#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 1.09 -1.45 -0.41 2.81 -1.26 -4.90 117.12 113.01 1k85 n MET 558 Ca 0.00 -0.14 -0.36 0.00 -1.81 0.00 0.00 57.70 55.39 1k85 n MET 558 Cb 0.00 -1.29 0.09 0.00 -0.71 0.00 0.00 33.22 31.31 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k85 n ALA 559 N -0.63 0.46 -1.00 3.04 0.00 -1.26 -4.98 120.51 116.13 1k85 n ALA 559 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1k85 n ALA 559 Cb 0.10 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1k85 n ALA 559 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1k85 n PRO 560 N -2.29 2.24 -4.57 0.00 -0.04 -1.26 -4.93 135.00 124.15 1k85 n PRO 560 Ca 0.15 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.27 1k85 n PRO 560 Cb 0.49 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.81 1k85 n PRO 560 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k85 s THR 561 N 0.00 3.11 0.23 0.52 2.01 -1.26 -4.63 115.64 115.62 1k85 s THR 561 Ca 0.00 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 61.06 1k85 s THR 561 Cb 0.00 -2.33 -0.11 0.00 0.01 0.00 0.00 72.50 70.07 1k85 s THR 561 CO 0.00 0.51 1.64 0.00 -0.69 0.00 0.00 174.62 176.07 1k85 s ALA 562 N 0.59 3.84 0.96 7.40 0.00 -1.26 -4.55 121.76 128.74 1k85 s ALA 562 Ca -0.07 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 1k85 s ALA 562 Cb -0.15 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.24 1k85 s ALA 562 CO 0.03 -0.90 -0.25 -2.30 0.00 0.00 0.00 175.76 172.34 1k85 n PRO 563 N 3.39 -0.11 -4.25 0.00 -0.02 -1.26 -4.91 135.00 127.84 1k85 n PRO 563 Ca 0.13 -0.01 -0.18 0.00 -2.02 0.00 0.00 63.50 61.42 1k85 n PRO 563 Cb 0.37 -1.38 -0.15 0.00 -0.02 0.00 0.00 33.50 32.32 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 -2.16 0.56 -0.36 3.45 -4.23 -1.20 -4.48 115.64 107.21 1k85 s THR 564 Ca 0.48 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 1k85 s THR 564 Cb -0.20 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.16 1k85 s THR 564 CO 0.75 0.17 0.36 -3.20 -0.54 0.00 0.00 174.62 172.16 1k85 n ASN 565 N 3.12 -7.67 -4.92 3.99 5.15 -1.26 -2.05 115.26 111.62 1k85 n ASN 565 Ca -0.16 0.78 -0.26 0.00 -0.60 0.00 0.00 54.58 54.34 1k85 n ASN 565 Cb 0.56 -4.77 -0.01 0.00 -0.53 0.00 0.00 39.78 35.03 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1k85 s LEU 566 N -2.15 3.83 0.20 1.20 2.96 -1.26 -3.72 118.68 119.74 1k85 s LEU 566 Ca 0.16 0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 54.56 1k85 s LEU 566 Cb -0.04 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 43.08 1k85 s LEU 566 CO 0.73 -0.42 0.68 0.00 -1.32 0.00 0.00 176.35 176.02 1k85 s ALA 567 N -2.50 -1.46 -0.07 5.97 0.00 0.07 -4.95 121.76 118.82 1k85 s ALA 567 Ca 0.44 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1k85 s ALA 567 Cb -0.10 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1k85 s ALA 567 CO 0.40 -0.89 -0.09 -1.54 0.00 0.00 0.00 175.76 173.64 1k85 s SER 568 N -2.81 4.45 0.00 0.00 1.04 -1.26 -1.26 113.70 113.86 1k85 s SER 568 Ca 0.06 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1k85 s SER 568 Cb -0.03 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.92 1k85 s SER 568 CO -0.04 0.33 0.00 0.35 0.98 0.00 0.00 173.24 174.86 1k85 n THR 569 N 2.44 0.00 -2.95 2.02 -2.24 -1.02 -4.95 114.28 107.59 1k85 n THR 569 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1k85 n THR 569 Cb 0.53 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.34 3.22 0.02 6.98 0.00 -1.26 -4.90 121.76 123.49 1k85 s ALA 570 Ca 0.00 -1.70 0.07 0.00 0.00 0.00 0.00 51.96 50.33 1k85 s ALA 570 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1k85 s ALA 570 CO 0.00 -2.45 -0.21 -1.14 0.00 0.00 0.00 175.76 171.95 1k85 s GLN 571 N 3.56 2.04 0.00 0.00 -0.44 -1.26 0.24 119.66 123.80 1k85 s GLN 571 Ca 0.22 -0.98 0.00 0.00 -2.50 0.00 0.00 55.36 52.10 1k85 s GLN 571 Cb -0.17 -2.12 0.00 0.00 -1.64 0.00 0.00 33.01 29.08 1k85 s GLN 571 CO 0.13 0.54 0.00 0.25 0.50 0.00 0.00 175.29 176.71 1k85 n THR 572 N 1.85 0.00 1.44 -0.34 -2.24 0.12 -4.98 114.28 110.12 1k85 n THR 572 Ca -0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1k85 n THR 572 Cb 0.52 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.24 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 0.06 0.00 4.28 -2.24 -1.26 -4.53 114.28 110.58 1k85 n THR 573 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1k85 n THR 573 Cb 0.00 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.19 -0.00 -4.97 3.42 3.41 -1.26 -3.96 113.62 110.44 1k85 n SER 574 Ca 0.18 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.61 1k85 n SER 574 Cb 0.34 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 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 -4.69 5.68 -0.08 4.04 1.04 -1.26 -2.44 113.70 115.98 1k85 s SER 575 Ca 0.00 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 55.83 1k85 s SER 575 Cb 0.00 -0.94 0.05 0.00 0.10 0.00 0.00 66.02 65.23 1k85 s SER 575 CO 0.00 -0.55 0.54 -0.51 0.98 0.00 0.00 173.24 173.70 1k85 s ILE 576 N -2.28 0.02 -0.03 -1.02 2.07 -0.78 -0.70 121.20 118.47 1k85 s ILE 576 Ca 0.48 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.60 1k85 s ILE 576 Cb -0.08 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 1k85 s ILE 576 CO 0.31 -0.08 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.32 1k85 s THR 577 N -0.85 3.79 -0.03 4.00 2.01 0.14 -1.84 115.64 122.85 1k85 s THR 577 Ca -0.09 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1k85 s THR 577 Cb -0.03 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.88 1k85 s THR 577 CO 0.06 0.49 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.18 1k85 s LEU 578 N -1.16 1.63 -0.01 4.42 2.96 -0.07 -2.43 118.68 124.02 1k85 s LEU 578 Ca 0.15 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 1k85 s LEU 578 Cb -0.11 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 1k85 s LEU 578 CO 0.05 0.02 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.39 1k85 s SER 579 N 0.47 1.90 0.25 3.68 0.15 -0.39 -1.24 113.70 118.52 1k85 s SER 579 Ca -0.07 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 1k85 s SER 579 Cb -0.11 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1k85 s SER 579 CO 0.01 0.20 0.55 -1.66 1.20 0.00 0.00 173.24 173.54 1k85 s TRP 580 N -0.38 0.17 0.17 3.44 -2.14 -1.25 -0.75 118.94 118.22 1k85 s TRP 580 Ca 0.06 -0.56 -0.28 0.00 2.66 0.00 0.00 56.10 57.97 1k85 s TRP 580 Cb -0.06 0.35 -0.08 0.00 -3.10 0.00 0.00 33.47 30.58 1k85 s TRP 580 CO -0.01 -1.06 0.89 0.99 -2.66 0.00 0.00 176.95 175.10 1k85 s THR 581 N -3.98 4.31 1.07 0.66 2.01 -0.87 -4.92 115.64 113.91 1k85 s THR 581 Ca 0.18 1.94 -0.14 0.00 0.31 0.00 0.00 61.69 63.99 1k85 s THR 581 Cb -0.02 -4.26 0.22 0.00 0.01 0.00 0.00 72.50 68.45 1k85 s THR 581 CO 0.08 0.45 1.09 0.00 -0.69 0.00 0.00 174.62 175.55 1k85 s ALA 582 N -0.77 0.74 1.15 7.40 0.00 -1.26 -3.28 121.76 125.73 1k85 s ALA 582 Ca 0.41 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 1k85 s ALA 582 Cb -0.24 -3.06 0.27 0.00 0.00 0.00 0.00 23.12 20.09 1k85 s ALA 582 CO 0.29 -3.12 1.19 -1.54 0.00 0.00 0.00 175.76 172.59 1k85 s SER 583 N -3.52 1.45 -0.00 0.00 1.04 -1.26 -4.69 113.70 106.71 1k85 s SER 583 Ca 0.67 0.42 0.10 0.00 0.48 0.00 0.00 55.95 57.62 1k85 s SER 583 Cb -0.17 -0.53 -0.12 0.00 0.10 0.00 0.00 66.02 65.31 1k85 s SER 583 CO 0.58 -3.78 0.42 0.35 0.98 0.00 0.00 173.24 171.79 1k85 n THR 584 N -4.50 0.00 0.01 2.02 -2.24 -1.26 -4.71 114.28 103.61 1k85 n THR 584 Ca 0.15 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 1k85 n THR 584 Cb 0.60 0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 1k85 n THR 584 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1k85 h ASP 585 N 0.00 -0.08 -0.13 3.42 3.58 -1.94 -3.50 116.42 117.77 1k85 h ASP 585 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1k85 h ASP 585 Cb 0.27 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1k85 h ASP 585 CO 0.00 0.21 0.00 0.59 -2.88 0.00 0.00 179.24 177.16 1k85 n ASN 586 N -3.73 -2.90 -1.96 2.28 4.13 -1.26 -4.82 115.26 107.00 1k85 n ASN 586 Ca -0.01 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.11 1k85 n ASN 586 Cb 0.04 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1k85 n VAL 587 N -0.27 -0.35 0.00 2.41 0.31 -1.26 -4.01 118.33 115.16 1k85 n VAL 587 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k85 n VAL 587 Cb 0.00 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 -0.57 0.00 3.76 2.92 0.00 -1.26 -5.13 105.19 104.91 1k85 n GLY 588 Ca -0.15 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.11 2.74 -0.03 1.61 1.01 -1.26 -2.96 120.40 121.40 1k85 s VAL 589 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 1k85 s VAL 589 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1k85 s VAL 589 CO 0.00 0.16 -0.09 1.07 0.00 0.00 0.00 175.10 176.24 1k85 n THR 590 N 1.15 0.57 -3.48 3.92 5.66 -1.02 -4.92 114.28 116.16 1k85 n THR 590 Ca 0.01 0.28 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1k85 n THR 590 Cb 0.42 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.58 1k85 n THR 590 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k85 n GLY 591 N 2.24 4.89 2.96 1.09 0.00 -1.25 -4.63 105.19 110.50 1k85 n GLY 591 Ca -0.04 -1.64 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.21 0.56 -0.24 1.61 2.02 -0.14 -2.54 117.35 117.41 1k85 s TYR 592 Ca 0.00 -0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1k85 s TYR 592 Cb 0.00 -0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 41.16 1k85 s TYR 592 CO 0.00 -0.03 0.02 0.16 -1.57 0.00 0.00 175.55 174.13 1k85 s ASP 593 N -0.03 4.75 -0.12 2.29 -4.77 -0.79 -1.48 116.67 116.52 1k85 s ASP 593 Ca 0.01 -0.37 -0.09 0.00 -3.30 0.00 0.00 52.55 48.81 1k85 s ASP 593 Cb -0.04 -1.83 -0.04 0.00 -1.09 0.00 0.00 42.92 39.92 1k85 s ASP 593 CO -0.00 -0.05 0.17 0.54 0.70 0.00 0.00 175.17 176.53 1k85 s VAL 594 N 1.54 5.44 0.04 2.11 0.11 -1.12 -1.01 120.40 127.50 1k85 s VAL 594 Ca 0.06 0.28 0.01 0.00 -2.93 0.00 0.00 61.98 59.39 1k85 s VAL 594 Cb -0.15 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1k85 s VAL 594 CO 0.00 0.57 0.10 -0.31 -3.33 0.00 0.00 175.10 172.14 1k85 s TYR 595 N -0.72 3.29 -0.83 1.54 1.51 -0.39 -0.62 117.35 121.12 1k85 s TYR 595 Ca 0.15 0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 56.33 1k85 s TYR 595 Cb -0.12 -1.70 0.21 0.00 -0.11 0.00 0.00 41.96 40.24 1k85 s TYR 595 CO 0.04 0.55 0.71 0.54 -1.11 0.00 0.00 175.55 176.28 1k85 s ASN 596 N -2.09 5.98 0.00 2.29 2.20 0.13 -1.55 114.94 121.90 1k85 s ASN 596 Ca 0.27 -3.37 0.00 0.00 -0.94 0.00 0.00 52.86 48.82 1k85 s ASN 596 Cb -0.12 -1.95 0.00 0.00 -2.00 0.00 0.00 41.25 37.18 1k85 s ASN 596 CO 0.19 -0.28 0.00 0.61 -2.94 0.00 0.00 177.10 174.68 1k85 n GLY 597 N 2.85 2.25 0.12 0.45 0.00 -0.60 -3.42 105.19 106.83 1k85 n GLY 597 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.41 2.61 -2.24 -1.26 -5.02 114.28 103.96 1k85 n THR 598 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1k85 n THR 598 Cb 0.00 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 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 2.30 -0.04 6.98 0.00 -1.22 -5.14 121.76 124.64 1k85 s ALA 599 Ca 0.00 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1k85 s ALA 599 Cb 0.00 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 1k85 s ALA 599 CO 0.00 -0.42 0.55 -1.17 0.00 0.00 0.00 175.76 174.72 1k85 s LEU 600 N -3.46 4.38 0.00 0.00 2.96 -1.26 0.18 118.68 121.48 1k85 s LEU 600 Ca 0.32 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1k85 s LEU 600 Cb 0.05 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.90 1k85 s LEU 600 CO 0.16 0.09 0.00 0.00 -1.32 0.00 0.00 176.35 175.28 1k85 n ALA 601 N 2.94 0.00 -1.97 5.97 0.00 0.20 -4.72 120.51 122.93 1k85 n ALA 601 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1k85 n ALA 601 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 1.89 2.48 -0.07 0.00 -1.32 -1.24 -4.96 115.64 112.43 1k85 s THR 602 Ca 0.00 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1k85 s THR 602 Cb 0.00 -2.89 0.02 0.00 -1.51 0.00 0.00 72.50 68.12 1k85 s THR 602 CO 0.00 0.00 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.48 1k85 s THR 603 N -2.92 0.60 0.45 5.08 2.01 -1.26 -2.80 115.64 116.80 1k85 s THR 603 Ca 0.60 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1k85 s THR 603 Cb -0.09 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1k85 s THR 603 CO 0.41 0.27 0.02 0.68 -0.69 0.00 0.00 174.62 175.31 1k85 s VAL 604 N 1.40 1.37 0.00 3.82 -7.23 -0.55 -5.00 120.40 114.22 1k85 s VAL 604 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1k85 s VAL 604 Cb -0.13 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1k85 s VAL 604 CO -0.03 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.11 1k85 n THR 605 N -1.09 0.00 0.00 5.32 -2.24 -1.26 -0.97 114.28 114.04 1k85 n THR 605 Ca -0.12 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1k85 n THR 605 Cb 0.67 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.64 0.51 0.00 3.38 0.00 -1.26 -4.39 105.19 104.07 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 0.00 -2.23 2.61 -2.24 -1.26 -4.84 114.28 106.32 1k85 n THR 607 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1k85 n THR 607 Cb 0.00 -0.24 0.11 0.00 -2.10 0.00 0.00 70.33 68.09 1k85 n THR 607 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k85 n THR 608 N -0.87 0.00 -3.64 4.28 -2.24 -1.26 -3.81 114.28 106.75 1k85 n THR 608 Ca 0.00 -1.00 -0.09 0.00 -2.27 0.00 0.00 64.05 60.70 1k85 n THR 608 Cb 0.13 -1.23 -0.07 0.00 -2.10 0.00 0.00 70.33 67.05 1k85 n THR 608 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 609 N -3.37 -1.87 -0.26 6.98 0.00 -0.37 -4.78 121.76 118.08 1k85 s ALA 609 Ca 0.50 2.29 0.02 0.00 0.00 0.00 0.00 51.96 54.77 1k85 s ALA 609 Cb -0.02 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.78 1k85 s ALA 609 CO 0.34 -0.36 -0.09 0.99 0.00 0.00 0.00 175.76 176.63 1k85 s THR 610 N 1.24 2.32 -0.23 0.00 2.01 -1.25 -0.89 115.64 118.83 1k85 s THR 610 Ca -0.07 -1.57 -0.08 0.00 0.31 0.00 0.00 61.69 60.28 1k85 s THR 610 Cb -0.05 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1k85 s THR 610 CO -0.14 -0.02 0.10 -0.63 -0.69 0.00 0.00 174.62 173.24 1k85 s ILE 611 N 1.13 4.78 0.39 1.82 1.09 -0.77 -4.78 121.20 124.87 1k85 s ILE 611 Ca -0.08 -0.02 0.08 0.00 -1.10 0.00 0.00 60.65 59.53 1k85 s ILE 611 Cb -0.20 -3.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.96 1k85 s ILE 611 CO -0.05 0.37 0.28 -0.44 -0.10 0.00 0.00 174.94 175.00 1k85 s SER 612 N 1.10 4.90 -0.01 3.58 0.01 -1.26 -1.87 113.70 120.15 1k85 s SER 612 Ca 0.05 -0.77 -0.00 0.00 1.31 0.00 0.00 55.95 56.54 1k85 s SER 612 Cb -0.14 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.43 1k85 s SER 612 CO 0.04 -0.51 0.01 0.61 0.41 0.00 0.00 173.24 173.80 1k85 n GLY 613 N -1.38 0.54 3.60 3.44 0.00 -1.18 -4.98 105.19 105.23 1k85 n GLY 613 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.24 2.87 -0.06 0.99 1.43 -1.02 -5.08 118.68 115.56 1k85 s LEU 614 Ca 0.00 -1.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.00 1k85 s LEU 614 Cb -0.00 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1k85 s LEU 614 CO 0.00 -0.26 -0.14 0.00 0.23 0.00 0.00 176.35 176.18 1k85 s ALA 615 N -2.58 1.39 1.20 4.21 0.00 -1.26 -4.44 121.76 120.26 1k85 s ALA 615 Ca 0.34 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1k85 s ALA 615 Cb 0.02 -0.55 0.28 0.00 0.00 0.00 0.00 23.12 22.87 1k85 s ALA 615 CO 0.18 0.18 1.08 0.00 0.00 0.00 0.00 175.76 177.20 1k85 s ALA 616 N 0.42 0.45 -2.07 0.00 0.00 -1.25 -3.78 121.76 115.53 1k85 s ALA 616 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1k85 s ALA 616 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1k85 s ALA 616 CO 0.04 -3.60 0.00 -0.25 0.00 0.00 0.00 175.76 171.94 1k85 n ASP 617 N -4.78 -5.47 -3.98 0.00 8.00 -1.24 -4.95 116.55 104.12 1k85 n ASP 617 Ca 0.11 0.39 -0.09 0.00 0.71 0.00 0.00 54.79 55.91 1k85 n ASP 617 Cb 0.59 -4.78 -0.11 0.00 -0.02 0.00 0.00 41.12 36.81 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k85 s THR 618 N -2.79 0.12 0.13 -3.53 2.01 -1.25 -5.02 115.64 105.31 1k85 s THR 618 Ca 0.00 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 1k85 s THR 618 Cb 0.00 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 72.01 1k85 s THR 618 CO 0.00 -0.55 0.47 -0.44 -0.69 0.00 0.00 174.62 173.41 1k85 s SER 619 N -1.65 6.69 -0.02 3.53 0.01 -1.26 -2.54 113.70 118.46 1k85 s SER 619 Ca -0.13 0.90 -0.00 0.00 1.31 0.00 0.00 55.95 58.03 1k85 s SER 619 Cb -0.07 -2.22 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1k85 s SER 619 CO -0.02 0.10 0.03 -0.31 0.41 0.00 0.00 173.24 173.45 1k85 s TYR 620 N -1.50 0.08 -0.14 2.43 2.02 -0.80 -5.01 117.35 114.43 1k85 s TYR 620 Ca 0.37 0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 57.14 1k85 s TYR 620 Cb -0.14 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.09 1k85 s TYR 620 CO 0.19 -0.11 0.06 0.95 -1.57 0.00 0.00 175.55 175.07 1k85 s THR 621 N 1.19 4.77 0.23 -0.71 -4.23 -1.26 -2.03 115.64 113.60 1k85 s THR 621 Ca -0.08 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1k85 s THR 621 Cb -0.13 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 1k85 s THR 621 CO -0.03 0.54 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.17 1k85 s PHE 622 N -0.29 1.66 0.16 3.99 0.08 -0.92 -1.56 117.98 121.10 1k85 s PHE 622 Ca 0.08 -0.76 -0.09 0.00 0.12 0.00 0.00 56.93 56.28 1k85 s PHE 622 Cb -0.12 -0.91 -0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1k85 s PHE 622 CO 0.02 0.15 0.28 0.95 -0.10 0.00 0.00 175.22 176.52 1k85 s THR 623 N -3.19 0.07 0.01 0.64 -4.23 -0.60 -2.05 115.64 106.28 1k85 s THR 623 Ca 0.26 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1k85 s THR 623 Cb 0.03 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.07 1k85 s THR 623 CO 0.08 -0.32 -0.07 0.68 -0.54 0.00 0.00 174.62 174.45 1k85 s VAL 624 N -3.96 0.55 0.19 2.29 -7.23 -1.26 -1.26 120.40 109.71 1k85 s VAL 624 Ca 0.16 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.89 1k85 s VAL 624 Cb 0.03 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 1k85 s VAL 624 CO -0.01 0.02 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.21 1k85 s LYS 625 N -0.51 1.21 -0.12 4.82 1.02 -0.18 -1.12 119.74 124.87 1k85 s LYS 625 Ca -0.00 -1.57 -0.00 0.00 0.02 0.00 0.00 55.97 54.42 1k85 s LYS 625 Cb -0.04 -0.63 -0.02 0.00 -0.52 0.00 0.00 37.83 36.62 1k85 s LYS 625 CO -0.00 -0.01 -0.11 0.00 -0.92 0.00 0.00 175.35 174.31 1k85 s ALA 626 N -3.37 2.72 0.17 5.17 0.00 -1.26 -1.88 121.76 123.31 1k85 s ALA 626 Ca 0.23 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1k85 s ALA 626 Cb 0.04 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1k85 s ALA 626 CO 0.05 0.32 -0.20 -1.59 0.00 0.00 0.00 175.76 174.34 1k85 s LYS 627 N 0.08 1.33 0.54 0.00 -2.85 -1.05 -1.52 119.74 116.26 1k85 s LYS 627 Ca -0.04 -1.42 0.02 0.00 -1.00 0.00 0.00 55.97 53.53 1k85 s LYS 627 Cb -0.14 -1.48 0.02 0.00 -2.06 0.00 0.00 37.83 34.17 1k85 s LYS 627 CO 0.04 0.31 0.19 -0.25 0.10 0.00 0.00 175.35 175.74 1k85 n ASP 628 N 0.34 3.16 -0.13 0.03 9.92 -0.43 -2.43 116.55 127.02 1k85 n ASP 628 Ca -0.13 -3.14 0.15 0.00 -0.53 0.00 0.00 54.79 51.14 1k85 n ASP 628 Cb 0.56 0.18 0.68 0.00 -0.64 0.00 0.00 41.12 41.91 1k85 n ASP 628 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k85 n ALA 629 N -1.56 2.70 0.99 2.24 0.00 -1.15 -3.21 120.51 120.52 1k85 n ALA 629 Ca -0.20 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.10 1k85 n ALA 629 Cb 0.65 -1.36 0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.86 2.48 -1.78 0.00 0.00 -1.26 -4.96 120.51 114.13 1k85 n ALA 630 Ca 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1k85 n ALA 630 Cb 0.25 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1k85 n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k85 n GLY 631 N 1.34 0.85 3.34 0.00 0.00 -1.20 -5.07 105.19 104.45 1k85 n GLY 631 Ca 0.14 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.79 3.66 0.09 1.61 0.01 -1.26 -4.95 114.94 111.31 1k85 s ASN 632 Ca 0.00 -0.38 0.10 0.00 -0.71 0.00 0.00 52.86 51.87 1k85 s ASN 632 Cb 0.00 -1.28 -0.03 0.00 0.41 0.00 0.00 41.25 40.35 1k85 s ASN 632 CO 0.00 0.21 -0.26 0.54 -1.51 0.00 0.00 177.10 176.08 1k85 s VAL 633 N 0.04 2.18 0.00 1.60 0.11 -1.26 -1.31 120.40 121.76 1k85 s VAL 633 Ca -0.07 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.41 1k85 s VAL 633 Cb -0.15 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 1k85 s VAL 633 CO 0.05 0.22 0.00 -0.24 -3.33 0.00 0.00 175.10 171.80 1k85 n SER 634 N 1.35 0.00 -4.77 3.54 2.88 -0.58 -4.63 113.62 111.41 1k85 n SER 634 Ca -0.17 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.13 1k85 n SER 634 Cb 0.52 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.07 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 -3.37 3.57 -0.09 -1.46 0.00 -1.26 -4.81 121.76 114.33 1k85 s ALA 635 Ca 0.00 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.33 1k85 s ALA 635 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1k85 s ALA 635 CO 0.00 -1.29 0.55 0.00 0.00 0.00 0.00 175.76 175.02 1k85 s ALA 636 N -3.10 3.44 1.26 0.00 0.00 -1.26 -4.47 121.76 117.63 1k85 s ALA 636 Ca 0.63 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1k85 s ALA 636 Cb -0.08 -2.74 0.28 0.00 0.00 0.00 0.00 23.12 20.59 1k85 s ALA 636 CO 0.43 0.00 0.93 0.45 0.00 0.00 0.00 175.76 177.58 1k85 n SER 637 N 3.56 -2.34 -4.74 0.00 2.88 -0.27 -4.95 113.62 107.76 1k85 n SER 637 Ca -0.06 -1.04 -0.36 0.00 -1.33 0.00 0.00 58.87 56.08 1k85 n SER 637 Cb 0.51 -0.89 0.06 0.00 -0.75 0.00 0.00 64.21 63.15 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 -3.91 4.70 -0.18 -3.46 0.02 -1.26 -4.62 114.94 106.23 1k85 s ASN 638 Ca 0.62 2.54 -0.20 0.00 -1.02 0.00 0.00 52.86 54.80 1k85 s ASN 638 Cb -0.07 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.56 1k85 s ASN 638 CO 0.49 -1.93 0.58 0.00 0.02 0.00 0.00 177.10 176.25 1k85 s ALA 639 N -1.51 3.52 0.08 0.60 0.00 -1.26 -4.62 121.76 118.57 1k85 s ALA 639 Ca 0.80 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1k85 s ALA 639 Cb -0.35 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1k85 s ALA 639 CO 0.39 -0.41 0.16 0.54 0.00 0.00 0.00 175.76 176.44 1k85 s VAL 640 N 1.56 5.01 -0.16 0.00 0.11 -0.87 -4.93 120.40 121.13 1k85 s VAL 640 Ca 0.28 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1k85 s VAL 640 Cb -0.16 -3.45 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1k85 s VAL 640 CO 0.11 0.10 -0.13 -0.55 -3.33 0.00 0.00 175.10 171.31 1k85 s SER 641 N -2.55 3.89 -0.04 3.54 0.15 -1.26 -2.16 113.70 115.26 1k85 s SER 641 Ca 0.33 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.61 1k85 s SER 641 Cb -0.12 -1.61 -0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1k85 s SER 641 CO 0.25 0.09 -0.15 0.54 1.20 0.00 0.00 173.24 175.18 1k85 s VAL 642 N 0.77 1.28 -0.35 4.45 0.11 -0.86 -5.01 120.40 120.79 1k85 s VAL 642 Ca -0.05 -0.63 -0.10 0.00 -2.93 0.00 0.00 61.98 58.27 1k85 s VAL 642 Cb -0.15 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1k85 s VAL 642 CO 0.01 0.38 0.18 -0.75 -3.33 0.00 0.00 175.10 171.58 1k85 s LYS 643 N 0.12 2.95 0.00 1.54 2.20 -1.26 -1.91 119.74 123.38 1k85 s LYS 643 Ca -0.05 -0.98 0.30 0.00 -0.36 0.00 0.00 55.97 54.88 1k85 s LYS 643 Cb -0.11 -3.64 1.41 0.00 -1.51 0.00 0.00 37.83 33.98 1k85 s LYS 643 CO 0.02 -0.61 1.95 0.25 -0.36 0.00 0.00 175.35 176.60