dwx h PRO 633 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dwx h PRO 633 CO 0.62 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.99 2dwx n GLU 634 N -4.46 0.06 -0.00 1.05 4.71 -1.26 -1.93 120.64 118.82 2dwx n GLU 634 Ca 0.18 0.48 0.08 0.00 -0.01 0.00 0.00 57.16 57.89 2dwx n GLU 634 Cb 0.72 -1.67 -0.10 0.00 -1.01 0.00 0.00 31.44 29.38 2dwx n GLU 634 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2dwx n THR 635 N -1.80 0.00 -0.37 2.62 5.66 -0.74 -4.63 114.28 115.02 2dwx n THR 635 Ca 0.01 -0.12 -0.01 0.00 -3.05 0.00 0.00 64.05 60.88 2dwx n THR 635 Cb 0.07 0.93 0.12 0.00 -1.55 0.00 0.00 70.33 69.90 2dwx n THR 635 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 175.07 171.52 2dwx h TRP 636 N 0.00 1.24 0.00 1.09 4.06 -1.53 -1.43 115.95 119.37 2dwx h TRP 636 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2dwx h TRP 636 Cb 0.44 -0.41 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2dwx h TRP 636 CO 0.00 0.74 0.00 0.41 -3.56 0.00 0.00 178.44 176.03 2dwx n GLY 637 N -1.37 -0.82 0.13 1.49 0.00 -1.25 -3.41 105.19 99.95 2dwx n GLY 637 Ca 0.13 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.10 2dwx n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dwx n SER 638 N -1.35 0.70 0.00 1.61 3.41 -0.59 -5.01 113.62 112.39 2dwx n SER 638 Ca 0.06 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 2dwx n SER 638 Cb 0.13 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2dwx n SER 638 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06