#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 -0.13 -2.95 -0.41 0.00 -1.26 -4.96 117.12 107.41 1k85 n MET 558 Ca 0.00 0.03 -0.33 0.00 -0.00 0.00 0.00 57.70 57.40 1k85 n MET 558 Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 33.22 29.22 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 -1.87 3.17 0.71 -5.12 0.00 -1.26 -4.77 121.76 112.62 1k85 s ALA 559 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 1k85 s ALA 559 Cb 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1k85 s ALA 559 CO 0.00 0.22 0.27 -0.35 0.00 0.00 0.00 175.76 175.90 1k85 n PRO 560 N -0.44 0.10 -3.46 0.00 -0.05 -1.26 -5.01 135.00 124.88 1k85 n PRO 560 Ca 0.05 -0.57 -0.37 0.00 -0.05 0.00 0.00 63.50 62.55 1k85 n PRO 560 Cb 0.53 -0.23 -0.06 0.00 -0.05 0.00 0.00 33.50 33.69 1k85 n PRO 560 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1k85 s THR 561 N -1.07 5.17 0.14 0.52 -4.23 -1.26 -4.54 115.64 110.37 1k85 s THR 561 Ca 0.17 0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 61.16 1k85 s THR 561 Cb -0.01 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.04 1k85 s THR 561 CO 0.11 0.44 1.28 0.00 -0.54 0.00 0.00 174.62 175.92 1k85 s ALA 562 N -0.10 3.49 1.00 3.99 0.00 -1.26 -4.57 121.76 124.31 1k85 s ALA 562 Ca 0.22 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 1k85 s ALA 562 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1k85 s ALA 562 CO 0.10 -0.50 -0.21 -2.30 0.00 0.00 0.00 175.76 172.85 1k85 n PRO 563 N 3.22 -0.42 -3.62 0.00 -0.02 -1.26 -4.94 135.00 127.97 1k85 n PRO 563 Ca 0.08 -0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 1k85 n PRO 563 Cb 0.44 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 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 -2.22 0.03 -1.24 3.45 -1.32 -1.24 -4.40 115.64 108.71 1k85 s THR 564 Ca 0.50 -0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 1k85 s THR 564 Cb -0.15 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 1k85 s THR 564 CO 0.71 -0.16 0.95 0.59 -2.21 0.00 0.00 174.62 174.50 1k85 n ASN 565 N -0.31 -2.14 -4.82 8.08 5.03 -1.26 -1.84 115.26 118.01 1k85 n ASN 565 Ca -0.14 -0.66 -0.32 0.00 0.87 0.00 0.00 54.58 54.34 1k85 n ASN 565 Cb 0.64 -4.89 0.03 0.00 -1.02 0.00 0.00 39.78 34.54 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1k85 s LEU 566 N -6.49 3.26 0.34 3.41 2.96 -1.26 -4.21 118.68 116.69 1k85 s LEU 566 Ca 0.04 1.66 -0.17 0.00 -0.22 0.00 0.00 54.13 55.44 1k85 s LEU 566 Cb -0.02 -4.51 0.06 0.00 0.50 0.00 0.00 46.19 42.22 1k85 s LEU 566 CO 0.75 -1.31 0.83 0.00 -1.32 0.00 0.00 176.35 175.30 1k85 s ALA 567 N -2.87 -0.94 -0.07 5.97 0.00 0.77 -4.96 121.76 119.66 1k85 s ALA 567 Ca 0.59 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1k85 s ALA 567 Cb -0.14 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1k85 s ALA 567 CO 0.49 -1.00 -0.14 0.45 0.00 0.00 0.00 175.76 175.55 1k85 s SER 568 N -3.11 2.03 0.00 0.00 0.15 -1.26 -1.82 113.70 109.69 1k85 s SER 568 Ca 0.16 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1k85 s SER 568 Cb -0.05 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1k85 s SER 568 CO 0.10 0.05 0.00 0.35 1.20 0.00 0.00 173.24 174.94 1k85 n THR 569 N 3.81 0.00 -2.95 6.45 -2.24 -0.63 -4.94 114.28 113.79 1k85 n THR 569 Ca -0.22 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.13 1k85 n THR 569 Cb 0.52 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.76 3.22 -0.10 6.98 0.00 -1.26 -4.90 121.76 121.94 1k85 s ALA 570 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 51.96 50.10 1k85 s ALA 570 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1k85 s ALA 570 CO 0.00 -2.58 -0.21 -1.14 0.00 0.00 0.00 175.76 171.83 1k85 s GLN 571 N 3.58 2.75 0.00 0.00 -0.44 -1.26 -0.02 119.66 124.27 1k85 s GLN 571 Ca 0.19 -0.77 0.00 0.00 -2.50 0.00 0.00 55.36 52.28 1k85 s GLN 571 Cb -0.19 -2.12 0.00 0.00 -1.64 0.00 0.00 33.01 29.06 1k85 s GLN 571 CO 0.10 0.11 0.00 0.25 0.50 0.00 0.00 175.29 176.25 1k85 n THR 572 N 3.68 0.00 0.49 -0.34 -2.24 -0.05 -4.98 114.28 110.84 1k85 n THR 572 Ca -0.20 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1k85 n THR 572 Cb 0.52 -0.25 0.20 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.04 0.77 0.00 4.28 -2.24 -1.26 -4.38 114.28 111.41 1k85 n THR 573 Ca 0.00 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1k85 n THR 573 Cb 0.00 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.69 0.00 -4.80 3.42 3.41 -1.26 -4.19 113.62 110.89 1k85 n SER 574 Ca 0.15 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.51 1k85 n SER 574 Cb 0.45 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 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 -3.15 4.56 -0.27 4.04 1.04 -1.26 -1.95 113.70 116.71 1k85 s SER 575 Ca 0.00 -1.10 -0.25 0.00 0.48 0.00 0.00 55.95 55.09 1k85 s SER 575 Cb 0.00 -0.23 0.07 0.00 0.10 0.00 0.00 66.02 65.96 1k85 s SER 575 CO 0.00 -0.71 0.73 -0.51 0.98 0.00 0.00 173.24 173.73 1k85 s ILE 576 N -2.63 0.00 -0.15 -1.02 2.07 -0.96 -0.87 121.20 117.64 1k85 s ILE 576 Ca 0.38 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.59 1k85 s ILE 576 Cb 0.01 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 1k85 s ILE 576 CO 0.22 0.00 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.34 1k85 s THR 577 N 0.43 4.06 0.22 4.00 2.01 0.98 -1.98 115.64 125.35 1k85 s THR 577 Ca -0.00 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 61.79 1k85 s THR 577 Cb -0.05 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1k85 s THR 577 CO -0.00 0.50 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.15 1k85 s LEU 578 N 0.20 3.03 -0.17 4.42 2.96 0.45 -1.61 118.68 127.96 1k85 s LEU 578 Ca -0.01 -0.64 -0.14 0.00 -0.22 0.00 0.00 54.13 53.13 1k85 s LEU 578 Cb -0.14 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.96 1k85 s LEU 578 CO 0.02 0.06 0.44 -0.94 -1.32 0.00 0.00 176.35 174.61 1k85 s SER 579 N -3.21 -0.49 0.26 3.68 1.04 -0.76 -2.50 113.70 111.73 1k85 s SER 579 Ca 0.28 0.91 -0.18 0.00 0.48 0.00 0.00 55.95 57.44 1k85 s SER 579 Cb -0.08 0.88 0.01 0.00 0.10 0.00 0.00 66.02 66.94 1k85 s SER 579 CO 0.17 -0.17 0.62 -1.66 0.98 0.00 0.00 173.24 173.19 1k85 s TRP 580 N 0.58 0.01 0.12 5.02 -2.14 -1.09 -0.16 118.94 121.28 1k85 s TRP 580 Ca -0.03 -0.43 -0.29 0.00 2.66 0.00 0.00 56.10 58.01 1k85 s TRP 580 Cb -0.05 0.50 -0.06 0.00 -3.10 0.00 0.00 33.47 30.77 1k85 s TRP 580 CO -0.03 -1.13 0.91 0.99 -2.66 0.00 0.00 176.95 175.02 1k85 s THR 581 N -3.95 4.48 1.20 0.66 2.01 -0.76 -4.85 115.64 114.41 1k85 s THR 581 Ca 0.15 1.97 -0.15 0.00 0.31 0.00 0.00 61.69 63.96 1k85 s THR 581 Cb -0.04 -4.27 0.29 0.00 0.01 0.00 0.00 72.50 68.49 1k85 s THR 581 CO 0.07 0.36 1.03 0.00 -0.69 0.00 0.00 174.62 175.39 1k85 s ALA 582 N -0.25 -0.19 -2.01 7.40 0.00 -1.26 -3.73 121.76 121.72 1k85 s ALA 582 Ca 0.44 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1k85 s ALA 582 Cb -0.23 -3.11 0.17 0.00 0.00 0.00 0.00 23.12 19.94 1k85 s ALA 582 CO 0.29 -3.81 1.13 -1.13 0.00 0.00 0.00 175.76 172.24 1k85 n SER 583 N -4.92 0.68 -1.90 0.00 3.41 -1.26 -4.79 113.62 104.83 1k85 n SER 583 Ca 0.06 -1.97 -0.15 0.00 -0.26 0.00 0.00 58.87 56.55 1k85 n SER 583 Cb 0.57 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.14 -0.34 -2.73 6.66 -1.04 -1.26 -4.56 114.28 110.88 1k85 n THR 584 Ca 0.05 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.01 1k85 n THR 584 Cb 0.11 -1.77 0.05 0.00 -1.82 0.00 0.00 70.33 66.90 1k85 n THR 584 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1k85 n ASP 585 N -1.26 1.05 0.00 8.00 2.03 -1.26 -4.90 116.55 120.21 1k85 n ASP 585 Ca -0.16 -2.41 0.02 0.00 0.52 0.00 0.00 54.79 52.75 1k85 n ASP 585 Cb 0.56 -0.32 0.10 0.00 -0.72 0.00 0.00 41.12 40.74 1k85 n ASP 585 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1k85 n ASN 586 N -0.39 0.00 0.00 1.67 6.94 -1.26 -1.94 115.26 120.28 1k85 n ASN 586 Ca 0.06 0.22 0.07 0.00 -0.02 0.00 0.00 54.58 54.91 1k85 n ASN 586 Cb 0.82 -0.28 0.44 0.00 -2.36 0.00 0.00 39.78 38.40 1k85 n ASN 586 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1k85 n VAL 587 N -1.28 0.00 -0.01 3.53 3.14 -1.26 -3.77 118.33 118.68 1k85 n VAL 587 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1k85 n VAL 587 Cb 0.03 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k85 n GLY 588 N 0.48 0.02 3.74 7.55 0.00 -0.82 -5.11 105.19 111.05 1k85 n GLY 588 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 4.21 -0.99 1.61 1.01 -1.13 -3.42 120.40 121.70 1k85 s VAL 589 Ca 0.00 1.97 0.14 0.00 0.00 0.00 0.00 61.98 64.09 1k85 s VAL 589 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 1k85 s VAL 589 CO 0.00 0.37 0.69 0.35 0.00 0.00 0.00 175.10 176.51 1k85 n THR 590 N 2.25 0.00 -0.05 3.92 -2.24 -1.10 -4.88 114.28 112.18 1k85 n THR 590 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1k85 n THR 590 Cb 0.48 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1k85 n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 591 N 1.22 -2.27 2.94 3.38 0.00 -1.23 -4.73 105.19 104.49 1k85 n GLY 591 Ca 0.04 -1.21 -0.22 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 -2.01 1.05 -0.30 1.61 1.51 -0.13 -2.64 117.35 116.43 1k85 s TYR 592 Ca 0.00 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1k85 s TYR 592 Cb 0.00 -0.85 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1k85 s TYR 592 CO 0.00 -0.25 0.16 -0.51 -1.11 0.00 0.00 175.55 173.84 1k85 s ASP 593 N 0.90 5.64 -0.14 2.29 1.11 -0.46 -1.67 116.67 124.34 1k85 s ASP 593 Ca -0.11 -0.40 -0.07 0.00 0.18 0.00 0.00 52.55 52.16 1k85 s ASP 593 Cb -0.15 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 1k85 s ASP 593 CO 0.01 -0.16 0.10 0.54 1.18 0.00 0.00 175.17 176.84 1k85 s VAL 594 N 1.65 5.14 0.40 -1.27 0.11 -1.11 -1.31 120.40 124.01 1k85 s VAL 594 Ca 0.05 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1k85 s VAL 594 Cb -0.17 -3.25 0.01 0.00 -1.53 0.00 0.00 36.38 31.43 1k85 s VAL 594 CO 0.07 0.56 0.56 -0.31 -3.33 0.00 0.00 175.10 172.65 1k85 s TYR 595 N -0.54 2.91 -0.46 1.54 1.51 0.72 -1.49 117.35 121.54 1k85 s TYR 595 Ca 0.11 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1k85 s TYR 595 Cb -0.12 -2.29 0.15 0.00 -0.11 0.00 0.00 41.96 39.60 1k85 s TYR 595 CO 0.02 -0.33 0.32 1.21 -1.11 0.00 0.00 175.55 175.66 1k85 s ASN 596 N -4.30 2.99 0.00 2.29 3.04 -0.13 -2.55 114.94 116.27 1k85 s ASN 596 Ca 0.52 -2.93 0.00 0.00 0.04 0.00 0.00 52.86 50.49 1k85 s ASN 596 Cb -0.10 -0.84 0.00 0.00 -1.54 0.00 0.00 41.25 38.77 1k85 s ASN 596 CO 0.33 -0.21 0.00 0.61 -3.04 0.00 0.00 177.10 174.79 1k85 n GLY 597 N 3.09 2.08 0.00 1.21 0.00 -0.71 -3.58 105.19 107.28 1k85 n GLY 597 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.58 2.61 -2.24 -1.26 -5.09 114.28 103.72 1k85 n THR 598 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1k85 n THR 598 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 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 2.96 0.05 6.98 0.00 -1.24 -5.07 121.76 125.45 1k85 s ALA 599 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 51.96 50.75 1k85 s ALA 599 Cb 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 23.12 21.68 1k85 s ALA 599 CO 0.00 0.46 1.72 -0.11 0.00 0.00 0.00 175.76 177.83 1k85 n LEU 600 N 2.64 3.29 0.00 0.00 -0.00 -1.26 -0.96 117.00 120.71 1k85 n LEU 600 Ca -0.18 1.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.86 1k85 n LEU 600 Cb 0.53 -1.41 0.00 0.00 -0.00 0.00 0.00 43.42 42.54 1k85 n LEU 600 CO 0.29 -0.17 0.00 0.00 -0.00 0.00 0.00 177.39 177.51 1k85 n ALA 601 N 4.94 0.00 -2.18 1.96 0.00 -0.55 -4.82 120.51 119.86 1k85 n ALA 601 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1k85 n ALA 601 Cb 0.30 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 1.18 3.67 -0.07 0.00 -1.32 -1.23 -4.98 115.64 112.89 1k85 s THR 602 Ca 0.00 -0.33 0.02 0.00 -1.21 0.00 0.00 61.69 60.16 1k85 s THR 602 Cb 0.00 -3.40 0.02 0.00 -1.51 0.00 0.00 72.50 67.61 1k85 s THR 602 CO 0.00 -0.33 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.09 1k85 s THR 603 N -2.75 1.00 0.36 5.08 2.01 -1.26 -2.76 115.64 117.32 1k85 s THR 603 Ca 0.52 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.16 1k85 s THR 603 Cb -0.10 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1k85 s THR 603 CO 0.41 0.33 0.09 1.33 -0.69 0.00 0.00 174.62 176.09 1k85 n VAL 604 N 4.03 0.00 -0.89 3.82 0.24 -0.67 -4.99 118.33 119.87 1k85 n VAL 604 Ca -0.22 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.10 1k85 n VAL 604 Cb 0.51 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.84 0.02 0.00 3.34 -2.24 -1.26 -0.95 114.28 112.35 1k85 n THR 605 Ca -0.08 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1k85 n THR 605 Cb 0.52 1.70 0.00 0.00 -2.10 0.00 0.00 70.33 70.45 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 1.67 0.00 3.38 0.00 -1.26 -4.61 105.19 104.36 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 0.41 -4.26 2.61 -2.24 -1.26 -4.79 114.28 104.76 1k85 n THR 607 Ca 0.00 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1k85 n THR 607 Cb 0.00 0.86 -0.17 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.41 0.97 -0.16 4.28 -4.23 -1.26 -2.67 115.64 112.16 1k85 s THR 608 Ca 0.00 -0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1k85 s THR 608 Cb 0.00 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 1k85 s THR 608 CO 0.00 0.33 -0.12 0.00 -0.54 0.00 0.00 174.62 174.29 1k85 s ALA 609 N 1.11 2.62 -0.19 3.99 0.00 -1.04 -4.83 121.76 123.41 1k85 s ALA 609 Ca -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1k85 s ALA 609 Cb -0.14 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 1k85 s ALA 609 CO -0.01 -0.00 -0.06 0.99 0.00 0.00 0.00 175.76 176.68 1k85 s THR 610 N 0.76 3.41 -0.10 0.00 2.01 -1.26 -0.41 115.64 120.05 1k85 s THR 610 Ca -0.05 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1k85 s THR 610 Cb -0.15 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1k85 s THR 610 CO 0.01 0.45 0.01 -0.63 -0.69 0.00 0.00 174.62 173.77 1k85 s ILE 611 N 1.07 4.37 0.32 1.82 1.09 -0.84 -4.82 121.20 124.21 1k85 s ILE 611 Ca 0.01 -0.22 0.09 0.00 -1.10 0.00 0.00 60.65 59.43 1k85 s ILE 611 Cb -0.15 -2.85 -0.05 0.00 -1.06 0.00 0.00 42.46 38.35 1k85 s ILE 611 CO -0.00 0.59 -0.02 -0.44 -0.10 0.00 0.00 174.94 174.97 1k85 s SER 612 N -0.73 4.17 -0.47 3.58 0.01 -1.26 -2.26 113.70 116.73 1k85 s SER 612 Ca 0.11 -0.94 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 1k85 s SER 612 Cb -0.12 -0.56 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 1k85 s SER 612 CO 0.02 -0.17 0.44 0.61 0.41 0.00 0.00 173.24 174.56 1k85 n GLY 613 N -0.90 -0.78 3.35 3.44 0.00 -1.15 -4.99 105.19 104.15 1k85 n GLY 613 Ca -0.05 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.40 2.37 0.20 0.99 1.02 -0.82 -5.05 118.68 113.99 1k85 s LEU 614 Ca 0.04 -0.79 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1k85 s LEU 614 Cb -0.01 -0.99 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 1k85 s LEU 614 CO 0.45 0.07 0.37 0.00 0.02 0.00 0.00 176.35 177.26 1k85 s ALA 615 N -1.52 3.86 0.46 4.21 0.00 -1.26 -4.29 121.76 123.21 1k85 s ALA 615 Ca 0.14 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1k85 s ALA 615 Cb -0.08 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1k85 s ALA 615 CO 0.06 0.43 0.71 0.00 0.00 0.00 0.00 175.76 176.97 1k85 s ALA 616 N -1.86 3.56 -1.47 0.00 0.00 -1.26 -4.29 121.76 116.43 1k85 s ALA 616 Ca 0.37 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1k85 s ALA 616 Cb -0.11 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.72 1k85 s ALA 616 CO 0.29 -0.34 0.94 -0.25 0.00 0.00 0.00 175.76 176.40 1k85 n ASP 617 N -2.14 -5.33 -3.88 0.00 8.00 -0.77 -4.98 116.55 107.45 1k85 n ASP 617 Ca -0.00 -0.61 -0.12 0.00 0.71 0.00 0.00 54.79 54.77 1k85 n ASP 617 Cb 0.56 -4.25 -0.14 0.00 -0.02 0.00 0.00 41.12 37.28 1k85 n ASP 617 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1k85 s THR 618 N -3.25 0.02 -0.05 -3.53 -4.23 -1.24 -4.97 115.64 98.37 1k85 s THR 618 Ca 0.58 -0.13 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 1k85 s THR 618 Cb -0.28 -0.05 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 1k85 s THR 618 CO 0.71 -0.07 0.65 -0.94 -0.54 0.00 0.00 174.62 174.43 1k85 s SER 619 N -0.21 6.95 -0.10 3.99 1.04 -1.26 -2.57 113.70 121.54 1k85 s SER 619 Ca -0.02 1.14 0.02 0.00 0.48 0.00 0.00 55.95 57.57 1k85 s SER 619 Cb -0.01 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.73 1k85 s SER 619 CO -0.00 -0.05 -0.16 -0.31 0.98 0.00 0.00 173.24 173.70 1k85 s TYR 620 N 0.52 2.01 -0.26 5.02 2.02 -0.88 -4.98 117.35 120.79 1k85 s TYR 620 Ca 0.35 -0.91 -0.07 0.00 -0.37 0.00 0.00 57.07 56.07 1k85 s TYR 620 Cb -0.18 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1k85 s TYR 620 CO 0.17 -0.44 0.08 0.95 -1.57 0.00 0.00 175.55 174.74 1k85 s THR 621 N 0.83 4.27 0.34 -0.71 -4.23 -1.25 -2.02 115.64 112.87 1k85 s THR 621 Ca -0.10 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.20 1k85 s THR 621 Cb -0.16 -3.05 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1k85 s THR 621 CO 0.01 0.26 0.15 -0.36 -0.54 0.00 0.00 174.62 174.14 1k85 s PHE 622 N 1.59 2.72 -0.22 3.99 0.08 -0.72 -1.74 117.98 123.68 1k85 s PHE 622 Ca 0.06 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 1k85 s PHE 622 Cb -0.16 -1.65 0.06 0.00 -0.57 0.00 0.00 43.02 40.70 1k85 s PHE 622 CO 0.04 0.33 0.57 0.95 -0.10 0.00 0.00 175.22 177.00 1k85 s THR 623 N -2.42 -0.00 0.09 0.64 -4.23 -1.06 -1.33 115.64 107.34 1k85 s THR 623 Ca 0.38 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1k85 s THR 623 Cb -0.03 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1k85 s THR 623 CO 0.23 0.01 0.22 0.68 -0.54 0.00 0.00 174.62 175.22 1k85 s VAL 624 N 0.73 5.28 0.04 2.29 -7.23 -1.26 -0.20 120.40 120.05 1k85 s VAL 624 Ca -0.03 -0.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1k85 s VAL 624 Cb -0.05 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 1k85 s VAL 624 CO -0.05 0.05 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.22 1k85 s LYS 625 N -2.77 0.55 0.01 4.82 1.02 -0.43 -1.11 119.74 121.83 1k85 s LYS 625 Ca 0.34 -1.08 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1k85 s LYS 625 Cb -0.12 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1k85 s LYS 625 CO 0.28 -0.09 -0.03 0.00 -0.92 0.00 0.00 175.35 174.59 1k85 s ALA 626 N -3.33 3.18 -0.02 5.17 0.00 -1.26 -1.36 121.76 124.14 1k85 s ALA 626 Ca 0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1k85 s ALA 626 Cb 0.04 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.95 1k85 s ALA 626 CO -0.08 0.64 0.03 -1.59 0.00 0.00 0.00 175.76 174.76 1k85 s LYS 627 N -1.60 -0.03 0.41 0.00 0.00 -1.08 -1.44 119.74 116.00 1k85 s LYS 627 Ca 0.19 0.17 0.08 0.00 0.00 0.00 0.00 55.97 56.41 1k85 s LYS 627 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 37.83 37.47 1k85 s LYS 627 CO 0.10 -0.15 0.30 -0.51 0.00 0.00 0.00 175.35 175.10 1k85 s ASP 628 N 0.94 4.82 -0.29 0.03 1.11 -0.85 -2.72 116.67 119.71 1k85 s ASP 628 Ca -0.08 -0.86 -0.00 0.00 0.18 0.00 0.00 52.55 51.79 1k85 s ASP 628 Cb -0.11 -0.55 0.25 0.00 1.07 0.00 0.00 42.92 43.58 1k85 s ASP 628 CO -0.03 -0.60 1.85 0.00 1.18 0.00 0.00 175.17 177.57 1k85 n ALA 629 N -1.43 4.78 -1.62 5.23 0.00 -1.22 -3.74 120.51 122.53 1k85 n ALA 629 Ca 0.02 -1.58 0.02 0.00 0.00 0.00 0.00 53.44 51.90 1k85 n ALA 629 Cb 0.63 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 0.15 1.94 -2.43 0.00 0.00 -1.26 -4.99 120.51 113.92 1k85 n ALA 630 Ca 0.30 -1.29 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 1k85 n ALA 630 Cb 0.72 -0.40 0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.33 -0.09 3.00 0.00 0.00 -1.25 -5.02 105.19 101.51 1k85 n GLY 631 Ca 0.03 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.61 2.16 -0.06 1.61 0.01 -1.26 -5.05 114.94 109.73 1k85 s ASN 632 Ca 0.08 -0.35 0.06 0.00 -0.71 0.00 0.00 52.86 51.93 1k85 s ASN 632 Cb -0.03 -0.94 -0.01 0.00 0.41 0.00 0.00 41.25 40.68 1k85 s ASN 632 CO 0.09 -0.02 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.73 1k85 s VAL 633 N 1.11 2.09 0.06 1.60 1.01 -1.26 -2.01 120.40 123.00 1k85 s VAL 633 Ca -0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1k85 s VAL 633 Cb -0.14 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1k85 s VAL 633 CO -0.02 0.57 0.06 -1.54 0.00 0.00 0.00 175.10 174.17 1k85 n SER 634 N 2.98 -0.89 -4.78 3.32 3.41 -0.52 -4.77 113.62 112.38 1k85 n SER 634 Ca -0.18 -0.61 -0.24 0.00 -0.26 0.00 0.00 58.87 57.58 1k85 n SER 634 Cb 0.52 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.50 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k85 s ALA 635 N -3.16 3.50 0.06 7.33 0.00 -1.26 -4.68 121.76 123.55 1k85 s ALA 635 Ca 0.04 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.36 1k85 s ALA 635 Cb -0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 1k85 s ALA 635 CO 0.03 -1.31 0.81 0.00 0.00 0.00 0.00 175.76 175.29 1k85 s ALA 636 N -3.12 3.34 1.04 0.00 0.00 -1.26 -4.43 121.76 117.32 1k85 s ALA 636 Ca 0.63 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 1k85 s ALA 636 Cb -0.08 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 20.04 1k85 s ALA 636 CO 0.43 0.04 0.26 0.45 0.00 0.00 0.00 175.76 176.95 1k85 n SER 637 N 2.83 -0.85 -4.77 0.00 2.88 -0.27 -4.95 113.62 108.49 1k85 n SER 637 Ca -0.01 -0.79 -0.36 0.00 -1.33 0.00 0.00 58.87 56.38 1k85 n SER 637 Cb 0.50 -0.23 0.01 0.00 -0.75 0.00 0.00 64.21 63.74 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 -2.15 5.64 -0.08 -3.46 -0.87 -1.26 -4.70 114.94 108.06 1k85 s ASN 638 Ca 0.16 2.26 -0.26 0.00 -1.57 0.00 0.00 52.86 53.46 1k85 s ASN 638 Cb -0.01 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.60 1k85 s ASN 638 CO 0.12 -1.28 0.81 0.00 -2.57 0.00 0.00 177.10 174.19 1k85 s ALA 639 N -1.68 3.35 -0.14 0.60 0.00 -1.26 -4.54 121.76 118.10 1k85 s ALA 639 Ca 0.73 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 1k85 s ALA 639 Cb -0.27 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1k85 s ALA 639 CO 0.30 -0.31 0.07 0.54 0.00 0.00 0.00 175.76 176.37 1k85 s VAL 640 N 1.28 4.92 -0.24 0.00 0.11 -0.44 -4.90 120.40 121.12 1k85 s VAL 640 Ca 0.41 -0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.39 1k85 s VAL 640 Cb -0.18 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.49 1k85 s VAL 640 CO 0.19 0.55 0.05 -0.44 -3.33 0.00 0.00 175.10 172.12 1k85 s SER 641 N -0.42 5.01 -0.11 3.54 0.01 -1.26 -1.75 113.70 118.73 1k85 s SER 641 Ca 0.10 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.15 1k85 s SER 641 Cb -0.12 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.22 1k85 s SER 641 CO 0.02 -0.03 -0.19 0.54 0.41 0.00 0.00 173.24 173.99 1k85 s VAL 642 N 1.58 1.75 -0.52 3.43 0.11 -0.85 -4.98 120.40 120.91 1k85 s VAL 642 Ca 0.06 -0.81 -0.18 0.00 -2.93 0.00 0.00 61.98 58.12 1k85 s VAL 642 Cb -0.15 -1.55 0.08 0.00 -1.53 0.00 0.00 36.38 33.23 1k85 s VAL 642 CO 0.03 0.49 0.56 -0.54 -3.33 0.00 0.00 175.10 172.31 1k85 s LYS 643 N 0.71 3.05 0.00 1.54 -0.14 -1.26 -2.08 119.74 121.56 1k85 s LYS 643 Ca -0.11 -1.22 0.31 0.00 -1.36 0.00 0.00 55.97 53.59 1k85 s LYS 643 Cb -0.16 -4.17 1.63 0.00 -1.68 0.00 0.00 37.83 33.45 1k85 s LYS 643 CO 0.02 -1.25 2.07 0.25 -0.76 0.00 0.00 175.35 175.68