#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 -1.53 1.57 2.00 -1.26 -4.73 117.12 113.17 1k85 n MET 558 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 1k85 n MET 558 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.29 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 -1.00 2.33 0.40 3.04 0.00 -1.26 -4.93 121.76 120.34 1k85 s ALA 559 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1k85 s ALA 559 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1k85 s ALA 559 CO 0.00 -1.54 0.00 -0.35 0.00 0.00 0.00 175.76 173.87 1k85 n PRO 560 N -2.85 3.14 -4.16 0.00 -0.04 -1.26 -4.91 135.00 124.92 1k85 n PRO 560 Ca 0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 1k85 n PRO 560 Cb 0.52 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.55 0.18 0.52 2.01 -1.26 -4.72 115.64 114.92 1k85 s THR 561 Ca 0.00 -0.78 -0.32 0.00 0.31 0.00 0.00 61.69 60.90 1k85 s THR 561 Cb 0.00 -2.10 -0.10 0.00 0.01 0.00 0.00 72.50 70.30 1k85 s THR 561 CO 0.00 0.50 1.60 0.00 -0.69 0.00 0.00 174.62 176.03 1k85 s ALA 562 N 1.24 3.81 1.09 7.40 0.00 -1.26 -4.53 121.76 129.51 1k85 s ALA 562 Ca 0.03 1.42 -0.21 0.00 0.00 0.00 0.00 51.96 53.19 1k85 s ALA 562 Cb -0.14 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1k85 s ALA 562 CO -0.07 -0.81 -0.41 -2.30 0.00 0.00 0.00 175.76 172.17 1k85 n PRO 563 N 3.94 -1.23 -3.48 0.00 -0.02 -1.26 -4.90 135.00 128.04 1k85 n PRO 563 Ca 0.14 -0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.15 1k85 n PRO 563 Cb 0.38 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 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 -2.17 0.02 -1.09 3.45 -1.32 -1.21 -4.52 115.64 108.80 1k85 s THR 564 Ca 0.51 -0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 1k85 s THR 564 Cb -0.06 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1k85 s THR 564 CO 0.66 -0.07 0.87 -3.20 -2.21 0.00 0.00 174.62 170.66 1k85 n ASN 565 N -0.23 -5.98 -4.88 8.08 4.05 -1.26 -1.09 115.26 113.95 1k85 n ASN 565 Ca -0.17 -0.83 -0.30 0.00 0.45 0.00 0.00 54.58 53.73 1k85 n ASN 565 Cb 0.64 -4.47 -0.03 0.00 1.23 0.00 0.00 39.78 37.16 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1k85 s LEU 566 N -5.85 3.77 0.33 1.20 2.96 -1.26 -3.81 118.68 116.01 1k85 s LEU 566 Ca 0.45 1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 55.34 1k85 s LEU 566 Cb -0.10 -4.06 0.05 0.00 0.50 0.00 0.00 46.19 42.58 1k85 s LEU 566 CO 0.79 -0.45 0.79 0.00 -1.32 0.00 0.00 176.35 176.16 1k85 s ALA 567 N -2.46 -0.99 -0.06 5.97 0.00 0.67 -4.95 121.76 119.94 1k85 s ALA 567 Ca 0.52 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1k85 s ALA 567 Cb -0.10 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1k85 s ALA 567 CO 0.34 -1.01 -0.20 -1.54 0.00 0.00 0.00 175.76 173.35 1k85 s SER 568 N -3.03 2.51 0.00 0.00 1.04 -1.26 -1.48 113.70 111.48 1k85 s SER 568 Ca 0.14 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1k85 s SER 568 Cb -0.05 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.28 1k85 s SER 568 CO 0.09 0.17 0.00 0.35 0.98 0.00 0.00 173.24 174.83 1k85 n THR 569 N 3.18 0.00 -2.96 2.02 -2.24 -0.83 -4.94 114.28 108.51 1k85 n THR 569 Ca -0.18 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 1k85 n THR 569 Cb 0.53 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.63 3.26 -0.11 6.98 0.00 -1.26 -4.91 121.76 122.10 1k85 s ALA 570 Ca 0.00 -2.11 -0.00 0.00 0.00 0.00 0.00 51.96 49.84 1k85 s ALA 570 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 1k85 s ALA 570 CO 0.00 -2.65 -0.08 -1.14 0.00 0.00 0.00 175.76 171.88 1k85 s GLN 571 N 3.37 3.16 0.00 0.00 0.74 -1.26 -0.28 119.66 125.39 1k85 s GLN 571 Ca 0.20 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1k85 s GLN 571 Cb -0.18 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.26 1k85 s GLN 571 CO 0.06 0.42 0.00 0.25 -0.55 0.00 0.00 175.29 175.47 1k85 n THR 572 N 2.94 0.00 -0.43 -0.34 -2.24 -0.43 -4.99 114.28 108.80 1k85 n THR 572 Ca -0.18 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 1k85 n THR 572 Cb 0.53 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.97 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 2.21 0.00 4.28 -2.24 -1.26 -4.49 114.28 112.78 1k85 n THR 573 Ca 0.00 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1k85 n THR 573 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 -0.03 0.00 -4.32 3.42 3.41 -1.26 -4.22 113.62 110.62 1k85 n SER 574 Ca 0.29 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.57 1k85 n SER 574 Cb 1.09 0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 65.18 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 -1.78 3.93 0.05 4.04 1.04 -1.25 -2.89 113.70 116.83 1k85 s SER 575 Ca 0.00 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1k85 s SER 575 Cb 0.00 -1.61 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 1k85 s SER 575 CO 0.00 0.11 -0.26 -0.51 0.98 0.00 0.00 173.24 173.56 1k85 s ILE 576 N 0.69 2.10 -0.15 -1.02 2.07 -0.98 -1.31 121.20 122.59 1k85 s ILE 576 Ca -0.06 -1.40 -0.06 0.00 -1.41 0.00 0.00 60.65 57.72 1k85 s ILE 576 Cb -0.15 -1.81 -0.04 0.00 0.13 0.00 0.00 42.46 40.59 1k85 s ILE 576 CO 0.02 0.33 0.05 -0.89 -1.91 0.00 0.00 174.94 172.54 1k85 s THR 577 N -0.82 4.66 0.04 4.00 2.01 0.62 -2.62 115.64 123.52 1k85 s THR 577 Ca 0.11 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.11 1k85 s THR 577 Cb -0.10 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1k85 s THR 577 CO 0.02 0.51 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.00 1k85 s LEU 578 N -0.04 2.15 -0.00 4.42 2.96 -0.83 -1.97 118.68 125.37 1k85 s LEU 578 Ca 0.05 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1k85 s LEU 578 Cb -0.12 -1.18 0.00 0.00 0.50 0.00 0.00 46.19 45.40 1k85 s LEU 578 CO 0.01 0.23 -0.00 -0.55 -1.32 0.00 0.00 176.35 174.72 1k85 s SER 579 N -1.12 0.10 0.25 3.68 0.15 -0.55 -1.19 113.70 115.03 1k85 s SER 579 Ca 0.10 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 1k85 s SER 579 Cb -0.09 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1k85 s SER 579 CO 0.02 -0.01 0.53 -1.66 1.20 0.00 0.00 173.24 173.31 1k85 s TRP 580 N 0.13 0.23 -0.05 3.44 -2.14 -1.22 -0.24 118.94 119.10 1k85 s TRP 580 Ca -0.01 -0.61 -0.28 0.00 2.66 0.00 0.00 56.10 57.85 1k85 s TRP 580 Cb -0.02 0.30 -0.03 0.00 -3.10 0.00 0.00 33.47 30.62 1k85 s TRP 580 CO -0.00 -1.03 0.93 0.99 -2.66 0.00 0.00 176.95 175.17 1k85 s THR 581 N -3.99 4.88 1.17 0.66 2.01 -0.25 -4.87 115.64 115.25 1k85 s THR 581 Ca 0.19 1.92 -0.13 0.00 0.31 0.00 0.00 61.69 63.98 1k85 s THR 581 Cb -0.02 -4.26 0.29 0.00 0.01 0.00 0.00 72.50 68.52 1k85 s THR 581 CO 0.08 0.13 1.03 0.00 -0.69 0.00 0.00 174.62 175.16 1k85 s ALA 582 N 1.31 -0.49 -0.52 7.40 0.00 -1.26 -3.31 121.76 124.89 1k85 s ALA 582 Ca 0.48 -0.16 0.21 0.00 0.00 0.00 0.00 51.96 52.48 1k85 s ALA 582 Cb -0.19 -3.23 0.93 0.00 0.00 0.00 0.00 23.12 20.62 1k85 s ALA 582 CO 0.23 -3.86 1.64 -1.13 0.00 0.00 0.00 175.76 172.64 1k85 n SER 583 N -4.92 0.54 -0.27 0.00 3.41 -1.26 -4.78 113.62 106.33 1k85 n SER 583 Ca 0.03 0.65 -0.03 0.00 -0.26 0.00 0.00 58.87 59.26 1k85 n SER 583 Cb 0.54 -0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.12 0.00 -0.01 6.66 -1.04 -1.26 -4.77 114.28 111.74 1k85 n THR 584 Ca 0.02 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1k85 n THR 584 Cb 0.18 -1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 67.62 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 -0.92 0.76 -1.60 8.00 9.92 -1.26 -4.98 116.55 126.47 1k85 n ASP 585 Ca -0.03 0.12 -0.17 0.00 -0.53 0.00 0.00 54.79 54.18 1k85 n ASP 585 Cb 0.48 -0.40 -0.06 0.00 -0.64 0.00 0.00 41.12 40.50 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 -3.23 -4.45 0.26 -2.24 5.15 -1.26 -4.80 115.26 104.68 1k85 n ASN 586 Ca -0.03 0.37 0.12 0.00 -0.60 0.00 0.00 54.58 54.43 1k85 n ASN 586 Cb 0.13 -3.99 0.68 0.00 -0.53 0.00 0.00 39.78 36.07 1k85 n ASN 586 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1k85 h VAL 587 N 0.00 0.63 0.00 3.44 3.04 -1.99 -3.37 116.25 117.99 1k85 h VAL 587 Ca -0.35 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1k85 h VAL 587 Cb 1.11 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1k85 h VAL 587 CO 0.50 0.14 0.00 0.61 -1.01 0.00 0.00 177.57 177.80 1k85 n GLY 588 N -0.64 0.86 3.76 3.17 0.00 -1.26 -5.13 105.19 105.94 1k85 n GLY 588 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 2.56 -0.05 1.61 1.01 -1.26 -2.96 120.40 121.31 1k85 s VAL 589 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1k85 s VAL 589 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1k85 s VAL 589 CO 0.00 -0.00 -0.04 0.35 0.00 0.00 0.00 175.10 175.40 1k85 n THR 590 N -0.75 0.32 -3.84 3.92 -2.24 -1.08 -4.89 114.28 105.73 1k85 n THR 590 Ca 0.09 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1k85 n THR 590 Cb 0.46 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -4.44 0.11 0.11 3.38 0.00 -1.25 -4.77 107.32 100.46 1k85 s GLY 591 Ca -0.07 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.39 1k85 s GLY 591 CO 0.13 1.16 -0.22 -0.19 0.00 0.00 0.00 173.10 173.98 1k85 s TYR 592 N -2.49 2.44 -0.17 1.90 1.51 0.03 -2.65 117.35 117.92 1k85 s TYR 592 Ca 0.18 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1k85 s TYR 592 Cb -0.03 -1.32 0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1k85 s TYR 592 CO 0.06 0.34 -0.09 -0.51 -1.11 0.00 0.00 175.55 174.25 1k85 s ASP 593 N -2.01 2.95 -0.14 2.29 1.01 -1.08 -1.35 116.67 118.35 1k85 s ASP 593 Ca 0.16 -0.68 -0.08 0.00 0.71 0.00 0.00 52.55 52.66 1k85 s ASP 593 Cb -0.10 -1.07 -0.04 0.00 1.01 0.00 0.00 42.92 42.71 1k85 s ASP 593 CO 0.08 -0.14 0.14 0.54 0.21 0.00 0.00 175.17 175.99 1k85 s VAL 594 N 1.53 5.48 0.41 -1.27 0.11 -1.11 -1.85 120.40 123.70 1k85 s VAL 594 Ca 0.01 0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.34 1k85 s VAL 594 Cb -0.15 -3.42 0.01 0.00 -1.53 0.00 0.00 36.38 31.29 1k85 s VAL 594 CO -0.08 0.58 0.56 -0.31 -3.33 0.00 0.00 175.10 172.51 1k85 s TYR 595 N -0.69 2.89 -0.41 1.54 1.51 0.22 -1.46 117.35 120.96 1k85 s TYR 595 Ca 0.13 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1k85 s TYR 595 Cb -0.12 -2.31 0.14 0.00 -0.11 0.00 0.00 41.96 39.57 1k85 s TYR 595 CO 0.03 -0.35 0.25 1.21 -1.11 0.00 0.00 175.55 175.58 1k85 s ASN 596 N -4.31 3.08 0.00 2.29 3.04 -0.35 -3.13 114.94 115.56 1k85 s ASN 596 Ca 0.53 -2.55 0.00 0.00 0.04 0.00 0.00 52.86 50.87 1k85 s ASN 596 Cb -0.10 -0.70 0.00 0.00 -1.54 0.00 0.00 41.25 38.91 1k85 s ASN 596 CO 0.33 -0.26 0.00 0.61 -3.04 0.00 0.00 177.10 174.74 1k85 n GLY 597 N 3.59 2.17 0.00 1.21 0.00 -0.48 -4.05 105.19 107.63 1k85 n GLY 597 Ca 0.14 -0.44 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 -2.47 2.61 -2.24 -1.26 -5.01 114.28 105.91 1k85 n THR 598 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1k85 n THR 598 Cb 0.00 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.00 3.60 0.12 6.98 0.00 -1.26 -5.05 121.76 125.16 1k85 s ALA 599 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 1k85 s ALA 599 Cb 0.00 -2.25 -0.07 0.00 0.00 0.00 0.00 23.12 20.80 1k85 s ALA 599 CO 0.00 -1.05 1.14 -1.17 0.00 0.00 0.00 175.76 174.67 1k85 s LEU 600 N -4.99 4.43 0.00 0.00 1.98 -1.26 -1.21 118.68 117.62 1k85 s LEU 600 Ca 0.60 2.04 0.00 0.00 -2.89 0.00 0.00 54.13 53.88 1k85 s LEU 600 Cb -0.10 -3.59 0.00 0.00 0.66 0.00 0.00 46.19 43.16 1k85 s LEU 600 CO 0.41 -0.33 0.00 0.00 -1.89 0.00 0.00 176.35 174.54 1k85 n ALA 601 N 3.08 0.00 -2.06 5.97 0.00 -0.53 -4.75 120.51 122.22 1k85 n ALA 601 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 1k85 n ALA 601 Cb 0.46 0.00 0.04 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 1.73 3.03 -0.04 0.00 -1.32 -1.18 -4.97 115.64 112.88 1k85 s THR 602 Ca 0.00 -0.47 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 1k85 s THR 602 Cb 0.00 -3.17 0.01 0.00 -1.51 0.00 0.00 72.50 67.83 1k85 s THR 602 CO 0.00 -0.14 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.29 1k85 s THR 603 N -2.83 0.85 0.15 5.08 2.01 -1.26 -2.75 115.64 116.89 1k85 s THR 603 Ca 0.55 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.22 1k85 s THR 603 Cb -0.10 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1k85 s THR 603 CO 0.40 0.27 0.11 1.33 -0.69 0.00 0.00 174.62 176.04 1k85 n VAL 604 N 3.52 0.00 0.00 3.82 0.24 -0.46 -4.91 118.33 120.55 1k85 n VAL 604 Ca -0.21 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 1k85 n VAL 604 Cb 0.53 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.29 0.00 -0.68 3.34 -2.24 -1.26 -0.79 114.28 112.35 1k85 n THR 605 Ca 0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1k85 n THR 605 Cb 0.25 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.11 1.89 1.49 3.38 0.00 -1.26 -4.58 105.19 106.22 1k85 n GLY 606 Ca 0.00 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.24 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 2.59 -4.17 2.61 -2.24 -1.26 -4.78 114.28 107.04 1k85 n THR 607 Ca 0.00 -1.63 -0.10 0.00 -2.27 0.00 0.00 64.05 60.05 1k85 n THR 607 Cb 0.00 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.82 0.59 0.02 4.28 -4.23 -1.26 -3.37 115.64 108.86 1k85 s THR 608 Ca 0.50 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1k85 s THR 608 Cb 0.39 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.47 1k85 s THR 608 CO 0.13 -0.82 -0.03 0.00 -0.54 0.00 0.00 174.62 173.36 1k85 s ALA 609 N -3.69 0.18 -0.24 3.99 0.00 -0.33 -4.68 121.76 116.98 1k85 s ALA 609 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1k85 s ALA 609 Cb 0.06 0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.36 1k85 s ALA 609 CO -0.04 -0.11 0.05 0.99 0.00 0.00 0.00 175.76 176.65 1k85 s THR 610 N -1.20 0.72 -0.26 0.00 2.01 -1.26 -1.96 115.64 113.69 1k85 s THR 610 Ca -0.12 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.85 1k85 s THR 610 Cb -0.08 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 1k85 s THR 610 CO -0.01 -0.38 0.18 -0.63 -0.69 0.00 0.00 174.62 173.09 1k85 s ILE 611 N 1.74 5.34 0.47 1.82 1.09 -1.08 -4.79 121.20 125.78 1k85 s ILE 611 Ca 0.02 0.18 0.08 0.00 -1.10 0.00 0.00 60.65 59.84 1k85 s ILE 611 Cb -0.17 -3.52 0.03 0.00 -1.06 0.00 0.00 42.46 37.74 1k85 s ILE 611 CO -0.15 0.30 0.63 -0.94 -0.10 0.00 0.00 174.94 174.68 1k85 s SER 612 N 1.36 5.47 0.00 3.58 1.04 -1.26 -2.33 113.70 121.56 1k85 s SER 612 Ca 0.07 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1k85 s SER 612 Cb -0.15 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.61 1k85 s SER 612 CO 0.07 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1k85 n GLY 613 N -1.96 1.86 7.00 7.32 0.00 -1.14 -4.91 105.19 113.36 1k85 n GLY 613 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.64 0.99 4.77 -1.25 -4.41 117.00 113.46 1k85 n LEU 614 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1k85 n LEU 614 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1k85 n LEU 614 CO 0.00 -0.13 0.55 0.00 -1.33 0.00 0.00 177.39 176.48 1k85 s ALA 615 N -1.38 -1.99 0.70 -1.18 0.00 -1.26 -4.96 121.76 111.69 1k85 s ALA 615 Ca 0.00 2.14 -0.10 0.00 0.00 0.00 0.00 51.96 54.00 1k85 s ALA 615 Cb 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.70 1k85 s ALA 615 CO 0.00 -0.32 1.06 0.00 0.00 0.00 0.00 175.76 176.50 1k85 s ALA 616 N 0.92 2.97 -1.51 0.00 0.00 -1.26 -4.14 121.76 118.74 1k85 s ALA 616 Ca -0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1k85 s ALA 616 Cb -0.05 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1k85 s ALA 616 CO -0.11 -1.18 0.68 -0.25 0.00 0.00 0.00 175.76 174.91 1k85 n ASP 617 N -2.96 -5.92 -4.18 0.00 9.92 0.13 -4.98 116.55 108.57 1k85 n ASP 617 Ca 0.07 -0.34 -0.11 0.00 -0.53 0.00 0.00 54.79 53.87 1k85 n ASP 617 Cb 0.58 -4.77 -0.10 0.00 -0.64 0.00 0.00 41.12 36.20 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 -3.18 0.03 -0.20 -3.53 2.01 -1.12 -5.02 115.64 104.63 1k85 s THR 618 Ca 0.36 -1.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.39 1k85 s THR 618 Cb -0.16 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1k85 s THR 618 CO 0.44 -0.14 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.69 1k85 s SER 619 N -3.12 3.88 0.13 3.53 0.01 -1.26 -1.90 113.70 114.96 1k85 s SER 619 Ca 0.34 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 57.22 1k85 s SER 619 Cb 0.07 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 1k85 s SER 619 CO 0.09 -0.00 -0.23 -0.31 0.41 0.00 0.00 173.24 173.20 1k85 s TYR 620 N 1.33 2.01 -0.08 2.43 2.02 -1.07 -5.02 117.35 118.97 1k85 s TYR 620 Ca 0.04 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1k85 s TYR 620 Cb -0.14 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1k85 s TYR 620 CO -0.06 0.29 -0.17 0.95 -1.57 0.00 0.00 175.55 174.99 1k85 s THR 621 N -1.28 1.54 0.20 -0.71 -4.23 -1.26 -1.65 115.64 108.27 1k85 s THR 621 Ca 0.11 -0.72 0.09 0.00 -1.18 0.00 0.00 61.69 60.00 1k85 s THR 621 Cb -0.09 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1k85 s THR 621 CO 0.06 0.45 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.13 1k85 s PHE 622 N 0.50 2.62 -0.03 3.99 0.08 -0.88 -1.39 117.98 122.88 1k85 s PHE 622 Ca -0.16 -0.23 -0.14 0.00 0.12 0.00 0.00 56.93 56.52 1k85 s PHE 622 Cb -0.17 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1k85 s PHE 622 CO 0.06 0.54 0.30 0.95 -0.10 0.00 0.00 175.22 176.97 1k85 s THR 623 N -1.86 0.05 0.18 0.64 -4.23 -1.18 -1.62 115.64 107.61 1k85 s THR 623 Ca 0.26 -0.42 0.10 0.00 -1.18 0.00 0.00 61.69 60.45 1k85 s THR 623 Cb -0.08 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 1k85 s THR 623 CO 0.16 -0.23 -0.15 0.68 -0.54 0.00 0.00 174.62 174.53 1k85 s VAL 624 N -1.12 2.86 0.22 2.29 -7.23 -1.26 -0.61 120.40 115.56 1k85 s VAL 624 Ca -0.12 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1k85 s VAL 624 Cb -0.05 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1k85 s VAL 624 CO 0.04 -0.09 0.16 -0.54 -0.31 0.00 0.00 175.10 174.35 1k85 s LYS 625 N -2.70 1.30 -0.09 4.82 1.02 -0.77 -0.84 119.74 122.48 1k85 s LYS 625 Ca 0.23 -1.70 0.01 0.00 0.02 0.00 0.00 55.97 54.53 1k85 s LYS 625 Cb -0.09 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.52 1k85 s LYS 625 CO 0.13 -0.44 -0.11 0.00 -0.92 0.00 0.00 175.35 174.02 1k85 s ALA 626 N -4.03 1.30 0.15 5.17 0.00 -1.26 -2.62 121.76 120.47 1k85 s ALA 626 Ca 0.39 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1k85 s ALA 626 Cb 0.06 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1k85 s ALA 626 CO 0.15 -0.10 -0.16 -1.59 0.00 0.00 0.00 175.76 174.06 1k85 s LYS 627 N 1.08 1.83 0.51 0.00 0.00 -1.08 -1.59 119.74 120.49 1k85 s LYS 627 Ca -0.07 -1.26 0.06 0.00 0.00 0.00 0.00 55.97 54.70 1k85 s LYS 627 Cb -0.14 -2.09 0.02 0.00 0.00 0.00 0.00 37.83 35.62 1k85 s LYS 627 CO -0.01 0.45 0.38 -0.51 0.00 0.00 0.00 175.35 175.66 1k85 s ASP 628 N -2.45 4.68 -0.40 0.03 1.01 -0.89 -2.63 116.67 116.02 1k85 s ASP 628 Ca 0.21 -1.15 -0.03 0.00 0.71 0.00 0.00 52.55 52.29 1k85 s ASP 628 Cb -0.10 0.18 0.12 0.00 1.01 0.00 0.00 42.92 44.13 1k85 s ASP 628 CO 0.12 -0.98 2.49 0.00 0.21 0.00 0.00 175.17 177.00 1k85 n ALA 629 N -1.69 5.95 0.00 5.23 0.00 -1.15 -3.74 120.51 125.11 1k85 n ALA 629 Ca -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1k85 n ALA 629 Cb 0.64 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.67 0.45 0.00 0.00 0.00 -1.26 -5.03 120.51 115.34 1k85 n ALA 630 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1k85 n ALA 630 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.03 0.97 3.60 0.00 0.00 -1.25 -5.11 105.19 103.43 1k85 n GLY 631 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1k85 n GLY 631 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k85 s ASN 632 N -1.13 6.19 0.08 1.61 -0.87 -1.26 -4.96 114.94 114.59 1k85 s ASN 632 Ca 0.00 0.19 0.08 0.00 -1.57 0.00 0.00 52.86 51.56 1k85 s ASN 632 Cb 0.00 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 39.01 1k85 s ASN 632 CO 0.00 -0.15 -0.17 0.54 -2.57 0.00 0.00 177.10 174.75 1k85 s VAL 633 N 1.98 2.86 0.00 1.60 0.11 -1.26 -2.09 120.40 123.60 1k85 s VAL 633 Ca 0.13 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 1k85 s VAL 633 Cb -0.16 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 1k85 s VAL 633 CO 0.10 0.22 0.00 -0.24 -3.33 0.00 0.00 175.10 171.86 1k85 n SER 634 N 1.18 0.00 -4.63 3.54 2.88 -0.62 -4.69 113.62 111.28 1k85 n SER 634 Ca -0.16 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.14 1k85 n SER 634 Cb 0.52 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.10 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k85 s ALA 635 N -3.61 3.50 0.30 -1.46 0.00 -1.26 -4.80 121.76 114.42 1k85 s ALA 635 Ca 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 1k85 s ALA 635 Cb 0.00 -2.13 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 1k85 s ALA 635 CO 0.00 -1.55 0.67 0.00 0.00 0.00 0.00 175.76 174.88 1k85 s ALA 636 N -3.23 3.42 0.73 0.00 0.00 -1.26 -4.50 121.76 116.92 1k85 s ALA 636 Ca 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1k85 s ALA 636 Cb -0.06 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.47 1k85 s ALA 636 CO 0.45 0.36 0.22 0.45 0.00 0.00 0.00 175.76 177.25 1k85 n SER 637 N -0.38 0.14 -4.72 0.00 2.88 -0.02 -4.92 113.62 106.60 1k85 n SER 637 Ca 0.02 -1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 56.10 1k85 n SER 637 Cb 0.53 -0.16 0.13 0.00 -0.75 0.00 0.00 64.21 63.96 1k85 n SER 637 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1k85 s ASN 638 N -1.86 3.71 -0.25 -3.46 0.01 -1.26 -4.66 114.94 107.17 1k85 s ASN 638 Ca 0.14 2.02 -0.10 0.00 -0.71 0.00 0.00 52.86 54.21 1k85 s ASN 638 Cb -0.01 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 1k85 s ASN 638 CO 0.09 -2.57 0.15 0.00 -1.51 0.00 0.00 177.10 173.26 1k85 s ALA 639 N -2.75 3.54 -0.25 0.60 0.00 -1.26 -4.33 121.76 117.31 1k85 s ALA 639 Ca 0.64 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1k85 s ALA 639 Cb -0.20 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1k85 s ALA 639 CO 0.56 -0.28 0.17 0.54 0.00 0.00 0.00 175.76 176.76 1k85 s VAL 640 N 1.22 5.34 -0.54 0.00 0.11 -0.64 -4.88 120.40 121.01 1k85 s VAL 640 Ca 0.07 0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 59.11 1k85 s VAL 640 Cb -0.14 -3.51 0.07 0.00 -1.53 0.00 0.00 36.38 31.27 1k85 s VAL 640 CO 0.06 0.31 0.67 -0.55 -3.33 0.00 0.00 175.10 172.26 1k85 s SER 641 N 1.29 6.21 0.02 3.54 0.15 -1.26 -2.07 113.70 121.59 1k85 s SER 641 Ca 0.08 -1.08 0.02 0.00 0.70 0.00 0.00 55.95 55.67 1k85 s SER 641 Cb -0.14 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1k85 s SER 641 CO 0.07 -0.99 0.01 0.68 1.20 0.00 0.00 173.24 174.21 1k85 s VAL 642 N 2.72 4.21 -0.40 4.45 -7.23 -0.66 -5.01 120.40 118.49 1k85 s VAL 642 Ca 0.14 -0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 1k85 s VAL 642 Cb -0.21 -2.92 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1k85 s VAL 642 CO 0.10 0.30 0.25 -0.54 -0.31 0.00 0.00 175.10 174.90 1k85 s LYS 643 N -1.80 2.79 0.00 4.82 1.02 -1.26 -2.61 119.74 122.70 1k85 s LYS 643 Ca 0.22 -1.21 0.30 0.00 0.02 0.00 0.00 55.97 55.30 1k85 s LYS 643 Cb -0.12 -3.81 1.55 0.00 -0.52 0.00 0.00 37.83 34.93 1k85 s LYS 643 CO 0.13 -0.81 2.03 0.25 -0.92 0.00 0.00 175.35 176.03