#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 -3.96 -2.09 -1.40 0.00 -1.26 -4.93 117.12 103.49 1k85 n MET 558 Ca 0.00 2.91 -0.34 0.00 -0.00 0.00 0.00 57.70 60.27 1k85 n MET 558 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 33.22 29.99 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 -2.63 2.64 1.00 -5.12 0.00 -1.26 -4.97 121.76 111.43 1k85 s ALA 559 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 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 -0.90 0.00 -0.35 0.00 0.00 0.00 175.76 174.51 1k85 n PRO 560 N -1.75 0.15 -3.65 0.00 -0.04 -1.26 -4.99 135.00 123.46 1k85 n PRO 560 Ca 0.11 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.26 1k85 n PRO 560 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 1k85 n PRO 560 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1k85 s THR 561 N -0.58 5.15 -0.12 0.52 -4.23 -1.26 -4.56 115.64 110.56 1k85 s THR 561 Ca 0.00 0.01 -0.26 0.00 -1.18 0.00 0.00 61.69 60.26 1k85 s THR 561 Cb 0.00 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 1k85 s THR 561 CO 0.00 -0.01 0.83 0.00 -0.54 0.00 0.00 174.62 174.90 1k85 s ALA 562 N -1.71 3.43 0.75 3.99 0.00 -1.26 -4.58 121.76 122.37 1k85 s ALA 562 Ca 0.41 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 1k85 s ALA 562 Cb -0.12 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1k85 s ALA 562 CO 0.25 -0.47 0.26 -2.30 0.00 0.00 0.00 175.76 173.50 1k85 n PRO 563 N 4.73 0.16 -4.03 0.00 -0.02 -1.26 -4.94 135.00 129.64 1k85 n PRO 563 Ca 0.04 0.09 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 1k85 n PRO 563 Cb 0.50 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.98 0.13 -1.23 3.45 -4.23 -1.24 -4.36 115.64 106.17 1k85 s THR 564 Ca 0.60 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1k85 s THR 564 Cb -0.34 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1k85 s THR 564 CO 0.63 -0.58 0.78 -3.20 -0.54 0.00 0.00 174.62 171.71 1k85 n ASN 565 N -0.07 -2.58 -4.81 3.99 4.05 -1.26 -2.03 115.26 112.55 1k85 n ASN 565 Ca -0.10 -0.81 -0.32 0.00 0.45 0.00 0.00 54.58 53.81 1k85 n ASN 565 Cb 0.63 -4.25 0.03 0.00 1.23 0.00 0.00 39.78 37.41 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 -6.43 3.34 0.00 1.20 2.96 -1.26 -4.23 118.68 114.25 1k85 s LEU 566 Ca 0.13 1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.66 1k85 s LEU 566 Cb -0.03 -4.52 0.05 0.00 0.50 0.00 0.00 46.19 42.19 1k85 s LEU 566 CO 0.80 -1.32 0.65 0.00 -1.32 0.00 0.00 176.35 175.16 1k85 n ALA 567 N -2.52 -1.48 -3.62 5.97 0.00 0.20 -4.97 120.51 114.09 1k85 n ALA 567 Ca 0.08 -1.01 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 1k85 n ALA 567 Cb 0.53 0.80 -0.16 0.00 0.00 0.00 0.00 19.45 20.61 1k85 n ALA 567 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k85 s SER 568 N -2.69 1.08 0.00 0.00 1.04 -1.26 -1.18 113.70 110.70 1k85 s SER 568 Ca 0.13 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1k85 s SER 568 Cb -0.04 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1k85 s SER 568 CO 0.09 -0.05 0.00 0.35 0.98 0.00 0.00 173.24 174.61 1k85 n THR 569 N 4.09 0.00 -2.95 2.02 -2.24 -0.88 -4.93 114.28 109.39 1k85 n THR 569 Ca -0.24 0.16 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 1k85 n THR 569 Cb 0.51 -1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 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 -2.65 3.29 -0.28 6.98 0.00 -1.24 -4.96 121.76 122.90 1k85 s ALA 570 Ca 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 51.96 49.70 1k85 s ALA 570 Cb 0.00 -3.85 0.08 0.00 0.00 0.00 0.00 23.12 19.35 1k85 s ALA 570 CO 0.00 -2.75 -0.02 -1.14 0.00 0.00 0.00 175.76 171.86 1k85 s GLN 571 N 3.20 1.60 0.00 0.00 0.74 -1.26 0.44 119.66 124.38 1k85 s GLN 571 Ca 0.23 -1.36 0.00 0.00 0.05 0.00 0.00 55.36 54.28 1k85 s GLN 571 Cb -0.14 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.19 1k85 s GLN 571 CO 0.02 -0.75 0.00 0.25 -0.55 0.00 0.00 175.29 174.26 1k85 n THR 572 N 4.51 0.00 0.03 -0.34 -2.24 0.56 -4.95 114.28 111.84 1k85 n THR 572 Ca -0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 1k85 n THR 572 Cb 0.43 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.62 1k85 n THR 572 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1k85 h THR 573 N 0.00 0.84 -0.01 4.28 2.02 -1.95 -3.39 112.91 114.70 1k85 h THR 573 Ca 0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1k85 h THR 573 Cb 0.00 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1k85 h THR 573 CO 0.00 0.81 -0.07 -1.54 0.37 0.00 0.00 175.52 175.09 1k85 n SER 574 N -3.42 1.17 -4.27 4.18 3.41 -1.26 -4.35 113.62 109.08 1k85 n SER 574 Ca -0.25 -1.09 -0.15 0.00 -0.26 0.00 0.00 58.87 57.13 1k85 n SER 574 Cb 1.05 0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 65.16 1k85 n SER 574 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1k85 s SER 575 N -0.76 1.34 -0.08 4.04 0.01 -1.26 -2.24 113.70 114.75 1k85 s SER 575 Ca 0.06 -1.21 -0.30 0.00 1.31 0.00 0.00 55.95 55.80 1k85 s SER 575 Cb 0.05 0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.45 1k85 s SER 575 CO 0.11 -0.58 0.69 -0.51 0.41 0.00 0.00 173.24 173.36 1k85 s ILE 576 N -3.62 0.00 -0.07 1.44 2.07 -1.06 -0.32 121.20 119.64 1k85 s ILE 576 Ca 0.27 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 1k85 s ILE 576 Cb 0.06 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.67 1k85 s ILE 576 CO 0.06 0.00 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.15 1k85 s THR 577 N -0.99 0.70 0.14 4.00 2.01 0.17 -1.23 115.64 120.44 1k85 s THR 577 Ca -0.10 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1k85 s THR 577 Cb -0.01 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1k85 s THR 577 CO 0.09 0.29 0.07 -0.76 -0.69 0.00 0.00 174.62 173.62 1k85 s LEU 578 N 1.43 3.62 -0.03 4.42 1.43 -0.66 -2.08 118.68 126.82 1k85 s LEU 578 Ca -0.02 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1k85 s LEU 578 Cb -0.13 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1k85 s LEU 578 CO -0.03 0.11 -0.07 -0.55 0.23 0.00 0.00 176.35 176.03 1k85 s SER 579 N -2.82 1.04 0.21 2.29 0.15 -0.32 -1.92 113.70 112.32 1k85 s SER 579 Ca 0.29 -0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.74 1k85 s SER 579 Cb -0.10 -0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1k85 s SER 579 CO 0.21 0.04 0.23 -1.66 1.20 0.00 0.00 173.24 173.26 1k85 s TRP 580 N 0.29 0.92 -0.33 3.44 -2.14 -1.08 -0.63 118.94 119.42 1k85 s TRP 580 Ca -0.04 -1.18 -0.27 0.00 2.66 0.00 0.00 56.10 57.26 1k85 s TRP 580 Cb -0.09 -0.34 0.01 0.00 -3.10 0.00 0.00 33.47 29.96 1k85 s TRP 580 CO 0.00 -0.74 0.99 0.99 -2.66 0.00 0.00 176.95 175.54 1k85 s THR 581 N -4.12 4.56 0.81 0.66 2.01 -0.86 -4.88 115.64 113.83 1k85 s THR 581 Ca 0.34 1.50 -0.12 0.00 0.31 0.00 0.00 61.69 63.72 1k85 s THR 581 Cb 0.05 -4.36 0.08 0.00 0.01 0.00 0.00 72.50 68.28 1k85 s THR 581 CO 0.11 -0.47 1.17 0.00 -0.69 0.00 0.00 174.62 174.74 1k85 s ALA 582 N 3.52 1.87 0.47 7.40 0.00 -1.26 -3.68 121.76 130.08 1k85 s ALA 582 Ca 0.42 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 1k85 s ALA 582 Cb -0.12 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1k85 s ALA 582 CO 0.16 -2.23 1.19 0.45 0.00 0.00 0.00 175.76 175.34 1k85 s SER 583 N -2.46 6.07 -0.03 0.00 0.15 -1.26 -4.90 113.70 111.26 1k85 s SER 583 Ca 0.70 2.37 0.02 0.00 0.70 0.00 0.00 55.95 59.73 1k85 s SER 583 Cb -0.25 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.56 1k85 s SER 583 CO 0.52 -0.99 0.68 0.35 1.20 0.00 0.00 173.24 175.00 1k85 n THR 584 N -0.53 0.39 -3.21 6.45 -2.24 -1.26 -4.17 114.28 109.71 1k85 n THR 584 Ca 0.08 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 1k85 n THR 584 Cb 0.48 -0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.09 0.06 -0.95 3.42 8.00 -1.26 -4.94 116.55 120.96 1k85 n ASP 585 Ca 0.04 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.88 1k85 n ASP 585 Cb 0.38 -0.61 0.09 0.00 -0.02 0.00 0.00 41.12 40.97 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 1.60 2.41 -0.34 -2.24 6.94 -1.26 -3.93 115.26 118.44 1k85 n ASN 586 Ca 0.22 -2.27 0.07 0.00 -0.02 0.00 0.00 54.58 52.58 1k85 n ASN 586 Cb 0.52 -0.56 0.30 0.00 -2.36 0.00 0.00 39.78 37.69 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1k85 n VAL 587 N 0.14 0.18 0.00 3.53 0.31 -1.26 -4.24 118.33 116.99 1k85 n VAL 587 Ca 0.09 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1k85 n VAL 587 Cb 0.56 0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k85 n GLY 588 N 0.91 0.00 3.77 2.92 0.00 -1.25 -5.09 105.19 106.45 1k85 n GLY 588 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.57 2.65 -0.05 1.61 1.01 -1.26 -2.37 120.40 121.43 1k85 s VAL 589 Ca 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 1k85 s VAL 589 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1k85 s VAL 589 CO 0.00 0.14 -0.08 0.35 0.00 0.00 0.00 175.10 175.51 1k85 n THR 590 N 0.64 0.49 -4.18 3.92 -2.24 -0.56 -4.87 114.28 107.48 1k85 n THR 590 Ca 0.01 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1k85 n THR 590 Cb 0.42 -1.61 -0.06 0.00 -2.10 0.00 0.00 70.33 66.98 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 -4.98 1.95 -0.10 3.38 0.00 -1.21 -4.77 107.32 101.59 1k85 s GLY 591 Ca -0.08 -1.81 -0.01 0.00 0.00 0.00 0.00 44.72 42.81 1k85 s GLY 591 CO 0.11 -1.23 -0.05 -0.19 0.00 0.00 0.00 173.10 171.73 1k85 s TYR 592 N -3.16 1.24 -0.26 1.90 1.51 -0.21 -2.21 117.35 116.16 1k85 s TYR 592 Ca 0.36 -0.57 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 1k85 s TYR 592 Cb 0.01 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1k85 s TYR 592 CO 0.25 -0.45 0.19 -0.51 -1.11 0.00 0.00 175.55 173.91 1k85 s ASP 593 N 1.75 6.07 -0.12 2.29 1.01 -0.17 -1.59 116.67 125.91 1k85 s ASP 593 Ca 0.04 0.06 -0.06 0.00 0.71 0.00 0.00 52.55 53.30 1k85 s ASP 593 Cb -0.13 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1k85 s ASP 593 CO -0.07 -0.01 0.10 0.54 0.21 0.00 0.00 175.17 175.94 1k85 s VAL 594 N 1.47 5.15 0.29 -1.27 0.11 -1.10 -0.86 120.40 124.18 1k85 s VAL 594 Ca 0.08 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 1k85 s VAL 594 Cb -0.15 -3.24 -0.02 0.00 -1.53 0.00 0.00 36.38 31.44 1k85 s VAL 594 CO 0.08 0.59 0.43 -0.31 -3.33 0.00 0.00 175.10 172.55 1k85 s TYR 595 N -0.74 3.33 -0.36 1.54 2.02 0.65 -1.62 117.35 122.16 1k85 s TYR 595 Ca 0.13 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1k85 s TYR 595 Cb -0.12 -1.78 0.14 0.00 -0.40 0.00 0.00 41.96 39.81 1k85 s TYR 595 CO 0.03 0.22 0.23 1.21 -1.57 0.00 0.00 175.55 175.67 1k85 s ASN 596 N -4.06 2.73 -0.67 2.29 2.47 0.59 -2.51 114.94 115.77 1k85 s ASN 596 Ca 0.39 -2.25 -0.01 0.00 0.42 0.00 0.00 52.86 51.41 1k85 s ASN 596 Cb -0.09 -0.36 -0.01 0.00 -1.45 0.00 0.00 41.25 39.34 1k85 s ASN 596 CO 0.31 -0.29 0.63 0.61 -3.72 0.00 0.00 177.10 174.63 1k85 n GLY 597 N 3.93 -1.10 3.26 1.21 0.00 -0.82 -3.11 105.19 108.56 1k85 n GLY 597 Ca 0.14 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 1k85 n GLY 597 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 598 N -1.80 -1.03 -3.18 2.61 -2.24 -1.26 -4.91 114.28 102.47 1k85 n THR 598 Ca -0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1k85 n THR 598 Cb 0.51 -1.92 -0.02 0.00 -2.10 0.00 0.00 70.33 66.81 1k85 n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 599 N -2.91 -2.12 -0.15 6.98 0.00 -1.18 -5.13 121.76 117.24 1k85 s ALA 599 Ca 0.36 1.06 -0.39 0.00 0.00 0.00 0.00 51.96 52.99 1k85 s ALA 599 Cb -0.19 -2.36 -0.16 0.00 0.00 0.00 0.00 23.12 20.42 1k85 s ALA 599 CO 0.44 -1.70 1.65 -0.11 0.00 0.00 0.00 175.76 176.04 1k85 n LEU 600 N 5.41 2.31 0.00 0.00 0.00 -1.26 -0.30 117.00 123.15 1k85 n LEU 600 Ca 0.03 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.12 1k85 n LEU 600 Cb 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 42.76 1k85 n LEU 600 CO -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 177.39 176.80 1k85 n ALA 601 N 4.69 0.00 -2.01 1.96 0.00 -0.64 -4.77 120.51 119.74 1k85 n ALA 601 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 1k85 n ALA 601 Cb 0.16 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.66 1k85 n ALA 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1k85 s THR 602 N 0.58 2.77 -0.19 0.00 -1.32 -1.25 -4.99 115.64 111.24 1k85 s THR 602 Ca 0.00 -0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 59.94 1k85 s THR 602 Cb 0.00 -3.08 0.06 0.00 -1.51 0.00 0.00 72.50 67.97 1k85 s THR 602 CO 0.00 -0.07 0.08 -0.89 -2.21 0.00 0.00 174.62 171.53 1k85 s THR 603 N -2.88 0.12 0.03 5.08 2.01 -1.26 -2.73 115.64 116.01 1k85 s THR 603 Ca 0.57 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1k85 s THR 603 Cb -0.10 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1k85 s THR 603 CO 0.40 -0.30 0.03 1.33 -0.69 0.00 0.00 174.62 175.39 1k85 n VAL 604 N 5.20 0.00 -1.03 3.82 0.24 -0.62 -4.99 118.33 120.96 1k85 n VAL 604 Ca -0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1k85 n VAL 604 Cb 0.48 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1k85 n VAL 604 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1k85 n THR 605 N -0.66 0.00 0.00 3.34 -2.24 -1.26 -1.05 114.28 112.42 1k85 n THR 605 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k85 n THR 605 Cb 0.04 1.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 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 0.00 2.78 0.22 3.38 0.00 -1.26 -4.62 105.19 105.68 1k85 n GLY 606 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.39 2.61 -2.24 -1.26 -4.72 114.28 104.27 1k85 n THR 607 Ca 0.00 -0.42 -0.28 0.00 -2.27 0.00 0.00 64.05 61.08 1k85 n THR 607 Cb 0.00 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.15 2.46 -0.05 4.28 -4.23 -1.26 -2.62 115.64 113.07 1k85 s THR 608 Ca 0.07 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1k85 s THR 608 Cb 0.07 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.78 1k85 s THR 608 CO 0.20 -0.04 -0.00 0.00 -0.54 0.00 0.00 174.62 174.23 1k85 s ALA 609 N -1.47 0.56 -0.13 3.99 0.00 -0.81 -4.71 121.76 119.19 1k85 s ALA 609 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1k85 s ALA 609 Cb -0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1k85 s ALA 609 CO 0.09 -0.29 0.01 0.99 0.00 0.00 0.00 175.76 176.56 1k85 s THR 610 N 1.58 4.34 -0.03 0.00 2.01 -1.26 -1.65 115.64 120.63 1k85 s THR 610 Ca -0.01 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1k85 s THR 610 Cb -0.13 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 1k85 s THR 610 CO -0.03 0.54 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.56 1k85 s ILE 611 N -0.20 1.95 0.31 1.82 1.09 -0.37 -4.71 121.20 121.09 1k85 s ILE 611 Ca 0.05 -1.04 0.10 0.00 -1.10 0.00 0.00 60.65 58.67 1k85 s ILE 611 Cb -0.12 -1.63 -0.05 0.00 -1.06 0.00 0.00 42.46 39.60 1k85 s ILE 611 CO 0.02 0.55 -0.09 -0.44 -0.10 0.00 0.00 174.94 174.88 1k85 s SER 612 N -0.45 3.94 -0.31 3.58 0.01 -1.26 -2.55 113.70 116.67 1k85 s SER 612 Ca 0.06 -0.99 -0.10 0.00 1.31 0.00 0.00 55.95 56.23 1k85 s SER 612 Cb -0.11 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.67 1k85 s SER 612 CO 0.00 -0.09 0.41 0.61 0.41 0.00 0.00 173.24 174.58 1k85 n GLY 613 N -0.79 -1.10 3.13 3.44 0.00 -1.01 -4.97 105.19 103.88 1k85 n GLY 613 Ca -0.05 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 46.62 1k85 n GLY 613 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k85 s LEU 614 N -2.20 2.38 0.45 0.99 2.96 -0.95 -5.01 118.68 117.30 1k85 s LEU 614 Ca 0.15 -0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1k85 s LEU 614 Cb -0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1k85 s LEU 614 CO 0.52 -0.31 0.69 0.00 -1.32 0.00 0.00 176.35 175.93 1k85 s ALA 615 N -2.44 3.66 0.38 5.97 0.00 -1.26 -4.38 121.76 123.69 1k85 s ALA 615 Ca 0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 1k85 s ALA 615 Cb -0.03 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1k85 s ALA 615 CO -0.02 -0.37 0.68 0.00 0.00 0.00 0.00 175.76 176.05 1k85 s ALA 616 N -2.59 3.50 -1.28 0.00 0.00 -1.26 -4.40 121.76 115.73 1k85 s ALA 616 Ca 0.48 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.66 1k85 s ALA 616 Cb -0.10 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1k85 s ALA 616 CO 0.39 -0.03 0.56 -0.40 0.00 0.00 0.00 175.76 176.28 1k85 n ASP 617 N -1.52 -3.20 -4.08 0.00 5.68 -0.52 -4.91 116.55 108.00 1k85 n ASP 617 Ca -0.00 -1.29 -0.15 0.00 -0.50 0.00 0.00 54.79 52.84 1k85 n ASP 617 Cb 0.55 -1.69 -0.12 0.00 -1.14 0.00 0.00 41.12 38.72 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1k85 s THR 618 N -3.69 0.71 -0.07 2.12 2.01 -1.26 -4.89 115.64 110.57 1k85 s THR 618 Ca 0.40 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1k85 s THR 618 Cb -0.22 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1k85 s THR 618 CO 0.98 -0.27 0.68 -0.94 -0.69 0.00 0.00 174.62 174.38 1k85 s SER 619 N -1.44 6.97 -0.02 3.53 1.04 -1.26 -2.38 113.70 120.14 1k85 s SER 619 Ca -0.06 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.55 1k85 s SER 619 Cb -0.09 -2.40 0.01 0.00 0.10 0.00 0.00 66.02 63.64 1k85 s SER 619 CO 0.01 -0.10 -0.06 -0.31 0.98 0.00 0.00 173.24 173.76 1k85 s TYR 620 N 0.74 0.67 -0.14 5.02 2.02 -0.89 -5.00 117.35 119.77 1k85 s TYR 620 Ca 0.36 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1k85 s TYR 620 Cb -0.18 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 1k85 s TYR 620 CO 0.18 -0.09 -0.13 0.95 -1.57 0.00 0.00 175.55 174.88 1k85 s THR 621 N 0.34 2.96 0.40 -0.71 -4.23 -1.25 -1.78 115.64 111.35 1k85 s THR 621 Ca -0.04 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 1k85 s THR 621 Cb -0.08 -2.25 -0.08 0.00 1.34 0.00 0.00 72.50 71.43 1k85 s THR 621 CO -0.00 0.52 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.22 1k85 s PHE 622 N 0.55 2.49 -0.11 3.99 0.08 -0.81 -1.93 117.98 122.24 1k85 s PHE 622 Ca -0.09 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.03 1k85 s PHE 622 Cb -0.16 -1.69 0.11 0.00 -0.57 0.00 0.00 43.02 40.72 1k85 s PHE 622 CO 0.04 0.47 0.93 0.95 -0.10 0.00 0.00 175.22 177.51 1k85 s THR 623 N -2.69 0.00 0.22 0.64 -4.23 -1.04 -2.20 115.64 106.33 1k85 s THR 623 Ca 0.34 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.97 1k85 s THR 623 Cb 0.08 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.88 1k85 s THR 623 CO 0.18 0.00 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.36 1k85 s VAL 624 N -1.65 2.54 -0.00 2.29 1.01 -1.26 -0.25 120.40 123.07 1k85 s VAL 624 Ca -0.01 -2.07 -0.01 0.00 0.00 0.00 0.00 61.98 59.89 1k85 s VAL 624 Cb -0.01 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1k85 s VAL 624 CO -0.00 -0.19 0.02 -0.54 0.00 0.00 0.00 175.10 174.38 1k85 s LYS 625 N -2.93 0.11 -0.21 2.72 -0.14 -0.04 -0.81 119.74 118.44 1k85 s LYS 625 Ca 0.24 -0.13 -0.09 0.00 -1.36 0.00 0.00 55.97 54.63 1k85 s LYS 625 Cb -0.07 0.04 -0.05 0.00 -1.68 0.00 0.00 37.83 36.08 1k85 s LYS 625 CO 0.12 -0.02 0.12 0.00 -0.76 0.00 0.00 175.35 174.81 1k85 s ALA 626 N -0.38 3.56 -0.02 5.17 0.00 -1.26 -1.00 121.76 127.83 1k85 s ALA 626 Ca -0.04 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1k85 s ALA 626 Cb -0.03 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1k85 s ALA 626 CO -0.00 0.04 -0.23 -1.59 0.00 0.00 0.00 175.76 173.98 1k85 s LYS 627 N 0.61 2.19 0.38 0.00 0.00 -0.94 -1.13 119.74 120.85 1k85 s LYS 627 Ca 0.06 -0.88 0.08 0.00 0.00 0.00 0.00 55.97 55.23 1k85 s LYS 627 Cb -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 37.83 35.57 1k85 s LYS 627 CO 0.01 0.57 0.40 0.16 0.00 0.00 0.00 175.35 176.49 1k85 s ASP 628 N -0.68 5.34 0.36 0.03 -4.77 -0.06 -1.49 116.67 115.39 1k85 s ASP 628 Ca 0.11 -0.55 0.10 0.00 -3.30 0.00 0.00 52.55 48.91 1k85 s ASP 628 Cb -0.10 -0.78 0.70 0.00 -1.09 0.00 0.00 42.92 41.65 1k85 s ASP 628 CO -0.00 -0.56 1.84 0.00 0.70 0.00 0.00 175.17 177.15 1k85 h ALA 629 N 1.01 1.39 0.00 2.11 0.00 -1.80 -2.29 119.26 119.67 1k85 h ALA 629 Ca -0.43 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1k85 h ALA 629 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k85 h ALA 629 CO 0.55 0.43 0.00 0.00 0.00 0.00 0.00 179.25 180.23 1k85 n ALA 630 N -2.48 2.54 -1.75 0.00 0.00 -1.26 -4.90 120.51 112.66 1k85 n ALA 630 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 1k85 n ALA 630 Cb 0.36 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.65 -0.43 3.09 0.00 0.00 -0.86 -4.94 105.19 102.70 1k85 n GLY 631 Ca 0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.18 -0.02 -0.06 1.61 0.01 -1.25 -4.94 114.94 108.11 1k85 s ASN 632 Ca 0.00 0.68 0.02 0.00 -0.71 0.00 0.00 52.86 52.85 1k85 s ASN 632 Cb -0.00 0.73 -0.03 0.00 0.41 0.00 0.00 41.25 42.36 1k85 s ASN 632 CO 0.12 -0.21 -0.11 0.68 -1.51 0.00 0.00 177.10 176.07 1k85 s VAL 633 N 2.00 3.33 0.00 1.60 -7.23 -1.26 -0.89 120.40 117.96 1k85 s VAL 633 Ca -0.04 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1k85 s VAL 633 Cb -0.11 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1k85 s VAL 633 CO -0.10 0.59 0.00 -1.54 -0.31 0.00 0.00 175.10 173.74 1k85 n SER 634 N 2.34 0.00 -4.88 4.85 3.41 -0.29 -4.82 113.62 114.23 1k85 n SER 634 Ca -0.18 -0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 57.64 1k85 n SER 634 Cb 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 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 -3.62 3.13 0.37 7.33 0.00 -1.26 -4.71 121.76 123.01 1k85 s ALA 635 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 1k85 s ALA 635 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 1k85 s ALA 635 CO 0.00 -0.73 1.08 0.00 0.00 0.00 0.00 175.76 176.12 1k85 s ALA 636 N -3.12 3.17 1.00 0.00 0.00 -1.26 -4.38 121.76 117.18 1k85 s ALA 636 Ca 0.54 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1k85 s ALA 636 Cb -0.11 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1k85 s ALA 636 CO 0.51 -0.26 0.00 0.45 0.00 0.00 0.00 175.76 176.46 1k85 n SER 637 N 0.25 -0.25 -4.77 0.00 2.88 0.01 -4.91 113.62 106.83 1k85 n SER 637 Ca 0.03 -0.19 -0.39 0.00 -1.33 0.00 0.00 58.87 57.00 1k85 n SER 637 Cb 0.48 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.88 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1k85 s ASN 638 N -1.39 7.49 -0.32 -3.46 3.04 -1.26 -4.73 114.94 114.30 1k85 s ASN 638 Ca 0.00 1.88 -0.29 0.00 0.04 0.00 0.00 52.86 54.49 1k85 s ASN 638 Cb 0.00 -2.59 0.02 0.00 -1.54 0.00 0.00 41.25 37.14 1k85 s ASN 638 CO 0.00 0.06 1.09 0.00 -3.04 0.00 0.00 177.10 175.21 1k85 s ALA 639 N -1.39 3.48 -0.18 1.71 0.00 -1.25 -4.40 121.76 119.73 1k85 s ALA 639 Ca 0.45 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 1k85 s ALA 639 Cb -0.22 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 1k85 s ALA 639 CO 0.28 -1.52 0.11 0.54 0.00 0.00 0.00 175.76 175.17 1k85 s VAL 640 N 3.72 5.26 -0.32 0.00 0.11 -0.93 -4.87 120.40 123.36 1k85 s VAL 640 Ca 0.46 0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 59.56 1k85 s VAL 640 Cb -0.12 -3.37 0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1k85 s VAL 640 CO 0.16 0.48 0.13 -0.55 -3.33 0.00 0.00 175.10 171.99 1k85 s SER 641 N 0.11 5.41 0.09 3.54 0.15 -1.26 -1.92 113.70 119.82 1k85 s SER 641 Ca 0.08 -0.74 0.09 0.00 0.70 0.00 0.00 55.95 56.09 1k85 s SER 641 Cb -0.11 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 1k85 s SER 641 CO -0.00 -0.24 -0.24 0.68 1.20 0.00 0.00 173.24 174.63 1k85 s VAL 642 N 1.54 1.99 -0.26 4.45 -7.23 -0.74 -4.97 120.40 115.19 1k85 s VAL 642 Ca 0.03 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1k85 s VAL 642 Cb -0.18 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.02 1k85 s VAL 642 CO 0.05 0.14 0.01 -0.75 -0.31 0.00 0.00 175.10 174.23 1k85 s LYS 643 N -1.67 3.07 0.00 4.82 2.20 -1.26 -2.09 119.74 124.80 1k85 s LYS 643 Ca 0.10 -0.85 0.31 0.00 -0.36 0.00 0.00 55.97 55.18 1k85 s LYS 643 Cb -0.10 -3.16 1.70 0.00 -1.51 0.00 0.00 37.83 34.76 1k85 s LYS 643 CO 0.04 -0.37 2.11 0.25 -0.36 0.00 0.00 175.35 177.01