#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 -2.20 1.57 0.00 -1.26 -5.12 117.12 110.11 1k85 n MET 558 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.30 1k85 n MET 558 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 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 -1.63 3.36 0.94 3.04 0.00 -1.26 -4.92 121.76 121.28 1k85 s ALA 559 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1k85 s ALA 559 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1k85 s ALA 559 CO 0.00 -0.57 0.00 -0.35 0.00 0.00 0.00 175.76 174.84 1k85 n PRO 560 N 0.57 1.61 -4.15 0.00 -0.04 -1.26 -5.01 135.00 126.71 1k85 n PRO 560 Ca 0.01 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.18 1k85 n PRO 560 Cb 0.44 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.14 3.85 -0.08 0.52 -4.23 -1.26 -4.63 115.64 109.96 1k85 s THR 561 Ca 0.00 -1.08 -0.26 0.00 -1.18 0.00 0.00 61.69 59.17 1k85 s THR 561 Cb 0.00 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 1k85 s THR 561 CO 0.00 0.10 0.83 0.00 -0.54 0.00 0.00 174.62 175.01 1k85 s ALA 562 N -1.32 3.34 0.68 3.99 0.00 -1.26 -4.48 121.76 122.71 1k85 s ALA 562 Ca 0.25 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 1k85 s ALA 562 Cb -0.11 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1k85 s ALA 562 CO 0.17 -0.31 0.31 -2.30 0.00 0.00 0.00 175.76 173.63 1k85 n PRO 563 N 4.27 0.26 -3.96 0.00 -0.02 -1.26 -4.89 135.00 129.39 1k85 n PRO 563 Ca 0.03 0.12 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 1k85 n PRO 563 Cb 0.50 -1.60 -0.08 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.90 0.17 -1.28 3.45 -1.32 -1.24 -4.17 115.64 109.35 1k85 s THR 564 Ca 0.62 -1.45 -0.04 0.00 -1.21 0.00 0.00 61.69 59.61 1k85 s THR 564 Cb -0.37 -1.43 0.01 0.00 -1.51 0.00 0.00 72.50 69.19 1k85 s THR 564 CO 0.61 -0.78 1.07 0.59 -2.21 0.00 0.00 174.62 173.90 1k85 n ASN 565 N 0.00 -4.00 -4.75 8.08 4.13 -1.26 -2.65 115.26 114.81 1k85 n ASN 565 Ca -0.14 -0.60 -0.32 0.00 1.68 0.00 0.00 54.58 55.20 1k85 n ASN 565 Cb 0.62 -5.02 0.09 0.00 -1.54 0.00 0.00 39.78 33.92 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1k85 s LEU 566 N -6.82 3.13 0.00 3.41 2.96 -1.26 -4.42 118.68 115.68 1k85 s LEU 566 Ca 0.28 1.96 -0.11 0.00 -0.22 0.00 0.00 54.13 56.03 1k85 s LEU 566 Cb -0.12 -4.54 0.04 0.00 0.50 0.00 0.00 46.19 42.07 1k85 s LEU 566 CO 0.74 -2.07 0.58 0.00 -1.32 0.00 0.00 176.35 174.27 1k85 n ALA 567 N -3.23 -1.37 -2.43 5.97 0.00 -0.42 -4.99 120.51 114.04 1k85 n ALA 567 Ca 0.10 -0.82 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 1k85 n ALA 567 Cb 0.52 0.62 -0.11 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.47 2.98 0.00 0.00 1.04 -1.26 -2.39 113.70 111.59 1k85 s SER 568 Ca 0.12 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1k85 s SER 568 Cb -0.03 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1k85 s SER 568 CO 0.07 -0.01 0.00 0.35 0.98 0.00 0.00 173.24 174.63 1k85 n THR 569 N 0.02 0.00 -2.87 2.02 -2.24 -0.13 -4.83 114.28 106.25 1k85 n THR 569 Ca -0.11 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1k85 n THR 569 Cb 0.58 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.00 3.14 -0.39 6.98 0.00 -1.25 -4.91 121.76 123.33 1k85 s ALA 570 Ca 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 51.96 50.24 1k85 s ALA 570 Cb 0.00 -3.81 0.11 0.00 0.00 0.00 0.00 23.12 19.42 1k85 s ALA 570 CO 0.00 -2.66 0.15 -0.65 0.00 0.00 0.00 175.76 172.60 1k85 s GLN 571 N 3.97 1.81 0.00 0.00 1.11 -1.26 -0.43 119.66 124.85 1k85 s GLN 571 Ca 0.23 -1.86 0.00 0.00 0.01 0.00 0.00 55.36 53.74 1k85 s GLN 571 Cb -0.16 -3.44 0.00 0.00 -1.01 0.00 0.00 33.01 28.40 1k85 s GLN 571 CO 0.12 -1.02 0.00 0.25 0.01 0.00 0.00 175.29 174.65 1k85 n THR 572 N 4.43 0.00 -0.60 -0.19 -2.24 -0.14 -4.99 114.28 110.55 1k85 n THR 572 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 1k85 n THR 572 Cb 0.41 -0.64 0.35 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.31 0.00 4.28 -2.24 -1.26 -4.59 114.28 112.78 1k85 n THR 573 Ca 0.00 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1k85 n THR 573 Cb 0.00 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.57 0.00 -4.80 3.42 3.41 -1.26 -4.50 113.62 110.46 1k85 n SER 574 Ca 0.24 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.49 1k85 n SER 574 Cb 1.04 0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 65.14 1k85 n SER 574 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k85 s SER 575 N -1.62 6.06 0.00 4.04 1.04 -1.26 -3.04 113.70 118.92 1k85 s SER 575 Ca 0.00 0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.80 1k85 s SER 575 Cb 0.00 -1.94 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 1k85 s SER 575 CO 0.00 0.35 -0.09 -0.51 0.98 0.00 0.00 173.24 173.97 1k85 s ILE 576 N -0.71 0.73 -0.09 -1.02 2.07 -0.81 -0.97 121.20 120.41 1k85 s ILE 576 Ca 0.13 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 58.92 1k85 s ILE 576 Cb -0.12 -0.63 -0.00 0.00 0.13 0.00 0.00 42.46 41.84 1k85 s ILE 576 CO 0.03 0.14 -0.23 -0.89 -1.91 0.00 0.00 174.94 172.07 1k85 s THR 577 N -0.35 2.15 -0.06 4.00 2.01 0.42 -1.68 115.64 122.14 1k85 s THR 577 Ca 0.02 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.08 1k85 s THR 577 Cb -0.04 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1k85 s THR 577 CO -0.00 0.56 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.50 1k85 s LEU 578 N 0.16 2.02 -0.02 4.42 1.43 -0.81 -0.96 118.68 124.92 1k85 s LEU 578 Ca -0.13 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1k85 s LEU 578 Cb -0.16 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1k85 s LEU 578 CO 0.07 0.21 -0.24 -0.55 0.23 0.00 0.00 176.35 176.07 1k85 s SER 579 N -0.07 3.27 0.25 2.29 0.15 -1.01 -1.39 113.70 117.20 1k85 s SER 579 Ca -0.05 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.04 1k85 s SER 579 Cb -0.13 -0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1k85 s SER 579 CO 0.04 0.32 0.50 -1.66 1.20 0.00 0.00 173.24 173.63 1k85 s TRP 580 N -0.66 0.29 -0.35 3.44 -2.14 -0.82 -1.29 118.94 117.41 1k85 s TRP 580 Ca 0.11 -0.66 -0.25 0.00 2.66 0.00 0.00 56.10 57.95 1k85 s TRP 580 Cb -0.10 0.24 0.01 0.00 -3.10 0.00 0.00 33.47 30.52 1k85 s TRP 580 CO -0.00 -1.01 0.89 0.99 -2.66 0.00 0.00 176.95 175.16 1k85 s THR 581 N -4.00 4.65 0.71 0.66 2.01 -1.08 -4.76 115.64 113.82 1k85 s THR 581 Ca 0.21 1.21 -0.16 0.00 0.31 0.00 0.00 61.69 63.25 1k85 s THR 581 Cb -0.01 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1k85 s THR 581 CO 0.08 -0.45 0.52 0.00 -0.69 0.00 0.00 174.62 174.09 1k85 n ALA 582 N 6.60 -1.49 -1.60 7.40 0.00 -1.26 -3.70 120.51 126.46 1k85 n ALA 582 Ca 0.06 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1k85 n ALA 582 Cb 0.48 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1k85 n ALA 582 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k85 n SER 583 N -0.19 1.31 0.18 0.00 7.64 -1.26 -4.81 113.62 116.49 1k85 n SER 583 Ca 0.10 1.09 0.12 0.00 1.01 0.00 0.00 58.87 61.19 1k85 n SER 583 Cb 0.50 -1.34 0.65 0.00 -1.01 0.00 0.00 64.21 63.01 1k85 n SER 583 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k85 h THR 584 N 1.73 0.00 -3.01 0.44 1.35 -1.88 -3.42 112.91 108.11 1k85 h THR 584 Ca -0.43 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.81 1k85 h THR 584 Cb 1.34 0.53 -0.13 0.00 -1.73 0.00 0.00 68.15 68.16 1k85 h THR 584 CO 0.58 0.00 -0.69 -1.81 -0.25 0.00 0.00 175.52 173.35 1k85 s ASP 585 N -4.14 4.53 0.00 5.36 1.01 -1.26 -5.06 116.67 117.11 1k85 s ASP 585 Ca -0.03 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.77 1k85 s ASP 585 Cb 0.07 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 43.12 1k85 s ASP 585 CO 0.22 0.11 0.00 -0.46 0.21 0.00 0.00 175.17 175.24 1k85 n ASN 586 N 0.05 0.00 0.00 0.27 2.04 -1.26 -4.80 115.26 111.56 1k85 n ASN 586 Ca -0.11 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.03 1k85 n ASN 586 Cb 0.55 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.80 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1k85 n VAL 587 N 0.00 0.00 0.00 3.53 0.31 -1.26 -4.26 118.33 116.65 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -1.22 0.00 3.77 2.92 0.00 -1.26 -5.05 105.19 104.34 1k85 n GLY 588 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1k85 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k85 s VAL 589 N -1.54 3.08 -0.04 1.61 1.01 -1.26 -3.10 120.40 120.15 1k85 s VAL 589 Ca 0.00 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 1k85 s VAL 589 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1k85 s VAL 589 CO 0.00 0.18 -0.09 1.07 0.00 0.00 0.00 175.10 176.26 1k85 n THR 590 N 0.56 0.43 -4.00 3.92 5.66 -1.06 -4.83 114.28 114.96 1k85 n THR 590 Ca 0.02 0.36 -0.11 0.00 -3.05 0.00 0.00 64.05 61.27 1k85 n THR 590 Cb 0.44 -1.68 -0.03 0.00 -1.55 0.00 0.00 70.33 67.51 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 1.73 2.77 3.15 1.09 0.00 -1.24 -4.75 105.19 107.95 1k85 n GLY 591 Ca -0.04 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.35 2.39 -0.29 1.61 1.51 0.30 -2.46 117.35 117.06 1k85 s TYR 592 Ca 0.22 -1.09 -0.11 0.00 -1.01 0.00 0.00 57.07 55.09 1k85 s TYR 592 Cb 0.00 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1k85 s TYR 592 CO 0.16 -0.49 0.18 -0.51 -1.11 0.00 0.00 175.55 173.77 1k85 s ASP 593 N 0.66 5.81 -0.15 2.29 1.11 0.11 -1.55 116.67 124.95 1k85 s ASP 593 Ca -0.12 -0.21 -0.09 0.00 0.18 0.00 0.00 52.55 52.31 1k85 s ASP 593 Cb -0.16 -2.07 -0.05 0.00 1.07 0.00 0.00 42.92 41.71 1k85 s ASP 593 CO 0.03 -0.11 0.15 0.54 1.18 0.00 0.00 175.17 176.95 1k85 s VAL 594 N 1.71 5.45 0.09 -1.27 0.11 -1.12 -1.10 120.40 124.26 1k85 s VAL 594 Ca 0.06 0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1k85 s VAL 594 Cb -0.16 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1k85 s VAL 594 CO 0.09 0.53 0.16 -0.31 -3.33 0.00 0.00 175.10 172.24 1k85 s TYR 595 N -0.36 3.36 -0.41 1.54 2.02 0.86 -0.89 117.35 123.46 1k85 s TYR 595 Ca 0.12 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1k85 s TYR 595 Cb -0.12 -1.67 0.12 0.00 -0.40 0.00 0.00 41.96 39.89 1k85 s TYR 595 CO 0.02 0.55 0.19 1.21 -1.57 0.00 0.00 175.55 175.94 1k85 s ASN 596 N -2.61 3.95 -0.68 2.29 2.47 0.57 -2.13 114.94 118.80 1k85 s ASN 596 Ca 0.32 -2.42 -0.08 0.00 0.42 0.00 0.00 52.86 51.10 1k85 s ASN 596 Cb -0.12 -1.15 0.01 0.00 -1.45 0.00 0.00 41.25 38.54 1k85 s ASN 596 CO 0.25 -0.31 0.65 0.61 -3.72 0.00 0.00 177.10 174.59 1k85 n GLY 597 N 3.84 -1.08 3.65 1.21 0.00 -1.01 -2.08 105.19 109.72 1k85 n GLY 597 Ca 0.05 0.74 -0.28 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.61 -1.25 -3.18 2.61 -2.24 -1.26 -4.90 114.28 102.44 1k85 n THR 598 Ca -0.10 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1k85 n THR 598 Cb 0.59 -2.07 -0.01 0.00 -2.10 0.00 0.00 70.33 66.74 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 -3.09 -2.37 0.05 6.98 0.00 -0.88 -5.13 121.76 117.31 1k85 s ALA 599 Ca 0.53 0.60 -0.38 0.00 0.00 0.00 0.00 51.96 52.71 1k85 s ALA 599 Cb -0.28 -2.64 -0.18 0.00 0.00 0.00 0.00 23.12 20.02 1k85 s ALA 599 CO 0.65 -2.04 1.23 -0.11 0.00 0.00 0.00 175.76 175.50 1k85 n LEU 600 N 4.88 0.99 0.00 0.00 0.00 -1.26 -0.31 117.00 121.30 1k85 n LEU 600 Ca 0.08 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.23 1k85 n LEU 600 Cb 0.56 -1.08 0.00 0.00 0.00 0.00 0.00 43.42 42.89 1k85 n LEU 600 CO -0.02 -1.39 0.00 0.00 0.00 0.00 0.00 177.39 175.98 1k85 n ALA 601 N 2.12 0.00 -1.97 1.96 0.00 -0.07 -4.71 120.51 117.85 1k85 n ALA 601 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1k85 n ALA 601 Cb 0.15 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.67 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 1.15 2.40 -0.23 0.00 -1.32 -1.26 -4.97 115.64 111.41 1k85 s THR 602 Ca 0.00 -0.53 -0.04 0.00 -1.21 0.00 0.00 61.69 59.91 1k85 s THR 602 Cb 0.00 -2.87 0.08 0.00 -1.51 0.00 0.00 72.50 68.20 1k85 s THR 602 CO 0.00 0.00 0.10 -0.89 -2.21 0.00 0.00 174.62 171.62 1k85 s THR 603 N -3.02 0.11 0.00 5.08 2.01 -1.26 -2.81 115.64 115.75 1k85 s THR 603 Ca 0.61 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1k85 s THR 603 Cb -0.09 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1k85 s THR 603 CO 0.42 -0.48 0.00 1.33 -0.69 0.00 0.00 174.62 175.20 1k85 n VAL 604 N 5.19 0.00 -1.09 3.82 0.24 -0.59 -4.95 118.33 120.95 1k85 n VAL 604 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1k85 n VAL 604 Cb 0.45 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 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 -0.49 0.00 -0.54 3.34 -2.24 -1.26 -0.54 114.28 112.55 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 0.00 1.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 4.49 0.98 3.38 0.00 -1.26 -4.66 105.19 108.12 1k85 n GLY 606 Ca 0.00 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 0.69 -4.78 2.61 -2.24 -1.26 -4.77 114.28 104.53 1k85 n THR 607 Ca 0.00 -0.85 -0.25 0.00 -2.27 0.00 0.00 64.05 60.69 1k85 n THR 607 Cb 0.00 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.17 1.44 -0.15 4.28 -4.23 -1.25 -1.94 115.64 112.61 1k85 s THR 608 Ca 0.34 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1k85 s THR 608 Cb 0.19 -1.21 0.03 0.00 1.34 0.00 0.00 72.50 72.85 1k85 s THR 608 CO 0.26 0.33 -0.09 0.00 -0.54 0.00 0.00 174.62 174.58 1k85 s ALA 609 N -0.53 1.63 -0.27 3.99 0.00 -0.48 -4.69 121.76 121.40 1k85 s ALA 609 Ca 0.07 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 1k85 s ALA 609 Cb -0.07 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 1k85 s ALA 609 CO -0.00 -0.57 0.12 0.99 0.00 0.00 0.00 175.76 176.30 1k85 s THR 610 N 1.58 4.63 -0.14 0.00 2.01 -1.26 -1.93 115.64 120.52 1k85 s THR 610 Ca 0.03 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1k85 s THR 610 Cb -0.14 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 1k85 s THR 610 CO -0.09 0.25 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.38 1k85 s ILE 611 N 1.65 3.42 0.00 1.82 1.09 -0.68 -4.75 121.20 123.77 1k85 s ILE 611 Ca 0.06 -0.53 0.07 0.00 -1.10 0.00 0.00 60.65 59.15 1k85 s ILE 611 Cb -0.16 -2.47 -0.03 0.00 -1.06 0.00 0.00 42.46 38.75 1k85 s ILE 611 CO 0.06 0.51 -0.21 -0.94 -0.10 0.00 0.00 174.94 174.26 1k85 s SER 612 N 0.37 3.55 0.00 3.58 1.04 -1.26 -1.92 113.70 119.07 1k85 s SER 612 Ca -0.08 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1k85 s SER 612 Cb -0.15 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1k85 s SER 612 CO 0.04 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1k85 n GLY 613 N 1.99 0.82 3.25 7.32 0.00 -1.17 -5.03 105.19 112.37 1k85 n GLY 613 Ca -0.16 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.32 2.50 -0.08 0.99 1.43 -1.22 -5.09 118.68 116.89 1k85 s LEU 614 Ca 0.00 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 1k85 s LEU 614 Cb 0.00 -0.41 -0.03 0.00 0.03 0.00 0.00 46.19 45.78 1k85 s LEU 614 CO 0.00 -0.27 -0.07 0.00 0.23 0.00 0.00 176.35 176.24 1k85 s ALA 615 N -2.97 2.95 1.05 4.21 0.00 -1.26 -4.43 121.76 121.31 1k85 s ALA 615 Ca 0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 1k85 s ALA 615 Cb 0.00 -1.24 0.21 0.00 0.00 0.00 0.00 23.12 22.09 1k85 s ALA 615 CO 0.02 0.53 1.11 0.00 0.00 0.00 0.00 175.76 177.41 1k85 s ALA 616 N -0.66 0.97 -1.46 0.00 0.00 -1.26 -3.94 121.76 115.40 1k85 s ALA 616 Ca 0.10 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1k85 s ALA 616 Cb -0.11 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1k85 s ALA 616 CO 0.02 -2.99 0.53 -3.47 0.00 0.00 0.00 175.76 169.84 1k85 n ASP 617 N -4.29 -5.30 -3.89 0.00 2.03 -1.25 -4.97 116.55 98.88 1k85 n ASP 617 Ca 0.08 -0.29 -0.12 0.00 0.52 0.00 0.00 54.79 54.98 1k85 n ASP 617 Cb 0.58 -4.32 -0.13 0.00 -0.72 0.00 0.00 41.12 36.53 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1k85 s THR 618 N -3.08 0.02 -0.08 5.18 2.01 -1.25 -5.00 115.64 113.44 1k85 s THR 618 Ca 0.31 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.94 1k85 s THR 618 Cb -0.15 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1k85 s THR 618 CO 0.39 -0.08 0.64 -0.94 -0.69 0.00 0.00 174.62 173.93 1k85 s SER 619 N -0.24 6.91 0.01 3.53 1.04 -1.26 -2.61 113.70 121.08 1k85 s SER 619 Ca -0.03 1.10 0.04 0.00 0.48 0.00 0.00 55.95 57.54 1k85 s SER 619 Cb -0.02 -2.38 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 1k85 s SER 619 CO -0.00 -0.08 -0.12 -0.31 0.98 0.00 0.00 173.24 173.70 1k85 s TYR 620 N 0.74 1.10 -0.07 5.02 2.02 -0.66 -5.02 117.35 120.47 1k85 s TYR 620 Ca 0.35 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.84 1k85 s TYR 620 Cb -0.17 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 1k85 s TYR 620 CO 0.16 -0.00 -0.24 0.99 -1.57 0.00 0.00 175.55 174.89 1k85 s THR 621 N -0.49 2.02 0.21 -0.71 2.01 -1.26 -1.06 115.64 116.36 1k85 s THR 621 Ca 0.03 -1.03 0.11 0.00 0.31 0.00 0.00 61.69 61.11 1k85 s THR 621 Cb -0.06 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1k85 s THR 621 CO 0.00 0.56 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.92 1k85 s PHE 622 N 0.04 2.12 -0.18 4.92 0.08 -1.00 -2.40 117.98 121.56 1k85 s PHE 622 Ca -0.09 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.45 1k85 s PHE 622 Cb -0.15 -1.00 0.06 0.00 -0.57 0.00 0.00 43.02 41.35 1k85 s PHE 622 CO 0.05 0.51 0.44 0.95 -0.10 0.00 0.00 175.22 177.08 1k85 s THR 623 N -2.15 -0.02 0.14 0.64 -4.23 -0.90 -2.26 115.64 106.86 1k85 s THR 623 Ca 0.22 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1k85 s THR 623 Cb -0.06 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1k85 s THR 623 CO 0.10 0.03 0.30 -0.69 -0.54 0.00 0.00 174.62 173.82 1k85 s VAL 624 N 1.24 5.30 0.00 2.29 1.01 -1.26 -0.10 120.40 128.88 1k85 s VAL 624 Ca -0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1k85 s VAL 624 Cb -0.07 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1k85 s VAL 624 CO -0.11 -0.06 0.01 -0.54 0.00 0.00 0.00 175.10 174.40 1k85 s LYS 625 N -3.06 0.13 -0.30 2.72 1.02 -0.26 -0.96 119.74 119.02 1k85 s LYS 625 Ca 0.36 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 56.07 1k85 s LYS 625 Cb -0.12 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1k85 s LYS 625 CO 0.28 -0.02 0.15 0.00 -0.92 0.00 0.00 175.35 174.85 1k85 s ALA 626 N -0.49 3.31 0.08 5.17 0.00 -1.26 -0.72 121.76 127.85 1k85 s ALA 626 Ca -0.05 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.62 1k85 s ALA 626 Cb -0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1k85 s ALA 626 CO -0.00 -0.83 0.00 -1.59 0.00 0.00 0.00 175.76 173.35 1k85 s LYS 627 N 1.64 2.59 0.25 0.00 -2.85 -1.03 -1.03 119.74 119.30 1k85 s LYS 627 Ca 0.05 -0.81 0.06 0.00 -1.00 0.00 0.00 55.97 54.27 1k85 s LYS 627 Cb -0.17 -2.56 -0.03 0.00 -2.06 0.00 0.00 37.83 33.01 1k85 s LYS 627 CO 0.07 0.55 0.27 0.16 0.10 0.00 0.00 175.35 176.49 1k85 s ASP 628 N -2.25 5.84 -0.12 0.03 1.47 0.24 -2.58 116.67 119.30 1k85 s ASP 628 Ca 0.25 -0.13 -0.06 0.00 1.18 0.00 0.00 52.55 53.80 1k85 s ASP 628 Cb -0.12 -1.57 -0.22 0.00 -0.34 0.00 0.00 42.92 40.68 1k85 s ASP 628 CO 0.18 -0.07 3.49 0.00 0.68 0.00 0.00 175.17 179.45 1k85 n ALA 629 N -1.28 6.43 0.00 2.11 0.00 -1.18 -3.33 120.51 123.26 1k85 n ALA 629 Ca -0.08 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1k85 n ALA 629 Cb 0.58 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 2.33 0.31 0.00 0.00 0.00 -1.26 -5.05 120.51 116.84 1k85 n ALA 630 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1k85 n ALA 630 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.60 0.40 2.74 0.00 0.00 -1.21 -5.15 105.19 101.37 1k85 n GLY 631 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1k85 n GLY 631 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k85 s ASN 632 N -0.78 1.94 0.06 1.61 3.84 -1.26 -4.99 114.94 115.35 1k85 s ASN 632 Ca 0.00 -0.30 0.08 0.00 0.21 0.00 0.00 52.86 52.85 1k85 s ASN 632 Cb 0.00 -0.43 -0.03 0.00 -0.55 0.00 0.00 41.25 40.24 1k85 s ASN 632 CO 0.00 -0.24 -0.19 0.54 -2.79 0.00 0.00 177.10 174.42 1k85 s VAL 633 N 1.98 2.76 0.00 -5.21 0.11 -1.26 -0.59 120.40 118.19 1k85 s VAL 633 Ca 0.03 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1k85 s VAL 633 Cb -0.14 -2.18 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1k85 s VAL 633 CO -0.06 0.29 0.00 -0.24 -3.33 0.00 0.00 175.10 171.76 1k85 n SER 634 N 1.41 0.00 -3.72 3.54 2.88 -0.20 -4.84 113.62 112.69 1k85 n SER 634 Ca -0.16 -0.70 -0.28 0.00 -1.33 0.00 0.00 58.87 56.40 1k85 n SER 634 Cb 0.52 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.19 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k85 n ALA 635 N -3.00 -1.96 -2.35 -1.46 0.00 -1.26 -4.70 120.51 105.77 1k85 n ALA 635 Ca 0.00 -1.62 -0.35 0.00 0.00 0.00 0.00 53.44 51.47 1k85 n ALA 635 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 1k85 n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k85 s ALA 636 N -3.70 3.58 1.05 0.00 0.00 -1.26 -4.44 121.76 116.98 1k85 s ALA 636 Ca 0.70 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 1k85 s ALA 636 Cb -0.03 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.69 1k85 s ALA 636 CO 0.51 0.45 0.61 -1.13 0.00 0.00 0.00 175.76 176.20 1k85 n SER 637 N 0.83 -0.65 -4.75 0.00 3.41 -0.13 -4.88 113.62 107.45 1k85 n SER 637 Ca -0.05 -1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 57.13 1k85 n SER 637 Cb 0.52 -0.51 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1k85 s ASN 638 N -3.23 5.14 -0.08 4.04 3.84 -1.26 -4.71 114.94 118.67 1k85 s ASN 638 Ca 0.37 2.40 -0.26 0.00 0.21 0.00 0.00 52.86 55.58 1k85 s ASN 638 Cb -0.02 -2.60 -0.03 0.00 -0.55 0.00 0.00 41.25 38.05 1k85 s ASN 638 CO 0.27 -1.63 0.82 0.00 -2.79 0.00 0.00 177.10 173.77 1k85 s ALA 639 N -1.59 3.34 -0.37 1.71 0.00 -1.26 -4.60 121.76 118.99 1k85 s ALA 639 Ca 0.78 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 1k85 s ALA 639 Cb -0.31 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 19.74 1k85 s ALA 639 CO 0.34 -0.30 0.14 0.14 0.00 0.00 0.00 175.76 176.08 1k85 s VAL 640 N 1.25 3.46 -0.89 0.00 -7.23 -0.96 -4.97 120.40 111.07 1k85 s VAL 640 Ca 0.42 -1.59 -0.19 0.00 -1.81 0.00 0.00 61.98 58.81 1k85 s VAL 640 Cb -0.18 -3.15 0.12 0.00 0.56 0.00 0.00 36.38 33.73 1k85 s VAL 640 CO 0.19 -0.41 1.11 -0.44 -0.31 0.00 0.00 175.10 175.24 1k85 s SER 641 N 1.65 6.56 0.46 4.85 0.01 -1.26 -2.37 113.70 123.59 1k85 s SER 641 Ca 0.02 -1.89 0.08 0.00 1.31 0.00 0.00 55.95 55.47 1k85 s SER 641 Cb -0.21 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.64 1k85 s SER 641 CO -0.01 -1.12 0.62 0.68 0.41 0.00 0.00 173.24 173.82 1k85 s VAL 642 N 2.91 2.82 -0.07 3.43 -7.23 -0.22 -4.96 120.40 117.09 1k85 s VAL 642 Ca 0.31 -0.98 -0.03 0.00 -1.81 0.00 0.00 61.98 59.47 1k85 s VAL 642 Cb -0.07 -2.84 0.04 0.00 0.56 0.00 0.00 36.38 34.07 1k85 s VAL 642 CO -0.07 0.00 0.15 -0.54 -0.31 0.00 0.00 175.10 174.33 1k85 s LYS 643 N -4.43 0.08 0.00 4.82 1.02 -1.26 -1.66 119.74 118.31 1k85 s LYS 643 Ca 0.56 0.40 0.30 0.00 0.02 0.00 0.00 55.97 57.25 1k85 s LYS 643 Cb -0.09 -0.19 1.41 0.00 -0.52 0.00 0.00 37.83 38.44 1k85 s LYS 643 CO 0.34 -0.18 1.95 0.25 -0.92 0.00 0.00 175.35 176.79