#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 3.51 -1.97 -1.40 -0.00 -1.26 -4.97 117.12 111.03 1k85 n MET 558 Ca 0.00 -2.42 -0.37 0.00 -0.00 0.00 0.00 57.70 54.92 1k85 n MET 558 Cb 0.00 -2.05 0.03 0.00 -0.00 0.00 0.00 33.22 31.20 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 -2.41 2.63 1.00 3.17 0.00 -1.26 -4.88 121.76 120.00 1k85 s ALA 559 Ca 0.43 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1k85 s ALA 559 Cb 0.34 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1k85 s ALA 559 CO 0.11 -1.19 0.00 -0.35 0.00 0.00 0.00 175.76 174.33 1k85 n PRO 560 N -1.38 0.36 -3.67 0.00 -0.04 -1.26 -4.87 135.00 124.14 1k85 n PRO 560 Ca 0.12 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.22 1k85 n PRO 560 Cb 0.48 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.40 5.31 0.17 0.52 2.01 -1.26 -4.39 115.64 117.60 1k85 s THR 561 Ca 0.00 0.16 -0.32 0.00 0.31 0.00 0.00 61.69 61.85 1k85 s THR 561 Cb 0.00 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 1k85 s THR 561 CO 0.00 0.34 1.63 0.00 -0.69 0.00 0.00 174.62 175.90 1k85 s ALA 562 N 1.11 3.82 0.63 7.40 0.00 -1.26 -4.53 121.76 128.92 1k85 s ALA 562 Ca 0.07 1.43 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 1k85 s ALA 562 Cb -0.14 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.23 1k85 s ALA 562 CO 0.05 -0.85 0.19 -2.30 0.00 0.00 0.00 175.76 172.85 1k85 n PRO 563 N 4.10 0.24 -4.12 0.00 -0.02 -1.26 -4.91 135.00 129.03 1k85 n PRO 563 Ca 0.15 0.10 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1k85 n PRO 563 Cb 0.38 -1.44 -0.11 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.89 0.59 -0.83 3.45 -4.23 -1.25 -4.31 115.64 107.17 1k85 s THR 564 Ca 0.61 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 1k85 s THR 564 Cb -0.41 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.23 1k85 s THR 564 CO 0.62 -0.66 0.74 -3.20 -0.54 0.00 0.00 174.62 171.57 1k85 n ASN 565 N 0.64 -7.12 -4.90 3.99 5.15 -1.26 -1.89 115.26 109.88 1k85 n ASN 565 Ca -0.17 -0.35 -0.28 0.00 -0.60 0.00 0.00 54.58 53.18 1k85 n ASN 565 Cb 0.58 -4.78 -0.00 0.00 -0.53 0.00 0.00 39.78 35.04 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 -4.53 3.63 0.23 1.20 2.96 -1.26 -3.78 118.68 117.12 1k85 s LEU 566 Ca 0.12 0.99 -0.22 0.00 -0.22 0.00 0.00 54.13 54.79 1k85 s LEU 566 Cb -0.02 -3.94 0.04 0.00 0.50 0.00 0.00 46.19 42.77 1k85 s LEU 566 CO 0.77 -0.57 0.72 0.00 -1.32 0.00 0.00 176.35 175.95 1k85 s ALA 567 N -2.72 -1.37 0.08 5.97 0.00 0.61 -4.96 121.76 119.36 1k85 s ALA 567 Ca 0.48 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.50 1k85 s ALA 567 Cb -0.10 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1k85 s ALA 567 CO 0.44 -0.97 -0.25 -1.54 0.00 0.00 0.00 175.76 173.44 1k85 s SER 568 N -2.87 3.04 0.00 0.00 1.04 -1.26 -1.24 113.70 112.41 1k85 s SER 568 Ca 0.09 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1k85 s SER 568 Cb -0.04 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1k85 s SER 568 CO 0.01 0.20 0.00 0.35 0.98 0.00 0.00 173.24 174.78 1k85 n THR 569 N 1.46 0.00 -2.63 2.02 -2.24 -0.98 -4.97 114.28 106.94 1k85 n THR 569 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1k85 n THR 569 Cb 0.53 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.00 2.85 -0.46 6.98 0.00 -1.26 -4.89 121.76 122.98 1k85 s ALA 570 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1k85 s ALA 570 Cb 0.00 -4.21 0.12 0.00 0.00 0.00 0.00 23.12 19.03 1k85 s ALA 570 CO 0.00 -3.22 0.22 -0.65 0.00 0.00 0.00 175.76 172.11 1k85 s GLN 571 N 5.12 1.95 0.00 0.00 -0.21 -1.26 0.11 119.66 125.37 1k85 s GLN 571 Ca 0.34 -2.21 0.00 0.00 0.02 0.00 0.00 55.36 53.51 1k85 s GLN 571 Cb -0.08 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.50 1k85 s GLN 571 CO 0.09 -1.06 0.00 0.25 -2.12 0.00 0.00 175.29 172.44 1k85 n THR 572 N 3.85 0.00 0.86 -0.19 -2.24 0.16 -4.98 114.28 111.74 1k85 n THR 572 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1k85 n THR 572 Cb 0.38 -0.80 0.19 0.00 -2.10 0.00 0.00 70.33 68.00 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 0.09 0.00 4.28 -2.24 -1.26 -4.58 114.28 110.58 1k85 n THR 573 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1k85 n THR 573 Cb 0.00 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.68 0.63 -4.98 3.42 3.41 -1.26 -3.69 113.62 109.47 1k85 n SER 574 Ca 0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.45 1k85 n SER 574 Cb 0.37 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 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 -3.19 6.15 -0.05 4.04 1.04 -1.26 -3.05 113.70 117.38 1k85 s SER 575 Ca 0.00 -0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.15 1k85 s SER 575 Cb 0.00 -1.58 0.05 0.00 0.10 0.00 0.00 66.02 64.60 1k85 s SER 575 CO 0.00 -0.26 0.56 -0.51 0.98 0.00 0.00 173.24 174.01 1k85 s ILE 576 N -2.09 0.02 -0.02 -1.02 2.07 -0.69 -0.66 121.20 118.80 1k85 s ILE 576 Ca 0.39 -0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.56 1k85 s ILE 576 Cb -0.09 -0.87 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 1k85 s ILE 576 CO 0.30 -0.08 -0.24 -0.89 -1.91 0.00 0.00 174.94 172.12 1k85 s THR 577 N -1.13 2.22 0.10 4.00 2.01 0.12 -1.94 115.64 121.01 1k85 s THR 577 Ca -0.11 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 60.93 1k85 s THR 577 Cb -0.02 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1k85 s THR 577 CO 0.08 0.58 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.14 1k85 s LEU 578 N -0.64 2.29 -0.05 4.42 2.96 0.11 -2.32 118.68 125.45 1k85 s LEU 578 Ca 0.10 -0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1k85 s LEU 578 Cb -0.10 -0.96 0.03 0.00 0.50 0.00 0.00 46.19 45.67 1k85 s LEU 578 CO -0.01 0.09 0.12 -0.55 -1.32 0.00 0.00 176.35 174.68 1k85 s SER 579 N -1.89 -0.07 0.23 3.68 0.15 -0.37 -2.16 113.70 113.27 1k85 s SER 579 Ca 0.08 0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.86 1k85 s SER 579 Cb -0.10 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 1k85 s SER 579 CO 0.04 -0.13 0.41 -1.66 1.20 0.00 0.00 173.24 173.10 1k85 s TRP 580 N 1.02 0.50 0.31 3.44 -2.14 -1.17 -0.28 118.94 120.61 1k85 s TRP 580 Ca -0.08 -0.83 -0.27 0.00 2.66 0.00 0.00 56.10 57.58 1k85 s TRP 580 Cb -0.10 0.05 -0.10 0.00 -3.10 0.00 0.00 33.47 30.22 1k85 s TRP 580 CO -0.05 -0.92 0.95 0.99 -2.66 0.00 0.00 176.95 175.26 1k85 s THR 581 N -4.04 4.17 1.20 0.66 2.01 -0.79 -4.89 115.64 113.96 1k85 s THR 581 Ca 0.25 1.86 -0.14 0.00 0.31 0.00 0.00 61.69 63.97 1k85 s THR 581 Cb 0.01 -4.06 0.27 0.00 0.01 0.00 0.00 72.50 68.73 1k85 s THR 581 CO 0.09 0.20 0.81 0.00 -0.69 0.00 0.00 174.62 175.03 1k85 n ALA 582 N 0.72 -3.38 0.72 7.40 0.00 -1.26 -3.84 120.51 120.86 1k85 n ALA 582 Ca 0.01 -1.28 0.07 0.00 0.00 0.00 0.00 53.44 52.25 1k85 n ALA 582 Cb 0.49 -1.88 0.38 0.00 0.00 0.00 0.00 19.45 18.45 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 -4.43 0.00 -1.03 0.00 3.41 -1.26 -4.61 113.62 105.70 1k85 n SER 583 Ca 0.02 0.04 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1k85 n SER 583 Cb 0.56 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.27 0.00 -2.93 6.66 -1.04 -1.26 -4.39 114.28 110.05 1k85 n THR 584 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1k85 n THR 584 Cb 0.12 -1.61 -0.00 0.00 -1.82 0.00 0.00 70.33 67.02 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 -1.18 -1.88 0.00 8.00 8.00 -1.26 -5.08 116.55 123.15 1k85 n ASP 585 Ca -0.13 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1k85 n ASP 585 Cb 0.61 0.91 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 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 1.84 0.00 -1.97 -2.24 0.23 -1.26 -4.34 115.26 107.52 1k85 n ASN 586 Ca 0.15 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.16 1k85 n ASN 586 Cb 0.58 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.27 1k85 n ASN 586 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1k85 n VAL 587 N 0.00 -0.13 0.00 3.53 0.24 -1.26 -3.67 118.33 117.04 1k85 n VAL 587 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1k85 n VAL 587 Cb 0.00 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k85 n GLY 588 N -0.41 0.04 3.77 7.63 0.00 -1.26 -5.14 105.19 109.82 1k85 n GLY 588 Ca -0.05 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.80 3.40 0.00 1.61 1.01 -1.24 -3.54 120.40 120.84 1k85 s VAL 589 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1k85 s VAL 589 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1k85 s VAL 589 CO 0.00 0.09 0.00 1.07 0.00 0.00 0.00 175.10 176.26 1k85 n THR 590 N 0.13 0.00 -4.01 3.92 5.66 -1.23 -4.97 114.28 113.79 1k85 n THR 590 Ca 0.04 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.94 1k85 n THR 590 Cb 0.47 -0.38 -0.05 0.00 -1.55 0.00 0.00 70.33 68.83 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 -1.77 0.73 -0.03 1.09 0.00 -1.25 -4.52 107.32 101.56 1k85 s GLY 591 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1k85 s GLY 591 CO 0.00 -0.69 -0.10 -0.19 0.00 0.00 0.00 173.10 172.12 1k85 s TYR 592 N -3.69 1.12 -0.21 1.90 1.51 -0.54 -2.35 117.35 115.09 1k85 s TYR 592 Ca 0.24 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.89 1k85 s TYR 592 Cb -0.01 -0.80 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1k85 s TYR 592 CO 0.12 -0.13 0.14 -0.51 -1.11 0.00 0.00 175.55 174.05 1k85 s ASP 593 N 0.25 6.18 -0.18 2.29 1.11 0.53 -2.11 116.67 124.74 1k85 s ASP 593 Ca -0.05 0.19 -0.10 0.00 0.18 0.00 0.00 52.55 52.78 1k85 s ASP 593 Cb -0.10 -2.09 -0.05 0.00 1.07 0.00 0.00 42.92 41.75 1k85 s ASP 593 CO 0.01 0.14 0.15 -0.69 1.18 0.00 0.00 175.17 175.96 1k85 s VAL 594 N 0.58 5.42 -0.24 -1.27 1.01 -1.09 -0.24 120.40 124.58 1k85 s VAL 594 Ca 0.08 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1k85 s VAL 594 Cb -0.12 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1k85 s VAL 594 CO 0.00 0.48 0.14 -0.31 0.00 0.00 0.00 175.10 175.41 1k85 s TYR 595 N 0.02 3.27 -0.99 5.22 2.02 0.15 -0.70 117.35 126.34 1k85 s TYR 595 Ca 0.10 0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.81 1k85 s TYR 595 Cb -0.11 -2.25 0.25 0.00 -0.40 0.00 0.00 41.96 39.45 1k85 s TYR 595 CO 0.00 0.01 0.96 1.21 -1.57 0.00 0.00 175.55 176.15 1k85 s ASN 596 N 1.09 7.07 0.00 2.29 2.47 0.31 -1.99 114.94 126.17 1k85 s ASN 596 Ca 0.07 -3.20 0.00 0.00 0.42 0.00 0.00 52.86 50.15 1k85 s ASN 596 Cb -0.14 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1k85 s ASN 596 CO 0.04 -0.41 0.00 0.61 -3.72 0.00 0.00 177.10 173.62 1k85 n GLY 597 N 3.26 1.97 0.35 1.21 0.00 0.33 -3.93 105.19 108.38 1k85 n GLY 597 Ca 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.12 2.61 -2.24 -1.26 -4.96 114.28 104.30 1k85 n THR 598 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1k85 n THR 598 Cb 0.00 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.74 0.53 6.98 0.00 -1.25 -5.15 121.76 123.60 1k85 s ALA 599 Ca 0.00 -1.46 -0.20 0.00 0.00 0.00 0.00 51.96 50.30 1k85 s ALA 599 Cb 0.00 1.25 -0.07 0.00 0.00 0.00 0.00 23.12 24.31 1k85 s ALA 599 CO 0.00 -0.72 1.11 -1.17 0.00 0.00 0.00 175.76 174.97 1k85 s LEU 600 N -3.16 3.78 0.00 0.00 1.98 -1.26 -0.53 118.68 119.48 1k85 s LEU 600 Ca 0.32 2.12 0.00 0.00 -2.89 0.00 0.00 54.13 53.68 1k85 s LEU 600 Cb 0.02 -4.57 0.00 0.00 0.66 0.00 0.00 46.19 42.31 1k85 s LEU 600 CO 0.15 -1.10 0.00 0.00 -1.89 0.00 0.00 176.35 173.51 1k85 n ALA 601 N -1.20 0.00 -1.96 5.97 0.00 0.12 -4.58 120.51 118.86 1k85 n ALA 601 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 1k85 n ALA 601 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 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 1.09 2.37 -0.03 0.00 -1.32 -1.25 -4.95 115.64 111.56 1k85 s THR 602 Ca 0.00 -0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.96 1k85 s THR 602 Cb 0.00 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 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 -0.09 0.33 5.08 2.01 -1.26 -2.66 115.64 116.00 1k85 s THR 603 Ca 0.61 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.93 1k85 s THR 603 Cb -0.09 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 1k85 s THR 603 CO 0.42 0.12 0.07 1.33 -0.69 0.00 0.00 174.62 175.87 1k85 n VAL 604 N 4.63 0.00 0.00 3.82 0.24 -0.90 -5.00 118.33 121.12 1k85 n VAL 604 Ca -0.18 -1.77 0.00 0.00 -2.04 0.00 0.00 64.34 60.34 1k85 n VAL 604 Cb 0.50 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.79 0.00 0.00 3.34 -2.24 -1.26 -1.47 114.28 111.87 1k85 n THR 605 Ca -0.09 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1k85 n THR 605 Cb 0.46 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.13 0.49 0.00 3.38 0.00 -1.26 -4.51 105.19 103.41 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 -3.95 2.61 -2.24 -1.26 -4.81 114.28 104.62 1k85 n THR 607 Ca 0.00 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 1k85 n THR 607 Cb 0.00 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.38 2.08 -0.23 4.28 -4.23 -1.26 -3.03 115.64 112.88 1k85 s THR 608 Ca 0.00 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1k85 s THR 608 Cb 0.00 -2.64 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1k85 s THR 608 CO 0.00 0.00 0.53 0.00 -0.54 0.00 0.00 174.62 174.61 1k85 s ALA 609 N -2.65 -1.46 -0.28 3.99 0.00 -0.92 -4.74 121.76 115.71 1k85 s ALA 609 Ca 0.38 1.93 -0.02 0.00 0.00 0.00 0.00 51.96 54.24 1k85 s ALA 609 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1k85 s ALA 609 CO 0.22 -0.43 -0.02 0.99 0.00 0.00 0.00 175.76 176.52 1k85 s THR 610 N 1.79 3.06 -0.16 0.00 2.01 -1.26 -0.71 115.64 120.38 1k85 s THR 610 Ca -0.08 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 60.73 1k85 s THR 610 Cb -0.08 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1k85 s THR 610 CO -0.16 0.05 0.02 -0.63 -0.69 0.00 0.00 174.62 173.21 1k85 s ILE 611 N 1.32 4.43 0.45 1.82 1.09 -0.82 -4.89 121.20 124.59 1k85 s ILE 611 Ca -0.02 -0.17 0.04 0.00 -1.10 0.00 0.00 60.65 59.40 1k85 s ILE 611 Cb -0.18 -2.95 -0.05 0.00 -1.06 0.00 0.00 42.46 38.22 1k85 s ILE 611 CO -0.02 0.50 0.01 -0.94 -0.10 0.00 0.00 174.94 174.39 1k85 s SER 612 N 0.12 3.85 -0.33 3.58 1.04 -1.26 -1.70 113.70 118.99 1k85 s SER 612 Ca 0.03 -1.50 -0.01 0.00 0.48 0.00 0.00 55.95 54.94 1k85 s SER 612 Cb -0.13 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1k85 s SER 612 CO 0.02 -0.64 0.29 0.61 0.98 0.00 0.00 173.24 174.49 1k85 n GLY 613 N -1.07 0.42 3.30 7.32 0.00 -1.20 -4.98 105.19 108.98 1k85 n GLY 613 Ca -0.11 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.86 2.33 0.32 0.99 1.43 -1.17 -5.11 118.68 114.61 1k85 s LEU 614 Ca 0.08 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1k85 s LEU 614 Cb -0.04 -1.47 -0.10 0.00 0.03 0.00 0.00 46.19 44.61 1k85 s LEU 614 CO 0.19 0.20 0.97 0.00 0.23 0.00 0.00 176.35 177.94 1k85 s ALA 615 N 0.09 3.22 0.85 4.21 0.00 -1.26 -3.98 121.76 124.89 1k85 s ALA 615 Ca -0.09 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 1k85 s ALA 615 Cb -0.15 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 19.86 1k85 s ALA 615 CO 0.06 0.11 1.12 0.00 0.00 0.00 0.00 175.76 177.04 1k85 s ALA 616 N -1.55 2.01 -1.49 0.00 0.00 -1.24 -3.92 121.76 115.56 1k85 s ALA 616 Ca 0.50 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 1k85 s ALA 616 Cb -0.21 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1k85 s ALA 616 CO 0.26 -2.01 0.56 -0.25 0.00 0.00 0.00 175.76 174.32 1k85 n ASP 617 N -3.60 -5.52 -3.99 0.00 8.00 -0.65 -4.97 116.55 105.81 1k85 n ASP 617 Ca 0.07 -0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.14 1k85 n ASP 617 Cb 0.58 -4.49 -0.12 0.00 -0.02 0.00 0.00 41.12 37.07 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 -3.11 0.33 0.01 -3.53 2.01 -1.25 -4.97 115.64 105.14 1k85 s THR 618 Ca 0.32 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.42 1k85 s THR 618 Cb -0.15 -0.39 -0.06 0.00 0.01 0.00 0.00 72.50 71.92 1k85 s THR 618 CO 0.39 -0.25 0.55 -0.44 -0.69 0.00 0.00 174.62 174.18 1k85 s SER 619 N -1.01 6.96 -0.00 3.53 0.01 -1.26 -2.58 113.70 119.34 1k85 s SER 619 Ca -0.07 1.14 0.02 0.00 1.31 0.00 0.00 55.95 58.34 1k85 s SER 619 Cb -0.07 -2.34 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 1k85 s SER 619 CO -0.00 0.18 -0.06 -0.31 0.41 0.00 0.00 173.24 173.46 1k85 s TYR 620 N -0.55 0.50 -0.10 2.43 2.02 -0.71 -5.01 117.35 115.93 1k85 s TYR 620 Ca 0.29 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 1k85 s TYR 620 Cb -0.18 -0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1k85 s TYR 620 CO 0.17 -0.01 -0.10 0.95 -1.57 0.00 0.00 175.55 174.99 1k85 s THR 621 N -0.17 3.42 0.22 -0.71 -4.23 -1.26 -1.83 115.64 111.09 1k85 s THR 621 Ca 0.02 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 1k85 s THR 621 Cb -0.02 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 1k85 s THR 621 CO -0.00 0.55 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.15 1k85 s PHE 622 N -0.22 1.76 0.14 3.99 0.08 -1.10 -0.51 117.98 122.12 1k85 s PHE 622 Ca 0.02 -0.61 -0.24 0.00 0.12 0.00 0.00 56.93 56.22 1k85 s PHE 622 Cb -0.13 -0.87 0.07 0.00 -0.57 0.00 0.00 43.02 41.52 1k85 s PHE 622 CO 0.03 0.33 0.62 0.95 -0.10 0.00 0.00 175.22 177.05 1k85 s THR 623 N -2.99 0.00 0.14 0.64 -4.23 -0.84 -0.02 115.64 108.33 1k85 s THR 623 Ca 0.24 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.84 1k85 s THR 623 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 1k85 s THR 623 CO 0.08 0.00 -0.21 0.68 -0.54 0.00 0.00 174.62 174.64 1k85 s VAL 624 N -3.50 1.87 -0.00 2.29 -7.23 -1.26 -0.67 120.40 111.89 1k85 s VAL 624 Ca 0.00 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1k85 s VAL 624 Cb -0.01 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1k85 s VAL 624 CO -0.11 -0.16 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.97 1k85 s LYS 625 N -2.37 0.09 -0.32 4.82 1.02 0.67 -1.09 119.74 122.56 1k85 s LYS 625 Ca 0.12 -0.03 -0.17 0.00 0.02 0.00 0.00 55.97 55.92 1k85 s LYS 625 Cb -0.08 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1k85 s LYS 625 CO 0.06 0.01 0.44 0.00 -0.92 0.00 0.00 175.35 174.94 1k85 s ALA 626 N 0.04 3.51 0.07 5.17 0.00 -1.26 -0.34 121.76 128.94 1k85 s ALA 626 Ca -0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1k85 s ALA 626 Cb -0.01 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1k85 s ALA 626 CO -0.00 -1.03 -0.00 -1.59 0.00 0.00 0.00 175.76 173.13 1k85 s LYS 627 N 2.22 2.60 0.41 0.00 0.00 -0.99 -0.88 119.74 123.09 1k85 s LYS 627 Ca 0.16 -0.79 0.07 0.00 0.00 0.00 0.00 55.97 55.42 1k85 s LYS 627 Cb -0.16 -2.56 -0.06 0.00 0.00 0.00 0.00 37.83 35.04 1k85 s LYS 627 CO 0.12 0.56 0.11 -0.51 0.00 0.00 0.00 175.35 175.63 1k85 s ASP 628 N -2.11 4.22 0.17 0.03 1.11 -0.59 -3.47 116.67 116.04 1k85 s ASP 628 Ca 0.24 -1.19 0.26 0.00 0.18 0.00 0.00 52.55 52.04 1k85 s ASP 628 Cb -0.12 -0.45 0.90 0.00 1.07 0.00 0.00 42.92 44.32 1k85 s ASP 628 CO 0.16 -0.50 1.79 0.00 1.18 0.00 0.00 175.17 177.79 1k85 n ALA 629 N -1.13 2.21 1.66 5.23 0.00 -1.23 -2.95 120.51 124.29 1k85 n ALA 629 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1k85 n ALA 629 Cb 0.65 -1.46 0.38 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.73 2.55 -0.90 0.00 0.00 -1.26 -4.86 120.51 114.31 1k85 n ALA 630 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1k85 n ALA 630 Cb 0.39 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.87 0.84 3.65 0.00 0.00 -1.15 -5.01 105.19 104.38 1k85 n GLY 631 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.71 6.32 -0.04 1.61 0.01 -1.26 -4.92 114.94 113.94 1k85 s ASN 632 Ca 0.00 0.37 0.06 0.00 -0.71 0.00 0.00 52.86 52.58 1k85 s ASN 632 Cb 0.00 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1k85 s ASN 632 CO 0.00 -0.09 -0.24 0.54 -1.51 0.00 0.00 177.10 175.80 1k85 s VAL 633 N 1.52 1.96 0.00 1.60 0.11 -1.26 -1.54 120.40 122.79 1k85 s VAL 633 Ca 0.16 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1k85 s VAL 633 Cb -0.15 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1k85 s VAL 633 CO 0.08 0.55 0.00 -1.54 -3.33 0.00 0.00 175.10 170.86 1k85 n SER 634 N 2.82 -0.82 -4.07 3.54 3.41 -0.06 -4.63 113.62 113.80 1k85 n SER 634 Ca -0.17 -0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 57.89 1k85 n SER 634 Cb 0.52 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.59 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k85 n ALA 635 N -3.00 -0.21 -1.97 7.33 0.00 -1.26 -4.74 120.51 116.66 1k85 n ALA 635 Ca 0.00 -1.65 -0.35 0.00 0.00 0.00 0.00 53.44 51.43 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 -3.34 3.29 0.87 0.00 0.00 -1.26 -4.43 121.76 116.88 1k85 s ALA 636 Ca 0.60 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1k85 s ALA 636 Cb -0.03 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1k85 s ALA 636 CO 0.40 0.25 0.00 -1.13 0.00 0.00 0.00 175.76 175.29 1k85 n SER 637 N 0.33 0.00 -4.76 0.00 3.41 -0.25 -4.88 113.62 107.48 1k85 n SER 637 Ca 0.01 -0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 57.83 1k85 n SER 637 Cb 0.51 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.00 5.83 0.41 4.04 2.47 -1.26 -4.75 114.94 120.68 1k85 s ASN 638 Ca 0.00 2.45 -0.22 0.00 0.42 0.00 0.00 52.86 55.51 1k85 s ASN 638 Cb 0.00 -2.61 -0.11 0.00 -1.45 0.00 0.00 41.25 37.08 1k85 s ASN 638 CO 0.00 -1.16 0.95 0.00 -3.72 0.00 0.00 177.10 173.18 1k85 s ALA 639 N -1.48 3.07 0.25 1.71 0.00 -1.26 -4.48 121.76 119.57 1k85 s ALA 639 Ca 0.67 0.44 0.10 0.00 0.00 0.00 0.00 51.96 53.17 1k85 s ALA 639 Cb -0.32 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1k85 s ALA 639 CO 0.38 0.11 -0.07 0.54 0.00 0.00 0.00 175.76 176.73 1k85 s VAL 640 N -2.04 3.20 -0.24 0.00 0.11 0.97 -4.89 120.40 117.51 1k85 s VAL 640 Ca 0.60 -1.94 -0.03 0.00 -2.93 0.00 0.00 61.98 57.68 1k85 s VAL 640 Cb -0.12 -2.67 0.10 0.00 -1.53 0.00 0.00 36.38 32.16 1k85 s VAL 640 CO 0.16 -0.31 0.20 -0.55 -3.33 0.00 0.00 175.10 171.28 1k85 s SER 641 N -3.41 2.01 -0.02 3.54 0.15 -1.26 -2.72 113.70 112.00 1k85 s SER 641 Ca 0.29 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.39 1k85 s SER 641 Cb -0.07 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1k85 s SER 641 CO 0.18 -0.37 -0.21 0.68 1.20 0.00 0.00 173.24 174.72 1k85 s VAL 642 N 2.26 1.65 -0.38 4.45 -7.23 -0.76 -4.99 120.40 115.41 1k85 s VAL 642 Ca 0.07 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1k85 s VAL 642 Cb -0.15 -1.37 0.10 0.00 0.56 0.00 0.00 36.38 35.51 1k85 s VAL 642 CO -0.22 0.47 0.15 -0.75 -0.31 0.00 0.00 175.10 174.44 1k85 s LYS 643 N -0.49 2.03 0.00 4.82 2.36 -1.26 -1.74 119.74 125.46 1k85 s LYS 643 Ca 0.08 -1.71 0.32 0.00 -2.55 0.00 0.00 55.97 52.10 1k85 s LYS 643 Cb -0.08 -3.47 1.88 0.00 -1.05 0.00 0.00 37.83 35.12 1k85 s LYS 643 CO -0.01 -0.97 2.21 0.25 1.55 0.00 0.00 175.35 178.38