#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7r n ASP 624 N 0.00 2.03 -0.17 6.12 9.92 -1.26 -3.14 116.55 130.05 2x7r n ASP 624 Ca 0.00 -0.01 0.25 0.00 -0.53 0.00 0.00 54.79 54.50 2x7r n ASP 624 Cb 0.00 -0.58 0.66 0.00 -0.64 0.00 0.00 41.12 40.56 2x7r n ASP 624 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2x7r h ASP 625 N 0.01 0.11 -0.28 -2.24 3.32 -2.05 1.38 116.42 116.68 2x7r h ASP 625 Ca -0.52 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 2x7r h ASP 625 Cb 1.94 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.47 2x7r h ASP 625 CO -0.03 0.04 0.02 0.44 -1.72 0.00 0.00 179.24 178.00 2x7r h ASP 626 N 0.11 0.46 -0.68 6.45 3.32 -2.00 -1.41 116.42 122.68 2x7r h ASP 626 Ca 0.41 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2x7r h ASP 626 Cb 1.47 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 2x7r h ASP 626 CO -0.05 0.64 0.36 0.44 -1.72 0.00 0.00 179.24 178.91 2x7r h ASP 627 N 0.28 0.86 0.70 6.45 3.32 0.13 -0.93 116.42 127.23 2x7r h ASP 627 Ca 0.08 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2x7r h ASP 627 Cb 0.39 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2x7r h ASP 627 CO 0.01 0.71 -0.29 0.50 -1.72 0.00 0.00 179.24 178.46 2x7r h LYS 628 N 0.93 0.00 0.04 3.56 1.63 0.14 -1.53 116.57 121.35 2x7r h LYS 628 Ca 0.24 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.76 2x7r h LYS 628 Cb 0.05 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 2x7r h LYS 628 CO -0.04 0.29 -1.50 0.52 -3.45 0.00 0.00 179.45 175.27 2x7r h MET 629 N 0.00 0.09 -0.07 1.90 2.86 -1.04 -2.82 114.93 115.85 2x7r h MET 629 Ca -0.00 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 2x7r h MET 629 Cb 0.71 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2x7r h MET 629 CO 0.04 0.85 -0.41 1.49 1.06 0.00 0.00 176.91 179.94 2x7r h GLU 630 N 0.03 0.16 0.12 1.72 4.57 -0.91 -2.19 114.58 118.08 2x7r h GLU 630 Ca -0.22 -0.07 -0.30 0.00 -1.18 0.00 0.00 59.36 57.60 2x7r h GLU 630 Cb 1.96 -0.00 0.03 0.00 -0.16 0.00 0.00 28.75 30.57 2x7r h GLU 630 CO 0.12 0.54 -1.25 2.35 -1.18 0.00 0.00 179.01 179.59 2x7r h TRP 631 N 0.13 0.93 -0.69 0.92 7.01 -1.34 -2.71 115.95 120.20 2x7r h TRP 631 Ca 0.01 -0.60 -0.03 0.00 2.11 0.00 0.00 58.89 60.38 2x7r h TRP 631 Cb 0.78 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 2x7r h TRP 631 CO 0.01 1.44 0.30 -0.44 -2.79 0.00 0.00 178.44 176.96 2x7r h ASP 632 N 0.24 0.93 -0.51 2.65 3.32 -1.47 -1.30 116.42 120.28 2x7r h ASP 632 Ca -0.18 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 56.77 2x7r h ASP 632 Cb 1.92 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 41.18 2x7r h ASP 632 CO 0.23 0.83 0.23 -0.09 -1.72 0.00 0.00 179.24 178.72 2x7r h ARG 633 N 0.97 0.43 0.02 3.56 1.12 -1.35 -0.46 114.38 118.67 2x7r h ARG 633 Ca 0.23 -0.03 -0.23 0.00 -1.11 0.00 0.00 59.98 58.85 2x7r h ARG 633 Cb 0.17 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2x7r h ARG 633 CO -0.02 0.28 -0.97 0.93 -3.11 0.00 0.00 179.97 177.07 2x7r h GLU 634 N 0.44 0.35 -0.12 0.20 5.08 -1.40 0.11 114.58 119.24 2x7r h GLU 634 Ca 0.23 -0.40 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2x7r h GLU 634 Cb 0.19 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2x7r h GLU 634 CO -0.20 1.09 -0.33 0.82 -1.00 0.00 0.00 179.01 179.40 2x7r h ILE 635 N 0.18 0.28 0.10 3.13 1.08 -0.96 -1.19 117.51 120.14 2x7r h ILE 635 Ca -0.08 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 2x7r h ILE 635 Cb 1.62 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 2x7r h ILE 635 CO 0.16 0.00 -0.14 0.78 -0.69 0.00 0.00 178.15 178.27 2x7r h ASN 636 N -0.41 -0.37 -0.60 1.72 2.35 -0.91 0.14 115.58 117.50 2x7r h ASN 636 Ca 0.09 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 2x7r h ASN 636 Cb 0.55 0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 2x7r h ASN 636 CO -0.35 -0.20 0.15 0.78 -1.65 0.00 0.00 177.43 176.16 2x7r h ASN 637 N -0.28 0.06 -0.09 5.81 -0.26 -0.87 -0.85 115.58 119.10 2x7r h ASN 637 Ca 0.02 0.10 -0.09 0.00 -0.56 0.00 0.00 56.30 55.76 2x7r h ASN 637 Cb 0.28 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2x7r h ASN 637 CO -0.06 0.04 -0.31 1.88 -1.06 0.00 0.00 177.43 177.92 2x7r h TYR 638 N 0.30 0.49 -0.46 1.19 0.05 -0.92 -2.68 116.97 114.93 2x7r h TYR 638 Ca 0.31 -0.20 0.09 0.00 0.05 0.00 0.00 58.73 58.98 2x7r h TYR 638 Cb 0.44 -0.08 -0.10 0.00 1.01 0.00 0.00 36.73 38.01 2x7r h TYR 638 CO -0.22 0.92 -0.32 1.15 -1.05 0.00 0.00 178.16 178.64 2x7r h THR 639 N -0.09 0.23 -0.22 -2.88 2.02 -0.43 -0.33 112.91 111.20 2x7r h THR 639 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 2x7r h THR 639 Cb 0.94 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2x7r h THR 639 CO 0.07 0.00 0.00 0.28 0.37 0.00 0.00 175.52 176.24 2x7r h SER 640 N -0.21 -0.08 -0.27 4.18 0.02 -1.19 -2.32 113.55 113.68 2x7r h SER 640 Ca 0.19 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 2x7r h SER 640 Cb 0.53 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2x7r h SER 640 CO -0.58 -0.01 -0.08 0.25 -1.14 0.00 0.00 176.83 175.27 2x7r h LEU 641 N 0.07 -0.28 0.32 5.07 5.85 -1.09 -2.14 115.31 123.11 2x7r h LEU 641 Ca 0.11 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2x7r h LEU 641 Cb 0.13 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2x7r h LEU 641 CO -0.18 -0.10 -0.26 0.40 -0.34 0.00 0.00 178.44 177.96 2x7r h ILE 642 N -0.02 0.45 -0.68 4.05 2.04 -0.75 0.35 117.51 122.95 2x7r h ILE 642 Ca 0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 2x7r h ILE 642 Cb 0.22 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2x7r h ILE 642 CO -0.29 0.00 0.45 0.45 0.00 0.00 0.00 178.15 178.76 2x7r h HIS 643 N -0.59 0.68 -0.37 1.37 3.86 -1.39 0.71 115.15 119.43 2x7r h HIS 643 Ca -0.02 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 2x7r h HIS 643 Cb 0.52 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 2x7r h HIS 643 CO -0.14 0.36 -0.34 0.77 0.86 0.00 0.00 177.93 179.44 2x7r h SER 644 N 0.67 0.87 -0.48 2.45 0.02 -0.99 0.44 113.55 116.53 2x7r h SER 644 Ca 0.29 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2x7r h SER 644 Cb 0.30 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2x7r h SER 644 CO -0.09 1.12 0.09 -0.07 -1.14 0.00 0.00 176.83 176.74 2x7r h LEU 645 N 0.69 0.75 -0.04 5.07 3.38 0.14 -1.47 115.31 123.83 2x7r h LEU 645 Ca 0.07 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2x7r h LEU 645 Cb 0.89 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2x7r h LEU 645 CO 0.08 0.81 -0.07 0.40 0.09 0.00 0.00 178.44 179.75 2x7r h ILE 646 N 0.66 0.82 -0.51 1.22 2.04 0.50 0.36 117.51 122.60 2x7r h ILE 646 Ca 0.15 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 2x7r h ILE 646 Cb 0.37 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 2x7r h ILE 646 CO 0.01 0.00 -0.15 -0.08 0.00 0.00 0.00 178.15 177.92 2x7r h GLU 647 N -0.10 -0.03 -0.32 2.37 4.81 -0.90 0.21 114.58 120.63 2x7r h GLU 647 Ca 0.04 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2x7r h GLU 647 Cb 0.16 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2x7r h GLU 647 CO -0.10 -0.02 0.00 1.49 -0.73 0.00 0.00 179.01 179.65 2x7r h GLU 648 N -0.03 0.48 -0.28 1.92 4.81 -0.78 -0.24 114.58 120.46 2x7r h GLU 648 Ca 0.24 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 2x7r h GLU 648 Cb 0.40 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2x7r h GLU 648 CO -0.54 0.51 -0.26 0.77 -0.73 0.00 0.00 179.01 178.76 2x7r h SER 649 N 0.47 0.72 -0.75 1.04 0.02 0.14 0.15 113.55 115.34 2x7r h SER 649 Ca 0.10 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 2x7r h SER 649 Cb 0.30 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2x7r h SER 649 CO 0.01 1.03 0.39 1.56 -1.14 0.00 0.00 176.83 178.68 2x7r h GLN 650 N 0.41 1.06 -0.69 3.45 4.20 -0.15 0.38 115.11 123.76 2x7r h GLN 650 Ca 0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2x7r h GLN 650 Cb 0.82 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2x7r h GLN 650 CO 0.07 0.80 0.39 -0.91 -0.67 0.00 0.00 178.83 178.51 2x7r h ASN 651 N 1.04 0.85 -0.07 1.46 2.35 -0.90 -1.51 115.58 118.81 2x7r h ASN 651 Ca 0.26 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 2x7r h ASN 651 Cb 0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2x7r h ASN 651 CO -0.04 0.69 -0.37 -0.61 -1.65 0.00 0.00 177.43 175.45 2x7r h GLN 652 N 0.95 0.57 -0.17 0.81 5.75 -0.09 -1.86 115.11 121.07 2x7r h GLN 652 Ca 0.24 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2x7r h GLN 652 Cb 0.02 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 2x7r h GLN 652 CO -0.04 0.86 0.08 0.37 -2.65 0.00 0.00 178.83 177.45 2x7r h GLN 653 N 0.48 0.25 -0.25 1.69 5.75 0.01 -0.28 115.11 122.76 2x7r h GLN 653 Ca 0.05 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 2x7r h GLN 653 Cb 0.87 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.31 2x7r h GLN 653 CO 0.07 0.29 -0.21 0.93 -2.65 0.00 0.00 178.83 177.27 2x7r h GLU 654 N 0.14 -0.20 -0.72 1.69 5.08 -1.04 -0.79 114.58 118.74 2x7r h GLU 654 Ca 0.06 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2x7r h GLU 654 Cb 0.13 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2x7r h GLU 654 CO -0.01 -0.13 0.41 -0.22 -1.00 0.00 0.00 179.01 178.06 2x7r h LYS 655 N -0.20 0.99 -0.08 2.33 3.64 -1.14 -2.03 116.57 120.08 2x7r h LYS 655 Ca 0.14 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2x7r h LYS 655 Cb 0.42 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2x7r h LYS 655 CO -0.37 0.73 0.05 -0.91 -2.27 0.00 0.00 179.45 176.68 2x7r h ASN 656 N 0.99 0.09 0.20 4.20 2.35 -0.49 -1.87 115.58 121.05 2x7r h ASN 656 Ca 0.25 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2x7r h ASN 656 Cb 0.01 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2x7r h ASN 656 CO -0.04 0.10 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.38 2x7r h GLU 657 N 0.08 0.00 -0.54 0.81 5.08 -1.00 -1.69 114.58 117.33 2x7r h GLU 657 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2x7r h GLU 657 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2x7r h GLU 657 CO -0.01 0.12 -0.12 0.37 -1.00 0.00 0.00 179.01 178.37 2x7r h GLN 658 N 0.00 1.03 0.00 2.33 4.15 -0.61 -2.61 115.11 119.40 2x7r h GLN 658 Ca -0.00 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2x7r h GLN 658 Cb 0.26 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2x7r h GLN 658 CO 0.02 1.07 -0.57 0.93 -1.93 0.00 0.00 178.83 178.35 2x7r h GLU 659 N 0.91 0.00 -0.20 1.69 5.08 -0.89 0.27 114.58 121.44 2x7r h GLU 659 Ca 0.14 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.30 2x7r h GLU 659 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2x7r h GLU 659 CO 0.05 0.00 -0.66 1.25 -1.00 0.00 0.00 179.01 178.66 2x7r h LEU 660 N 0.00 0.86 -0.09 1.33 5.85 -1.30 -1.79 115.31 120.18 2x7r h LEU 660 Ca 0.00 -0.51 -0.25 0.00 0.84 0.00 0.00 57.88 57.96 2x7r h LEU 660 Cb 0.94 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.73 2x7r h LEU 660 CO 0.00 1.29 -0.97 0.25 -0.34 0.00 0.00 178.44 178.67 2x7r h LEU 661 N 0.54 0.81 -0.90 2.25 5.85 -1.21 0.68 115.31 123.32 2x7r h LEU 661 Ca -0.02 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 2x7r h LEU 661 Cb 1.26 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2x7r h LEU 661 CO 0.13 1.42 0.00 -0.08 -0.34 0.00 0.00 178.44 179.58 2x7r h GLU 662 N 0.37 0.81 0.72 1.25 4.81 -1.00 -2.35 114.58 119.19 2x7r h GLU 662 Ca -0.10 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2x7r h GLU 662 Cb 1.61 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 2x7r h GLU 662 CO 0.18 0.81 -0.48 1.25 -0.73 0.00 0.00 179.01 180.05 2x7r h LEU 663 N 0.76 -1.22 -0.59 1.64 5.85 -1.21 -2.28 115.31 118.26 2x7r h LEU 663 Ca 0.15 0.07 0.14 0.00 0.84 0.00 0.00 57.88 59.08 2x7r h LEU 663 Cb 0.45 0.36 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 2x7r h LEU 663 CO 0.02 -0.72 -0.08 -0.67 -0.34 0.00 0.00 178.44 176.65 2x7r n ASP 664 N -5.60 -0.15 0.00 1.25 2.03 0.22 -5.09 116.55 109.21 2x7r n ASP 664 Ca -0.14 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.18 2x7r n ASP 664 Cb 0.48 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2x7r n ASP 664 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57