#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 -1.72 -0.41 2.81 -1.26 -5.08 117.12 111.47 1k85 n MET 558 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 1k85 n MET 558 Cb 0.00 -0.43 0.06 0.00 -0.71 0.00 0.00 33.22 32.14 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k85 s ALA 559 N -1.95 2.34 1.08 3.04 0.00 -1.26 -5.02 121.76 119.98 1k85 s ALA 559 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1k85 s ALA 559 Cb 0.00 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.74 1k85 s ALA 559 CO 0.00 -1.53 0.29 -0.35 0.00 0.00 0.00 175.76 174.17 1k85 n PRO 560 N -2.14 -1.76 -3.81 0.00 -0.04 -1.26 -5.00 135.00 121.00 1k85 n PRO 560 Ca 0.14 -0.46 -0.36 0.00 -0.04 0.00 0.00 63.50 62.77 1k85 n PRO 560 Cb 0.50 -0.45 -0.07 0.00 -0.04 0.00 0.00 33.50 33.43 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 -1.51 5.46 0.21 0.52 -4.23 -1.26 -4.53 115.64 110.30 1k85 s THR 561 Ca 0.19 0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 60.60 1k85 s THR 561 Cb -0.02 -3.43 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 1k85 s THR 561 CO 0.15 0.54 1.53 0.00 -0.54 0.00 0.00 174.62 176.30 1k85 s ALA 562 N -0.40 3.73 0.70 3.99 0.00 -1.26 -4.60 121.76 123.93 1k85 s ALA 562 Ca 0.12 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1k85 s ALA 562 Cb -0.12 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.30 1k85 s ALA 562 CO 0.01 -0.79 0.07 -2.30 0.00 0.00 0.00 175.76 172.74 1k85 n PRO 563 N 3.23 0.14 -3.98 0.00 -0.02 -1.26 -4.92 135.00 128.18 1k85 n PRO 563 Ca 0.11 0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 1k85 n PRO 563 Cb 0.39 -1.40 -0.11 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.96 0.12 -1.06 3.45 -1.32 -1.22 -4.35 115.64 109.30 1k85 s THR 564 Ca 0.58 -0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 60.00 1k85 s THR 564 Cb -0.36 -0.40 -0.06 0.00 -1.51 0.00 0.00 72.50 70.16 1k85 s THR 564 CO 0.65 -0.54 0.91 -3.20 -2.21 0.00 0.00 174.62 170.23 1k85 n ASN 565 N 1.43 -6.45 -4.82 8.08 2.85 -1.26 -1.74 115.26 113.36 1k85 n ASN 565 Ca -0.23 -0.73 -0.31 0.00 -0.11 0.00 0.00 54.58 53.20 1k85 n ASN 565 Cb 0.56 -5.11 0.05 0.00 1.24 0.00 0.00 39.78 36.52 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 -5.48 3.13 0.29 1.20 2.96 -1.26 -4.02 118.68 115.50 1k85 s LEU 566 Ca 0.45 1.63 -0.20 0.00 -0.22 0.00 0.00 54.13 55.79 1k85 s LEU 566 Cb -0.06 -4.50 0.04 0.00 0.50 0.00 0.00 46.19 42.17 1k85 s LEU 566 CO 0.75 -1.46 0.79 0.00 -1.32 0.00 0.00 176.35 175.11 1k85 s ALA 567 N -3.04 -1.15 -0.05 5.97 0.00 0.95 -4.96 121.76 119.50 1k85 s ALA 567 Ca 0.58 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1k85 s ALA 567 Cb -0.14 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1k85 s ALA 567 CO 0.55 -1.03 -0.05 -1.54 0.00 0.00 0.00 175.76 173.69 1k85 s SER 568 N -3.00 1.09 0.00 0.00 1.04 -1.26 -1.51 113.70 110.05 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 -0.05 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1k85 s SER 568 CO 0.08 -0.05 0.00 0.35 0.98 0.00 0.00 173.24 174.60 1k85 n THR 569 N 4.08 0.00 -2.85 2.02 -2.24 -0.59 -4.93 114.28 109.77 1k85 n THR 569 Ca -0.24 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 1k85 n THR 569 Cb 0.51 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 3.15 -0.37 6.98 0.00 -1.26 -4.91 121.76 121.60 1k85 s ALA 570 Ca 0.00 -2.09 -0.00 0.00 0.00 0.00 0.00 51.96 49.87 1k85 s ALA 570 Cb 0.00 -3.95 0.10 0.00 0.00 0.00 0.00 23.12 19.26 1k85 s ALA 570 CO 0.00 -2.89 0.11 -1.14 0.00 0.00 0.00 175.76 171.84 1k85 s GLN 571 N 3.81 1.88 0.00 0.00 0.74 -1.26 -0.19 119.66 124.64 1k85 s GLN 571 Ca 0.26 -1.75 0.00 0.00 0.05 0.00 0.00 55.36 53.92 1k85 s GLN 571 Cb -0.13 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1k85 s GLN 571 CO 0.04 -0.95 0.00 0.25 -0.55 0.00 0.00 175.29 174.08 1k85 n THR 572 N 4.47 0.00 -0.58 -0.34 -2.24 -0.31 -4.97 114.28 110.31 1k85 n THR 572 Ca -0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1k85 n THR 572 Cb 0.42 -1.03 0.22 0.00 -2.10 0.00 0.00 70.33 67.83 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 2.42 0.01 4.28 -2.24 -1.26 -4.55 114.28 112.94 1k85 n THR 573 Ca 0.00 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 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 -0.17 -0.14 -4.58 3.42 3.41 -1.25 -4.36 113.62 109.95 1k85 n SER 574 Ca 0.34 0.04 -0.34 0.00 -0.26 0.00 0.00 58.87 58.65 1k85 n SER 574 Cb 1.20 0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 65.48 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 -2.00 5.20 0.03 4.04 1.04 -1.26 -3.17 113.70 117.59 1k85 s SER 575 Ca 0.00 0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.51 1k85 s SER 575 Cb 0.00 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.28 1k85 s SER 575 CO 0.00 0.21 -0.24 -0.51 0.98 0.00 0.00 173.24 173.68 1k85 s ILE 576 N 0.16 1.91 -0.28 -1.02 2.07 -0.79 -1.16 121.20 122.10 1k85 s ILE 576 Ca 0.01 -1.22 -0.07 0.00 -1.41 0.00 0.00 60.65 57.96 1k85 s ILE 576 Cb -0.13 -1.63 -0.01 0.00 0.13 0.00 0.00 42.46 40.82 1k85 s ILE 576 CO 0.02 0.36 0.08 -0.89 -1.91 0.00 0.00 174.94 172.60 1k85 s THR 577 N -0.73 4.15 -0.12 4.00 2.01 0.73 -2.64 115.64 123.04 1k85 s THR 577 Ca 0.10 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1k85 s THR 577 Cb -0.09 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1k85 s THR 577 CO 0.01 0.18 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.88 1k85 s LEU 578 N 1.56 3.34 -0.03 4.42 2.96 -0.77 -1.54 118.68 128.62 1k85 s LEU 578 Ca 0.04 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1k85 s LEU 578 Cb -0.16 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 1k85 s LEU 578 CO 0.03 0.27 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.66 1k85 s SER 579 N -0.25 1.54 0.23 3.68 0.15 -0.57 -1.39 113.70 117.10 1k85 s SER 579 Ca 0.05 -0.24 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 1k85 s SER 579 Cb -0.13 -0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 63.80 1k85 s SER 579 CO 0.02 0.11 0.38 -1.66 1.20 0.00 0.00 173.24 173.29 1k85 s TRP 580 N 0.05 0.57 -0.32 3.44 -2.14 -1.17 -0.03 118.94 119.33 1k85 s TRP 580 Ca -0.02 -0.89 -0.27 0.00 2.66 0.00 0.00 56.10 57.58 1k85 s TRP 580 Cb -0.09 -0.01 0.01 0.00 -3.10 0.00 0.00 33.47 30.28 1k85 s TRP 580 CO 0.01 -0.89 0.98 0.99 -2.66 0.00 0.00 176.95 175.38 1k85 s THR 581 N -4.05 4.60 0.78 0.66 2.01 -0.71 -4.87 115.64 114.05 1k85 s THR 581 Ca 0.26 1.55 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 1k85 s THR 581 Cb 0.01 -4.33 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1k85 s THR 581 CO 0.09 -0.42 1.21 0.00 -0.69 0.00 0.00 174.62 174.81 1k85 s ALA 582 N 3.44 1.96 0.04 7.40 0.00 -1.26 -3.43 121.76 129.90 1k85 s ALA 582 Ca 0.41 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 1k85 s ALA 582 Cb -0.13 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 1k85 s ALA 582 CO 0.15 -2.12 1.95 0.43 0.00 0.00 0.00 175.76 176.17 1k85 n SER 583 N -3.06 4.10 0.19 0.00 7.64 -1.26 -4.84 113.62 116.38 1k85 n SER 583 Ca 0.13 0.92 0.14 0.00 1.01 0.00 0.00 58.87 61.07 1k85 n SER 583 Cb 0.50 -1.52 0.65 0.00 -1.01 0.00 0.00 64.21 62.83 1k85 n SER 583 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1k85 h THR 584 N 5.51 0.00 0.10 0.44 2.02 -1.89 -3.17 112.91 115.92 1k85 h THR 584 Ca -0.49 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1k85 h THR 584 Cb 1.24 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1k85 h THR 584 CO 0.94 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 177.22 1k85 h ASP 585 N 0.00 -0.11 0.00 4.18 5.19 -1.94 -3.48 116.42 120.25 1k85 h ASP 585 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1k85 h ASP 585 Cb 0.18 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1k85 h ASP 585 CO 0.00 0.06 0.00 -3.20 -3.12 0.00 0.00 179.24 172.98 1k85 n ASN 586 N -3.16 0.00 -1.66 6.45 5.15 -1.20 -4.81 115.26 116.03 1k85 n ASN 586 Ca -0.02 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.91 1k85 n ASN 586 Cb 0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 1k85 n ASN 586 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1k85 n VAL 587 N 0.00 -0.10 0.00 3.44 3.14 -1.26 -3.65 118.33 119.90 1k85 n VAL 587 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1k85 n VAL 587 Cb 0.00 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 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 -0.30 0.00 3.73 7.55 0.00 -1.26 -5.13 105.19 109.77 1k85 n GLY 588 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.01 4.07 -0.24 1.61 1.01 -1.24 -2.60 120.40 123.01 1k85 s VAL 589 Ca 0.00 1.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.58 1k85 s VAL 589 Cb 0.00 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1k85 s VAL 589 CO 0.00 0.25 -0.29 1.07 0.00 0.00 0.00 175.10 176.13 1k85 n THR 590 N 2.82 1.30 -3.98 3.92 5.66 -1.02 -4.88 114.28 118.11 1k85 n THR 590 Ca 0.04 -0.36 -0.13 0.00 -3.05 0.00 0.00 64.05 60.55 1k85 n THR 590 Cb 0.47 -1.73 -0.02 0.00 -1.55 0.00 0.00 70.33 67.50 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 1.67 1.89 3.10 1.09 0.00 -1.20 -4.74 105.19 107.00 1k85 n GLY 591 Ca -0.46 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.88 1.71 -0.21 1.61 1.51 0.22 -2.36 117.35 116.95 1k85 s TYR 592 Ca 0.25 -0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1k85 s TYR 592 Cb -0.02 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 1k85 s TYR 592 CO 0.18 -0.24 0.01 -0.51 -1.11 0.00 0.00 175.55 173.88 1k85 s ASP 593 N 0.33 4.84 -0.14 2.29 1.01 -0.26 -1.54 116.67 123.20 1k85 s ASP 593 Ca -0.10 -0.22 -0.08 0.00 0.71 0.00 0.00 52.55 52.86 1k85 s ASP 593 Cb -0.14 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 1k85 s ASP 593 CO 0.04 0.03 0.14 0.54 0.21 0.00 0.00 175.17 176.14 1k85 s VAL 594 N 1.18 5.48 -0.01 -1.27 0.11 -1.14 -0.63 120.40 124.12 1k85 s VAL 594 Ca 0.03 0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 1k85 s VAL 594 Cb -0.14 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1k85 s VAL 594 CO 0.01 0.58 0.20 -0.31 -3.33 0.00 0.00 175.10 172.25 1k85 s TYR 595 N -0.69 3.56 -0.60 1.54 2.02 0.85 -1.04 117.35 122.98 1k85 s TYR 595 Ca 0.14 0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 57.25 1k85 s TYR 595 Cb -0.12 -1.87 0.15 0.00 -0.40 0.00 0.00 41.96 39.72 1k85 s TYR 595 CO 0.03 0.65 0.40 1.21 -1.57 0.00 0.00 175.55 176.26 1k85 s ASN 596 N -1.82 4.95 0.00 2.29 3.04 -0.11 -1.97 114.94 121.31 1k85 s ASN 596 Ca 0.26 -2.96 0.00 0.00 0.04 0.00 0.00 52.86 50.20 1k85 s ASN 596 Cb -0.13 -1.78 0.00 0.00 -1.54 0.00 0.00 41.25 37.80 1k85 s ASN 596 CO 0.17 -0.31 0.00 0.61 -3.04 0.00 0.00 177.10 174.53 1k85 n GLY 597 N 3.29 2.22 0.00 1.21 0.00 -0.23 -2.94 105.19 108.73 1k85 n GLY 597 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.94 2.61 -2.24 -1.26 -5.02 114.28 103.44 1k85 n THR 598 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1k85 n THR 598 Cb 0.00 0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.53 0.50 6.98 0.00 -1.15 -5.10 121.76 125.51 1k85 s ALA 599 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 1k85 s ALA 599 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 23.12 22.02 1k85 s ALA 599 CO 0.00 0.40 0.58 -0.11 0.00 0.00 0.00 175.76 176.63 1k85 n LEU 600 N 2.96 0.63 0.00 0.00 7.94 -1.26 -0.94 117.00 126.33 1k85 n LEU 600 Ca -0.18 0.83 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 1k85 n LEU 600 Cb 0.52 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.31 1k85 n LEU 600 CO 0.28 -2.84 0.00 0.00 -1.11 0.00 0.00 177.39 173.72 1k85 n ALA 601 N -1.24 0.00 -2.06 1.96 0.00 -0.21 -4.61 120.51 114.35 1k85 n ALA 601 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 1k85 n ALA 601 Cb 0.44 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 1.67 3.02 -0.06 0.00 -1.32 -1.25 -4.97 115.64 112.73 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 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.26 1k85 s THR 603 N -2.83 1.12 0.31 5.08 2.01 -1.26 -2.86 115.64 117.20 1k85 s THR 603 Ca 0.55 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.11 1k85 s THR 603 Cb -0.10 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1k85 s THR 603 CO 0.40 0.35 0.14 1.33 -0.69 0.00 0.00 174.62 176.15 1k85 n VAL 604 N 3.73 0.00 -1.83 3.82 0.24 -0.59 -4.95 118.33 118.74 1k85 n VAL 604 Ca -0.22 -1.92 0.00 0.00 -2.04 0.00 0.00 64.34 60.15 1k85 n VAL 604 Cb 0.52 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.69 0.00 0.00 3.34 -2.24 -1.26 -0.61 114.28 112.82 1k85 n THR 605 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1k85 n THR 605 Cb 0.49 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 2.90 0.00 3.38 0.00 -1.26 -4.79 105.19 105.42 1k85 n GLY 606 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.51 -3.89 2.61 -2.24 -1.26 -4.88 114.28 105.14 1k85 n THR 607 Ca 0.00 -0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1k85 n THR 607 Cb 0.00 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.51 0.03 0.09 4.28 -4.23 -1.26 -3.07 115.64 110.97 1k85 s THR 608 Ca 0.00 -0.02 0.09 0.00 -1.18 0.00 0.00 61.69 60.58 1k85 s THR 608 Cb 0.00 -0.04 -0.03 0.00 1.34 0.00 0.00 72.50 73.77 1k85 s THR 608 CO 0.00 0.00 -0.24 0.00 -0.54 0.00 0.00 174.62 173.85 1k85 s ALA 609 N -0.02 2.06 -0.26 3.99 0.00 -0.48 -4.78 121.76 122.27 1k85 s ALA 609 Ca 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1k85 s ALA 609 Cb -0.00 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.83 1k85 s ALA 609 CO -0.00 0.46 -0.08 0.99 0.00 0.00 0.00 175.76 177.13 1k85 s THR 610 N -0.99 1.95 -0.21 0.00 2.01 -1.26 -1.86 115.64 115.28 1k85 s THR 610 Ca 0.10 -1.56 -0.09 0.00 0.31 0.00 0.00 61.69 60.46 1k85 s THR 610 Cb -0.10 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1k85 s THR 610 CO 0.04 -0.11 0.11 -0.63 -0.69 0.00 0.00 174.62 173.34 1k85 s ILE 611 N 1.19 4.99 0.34 1.82 1.09 -1.08 -4.70 121.20 124.84 1k85 s ILE 611 Ca -0.06 0.05 0.09 0.00 -1.10 0.00 0.00 60.65 59.62 1k85 s ILE 611 Cb -0.20 -3.29 -0.05 0.00 -1.06 0.00 0.00 42.46 37.86 1k85 s ILE 611 CO -0.06 0.40 0.03 -0.94 -0.10 0.00 0.00 174.94 174.27 1k85 s SER 612 N 0.80 4.26 0.00 3.58 1.04 -1.26 -1.89 113.70 120.24 1k85 s SER 612 Ca 0.05 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1k85 s SER 612 Cb -0.13 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1k85 s SER 612 CO 0.02 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1k85 n GLY 613 N -0.99 0.57 3.42 7.32 0.00 -1.19 -5.00 105.19 109.33 1k85 n GLY 613 Ca -0.04 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.35 2.44 0.15 0.99 1.43 -1.19 -5.07 118.68 116.09 1k85 s LEU 614 Ca 0.00 -0.78 0.10 0.00 -1.03 0.00 0.00 54.13 52.42 1k85 s LEU 614 Cb 0.00 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1k85 s LEU 614 CO 0.00 0.15 -0.20 0.00 0.23 0.00 0.00 176.35 176.53 1k85 s ALA 615 N -1.39 2.63 0.95 4.21 0.00 -1.26 -3.95 121.76 122.95 1k85 s ALA 615 Ca 0.18 -1.48 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 1k85 s ALA 615 Cb -0.09 -0.52 0.17 0.00 0.00 0.00 0.00 23.12 22.68 1k85 s ALA 615 CO 0.09 0.51 1.24 0.00 0.00 0.00 0.00 175.76 177.59 1k85 s ALA 616 N -1.40 2.05 -1.68 0.00 0.00 -1.26 -4.01 121.76 115.46 1k85 s ALA 616 Ca 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1k85 s ALA 616 Cb -0.09 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1k85 s ALA 616 CO 0.10 -2.39 0.00 -3.47 0.00 0.00 0.00 175.76 170.01 1k85 n ASP 617 N -3.79 -4.95 -4.27 0.00 -0.08 -1.20 -4.95 116.55 97.31 1k85 n ASP 617 Ca 0.12 0.23 -0.15 0.00 -1.51 0.00 0.00 54.79 53.48 1k85 n ASP 617 Cb 0.60 -4.27 -0.10 0.00 2.34 0.00 0.00 41.12 39.68 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1k85 s THR 618 N -2.71 1.10 -0.04 5.18 2.01 -1.26 -5.02 115.64 114.90 1k85 s THR 618 Ca 0.00 -2.05 0.06 0.00 0.31 0.00 0.00 61.69 60.01 1k85 s THR 618 Cb 0.00 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1k85 s THR 618 CO 0.00 -0.63 -0.23 -0.55 -0.69 0.00 0.00 174.62 172.52 1k85 s SER 619 N -3.20 2.77 0.28 3.53 0.15 -1.26 -0.74 113.70 115.23 1k85 s SER 619 Ca 0.20 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.42 1k85 s SER 619 Cb 0.04 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 1k85 s SER 619 CO 0.03 0.25 0.13 -0.31 1.20 0.00 0.00 173.24 174.54 1k85 s TYR 620 N -0.29 1.54 -0.16 3.44 2.02 -0.32 -4.99 117.35 118.59 1k85 s TYR 620 Ca 0.02 -1.31 -0.05 0.00 -0.37 0.00 0.00 57.07 55.37 1k85 s TYR 620 Cb -0.11 -0.85 0.06 0.00 -0.40 0.00 0.00 41.96 40.66 1k85 s TYR 620 CO 0.01 -0.47 0.08 0.95 -1.57 0.00 0.00 175.55 174.56 1k85 s THR 621 N -3.70 -0.04 0.35 -0.71 -4.23 -1.26 -1.14 115.64 104.91 1k85 s THR 621 Ca 0.37 -0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1k85 s THR 621 Cb 0.06 -0.58 -0.01 0.00 1.34 0.00 0.00 72.50 73.31 1k85 s THR 621 CO 0.16 -0.24 0.49 -0.36 -0.54 0.00 0.00 174.62 174.12 1k85 s PHE 622 N 2.12 3.09 0.01 3.99 0.08 -0.95 -1.07 117.98 125.26 1k85 s PHE 622 Ca 0.02 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.57 1k85 s PHE 622 Cb -0.16 -2.04 0.07 0.00 -0.57 0.00 0.00 43.02 40.32 1k85 s PHE 622 CO -0.09 -0.06 0.64 0.95 -0.10 0.00 0.00 175.22 176.56 1k85 s THR 623 N -2.21 0.00 0.13 0.64 -4.23 -0.83 -2.23 115.64 106.91 1k85 s THR 623 Ca 0.46 -0.02 0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1k85 s THR 623 Cb -0.10 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 1k85 s THR 623 CO 0.32 -0.01 -0.23 0.68 -0.54 0.00 0.00 174.62 174.83 1k85 s VAL 624 N -1.98 2.49 0.04 2.29 -7.23 -1.26 -0.10 120.40 114.64 1k85 s VAL 624 Ca -0.07 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 1k85 s VAL 624 Cb -0.00 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1k85 s VAL 624 CO 0.03 0.09 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.29 1k85 s LYS 625 N -2.11 0.53 -0.17 4.82 1.02 0.20 -1.08 119.74 122.95 1k85 s LYS 625 Ca 0.16 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1k85 s LYS 625 Cb -0.10 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 1k85 s LYS 625 CO 0.08 0.05 0.02 0.00 -0.92 0.00 0.00 175.35 174.57 1k85 s ALA 626 N -1.42 3.21 0.01 5.17 0.00 -1.26 -1.11 121.76 126.37 1k85 s ALA 626 Ca -0.10 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1k85 s ALA 626 Cb -0.10 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1k85 s ALA 626 CO 0.00 0.15 -0.16 -1.59 0.00 0.00 0.00 175.76 174.16 1k85 s LYS 627 N 0.45 1.21 0.41 0.00 -2.85 -0.99 -2.67 119.74 115.29 1k85 s LYS 627 Ca 0.00 -0.70 0.08 0.00 -1.00 0.00 0.00 55.97 54.35 1k85 s LYS 627 Cb -0.13 -1.21 -0.01 0.00 -2.06 0.00 0.00 37.83 34.41 1k85 s LYS 627 CO 0.02 0.32 0.44 0.16 0.10 0.00 0.00 175.35 176.39 1k85 s ASP 628 N -0.75 5.29 -0.23 0.03 -4.77 -0.91 -2.42 116.67 112.90 1k85 s ASP 628 Ca 0.05 -0.61 -0.04 0.00 -3.30 0.00 0.00 52.55 48.65 1k85 s ASP 628 Cb -0.07 -0.63 -0.07 0.00 -1.09 0.00 0.00 42.92 41.06 1k85 s ASP 628 CO 0.00 -0.68 3.03 0.00 0.70 0.00 0.00 175.17 178.23 1k85 n ALA 629 N -1.65 6.19 -1.99 2.11 0.00 -1.07 -3.25 120.51 120.85 1k85 n ALA 629 Ca 0.05 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1k85 n ALA 629 Cb 0.61 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1k85 n ALA 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k85 n ALA 630 N 1.54 0.31 -1.14 0.00 0.00 -1.26 -5.05 120.51 114.91 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 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 0.00 0.75 2.74 0.00 0.00 -1.20 -5.09 105.19 102.38 1k85 n GLY 631 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.62 1.56 -0.04 1.61 -0.87 -1.26 -4.99 114.94 108.32 1k85 s ASN 632 Ca 0.00 -0.41 0.06 0.00 -1.57 0.00 0.00 52.86 50.95 1k85 s ASN 632 Cb 0.00 0.39 -0.02 0.00 -0.02 0.00 0.00 41.25 41.60 1k85 s ASN 632 CO 0.00 -0.35 -0.23 0.68 -2.57 0.00 0.00 177.10 174.63 1k85 s VAL 633 N 2.33 2.26 0.00 1.60 -7.23 -1.26 -2.15 120.40 115.94 1k85 s VAL 633 Ca 0.08 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1k85 s VAL 633 Cb -0.15 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1k85 s VAL 633 CO -0.19 0.58 0.00 -0.24 -0.31 0.00 0.00 175.10 174.94 1k85 n SER 634 N 2.64 0.00 -4.64 4.85 2.88 -1.09 -4.92 113.62 113.34 1k85 n SER 634 Ca -0.17 -0.70 -0.29 0.00 -1.33 0.00 0.00 58.87 56.38 1k85 n SER 634 Cb 0.52 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.14 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 -3.21 1.39 0.16 -1.46 0.00 -1.26 -4.76 121.76 112.62 1k85 s ALA 635 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1k85 s ALA 635 Cb 0.00 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1k85 s ALA 635 CO 0.00 -2.61 0.82 0.00 0.00 0.00 0.00 175.76 173.97 1k85 s ALA 636 N -3.18 3.40 1.41 0.00 0.00 -1.26 -4.50 121.76 117.63 1k85 s ALA 636 Ca 0.65 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 1k85 s ALA 636 Cb -0.15 -3.03 0.36 0.00 0.00 0.00 0.00 23.12 20.30 1k85 s ALA 636 CO 0.55 0.22 0.96 0.45 0.00 0.00 0.00 175.76 177.94 1k85 s SER 637 N -0.90 -0.92 0.59 0.00 0.15 -0.24 -4.94 113.70 107.45 1k85 s SER 637 Ca 0.38 0.70 -0.20 0.00 0.70 0.00 0.00 55.95 57.53 1k85 s SER 637 Cb -0.23 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.10 1k85 s SER 637 CO 0.27 -5.26 1.21 -3.20 1.20 0.00 0.00 173.24 167.47 1k85 n ASN 638 N -5.54 1.88 -4.70 5.45 5.15 -1.26 -4.69 115.26 111.55 1k85 n ASN 638 Ca 0.14 0.88 -0.41 0.00 -0.60 0.00 0.00 54.58 54.59 1k85 n ASN 638 Cb 0.61 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 38.31 1k85 n ASN 638 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k85 s ALA 639 N -1.38 3.31 -0.28 5.20 0.00 -1.26 -4.65 121.76 122.69 1k85 s ALA 639 Ca 0.77 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 1k85 s ALA 639 Cb -0.41 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1k85 s ALA 639 CO 0.46 -0.30 0.05 0.14 0.00 0.00 0.00 175.76 176.10 1k85 s VAL 640 N 1.25 3.74 -0.71 0.00 -7.23 -0.95 -4.97 120.40 111.53 1k85 s VAL 640 Ca 0.44 -0.75 -0.27 0.00 -1.81 0.00 0.00 61.98 59.59 1k85 s VAL 640 Cb -0.19 -2.92 0.03 0.00 0.56 0.00 0.00 36.38 33.86 1k85 s VAL 640 CO 0.21 0.11 1.28 -0.44 -0.31 0.00 0.00 175.10 175.95 1k85 s SER 641 N 1.47 6.19 -0.43 4.85 0.01 -1.26 -2.24 113.70 122.28 1k85 s SER 641 Ca 0.02 -0.35 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 1k85 s SER 641 Cb -0.17 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.54 1k85 s SER 641 CO 0.01 -1.79 0.33 -0.69 0.41 0.00 0.00 173.24 171.51 1k85 s VAL 642 N 5.68 5.25 -0.75 3.43 1.01 -0.29 -4.96 120.40 129.77 1k85 s VAL 642 Ca 0.37 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1k85 s VAL 642 Cb -0.08 -3.98 0.13 0.00 0.00 0.00 0.00 36.38 32.45 1k85 s VAL 642 CO 0.17 -0.38 0.86 -0.75 0.00 0.00 0.00 175.10 175.00 1k85 s LYS 643 N 1.69 3.33 0.00 2.72 2.36 -1.26 -1.17 119.74 127.40 1k85 s LYS 643 Ca 0.05 -1.65 0.32 0.00 -2.55 0.00 0.00 55.97 52.14 1k85 s LYS 643 Cb -0.20 -4.49 1.90 0.00 -1.05 0.00 0.00 37.83 33.99 1k85 s LYS 643 CO 0.09 -1.58 2.23 0.25 1.55 0.00 0.00 175.35 177.89