#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k85 n MET 558 N 0.00 0.00 -2.49 1.57 0.00 -1.26 -5.01 117.12 109.93 1k85 n MET 558 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 1k85 n MET 558 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k85 s ALA 559 N -4.92 3.12 0.81 3.04 0.00 -1.26 -4.80 121.76 117.75 1k85 s ALA 559 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1k85 s ALA 559 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1k85 s ALA 559 CO 0.00 -0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.14 1k85 n PRO 560 N 0.05 2.87 -4.96 0.00 -0.04 -1.26 -4.92 135.00 126.74 1k85 n PRO 560 Ca 0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 1k85 n PRO 560 Cb 0.49 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.78 1k85 n PRO 560 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1k85 s THR 561 N 0.00 2.23 0.17 0.52 -4.23 -1.26 -4.66 115.64 108.41 1k85 s THR 561 Ca 0.00 -0.95 -0.32 0.00 -1.18 0.00 0.00 61.69 59.25 1k85 s THR 561 Cb 0.00 -1.88 -0.11 0.00 1.34 0.00 0.00 72.50 71.86 1k85 s THR 561 CO 0.00 0.55 1.68 0.00 -0.54 0.00 0.00 174.62 176.31 1k85 s ALA 562 N 0.51 3.83 0.41 3.99 0.00 -1.26 -4.55 121.76 124.69 1k85 s ALA 562 Ca -0.14 1.45 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 1k85 s ALA 562 Cb -0.17 -3.68 -0.13 0.00 0.00 0.00 0.00 23.12 19.14 1k85 s ALA 562 CO 0.05 -0.94 0.47 -2.30 0.00 0.00 0.00 175.76 173.04 1k85 n PRO 563 N 4.42 0.47 -4.29 0.00 -0.02 -1.26 -4.89 135.00 129.43 1k85 n PRO 563 Ca 0.15 0.17 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 1k85 n PRO 563 Cb 0.37 -1.41 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 1k85 n PRO 563 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1k85 s THR 564 N -1.49 1.53 -1.07 3.45 -4.23 -1.22 -4.26 115.64 108.35 1k85 s THR 564 Ca 0.63 -1.89 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 1k85 s THR 564 Cb -0.62 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1k85 s THR 564 CO 0.59 -0.44 0.85 -3.20 -0.54 0.00 0.00 174.62 171.87 1k85 n ASN 565 N 0.25 -6.11 -4.86 3.99 2.85 -1.26 -1.86 115.26 108.26 1k85 n ASN 565 Ca -0.13 -0.82 -0.31 0.00 -0.11 0.00 0.00 54.58 53.21 1k85 n ASN 565 Cb 0.58 -4.33 0.00 0.00 1.24 0.00 0.00 39.78 37.27 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1k85 s LEU 566 N -5.79 3.34 0.30 1.20 2.96 -1.26 -3.84 118.68 115.59 1k85 s LEU 566 Ca 0.43 1.49 -0.19 0.00 -0.22 0.00 0.00 54.13 55.65 1k85 s LEU 566 Cb -0.11 -4.49 0.05 0.00 0.50 0.00 0.00 46.19 42.15 1k85 s LEU 566 CO 0.80 -0.86 0.82 0.00 -1.32 0.00 0.00 176.35 175.78 1k85 s ALA 567 N -2.99 -1.09 -0.08 5.97 0.00 0.00 -4.97 121.76 118.60 1k85 s ALA 567 Ca 0.57 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1k85 s ALA 567 Cb -0.11 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.76 1k85 s ALA 567 CO 0.47 -1.02 -0.14 -1.54 0.00 0.00 0.00 175.76 173.53 1k85 s SER 568 N -3.05 2.07 0.00 0.00 1.04 -1.26 -1.68 113.70 110.82 1k85 s SER 568 Ca 0.14 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1k85 s SER 568 Cb -0.05 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1k85 s SER 568 CO 0.08 0.04 0.00 0.35 0.98 0.00 0.00 173.24 174.70 1k85 n THR 569 N 3.87 0.00 -3.16 2.02 -2.24 -0.94 -4.95 114.28 108.88 1k85 n THR 569 Ca -0.21 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1k85 n THR 569 Cb 0.52 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 1k85 n THR 569 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 570 N -4.53 3.37 -0.27 6.98 0.00 -1.25 -4.94 121.76 121.12 1k85 s ALA 570 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 1k85 s ALA 570 Cb 0.00 -2.74 0.08 0.00 0.00 0.00 0.00 23.12 20.46 1k85 s ALA 570 CO 0.00 0.35 0.73 -1.14 0.00 0.00 0.00 175.76 175.70 1k85 s GLN 571 N -2.76 0.78 0.00 0.00 -0.44 -1.26 -0.55 119.66 115.43 1k85 s GLN 571 Ca 0.51 1.05 0.00 0.00 -2.50 0.00 0.00 55.36 54.42 1k85 s GLN 571 Cb -0.12 0.32 0.00 0.00 -1.64 0.00 0.00 33.01 31.57 1k85 s GLN 571 CO 0.18 -0.11 0.00 0.25 0.50 0.00 0.00 175.29 176.11 1k85 n THR 572 N 3.19 0.00 -0.48 -0.34 -2.24 0.51 -4.99 114.28 109.94 1k85 n THR 572 Ca -0.16 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.66 1k85 n THR 572 Cb 0.56 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 69.09 1k85 n THR 572 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k85 n THR 573 N 0.00 2.17 0.00 4.28 -2.24 -1.26 -4.53 114.28 112.71 1k85 n THR 573 Ca 0.00 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1k85 n THR 573 Cb 0.00 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1k85 n THR 573 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k85 n SER 574 N 0.39 0.00 -4.70 3.42 3.41 -1.25 -4.39 113.62 110.51 1k85 n SER 574 Ca 0.23 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.59 1k85 n SER 574 Cb 1.01 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 1k85 n SER 574 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k85 s SER 575 N -1.15 4.94 -0.27 4.04 1.04 -1.25 -0.95 113.70 120.11 1k85 s SER 575 Ca 0.00 -0.37 -0.20 0.00 0.48 0.00 0.00 55.95 55.87 1k85 s SER 575 Cb 0.00 -1.10 0.07 0.00 0.10 0.00 0.00 66.02 65.09 1k85 s SER 575 CO 0.00 0.06 0.68 -0.51 0.98 0.00 0.00 173.24 174.45 1k85 s ILE 576 N -1.85 -0.00 -0.07 -1.02 2.07 -0.48 -0.36 121.20 119.49 1k85 s ILE 576 Ca 0.29 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.51 1k85 s ILE 576 Cb -0.09 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 1k85 s ILE 576 CO 0.20 0.00 0.06 -0.89 -1.91 0.00 0.00 174.94 172.40 1k85 s THR 577 N 1.00 4.73 0.06 4.00 2.01 0.29 -1.35 115.64 126.37 1k85 s THR 577 Ca -0.05 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.84 1k85 s THR 577 Cb -0.05 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1k85 s THR 577 CO -0.09 0.53 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.39 1k85 s LEU 578 N -1.19 2.20 -0.06 4.42 1.43 -1.01 -2.22 118.68 122.26 1k85 s LEU 578 Ca 0.17 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1k85 s LEU 578 Cb -0.12 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1k85 s LEU 578 CO 0.06 0.16 -0.05 -0.94 0.23 0.00 0.00 176.35 175.81 1k85 s SER 579 N -1.38 1.28 0.22 2.29 1.04 -0.67 -1.90 113.70 114.58 1k85 s SER 579 Ca 0.08 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1k85 s SER 579 Cb -0.09 -0.53 -0.05 0.00 0.10 0.00 0.00 66.02 65.45 1k85 s SER 579 CO 0.03 -0.07 0.11 -1.66 0.98 0.00 0.00 173.24 172.62 1k85 s TRP 580 N 1.13 1.33 0.08 5.02 -2.14 -1.11 -0.82 118.94 122.43 1k85 s TRP 580 Ca -0.07 -1.27 -0.22 0.00 2.66 0.00 0.00 56.10 57.20 1k85 s TRP 580 Cb -0.14 -0.72 -0.07 0.00 -3.10 0.00 0.00 33.47 29.44 1k85 s TRP 580 CO -0.01 -0.48 0.66 0.99 -2.66 0.00 0.00 176.95 175.45 1k85 s THR 581 N -3.95 4.67 1.11 0.66 2.01 -0.78 -4.87 115.64 114.49 1k85 s THR 581 Ca 0.37 1.42 -0.12 0.00 0.31 0.00 0.00 61.69 63.67 1k85 s THR 581 Cb 0.07 -4.00 0.25 0.00 0.01 0.00 0.00 72.50 68.83 1k85 s THR 581 CO 0.12 0.49 1.03 0.00 -0.69 0.00 0.00 174.62 175.57 1k85 n ALA 582 N 2.07 -2.38 1.11 7.40 0.00 -1.26 -3.45 120.51 124.00 1k85 n ALA 582 Ca -0.07 -1.02 0.10 0.00 0.00 0.00 0.00 53.44 52.46 1k85 n ALA 582 Cb 0.50 -2.04 0.56 0.00 0.00 0.00 0.00 19.45 18.47 1k85 n ALA 582 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k85 n SER 583 N -4.70 0.00 -1.00 0.00 3.41 -1.26 -4.61 113.62 105.45 1k85 n SER 583 Ca 0.05 -0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 1k85 n SER 583 Cb 0.53 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1k85 n SER 583 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1k85 n THR 584 N -1.18 0.00 -3.01 6.66 -1.04 -1.26 -4.69 114.28 109.76 1k85 n THR 584 Ca 0.12 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.96 1k85 n THR 584 Cb 0.13 -1.57 -0.01 0.00 -1.82 0.00 0.00 70.33 67.05 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k85 n ASP 585 N -1.15 -0.99 -0.89 8.00 9.92 -1.26 -4.96 116.55 125.21 1k85 n ASP 585 Ca -0.13 -3.01 -0.01 0.00 -0.53 0.00 0.00 54.79 51.11 1k85 n ASP 585 Cb 0.60 0.40 0.03 0.00 -0.64 0.00 0.00 41.12 41.50 1k85 n ASP 585 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1k85 n ASN 586 N 1.29 2.32 0.30 -2.24 2.04 -1.26 -4.13 115.26 113.58 1k85 n ASN 586 Ca 0.16 -2.13 0.20 0.00 -0.44 0.00 0.00 54.58 52.38 1k85 n ASN 586 Cb 0.59 -0.53 1.05 0.00 -2.53 0.00 0.00 39.78 38.36 1k85 n ASN 586 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 1k85 h VAL 587 N 0.24 0.00 0.00 3.53 3.04 -2.00 -3.31 116.25 117.75 1k85 h VAL 587 Ca 0.03 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1k85 h VAL 587 Cb 0.93 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1k85 h VAL 587 CO 0.08 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.25 1k85 n GLY 588 N -0.89 0.52 3.77 3.17 0.00 -1.26 -5.08 105.19 105.42 1k85 n GLY 588 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1k85 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k85 s VAL 589 N 0.00 2.66 0.00 1.61 1.01 -1.25 -1.35 120.40 123.08 1k85 s VAL 589 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1k85 s VAL 589 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1k85 s VAL 589 CO 0.00 0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.49 1k85 n THR 590 N -0.23 0.00 -4.12 3.92 -2.24 -0.72 -4.84 114.28 106.05 1k85 n THR 590 Ca 0.06 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 1k85 n THR 590 Cb 0.45 -1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 1k85 n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 591 N 2.77 3.45 3.16 3.38 0.00 -1.25 -4.75 105.19 111.95 1k85 n GLY 591 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 1k85 n GLY 591 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k85 s TYR 592 N -2.72 0.98 -0.04 1.61 1.51 -0.51 -2.60 117.35 115.58 1k85 s TYR 592 Ca 0.19 -0.66 0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1k85 s TYR 592 Cb 0.01 -0.55 -0.01 0.00 -0.11 0.00 0.00 41.96 41.30 1k85 s TYR 592 CO 0.13 -0.03 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.80 1k85 s ASP 593 N -2.35 2.80 -0.19 2.29 1.01 -0.23 -1.94 116.67 118.05 1k85 s ASP 593 Ca 0.03 -0.45 -0.07 0.00 0.71 0.00 0.00 52.55 52.77 1k85 s ASP 593 Cb -0.03 -0.54 -0.04 0.00 1.01 0.00 0.00 42.92 43.32 1k85 s ASP 593 CO -0.00 0.26 0.06 -0.69 0.21 0.00 0.00 175.17 175.00 1k85 s VAL 594 N -0.34 4.70 -0.21 -1.27 1.01 -1.08 -0.42 120.40 122.78 1k85 s VAL 594 Ca 0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 1k85 s VAL 594 Cb -0.11 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1k85 s VAL 594 CO 0.01 0.44 0.11 -0.31 0.00 0.00 0.00 175.10 175.35 1k85 s TYR 595 N 0.56 3.27 -1.00 5.22 2.02 -0.25 -0.94 117.35 126.23 1k85 s TYR 595 Ca 0.03 0.10 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 1k85 s TYR 595 Cb -0.13 -2.18 0.24 0.00 -0.40 0.00 0.00 41.96 39.50 1k85 s TYR 595 CO 0.01 0.07 1.00 0.54 -1.57 0.00 0.00 175.55 175.60 1k85 s ASN 596 N 0.78 7.07 0.00 2.29 4.22 0.39 -1.74 114.94 127.96 1k85 s ASN 596 Ca 0.06 -3.16 0.00 0.00 -2.14 0.00 0.00 52.86 47.61 1k85 s ASN 596 Cb -0.13 -2.23 0.00 0.00 1.28 0.00 0.00 41.25 40.17 1k85 s ASN 596 CO 0.02 -0.45 0.00 0.61 -2.04 0.00 0.00 177.10 175.24 1k85 n GLY 597 N 3.36 2.22 0.00 0.45 0.00 -0.69 -3.07 105.19 107.46 1k85 n GLY 597 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1k85 n GLY 597 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 598 N 0.00 0.00 -4.65 2.61 -2.24 -1.26 -5.02 114.28 103.72 1k85 n THR 598 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1k85 n THR 598 Cb 0.00 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.18 1k85 n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 599 N 0.00 3.43 -0.27 6.98 0.00 -1.18 -5.12 121.76 125.61 1k85 s ALA 599 Ca 0.00 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 1k85 s ALA 599 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1k85 s ALA 599 CO 0.00 -0.12 0.61 -1.17 0.00 0.00 0.00 175.76 175.08 1k85 s LEU 600 N -3.74 4.09 0.00 0.00 1.98 -1.26 -0.47 118.68 119.28 1k85 s LEU 600 Ca 0.23 0.59 0.00 0.00 -2.89 0.00 0.00 54.13 52.05 1k85 s LEU 600 Cb 0.06 -2.81 0.00 0.00 0.66 0.00 0.00 46.19 44.10 1k85 s LEU 600 CO 0.12 -0.39 0.00 0.00 -1.89 0.00 0.00 176.35 174.18 1k85 n ALA 601 N 5.74 0.00 -1.97 5.97 0.00 -0.11 -4.85 120.51 125.28 1k85 n ALA 601 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1k85 n ALA 601 Cb 0.49 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.02 1k85 n ALA 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1k85 s THR 602 N 0.92 2.35 -0.05 0.00 -1.32 -1.25 -4.95 115.64 111.33 1k85 s THR 602 Ca 0.00 -0.53 -0.02 0.00 -1.21 0.00 0.00 61.69 59.93 1k85 s THR 602 Cb 0.00 -2.81 0.03 0.00 -1.51 0.00 0.00 72.50 68.21 1k85 s THR 602 CO 0.00 0.00 0.05 -0.89 -2.21 0.00 0.00 174.62 171.57 1k85 s THR 603 N -3.06 -0.06 0.14 5.08 2.01 -1.26 -2.65 115.64 115.85 1k85 s THR 603 Ca 0.62 0.38 0.00 0.00 0.31 0.00 0.00 61.69 63.01 1k85 s THR 603 Cb -0.08 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.23 1k85 s THR 603 CO 0.43 0.18 0.01 1.33 -0.69 0.00 0.00 174.62 175.87 1k85 n VAL 604 N 5.28 0.00 -0.08 3.82 0.24 -0.82 -5.00 118.33 121.77 1k85 n VAL 604 Ca -0.04 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1k85 n VAL 604 Cb 0.50 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1k85 n VAL 604 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1k85 n THR 605 N -0.35 0.00 0.00 3.34 -2.24 -1.26 -1.43 114.28 112.34 1k85 n THR 605 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1k85 n THR 605 Cb 0.19 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1k85 n THR 605 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 606 N 0.00 0.60 0.00 3.38 0.00 -1.26 -4.51 105.19 103.40 1k85 n GLY 606 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k85 n GLY 606 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 607 N 0.00 0.00 -3.48 2.61 -2.24 -1.26 -4.79 114.28 105.12 1k85 n THR 607 Ca 0.00 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 1k85 n THR 607 Cb 0.00 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 1k85 n THR 607 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k85 s THR 608 N -1.17 2.45 0.05 4.28 -4.23 -1.26 -2.76 115.64 112.99 1k85 s THR 608 Ca 0.00 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.06 1k85 s THR 608 Cb 0.00 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.15 1k85 s THR 608 CO 0.00 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 174.48 1k85 s ALA 609 N -2.54 -0.96 -0.14 3.99 0.00 -0.80 -4.73 121.76 116.59 1k85 s ALA 609 Ca 0.48 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1k85 s ALA 609 Cb -0.04 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1k85 s ALA 609 CO 0.29 -0.46 -0.05 0.99 0.00 0.00 0.00 175.76 176.52 1k85 s THR 610 N -2.59 1.00 -0.29 0.00 2.01 -1.26 -2.41 115.64 112.10 1k85 s THR 610 Ca -0.05 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1k85 s THR 610 Cb -0.01 -1.13 0.05 0.00 0.01 0.00 0.00 72.50 71.43 1k85 s THR 610 CO -0.03 0.22 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.46 1k85 s ILE 611 N 1.70 2.81 0.18 1.82 1.01 -0.46 -4.71 121.20 123.55 1k85 s ILE 611 Ca 0.03 -1.45 0.06 0.00 0.00 0.00 0.00 60.65 59.29 1k85 s ILE 611 Cb -0.14 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1k85 s ILE 611 CO -0.08 -0.10 0.09 -0.44 0.00 0.00 0.00 174.94 174.41 1k85 s SER 612 N 1.22 5.24 0.00 3.58 0.01 -1.26 -1.38 113.70 121.11 1k85 s SER 612 Ca -0.06 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1k85 s SER 612 Cb -0.20 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1k85 s SER 612 CO -0.02 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1k85 n GLY 613 N -0.35 0.67 3.38 3.44 0.00 -0.12 -4.95 105.19 107.26 1k85 n GLY 613 Ca -0.09 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1k85 n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k85 s LEU 614 N -1.15 2.29 -0.05 0.99 1.43 -0.87 -5.04 118.68 116.28 1k85 s LEU 614 Ca 0.00 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 1k85 s LEU 614 Cb 0.00 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1k85 s LEU 614 CO 0.00 0.26 0.34 0.00 0.23 0.00 0.00 176.35 177.19 1k85 s ALA 615 N -0.82 3.70 0.85 4.21 0.00 -1.26 -3.80 121.76 124.64 1k85 s ALA 615 Ca 0.12 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 1k85 s ALA 615 Cb -0.10 -2.32 0.10 0.00 0.00 0.00 0.00 23.12 20.80 1k85 s ALA 615 CO 0.03 0.42 1.10 0.00 0.00 0.00 0.00 175.76 177.30 1k85 s ALA 616 N -0.74 1.79 -1.41 0.00 0.00 -1.26 -3.78 121.76 116.36 1k85 s ALA 616 Ca 0.21 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 1k85 s ALA 616 Cb -0.15 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1k85 s ALA 616 CO 0.10 -2.19 0.96 -0.25 0.00 0.00 0.00 175.76 174.38 1k85 n ASP 617 N -3.80 -4.06 -3.93 0.00 8.00 -0.19 -4.98 116.55 107.59 1k85 n ASP 617 Ca 0.09 -0.72 -0.10 0.00 0.71 0.00 0.00 54.79 54.76 1k85 n ASP 617 Cb 0.54 -4.29 -0.12 0.00 -0.02 0.00 0.00 41.12 37.23 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k85 s THR 618 N -3.40 0.07 -0.25 -3.53 2.01 -1.23 -4.99 115.64 104.32 1k85 s THR 618 Ca 0.43 -0.58 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 1k85 s THR 618 Cb -0.21 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 1k85 s THR 618 CO 0.80 -0.32 0.56 -0.55 -0.69 0.00 0.00 174.62 174.42 1k85 s SER 619 N -0.95 6.51 -0.10 3.53 0.15 -1.26 -2.60 113.70 118.97 1k85 s SER 619 Ca -0.10 0.61 0.03 0.00 0.70 0.00 0.00 55.95 57.19 1k85 s SER 619 Cb -0.06 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1k85 s SER 619 CO -0.00 -0.31 -0.22 -0.31 1.20 0.00 0.00 173.24 173.60 1k85 s TYR 620 N 2.33 2.37 -0.08 3.44 2.02 -0.96 -5.03 117.35 121.43 1k85 s TYR 620 Ca 0.24 -0.99 -0.03 0.00 -0.37 0.00 0.00 57.07 55.91 1k85 s TYR 620 Cb -0.16 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1k85 s TYR 620 CO 0.09 -0.42 0.06 0.95 -1.57 0.00 0.00 175.55 174.66 1k85 s THR 621 N 0.47 4.76 0.30 -0.71 -4.23 -1.26 -2.09 115.64 112.87 1k85 s THR 621 Ca -0.17 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 1k85 s THR 621 Cb -0.17 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.55 1k85 s THR 621 CO 0.07 0.56 0.05 -0.36 -0.54 0.00 0.00 174.62 174.40 1k85 s PHE 622 N -0.99 1.85 0.14 3.99 0.08 -1.11 -1.71 117.98 120.24 1k85 s PHE 622 Ca 0.16 -0.97 -0.25 0.00 0.12 0.00 0.00 56.93 55.99 1k85 s PHE 622 Cb -0.12 -1.16 0.07 0.00 -0.57 0.00 0.00 43.02 41.23 1k85 s PHE 622 CO 0.05 -0.03 0.92 0.95 -0.10 0.00 0.00 175.22 177.00 1k85 s THR 623 N -3.36 0.00 0.05 0.64 -4.23 -0.71 -1.03 115.64 106.99 1k85 s THR 623 Ca 0.35 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 1k85 s THR 623 Cb 0.08 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1k85 s THR 623 CO 0.14 0.00 -0.05 0.68 -0.54 0.00 0.00 174.62 174.85 1k85 s VAL 624 N -3.34 0.39 0.02 2.29 -7.23 -1.26 -1.09 120.40 110.18 1k85 s VAL 624 Ca 0.11 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1k85 s VAL 624 Cb -0.02 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 1k85 s VAL 624 CO 0.01 -0.61 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.63 1k85 s LYS 625 N -2.34 0.32 -0.12 4.82 1.02 0.44 -1.10 119.74 122.79 1k85 s LYS 625 Ca -0.05 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 1k85 s LYS 625 Cb -0.04 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 1k85 s LYS 625 CO -0.03 -0.06 0.04 0.00 -0.92 0.00 0.00 175.35 174.38 1k85 s ALA 626 N -1.45 3.39 0.08 5.17 0.00 -1.26 -1.06 121.76 126.63 1k85 s ALA 626 Ca -0.16 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1k85 s ALA 626 Cb -0.10 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1k85 s ALA 626 CO -0.01 0.47 -0.17 -1.59 0.00 0.00 0.00 175.76 174.46 1k85 s LYS 627 N -0.53 0.98 0.37 0.00 -2.85 -1.07 -2.12 119.74 114.52 1k85 s LYS 627 Ca 0.10 -1.05 0.08 0.00 -1.00 0.00 0.00 55.97 54.10 1k85 s LYS 627 Cb -0.12 -1.11 -0.03 0.00 -2.06 0.00 0.00 37.83 34.51 1k85 s LYS 627 CO 0.02 0.25 0.31 -0.51 0.10 0.00 0.00 175.35 175.53 1k85 s ASP 628 N -1.79 5.11 0.00 0.03 1.11 -0.04 -1.76 116.67 119.32 1k85 s ASP 628 Ca 0.02 -0.64 0.27 0.00 0.18 0.00 0.00 52.55 52.38 1k85 s ASP 628 Cb -0.10 -0.76 1.20 0.00 1.07 0.00 0.00 42.92 44.33 1k85 s ASP 628 CO 0.03 -0.49 1.87 0.00 1.18 0.00 0.00 175.17 177.77 1k85 n ALA 629 N -1.43 2.25 1.00 5.23 0.00 -0.46 -2.82 120.51 124.29 1k85 n ALA 629 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1k85 n ALA 629 Cb 0.61 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.78 1k85 n ALA 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k85 n ALA 630 N -1.45 3.86 -0.24 0.00 0.00 -1.26 -4.97 120.51 116.45 1k85 n ALA 630 Ca 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1k85 n ALA 630 Cb 0.29 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1k85 n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k85 n GLY 631 N 1.50 0.67 2.83 0.00 0.00 -1.13 -5.12 105.19 103.94 1k85 n GLY 631 Ca 0.05 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 1k85 n GLY 631 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k85 s ASN 632 N -1.64 0.37 -0.06 1.61 0.01 -1.26 -4.96 114.94 109.01 1k85 s ASN 632 Ca 0.00 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 1k85 s ASN 632 Cb 0.00 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.48 1k85 s ASN 632 CO 0.00 -0.08 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.66 1k85 s VAL 633 N 0.82 1.39 0.00 1.60 1.01 -1.26 -0.87 120.40 123.10 1k85 s VAL 633 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1k85 s VAL 633 Cb -0.11 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1k85 s VAL 633 CO -0.01 0.41 0.00 -0.24 0.00 0.00 0.00 175.10 175.25 1k85 n SER 634 N 3.43 0.00 -4.59 3.32 2.88 -0.90 -4.71 113.62 113.05 1k85 n SER 634 Ca -0.20 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.09 1k85 n SER 634 Cb 0.53 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.10 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k85 s ALA 635 N -3.93 3.40 0.19 -1.46 0.00 -1.26 -4.81 121.76 113.89 1k85 s ALA 635 Ca 0.00 -1.58 -0.20 0.00 0.00 0.00 0.00 51.96 50.18 1k85 s ALA 635 Cb 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 1k85 s ALA 635 CO 0.00 -1.62 0.70 0.00 0.00 0.00 0.00 175.76 174.84 1k85 s ALA 636 N -3.28 3.45 1.00 0.00 0.00 -1.26 -4.44 121.76 117.23 1k85 s ALA 636 Ca 0.67 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 1k85 s ALA 636 Cb -0.05 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1k85 s ALA 636 CO 0.46 0.34 0.02 -1.13 0.00 0.00 0.00 175.76 175.45 1k85 n SER 637 N 0.94 -0.69 -4.75 0.00 3.41 -0.26 -4.88 113.62 107.41 1k85 n SER 637 Ca -0.04 -0.67 -0.38 0.00 -0.26 0.00 0.00 58.87 57.52 1k85 n SER 637 Cb 0.51 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.49 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1k85 s ASN 638 N -1.39 5.15 0.10 4.04 2.47 -1.26 -4.72 114.94 119.34 1k85 s ASN 638 Ca 0.01 2.76 -0.30 0.00 0.42 0.00 0.00 52.86 55.75 1k85 s ASN 638 Cb -0.00 -2.63 -0.06 0.00 -1.45 0.00 0.00 41.25 37.11 1k85 s ASN 638 CO 0.01 -1.65 0.96 0.00 -3.72 0.00 0.00 177.10 172.70 1k85 s ALA 639 N -1.31 3.24 0.14 1.71 0.00 -1.26 -4.56 121.76 119.73 1k85 s ALA 639 Ca 0.73 0.57 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1k85 s ALA 639 Cb -0.40 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1k85 s ALA 639 CO 0.47 -0.04 0.28 0.54 0.00 0.00 0.00 175.76 177.02 1k85 s VAL 640 N 0.06 5.32 -0.40 0.00 0.11 -0.20 -4.91 120.40 120.38 1k85 s VAL 640 Ca 0.47 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.92 1k85 s VAL 640 Cb -0.23 -3.73 0.17 0.00 -1.53 0.00 0.00 36.38 31.05 1k85 s VAL 640 CO 0.30 -0.08 0.34 -0.94 -3.33 0.00 0.00 175.10 171.39 1k85 s SER 641 N -3.16 1.50 -0.18 3.54 1.04 -1.26 -2.73 113.70 112.44 1k85 s SER 641 Ca 0.35 -2.85 -0.09 0.00 0.48 0.00 0.00 55.95 53.84 1k85 s SER 641 Cb -0.11 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 1k85 s SER 641 CO 0.28 -0.19 0.13 0.54 0.98 0.00 0.00 173.24 174.99 1k85 s VAL 642 N 0.28 5.43 -0.35 5.02 0.11 -0.89 -4.97 120.40 125.03 1k85 s VAL 642 Ca 0.30 0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.45 1k85 s VAL 642 Cb -0.01 -3.45 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1k85 s VAL 642 CO -0.16 0.48 0.17 -0.54 -3.33 0.00 0.00 175.10 171.72 1k85 s LYS 643 N 0.04 2.94 0.00 1.54 1.02 -1.26 -2.26 119.74 121.76 1k85 s LYS 643 Ca 0.10 -0.99 0.32 0.00 0.02 0.00 0.00 55.97 55.42 1k85 s LYS 643 Cb -0.11 -3.62 1.90 0.00 -0.52 0.00 0.00 37.83 35.48 1k85 s LYS 643 CO -0.01 -0.60 2.22 0.25 -0.92 0.00 0.00 175.35 176.29