#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 -1.77 -0.41 2.00 -1.26 -4.69 117.12 110.98 1k85 n MET 558 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 1k85 n MET 558 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.28 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 -1.76 2.38 1.00 3.04 0.00 -1.26 -4.96 121.76 120.20 1k85 s ALA 559 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1k85 s ALA 559 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1k85 s ALA 559 CO 0.00 -1.51 0.00 -0.35 0.00 0.00 0.00 175.76 173.90 1k85 n PRO 560 N -1.96 2.10 -4.56 0.00 -0.04 -1.26 -4.94 135.00 124.34 1k85 n PRO 560 Ca 0.15 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 1k85 n PRO 560 Cb 0.49 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.80 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 2.63 0.10 0.52 -4.23 -1.26 -4.69 115.64 108.71 1k85 s THR 561 Ca 0.00 -0.78 -0.31 0.00 -1.18 0.00 0.00 61.69 59.41 1k85 s THR 561 Cb 0.00 -2.10 -0.11 0.00 1.34 0.00 0.00 72.50 71.63 1k85 s THR 561 CO 0.00 0.52 1.85 0.00 -0.54 0.00 0.00 174.62 176.45 1k85 n ALA 562 N 4.02 1.96 -1.47 3.99 0.00 -1.26 -4.66 120.51 123.10 1k85 n ALA 562 Ca -0.19 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 1k85 n ALA 562 Cb 0.52 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1k85 n ALA 562 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k85 n PRO 563 N 5.93 0.64 -4.18 0.00 -0.02 -1.26 -4.90 135.00 131.20 1k85 n PRO 563 Ca 0.19 0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 1k85 n PRO 563 Cb 0.37 -1.53 -0.11 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.38 0.98 -0.92 3.45 -4.23 -1.25 -4.18 115.64 108.11 1k85 s THR 564 Ca 0.63 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1k85 s THR 564 Cb -0.64 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1k85 s THR 564 CO 0.58 -0.55 0.81 -3.20 -0.54 0.00 0.00 174.62 171.72 1k85 n ASN 565 N 0.53 -7.00 -4.90 3.99 5.15 -1.26 -2.53 115.26 109.24 1k85 n ASN 565 Ca -0.16 -0.47 -0.29 0.00 -0.60 0.00 0.00 54.58 53.07 1k85 n ASN 565 Cb 0.58 -5.04 -0.02 0.00 -0.53 0.00 0.00 39.78 34.77 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1k85 s LEU 566 N -4.87 3.82 0.29 1.20 2.96 -1.26 -3.98 118.68 116.84 1k85 s LEU 566 Ca 0.26 0.94 -0.20 0.00 -0.22 0.00 0.00 54.13 54.90 1k85 s LEU 566 Cb -0.04 -3.83 0.04 0.00 0.50 0.00 0.00 46.19 42.86 1k85 s LEU 566 CO 0.76 -0.41 0.78 0.00 -1.32 0.00 0.00 176.35 176.16 1k85 s ALA 567 N -2.43 -1.18 -0.12 5.97 0.00 -0.10 -4.98 121.76 118.93 1k85 s ALA 567 Ca 0.48 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1k85 s ALA 567 Cb -0.10 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 1k85 s ALA 567 CO 0.36 -1.03 -0.20 -1.54 0.00 0.00 0.00 175.76 173.34 1k85 s SER 568 N -2.98 3.38 0.00 0.00 1.04 -1.26 -1.44 113.70 112.44 1k85 s SER 568 Ca 0.13 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1k85 s SER 568 Cb -0.05 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1k85 s SER 568 CO 0.07 0.14 0.00 0.35 0.98 0.00 0.00 173.24 174.79 1k85 n THR 569 N 3.64 0.00 -2.91 2.02 -2.24 -0.65 -4.90 114.28 109.23 1k85 n THR 569 Ca -0.19 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 1k85 n THR 569 Cb 0.53 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 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 -4.27 3.24 -0.09 6.98 0.00 -1.26 -4.92 121.76 121.45 1k85 s ALA 570 Ca 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 51.96 49.76 1k85 s ALA 570 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1k85 s ALA 570 CO 0.00 -2.79 -0.10 -1.14 0.00 0.00 0.00 175.76 171.73 1k85 s GLN 571 N 3.42 2.94 0.00 0.00 0.74 -1.26 -0.59 119.66 124.91 1k85 s GLN 571 Ca 0.24 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.03 1k85 s GLN 571 Cb -0.14 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.40 1k85 s GLN 571 CO 0.03 0.49 0.00 0.25 -0.55 0.00 0.00 175.29 175.51 1k85 n THR 572 N 2.72 0.00 0.86 -0.34 -2.24 -0.19 -5.01 114.28 110.08 1k85 n THR 572 Ca -0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1k85 n THR 572 Cb 0.53 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.39 0.08 4.28 -2.24 -1.26 -4.52 114.28 111.02 1k85 n THR 573 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1k85 n THR 573 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.66 0.05 -4.61 3.42 3.41 -1.26 -4.20 113.62 111.09 1k85 n SER 574 Ca 0.16 0.28 -0.24 0.00 -0.26 0.00 0.00 58.87 58.81 1k85 n SER 574 Cb 0.38 0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1k85 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k85 s SER 575 N -5.13 4.39 -0.03 4.04 0.15 -1.25 -2.28 113.70 113.58 1k85 s SER 575 Ca 0.00 -0.66 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 1k85 s SER 575 Cb 0.00 -0.77 0.02 0.00 -1.71 0.00 0.00 66.02 63.56 1k85 s SER 575 CO 0.00 0.03 0.08 -0.51 1.20 0.00 0.00 173.24 174.04 1k85 s ILE 576 N -2.17 -0.02 -0.20 6.45 2.07 -0.97 -1.03 121.20 125.33 1k85 s ILE 576 Ca 0.30 0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 59.50 1k85 s ILE 576 Cb -0.07 -0.13 -0.05 0.00 0.13 0.00 0.00 42.46 42.34 1k85 s ILE 576 CO 0.18 0.03 0.14 -0.89 -1.91 0.00 0.00 174.94 172.50 1k85 s THR 577 N 0.44 5.40 -0.08 4.00 2.01 0.24 -2.42 115.64 125.22 1k85 s THR 577 Ca -0.03 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.23 1k85 s THR 577 Cb -0.05 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1k85 s THR 577 CO -0.02 0.43 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.89 1k85 s LEU 578 N 0.43 2.18 0.06 4.42 2.96 -0.55 -1.64 118.68 126.55 1k85 s LEU 578 Ca 0.09 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1k85 s LEU 578 Cb -0.11 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 1k85 s LEU 578 CO -0.01 0.21 -0.20 -0.94 -1.32 0.00 0.00 176.35 174.10 1k85 s SER 579 N 0.04 2.36 0.28 3.68 1.04 -0.52 -1.24 113.70 119.34 1k85 s SER 579 Ca -0.09 -0.57 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 1k85 s SER 579 Cb -0.15 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1k85 s SER 579 CO 0.06 0.10 0.70 -1.66 0.98 0.00 0.00 173.24 173.41 1k85 s TRP 580 N -0.95 -0.12 0.08 5.02 -2.14 -1.23 -0.93 118.94 118.67 1k85 s TRP 580 Ca 0.06 -0.33 -0.30 0.00 2.66 0.00 0.00 56.10 58.19 1k85 s TRP 580 Cb -0.09 0.66 -0.05 0.00 -3.10 0.00 0.00 33.47 30.89 1k85 s TRP 580 CO 0.03 -1.23 0.99 0.99 -2.66 0.00 0.00 176.95 175.07 1k85 s THR 581 N -3.87 4.53 1.10 0.66 2.01 -1.05 -4.94 115.64 114.08 1k85 s THR 581 Ca 0.12 2.00 -0.16 0.00 0.31 0.00 0.00 61.69 63.96 1k85 s THR 581 Cb -0.05 -4.28 0.24 0.00 0.01 0.00 0.00 72.50 68.42 1k85 s THR 581 CO 0.07 0.26 1.12 0.00 -0.69 0.00 0.00 174.62 175.39 1k85 s ALA 582 N 0.32 0.92 0.36 7.40 0.00 -1.26 -3.92 121.76 125.57 1k85 s ALA 582 Ca 0.49 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 1k85 s ALA 582 Cb -0.23 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 1k85 s ALA 582 CO 0.30 -3.17 0.83 0.45 0.00 0.00 0.00 175.76 174.16 1k85 s SER 583 N -3.84 6.88 0.00 0.00 0.15 -1.26 -4.85 113.70 110.78 1k85 s SER 583 Ca 0.69 1.48 0.23 0.00 0.70 0.00 0.00 55.95 59.05 1k85 s SER 583 Cb -0.13 -2.45 1.08 0.00 -1.71 0.00 0.00 66.02 62.81 1k85 s SER 583 CO 0.56 -0.25 1.74 0.35 1.20 0.00 0.00 173.24 176.85 1k85 n THR 584 N -0.36 0.35 -3.28 6.45 -2.24 -1.26 -3.84 114.28 110.09 1k85 n THR 584 Ca 0.04 0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.65 1k85 n THR 584 Cb 0.53 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k85 n ASP 585 N -1.38 2.99 0.00 3.42 8.00 -1.26 -4.87 116.55 123.44 1k85 n ASP 585 Ca 0.08 -3.31 0.09 0.00 0.71 0.00 0.00 54.79 52.36 1k85 n ASP 585 Cb 0.22 -0.64 0.51 0.00 -0.02 0.00 0.00 41.12 41.19 1k85 n ASP 585 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1k85 n ASN 586 N 0.75 0.00 0.06 -2.24 6.94 -1.25 -3.33 115.26 116.20 1k85 n ASN 586 Ca 0.28 -1.24 0.10 0.00 -0.02 0.00 0.00 54.58 53.70 1k85 n ASN 586 Cb 0.45 0.00 0.40 0.00 -2.36 0.00 0.00 39.78 38.27 1k85 n ASN 586 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1k85 n VAL 587 N -0.80 0.88 0.00 3.53 3.14 -1.26 -3.78 118.33 120.03 1k85 n VAL 587 Ca 0.13 0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 1k85 n VAL 587 Cb 0.06 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 31.80 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k85 n GLY 588 N 0.09 0.00 3.73 7.55 0.00 -1.21 -5.08 105.19 110.27 1k85 n GLY 588 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.51 2.14 0.01 1.61 1.01 -1.24 -2.57 120.40 119.85 1k85 s VAL 589 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1k85 s VAL 589 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1k85 s VAL 589 CO 0.00 -0.02 0.00 1.07 0.00 0.00 0.00 175.10 176.15 1k85 n THR 590 N -1.94 0.06 -4.09 3.92 5.66 -0.89 -4.83 114.28 112.17 1k85 n THR 590 Ca 0.15 0.02 -0.13 0.00 -3.05 0.00 0.00 64.05 61.04 1k85 n THR 590 Cb 0.48 -1.30 -0.05 0.00 -1.55 0.00 0.00 70.33 67.91 1k85 n THR 590 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1k85 s GLY 591 N -4.95 1.30 0.22 1.09 0.00 -1.24 -4.80 107.32 98.93 1k85 s GLY 591 Ca 0.00 -1.42 0.10 0.00 0.00 0.00 0.00 44.72 43.40 1k85 s GLY 591 CO 0.00 -0.99 -0.19 -0.19 0.00 0.00 0.00 173.10 171.72 1k85 s TYR 592 N -3.48 2.06 -0.05 1.90 1.51 -0.10 -2.57 117.35 116.62 1k85 s TYR 592 Ca 0.30 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1k85 s TYR 592 Cb 0.01 -0.96 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1k85 s TYR 592 CO 0.17 0.51 0.03 0.16 -1.11 0.00 0.00 175.55 175.31 1k85 s ASP 593 N -3.12 1.29 -0.14 2.29 -4.77 -1.05 -1.46 116.67 109.71 1k85 s ASP 593 Ca 0.23 -0.01 -0.07 0.00 -3.30 0.00 0.00 52.55 49.41 1k85 s ASP 593 Cb -0.05 -0.29 -0.04 0.00 -1.09 0.00 0.00 42.92 41.45 1k85 s ASP 593 CO 0.10 -0.21 0.11 0.54 0.70 0.00 0.00 175.17 176.42 1k85 s VAL 594 N 1.97 5.27 0.04 2.11 0.11 -1.11 -1.55 120.40 127.24 1k85 s VAL 594 Ca 0.04 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1k85 s VAL 594 Cb -0.12 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 1k85 s VAL 594 CO -0.04 0.57 0.10 -0.31 -3.33 0.00 0.00 175.10 172.09 1k85 s TYR 595 N -0.62 3.29 -1.00 1.54 1.51 0.50 -1.56 117.35 121.02 1k85 s TYR 595 Ca 0.12 0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 56.24 1k85 s TYR 595 Cb -0.12 -1.70 0.25 0.00 -0.11 0.00 0.00 41.96 40.29 1k85 s TYR 595 CO 0.02 0.55 0.98 0.54 -1.11 0.00 0.00 175.55 176.53 1k85 s ASN 596 N -2.10 7.09 0.00 2.29 2.20 0.12 -2.13 114.94 122.41 1k85 s ASN 596 Ca 0.27 -3.21 0.00 0.00 -0.94 0.00 0.00 52.86 48.98 1k85 s ASN 596 Cb -0.12 -2.22 0.00 0.00 -2.00 0.00 0.00 41.25 36.91 1k85 s ASN 596 CO 0.19 -0.42 0.00 0.61 -2.94 0.00 0.00 177.10 174.54 1k85 n GLY 597 N 3.27 2.01 0.00 0.45 0.00 0.11 -3.52 105.19 107.52 1k85 n GLY 597 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.28 2.61 -2.24 -1.26 -5.00 114.28 105.11 1k85 n THR 598 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1k85 n THR 598 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.07 3.91 -0.28 6.98 0.00 -1.23 -5.04 121.76 126.03 1k85 s ALA 599 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 1k85 s ALA 599 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1k85 s ALA 599 CO 0.00 -0.17 1.06 -1.17 0.00 0.00 0.00 175.76 175.48 1k85 s LEU 600 N -4.35 4.01 0.00 0.00 1.98 -1.26 0.16 118.68 119.21 1k85 s LEU 600 Ca 0.45 1.20 0.00 0.00 -2.89 0.00 0.00 54.13 52.89 1k85 s LEU 600 Cb -0.10 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.21 1k85 s LEU 600 CO 0.35 -0.78 0.00 0.00 -1.89 0.00 0.00 176.35 174.03 1k85 n ALA 601 N 6.60 0.00 -2.08 5.97 0.00 -0.60 -4.79 120.51 125.61 1k85 n ALA 601 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 1k85 n ALA 601 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 0.83 3.13 -0.05 0.00 -1.32 -1.21 -4.98 115.64 112.04 1k85 s THR 602 Ca 0.00 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.03 1k85 s THR 602 Cb 0.00 -3.20 0.02 0.00 -1.51 0.00 0.00 72.50 67.81 1k85 s THR 602 CO 0.00 -0.16 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.30 1k85 s THR 603 N -2.81 0.65 0.37 5.08 2.01 -1.26 -2.75 115.64 116.93 1k85 s THR 603 Ca 0.55 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.39 1k85 s THR 603 Cb -0.10 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1k85 s THR 603 CO 0.40 0.25 0.15 1.33 -0.69 0.00 0.00 174.62 176.06 1k85 n VAL 604 N 3.96 0.00 0.00 3.82 0.24 -0.53 -4.96 118.33 120.86 1k85 n VAL 604 Ca -0.25 -2.20 0.00 0.00 -2.04 0.00 0.00 64.34 59.85 1k85 n VAL 604 Cb 0.51 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 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 -0.81 0.00 0.00 3.34 -2.24 -1.26 -0.92 114.28 112.39 1k85 n THR 605 Ca -0.04 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1k85 n THR 605 Cb 0.56 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.45 1.55 0.64 3.38 0.00 -1.26 -4.60 105.19 105.34 1k85 n GLY 606 Ca 0.00 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.60 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 1.83 -4.33 2.61 -2.24 -1.26 -4.78 114.28 106.11 1k85 n THR 607 Ca 0.00 -1.67 -0.17 0.00 -2.27 0.00 0.00 64.05 59.94 1k85 n THR 607 Cb 0.00 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.28 0.60 -0.11 4.28 -4.23 -1.25 -3.57 115.64 109.08 1k85 s THR 608 Ca 0.33 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.73 1k85 s THR 608 Cb 0.26 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1k85 s THR 608 CO 0.09 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.47 1k85 s ALA 609 N -3.70 -0.75 -0.20 3.99 0.00 -0.37 -4.70 121.76 116.02 1k85 s ALA 609 Ca 0.37 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1k85 s ALA 609 Cb 0.08 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1k85 s ALA 609 CO 0.14 -0.16 -0.07 0.99 0.00 0.00 0.00 175.76 176.66 1k85 s THR 610 N 0.02 1.47 -0.35 0.00 2.01 -1.25 -1.48 115.64 116.06 1k85 s THR 610 Ca -0.01 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1k85 s THR 610 Cb -0.02 -1.64 0.05 0.00 0.01 0.00 0.00 72.50 70.90 1k85 s THR 610 CO 0.01 0.06 0.12 -0.63 -0.69 0.00 0.00 174.62 173.49 1k85 s ILE 611 N 1.45 3.66 0.36 1.82 1.01 -1.02 -4.82 121.20 123.67 1k85 s ILE 611 Ca -0.02 -1.30 0.07 0.00 0.00 0.00 0.00 60.65 59.40 1k85 s ILE 611 Cb -0.17 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1k85 s ILE 611 CO -0.07 -0.26 0.40 -0.44 0.00 0.00 0.00 174.94 174.57 1k85 s SER 612 N 1.51 5.48 0.00 3.58 0.01 -1.26 -2.30 113.70 120.72 1k85 s SER 612 Ca -0.01 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1k85 s SER 612 Cb -0.20 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.11 1k85 s SER 612 CO 0.01 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1k85 n GLY 613 N -1.55 0.67 3.96 3.44 0.00 -1.17 -4.97 105.19 105.57 1k85 n GLY 613 Ca 0.01 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.21 3.45 0.07 0.99 1.43 -0.97 -5.10 118.68 118.35 1k85 s LEU 614 Ca 0.00 0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1k85 s LEU 614 Cb 0.00 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1k85 s LEU 614 CO 0.00 -0.92 -0.18 0.00 0.23 0.00 0.00 176.35 175.47 1k85 s ALA 615 N -2.67 2.62 0.69 4.21 0.00 -1.26 -4.59 121.76 120.75 1k85 s ALA 615 Ca 0.53 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1k85 s ALA 615 Cb -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1k85 s ALA 615 CO 0.38 0.58 1.07 0.00 0.00 0.00 0.00 175.76 177.79 1k85 s ALA 616 N -1.01 2.82 -1.45 0.00 0.00 -1.26 -4.02 121.76 116.84 1k85 s ALA 616 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 1k85 s ALA 616 Cb -0.10 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1k85 s ALA 616 CO 0.07 -1.10 0.92 -0.25 0.00 0.00 0.00 175.76 175.40 1k85 n ASP 617 N -3.01 -5.96 -3.94 0.00 9.92 -1.01 -4.99 116.55 107.56 1k85 n ASP 617 Ca 0.07 -0.47 -0.10 0.00 -0.53 0.00 0.00 54.79 53.75 1k85 n ASP 617 Cb 0.55 -4.75 -0.12 0.00 -0.64 0.00 0.00 41.12 36.17 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1k85 s THR 618 N -3.25 0.08 -0.01 -3.53 2.01 -1.26 -5.01 115.64 104.67 1k85 s THR 618 Ca 0.49 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 1k85 s THR 618 Cb -0.22 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 1k85 s THR 618 CO 0.60 -0.34 0.24 -0.55 -0.69 0.00 0.00 174.62 173.88 1k85 s SER 619 N -1.02 6.47 0.05 3.53 0.15 -1.26 -2.52 113.70 119.10 1k85 s SER 619 Ca -0.11 0.52 0.01 0.00 0.70 0.00 0.00 55.95 57.07 1k85 s SER 619 Cb -0.07 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1k85 s SER 619 CO -0.01 0.28 -0.05 -0.31 1.20 0.00 0.00 173.24 174.35 1k85 s TYR 620 N -1.26 0.56 -0.02 3.44 2.02 -1.07 -4.97 117.35 116.05 1k85 s TYR 620 Ca 0.25 -0.68 0.06 0.00 -0.37 0.00 0.00 57.07 56.34 1k85 s TYR 620 Cb -0.13 -0.35 -0.01 0.00 -0.40 0.00 0.00 41.96 41.06 1k85 s TYR 620 CO 0.15 -0.18 -0.19 0.99 -1.57 0.00 0.00 175.55 174.75 1k85 s THR 621 N -2.22 1.54 0.08 -0.71 2.01 -1.25 -1.19 115.64 113.89 1k85 s THR 621 Ca -0.05 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1k85 s THR 621 Cb -0.04 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1k85 s THR 621 CO -0.03 0.43 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.87 1k85 s PHE 622 N -0.40 1.04 -0.11 4.92 0.08 -0.87 -0.71 117.98 121.93 1k85 s PHE 622 Ca 0.06 -0.54 -0.05 0.00 0.12 0.00 0.00 56.93 56.52 1k85 s PHE 622 Cb -0.08 -0.58 0.05 0.00 -0.57 0.00 0.00 43.02 41.84 1k85 s PHE 622 CO -0.00 0.01 0.25 0.95 -0.10 0.00 0.00 175.22 176.32 1k85 s THR 623 N -1.75 -0.09 0.02 0.64 -4.23 -0.90 -2.23 115.64 107.09 1k85 s THR 623 Ca -0.01 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1k85 s THR 623 Cb -0.07 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.34 1k85 s THR 623 CO 0.01 0.07 0.21 0.68 -0.54 0.00 0.00 174.62 175.05 1k85 s VAL 624 N 1.43 5.39 0.28 2.29 -7.23 -1.26 -0.37 120.40 120.93 1k85 s VAL 624 Ca -0.08 -0.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.92 1k85 s VAL 624 Cb -0.11 -3.58 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 1k85 s VAL 624 CO -0.09 0.25 0.08 -0.54 -0.31 0.00 0.00 175.10 174.50 1k85 s LYS 625 N -2.15 1.48 -0.06 4.82 1.02 -0.59 -0.96 119.74 123.29 1k85 s LYS 625 Ca 0.31 -1.80 0.03 0.00 0.02 0.00 0.00 55.97 54.52 1k85 s LYS 625 Cb -0.13 -0.45 0.01 0.00 -0.52 0.00 0.00 37.83 36.74 1k85 s LYS 625 CO 0.22 -0.25 -0.13 0.00 -0.92 0.00 0.00 175.35 174.26 1k85 s ALA 626 N -3.61 1.32 0.08 5.17 0.00 -1.26 -2.54 121.76 120.93 1k85 s ALA 626 Ca 0.37 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.95 1k85 s ALA 626 Cb 0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1k85 s ALA 626 CO 0.14 0.14 -0.25 -1.59 0.00 0.00 0.00 175.76 174.20 1k85 s LYS 627 N 0.55 1.53 0.45 0.00 -2.85 -1.06 -2.03 119.74 116.33 1k85 s LYS 627 Ca -0.13 -1.19 0.08 0.00 -1.00 0.00 0.00 55.97 53.73 1k85 s LYS 627 Cb -0.15 -1.84 0.02 0.00 -2.06 0.00 0.00 37.83 33.80 1k85 s LYS 627 CO 0.04 0.45 0.55 -0.51 0.10 0.00 0.00 175.35 175.98 1k85 s ASP 628 N -1.62 5.35 -0.24 0.03 1.11 -0.90 -2.10 116.67 118.31 1k85 s ASP 628 Ca 0.12 -0.63 -0.01 0.00 0.18 0.00 0.00 52.55 52.21 1k85 s ASP 628 Cb -0.10 -0.41 0.15 0.00 1.07 0.00 0.00 42.92 43.63 1k85 s ASP 628 CO 0.04 -0.85 2.07 0.00 1.18 0.00 0.00 175.17 177.60 1k85 n ALA 629 N -1.83 4.91 0.00 5.23 0.00 -1.06 -3.77 120.51 123.98 1k85 n ALA 629 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1k85 n ALA 629 Cb 0.60 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.69 2.14 0.00 0.00 0.00 -1.26 -5.05 120.51 117.03 1k85 n ALA 630 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1k85 n ALA 630 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 1.51 0.35 3.76 0.00 0.00 -1.25 -5.14 105.19 104.42 1k85 n GLY 631 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 7.39 0.06 1.61 -0.87 -1.26 -4.93 114.94 116.94 1k85 s ASN 632 Ca 0.00 1.65 0.05 0.00 -1.57 0.00 0.00 52.86 53.00 1k85 s ASN 632 Cb 0.00 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.25 38.68 1k85 s ASN 632 CO 0.00 0.11 -0.15 0.54 -2.57 0.00 0.00 177.10 175.03 1k85 s VAL 633 N -0.67 1.19 0.00 1.60 0.11 -1.26 -2.12 120.40 119.25 1k85 s VAL 633 Ca 0.39 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1k85 s VAL 633 Cb -0.23 -1.11 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 1k85 s VAL 633 CO 0.27 -0.13 0.00 -0.24 -3.33 0.00 0.00 175.10 171.67 1k85 n SER 634 N 1.45 0.00 -4.59 3.54 2.88 -0.86 -4.73 113.62 111.32 1k85 n SER 634 Ca -0.20 -0.41 -0.25 0.00 -1.33 0.00 0.00 58.87 56.68 1k85 n SER 634 Cb 0.54 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.12 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 -3.10 3.48 0.31 -1.46 0.00 -1.26 -4.80 121.76 114.93 1k85 s ALA 635 Ca 0.00 -1.66 -0.16 0.00 0.00 0.00 0.00 51.96 50.14 1k85 s ALA 635 Cb 0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 23.12 20.91 1k85 s ALA 635 CO 0.00 -1.63 0.74 0.00 0.00 0.00 0.00 175.76 174.87 1k85 s ALA 636 N -3.26 3.33 0.92 0.00 0.00 -1.26 -4.50 121.76 116.98 1k85 s ALA 636 Ca 0.68 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 1k85 s ALA 636 Cb -0.05 -2.78 0.12 0.00 0.00 0.00 0.00 23.12 20.41 1k85 s ALA 636 CO 0.46 0.33 0.75 -1.13 0.00 0.00 0.00 175.76 176.17 1k85 n SER 637 N -0.25 0.22 -4.68 0.00 3.41 -0.14 -4.88 113.62 107.31 1k85 n SER 637 Ca 0.03 -1.37 -0.31 0.00 -0.26 0.00 0.00 58.87 56.96 1k85 n SER 637 Cb 0.53 -0.56 0.16 0.00 -0.26 0.00 0.00 64.21 64.08 1k85 n SER 637 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1k85 s ASN 638 N -3.79 3.03 -0.12 4.04 0.01 -1.26 -4.67 114.94 112.18 1k85 s ASN 638 Ca 0.44 2.06 -0.15 0.00 -0.71 0.00 0.00 52.86 54.50 1k85 s ASN 638 Cb -0.01 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1k85 s ASN 638 CO 0.30 -3.02 0.38 0.00 -1.51 0.00 0.00 177.10 173.25 1k85 s ALA 639 N -2.68 3.57 -0.09 0.60 0.00 -1.26 -4.42 121.76 117.47 1k85 s ALA 639 Ca 0.66 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1k85 s ALA 639 Cb -0.22 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1k85 s ALA 639 CO 0.58 0.12 -0.16 0.54 0.00 0.00 0.00 175.76 176.84 1k85 s VAL 640 N 0.28 2.80 -0.17 0.00 0.11 -0.95 -4.93 120.40 117.54 1k85 s VAL 640 Ca 0.21 -0.78 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 1k85 s VAL 640 Cb -0.14 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 1k85 s VAL 640 CO 0.08 0.56 0.04 -0.55 -3.33 0.00 0.00 175.10 171.89 1k85 s SER 641 N -0.08 5.43 0.13 3.54 0.15 -1.26 -2.05 113.70 119.57 1k85 s SER 641 Ca -0.03 0.04 0.09 0.00 0.70 0.00 0.00 55.95 56.75 1k85 s SER 641 Cb -0.14 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1k85 s SER 641 CO 0.04 0.18 -0.19 0.68 1.20 0.00 0.00 173.24 175.15 1k85 s VAL 642 N 0.32 2.73 -0.52 4.45 -7.23 -0.33 -4.96 120.40 114.86 1k85 s VAL 642 Ca 0.02 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1k85 s VAL 642 Cb -0.13 -2.26 0.14 0.00 0.56 0.00 0.00 36.38 34.69 1k85 s VAL 642 CO 0.01 0.06 0.28 -0.75 -0.31 0.00 0.00 175.10 174.39 1k85 s LYS 643 N -2.22 1.85 0.00 4.82 2.20 -1.26 -2.61 119.74 122.52 1k85 s LYS 643 Ca 0.18 -2.55 0.32 0.00 -0.36 0.00 0.00 55.97 53.55 1k85 s LYS 643 Cb -0.10 -3.07 1.81 0.00 -1.51 0.00 0.00 37.83 34.96 1k85 s LYS 643 CO 0.10 -1.15 2.17 0.25 -0.36 0.00 0.00 175.35 176.37