#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 3.45 -1.72 1.57 0.00 -1.26 -4.99 117.12 114.17 1k85 n MET 558 Ca 0.00 -3.24 -0.35 0.00 0.00 0.00 0.00 57.70 54.11 1k85 n MET 558 Cb 0.00 -3.01 0.06 0.00 0.00 0.00 0.00 33.22 30.27 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 1.12 2.35 1.00 3.04 0.00 -1.26 -5.01 121.76 123.00 1k85 s ALA 559 Ca 0.43 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1k85 s ALA 559 Cb 0.11 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1k85 s ALA 559 CO -0.03 -1.50 0.00 -0.35 0.00 0.00 0.00 175.76 173.89 1k85 n PRO 560 N -2.21 1.02 -4.96 0.00 -0.04 -1.26 -4.97 135.00 122.58 1k85 n PRO 560 Ca 0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 1k85 n PRO 560 Cb 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 1k85 n PRO 560 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k85 s THR 561 N 0.00 2.86 0.14 0.52 2.01 -1.26 -4.58 115.64 115.34 1k85 s THR 561 Ca 0.00 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1k85 s THR 561 Cb 0.00 -2.11 -0.08 0.00 0.01 0.00 0.00 72.50 70.32 1k85 s THR 561 CO 0.00 0.58 1.29 0.00 -0.69 0.00 0.00 174.62 175.80 1k85 s ALA 562 N -0.60 3.50 0.80 7.40 0.00 -1.26 -4.51 121.76 127.10 1k85 s ALA 562 Ca 0.09 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 1k85 s ALA 562 Cb -0.11 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1k85 s ALA 562 CO 0.01 -0.51 -0.03 -2.30 0.00 0.00 0.00 175.76 172.93 1k85 n PRO 563 N 3.27 0.05 -4.05 0.00 -0.02 -1.26 -4.88 135.00 128.11 1k85 n PRO 563 Ca 0.08 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.47 1k85 n PRO 563 Cb 0.44 -1.42 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 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 -2.04 0.48 -0.90 3.45 -4.23 -1.17 -4.36 115.64 106.88 1k85 s THR 564 Ca 0.55 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.97 1k85 s THR 564 Cb -0.31 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.94 1k85 s THR 564 CO 0.69 -0.40 0.80 0.59 -0.54 0.00 0.00 174.62 175.77 1k85 n ASN 565 N 1.49 -7.15 -4.88 3.99 3.02 -1.26 -1.75 115.26 108.72 1k85 n ASN 565 Ca -0.23 -0.41 -0.31 0.00 -0.03 0.00 0.00 54.58 53.60 1k85 n ASN 565 Cb 0.55 -5.15 -0.04 0.00 -0.61 0.00 0.00 39.78 34.52 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1k85 s LEU 566 N -4.74 4.01 0.00 3.41 2.96 -1.26 -3.98 118.68 119.07 1k85 s LEU 566 Ca 0.23 1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 55.02 1k85 s LEU 566 Cb -0.03 -3.85 0.05 0.00 0.50 0.00 0.00 46.19 42.86 1k85 s LEU 566 CO 0.75 -0.24 0.73 0.00 -1.32 0.00 0.00 176.35 176.27 1k85 n ALA 567 N -0.76 -1.69 -3.61 5.97 0.00 -0.30 -4.95 120.51 115.17 1k85 n ALA 567 Ca 0.01 -1.09 -0.24 0.00 0.00 0.00 0.00 53.44 52.12 1k85 n ALA 567 Cb 0.53 0.84 -0.17 0.00 0.00 0.00 0.00 19.45 20.66 1k85 n ALA 567 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k85 s SER 568 N -2.88 1.68 0.00 0.00 1.04 -1.26 -1.88 113.70 110.39 1k85 s SER 568 Ca 0.15 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1k85 s SER 568 Cb -0.04 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.34 1k85 s SER 568 CO 0.10 -0.03 0.00 0.35 0.98 0.00 0.00 173.24 174.64 1k85 n THR 569 N 4.16 0.00 -2.80 2.02 -2.24 -0.65 -4.89 114.28 109.88 1k85 n THR 569 Ca -0.21 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1k85 n THR 569 Cb 0.51 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 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 -4.38 3.06 -0.28 6.98 0.00 -1.26 -4.90 121.76 120.98 1k85 s ALA 570 Ca 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.04 1k85 s ALA 570 Cb 0.00 -3.99 0.06 0.00 0.00 0.00 0.00 23.12 19.18 1k85 s ALA 570 CO 0.00 -2.94 -0.06 -1.14 0.00 0.00 0.00 175.76 171.62 1k85 s GLN 571 N 4.20 2.32 0.00 0.00 -0.44 -1.26 -0.55 119.66 123.92 1k85 s GLN 571 Ca 0.27 -1.32 0.00 0.00 -2.50 0.00 0.00 55.36 51.81 1k85 s GLN 571 Cb -0.13 -3.03 0.00 0.00 -1.64 0.00 0.00 33.01 28.21 1k85 s GLN 571 CO 0.07 -0.60 0.00 0.25 0.50 0.00 0.00 175.29 175.51 1k85 n THR 572 N 4.52 0.00 1.14 -0.34 -2.24 0.47 -4.98 114.28 112.85 1k85 n THR 572 Ca -0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1k85 n THR 572 Cb 0.43 -1.48 0.33 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.60 0.27 0.00 4.28 -2.24 -1.26 -4.42 114.28 110.30 1k85 n THR 573 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1k85 n THR 573 Cb 0.00 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.38 0.00 -4.84 3.42 3.41 -1.26 -4.03 113.62 110.70 1k85 n SER 574 Ca 0.15 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.55 1k85 n SER 574 Cb 0.33 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1k85 n SER 574 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1k85 s SER 575 N -4.57 5.21 -0.06 4.04 0.01 -1.26 -1.65 113.70 115.41 1k85 s SER 575 Ca 0.00 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.58 1k85 s SER 575 Cb 0.00 -0.94 0.03 0.00 0.21 0.00 0.00 66.02 65.32 1k85 s SER 575 CO 0.00 -0.35 0.36 -0.51 0.41 0.00 0.00 173.24 173.15 1k85 s ILE 576 N -2.32 0.03 -0.20 1.44 2.07 -1.01 -0.39 121.20 120.82 1k85 s ILE 576 Ca 0.40 -0.27 -0.05 0.00 -1.41 0.00 0.00 60.65 59.33 1k85 s ILE 576 Cb -0.05 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 1k85 s ILE 576 CO 0.26 -0.15 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.25 1k85 s THR 577 N -0.74 3.84 -0.13 4.00 2.01 0.28 -2.43 115.64 122.47 1k85 s THR 577 Ca -0.08 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 1k85 s THR 577 Cb -0.04 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1k85 s THR 577 CO 0.03 0.42 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.08 1k85 s LEU 578 N 1.11 3.01 -0.03 4.42 2.96 -0.60 -1.64 118.68 127.90 1k85 s LEU 578 Ca 0.02 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1k85 s LEU 578 Cb -0.14 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 1k85 s LEU 578 CO 0.01 0.19 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.52 1k85 s SER 579 N 0.21 1.99 0.25 3.68 0.15 -0.79 -1.47 113.70 117.72 1k85 s SER 579 Ca -0.05 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.13 1k85 s SER 579 Cb -0.14 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1k85 s SER 579 CO 0.04 0.17 0.55 -1.66 1.20 0.00 0.00 173.24 173.54 1k85 s TRP 580 N -0.15 0.17 -0.09 3.44 -2.14 -0.95 -1.15 118.94 118.06 1k85 s TRP 580 Ca 0.01 -0.56 -0.22 0.00 2.66 0.00 0.00 56.10 57.99 1k85 s TRP 580 Cb -0.09 0.36 -0.04 0.00 -3.10 0.00 0.00 33.47 30.61 1k85 s TRP 580 CO 0.01 -1.07 0.64 0.99 -2.66 0.00 0.00 176.95 174.86 1k85 s THR 581 N -3.98 5.08 1.07 0.66 2.01 -0.72 -4.78 115.64 114.97 1k85 s THR 581 Ca 0.18 1.31 -0.12 0.00 0.31 0.00 0.00 61.69 63.38 1k85 s THR 581 Cb -0.02 -3.98 0.23 0.00 0.01 0.00 0.00 72.50 68.73 1k85 s THR 581 CO 0.08 0.26 1.05 0.00 -0.69 0.00 0.00 174.62 175.31 1k85 n ALA 582 N 3.86 -2.05 -1.00 7.40 0.00 -1.26 -3.07 120.51 124.40 1k85 n ALA 582 Ca -0.03 -0.92 -0.29 0.00 0.00 0.00 0.00 53.44 52.20 1k85 n ALA 582 Cb 0.51 -2.07 0.18 0.00 0.00 0.00 0.00 19.45 18.06 1k85 n ALA 582 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1k85 s SER 583 N -2.49 2.64 0.00 0.00 0.01 -1.26 -4.73 113.70 107.86 1k85 s SER 583 Ca 0.68 1.49 0.26 0.00 1.31 0.00 0.00 55.95 59.69 1k85 s SER 583 Cb -0.24 -2.16 0.60 0.00 0.21 0.00 0.00 66.02 64.42 1k85 s SER 583 CO 0.62 -3.16 1.48 0.41 0.41 0.00 0.00 173.24 173.00 1k85 n THR 584 N -4.23 0.00 -3.13 1.44 -1.04 -1.26 -4.42 114.28 101.64 1k85 n THR 584 Ca 0.06 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 1k85 n THR 584 Cb 0.55 0.89 -0.05 0.00 -1.82 0.00 0.00 70.33 69.90 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 0.39 4.45 -3.46 8.00 9.92 -1.26 -5.05 116.55 129.54 1k85 n ASP 585 Ca 0.15 -3.58 0.00 0.00 -0.53 0.00 0.00 54.79 50.84 1k85 n ASP 585 Cb 0.44 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1k85 n ASP 585 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1k85 n ASN 586 N 0.30 0.00 0.00 -2.24 5.15 -1.26 -4.25 115.26 112.95 1k85 n ASN 586 Ca 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1k85 n ASN 586 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1k85 n VAL 587 N -0.15 0.00 -0.05 3.44 0.31 -1.26 -4.19 118.33 116.43 1k85 n VAL 587 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1k85 n VAL 587 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k85 n GLY 588 N 0.00 -0.55 3.68 2.92 0.00 -1.26 -4.97 105.19 105.01 1k85 n GLY 588 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.38 3.54 0.00 1.61 1.01 -1.26 -2.76 120.40 120.16 1k85 s VAL 589 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1k85 s VAL 589 Cb 0.04 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1k85 s VAL 589 CO 0.47 -0.02 0.47 0.35 0.00 0.00 0.00 175.10 176.37 1k85 n THR 590 N 4.81 0.10 -3.60 3.92 -2.24 -1.17 -4.99 114.28 111.12 1k85 n THR 590 Ca 0.14 -0.46 0.02 0.00 -2.27 0.00 0.00 64.05 61.48 1k85 n THR 590 Cb 0.43 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1k85 n THR 590 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k85 s GLY 591 N -0.10 -0.43 0.18 3.38 0.00 -1.24 -4.75 107.32 104.37 1k85 s GLY 591 Ca 0.00 0.92 0.04 0.00 0.00 0.00 0.00 44.72 45.68 1k85 s GLY 591 CO 0.00 0.20 -0.07 -0.19 0.00 0.00 0.00 173.10 173.04 1k85 s TYR 592 N -2.27 1.41 -0.04 1.90 1.51 -0.30 -2.34 117.35 117.23 1k85 s TYR 592 Ca 0.14 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1k85 s TYR 592 Cb 0.05 -0.76 -0.00 0.00 -0.11 0.00 0.00 41.96 41.14 1k85 s TYR 592 CO -0.05 0.05 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.77 1k85 s ASP 593 N -3.23 2.03 -0.21 2.29 1.01 0.25 -2.50 116.67 116.31 1k85 s ASP 593 Ca 0.22 -0.33 -0.10 0.00 0.71 0.00 0.00 52.55 53.05 1k85 s ASP 593 Cb 0.04 -0.56 -0.05 0.00 1.01 0.00 0.00 42.92 43.36 1k85 s ASP 593 CO 0.04 0.14 0.13 -0.69 0.21 0.00 0.00 175.17 175.01 1k85 s VAL 594 N 0.05 5.37 -0.17 -1.27 1.01 -1.08 -0.20 120.40 124.12 1k85 s VAL 594 Ca -0.04 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1k85 s VAL 594 Cb -0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1k85 s VAL 594 CO 0.02 0.42 -0.00 -0.31 0.00 0.00 0.00 175.10 175.23 1k85 s TYR 595 N 0.49 3.10 -0.42 5.22 2.02 -0.64 -0.75 117.35 126.37 1k85 s TYR 595 Ca 0.08 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1k85 s TYR 595 Cb -0.12 -2.00 0.12 0.00 -0.40 0.00 0.00 41.96 39.56 1k85 s TYR 595 CO -0.01 0.02 0.17 1.21 -1.57 0.00 0.00 175.55 175.37 1k85 s ASN 596 N 0.40 4.25 -0.67 2.29 3.04 0.20 -0.84 114.94 123.62 1k85 s ASN 596 Ca -0.02 -2.49 -0.03 0.00 0.04 0.00 0.00 52.86 50.36 1k85 s ASN 596 Cb -0.14 -1.39 0.00 0.00 -1.54 0.00 0.00 41.25 38.19 1k85 s ASN 596 CO 0.02 -0.31 0.68 0.61 -3.04 0.00 0.00 177.10 175.06 1k85 n GLY 597 N 3.78 -1.25 3.27 1.21 0.00 -0.70 -2.99 105.19 108.51 1k85 n GLY 597 Ca 0.05 0.63 -0.20 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.47 -0.58 -3.18 2.61 -2.24 -1.26 -4.89 114.28 103.27 1k85 n THR 598 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1k85 n THR 598 Cb 0.49 -1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.75 -2.08 -0.08 6.98 0.00 -1.16 -5.13 121.76 117.54 1k85 s ALA 599 Ca 0.34 1.52 -0.36 0.00 0.00 0.00 0.00 51.96 53.46 1k85 s ALA 599 Cb -0.19 -2.16 -0.14 0.00 0.00 0.00 0.00 23.12 20.63 1k85 s ALA 599 CO 0.42 -1.42 1.73 -0.11 0.00 0.00 0.00 175.76 176.38 1k85 n LEU 600 N 5.42 2.89 0.00 0.00 0.00 -1.26 -0.62 117.00 123.42 1k85 n LEU 600 Ca -0.00 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.04 1k85 n LEU 600 Cb 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.64 1k85 n LEU 600 CO 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 177.39 177.10 1k85 n ALA 601 N 5.31 0.00 -1.98 1.96 0.00 0.07 -4.80 120.51 121.06 1k85 n ALA 601 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 1k85 n ALA 601 Cb 0.24 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 0.31 2.16 -0.02 0.00 -1.32 -1.26 -4.97 115.64 110.55 1k85 s THR 602 Ca 0.00 -0.54 -0.01 0.00 -1.21 0.00 0.00 61.69 59.94 1k85 s THR 602 Cb 0.00 -2.62 0.02 0.00 -1.51 0.00 0.00 72.50 68.39 1k85 s THR 602 CO 0.00 0.00 0.04 -0.89 -2.21 0.00 0.00 174.62 171.56 1k85 s THR 603 N -3.19 -0.03 0.13 5.08 2.01 -1.26 -2.65 115.64 115.73 1k85 s THR 603 Ca 0.66 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.81 1k85 s THR 603 Cb -0.06 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 1k85 s THR 603 CO 0.45 0.05 0.08 1.33 -0.69 0.00 0.00 174.62 175.84 1k85 n VAL 604 N 3.72 0.00 0.00 3.82 0.24 -1.04 -4.95 118.33 120.12 1k85 n VAL 604 Ca -0.21 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 1k85 n VAL 604 Cb 0.54 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.26 0.00 -0.73 3.34 -2.24 -1.26 -1.15 114.28 111.98 1k85 n THR 605 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1k85 n THR 605 Cb 0.22 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 1.29 1.49 1.50 3.38 0.00 -1.26 -4.17 105.19 107.42 1k85 n GLY 606 Ca 0.00 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.35 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 1.52 -4.26 2.61 -2.24 -1.26 -4.69 114.28 105.97 1k85 n THR 607 Ca 0.00 -1.13 -0.18 0.00 -2.27 0.00 0.00 64.05 60.47 1k85 n THR 607 Cb 0.00 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 1k85 n THR 607 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k85 s THR 608 N -1.52 1.40 0.04 4.28 2.01 -1.26 -2.24 115.64 118.34 1k85 s THR 608 Ca 0.51 -1.79 -0.07 0.00 0.31 0.00 0.00 61.69 60.64 1k85 s THR 608 Cb 0.30 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 1k85 s THR 608 CO 0.28 -0.44 0.13 0.00 -0.69 0.00 0.00 174.62 173.90 1k85 s ALA 609 N -2.27 -0.16 -0.14 7.40 0.00 -0.54 -4.67 121.76 121.38 1k85 s ALA 609 Ca 0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 1k85 s ALA 609 Cb -0.04 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1k85 s ALA 609 CO 0.03 -0.34 0.03 0.99 0.00 0.00 0.00 175.76 176.47 1k85 s THR 610 N -2.68 0.38 -0.36 0.00 2.01 -1.26 -1.56 115.64 112.17 1k85 s THR 610 Ca -0.04 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1k85 s THR 610 Cb -0.01 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1k85 s THR 610 CO -0.05 -0.03 0.27 -0.63 -0.69 0.00 0.00 174.62 173.49 1k85 s ILE 611 N 1.94 5.27 -0.17 1.82 1.09 -1.02 -4.81 121.20 125.32 1k85 s ILE 611 Ca 0.02 -0.32 -0.08 0.00 -1.10 0.00 0.00 60.65 59.17 1k85 s ILE 611 Cb -0.15 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1k85 s ILE 611 CO -0.07 -0.10 0.10 -0.94 -0.10 0.00 0.00 174.94 173.82 1k85 s SER 612 N 1.71 5.94 0.00 3.58 1.04 -1.26 -2.39 113.70 122.33 1k85 s SER 612 Ca 0.06 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1k85 s SER 612 Cb -0.18 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1k85 s SER 612 CO 0.11 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1k85 n GLY 613 N 3.18 0.62 2.70 7.32 0.00 -1.08 -5.01 105.19 112.93 1k85 n GLY 613 Ca -0.17 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.11 0.65 0.10 0.99 1.43 -0.66 -5.02 118.68 116.06 1k85 s LEU 614 Ca 0.00 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 1k85 s LEU 614 Cb 0.00 -0.39 -0.08 0.00 0.03 0.00 0.00 46.19 45.74 1k85 s LEU 614 CO 0.00 -0.28 1.48 0.00 0.23 0.00 0.00 176.35 177.79 1k85 s ALA 615 N 2.01 3.65 1.27 4.21 0.00 -1.26 -4.04 121.76 127.59 1k85 s ALA 615 Ca 0.02 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 1k85 s ALA 615 Cb -0.15 -3.59 0.31 0.00 0.00 0.00 0.00 23.12 19.69 1k85 s ALA 615 CO -0.07 -0.78 1.01 0.00 0.00 0.00 0.00 175.76 175.92 1k85 s ALA 616 N 1.55 -0.24 -1.53 0.00 0.00 -1.26 -3.75 121.76 116.53 1k85 s ALA 616 Ca 0.67 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 1k85 s ALA 616 Cb -0.38 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1k85 s ALA 616 CO 0.30 -4.02 0.04 -3.47 0.00 0.00 0.00 175.76 168.62 1k85 n ASP 617 N -5.12 -5.26 -3.92 0.00 2.03 -1.25 -4.96 116.55 98.07 1k85 n ASP 617 Ca 0.09 0.03 -0.11 0.00 0.52 0.00 0.00 54.79 55.32 1k85 n ASP 617 Cb 0.58 -4.39 -0.13 0.00 -0.72 0.00 0.00 41.12 36.47 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1k85 s THR 618 N -2.91 0.05 0.00 5.18 2.01 -1.25 -5.03 115.64 113.69 1k85 s THR 618 Ca 0.02 -0.43 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1k85 s THR 618 Cb -0.01 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 1k85 s THR 618 CO 0.03 -0.23 0.64 -0.94 -0.69 0.00 0.00 174.62 173.42 1k85 s SER 619 N -0.69 7.02 -0.02 3.53 1.04 -1.26 -2.22 113.70 121.10 1k85 s SER 619 Ca -0.08 1.22 0.05 0.00 0.48 0.00 0.00 55.95 57.62 1k85 s SER 619 Cb -0.05 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 1k85 s SER 619 CO -0.00 0.07 -0.16 -0.31 0.98 0.00 0.00 173.24 173.82 1k85 s TYR 620 N -0.08 1.43 -0.21 5.02 2.02 -0.07 -4.97 117.35 120.50 1k85 s TYR 620 Ca 0.33 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 1k85 s TYR 620 Cb -0.19 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.47 1k85 s TYR 620 CO 0.18 -0.04 -0.14 0.95 -1.57 0.00 0.00 175.55 174.93 1k85 s THR 621 N -0.30 2.41 0.44 -0.71 -4.23 -1.26 -1.13 115.64 110.86 1k85 s THR 621 Ca 0.05 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.66 1k85 s THR 621 Cb -0.07 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 1k85 s THR 621 CO -0.00 0.39 0.41 -0.36 -0.54 0.00 0.00 174.62 174.51 1k85 s PHE 622 N 1.30 2.54 0.16 3.99 0.08 -0.89 -1.72 117.98 123.43 1k85 s PHE 622 Ca 0.03 -0.54 -0.24 0.00 0.12 0.00 0.00 56.93 56.30 1k85 s PHE 622 Cb -0.15 -2.15 0.07 0.00 -0.57 0.00 0.00 43.02 40.22 1k85 s PHE 622 CO -0.09 -0.22 1.02 0.95 -0.10 0.00 0.00 175.22 176.78 1k85 s THR 623 N -2.51 0.00 0.02 0.64 -4.23 -0.02 -2.44 115.64 107.11 1k85 s THR 623 Ca 0.47 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1k85 s THR 623 Cb -0.03 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1k85 s THR 623 CO 0.28 0.00 -0.03 0.68 -0.54 0.00 0.00 174.62 175.00 1k85 s VAL 624 N -2.75 0.15 -0.04 2.29 -7.23 -1.26 -1.62 120.40 109.93 1k85 s VAL 624 Ca 0.16 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1k85 s VAL 624 Cb -0.01 -0.30 0.03 0.00 0.56 0.00 0.00 36.38 36.65 1k85 s VAL 624 CO 0.03 -0.50 0.07 -0.54 -0.31 0.00 0.00 175.10 173.85 1k85 s LYS 625 N -1.50 -0.05 0.10 4.82 1.02 0.72 -1.55 119.74 123.30 1k85 s LYS 625 Ca -0.15 0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 1k85 s LYS 625 Cb -0.10 -0.39 -0.06 0.00 -0.52 0.00 0.00 37.83 36.76 1k85 s LYS 625 CO -0.01 -0.27 0.92 0.00 -0.92 0.00 0.00 175.35 175.07 1k85 s ALA 626 N 1.81 3.27 0.07 5.17 0.00 -1.26 -0.58 121.76 130.23 1k85 s ALA 626 Ca -0.00 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.52 1k85 s ALA 626 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1k85 s ALA 626 CO -0.03 0.00 -0.13 -1.59 0.00 0.00 0.00 175.76 174.01 1k85 s LYS 627 N -0.07 0.77 0.54 0.00 -2.85 -0.99 -1.53 119.74 115.61 1k85 s LYS 627 Ca 0.45 -0.91 0.04 0.00 -1.00 0.00 0.00 55.97 54.54 1k85 s LYS 627 Cb -0.23 -0.73 0.04 0.00 -2.06 0.00 0.00 37.83 34.85 1k85 s LYS 627 CO 0.28 0.16 0.33 -0.25 0.10 0.00 0.00 175.35 175.97 1k85 n ASP 628 N 1.33 2.87 -2.09 0.03 9.92 -0.45 -3.04 116.55 125.12 1k85 n ASP 628 Ca -0.21 -2.94 -0.20 0.00 -0.53 0.00 0.00 54.79 50.91 1k85 n ASP 628 Cb 0.54 0.03 0.01 0.00 -0.64 0.00 0.00 41.12 41.06 1k85 n ASP 628 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k85 n ALA 629 N -1.78 5.58 -1.48 2.24 0.00 -1.11 -3.59 120.51 120.36 1k85 n ALA 629 Ca -0.18 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1k85 n ALA 629 Cb 0.62 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.49 0.53 -0.65 0.00 0.00 -1.26 -5.00 120.51 114.61 1k85 n ALA 630 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1k85 n ALA 630 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 0.68 3.58 0.00 0.00 -1.24 -5.03 105.19 103.19 1k85 n GLY 631 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.07 6.35 -0.04 1.61 0.01 -1.26 -4.95 114.94 114.57 1k85 s ASN 632 Ca 0.00 0.17 0.05 0.00 -0.71 0.00 0.00 52.86 52.37 1k85 s ASN 632 Cb 0.00 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.39 1k85 s ASN 632 CO 0.00 -0.39 -0.18 0.54 -1.51 0.00 0.00 177.10 175.55 1k85 s VAL 633 N 2.34 1.53 0.00 1.60 0.11 -1.26 -1.34 120.40 123.38 1k85 s VAL 633 Ca 0.19 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1k85 s VAL 633 Cb -0.15 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 1k85 s VAL 633 CO 0.12 0.44 0.00 -0.24 -3.33 0.00 0.00 175.10 172.08 1k85 n SER 634 N 3.10 -0.01 -3.78 3.54 2.88 -0.58 -4.80 113.62 113.97 1k85 n SER 634 Ca -0.18 -0.03 -0.18 0.00 -1.33 0.00 0.00 58.87 57.16 1k85 n SER 634 Cb 0.53 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.08 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k85 n ALA 635 N -3.00 -0.05 -2.44 -1.46 0.00 -1.26 -4.78 120.51 107.51 1k85 n ALA 635 Ca 0.00 -1.40 -0.39 0.00 0.00 0.00 0.00 53.44 51.65 1k85 n ALA 635 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1k85 n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k85 s ALA 636 N -3.21 3.55 1.08 0.00 0.00 -1.26 -4.46 121.76 117.46 1k85 s ALA 636 Ca 0.49 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 1k85 s ALA 636 Cb -0.03 -2.65 0.12 0.00 0.00 0.00 0.00 23.12 20.57 1k85 s ALA 636 CO 0.33 0.27 0.50 -1.13 0.00 0.00 0.00 175.76 175.73 1k85 n SER 637 N 2.37 -1.14 -4.71 0.00 3.41 -0.60 -4.95 113.62 108.01 1k85 n SER 637 Ca -0.09 -0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 57.23 1k85 n SER 637 Cb 0.51 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1k85 n SER 637 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1k85 n ASN 638 N -3.71 2.68 -4.69 4.04 5.15 -1.26 -4.69 115.26 112.78 1k85 n ASN 638 Ca 0.07 1.11 -0.40 0.00 -0.60 0.00 0.00 54.58 54.76 1k85 n ASN 638 Cb 0.26 -1.52 -0.05 0.00 -0.53 0.00 0.00 39.78 37.93 1k85 n ASN 638 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k85 s ALA 639 N -1.20 3.47 -0.24 5.20 0.00 -1.26 -4.64 121.76 123.10 1k85 s ALA 639 Ca 0.61 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 1k85 s ALA 639 Cb -0.50 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1k85 s ALA 639 CO 0.58 -0.37 0.14 0.54 0.00 0.00 0.00 175.76 176.65 1k85 s VAL 640 N 1.46 5.19 -0.87 0.00 0.11 -1.02 -4.94 120.40 120.32 1k85 s VAL 640 Ca 0.32 0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 59.33 1k85 s VAL 640 Cb -0.16 -3.42 0.19 0.00 -1.53 0.00 0.00 36.38 31.46 1k85 s VAL 640 CO 0.13 0.35 0.91 -0.94 -3.33 0.00 0.00 175.10 172.22 1k85 s SER 641 N 1.07 6.72 -0.09 3.54 1.04 -1.26 -2.09 113.70 122.63 1k85 s SER 641 Ca 0.07 -2.46 0.03 0.00 0.48 0.00 0.00 55.95 54.07 1k85 s SER 641 Cb -0.14 -2.28 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 1k85 s SER 641 CO 0.04 -0.76 -0.20 0.54 0.98 0.00 0.00 173.24 173.85 1k85 s VAL 642 N 1.11 2.47 -0.11 5.02 0.11 -0.28 -4.95 120.40 123.76 1k85 s VAL 642 Ca 0.24 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1k85 s VAL 642 Cb -0.08 -1.97 -0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1k85 s VAL 642 CO -0.09 0.55 -0.11 -1.59 -3.33 0.00 0.00 175.10 170.54 1k85 s LYS 643 N 0.11 3.15 0.00 1.54 -2.85 -1.26 -0.89 119.74 119.55 1k85 s LYS 643 Ca -0.10 -0.64 0.32 0.00 -1.00 0.00 0.00 55.97 54.56 1k85 s LYS 643 Cb -0.16 -2.62 1.86 0.00 -2.06 0.00 0.00 37.83 34.85 1k85 s LYS 643 CO 0.06 0.38 2.20 0.25 0.10 0.00 0.00 175.35 178.34