#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cm5 n LEU 526 N 0.00 4.58 -1.26 0.00 4.77 -1.26 -4.94 117.00 118.89 2cm5 n LEU 526 Ca 0.00 -4.62 -0.11 0.00 -0.03 0.00 0.00 56.01 51.24 2cm5 n LEU 526 Cb 0.00 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2cm5 n LEU 526 CO 0.00 2.02 -0.14 -1.22 -1.33 0.00 0.00 177.39 176.72 2cm5 n TYR 527 N -0.67 -0.48 0.24 -1.77 4.01 -1.26 -4.91 117.16 112.32 2cm5 n TYR 527 Ca 0.40 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.23 2cm5 n TYR 527 Cb 0.93 -2.58 0.62 0.00 -0.31 0.00 0.00 39.34 37.99 2cm5 n TYR 527 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2cm5 h GLU 528 N 0.00 0.00 -0.62 -0.72 3.07 -2.01 -1.60 114.58 112.71 2cm5 h GLU 528 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2cm5 h GLU 528 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2cm5 h GLU 528 CO 0.33 0.16 0.00 0.39 -1.40 0.00 0.00 179.01 178.48 2cm5 n GLU 529 N -3.96 3.02 -3.10 2.33 1.02 -1.26 -1.07 120.64 117.63 2cm5 n GLU 529 Ca -0.02 -2.24 -0.19 0.00 -0.02 0.00 0.00 57.16 54.69 2cm5 n GLU 529 Cb 0.25 -1.71 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 2cm5 n GLU 529 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2cm5 s GLU 530 N -1.68 2.90 0.00 3.49 2.02 -0.60 -4.49 118.70 120.34 2cm5 s GLU 530 Ca 0.40 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2cm5 s GLU 530 Cb 0.25 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.76 2cm5 s GLU 530 CO 0.21 -0.23 0.00 -0.89 0.02 0.00 0.00 175.26 174.37 2cm5 n ILE 538 N -1.88 0.00 -0.03 -1.63 -0.00 -1.26 -3.05 119.36 111.52 2cm5 n ILE 538 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.67 2cm5 n ILE 538 Cb 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.15 2cm5 n ILE 538 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 2cm5 h GLU 539 N 0.00 0.16 -6.43 0.38 4.81 -2.03 -3.39 114.58 108.08 2cm5 h GLU 539 Ca 0.00 -0.06 -0.57 0.00 -0.13 0.00 0.00 59.36 58.60 2cm5 h GLU 539 Cb 0.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2cm5 h GLU 539 CO 0.00 0.47 1.10 -2.00 -0.73 0.00 0.00 179.01 177.84 2cm5 s GLU 540 N -4.80 3.61 -0.01 1.92 2.56 -1.26 -4.89 118.70 115.84 2cm5 s GLU 540 Ca -0.15 1.15 0.22 0.00 0.00 0.00 0.00 54.97 56.19 2cm5 s GLU 540 Cb 0.04 -4.03 -0.26 0.00 2.00 0.00 0.00 34.13 31.88 2cm5 s GLU 540 CO 0.70 -1.51 0.67 0.54 -0.56 0.00 0.00 175.26 175.10 2cm5 n ARG 541 N 7.97 0.41 0.00 4.30 5.12 -1.26 -4.19 116.66 129.01 2cm5 n ARG 541 Ca 0.18 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2cm5 n ARG 541 Cb 0.47 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 2cm5 n ARG 541 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cm5 n GLY 542 N 1.35 1.79 3.26 -0.13 0.00 -1.19 -1.98 105.19 108.29 2cm5 n GLY 542 Ca -0.01 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.61 2cm5 n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cm5 s LYS 543 N -1.65 1.06 -0.01 1.61 1.02 -0.54 -1.38 119.74 119.85 2cm5 s LYS 543 Ca 0.00 -1.12 0.05 0.00 0.02 0.00 0.00 55.97 54.92 2cm5 s LYS 543 Cb 0.00 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.04 2cm5 s LYS 543 CO 0.00 0.29 -0.15 -1.50 -0.92 0.00 0.00 175.35 173.07 2cm5 s ILE 544 N -1.20 1.19 -0.29 2.17 2.07 -0.23 -1.12 121.20 123.80 2cm5 s ILE 544 Ca 0.05 -0.64 -0.09 0.00 -1.41 0.00 0.00 60.65 58.55 2cm5 s ILE 544 Cb -0.10 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.47 2cm5 s ILE 544 CO 0.04 0.34 0.14 -0.22 -1.91 0.00 0.00 174.94 173.33 2cm5 s LEU 545 N -0.31 3.90 -0.05 8.50 2.96 -0.18 -0.67 118.68 132.83 2cm5 s LEU 545 Ca 0.05 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2cm5 s LEU 545 Cb -0.06 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 2cm5 s LEU 545 CO -0.00 -0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.04 2cm5 s VAL 546 N 1.65 1.50 -0.01 1.68 1.01 -0.70 -1.49 120.40 124.04 2cm5 s VAL 546 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2cm5 s VAL 546 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2cm5 s VAL 546 CO 0.07 0.43 -0.02 -0.94 0.00 0.00 0.00 175.10 174.63 2cm5 s SER 547 N 0.09 4.95 0.34 3.32 1.04 -0.14 -1.30 113.70 122.00 2cm5 s SER 547 Ca -0.06 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.37 2cm5 s SER 547 Cb -0.12 -1.26 -0.06 0.00 0.10 0.00 0.00 66.02 64.68 2cm5 s SER 547 CO 0.03 0.29 0.06 -0.76 0.98 0.00 0.00 173.24 173.84 2cm5 s LEU 548 N -1.42 2.18 -0.13 2.42 1.43 0.02 -0.71 118.68 122.47 2cm5 s LEU 548 Ca 0.18 -1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 51.85 2cm5 s LEU 548 Cb -0.11 -0.37 0.04 0.00 0.03 0.00 0.00 46.19 45.78 2cm5 s LEU 548 CO 0.08 -0.64 0.01 -0.47 0.23 0.00 0.00 176.35 175.56 2cm5 s TYR 550 N -3.27 0.88 -0.33 0.29 5.04 -1.26 -0.40 117.35 118.31 2cm5 s TYR 550 Ca 0.35 -0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.32 2cm5 s TYR 550 Cb 0.08 -0.93 -0.02 0.00 0.35 0.00 0.00 41.96 41.45 2cm5 s TYR 550 CO 0.15 -0.46 0.38 0.45 -1.34 0.00 0.00 175.55 174.74 2cm5 s SER 551 N 1.91 6.21 0.44 4.32 0.15 -0.28 -0.40 113.70 126.05 2cm5 s SER 551 Ca 0.03 -0.08 0.24 0.00 0.70 0.00 0.00 55.95 56.84 2cm5 s SER 551 Cb -0.14 -2.21 0.67 0.00 -1.71 0.00 0.00 66.02 62.63 2cm5 s SER 551 CO -0.07 -0.32 1.72 0.71 1.20 0.00 0.00 173.24 176.48 2cm5 h THR 552 N 5.51 0.29 -0.14 6.45 1.35 -1.96 0.38 112.91 124.80 2cm5 h THR 552 Ca -0.30 -1.14 -0.10 0.00 -0.55 0.00 0.00 66.41 64.33 2cm5 h THR 552 Cb 1.15 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 2cm5 h THR 552 CO 0.69 0.14 -0.30 1.56 -0.25 0.00 0.00 175.52 177.37 2cm5 h GLN 553 N 0.00 0.45 0.00 4.72 7.50 -1.96 -3.27 115.11 122.55 2cm5 h GLN 553 Ca -0.00 -0.29 0.00 0.00 0.50 0.00 0.00 58.65 58.85 2cm5 h GLN 553 Cb 0.90 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.46 2cm5 h GLN 553 CO 0.02 0.90 -0.36 1.96 -1.50 0.00 0.00 178.83 179.85 2cm5 h GLN 554 N 0.05 0.00 -3.29 1.46 1.08 -1.97 -3.48 115.11 108.95 2cm5 h GLN 554 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 2cm5 h GLN 554 Cb 0.90 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.39 2cm5 h GLN 554 CO 0.07 0.00 -0.36 0.41 -0.95 0.00 0.00 178.83 177.99 2cm5 n GLY 555 N 1.27 0.08 2.57 3.46 0.00 0.13 -4.99 105.19 107.72 2cm5 n GLY 555 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2cm5 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cm5 n GLY 556 N -1.28 0.56 3.69 -0.02 0.00 -1.05 -2.86 105.19 104.23 2cm5 n GLY 556 Ca -0.02 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 2cm5 n GLY 556 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cm5 s LEU 557 N 0.00 4.21 -0.27 0.99 2.96 -0.35 -1.13 118.68 125.10 2cm5 s LEU 557 Ca 0.18 0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 54.69 2cm5 s LEU 557 Cb -0.01 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 2cm5 s LEU 557 CO 0.01 -0.08 0.15 -0.63 -1.32 0.00 0.00 176.35 174.49 2cm5 s ILE 558 N 1.11 5.07 -0.24 6.68 1.01 -1.26 -0.83 121.20 132.73 2cm5 s ILE 558 Ca 0.24 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.91 2cm5 s ILE 558 Cb -0.15 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2cm5 s ILE 558 CO 0.09 0.29 0.04 -0.69 0.00 0.00 0.00 174.94 174.67 2cm5 s VAL 559 N 1.60 4.07 -0.24 2.92 1.01 0.19 -4.20 120.40 125.75 2cm5 s VAL 559 Ca 0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 2cm5 s VAL 559 Cb -0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2cm5 s VAL 559 CO 0.08 0.35 0.15 -0.83 0.00 0.00 0.00 175.10 174.85 2cm5 s GLY 560 N 1.58 1.95 -0.45 4.51 0.00 0.11 -0.90 107.32 114.12 2cm5 s GLY 560 Ca 0.06 -0.93 -0.13 0.00 0.00 0.00 0.00 44.72 43.72 2cm5 s GLY 560 CO 0.02 0.42 0.33 -0.42 0.00 0.00 0.00 173.10 173.45 2cm5 s ILE 561 N 1.17 4.85 -0.12 0.90 -1.09 0.20 -0.96 121.20 126.15 2cm5 s ILE 561 Ca 0.07 -1.16 -0.05 0.00 -2.23 0.00 0.00 60.65 57.28 2cm5 s ILE 561 Cb -0.14 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2cm5 s ILE 561 CO 0.05 -0.52 -0.10 0.40 -1.23 0.00 0.00 174.94 173.54 2cm5 h ILE 562 N 5.87 0.00 -2.78 2.92 5.03 -1.52 -1.94 117.51 125.09 2cm5 h ILE 562 Ca -0.26 -0.94 0.08 0.00 -0.12 0.00 0.00 64.86 63.61 2cm5 h ILE 562 Cb 1.10 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.81 2cm5 h ILE 562 CO 0.82 0.00 0.31 0.00 -0.68 0.00 0.00 178.15 178.60 2cm5 s ARG 563 N -1.89 1.43 0.21 2.37 1.70 -1.24 -0.88 118.95 120.65 2cm5 s ARG 563 Ca -0.08 -0.72 0.11 0.00 -0.47 0.00 0.00 55.73 54.57 2cm5 s ARG 563 Cb 0.01 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.88 2cm5 s ARG 563 CO 0.12 -0.65 -0.21 0.00 -1.08 0.00 0.00 175.30 173.48 2cm5 s VAL 565 N -2.04 0.55 -0.86 0.00 1.01 -0.28 -3.05 120.40 115.73 2cm5 s VAL 565 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2cm5 s VAL 565 Cb -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2cm5 s VAL 565 CO 0.10 0.21 0.74 1.57 0.00 0.00 0.00 175.10 177.72 2cm5 n HIS 566 N 3.74 -1.75 -1.79 5.22 -0.00 -1.03 -1.46 115.22 118.14 2cm5 n HIS 566 Ca -0.23 0.65 -0.37 0.00 0.46 0.00 0.00 57.72 58.24 2cm5 n HIS 566 Cb 0.52 -3.78 0.06 0.00 -0.12 0.00 0.00 29.99 26.68 2cm5 n HIS 566 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2cm5 s LEU 567 N -5.06 3.59 0.34 0.27 1.43 -0.50 -3.16 118.68 115.59 2cm5 s LEU 567 Ca 0.26 2.59 -0.29 0.00 -1.03 0.00 0.00 54.13 55.67 2cm5 s LEU 567 Cb -0.12 -4.61 -0.12 0.00 0.03 0.00 0.00 46.19 41.37 2cm5 s LEU 567 CO 0.48 -1.94 1.42 0.00 0.23 0.00 0.00 176.35 176.54 2cm5 n ALA 568 N -1.85 1.85 -1.99 4.21 0.00 -0.84 -4.85 120.51 117.05 2cm5 n ALA 568 Ca 0.16 0.36 -0.27 0.00 0.00 0.00 0.00 53.44 53.68 2cm5 n ALA 568 Cb 0.48 -2.35 0.05 0.00 0.00 0.00 0.00 19.45 17.63 2cm5 n ALA 568 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cm5 s ALA 569 N -0.82 3.14 0.00 0.00 0.00 -1.26 -4.70 121.76 118.12 2cm5 s ALA 569 Ca 0.57 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2cm5 s ALA 569 Cb -0.53 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2cm5 s ALA 569 CO 0.59 -1.07 0.00 -0.25 0.00 0.00 0.00 175.76 175.03 2cm5 n ASP 571 N -2.81 0.00 0.18 0.00 8.00 -0.49 -4.86 116.55 116.57 2cm5 n ASP 571 Ca 0.06 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.70 2cm5 n ASP 571 Cb 0.59 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 42.22 2cm5 n ASP 571 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cm5 h ALA 572 N 0.00 1.00 0.00 2.24 0.00 -1.02 -2.36 119.26 119.13 2cm5 h ALA 572 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cm5 h ALA 572 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2cm5 h ALA 572 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.52 2cm5 n ASN 573 N -2.53 0.00 0.00 0.00 0.23 -1.26 -4.85 115.26 106.85 2cm5 n ASN 573 Ca 0.02 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 2cm5 n ASN 573 Cb 0.28 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 2cm5 n ASN 573 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2cm5 n GLY 574 N 0.68 0.58 1.53 4.83 0.00 -0.89 -5.05 105.19 106.87 2cm5 n GLY 574 Ca 0.18 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2cm5 n GLY 574 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cm5 n TYR 575 N -2.77 0.16 -4.17 1.61 4.01 -1.25 -4.77 117.16 109.98 2cm5 n TYR 575 Ca 0.00 -1.17 -0.12 0.00 -0.16 0.00 0.00 57.90 56.46 2cm5 n TYR 575 Cb 0.00 -0.03 -0.09 0.00 -0.31 0.00 0.00 39.34 38.90 2cm5 n TYR 575 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2cm5 s SER 576 N -2.15 0.12 -0.64 7.72 0.01 -1.25 -1.39 113.70 116.11 2cm5 s SER 576 Ca 0.07 -1.32 0.06 0.00 1.31 0.00 0.00 55.95 56.07 2cm5 s SER 576 Cb 0.00 0.41 0.21 0.00 0.21 0.00 0.00 66.02 66.85 2cm5 s SER 576 CO 0.05 -0.88 0.59 0.47 0.41 0.00 0.00 173.24 173.89 2cm5 n ASP 577 N -0.28 2.92 -4.80 2.44 8.00 -1.26 -1.09 116.55 122.48 2cm5 n ASP 577 Ca 0.01 -3.22 -0.35 0.00 0.71 0.00 0.00 54.79 51.94 2cm5 n ASP 577 Cb 0.65 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 2cm5 n ASP 577 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cm5 s PRO 578 N -1.78 4.25 0.07 -0.24 0.04 -0.97 -0.97 135.00 135.40 2cm5 s PRO 578 Ca 0.32 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 2cm5 s PRO 578 Cb 0.06 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2cm5 s PRO 578 CO -0.10 -0.02 0.13 -0.59 0.04 0.00 0.00 177.00 176.45 2cm5 s PHE 579 N -1.91 0.22 -0.07 0.56 -0.71 -0.42 -1.30 117.98 114.35 2cm5 s PHE 579 Ca 0.59 -0.63 0.05 0.00 -1.04 0.00 0.00 56.93 55.90 2cm5 s PHE 579 Cb -0.15 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.52 2cm5 s PHE 579 CO 0.19 -0.47 -0.24 0.08 -1.34 0.00 0.00 175.22 173.45 2cm5 s VAL 580 N -3.51 1.98 -0.08 -2.49 1.01 -1.26 -0.92 120.40 115.12 2cm5 s VAL 580 Ca 0.02 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2cm5 s VAL 580 Cb 0.04 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2cm5 s VAL 580 CO -0.09 0.55 -0.08 -0.54 0.00 0.00 0.00 175.10 174.94 2cm5 s LYS 581 N 0.01 2.89 -0.06 2.72 3.01 0.18 -0.86 119.74 127.64 2cm5 s LYS 581 Ca -0.08 -0.58 0.05 0.00 -1.01 0.00 0.00 55.97 54.35 2cm5 s LYS 581 Cb -0.15 -2.61 -0.02 0.00 -1.01 0.00 0.00 37.83 34.05 2cm5 s LYS 581 CO 0.05 0.57 -0.20 -0.51 0.51 0.00 0.00 175.35 175.77 2cm5 s LEU 582 N -0.55 2.40 -0.09 3.17 1.43 0.22 -1.46 118.68 123.81 2cm5 s LEU 582 Ca 0.08 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2cm5 s LEU 582 Cb -0.12 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.68 2cm5 s LEU 582 CO 0.02 0.29 0.06 0.86 0.23 0.00 0.00 176.35 177.81 2cm5 s TRP 583 N -0.40 0.20 -0.61 0.29 -0.00 -0.30 -1.51 118.94 116.61 2cm5 s TRP 583 Ca 0.04 -0.01 -0.23 0.00 -0.00 0.00 0.00 56.10 55.91 2cm5 s TRP 583 Cb -0.12 -0.60 0.06 0.00 -0.00 0.00 0.00 33.47 32.81 2cm5 s TRP 583 CO 0.02 -0.32 0.92 -1.17 -0.00 0.00 0.00 176.95 176.40 2cm5 s LEU 584 N 2.13 4.35 0.39 5.86 2.96 -0.38 -0.53 118.68 133.45 2cm5 s LEU 584 Ca 0.04 -0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 52.99 2cm5 s LEU 584 Cb -0.13 -2.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.89 2cm5 s LEU 584 CO -0.05 -1.32 0.87 -0.54 -1.32 0.00 0.00 176.35 173.99 2cm5 s LYS 585 N 3.89 4.15 -0.18 1.98 1.02 0.62 -2.13 119.74 129.08 2cm5 s LYS 585 Ca 0.24 0.95 0.02 0.00 0.02 0.00 0.00 55.97 57.21 2cm5 s LYS 585 Cb -0.16 -2.27 0.29 0.00 -0.52 0.00 0.00 37.83 35.17 2cm5 s LYS 585 CO 0.13 0.04 1.35 -0.35 -0.92 0.00 0.00 175.35 175.60 2cm5 n PRO 586 N -0.54 1.63 0.00 -1.68 -0.04 -1.26 -1.60 135.00 131.51 2cm5 n PRO 586 Ca 0.06 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 2cm5 n PRO 586 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2cm5 n PRO 586 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cm5 n ASP 587 N -0.15 0.00 0.00 3.54 5.75 -0.91 -5.18 116.55 119.60 2cm5 n ASP 587 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 2cm5 n ASP 587 Cb 0.96 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 2cm5 n ASP 587 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2cm5 n LYS 591 N 0.00 0.00 0.10 0.11 0.00 -1.26 -4.85 118.16 112.26 2cm5 n LYS 591 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.43 2cm5 n LYS 591 Cb 0.00 -0.31 0.45 0.00 0.00 0.00 0.00 35.03 35.17 2cm5 n LYS 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2cm5 n ALA 592 N 0.00 1.92 -2.38 3.14 0.00 -1.26 -4.89 120.51 117.03 2cm5 n ALA 592 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2cm5 n ALA 592 Cb 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 17.90 2cm5 n ALA 592 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cm5 s LYS 593 N -3.19 1.67 0.13 0.00 1.02 -1.26 -1.25 119.74 116.86 2cm5 s LYS 593 Ca 0.07 -1.07 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 2cm5 s LYS 593 Cb 0.11 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2cm5 s LYS 593 CO 0.46 0.47 0.05 -1.01 -0.92 0.00 0.00 175.35 174.40 2cm5 s HIS 594 N -0.81 0.89 -0.04 3.18 3.76 -0.57 -5.00 115.29 116.70 2cm5 s HIS 594 Ca 0.11 -1.22 -0.11 0.00 -0.15 0.00 0.00 55.06 53.69 2cm5 s HIS 594 Cb -0.10 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.11 2cm5 s HIS 594 CO 0.02 -0.49 0.25 -1.59 -0.85 0.00 0.00 174.74 172.08 2cm5 s LYS 595 N -4.04 0.51 0.85 1.40 0.00 -1.26 -0.61 119.74 116.60 2cm5 s LYS 595 Ca 0.24 -0.08 -0.12 0.00 0.00 0.00 0.00 55.97 56.01 2cm5 s LYS 595 Cb 0.07 0.23 0.11 0.00 0.00 0.00 0.00 37.83 38.24 2cm5 s LYS 595 CO 0.02 -0.12 1.17 0.95 0.00 0.00 0.00 175.35 177.37 2cm5 s THR 596 N -0.90 2.00 1.02 3.79 -4.23 -0.04 -5.00 115.64 112.28 2cm5 s THR 596 Ca -0.10 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.30 2cm5 s THR 596 Cb -0.05 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 71.09 2cm5 s THR 596 CO 0.02 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.19 2cm5 s GLN 597 N -5.48 0.16 -0.19 3.99 -2.07 -1.26 -4.60 119.66 110.20 2cm5 s GLN 597 Ca 0.63 1.19 -0.17 0.00 -1.82 0.00 0.00 55.36 55.20 2cm5 s GLN 597 Cb -0.12 -1.65 -0.04 0.00 -1.09 0.00 0.00 33.01 30.11 2cm5 s GLN 597 CO 0.51 -3.10 0.45 0.42 -1.32 0.00 0.00 175.29 172.25 2cm5 s ILE 598 N -2.58 5.16 -0.12 3.63 1.01 -1.26 -4.43 121.20 122.62 2cm5 s ILE 598 Ca 0.67 0.82 -0.10 0.00 0.00 0.00 0.00 60.65 62.04 2cm5 s ILE 598 Cb -0.23 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 2cm5 s ILE 598 CO 0.61 0.23 0.21 -0.54 0.00 0.00 0.00 174.94 175.45 2cm5 s LYS 599 N 1.38 3.79 -0.03 2.79 -0.14 -0.42 -4.98 119.74 122.14 2cm5 s LYS 599 Ca 0.21 -0.01 -0.13 0.00 -1.36 0.00 0.00 55.97 54.68 2cm5 s LYS 599 Cb -0.15 -3.27 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 2cm5 s LYS 599 CO 0.09 0.59 0.36 0.15 -0.76 0.00 0.00 175.35 175.78 2cm5 s LYS 600 N -0.56 3.86 -1.04 1.68 3.01 -1.26 -2.30 119.74 123.12 2cm5 s LYS 600 Ca 0.16 0.31 -0.16 0.00 -1.01 0.00 0.00 55.97 55.27 2cm5 s LYS 600 Cb -0.13 -3.23 -0.01 0.00 -1.01 0.00 0.00 37.83 33.46 2cm5 s LYS 600 CO 0.05 0.68 0.76 0.36 0.51 0.00 0.00 175.35 177.70 2cm5 n LYS 601 N 1.96 -1.27 -3.64 1.68 -0.00 -0.97 -4.96 118.16 110.95 2cm5 n LYS 601 Ca -0.15 0.63 -0.15 0.00 -0.00 0.00 0.00 58.31 58.65 2cm5 n LYS 601 Cb 0.53 -4.08 -0.08 0.00 -0.00 0.00 0.00 35.03 31.40 2cm5 n LYS 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2cm5 s THR 602 N -3.34 0.01 -2.13 0.58 -1.32 -0.25 -4.89 115.64 104.29 2cm5 s THR 602 Ca 0.35 -0.04 0.23 0.00 -1.21 0.00 0.00 61.69 61.03 2cm5 s THR 602 Cb -0.13 -0.86 0.07 0.00 -1.51 0.00 0.00 72.50 70.07 2cm5 s THR 602 CO 0.85 -0.02 1.19 0.18 -2.21 0.00 0.00 174.62 174.61 2cm5 n LEU 603 N 2.23 2.00 -2.88 9.08 4.77 -1.26 -3.95 117.00 126.99 2cm5 n LEU 603 Ca -0.16 -0.71 -0.24 0.00 -0.03 0.00 0.00 56.01 54.88 2cm5 n LEU 603 Cb 0.56 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2cm5 n LEU 603 CO 0.12 0.37 0.05 0.59 -1.33 0.00 0.00 177.39 177.18 2cm5 n ASN 604 N 0.06 3.48 -4.76 -1.43 5.03 -1.26 -1.41 115.26 114.98 2cm5 n ASN 604 Ca 0.10 -3.46 -0.41 0.00 0.87 0.00 0.00 54.58 51.68 2cm5 n ASN 604 Cb 0.47 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.66 2cm5 n ASN 604 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2cm5 s PRO 605 N -3.23 4.27 -0.48 3.52 0.04 -1.17 -4.77 135.00 133.17 2cm5 s PRO 605 Ca 0.45 2.32 -0.12 0.00 0.04 0.00 0.00 61.00 63.70 2cm5 s PRO 605 Cb 0.33 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.90 2cm5 s PRO 605 CO -0.12 -0.38 0.37 -2.00 0.04 0.00 0.00 177.00 174.91 2cm5 s GLU 606 N -0.97 2.70 -0.21 4.56 2.56 -1.26 -1.83 118.70 124.25 2cm5 s GLU 606 Ca 0.56 -1.63 -0.18 0.00 0.00 0.00 0.00 54.97 53.72 2cm5 s GLU 606 Cb -0.42 -4.02 -0.14 0.00 2.00 0.00 0.00 34.13 31.55 2cm5 s GLU 606 CO 0.48 -1.16 0.02 1.19 -0.56 0.00 0.00 175.26 175.24 2cm5 n PHE 607 N 5.03 0.79 -3.97 5.30 3.72 -0.46 -5.01 117.46 122.87 2cm5 n PHE 607 Ca -0.10 0.34 -0.30 0.00 -0.05 0.00 0.00 57.45 57.34 2cm5 n PHE 607 Cb 0.41 -0.99 -0.01 0.00 -0.94 0.00 0.00 39.48 37.95 2cm5 n PHE 607 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2cm5 n ASN 608 N -4.44 -1.60 -4.33 4.37 3.02 -0.06 -4.97 115.26 107.25 2cm5 n ASN 608 Ca -0.30 -1.09 -0.31 0.00 -0.03 0.00 0.00 54.58 52.86 2cm5 n ASN 608 Cb 0.63 -2.73 -0.15 0.00 -0.61 0.00 0.00 39.78 36.91 2cm5 n ASN 608 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2cm5 s GLU 609 N -6.67 1.95 0.04 3.52 2.02 -0.76 -5.00 118.70 113.81 2cm5 s GLU 609 Ca 0.16 -1.02 0.09 0.00 0.02 0.00 0.00 54.97 54.21 2cm5 s GLU 609 Cb -0.07 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 2cm5 s GLU 609 CO 0.91 0.54 -0.25 -1.21 0.02 0.00 0.00 175.26 175.27 2cm5 s GLU 610 N -0.93 1.71 0.08 1.61 2.02 -1.26 -0.63 118.70 121.30 2cm5 s GLU 610 Ca 0.11 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 54.09 2cm5 s GLU 610 Cb -0.10 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 2cm5 s GLU 610 CO 0.01 0.48 -0.13 -0.06 0.02 0.00 0.00 175.26 175.57 2cm5 s PHE 611 N -0.79 1.22 -0.04 1.61 0.08 -0.08 -4.98 117.98 115.01 2cm5 s PHE 611 Ca 0.11 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.70 2cm5 s PHE 611 Cb -0.10 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 2cm5 s PHE 611 CO 0.02 0.06 -0.17 0.12 -0.10 0.00 0.00 175.22 175.15 2cm5 s PHE 612 N -1.59 1.68 -0.13 0.36 5.36 -1.26 -0.64 117.98 121.76 2cm5 s PHE 612 Ca 0.01 -0.45 0.02 0.00 -0.96 0.00 0.00 56.93 55.55 2cm5 s PHE 612 Cb -0.08 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.48 2cm5 s PHE 612 CO 0.02 -0.13 -0.20 0.71 -1.46 0.00 0.00 175.22 174.16 2cm5 s TYR 613 N -0.07 2.69 -0.16 10.12 2.02 -0.01 -4.99 117.35 126.95 2cm5 s TYR 613 Ca -0.01 -1.10 -0.29 0.00 -0.37 0.00 0.00 57.07 55.29 2cm5 s TYR 613 Cb -0.10 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2cm5 s TYR 613 CO 0.01 -0.48 1.41 -0.51 -1.57 0.00 0.00 175.55 174.41 2cm5 s ASP 614 N 0.64 6.78 -0.24 2.29 1.01 -1.26 -1.21 116.67 124.69 2cm5 s ASP 614 Ca -0.10 1.77 -0.27 0.00 0.71 0.00 0.00 52.55 54.67 2cm5 s ASP 614 Cb -0.16 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.35 2cm5 s ASP 614 CO 0.02 -0.89 0.97 -0.51 0.21 0.00 0.00 175.17 174.97 2cm5 s ILE 615 N 3.91 0.00 0.44 0.77 2.07 -1.13 -4.97 121.20 122.29 2cm5 s ILE 615 Ca 0.61 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.61 2cm5 s ILE 615 Cb -0.24 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.27 2cm5 s ILE 615 CO 0.21 0.00 1.21 -0.54 -1.91 0.00 0.00 174.94 173.90 2cm5 s LYS 616 N -0.16 3.85 0.15 3.50 1.02 -1.26 -4.00 119.74 122.84 2cm5 s LYS 616 Ca 0.01 1.90 -0.17 0.00 0.02 0.00 0.00 55.97 57.73 2cm5 s LYS 616 Cb -0.04 -2.55 0.05 0.00 -0.52 0.00 0.00 37.83 34.77 2cm5 s LYS 616 CO -0.03 -0.51 1.75 1.25 -0.92 0.00 0.00 175.35 176.89 2cm5 h HIS 617 N 2.32 0.19 0.00 3.18 -0.00 -1.98 -0.52 115.15 118.34 2cm5 h HIS 617 Ca -0.49 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 59.88 2cm5 h HIS 617 Cb 1.25 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.62 2cm5 h HIS 617 CO 0.53 0.08 -0.07 0.66 -0.00 0.00 0.00 177.93 179.13 2cm5 h SER 618 N 0.25 0.00 1.34 3.26 4.64 -1.97 -1.26 113.55 119.80 2cm5 h SER 618 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2cm5 h SER 618 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2cm5 h SER 618 CO -0.17 0.07 0.00 0.47 -0.87 0.00 0.00 176.83 176.33 2cm5 n ASP 619 N -3.70 0.76 0.33 4.97 8.00 -0.22 -1.98 116.55 124.71 2cm5 n ASP 619 Ca -0.02 0.59 0.21 0.00 0.71 0.00 0.00 54.79 56.27 2cm5 n ASP 619 Cb 0.17 -0.79 1.11 0.00 -0.02 0.00 0.00 41.12 41.59 2cm5 n ASP 619 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2cm5 h LEU 620 N 0.00 0.00 0.00 0.64 3.38 -1.07 -1.47 115.31 116.79 2cm5 h LEU 620 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cm5 h LEU 620 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2cm5 h LEU 620 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2cm5 n ALA 621 N -2.08 2.44 0.61 1.53 0.00 -0.84 -2.13 120.51 120.04 2cm5 n ALA 621 Ca -0.03 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2cm5 n ALA 621 Cb 0.14 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 2cm5 n ALA 621 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cm5 n LYS 622 N -0.97 1.88 -4.55 0.00 4.01 -0.55 -4.96 118.16 113.02 2cm5 n LYS 622 Ca 0.18 -0.68 -0.26 0.00 -0.51 0.00 0.00 58.31 57.04 2cm5 n LYS 622 Cb 0.08 -1.20 -0.11 0.00 -0.51 0.00 0.00 35.03 33.30 2cm5 n LYS 622 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2cm5 s LYS 623 N -1.73 1.82 -0.07 1.97 -0.14 -0.91 -4.59 119.74 116.10 2cm5 s LYS 623 Ca 0.11 -1.97 -0.07 0.00 -1.36 0.00 0.00 55.97 52.68 2cm5 s LYS 623 Cb 0.11 -1.59 0.02 0.00 -1.68 0.00 0.00 37.83 34.69 2cm5 s LYS 623 CO 0.36 0.06 0.20 0.45 -0.76 0.00 0.00 175.35 175.66 2cm5 s SER 624 N -3.61 -0.19 -0.36 2.83 0.15 -0.63 -2.69 113.70 109.20 2cm5 s SER 624 Ca 0.33 0.35 -0.13 0.00 0.70 0.00 0.00 55.95 57.20 2cm5 s SER 624 Cb 0.05 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2cm5 s SER 624 CO 0.16 -0.10 0.25 -0.22 1.20 0.00 0.00 173.24 174.53 2cm5 s LEU 625 N -0.05 4.69 -0.22 3.45 2.96 0.38 -0.28 118.68 129.61 2cm5 s LEU 625 Ca -0.02 -0.61 -0.22 0.00 -0.22 0.00 0.00 54.13 53.06 2cm5 s LEU 625 Cb -0.02 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2cm5 s LEU 625 CO 0.00 -0.31 0.69 -0.62 -1.32 0.00 0.00 176.35 174.80 2cm5 s ASP 626 N 1.69 6.72 -0.18 3.68 -1.08 0.31 -0.91 116.67 126.89 2cm5 s ASP 626 Ca 0.05 0.88 -0.00 0.00 -0.52 0.00 0.00 52.55 52.96 2cm5 s ASP 626 Cb -0.18 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2cm5 s ASP 626 CO 0.10 -0.37 -0.14 -0.63 0.52 0.00 0.00 175.17 174.65 2cm5 s ILE 627 N 2.30 2.61 0.00 4.11 1.01 -0.31 -1.15 121.20 129.77 2cm5 s ILE 627 Ca 0.30 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2cm5 s ILE 627 Cb -0.16 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2cm5 s ILE 627 CO 0.09 0.50 -0.12 -0.94 0.00 0.00 0.00 174.94 174.48 2cm5 s SER 628 N 1.15 1.41 -0.12 3.58 1.04 -0.53 -0.84 113.70 119.38 2cm5 s SER 628 Ca 0.01 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.17 2cm5 s SER 628 Cb -0.14 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 2cm5 s SER 628 CO -0.06 0.11 -0.15 -0.69 0.98 0.00 0.00 173.24 173.43 2cm5 s VAL 629 N -0.43 2.88 0.08 5.02 1.01 0.59 -0.64 120.40 128.91 2cm5 s VAL 629 Ca 0.03 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2cm5 s VAL 629 Cb -0.05 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2cm5 s VAL 629 CO -0.00 0.53 -0.18 0.26 0.00 0.00 0.00 175.10 175.71 2cm5 s TRP 630 N 0.32 1.57 -0.36 5.22 0.52 -0.10 -0.59 118.94 125.52 2cm5 s TRP 630 Ca -0.12 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.48 2cm5 s TRP 630 Cb -0.16 -0.88 0.02 0.00 -1.15 0.00 0.00 33.47 31.30 2cm5 s TRP 630 CO 0.06 0.13 0.19 0.34 0.02 0.00 0.00 176.95 177.70 2cm5 s ASP 631 N -1.72 5.68 0.14 2.95 2.15 0.12 -1.30 116.67 124.70 2cm5 s ASP 631 Ca 0.04 -0.87 -0.31 0.00 0.43 0.00 0.00 52.55 51.83 2cm5 s ASP 631 Cb -0.10 -2.02 -0.09 0.00 -0.30 0.00 0.00 42.92 40.41 2cm5 s ASP 631 CO 0.03 -0.34 1.51 -0.47 -0.17 0.00 0.00 175.17 175.73 2cm5 s TYR 632 N 1.57 3.11 0.04 -5.34 5.04 -0.14 -1.42 117.35 120.21 2cm5 s TYR 632 Ca 0.03 0.73 0.07 0.00 -2.44 0.00 0.00 57.07 55.46 2cm5 s TYR 632 Cb -0.19 -3.84 -0.02 0.00 0.35 0.00 0.00 41.96 38.26 2cm5 s TYR 632 CO 0.07 -3.06 -0.21 -0.51 -1.34 0.00 0.00 175.55 170.49 2cm5 s ASP 633 N 1.16 2.50 0.14 4.32 1.01 -1.26 -4.48 116.67 120.04 2cm5 s ASP 633 Ca 0.68 -0.51 0.12 0.00 0.71 0.00 0.00 52.55 53.56 2cm5 s ASP 633 Cb -0.41 -0.22 -0.11 0.00 1.01 0.00 0.00 42.92 43.19 2cm5 s ASP 633 CO 0.31 0.18 1.16 0.40 0.21 0.00 0.00 175.17 177.42 2cm5 h ILE 634 N 4.38 1.07 0.00 0.77 2.04 -1.95 -3.39 117.51 120.43 2cm5 h ILE 634 Ca -0.42 -2.64 -0.00 0.00 1.00 0.00 0.00 64.86 62.79 2cm5 h ILE 634 Cb 1.16 2.49 -0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2cm5 h ILE 634 CO 0.44 0.61 -0.18 0.61 0.00 0.00 0.00 178.15 179.63 2cm5 n GLY 635 N 1.35 3.47 3.80 5.37 0.00 -1.26 -5.05 105.19 112.87 2cm5 n GLY 635 Ca -0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 2cm5 n GLY 635 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cm5 s LYS 636 N -1.95 1.37 0.61 1.61 -2.85 -1.26 -5.06 119.74 112.21 2cm5 s LYS 636 Ca 0.22 -0.80 -0.19 0.00 -1.00 0.00 0.00 55.97 54.19 2cm5 s LYS 636 Cb 0.20 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.37 2cm5 s LYS 636 CO 0.02 -0.63 1.32 0.43 0.10 0.00 0.00 175.35 176.59 2cm5 n SER 637 N -0.73 2.34 -4.77 0.03 7.64 -1.26 -4.50 113.62 112.37 2cm5 n SER 637 Ca -0.05 0.89 -0.38 0.00 1.01 0.00 0.00 58.87 60.34 2cm5 n SER 637 Cb 0.60 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2cm5 n SER 637 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2cm5 s ASN 638 N -1.19 6.05 0.03 6.43 0.01 -1.26 -4.67 114.94 120.34 2cm5 s ASN 638 Ca 0.78 2.49 -0.20 0.00 -0.71 0.00 0.00 52.86 55.22 2cm5 s ASN 638 Cb -0.39 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 38.59 2cm5 s ASN 638 CO 0.44 -1.01 0.57 -1.81 -1.51 0.00 0.00 177.10 173.77 2cm5 s ASP 639 N -1.11 7.01 -0.09 -1.22 1.01 -0.51 -4.89 116.67 116.87 2cm5 s ASP 639 Ca 0.63 1.19 -0.30 0.00 0.71 0.00 0.00 52.55 54.79 2cm5 s ASP 639 Cb -0.33 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 2cm5 s ASP 639 CO 0.41 0.20 1.06 -0.47 0.21 0.00 0.00 175.17 176.58 2cm5 s TYR 640 N -0.67 3.43 -0.17 4.23 5.04 -1.26 0.16 117.35 128.10 2cm5 s TYR 640 Ca 0.29 1.49 -0.15 0.00 -2.44 0.00 0.00 57.07 56.27 2cm5 s TYR 640 Cb -0.19 -3.25 -0.11 0.00 0.35 0.00 0.00 41.96 38.76 2cm5 s TYR 640 CO 0.18 -0.51 0.03 0.82 -1.34 0.00 0.00 175.55 174.72 2cm5 h ILE 641 N 5.07 0.46 0.00 3.14 2.04 -1.18 -3.47 117.51 123.57 2cm5 h ILE 641 Ca -0.32 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 63.97 2cm5 h ILE 641 Cb 1.15 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2cm5 h ILE 641 CO 0.86 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.78 2cm5 n GLY 642 N 1.53 -0.95 3.59 5.37 0.00 -1.05 -4.79 105.19 108.89 2cm5 n GLY 642 Ca -0.19 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 2cm5 n GLY 642 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cm5 s GLY 643 N 0.00 0.33 0.01 -0.02 0.00 -0.02 -0.30 107.32 107.32 2cm5 s GLY 643 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 2cm5 s GLY 643 CO 0.00 -0.50 0.50 0.00 0.00 0.00 0.00 173.10 173.10 2cm5 s GLN 645 N -1.98 3.84 -0.25 0.00 -1.52 -1.26 -1.16 119.66 117.33 2cm5 s GLN 645 Ca -0.08 -0.39 0.03 0.00 -1.95 0.00 0.00 55.36 52.97 2cm5 s GLN 645 Cb -0.01 -3.11 0.06 0.00 -0.22 0.00 0.00 33.01 29.72 2cm5 s GLN 645 CO 0.02 0.30 -0.12 -0.51 -0.25 0.00 0.00 175.29 174.73 2cm5 s LEU 646 N 0.26 3.31 0.00 2.90 1.43 -0.09 -4.76 118.68 121.73 2cm5 s LEU 646 Ca 0.02 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 2cm5 s LEU 646 Cb -0.13 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2cm5 s LEU 646 CO 0.01 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2cm5 n GLY 647 N 4.45 -1.16 0.22 -3.19 0.00 -1.26 -0.47 105.19 103.79 2cm5 n GLY 647 Ca -0.15 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 44.75 2cm5 n GLY 647 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2cm5 h ILE 648 N 0.00 0.00 -0.56 -0.61 3.07 -1.84 -1.84 117.51 115.73 2cm5 h ILE 648 Ca 0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 2cm5 h ILE 648 Cb 0.00 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.70 2cm5 h ILE 648 CO 0.00 0.00 0.00 -1.20 -1.05 0.00 0.00 178.15 175.90 2cm5 n SER 649 N -2.68 4.20 -4.17 2.16 7.64 -1.26 -4.96 113.62 114.55 2cm5 n SER 649 Ca 0.01 -2.36 -0.29 0.00 1.01 0.00 0.00 58.87 57.24 2cm5 n SER 649 Cb 0.23 -0.50 0.18 0.00 -1.01 0.00 0.00 64.21 63.11 2cm5 n SER 649 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cm5 s ALA 650 N -1.67 2.52 0.21 -0.43 0.00 -0.69 -5.08 121.76 116.61 2cm5 s ALA 650 Ca 0.45 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 51.08 2cm5 s ALA 650 Cb 0.28 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2cm5 s ALA 650 CO 0.22 -2.31 -0.08 0.15 0.00 0.00 0.00 175.76 173.74 2cm5 s LYS 651 N -5.76 1.30 5.68 0.00 1.02 -1.26 -4.66 119.74 116.06 2cm5 s LYS 651 Ca 0.74 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 55.12 2cm5 s LYS 651 Cb -0.03 -0.86 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 2cm5 s LYS 651 CO 0.52 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.41 2cm5 n GLY 652 N -0.38 2.66 0.23 -3.33 0.00 -1.26 -2.81 105.19 100.30 2cm5 n GLY 652 Ca -0.07 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.59 2cm5 n GLY 652 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2cm5 h GLU 653 N 0.00 0.00 -0.45 1.61 4.11 -1.99 -1.55 114.58 116.31 2cm5 h GLU 653 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 2cm5 h GLU 653 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2cm5 h GLU 653 CO 0.00 0.19 0.03 0.00 0.07 0.00 0.00 179.01 179.30 2cm5 h ARG 654 N 0.00 0.77 -0.15 1.06 3.08 -1.85 -1.13 114.38 116.16 2cm5 h ARG 654 Ca -0.00 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 2cm5 h ARG 654 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2cm5 h ARG 654 CO 0.03 0.82 0.07 1.25 -1.07 0.00 0.00 179.97 181.07 2cm5 h LEU 655 N 0.62 0.20 -0.97 3.04 5.85 -1.25 -3.11 115.31 119.69 2cm5 h LEU 655 Ca 0.13 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2cm5 h LEU 655 Cb 0.45 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2cm5 h LEU 655 CO 0.02 0.27 0.64 0.11 -0.34 0.00 0.00 178.44 179.14 2cm5 h LYS 656 N 0.12 1.25 -0.46 1.25 6.56 -1.14 -0.92 116.57 123.24 2cm5 h LYS 656 Ca 0.05 -0.08 0.06 0.00 -1.06 0.00 0.00 60.65 59.63 2cm5 h LYS 656 Cb 0.12 -0.28 -0.05 0.00 -0.57 0.00 0.00 32.23 31.45 2cm5 h LYS 656 CO -0.01 0.83 0.16 1.25 -2.06 0.00 0.00 179.45 179.63 2cm5 h HIS 657 N 1.29 0.29 -0.48 -1.35 -0.00 -1.20 0.32 115.15 114.02 2cm5 h HIS 657 Ca 0.37 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.78 2cm5 h HIS 657 Cb -0.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 2cm5 h HIS 657 CO -0.00 0.11 0.29 2.35 -0.00 0.00 0.00 177.93 180.67 2cm5 h TRP 658 N 0.34 0.53 -0.37 5.26 2.91 -1.34 -2.52 115.95 120.76 2cm5 h TRP 658 Ca 0.21 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.21 2cm5 h TRP 658 Cb 0.21 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 2cm5 h TRP 658 CO -0.15 0.31 0.05 1.88 -1.03 0.00 0.00 178.44 179.49 2cm5 h TYR 659 N 0.57 0.57 -0.37 2.65 0.05 -0.60 -1.08 116.97 118.75 2cm5 h TYR 659 Ca 0.19 -0.05 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 2cm5 h TYR 659 Cb 0.02 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 2cm5 h TYR 659 CO -0.07 0.52 -0.26 0.93 -1.05 0.00 0.00 178.16 178.23 2cm5 h GLU 660 N 0.54 0.76 -0.21 4.88 4.39 -0.60 0.14 114.58 124.47 2cm5 h GLU 660 Ca 0.12 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2cm5 h GLU 660 Cb 0.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2cm5 h GLU 660 CO 0.00 0.94 0.11 0.00 -1.16 0.00 0.00 179.01 178.90 2cm5 h LEU 662 N 0.22 0.96 -0.03 0.00 3.38 -0.82 -2.70 115.31 116.31 2cm5 h LEU 662 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2cm5 h LEU 662 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2cm5 h LEU 662 CO -0.01 0.63 0.00 0.29 0.09 0.00 0.00 178.44 179.44 2cm5 n LYS 663 N -4.54 0.25 -3.60 1.13 5.02 0.45 -4.60 118.16 112.27 2cm5 n LYS 663 Ca 0.13 0.22 -0.28 0.00 -2.02 0.00 0.00 58.31 56.36 2cm5 n LYS 663 Cb 0.14 -1.80 -0.11 0.00 -0.02 0.00 0.00 35.03 33.24 2cm5 n LYS 663 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2cm5 s ASN 664 N -4.47 2.89 0.49 4.39 -0.87 -0.84 -5.08 114.94 111.46 2cm5 s ASN 664 Ca 0.10 -3.16 -0.24 0.00 -1.57 0.00 0.00 52.86 47.99 2cm5 s ASN 664 Cb 0.12 -0.88 -0.07 0.00 -0.02 0.00 0.00 41.25 40.40 2cm5 s ASN 664 CO 0.59 -0.17 1.41 -0.54 -2.57 0.00 0.00 177.10 175.82 2cm5 s LYS 665 N -0.26 3.48 -1.68 -0.60 1.02 -1.26 -3.00 119.74 117.45 2cm5 s LYS 665 Ca 0.27 2.38 0.00 0.00 0.02 0.00 0.00 55.97 58.64 2cm5 s LYS 665 Cb -0.05 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2cm5 s LYS 665 CO -0.14 -0.97 0.00 -0.25 -0.92 0.00 0.00 175.35 173.07 2cm5 n ASP 666 N -0.49 -4.92 -4.51 2.83 8.00 0.47 -4.99 116.55 112.93 2cm5 n ASP 666 Ca 0.07 0.37 -0.33 0.00 0.71 0.00 0.00 54.79 55.60 2cm5 n ASP 666 Cb 0.43 -3.85 -0.12 0.00 -0.02 0.00 0.00 41.12 37.56 2cm5 n ASP 666 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2cm5 s LYS 667 N -3.46 2.87 -0.33 -1.24 1.02 -1.16 -5.02 119.74 112.41 2cm5 s LYS 667 Ca 0.00 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.13 2cm5 s LYS 667 Cb 0.00 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2cm5 s LYS 667 CO 0.00 0.54 0.86 0.21 -0.92 0.00 0.00 175.35 176.05 2cm5 s LYS 668 N -0.49 3.94 -0.34 1.68 2.20 -1.26 -4.41 119.74 121.05 2cm5 s LYS 668 Ca 0.07 0.64 -0.09 0.00 -0.36 0.00 0.00 55.97 56.23 2cm5 s LYS 668 Cb -0.12 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 2cm5 s LYS 668 CO 0.02 -0.79 0.15 0.42 -0.36 0.00 0.00 175.35 174.80 2cm5 s ILE 669 N 3.19 4.33 -0.15 5.43 -1.09 0.47 -4.94 121.20 128.43 2cm5 s ILE 669 Ca 0.36 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 2cm5 s ILE 669 Cb -0.13 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2cm5 s ILE 669 CO 0.15 -0.11 -0.13 -0.70 -1.23 0.00 0.00 174.94 172.92 2cm5 s GLU 670 N 1.53 3.32 0.02 2.79 2.12 -1.26 -0.80 118.70 126.41 2cm5 s GLU 670 Ca 0.02 -0.70 -0.05 0.00 0.36 0.00 0.00 54.97 54.60 2cm5 s GLU 670 Cb -0.18 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 2cm5 s GLU 670 CO 0.05 0.07 0.08 1.03 -0.54 0.00 0.00 175.26 175.95 2cm5 s ARG 671 N 0.70 0.45 0.08 4.30 1.81 -0.42 -4.99 118.95 120.89 2cm5 s ARG 671 Ca -0.06 -0.54 -0.23 0.00 -1.72 0.00 0.00 55.73 53.18 2cm5 s ARG 671 Cb -0.15 0.18 -0.07 0.00 -0.45 0.00 0.00 34.95 34.46 2cm5 s ARG 671 CO 0.02 -0.10 0.70 -1.58 -0.68 0.00 0.00 175.30 173.66 2cm5 s TRP 672 N -1.67 3.80 0.05 -0.53 0.52 -1.26 -1.72 118.94 118.13 2cm5 s TRP 672 Ca -0.13 1.44 0.05 0.00 0.02 0.00 0.00 56.10 57.48 2cm5 s TRP 672 Cb -0.07 -2.70 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 2cm5 s TRP 672 CO -0.00 0.43 -0.14 -1.01 0.02 0.00 0.00 176.95 176.25 2cm5 s HIS 673 N -0.67 1.24 -0.07 -1.98 3.76 0.15 -4.96 115.29 112.75 2cm5 s HIS 673 Ca 0.34 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.57 2cm5 s HIS 673 Cb -0.21 -0.72 -0.02 0.00 1.11 0.00 0.00 32.58 32.74 2cm5 s HIS 673 CO 0.22 0.05 0.98 -1.14 -0.85 0.00 0.00 174.74 174.00 2cm5 s GLN 674 N -1.36 4.46 0.26 1.40 2.00 -1.26 -1.06 119.66 124.10 2cm5 s GLN 674 Ca 0.00 1.37 -0.30 0.00 -2.00 0.00 0.00 55.36 54.44 2cm5 s GLN 674 Cb -0.09 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 30.12 2cm5 s GLN 674 CO 0.02 -0.22 1.07 -0.51 -0.50 0.00 0.00 175.29 175.14 2cm5 s LEU 675 N 1.68 4.56 0.19 3.68 1.43 -0.48 -4.78 118.68 124.96 2cm5 s LEU 675 Ca 0.49 2.20 0.08 0.00 -1.03 0.00 0.00 54.13 55.87 2cm5 s LEU 675 Cb -0.19 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 2cm5 s LEU 675 CO 0.21 -0.09 -0.05 -1.10 0.23 0.00 0.00 176.35 175.54 2cm5 s GLN 676 N -1.30 2.21 0.00 1.70 -1.52 -0.09 -4.53 119.66 116.12 2cm5 s GLN 676 Ca 0.44 -1.24 0.28 0.00 -1.95 0.00 0.00 55.36 52.90 2cm5 s GLN 676 Cb -0.31 -2.22 1.13 0.00 -0.22 0.00 0.00 33.01 31.39 2cm5 s GLN 676 CO 0.39 0.43 1.79 0.09 -0.25 0.00 0.00 175.29 177.74