#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 -1.48 -2.32 -0.41 0.00 -1.26 -4.81 117.12 106.84 1k85 n MET 558 Ca 0.00 1.08 -0.37 0.00 -0.00 0.00 0.00 57.70 58.41 1k85 n MET 558 Cb 0.00 -5.48 -0.02 0.00 0.00 0.00 0.00 33.22 27.73 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k85 s ALA 559 N -2.65 2.97 1.00 -5.12 0.00 -1.26 -4.80 121.76 111.90 1k85 s ALA 559 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1k85 s ALA 559 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 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 -0.48 1.11 -4.19 0.00 -0.04 -1.26 -4.93 135.00 125.20 1k85 n PRO 560 Ca 0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 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 0.95 -0.04 0.00 0.00 175.50 176.41 1k85 s THR 561 N 0.00 3.28 0.24 0.52 -4.23 -1.26 -4.53 115.64 109.65 1k85 s THR 561 Ca 0.00 -0.54 -0.31 0.00 -1.18 0.00 0.00 61.69 59.65 1k85 s THR 561 Cb 0.00 -2.45 -0.12 0.00 1.34 0.00 0.00 72.50 71.27 1k85 s THR 561 CO 0.00 0.46 1.65 0.00 -0.54 0.00 0.00 174.62 176.19 1k85 n ALA 562 N 4.32 2.51 -0.56 3.99 0.00 -1.26 -4.52 120.51 125.00 1k85 n ALA 562 Ca -0.18 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.44 1k85 n ALA 562 Cb 0.51 -2.47 0.15 0.00 0.00 0.00 0.00 19.45 17.64 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 3.12 -2.14 -3.63 0.00 -0.02 -1.26 -4.91 135.00 126.17 1k85 n PRO 563 Ca 0.13 -0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 60.82 1k85 n PRO 563 Cb 0.35 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 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 -2.10 0.02 -0.82 3.45 -1.32 -1.23 -4.68 115.64 108.96 1k85 s THR 564 Ca 0.40 -0.18 -0.02 0.00 -1.21 0.00 0.00 61.69 60.68 1k85 s THR 564 Cb -0.06 -0.83 -0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1k85 s THR 564 CO 0.40 -0.10 0.72 0.59 -2.21 0.00 0.00 174.62 174.03 1k85 n ASN 565 N 1.25 -7.11 -4.84 8.08 4.13 -1.26 -2.12 115.26 113.40 1k85 n ASN 565 Ca -0.19 -0.34 -0.31 0.00 1.68 0.00 0.00 54.58 55.42 1k85 n ASN 565 Cb 0.57 -4.70 0.03 0.00 -1.54 0.00 0.00 39.78 34.14 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 -4.47 3.18 0.38 3.41 2.96 -1.26 -4.09 118.68 118.78 1k85 s LEU 566 Ca 0.09 1.55 -0.16 0.00 -0.22 0.00 0.00 54.13 55.40 1k85 s LEU 566 Cb -0.02 -4.49 0.06 0.00 0.50 0.00 0.00 46.19 42.24 1k85 s LEU 566 CO 0.78 -1.23 0.82 0.00 -1.32 0.00 0.00 176.35 175.40 1k85 s ALA 567 N -3.07 -0.77 -0.05 5.97 0.00 0.85 -4.96 121.76 119.73 1k85 s ALA 567 Ca 0.57 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 1k85 s ALA 567 Cb -0.13 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1k85 s ALA 567 CO 0.54 -0.99 0.12 -1.54 0.00 0.00 0.00 175.76 173.89 1k85 s SER 568 N -3.12 -0.07 0.00 0.00 1.04 -1.26 -1.53 113.70 108.76 1k85 s SER 568 Ca 0.17 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1k85 s SER 568 Cb -0.05 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1k85 s SER 568 CO 0.11 -0.14 0.00 0.35 0.98 0.00 0.00 173.24 174.54 1k85 n THR 569 N 4.18 0.00 -2.79 2.02 -2.24 -0.39 -4.89 114.28 110.17 1k85 n THR 569 Ca -0.27 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1k85 n THR 569 Cb 0.51 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 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 -4.70 3.06 -0.55 6.98 0.00 -1.26 -4.90 121.76 120.38 1k85 s ALA 570 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 51.96 49.89 1k85 s ALA 570 Cb 0.00 -4.03 0.14 0.00 0.00 0.00 0.00 23.12 19.23 1k85 s ALA 570 CO 0.00 -2.99 0.43 -0.65 0.00 0.00 0.00 175.76 172.55 1k85 s GLN 571 N 4.19 2.68 0.00 0.00 1.11 -1.26 -0.28 119.66 126.10 1k85 s GLN 571 Ca 0.29 -1.98 0.00 0.00 0.01 0.00 0.00 55.36 53.68 1k85 s GLN 571 Cb -0.11 -3.99 0.00 0.00 -1.01 0.00 0.00 33.01 27.89 1k85 s GLN 571 CO 0.05 -1.22 0.00 0.25 0.01 0.00 0.00 175.29 174.39 1k85 n THR 572 N 4.59 0.00 -0.10 -0.19 -2.24 0.09 -4.99 114.28 111.44 1k85 n THR 572 Ca -0.03 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1k85 n THR 572 Cb 0.41 -0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.57 0.61 4.28 -2.24 -1.26 -4.56 114.28 112.68 1k85 n THR 573 Ca 0.00 -0.42 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 1k85 n THR 573 Cb 0.00 -1.75 0.01 0.00 -2.10 0.00 0.00 70.33 66.49 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 -3.86 1.63 -4.14 3.42 3.41 -1.26 -3.79 113.62 109.04 1k85 n SER 574 Ca -0.43 -1.32 -0.09 0.00 -0.26 0.00 0.00 58.87 56.77 1k85 n SER 574 Cb 0.91 0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 65.13 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 -1.60 0.42 -0.05 4.04 1.04 -1.26 -2.18 113.70 114.11 1k85 s SER 575 Ca 0.13 -1.14 -0.23 0.00 0.48 0.00 0.00 55.95 55.18 1k85 s SER 575 Cb 0.11 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1k85 s SER 575 CO 0.31 -0.68 0.51 -0.51 0.98 0.00 0.00 173.24 173.85 1k85 s ILE 576 N -3.99 0.02 -0.18 -1.02 2.07 -1.05 -0.73 121.20 116.32 1k85 s ILE 576 Ca 0.19 -0.20 -0.03 0.00 -1.41 0.00 0.00 60.65 59.19 1k85 s ILE 576 Cb 0.08 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 1k85 s ILE 576 CO -0.02 -0.11 -0.05 -0.89 -1.91 0.00 0.00 174.94 171.97 1k85 s THR 577 N -1.11 3.60 0.08 4.00 2.01 0.62 -2.36 115.64 122.47 1k85 s THR 577 Ca -0.11 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1k85 s THR 577 Cb -0.03 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1k85 s THR 577 CO 0.07 0.46 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.69 1k85 s LEU 578 N 0.88 3.44 -0.07 4.42 1.02 -0.40 -1.27 118.68 126.70 1k85 s LEU 578 Ca -0.01 -0.17 -0.05 0.00 0.02 0.00 0.00 54.13 53.93 1k85 s LEU 578 Cb -0.15 -2.15 0.03 0.00 0.02 0.00 0.00 46.19 43.94 1k85 s LEU 578 CO 0.01 0.19 0.18 -0.55 0.02 0.00 0.00 176.35 176.20 1k85 s SER 579 N -2.20 -0.17 0.25 2.29 0.15 -0.58 -2.02 113.70 111.41 1k85 s SER 579 Ca 0.25 0.36 -0.14 0.00 0.70 0.00 0.00 55.95 57.12 1k85 s SER 579 Cb -0.12 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1k85 s SER 579 CO 0.17 -0.11 0.50 -1.66 1.20 0.00 0.00 173.24 173.35 1k85 s TRP 580 N 0.64 0.30 -0.46 3.44 -2.14 -1.20 -0.10 118.94 119.42 1k85 s TRP 580 Ca -0.05 -0.67 -0.29 0.00 2.66 0.00 0.00 56.10 57.76 1k85 s TRP 580 Cb -0.06 0.24 0.03 0.00 -3.10 0.00 0.00 33.47 30.58 1k85 s TRP 580 CO -0.03 -1.02 1.11 0.99 -2.66 0.00 0.00 176.95 175.34 1k85 s THR 581 N -4.01 4.26 0.63 0.66 2.01 -0.90 -4.91 115.64 113.38 1k85 s THR 581 Ca 0.21 1.21 -0.17 0.00 0.31 0.00 0.00 61.69 63.25 1k85 s THR 581 Cb -0.01 -4.57 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 1k85 s THR 581 CO 0.09 -0.95 0.62 0.00 -0.69 0.00 0.00 174.62 173.69 1k85 n ALA 582 N 7.69 -0.99 -1.67 7.40 0.00 -1.26 -3.55 120.51 128.13 1k85 n ALA 582 Ca 0.11 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 53.01 1k85 n ALA 582 Cb 0.49 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 1k85 n ALA 582 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k85 n SER 583 N -0.09 2.61 0.29 0.00 3.41 -1.26 -4.85 113.62 113.74 1k85 n SER 583 Ca 0.12 1.16 0.16 0.00 -0.26 0.00 0.00 58.87 60.04 1k85 n SER 583 Cb 0.48 -1.42 0.89 0.00 -0.26 0.00 0.00 64.21 63.90 1k85 n SER 583 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1k85 h THR 584 N 2.85 0.40 -1.48 6.66 2.02 -1.88 -2.51 112.91 118.97 1k85 h THR 584 Ca -0.45 -0.24 -0.68 0.00 0.77 0.00 0.00 66.41 65.81 1k85 h THR 584 Cb 1.28 1.17 -0.25 0.00 -1.74 0.00 0.00 68.15 68.61 1k85 h THR 584 CO 0.72 0.05 0.88 0.47 0.37 0.00 0.00 175.52 178.00 1k85 n ASP 585 N -3.55 7.38 0.00 4.18 9.92 -1.26 -4.63 116.55 128.58 1k85 n ASP 585 Ca -0.02 -3.69 0.04 0.00 -0.53 0.00 0.00 54.79 50.58 1k85 n ASP 585 Cb 0.16 -1.07 0.16 0.00 -0.64 0.00 0.00 41.12 39.73 1k85 n ASP 585 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1k85 n ASN 586 N -0.40 0.00 0.00 -2.24 6.94 -0.95 -1.89 115.26 116.72 1k85 n ASN 586 Ca 0.54 0.47 0.08 0.00 -0.02 0.00 0.00 54.58 55.66 1k85 n ASN 586 Cb 0.42 -0.48 0.50 0.00 -2.36 0.00 0.00 39.78 37.86 1k85 n ASN 586 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1k85 n VAL 587 N -1.48 0.00 -0.83 3.53 0.24 -1.26 -3.09 118.33 115.44 1k85 n VAL 587 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1k85 n VAL 587 Cb 0.08 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k85 n GLY 588 N 0.43 1.00 3.89 7.63 0.00 -0.79 -5.10 105.19 112.24 1k85 n GLY 588 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 5.21 -0.09 1.61 1.01 -1.18 -4.36 120.40 122.61 1k85 s VAL 589 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1k85 s VAL 589 Cb 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1k85 s VAL 589 CO 0.00 0.23 0.01 1.07 0.00 0.00 0.00 175.10 176.41 1k85 n THR 590 N 0.68 0.62 -3.85 3.92 5.66 -1.20 -4.94 114.28 115.17 1k85 n THR 590 Ca -0.07 -0.36 -0.06 0.00 -3.05 0.00 0.00 64.05 60.51 1k85 n THR 590 Cb 0.52 -0.78 0.03 0.00 -1.55 0.00 0.00 70.33 68.54 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 2.53 0.78 2.97 1.09 0.00 -1.22 -4.77 105.19 106.57 1k85 n GLY 591 Ca -0.15 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.13 0.81 -0.20 1.61 1.51 -0.34 -2.60 117.35 116.02 1k85 s TYR 592 Ca 0.20 -0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1k85 s TYR 592 Cb -0.04 -0.60 -0.00 0.00 -0.11 0.00 0.00 41.96 41.21 1k85 s TYR 592 CO 0.09 -0.10 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.84 1k85 s ASP 593 N 0.26 4.05 -0.10 2.29 1.01 0.30 -1.04 116.67 123.44 1k85 s ASP 593 Ca -0.04 -0.43 -0.07 0.00 0.71 0.00 0.00 52.55 52.72 1k85 s ASP 593 Cb -0.08 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 1k85 s ASP 593 CO 0.00 0.01 0.16 0.54 0.21 0.00 0.00 175.17 176.09 1k85 s VAL 594 N 1.30 5.47 0.37 -1.27 0.11 -1.12 -0.72 120.40 124.54 1k85 s VAL 594 Ca 0.04 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.35 1k85 s VAL 594 Cb -0.14 -3.44 -0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1k85 s VAL 594 CO -0.04 0.58 0.52 -0.31 -3.33 0.00 0.00 175.10 172.52 1k85 s TYR 595 N -1.07 3.06 -0.37 1.54 1.51 0.61 -1.72 117.35 120.92 1k85 s TYR 595 Ca 0.17 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1k85 s TYR 595 Cb -0.12 -2.13 0.15 0.00 -0.11 0.00 0.00 41.96 39.75 1k85 s TYR 595 CO 0.06 -0.16 0.25 1.21 -1.11 0.00 0.00 175.55 175.81 1k85 s ASN 596 N -4.22 2.43 -0.44 2.29 2.47 0.55 -2.80 114.94 115.23 1k85 s ASN 596 Ca 0.48 -2.44 -0.02 0.00 0.42 0.00 0.00 52.86 51.30 1k85 s ASN 596 Cb -0.10 -0.37 -0.03 0.00 -1.45 0.00 0.00 41.25 39.30 1k85 s ASN 596 CO 0.32 -0.27 0.38 0.61 -3.72 0.00 0.00 177.10 174.43 1k85 n GLY 597 N 3.68 -0.03 3.46 1.21 0.00 -1.03 -3.70 105.19 108.79 1k85 n GLY 597 Ca 0.17 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.16 -1.91 -3.27 2.61 -2.24 -1.26 -4.96 114.28 101.09 1k85 n THR 598 Ca -0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1k85 n THR 598 Cb 0.55 -2.96 -0.02 0.00 -2.10 0.00 0.00 70.33 65.79 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 -3.18 -2.17 0.08 6.98 0.00 -1.24 -5.14 121.76 117.10 1k85 s ALA 599 Ca 0.48 1.92 -0.37 0.00 0.00 0.00 0.00 51.96 54.00 1k85 s ALA 599 Cb -0.23 -2.06 -0.17 0.00 0.00 0.00 0.00 23.12 20.65 1k85 s ALA 599 CO 0.60 -1.24 1.21 -0.11 0.00 0.00 0.00 175.76 176.22 1k85 n LEU 600 N 5.43 1.10 0.00 0.00 -0.00 -1.26 -0.33 117.00 121.94 1k85 n LEU 600 Ca -0.04 1.13 0.00 0.00 -0.00 0.00 0.00 56.01 57.11 1k85 n LEU 600 Cb 0.51 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1k85 n LEU 600 CO 0.02 -1.38 0.00 0.00 -0.00 0.00 0.00 177.39 176.03 1k85 n ALA 601 N 1.99 0.20 -2.04 1.96 0.00 -0.70 -4.75 120.51 117.17 1k85 n ALA 601 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 1k85 n ALA 601 Cb 0.17 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.66 1k85 n ALA 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1k85 s THR 602 N 0.69 2.95 0.00 0.00 -1.32 -1.24 -4.99 115.64 111.74 1k85 s THR 602 Ca 0.00 -0.46 0.03 0.00 -1.21 0.00 0.00 61.69 60.05 1k85 s THR 602 Cb 0.00 -3.15 -0.01 0.00 -1.51 0.00 0.00 72.50 67.83 1k85 s THR 602 CO 0.00 -0.12 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.30 1k85 s THR 603 N -2.86 0.79 0.27 5.08 2.01 -1.26 -2.78 115.64 116.89 1k85 s THR 603 Ca 0.56 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1k85 s THR 603 Cb -0.10 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1k85 s THR 603 CO 0.41 0.14 0.23 1.33 -0.69 0.00 0.00 174.62 176.04 1k85 n VAL 604 N 2.60 0.00 -0.01 3.82 0.24 -0.21 -4.89 118.33 119.88 1k85 n VAL 604 Ca -0.15 -1.94 0.00 0.00 -2.04 0.00 0.00 64.34 60.22 1k85 n VAL 604 Cb 0.56 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.51 0.00 0.00 3.34 -2.24 -1.26 -1.19 114.28 112.42 1k85 n THR 605 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1k85 n THR 605 Cb 0.48 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.50 0.00 3.38 0.00 -1.26 -4.62 105.19 103.19 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 -3.14 2.61 -2.24 -1.26 -4.83 114.28 105.42 1k85 n THR 607 Ca 0.00 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 1k85 n THR 607 Cb 0.00 0.76 0.04 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.46 2.27 -0.28 4.28 -4.23 -1.26 -3.21 115.64 111.76 1k85 s THR 608 Ca 0.00 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1k85 s THR 608 Cb 0.00 -2.34 0.11 0.00 1.34 0.00 0.00 72.50 71.61 1k85 s THR 608 CO 0.00 0.00 0.63 0.00 -0.54 0.00 0.00 174.62 174.71 1k85 s ALA 609 N -2.61 -1.86 -0.28 3.99 0.00 -0.86 -4.74 121.76 115.40 1k85 s ALA 609 Ca 0.57 2.25 -0.08 0.00 0.00 0.00 0.00 51.96 54.70 1k85 s ALA 609 Cb -0.06 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1k85 s ALA 609 CO 0.36 -0.71 0.11 0.99 0.00 0.00 0.00 175.76 176.51 1k85 s THR 610 N 2.41 4.43 -0.20 0.00 2.01 -1.26 -1.28 115.64 121.75 1k85 s THR 610 Ca -0.07 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1k85 s THR 610 Cb -0.10 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 1k85 s THR 610 CO -0.18 0.18 0.03 -0.63 -0.69 0.00 0.00 174.62 173.32 1k85 s ILE 611 N 1.60 4.24 0.47 1.82 1.01 -0.99 -4.78 121.20 124.56 1k85 s ILE 611 Ca 0.05 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.56 1k85 s ILE 611 Cb -0.16 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.39 1k85 s ILE 611 CO 0.05 0.42 0.44 -0.94 0.00 0.00 0.00 174.94 174.91 1k85 s SER 612 N 0.93 4.95 -0.61 3.58 1.04 -1.26 -2.54 113.70 119.80 1k85 s SER 612 Ca 0.02 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.55 1k85 s SER 612 Cb -0.14 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1k85 s SER 612 CO 0.02 -0.86 0.56 0.61 0.98 0.00 0.00 173.24 174.56 1k85 n GLY 613 N -1.70 -0.92 3.21 7.32 0.00 -1.04 -4.95 105.19 107.11 1k85 n GLY 613 Ca 0.04 0.32 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.81 2.37 0.00 0.99 1.02 -0.93 -5.02 118.68 113.31 1k85 s LEU 614 Ca 0.08 -0.76 0.08 0.00 0.02 0.00 0.00 54.13 53.55 1k85 s LEU 614 Cb -0.01 -0.48 -0.02 0.00 0.02 0.00 0.00 46.19 45.70 1k85 s LEU 614 CO 0.56 -0.15 -0.24 0.00 0.02 0.00 0.00 176.35 176.53 1k85 s ALA 615 N -1.97 2.03 1.05 4.21 0.00 -1.25 -4.01 121.76 121.83 1k85 s ALA 615 Ca 0.05 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 1k85 s ALA 615 Cb -0.06 -0.49 0.22 0.00 0.00 0.00 0.00 23.12 22.79 1k85 s ALA 615 CO 0.02 0.49 1.15 0.00 0.00 0.00 0.00 175.76 177.42 1k85 s ALA 616 N -0.64 1.25 -1.55 0.00 0.00 -1.26 -3.90 121.76 115.66 1k85 s ALA 616 Ca 0.10 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1k85 s ALA 616 Cb -0.09 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1k85 s ALA 616 CO 0.00 -2.92 0.00 -0.25 0.00 0.00 0.00 175.76 172.59 1k85 n ASP 617 N -4.22 -5.07 -3.90 0.00 8.00 -1.26 -4.96 116.55 105.14 1k85 n ASP 617 Ca 0.10 0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.59 1k85 n ASP 617 Cb 0.59 -4.28 -0.14 0.00 -0.02 0.00 0.00 41.12 37.27 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 -2.83 0.10 0.05 -3.53 2.01 -1.25 -5.03 115.64 105.16 1k85 s THR 618 Ca 0.00 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.61 1k85 s THR 618 Cb 0.00 -0.12 -0.06 0.00 0.01 0.00 0.00 72.50 72.33 1k85 s THR 618 CO 0.00 -0.05 0.63 -0.44 -0.69 0.00 0.00 174.62 174.07 1k85 s SER 619 N -0.23 7.08 -0.04 3.53 0.01 -1.26 -2.60 113.70 120.19 1k85 s SER 619 Ca -0.02 1.29 0.02 0.00 1.31 0.00 0.00 55.95 58.55 1k85 s SER 619 Cb -0.02 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1k85 s SER 619 CO -0.00 0.17 -0.08 -0.31 0.41 0.00 0.00 173.24 173.43 1k85 s TYR 620 N -0.63 0.93 -0.29 2.43 2.02 -0.97 -5.01 117.35 115.83 1k85 s TYR 620 Ca 0.32 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.73 1k85 s TYR 620 Cb -0.20 -0.71 0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1k85 s TYR 620 CO 0.20 -0.15 0.00 0.95 -1.57 0.00 0.00 175.55 174.98 1k85 s THR 621 N 0.48 3.10 0.34 -0.71 -4.23 -1.26 -2.11 115.64 111.25 1k85 s THR 621 Ca -0.07 -1.24 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 1k85 s THR 621 Cb -0.11 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1k85 s THR 621 CO 0.01 -0.03 0.41 -0.36 -0.54 0.00 0.00 174.62 174.11 1k85 s PHE 622 N 1.30 3.03 -0.05 3.99 0.08 -0.98 -2.45 117.98 122.90 1k85 s PHE 622 Ca -0.03 -0.25 -0.31 0.00 0.12 0.00 0.00 56.93 56.46 1k85 s PHE 622 Cb -0.19 -1.94 0.07 0.00 -0.57 0.00 0.00 43.02 40.39 1k85 s PHE 622 CO -0.01 0.04 0.69 0.95 -0.10 0.00 0.00 175.22 176.79 1k85 s THR 623 N -2.22 0.00 0.03 0.64 -4.23 -1.12 -1.65 115.64 107.08 1k85 s THR 623 Ca 0.44 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1k85 s THR 623 Cb -0.08 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 1k85 s THR 623 CO 0.30 0.00 -0.05 0.68 -0.54 0.00 0.00 174.62 175.00 1k85 s VAL 624 N -1.25 3.72 -0.05 2.29 -7.23 -1.26 -0.28 120.40 116.34 1k85 s VAL 624 Ca -0.10 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1k85 s VAL 624 Cb -0.00 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1k85 s VAL 624 CO 0.09 0.32 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.63 1k85 s LYS 625 N -1.65 0.82 0.26 4.82 -0.14 0.10 -1.25 119.74 122.71 1k85 s LYS 625 Ca 0.19 -0.07 -0.25 0.00 -1.36 0.00 0.00 55.97 54.47 1k85 s LYS 625 Cb -0.11 -0.89 -0.09 0.00 -1.68 0.00 0.00 37.83 35.06 1k85 s LYS 625 CO 0.10 -0.13 0.88 0.00 -0.76 0.00 0.00 175.35 175.44 1k85 s ALA 626 N 1.13 3.31 0.01 5.17 0.00 -1.26 -0.54 121.76 129.58 1k85 s ALA 626 Ca -0.08 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1k85 s ALA 626 Cb -0.14 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1k85 s ALA 626 CO -0.01 0.23 -0.02 -1.59 0.00 0.00 0.00 175.76 174.37 1k85 s LYS 627 N -1.74 0.19 0.43 0.00 0.00 -1.07 -1.92 119.74 115.63 1k85 s LYS 627 Ca 0.45 -0.33 0.05 0.00 0.00 0.00 0.00 55.97 56.14 1k85 s LYS 627 Cb -0.20 0.02 0.05 0.00 0.00 0.00 0.00 37.83 37.69 1k85 s LYS 627 CO 0.25 -0.01 0.40 -0.25 0.00 0.00 0.00 175.35 175.74 1k85 n ASP 628 N 2.30 2.16 -0.02 0.03 9.92 -0.30 -3.23 116.55 127.42 1k85 n ASP 628 Ca -0.18 -2.39 0.13 0.00 -0.53 0.00 0.00 54.79 51.82 1k85 n ASP 628 Cb 0.57 -0.11 0.41 0.00 -0.64 0.00 0.00 41.12 41.35 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 -2.22 3.05 1.25 2.24 0.00 -1.26 -3.44 120.51 120.13 1k85 n ALA 629 Ca -0.13 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.18 1k85 n ALA 629 Cb 0.48 -1.26 0.45 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.40 3.00 -0.59 0.00 0.00 -1.26 -4.91 120.51 115.34 1k85 n ALA 630 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1k85 n ALA 630 Cb 0.33 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.35 0.91 3.69 0.00 0.00 -1.22 -5.08 105.19 104.84 1k85 n GLY 631 Ca 0.12 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.45 5.09 0.02 1.61 0.02 -1.26 -4.96 114.94 113.01 1k85 s ASN 632 Ca 0.00 -0.11 0.01 0.00 -1.02 0.00 0.00 52.86 51.74 1k85 s ASN 632 Cb 0.00 -1.26 -0.02 0.00 0.02 0.00 0.00 41.25 39.99 1k85 s ASN 632 CO 0.00 0.21 -0.05 0.68 0.02 0.00 0.00 177.10 177.96 1k85 s VAL 633 N -1.23 0.32 0.00 1.60 -7.23 -1.26 -1.15 120.40 111.45 1k85 s VAL 633 Ca 0.24 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1k85 s VAL 633 Cb -0.12 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.45 1k85 s VAL 633 CO 0.16 -0.25 0.00 -0.24 -0.31 0.00 0.00 175.10 174.46 1k85 n SER 634 N 2.06 0.00 -4.91 4.85 2.88 -0.81 -4.68 113.62 113.02 1k85 n SER 634 Ca -0.19 -0.60 -0.28 0.00 -1.33 0.00 0.00 58.87 56.46 1k85 n SER 634 Cb 0.56 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.11 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 -3.42 2.79 0.13 -1.46 0.00 -1.26 -4.74 121.76 113.80 1k85 s ALA 635 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1k85 s ALA 635 Cb 0.00 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 1k85 s ALA 635 CO 0.00 -1.57 0.95 0.00 0.00 0.00 0.00 175.76 175.15 1k85 s ALA 636 N -3.49 3.26 1.15 0.00 0.00 -1.26 -4.55 121.76 116.88 1k85 s ALA 636 Ca 0.61 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 1k85 s ALA 636 Cb -0.11 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 19.92 1k85 s ALA 636 CO 0.48 0.02 0.57 0.45 0.00 0.00 0.00 175.76 177.28 1k85 n SER 637 N 2.55 -1.77 -4.77 0.00 2.88 -0.38 -4.95 113.62 107.17 1k85 n SER 637 Ca 0.01 -0.81 -0.40 0.00 -1.33 0.00 0.00 58.87 56.34 1k85 n SER 637 Cb 0.49 -0.54 0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1k85 s ASN 638 N -3.03 6.00 -0.17 -3.46 3.04 -1.26 -4.72 114.94 111.34 1k85 s ASN 638 Ca 0.38 2.87 -0.28 0.00 0.04 0.00 0.00 52.86 55.87 1k85 s ASN 638 Cb -0.04 -2.65 -0.01 0.00 -1.54 0.00 0.00 41.25 37.01 1k85 s ASN 638 CO 0.29 -1.09 0.95 0.00 -3.04 0.00 0.00 177.10 174.22 1k85 s ALA 639 N -1.21 3.53 -0.03 1.71 0.00 -1.26 -4.62 121.76 119.88 1k85 s ALA 639 Ca 0.60 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 1k85 s ALA 639 Cb -0.43 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1k85 s ALA 639 CO 0.55 -0.75 0.18 0.54 0.00 0.00 0.00 175.76 176.28 1k85 s VAL 640 N 2.42 5.44 -0.27 0.00 0.11 -0.66 -4.96 120.40 122.47 1k85 s VAL 640 Ca 0.43 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.48 1k85 s VAL 640 Cb -0.17 -3.51 0.06 0.00 -1.53 0.00 0.00 36.38 31.23 1k85 s VAL 640 CO 0.12 0.40 -0.08 -0.55 -3.33 0.00 0.00 175.10 171.66 1k85 s SER 641 N -1.69 4.55 -0.05 3.54 0.15 -1.26 -2.31 113.70 116.63 1k85 s SER 641 Ca 0.24 -1.39 0.04 0.00 0.70 0.00 0.00 55.95 55.54 1k85 s SER 641 Cb -0.13 -1.59 -0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1k85 s SER 641 CO 0.15 -0.21 -0.18 0.68 1.20 0.00 0.00 173.24 174.88 1k85 s VAL 642 N 1.13 1.55 -0.33 4.45 -7.23 -0.90 -5.02 120.40 114.05 1k85 s VAL 642 Ca -0.08 -0.77 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 1k85 s VAL 642 Cb -0.20 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 1k85 s VAL 642 CO -0.04 0.44 0.39 -0.54 -0.31 0.00 0.00 175.10 175.04 1k85 s LYS 643 N 0.11 3.64 0.00 4.82 1.02 -1.26 -2.28 119.74 125.79 1k85 s LYS 643 Ca -0.06 -0.30 0.30 0.00 0.02 0.00 0.00 55.97 55.92 1k85 s LYS 643 Cb -0.13 -3.78 1.47 0.00 -0.52 0.00 0.00 37.83 34.87 1k85 s LYS 643 CO 0.03 -0.51 1.98 0.25 -0.92 0.00 0.00 175.35 176.19