#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 0.94 -2.19 -0.41 0.00 -1.26 -4.99 117.12 109.22 1k85 n MET 558 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 57.70 57.27 1k85 n MET 558 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 31.85 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 -2.88 2.90 0.00 3.04 0.00 -1.26 -4.91 121.76 118.66 1k85 s ALA 559 Ca 0.02 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1k85 s ALA 559 Cb 0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1k85 s ALA 559 CO 0.74 -0.78 0.00 -0.35 0.00 0.00 0.00 175.76 175.37 1k85 n PRO 560 N -0.69 3.65 -4.84 0.00 -0.04 -1.26 -4.97 135.00 126.84 1k85 n PRO 560 Ca 0.08 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.22 1k85 n PRO 560 Cb 0.48 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 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 3.04 0.02 0.52 2.01 -1.26 -4.80 115.64 115.17 1k85 s THR 561 Ca 0.00 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1k85 s THR 561 Cb 0.00 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1k85 s THR 561 CO 0.00 0.56 1.04 0.00 -0.69 0.00 0.00 174.62 175.52 1k85 s ALA 562 N -0.17 3.22 1.16 7.40 0.00 -1.26 -4.52 121.76 127.59 1k85 s ALA 562 Ca -0.00 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 1k85 s ALA 562 Cb -0.13 -3.37 0.18 0.00 0.00 0.00 0.00 23.12 19.80 1k85 s ALA 562 CO 0.03 -0.28 0.32 -2.30 0.00 0.00 0.00 175.76 173.54 1k85 n PRO 563 N 3.88 -2.19 -3.61 0.00 -0.02 -1.26 -4.95 135.00 126.85 1k85 n PRO 563 Ca 0.07 -0.63 -0.08 0.00 -2.02 0.00 0.00 63.50 60.84 1k85 n PRO 563 Cb 0.50 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 1k85 n PRO 563 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1k85 s THR 564 N -2.24 0.00 -1.53 3.45 -1.32 -1.26 -4.28 115.64 108.46 1k85 s THR 564 Ca 0.58 -0.35 -0.05 0.00 -1.21 0.00 0.00 61.69 60.66 1k85 s THR 564 Cb -0.14 -1.43 0.01 0.00 -1.51 0.00 0.00 72.50 69.44 1k85 s THR 564 CO 0.62 0.00 0.53 -3.20 -2.21 0.00 0.00 174.62 170.36 1k85 n ASN 565 N -0.38 -5.76 -4.69 8.08 2.85 -1.26 -2.44 115.26 111.67 1k85 n ASN 565 Ca -0.10 -0.26 -0.32 0.00 -0.11 0.00 0.00 54.58 53.79 1k85 n ASN 565 Cb 0.62 -4.68 0.15 0.00 1.24 0.00 0.00 39.78 37.11 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 -6.59 2.94 0.00 1.20 2.96 -1.26 -4.53 118.68 113.41 1k85 s LEU 566 Ca 0.28 2.22 -0.12 0.00 -0.22 0.00 0.00 54.13 56.29 1k85 s LEU 566 Cb -0.13 -4.57 0.05 0.00 0.50 0.00 0.00 46.19 42.04 1k85 s LEU 566 CO 0.35 -2.93 0.64 0.00 -1.32 0.00 0.00 176.35 173.09 1k85 n ALA 567 N -3.93 -1.49 -3.72 5.97 0.00 0.91 -4.96 120.51 113.29 1k85 n ALA 567 Ca 0.12 -0.93 -0.14 0.00 0.00 0.00 0.00 53.44 52.49 1k85 n ALA 567 Cb 0.52 0.71 -0.14 0.00 0.00 0.00 0.00 19.45 20.53 1k85 n ALA 567 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k85 s SER 568 N -2.63 0.05 0.00 0.00 0.15 -1.26 -1.59 113.70 108.42 1k85 s SER 568 Ca 0.13 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1k85 s SER 568 Cb -0.03 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1k85 s SER 568 CO 0.08 -0.18 0.00 0.35 1.20 0.00 0.00 173.24 174.69 1k85 n THR 569 N 4.56 0.00 -2.70 6.45 -2.24 -0.64 -4.90 114.28 114.80 1k85 n THR 569 Ca -0.20 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1k85 n THR 569 Cb 0.51 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 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 -4.89 3.03 -0.52 6.98 0.00 -1.26 -4.92 121.76 120.18 1k85 s ALA 570 Ca 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.81 1k85 s ALA 570 Cb 0.00 -3.94 0.13 0.00 0.00 0.00 0.00 23.12 19.31 1k85 s ALA 570 CO 0.00 -2.68 0.26 -0.65 0.00 0.00 0.00 175.76 172.70 1k85 s GLN 571 N 4.61 1.98 0.00 0.00 -0.21 -1.26 -0.35 119.66 124.42 1k85 s GLN 571 Ca 0.35 -2.63 0.00 0.00 0.02 0.00 0.00 55.36 53.10 1k85 s GLN 571 Cb -0.10 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.60 1k85 s GLN 571 CO 0.20 -1.11 0.00 0.25 -2.12 0.00 0.00 175.29 172.50 1k85 n THR 572 N 3.09 0.00 -0.46 -0.19 -2.24 -0.19 -4.86 114.28 109.44 1k85 n THR 572 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 1k85 n THR 572 Cb 0.32 -1.72 0.25 0.00 -2.10 0.00 0.00 70.33 67.08 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 2.20 0.00 4.28 -2.24 -1.26 -4.53 114.28 112.72 1k85 n THR 573 Ca 0.00 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1k85 n THR 573 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.13 0.00 -4.69 3.42 3.41 -1.26 -4.04 113.62 110.59 1k85 n SER 574 Ca 0.27 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.53 1k85 n SER 574 Cb 1.07 0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 65.06 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 -1.47 5.33 0.06 4.04 1.04 -1.26 -2.89 113.70 118.55 1k85 s SER 575 Ca 0.00 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.63 1k85 s SER 575 Cb 0.00 -1.57 -0.03 0.00 0.10 0.00 0.00 66.02 64.52 1k85 s SER 575 CO 0.00 0.36 -0.14 -0.51 0.98 0.00 0.00 173.24 173.92 1k85 s ILE 576 N -0.75 1.13 -0.29 -1.02 2.07 -0.93 -1.02 121.20 120.39 1k85 s ILE 576 Ca 0.12 -1.19 -0.00 0.00 -1.41 0.00 0.00 60.65 58.16 1k85 s ILE 576 Cb -0.12 -1.06 0.05 0.00 0.13 0.00 0.00 42.46 41.47 1k85 s ILE 576 CO 0.02 -0.13 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.00 1k85 s THR 577 N -1.11 2.74 -0.16 4.00 2.01 0.52 -2.65 115.64 121.00 1k85 s THR 577 Ca -0.00 -1.47 -0.08 0.00 0.31 0.00 0.00 61.69 60.44 1k85 s THR 577 Cb -0.09 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1k85 s THR 577 CO 0.02 -0.09 0.13 -0.22 -0.69 0.00 0.00 174.62 173.77 1k85 s LEU 578 N 1.20 4.26 -0.01 4.42 2.96 -0.55 -1.62 118.68 129.35 1k85 s LEU 578 Ca -0.06 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1k85 s LEU 578 Cb -0.20 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 1k85 s LEU 578 CO -0.02 0.28 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.62 1k85 s SER 579 N -0.28 1.40 0.25 3.68 0.15 -0.62 -1.13 113.70 117.15 1k85 s SER 579 Ca 0.11 -0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.42 1k85 s SER 579 Cb -0.11 -0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1k85 s SER 579 CO 0.01 0.15 0.48 -1.66 1.20 0.00 0.00 173.24 173.41 1k85 s TRP 580 N -0.28 0.36 0.13 3.44 -2.14 -1.14 -0.06 118.94 119.25 1k85 s TRP 580 Ca 0.05 -0.73 -0.30 0.00 2.66 0.00 0.00 56.10 57.78 1k85 s TRP 580 Cb -0.05 0.19 -0.06 0.00 -3.10 0.00 0.00 33.47 30.45 1k85 s TRP 580 CO -0.00 -1.00 0.96 0.99 -2.66 0.00 0.00 176.95 175.24 1k85 s THR 581 N -4.01 4.44 1.24 0.66 2.01 -1.02 -4.75 115.64 114.21 1k85 s THR 581 Ca 0.22 2.07 -0.17 0.00 0.31 0.00 0.00 61.69 64.13 1k85 s THR 581 Cb -0.01 -4.32 0.30 0.00 0.01 0.00 0.00 72.50 68.48 1k85 s THR 581 CO 0.09 0.34 1.01 0.00 -0.69 0.00 0.00 174.62 175.37 1k85 s ALA 582 N -0.16 -0.31 0.58 7.40 0.00 -1.26 -4.02 121.76 123.99 1k85 s ALA 582 Ca 0.46 -0.51 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1k85 s ALA 582 Cb -0.24 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1k85 s ALA 582 CO 0.30 -3.97 1.03 -1.54 0.00 0.00 0.00 175.76 171.58 1k85 s SER 583 N -3.02 6.04 -0.11 0.00 1.04 -1.26 -4.84 113.70 111.54 1k85 s SER 583 Ca 0.68 1.69 0.09 0.00 0.48 0.00 0.00 55.95 58.89 1k85 s SER 583 Cb -0.18 -2.52 0.46 0.00 0.10 0.00 0.00 66.02 63.88 1k85 s SER 583 CO 0.61 -0.99 1.24 0.35 0.98 0.00 0.00 173.24 175.42 1k85 n THR 584 N -2.06 1.41 0.01 2.02 -2.24 -1.26 -4.44 114.28 107.71 1k85 n THR 584 Ca 0.08 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1k85 n THR 584 Cb 0.53 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.43 0.05 -2.54 3.42 9.92 -1.26 -5.02 116.55 121.55 1k85 n ASP 585 Ca 0.16 0.02 -0.17 0.00 -0.53 0.00 0.00 54.79 54.27 1k85 n ASP 585 Cb 0.72 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 41.19 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 -2.57 -4.79 0.02 -2.24 2.85 -1.26 -4.83 115.26 102.44 1k85 n ASN 586 Ca 0.00 0.04 0.12 0.00 -0.11 0.00 0.00 54.58 54.63 1k85 n ASN 586 Cb 0.00 -4.01 0.21 0.00 1.24 0.00 0.00 39.78 37.23 1k85 n ASN 586 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1k85 n VAL 587 N -3.74 0.14 -1.35 3.44 3.14 -1.26 -4.50 118.33 114.19 1k85 n VAL 587 Ca -0.17 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1k85 n VAL 587 Cb 0.63 0.09 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 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 1.43 1.00 3.74 7.55 0.00 -1.26 -5.11 105.19 112.54 1k85 n GLY 588 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 2.34 -0.04 1.61 1.01 -1.26 -2.21 120.40 121.85 1k85 s VAL 589 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1k85 s VAL 589 Cb 0.00 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 1k85 s VAL 589 CO 0.00 0.03 0.12 1.07 0.00 0.00 0.00 175.10 176.32 1k85 n THR 590 N 2.89 0.21 -3.85 3.92 5.66 -0.85 -4.88 114.28 117.37 1k85 n THR 590 Ca 0.10 -0.24 -0.01 0.00 -3.05 0.00 0.00 64.05 60.85 1k85 n THR 590 Cb 0.38 -0.14 0.01 0.00 -1.55 0.00 0.00 70.33 69.04 1k85 n THR 590 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k85 n GLY 591 N 2.23 0.61 3.10 1.09 0.00 -1.24 -4.76 105.19 106.23 1k85 n GLY 591 Ca -0.06 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.71 1.66 -0.27 1.61 1.51 -0.11 -2.33 117.35 116.71 1k85 s TYR 592 Ca 0.20 -0.52 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1k85 s TYR 592 Cb -0.02 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1k85 s TYR 592 CO 0.03 -0.21 0.05 0.16 -1.11 0.00 0.00 175.55 174.48 1k85 s ASP 593 N 0.22 4.98 -0.17 2.29 1.47 -0.05 -1.50 116.67 123.92 1k85 s ASP 593 Ca -0.07 -0.49 -0.10 0.00 1.18 0.00 0.00 52.55 53.07 1k85 s ASP 593 Cb -0.13 -1.87 -0.05 0.00 -0.34 0.00 0.00 42.92 40.54 1k85 s ASP 593 CO 0.03 -0.11 0.16 0.54 0.68 0.00 0.00 175.17 176.47 1k85 s VAL 594 N 1.53 5.41 0.44 2.11 0.11 -1.12 -0.57 120.40 128.31 1k85 s VAL 594 Ca 0.04 0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.42 1k85 s VAL 594 Cb -0.16 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 1k85 s VAL 594 CO 0.02 0.48 0.60 -0.31 -3.33 0.00 0.00 175.10 172.56 1k85 s TYR 595 N 0.00 2.75 -0.38 1.54 1.51 0.27 -0.90 117.35 122.14 1k85 s TYR 595 Ca 0.11 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1k85 s TYR 595 Cb -0.12 -2.41 0.15 0.00 -0.11 0.00 0.00 41.96 39.48 1k85 s TYR 595 CO 0.01 -0.49 0.27 1.21 -1.11 0.00 0.00 175.55 175.43 1k85 s ASN 596 N -4.37 2.23 0.00 2.29 2.47 0.11 -1.64 114.94 116.02 1k85 s ASN 596 Ca 0.56 -2.56 0.00 0.00 0.42 0.00 0.00 52.86 51.28 1k85 s ASN 596 Cb -0.10 -0.38 0.00 0.00 -1.45 0.00 0.00 41.25 39.32 1k85 s ASN 596 CO 0.34 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 174.08 1k85 n GLY 597 N 3.52 2.05 0.00 1.21 0.00 -0.38 -3.45 105.19 108.14 1k85 n GLY 597 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.19 2.61 -2.24 -1.26 -5.09 114.28 103.10 1k85 n THR 598 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1k85 n THR 598 Cb 0.00 0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 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 2.26 0.25 6.98 0.00 -1.22 -5.10 121.76 124.93 1k85 s ALA 599 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 1k85 s ALA 599 Cb 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 23.12 22.28 1k85 s ALA 599 CO 0.00 0.45 1.63 -0.11 0.00 0.00 0.00 175.76 177.73 1k85 n LEU 600 N 2.78 4.07 0.00 0.00 0.00 -1.26 -0.71 117.00 121.88 1k85 n LEU 600 Ca -0.17 1.11 0.00 0.00 0.00 0.00 0.00 56.01 56.95 1k85 n LEU 600 Cb 0.52 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 42.37 1k85 n LEU 600 CO 0.25 0.09 0.00 0.00 0.00 0.00 0.00 177.39 177.74 1k85 n ALA 601 N 2.85 0.00 -1.97 1.96 0.00 -0.08 -4.81 120.51 118.46 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 0.35 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 1.46 2.37 -0.03 0.00 -1.32 -1.24 -4.97 115.64 111.91 1k85 s THR 602 Ca 0.00 -0.54 -0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1k85 s THR 602 Cb 0.00 -2.83 0.03 0.00 -1.51 0.00 0.00 72.50 68.19 1k85 s THR 602 CO 0.00 0.00 0.03 -0.89 -2.21 0.00 0.00 174.62 171.55 1k85 s THR 603 N -3.04 0.02 0.00 5.08 2.01 -1.26 -2.78 115.64 115.67 1k85 s THR 603 Ca 0.62 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1k85 s THR 603 Cb -0.08 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1k85 s THR 603 CO 0.42 0.14 0.00 1.33 -0.69 0.00 0.00 174.62 175.82 1k85 n VAL 604 N 4.50 0.00 -0.87 3.82 0.24 -0.56 -4.99 118.33 120.47 1k85 n VAL 604 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1k85 n VAL 604 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 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 0.00 0.03 -1.49 3.34 -2.24 -1.26 -0.93 114.28 111.72 1k85 n THR 605 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1k85 n THR 605 Cb 0.00 1.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.01 5.22 1.66 3.38 0.00 -1.26 -4.68 105.19 109.50 1k85 n GLY 606 Ca 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 2.79 -3.71 2.61 -2.24 -1.26 -4.75 114.28 107.72 1k85 n THR 607 Ca 0.00 -2.00 -0.13 0.00 -2.27 0.00 0.00 64.05 59.65 1k85 n THR 607 Cb 0.00 -0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.09 -0.14 -0.01 4.28 -4.23 -1.25 -2.88 115.64 108.32 1k85 s THR 608 Ca 0.51 0.19 0.08 0.00 -1.18 0.00 0.00 61.69 61.29 1k85 s THR 608 Cb 0.42 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.85 1k85 s THR 608 CO 0.09 0.08 -0.26 0.00 -0.54 0.00 0.00 174.62 173.99 1k85 s ALA 609 N 1.57 2.17 -0.24 3.99 0.00 -0.28 -4.76 121.76 124.21 1k85 s ALA 609 Ca -0.06 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 1k85 s ALA 609 Cb -0.11 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1k85 s ALA 609 CO -0.08 0.53 -0.09 0.99 0.00 0.00 0.00 175.76 177.10 1k85 s THR 610 N -0.63 2.61 -0.30 0.00 2.01 -1.26 -1.48 115.64 116.60 1k85 s THR 610 Ca 0.10 -1.12 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1k85 s THR 610 Cb -0.10 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.13 1k85 s THR 610 CO -0.01 0.21 0.01 -0.63 -0.69 0.00 0.00 174.62 173.51 1k85 s ILE 611 N 1.28 3.08 0.24 1.82 1.01 -1.09 -4.87 121.20 122.67 1k85 s ILE 611 Ca -0.01 -1.32 0.09 0.00 0.00 0.00 0.00 60.65 59.42 1k85 s ILE 611 Cb -0.17 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1k85 s ILE 611 CO -0.06 -0.09 -0.00 -0.44 0.00 0.00 0.00 174.94 174.35 1k85 s SER 612 N 1.28 4.59 0.00 3.58 0.01 -1.25 -2.20 113.70 119.71 1k85 s SER 612 Ca -0.04 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1k85 s SER 612 Cb -0.19 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.15 1k85 s SER 612 CO -0.01 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1k85 n GLY 613 N -0.68 1.52 1.56 3.44 0.00 -1.14 -4.99 105.19 104.90 1k85 n GLY 613 Ca -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1k85 n GLY 613 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k85 n LEU 614 N 0.00 0.00 -4.05 0.99 4.77 -1.22 -5.10 117.00 112.39 1k85 n LEU 614 Ca 0.00 -0.83 -0.31 0.00 -0.03 0.00 0.00 56.01 54.84 1k85 n LEU 614 Cb 0.13 -0.27 -0.16 0.00 -2.33 0.00 0.00 43.42 40.79 1k85 n LEU 614 CO 0.00 -0.71 -0.50 0.00 -1.33 0.00 0.00 177.39 174.85 1k85 s ALA 615 N -3.02 1.99 0.92 -1.18 0.00 -1.26 -4.78 121.76 114.43 1k85 s ALA 615 Ca 0.27 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1k85 s ALA 615 Cb -0.01 -1.08 0.12 0.00 0.00 0.00 0.00 23.12 22.14 1k85 s ALA 615 CO 0.18 -0.35 0.95 0.00 0.00 0.00 0.00 175.76 176.53 1k85 n ALA 616 N 4.69 -1.27 -3.40 0.00 0.00 -1.26 -3.20 120.51 116.08 1k85 n ALA 616 Ca -0.18 -0.56 -0.25 0.00 0.00 0.00 0.00 53.44 52.45 1k85 n ALA 616 Cb 0.50 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.90 1k85 n ALA 616 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k85 n ASP 617 N -3.41 -5.58 -3.94 0.00 8.00 -0.40 -4.97 116.55 106.26 1k85 n ASP 617 Ca 0.11 -0.46 -0.10 0.00 0.71 0.00 0.00 54.79 55.04 1k85 n ASP 617 Cb 0.52 -4.47 -0.12 0.00 -0.02 0.00 0.00 41.12 37.03 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 -3.20 0.07 0.06 -3.53 2.01 -1.19 -5.00 115.64 104.85 1k85 s THR 618 Ca 0.46 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.68 1k85 s THR 618 Cb -0.22 -0.18 -0.06 0.00 0.01 0.00 0.00 72.50 72.05 1k85 s THR 618 CO 0.57 -0.32 0.56 -0.55 -0.69 0.00 0.00 174.62 174.19 1k85 s SER 619 N -0.95 7.04 -0.03 3.53 0.15 -1.26 -2.52 113.70 119.66 1k85 s SER 619 Ca -0.10 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.77 1k85 s SER 619 Cb -0.07 -2.35 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1k85 s SER 619 CO -0.01 0.26 0.05 -0.31 1.20 0.00 0.00 173.24 174.43 1k85 s TYR 620 N -0.99 0.03 -0.24 3.44 2.02 -0.96 -5.01 117.35 115.64 1k85 s TYR 620 Ca 0.29 0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 57.10 1k85 s TYR 620 Cb -0.19 -0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.98 1k85 s TYR 620 CO 0.18 -0.14 0.14 0.95 -1.57 0.00 0.00 175.55 175.11 1k85 s THR 621 N 1.59 5.11 0.40 -0.71 -4.23 -1.26 -1.96 115.64 114.58 1k85 s THR 621 Ca -0.03 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.65 1k85 s THR 621 Cb -0.13 -3.39 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 1k85 s THR 621 CO -0.03 0.34 0.11 -0.36 -0.54 0.00 0.00 174.62 174.14 1k85 s PHE 622 N 1.20 2.58 0.15 3.99 0.08 -0.89 -1.25 117.98 123.84 1k85 s PHE 622 Ca 0.07 -0.58 -0.23 0.00 0.12 0.00 0.00 56.93 56.31 1k85 s PHE 622 Cb -0.14 -1.84 0.07 0.00 -0.57 0.00 0.00 43.02 40.54 1k85 s PHE 622 CO 0.05 0.30 0.58 0.95 -0.10 0.00 0.00 175.22 177.00 1k85 s THR 623 N -2.61 0.01 0.11 0.64 -4.23 -0.65 -2.33 115.64 106.58 1k85 s THR 623 Ca 0.39 -0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.93 1k85 s THR 623 Cb 0.05 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 1k85 s THR 623 CO 0.21 -0.04 -0.26 0.68 -0.54 0.00 0.00 174.62 174.68 1k85 s VAL 624 N -3.66 2.11 0.04 2.29 -7.23 -1.26 -0.57 120.40 112.13 1k85 s VAL 624 Ca 0.01 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1k85 s VAL 624 Cb -0.01 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1k85 s VAL 624 CO -0.12 0.12 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.23 1k85 s LYS 625 N -1.85 0.56 -0.05 4.82 1.02 0.26 -1.79 119.74 122.71 1k85 s LYS 625 Ca 0.12 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 55.05 1k85 s LYS 625 Cb -0.10 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 1k85 s LYS 625 CO 0.05 -0.10 -0.07 0.00 -0.92 0.00 0.00 175.35 174.30 1k85 s ALA 626 N -3.40 2.98 0.10 5.17 0.00 -1.26 -0.87 121.76 124.48 1k85 s ALA 626 Ca 0.02 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1k85 s ALA 626 Cb 0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1k85 s ALA 626 CO -0.08 0.58 -0.12 -1.59 0.00 0.00 0.00 175.76 174.55 1k85 s LYS 627 N -0.99 0.90 0.48 0.00 -2.85 -0.98 -1.23 119.74 115.07 1k85 s LYS 627 Ca 0.14 -1.13 0.05 0.00 -1.00 0.00 0.00 55.97 54.03 1k85 s LYS 627 Cb -0.11 -0.74 -0.02 0.00 -2.06 0.00 0.00 37.83 34.91 1k85 s LYS 627 CO 0.03 0.14 0.19 0.16 0.10 0.00 0.00 175.35 175.98 1k85 s ASP 628 N -2.26 4.39 -1.02 0.03 -4.77 -0.79 -2.00 116.67 110.24 1k85 s ASP 628 Ca 0.05 -1.29 -0.08 0.00 -3.30 0.00 0.00 52.55 47.93 1k85 s ASP 628 Cb -0.05 0.06 -0.09 0.00 -1.09 0.00 0.00 42.92 41.74 1k85 s ASP 628 CO 0.02 -0.79 3.04 0.00 0.70 0.00 0.00 175.17 178.14 1k85 n ALA 629 N -1.39 7.02 0.00 2.11 0.00 -0.94 -3.55 120.51 123.76 1k85 n ALA 629 Ca -0.06 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1k85 n ALA 629 Cb 0.65 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 2.73 0.02 0.00 0.00 0.00 -1.26 -5.04 120.51 116.96 1k85 n ALA 630 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1k85 n ALA 630 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.48 -0.87 3.82 0.00 0.00 -1.23 -5.14 105.19 100.29 1k85 n GLY 631 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.04 6.99 0.04 1.61 -0.87 -1.26 -4.94 114.94 116.47 1k85 s ASN 632 Ca 0.00 1.33 0.02 0.00 -1.57 0.00 0.00 52.86 52.64 1k85 s ASN 632 Cb 0.00 -2.39 -0.02 0.00 -0.02 0.00 0.00 41.25 38.82 1k85 s ASN 632 CO 0.00 0.04 -0.07 0.68 -2.57 0.00 0.00 177.10 175.17 1k85 s VAL 633 N -1.53 0.52 0.00 1.60 -7.23 -1.26 -1.89 120.40 110.61 1k85 s VAL 633 Ca 0.42 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1k85 s VAL 633 Cb -0.16 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.20 1k85 s VAL 633 CO 0.20 -0.33 0.00 -1.20 -0.31 0.00 0.00 175.10 173.47 1k85 n SER 634 N 1.63 0.00 -4.95 4.85 7.64 -0.36 -4.73 113.62 117.69 1k85 n SER 634 Ca -0.22 -0.12 -0.23 0.00 1.01 0.00 0.00 58.87 59.31 1k85 n SER 634 Cb 0.55 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k85 s ALA 635 N -3.28 3.59 0.14 -0.43 0.00 -1.26 -4.72 121.76 115.79 1k85 s ALA 635 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 51.96 50.59 1k85 s ALA 635 Cb 0.00 -2.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 1k85 s ALA 635 CO 0.00 -0.94 0.70 0.00 0.00 0.00 0.00 175.76 175.53 1k85 s ALA 636 N -2.94 3.50 1.01 0.00 0.00 -1.26 -4.38 121.76 117.68 1k85 s ALA 636 Ca 0.58 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 1k85 s ALA 636 Cb -0.10 -2.84 0.08 0.00 0.00 0.00 0.00 23.12 20.26 1k85 s ALA 636 CO 0.41 0.33 0.47 -1.13 0.00 0.00 0.00 175.76 175.84 1k85 n SER 637 N 1.59 -0.13 -4.70 0.00 3.41 -0.74 -4.95 113.62 108.09 1k85 n SER 637 Ca -0.07 -1.12 -0.34 0.00 -0.26 0.00 0.00 58.87 57.08 1k85 n SER 637 Cb 0.49 -0.36 0.12 0.00 -0.26 0.00 0.00 64.21 64.20 1k85 n SER 637 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k85 s ASN 638 N -2.72 3.73 0.49 4.04 2.20 -1.26 -4.70 114.94 116.73 1k85 s ASN 638 Ca 0.27 2.41 -0.16 0.00 -0.94 0.00 0.00 52.86 54.44 1k85 s ASN 638 Cb -0.01 -2.59 -0.08 0.00 -2.00 0.00 0.00 41.25 36.57 1k85 s ASN 638 CO 0.19 -2.58 0.95 0.00 -2.94 0.00 0.00 177.10 172.73 1k85 s ALA 639 N -2.03 3.10 -0.19 3.54 0.00 -1.26 -4.67 121.76 120.25 1k85 s ALA 639 Ca 0.75 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1k85 s ALA 639 Cb -0.30 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1k85 s ALA 639 CO 0.49 -0.17 0.06 0.14 0.00 0.00 0.00 175.76 176.28 1k85 s VAL 640 N -2.55 0.26 -0.42 0.00 -7.23 -0.98 -4.97 120.40 104.50 1k85 s VAL 640 Ca 0.58 -0.44 -0.21 0.00 -1.81 0.00 0.00 61.98 60.10 1k85 s VAL 640 Cb -0.10 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 35.99 1k85 s VAL 640 CO 0.30 -0.28 0.69 -0.94 -0.31 0.00 0.00 175.10 174.55 1k85 s SER 641 N 1.97 6.38 0.14 4.85 1.04 -1.26 -2.09 113.70 124.73 1k85 s SER 641 Ca 0.01 -0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.37 1k85 s SER 641 Cb -0.17 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1k85 s SER 641 CO -0.11 -0.78 -0.07 0.68 0.98 0.00 0.00 173.24 173.95 1k85 s VAL 642 N 2.94 3.45 -0.34 5.02 -7.23 -0.83 -4.97 120.40 118.43 1k85 s VAL 642 Ca 0.25 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1k85 s VAL 642 Cb -0.14 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.20 1k85 s VAL 642 CO 0.19 -0.01 0.07 -0.75 -0.31 0.00 0.00 175.10 174.30 1k85 s LYS 643 N -2.58 2.28 0.00 4.82 2.20 -1.26 -2.26 119.74 122.93 1k85 s LYS 643 Ca 0.24 -1.45 0.32 0.00 -0.36 0.00 0.00 55.97 54.72 1k85 s LYS 643 Cb -0.10 -3.33 1.86 0.00 -1.51 0.00 0.00 37.83 34.75 1k85 s LYS 643 CO 0.16 -0.78 2.20 0.25 -0.36 0.00 0.00 175.35 176.82