#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 -4.85 -1.26 -0.41 0.00 -1.26 -4.89 117.12 104.46 1k85 n MET 558 Ca 0.00 0.66 -0.35 0.00 0.00 0.00 0.00 57.70 58.01 1k85 n MET 558 Cb 0.00 -5.26 0.09 0.00 0.00 0.00 0.00 33.22 28.06 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k85 n ALA 559 N -4.19 -0.57 -1.00 3.04 0.00 -1.26 -4.99 120.51 111.53 1k85 n ALA 559 Ca -0.28 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1k85 n ALA 559 Cb 0.67 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.89 1.25 -4.41 0.00 -0.04 -1.26 -5.06 135.00 123.59 1k85 n PRO 560 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.25 1k85 n PRO 560 Cb 0.50 0.00 -0.15 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 3.00 0.07 0.52 2.01 -1.26 -4.83 115.64 115.15 1k85 s THR 561 Ca 0.00 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 1k85 s THR 561 Cb 0.00 -2.30 -0.10 0.00 0.01 0.00 0.00 72.50 70.11 1k85 s THR 561 CO 0.00 0.49 1.89 0.00 -0.69 0.00 0.00 174.62 176.31 1k85 n ALA 562 N 4.09 1.81 -0.90 7.40 0.00 -1.26 -4.45 120.51 127.21 1k85 n ALA 562 Ca -0.19 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 1k85 n ALA 562 Cb 0.52 -2.61 0.09 0.00 0.00 0.00 0.00 19.45 17.44 1k85 n ALA 562 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k85 n PRO 563 N 6.40 -0.15 -3.90 0.00 -0.02 -1.26 -4.93 135.00 131.13 1k85 n PRO 563 Ca 0.19 -0.02 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 1k85 n PRO 563 Cb 0.38 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1k85 n PRO 563 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1k85 s THR 564 N -2.23 0.00 -1.38 3.45 -1.32 -1.24 -4.23 115.64 108.69 1k85 s THR 564 Ca 0.52 -1.12 -0.09 0.00 -1.21 0.00 0.00 61.69 59.79 1k85 s THR 564 Cb -0.22 -2.06 0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1k85 s THR 564 CO 0.71 -0.00 1.15 0.59 -2.21 0.00 0.00 174.62 174.86 1k85 n ASN 565 N -0.44 -5.99 -4.74 8.08 3.02 -1.26 -1.41 115.26 112.52 1k85 n ASN 565 Ca -0.03 -0.58 -0.32 0.00 -0.03 0.00 0.00 54.58 53.62 1k85 n ASN 565 Cb 0.60 -4.88 0.09 0.00 -0.61 0.00 0.00 39.78 34.98 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1k85 s LEU 566 N -7.27 3.16 0.00 3.41 2.96 -1.26 -4.26 118.68 115.42 1k85 s LEU 566 Ca 0.57 2.04 -0.16 0.00 -0.22 0.00 0.00 54.13 56.36 1k85 s LEU 566 Cb -0.26 -4.55 0.06 0.00 0.50 0.00 0.00 46.19 41.94 1k85 s LEU 566 CO 0.74 -2.14 0.81 0.00 -1.32 0.00 0.00 176.35 174.44 1k85 n ALA 567 N -3.17 -1.93 -3.75 5.97 0.00 0.11 -4.95 120.51 112.80 1k85 n ALA 567 Ca 0.11 -1.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.19 1k85 n ALA 567 Cb 0.52 0.84 -0.17 0.00 0.00 0.00 0.00 19.45 20.64 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 -3.06 1.44 0.00 0.00 1.04 -1.26 -1.95 113.70 109.91 1k85 s SER 568 Ca 0.17 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1k85 s SER 568 Cb -0.04 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.61 1k85 s SER 568 CO 0.10 -0.15 0.00 0.35 0.98 0.00 0.00 173.24 174.51 1k85 n THR 569 N 4.85 0.00 -2.71 2.02 -2.24 -1.05 -4.91 114.28 110.23 1k85 n THR 569 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1k85 n THR 569 Cb 0.50 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 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 -4.09 2.95 -0.24 6.98 0.00 -1.26 -4.89 121.76 121.20 1k85 s ALA 570 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.38 1k85 s ALA 570 Cb 0.00 -4.04 0.04 0.00 0.00 0.00 0.00 23.12 19.12 1k85 s ALA 570 CO 0.00 -2.99 -0.12 -1.14 0.00 0.00 0.00 175.76 171.51 1k85 s GLN 571 N 4.83 2.61 0.00 0.00 -0.44 -1.26 -0.01 119.66 125.39 1k85 s GLN 571 Ca 0.29 -1.10 0.00 0.00 -2.50 0.00 0.00 55.36 52.04 1k85 s GLN 571 Cb -0.13 -2.84 0.00 0.00 -1.64 0.00 0.00 33.01 28.40 1k85 s GLN 571 CO 0.13 -0.43 0.00 0.25 0.50 0.00 0.00 175.29 175.74 1k85 n THR 572 N 4.56 0.00 -0.85 -0.34 -2.24 -0.39 -4.99 114.28 110.02 1k85 n THR 572 Ca -0.17 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1k85 n THR 572 Cb 0.46 -0.66 0.33 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 2.71 0.00 4.28 -2.24 -1.26 -4.56 114.28 113.20 1k85 n THR 573 Ca 0.00 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1k85 n THR 573 Cb 0.00 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -4.40 3.42 3.41 -1.26 -4.44 113.62 110.53 1k85 n SER 574 Ca 0.33 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.61 1k85 n SER 574 Cb 1.25 0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 65.54 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 -1.96 4.14 0.07 4.04 1.04 -1.26 -3.69 113.70 116.08 1k85 s SER 575 Ca 0.00 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.24 1k85 s SER 575 Cb 0.00 -1.56 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 1k85 s SER 575 CO 0.00 0.19 -0.23 -0.51 0.98 0.00 0.00 173.24 173.66 1k85 s ILE 576 N 0.23 2.41 -0.11 -1.02 2.07 -1.07 -1.26 121.20 122.44 1k85 s ILE 576 Ca -0.08 -1.41 -0.04 0.00 -1.41 0.00 0.00 60.65 57.71 1k85 s ILE 576 Cb -0.15 -2.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.40 1k85 s ILE 576 CO 0.05 0.28 0.05 -0.89 -1.91 0.00 0.00 174.94 172.52 1k85 s THR 577 N -0.91 4.72 -0.05 4.00 2.01 0.99 -2.27 115.64 124.13 1k85 s THR 577 Ca 0.13 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1k85 s THR 577 Cb -0.10 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.38 1k85 s THR 577 CO 0.04 0.59 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.18 1k85 s LEU 578 N -0.78 1.87 0.02 4.42 2.96 -0.37 -2.53 118.68 124.27 1k85 s LEU 578 Ca 0.12 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1k85 s LEU 578 Cb -0.12 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 1k85 s LEU 578 CO 0.03 0.13 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.48 1k85 s SER 579 N 0.18 1.84 0.27 3.68 0.15 -0.82 -1.18 113.70 117.82 1k85 s SER 579 Ca -0.07 -0.39 -0.19 0.00 0.70 0.00 0.00 55.95 56.00 1k85 s SER 579 Cb -0.13 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1k85 s SER 579 CO 0.03 0.12 0.67 -1.66 1.20 0.00 0.00 173.24 173.60 1k85 s TRP 580 N -0.62 -0.09 -0.37 3.44 -2.14 -1.24 0.07 118.94 117.98 1k85 s TRP 580 Ca 0.04 -0.34 -0.29 0.00 2.66 0.00 0.00 56.10 58.18 1k85 s TRP 580 Cb -0.07 0.60 0.02 0.00 -3.10 0.00 0.00 33.47 30.92 1k85 s TRP 580 CO 0.01 -1.17 1.09 0.95 -2.66 0.00 0.00 176.95 175.16 1k85 s THR 581 N -3.93 4.42 0.89 0.66 -4.23 -0.50 -4.88 115.64 108.07 1k85 s THR 581 Ca 0.13 1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 62.10 1k85 s THR 581 Cb -0.05 -4.47 0.10 0.00 1.34 0.00 0.00 72.50 69.42 1k85 s THR 581 CO 0.07 -0.64 0.97 0.00 -0.54 0.00 0.00 174.62 174.48 1k85 n ALA 582 N 7.16 -1.06 -1.75 3.99 0.00 -1.26 -3.73 120.51 123.86 1k85 n ALA 582 Ca 0.12 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 1k85 n ALA 582 Cb 0.48 -2.11 0.05 0.00 0.00 0.00 0.00 19.45 17.87 1k85 n ALA 582 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k85 s SER 583 N -2.33 5.13 0.00 0.00 1.04 -1.26 -4.89 113.70 111.39 1k85 s SER 583 Ca 0.66 2.68 0.26 0.00 0.48 0.00 0.00 55.95 60.03 1k85 s SER 583 Cb -0.25 -2.63 1.30 0.00 0.10 0.00 0.00 66.02 64.55 1k85 s SER 583 CO 0.58 -1.66 1.87 0.41 0.98 0.00 0.00 173.24 175.42 1k85 n THR 584 N -1.27 0.17 -3.47 2.02 -1.04 -1.26 -4.02 114.28 105.40 1k85 n THR 584 Ca 0.12 0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.91 1k85 n THR 584 Cb 0.46 -0.62 -0.09 0.00 -1.82 0.00 0.00 70.33 68.26 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k85 n ASP 585 N -1.28 2.40 -0.82 8.00 8.00 -1.26 -4.90 116.55 126.69 1k85 n ASP 585 Ca 0.12 -3.12 0.02 0.00 0.71 0.00 0.00 54.79 52.52 1k85 n ASP 585 Cb 0.20 -0.67 0.11 0.00 -0.02 0.00 0.00 41.12 40.74 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 1.41 2.14 0.10 -2.24 6.94 -1.26 -3.78 115.26 118.57 1k85 n ASN 586 Ca 0.26 -2.22 0.13 0.00 -0.02 0.00 0.00 54.58 52.73 1k85 n ASN 586 Cb 0.43 -0.50 0.36 0.00 -2.36 0.00 0.00 39.78 37.71 1k85 n ASN 586 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 1k85 h VAL 587 N 1.08 0.00 0.00 3.53 3.04 -1.95 -3.36 116.25 118.59 1k85 h VAL 587 Ca 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1k85 h VAL 587 Cb 0.83 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1k85 h VAL 587 CO 0.12 0.00 -0.53 0.61 -1.01 0.00 0.00 177.57 176.76 1k85 n GLY 588 N 1.30 0.00 3.76 3.17 0.00 -1.25 -5.07 105.19 107.11 1k85 n GLY 588 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.26 2.18 -0.14 1.61 1.01 -1.25 -3.00 120.40 119.55 1k85 s VAL 589 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1k85 s VAL 589 Cb 0.00 -3.09 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 1k85 s VAL 589 CO 0.00 0.02 0.21 1.07 0.00 0.00 0.00 175.10 176.40 1k85 n THR 590 N -0.30 0.00 -1.88 3.92 5.66 -0.76 -4.83 114.28 116.09 1k85 n THR 590 Ca 0.06 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1k85 n THR 590 Cb 0.43 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 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 1.72 -1.58 2.96 1.09 0.00 -1.21 -4.78 105.19 103.39 1k85 n GLY 591 Ca -0.00 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.55 1.18 -0.25 1.61 1.51 -0.11 -2.31 117.35 116.43 1k85 s TYR 592 Ca 0.00 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1k85 s TYR 592 Cb 0.00 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1k85 s TYR 592 CO 0.00 -0.26 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.66 1k85 s ASP 593 N 0.87 4.58 -0.12 2.29 1.11 0.18 -1.36 116.67 124.22 1k85 s ASP 593 Ca -0.11 -0.55 -0.08 0.00 0.18 0.00 0.00 52.55 51.99 1k85 s ASP 593 Cb -0.15 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.02 1k85 s ASP 593 CO 0.01 -0.08 0.17 0.54 1.18 0.00 0.00 175.17 176.98 1k85 s VAL 594 N 1.47 5.46 0.08 -1.27 0.11 -1.11 -1.58 120.40 123.56 1k85 s VAL 594 Ca 0.04 0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1k85 s VAL 594 Cb -0.15 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1k85 s VAL 594 CO -0.01 0.60 0.24 -0.31 -3.33 0.00 0.00 175.10 172.28 1k85 s TYR 595 N -0.89 3.51 -0.74 1.54 1.51 0.68 -0.86 117.35 122.11 1k85 s TYR 595 Ca 0.15 0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 56.49 1k85 s TYR 595 Cb -0.12 -1.79 0.18 0.00 -0.11 0.00 0.00 41.96 40.12 1k85 s TYR 595 CO 0.04 0.56 0.57 1.21 -1.11 0.00 0.00 175.55 176.83 1k85 s ASN 596 N -2.54 5.39 0.00 2.29 3.04 -0.10 -2.34 114.94 120.67 1k85 s ASN 596 Ca 0.36 -3.40 0.00 0.00 0.04 0.00 0.00 52.86 49.86 1k85 s ASN 596 Cb -0.13 -1.82 0.00 0.00 -1.54 0.00 0.00 41.25 37.76 1k85 s ASN 596 CO 0.28 -0.23 0.00 0.61 -3.04 0.00 0.00 177.10 174.72 1k85 n GLY 597 N 2.71 2.15 0.00 1.21 0.00 -0.67 -4.00 105.19 106.60 1k85 n GLY 597 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.94 2.61 -2.24 -1.26 -5.03 114.28 104.42 1k85 n THR 598 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1k85 n THR 598 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.70 3.98 0.21 6.98 0.00 -1.26 -5.04 121.76 125.94 1k85 s ALA 599 Ca 0.00 -0.96 -0.32 0.00 0.00 0.00 0.00 51.96 50.68 1k85 s ALA 599 Cb 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 23.12 21.20 1k85 s ALA 599 CO 0.00 0.65 1.64 -0.11 0.00 0.00 0.00 175.76 177.94 1k85 n LEU 600 N -0.23 3.76 0.00 0.00 -0.00 -1.26 -0.92 117.00 118.35 1k85 n LEU 600 Ca -0.06 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.04 1k85 n LEU 600 Cb 0.53 -1.53 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 1k85 n LEU 600 CO 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.89 1k85 n ALA 601 N 3.32 0.00 -2.12 1.96 0.00 -0.04 -4.71 120.51 118.92 1k85 n ALA 601 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 1k85 n ALA 601 Cb 0.33 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 1.60 3.35 -0.09 0.00 -1.32 -1.19 -4.96 115.64 113.02 1k85 s THR 602 Ca 0.00 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 1k85 s THR 602 Cb 0.00 -3.29 0.02 0.00 -1.51 0.00 0.00 72.50 67.72 1k85 s THR 602 CO 0.00 -0.24 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.20 1k85 s THR 603 N -2.81 0.95 0.33 5.08 2.01 -1.26 -2.73 115.64 117.21 1k85 s THR 603 Ca 0.54 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.27 1k85 s THR 603 Cb -0.10 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1k85 s THR 603 CO 0.41 0.34 0.12 1.33 -0.69 0.00 0.00 174.62 176.12 1k85 n VAL 604 N 4.49 0.00 -1.03 3.82 0.24 -0.47 -4.97 118.33 120.41 1k85 n VAL 604 Ca -0.17 -1.92 0.00 0.00 -2.04 0.00 0.00 64.34 60.21 1k85 n VAL 604 Cb 0.51 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.74 0.00 -0.76 3.34 -2.24 -1.26 -0.94 114.28 111.68 1k85 n THR 605 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1k85 n THR 605 Cb 0.49 1.68 0.00 0.00 -2.10 0.00 0.00 70.33 70.41 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 3.81 1.59 3.38 0.00 -1.26 -4.67 105.19 108.03 1k85 n GLY 606 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 2.74 -3.91 2.61 -2.24 -1.26 -4.78 114.28 107.44 1k85 n THR 607 Ca 0.00 -1.98 -0.09 0.00 -2.27 0.00 0.00 64.05 59.71 1k85 n THR 607 Cb 0.00 -0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.82 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 -3.05 0.10 0.00 4.28 -4.23 -1.26 -3.69 115.64 107.79 1k85 s THR 608 Ca 0.50 -1.28 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1k85 s THR 608 Cb 0.42 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1k85 s THR 608 CO 0.09 -0.47 0.13 0.00 -0.54 0.00 0.00 174.62 173.83 1k85 s ALA 609 N -3.91 -0.31 -0.11 3.99 0.00 -0.32 -4.68 121.76 116.41 1k85 s ALA 609 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1k85 s ALA 609 Cb 0.04 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.31 1k85 s ALA 609 CO -0.06 -0.21 -0.03 0.99 0.00 0.00 0.00 175.76 176.46 1k85 s THR 610 N -1.40 0.72 -0.14 0.00 2.01 -1.26 -1.24 115.64 114.34 1k85 s THR 610 Ca -0.15 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 1k85 s THR 610 Cb -0.08 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1k85 s THR 610 CO 0.02 0.22 0.16 -0.63 -0.69 0.00 0.00 174.62 173.69 1k85 s ILE 611 N 1.82 5.45 0.13 1.82 1.09 -0.96 -4.71 121.20 125.84 1k85 s ILE 611 Ca 0.04 0.25 0.02 0.00 -1.10 0.00 0.00 60.65 59.85 1k85 s ILE 611 Cb -0.13 -3.44 0.02 0.00 -1.06 0.00 0.00 42.46 37.85 1k85 s ILE 611 CO -0.07 0.56 0.18 -0.24 -0.10 0.00 0.00 174.94 175.27 1k85 n SER 612 N 2.47 0.48 0.00 3.58 2.88 -1.26 -2.61 113.62 119.16 1k85 n SER 612 Ca -0.18 -1.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 1k85 n SER 612 Cb 0.54 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1k85 n SER 612 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k85 n GLY 613 N 3.38 0.97 1.33 0.46 0.00 -1.24 -4.87 105.19 105.21 1k85 n GLY 613 Ca 0.04 0.38 0.18 0.00 0.00 0.00 0.00 46.02 46.61 1k85 n GLY 613 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k85 n LEU 614 N 0.00 -0.68 -3.63 0.99 4.32 -1.26 -4.47 117.00 112.28 1k85 n LEU 614 Ca 0.00 1.51 -0.02 0.00 -0.02 0.00 0.00 56.01 57.48 1k85 n LEU 614 Cb 0.00 -4.11 -0.06 0.00 -1.62 0.00 0.00 43.42 37.62 1k85 n LEU 614 CO 0.00 -3.38 0.69 0.00 -1.22 0.00 0.00 177.39 173.47 1k85 s ALA 615 N -2.37 -2.33 1.01 -1.18 0.00 -1.26 -4.89 121.76 110.75 1k85 s ALA 615 Ca 0.00 2.18 -0.13 0.00 0.00 0.00 0.00 51.96 54.01 1k85 s ALA 615 Cb 0.00 -1.75 0.11 0.00 0.00 0.00 0.00 23.12 21.48 1k85 s ALA 615 CO 0.00 -0.39 0.58 0.00 0.00 0.00 0.00 175.76 175.94 1k85 n ALA 616 N 3.77 -2.57 -2.65 0.00 0.00 -1.26 -3.14 120.51 114.66 1k85 n ALA 616 Ca -0.18 -0.82 -0.21 0.00 0.00 0.00 0.00 53.44 52.23 1k85 n ALA 616 Cb 0.57 -1.86 0.01 0.00 0.00 0.00 0.00 19.45 18.17 1k85 n ALA 616 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k85 n ASP 617 N -2.58 -5.69 -3.96 0.00 -0.08 -1.23 -4.95 116.55 98.06 1k85 n ASP 617 Ca 0.06 -0.10 -0.10 0.00 -1.51 0.00 0.00 54.79 53.14 1k85 n ASP 617 Cb 0.55 -4.69 -0.11 0.00 2.34 0.00 0.00 41.12 39.20 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 -3.04 0.09 -0.10 5.18 2.01 -1.19 -5.00 115.64 113.59 1k85 s THR 618 Ca 0.12 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 1k85 s THR 618 Cb -0.05 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 1k85 s THR 618 CO 0.15 -0.40 0.05 -0.94 -0.69 0.00 0.00 174.62 172.78 1k85 s SER 619 N -1.19 5.64 -0.04 3.53 1.04 -1.26 -2.41 113.70 119.01 1k85 s SER 619 Ca -0.13 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.57 1k85 s SER 619 Cb -0.08 -1.68 0.02 0.00 0.10 0.00 0.00 66.02 64.38 1k85 s SER 619 CO -0.01 0.39 -0.04 -0.31 0.98 0.00 0.00 173.24 174.25 1k85 s TYR 620 N -0.94 0.67 -0.39 5.02 2.02 -0.26 -4.98 117.35 118.49 1k85 s TYR 620 Ca 0.14 -0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 56.57 1k85 s TYR 620 Cb -0.12 -0.61 0.05 0.00 -0.40 0.00 0.00 41.96 40.88 1k85 s TYR 620 CO 0.03 -0.17 0.22 0.95 -1.57 0.00 0.00 175.55 175.01 1k85 s THR 621 N 0.87 4.43 0.25 -0.71 -4.23 -1.26 -2.01 115.64 112.98 1k85 s THR 621 Ca -0.11 -1.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 1k85 s THR 621 Cb -0.14 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1k85 s THR 621 CO 0.00 -0.33 0.37 -0.36 -0.54 0.00 0.00 174.62 173.76 1k85 s PHE 622 N 1.50 3.44 -0.20 3.99 0.08 -1.04 -1.66 117.98 124.10 1k85 s PHE 622 Ca 0.02 -0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.90 1k85 s PHE 622 Cb -0.21 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 40.71 1k85 s PHE 622 CO 0.05 0.42 0.50 0.95 -0.10 0.00 0.00 175.22 177.04 1k85 s THR 623 N -1.99 -0.01 0.11 0.64 -4.23 -0.99 -2.13 115.64 107.04 1k85 s THR 623 Ca 0.35 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1k85 s THR 623 Cb -0.09 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 1k85 s THR 623 CO 0.29 0.01 0.26 0.68 -0.54 0.00 0.00 174.62 175.32 1k85 s VAL 624 N 0.74 5.34 -0.02 2.29 -7.23 -1.26 -0.23 120.40 120.03 1k85 s VAL 624 Ca -0.04 -0.45 -0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1k85 s VAL 624 Cb -0.05 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.23 1k85 s VAL 624 CO -0.05 0.03 0.03 -0.54 -0.31 0.00 0.00 175.10 174.26 1k85 s LYS 625 N -2.82 -0.01 -0.22 4.82 -0.14 -0.61 -1.21 119.74 119.56 1k85 s LYS 625 Ca 0.36 0.13 -0.17 0.00 -1.36 0.00 0.00 55.97 54.93 1k85 s LYS 625 Cb -0.12 -0.14 -0.03 0.00 -1.68 0.00 0.00 37.83 35.85 1k85 s LYS 625 CO 0.28 -0.10 0.48 0.00 -0.76 0.00 0.00 175.35 175.24 1k85 s ALA 626 N 0.65 3.56 0.03 5.17 0.00 -1.26 -0.65 121.76 129.26 1k85 s ALA 626 Ca -0.05 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1k85 s ALA 626 Cb -0.08 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1k85 s ALA 626 CO -0.02 -0.48 -0.22 -1.59 0.00 0.00 0.00 175.76 173.45 1k85 s LYS 627 N 1.71 2.00 0.26 0.00 -2.85 -0.98 -1.57 119.74 118.31 1k85 s LYS 627 Ca 0.22 -1.01 0.09 0.00 -1.00 0.00 0.00 55.97 54.27 1k85 s LYS 627 Cb -0.15 -2.10 -0.04 0.00 -2.06 0.00 0.00 37.83 33.48 1k85 s LYS 627 CO 0.09 0.54 0.07 0.16 0.10 0.00 0.00 175.35 176.31 1k85 s ASP 628 N -1.21 4.89 -1.18 0.03 1.47 -1.16 -1.84 116.67 117.66 1k85 s ASP 628 Ca 0.13 -0.51 -0.07 0.00 1.18 0.00 0.00 52.55 53.27 1k85 s ASP 628 Cb -0.10 -1.04 -0.03 0.00 -0.34 0.00 0.00 42.92 41.41 1k85 s ASP 628 CO 0.03 -0.02 2.86 0.00 0.68 0.00 0.00 175.17 178.72 1k85 n ALA 629 N -1.00 7.06 0.00 2.11 0.00 -1.16 -3.59 120.51 123.93 1k85 n ALA 629 Ca -0.07 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1k85 n ALA 629 Cb 0.59 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 2.57 0.20 0.00 0.00 0.00 -1.26 -5.05 120.51 116.97 1k85 n ALA 630 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1k85 n ALA 630 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.16 0.58 2.96 0.00 0.00 -1.24 -4.97 105.19 101.37 1k85 n GLY 631 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.66 4.59 -0.29 1.61 -0.87 -1.26 -4.88 114.94 113.17 1k85 s ASN 632 Ca 0.00 -2.00 -0.12 0.00 -1.57 0.00 0.00 52.86 49.17 1k85 s ASN 632 Cb 0.00 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.25 39.72 1k85 s ASN 632 CO 0.00 -0.38 0.21 -0.69 -2.57 0.00 0.00 177.10 173.67 1k85 s VAL 633 N 1.06 5.30 0.52 1.60 1.01 -1.26 -2.97 120.40 125.66 1k85 s VAL 633 Ca 0.10 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1k85 s VAL 633 Cb -0.19 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1k85 s VAL 633 CO -0.11 0.19 0.42 -1.54 0.00 0.00 0.00 175.10 174.06 1k85 n SER 634 N 5.08 -1.83 -4.89 3.32 3.41 -0.61 -5.00 113.62 113.11 1k85 n SER 634 Ca -0.14 -0.66 -0.30 0.00 -0.26 0.00 0.00 58.87 57.52 1k85 n SER 634 Cb 0.51 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.75 2.81 0.27 7.33 0.00 -1.26 -4.72 121.76 123.43 1k85 s ALA 635 Ca 0.28 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.54 1k85 s ALA 635 Cb -0.03 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1k85 s ALA 635 CO 0.22 -1.33 0.89 0.00 0.00 0.00 0.00 175.76 175.54 1k85 s ALA 636 N -3.43 3.30 1.04 0.00 0.00 -1.26 -4.31 121.76 117.10 1k85 s ALA 636 Ca 0.59 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 1k85 s ALA 636 Cb -0.11 -3.11 0.21 0.00 0.00 0.00 0.00 23.12 20.12 1k85 s ALA 636 CO 0.51 0.22 1.19 0.45 0.00 0.00 0.00 175.76 178.13 1k85 s SER 637 N -1.45 2.40 0.67 0.00 0.15 -0.35 -4.92 113.70 110.21 1k85 s SER 637 Ca 0.45 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.54 1k85 s SER 637 Cb -0.21 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1k85 s SER 637 CO 0.26 -3.20 1.28 0.54 1.20 0.00 0.00 173.24 173.31 1k85 s ASN 638 N -4.26 4.44 0.18 5.45 2.20 -1.26 -4.65 114.94 117.05 1k85 s ASN 638 Ca 0.70 2.59 -0.30 0.00 -0.94 0.00 0.00 52.86 54.90 1k85 s ASN 638 Cb -0.09 -2.61 -0.08 0.00 -2.00 0.00 0.00 41.25 36.47 1k85 s ASN 638 CO 0.54 -2.11 0.95 0.00 -2.94 0.00 0.00 177.10 173.55 1k85 s ALA 639 N -1.51 3.30 -0.26 3.54 0.00 -1.26 -4.62 121.76 120.94 1k85 s ALA 639 Ca 0.81 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 1k85 s ALA 639 Cb -0.36 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1k85 s ALA 639 CO 0.41 0.10 -0.07 0.14 0.00 0.00 0.00 175.76 176.34 1k85 s VAL 640 N -0.65 2.62 -0.46 0.00 -7.23 -0.91 -4.95 120.40 108.83 1k85 s VAL 640 Ca 0.44 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 59.06 1k85 s VAL 640 Cb -0.25 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.28 1k85 s VAL 640 CO 0.31 0.06 0.77 -0.55 -0.31 0.00 0.00 175.10 175.38 1k85 s SER 641 N 1.23 6.38 0.04 4.85 0.15 -1.26 -2.49 113.70 122.60 1k85 s SER 641 Ca -0.04 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.48 1k85 s SER 641 Cb -0.18 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1k85 s SER 641 CO -0.04 -0.92 -0.24 0.68 1.20 0.00 0.00 173.24 173.91 1k85 s VAL 642 N 3.24 2.31 -0.15 4.45 -7.23 -0.85 -4.97 120.40 117.20 1k85 s VAL 642 Ca 0.28 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1k85 s VAL 642 Cb -0.13 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.92 1k85 s VAL 642 CO 0.21 0.36 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.69 1k85 s LYS 643 N -1.28 2.23 0.00 4.82 -0.14 -1.26 -1.10 119.74 123.01 1k85 s LYS 643 Ca 0.12 -0.55 0.29 0.00 -1.36 0.00 0.00 55.97 54.47 1k85 s LYS 643 Cb -0.10 -2.09 1.25 0.00 -1.68 0.00 0.00 37.83 35.21 1k85 s LYS 643 CO 0.03 -0.25 1.86 0.25 -0.76 0.00 0.00 175.35 176.47