#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvx s LYS 702 N 0.00 3.71 0.02 0.03 1.02 -1.26 -4.73 119.74 118.53 2pvx s LYS 702 Ca 0.00 0.50 0.04 0.00 0.02 0.00 0.00 55.97 56.54 2pvx s LYS 702 Cb 0.00 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2pvx s LYS 702 CO 0.00 -0.20 -0.09 0.15 -0.92 0.00 0.00 175.35 174.29 2pvx s LYS 703 N -4.33 2.42 -0.05 1.68 1.02 -0.63 -1.09 119.74 118.77 2pvx s LYS 703 Ca 0.52 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.75 2pvx s LYS 703 Cb -0.10 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2pvx s LYS 703 CO 0.39 0.58 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.62 2pvx s TRP 704 N -1.01 1.93 -0.07 3.18 0.52 -0.02 -0.40 118.94 123.06 2pvx s TRP 704 Ca 0.17 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 55.77 2pvx s TRP 704 Cb -0.11 -1.28 -0.02 0.00 -1.15 0.00 0.00 33.47 30.91 2pvx s TRP 704 CO 0.08 -0.18 -0.18 0.54 0.02 0.00 0.00 176.95 177.24 2pvx s VAL 705 N -0.03 2.72 -0.13 4.03 0.11 -0.06 -0.76 120.40 126.27 2pvx s VAL 705 Ca -0.03 -0.83 -0.29 0.00 -2.93 0.00 0.00 61.98 57.90 2pvx s VAL 705 Cb -0.12 -2.06 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2pvx s VAL 705 CO 0.03 0.57 1.50 0.00 -3.33 0.00 0.00 175.10 173.86 2pvx n THR 707 N 5.65 0.00 -0.00 0.00 -2.24 -0.48 -0.90 114.28 116.31 2pvx n THR 707 Ca 0.16 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.69 2pvx n THR 707 Cb 0.44 -0.33 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 2pvx n THR 707 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pvx n VAL 708 N -0.88 1.77 -0.22 2.28 0.31 -1.26 -4.80 118.33 115.53 2pvx n VAL 708 Ca 0.21 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2pvx n VAL 708 Cb 0.17 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 2pvx n VAL 708 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pvx n GLY 710 N 0.20 0.81 3.68 0.00 0.00 -0.07 -5.03 105.19 104.77 2pvx n GLY 710 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2pvx n GLY 710 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pvx n TYR 711 N -2.10 1.97 -5.00 1.61 9.36 -1.26 -4.68 117.16 117.05 2pvx n TYR 711 Ca 0.00 0.53 -0.32 0.00 3.32 0.00 0.00 57.90 61.43 2pvx n TYR 711 Cb 0.00 -2.36 -0.15 0.00 -0.63 0.00 0.00 39.34 36.20 2pvx n TYR 711 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pvx s ILE 712 N -1.18 2.60 -0.28 2.97 1.01 -1.26 -0.52 121.20 124.54 2pvx s ILE 712 Ca 0.60 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 2pvx s ILE 712 Cb -0.54 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2pvx s ILE 712 CO 0.59 0.55 0.17 -0.47 0.00 0.00 0.00 174.94 175.78 2pvx s TYR 713 N 0.13 3.19 -0.33 3.97 5.04 0.06 -4.97 117.35 124.44 2pvx s TYR 713 Ca -0.09 -0.04 -0.10 0.00 -2.44 0.00 0.00 57.07 54.40 2pvx s TYR 713 Cb -0.16 -2.36 0.01 0.00 0.35 0.00 0.00 41.96 39.81 2pvx s TYR 713 CO 0.06 -0.23 0.16 0.34 -1.34 0.00 0.00 175.55 174.54 2pvx s ASP 714 N 1.72 5.55 0.36 4.32 2.15 -1.26 -0.84 116.67 128.67 2pvx s ASP 714 Ca 0.07 -0.74 0.03 0.00 0.43 0.00 0.00 52.55 52.34 2pvx s ASP 714 Cb -0.16 -1.99 0.66 0.00 -0.30 0.00 0.00 42.92 41.13 2pvx s ASP 714 CO 0.09 -0.27 2.02 -0.33 -0.17 0.00 0.00 175.17 176.51 2pvx h GLU 715 N 8.36 0.80 -0.38 4.34 5.08 -1.34 0.35 114.58 131.80 2pvx h GLU 715 Ca -0.29 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2pvx h GLU 715 Cb 1.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2pvx h GLU 715 CO 0.63 0.53 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.70 2pvx h ASP 716 N 0.83 0.69 0.82 1.42 3.32 -1.87 0.10 116.42 121.74 2pvx h ASP 716 Ca 0.22 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 2pvx h ASP 716 Cb -0.10 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2pvx h ASP 716 CO -0.05 0.85 -0.71 0.00 -1.72 0.00 0.00 179.24 177.62 2pvx h ALA 717 N 0.86 0.76 -0.95 3.45 0.00 -1.86 -2.16 119.26 119.35 2pvx h ALA 717 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2pvx h ALA 717 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pvx h ALA 717 CO 0.03 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2pvx n GLY 718 N 0.66 2.01 2.69 0.00 0.00 0.09 -3.85 105.19 106.79 2pvx n GLY 718 Ca -0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2pvx n GLY 718 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvx n ASP 719 N -0.67 -2.60 0.12 1.61 2.03 -0.39 -4.68 116.55 111.97 2pvx n ASP 719 Ca 0.00 -3.22 0.04 0.00 0.52 0.00 0.00 54.79 52.13 2pvx n ASP 719 Cb 0.00 1.56 0.46 0.00 -0.72 0.00 0.00 41.12 42.42 2pvx n ASP 719 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2pvx h PRO 720 N 4.06 0.27 -0.90 -0.67 0.13 -1.50 -0.98 132.00 132.42 2pvx h PRO 720 Ca -0.11 -0.04 0.14 0.00 -0.87 0.00 0.00 66.00 65.12 2pvx h PRO 720 Cb 1.02 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.03 2pvx h PRO 720 CO 0.33 0.28 0.58 -0.44 -0.23 0.00 0.00 178.00 178.51 2pvx h ASP 721 N 0.27 0.67 -0.58 1.44 3.45 -1.96 -1.61 116.42 118.10 2pvx h ASP 721 Ca 0.07 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.48 2pvx h ASP 721 Cb 0.15 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 38.78 2pvx h ASP 721 CO 0.00 0.34 0.10 0.59 -1.57 0.00 0.00 179.24 178.71 2pvx n ASN 722 N -4.57 5.02 0.00 6.45 5.03 -0.48 -4.93 115.26 121.79 2pvx n ASN 722 Ca 0.17 -3.09 0.00 0.00 0.87 0.00 0.00 54.58 52.53 2pvx n ASN 722 Cb 0.46 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 2pvx n ASN 722 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pvx n GLY 723 N 0.09 0.61 3.29 7.41 0.00 -0.61 -5.04 105.19 110.94 2pvx n GLY 723 Ca 0.32 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2pvx n GLY 723 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvx s ILE 724 N -2.00 3.59 0.65 -0.61 1.01 -0.58 -4.96 121.20 118.29 2pvx s ILE 724 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2pvx s ILE 724 Cb 0.00 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 2pvx s ILE 724 CO 0.00 0.10 1.16 -0.44 0.00 0.00 0.00 174.94 175.76 2pvx s SER 725 N 1.43 4.96 0.63 3.58 0.01 -1.26 -1.26 113.70 121.79 2pvx s SER 725 Ca 0.01 2.22 -0.18 0.00 1.31 0.00 0.00 55.95 59.31 2pvx s SER 725 Cb -0.17 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 2pvx s SER 725 CO 0.00 -1.74 1.15 -2.65 0.41 0.00 0.00 173.24 170.41 2pvx n PRO 726 N -2.13 1.02 -2.13 12.44 -0.02 -1.25 -3.16 135.00 139.75 2pvx n PRO 726 Ca 0.12 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.96 2pvx n PRO 726 Cb 0.51 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2pvx n PRO 726 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvx n GLY 727 N 1.09 0.23 3.53 -1.23 0.00 0.32 -4.85 105.19 104.28 2pvx n GLY 727 Ca 0.15 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 2pvx n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pvx s THR 728 N -2.28 4.85 0.59 2.61 2.01 -0.91 -4.96 115.64 117.54 2pvx s THR 728 Ca 0.01 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.84 2pvx s THR 728 Cb -0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2pvx s THR 728 CO 0.01 0.30 1.16 -0.54 -0.69 0.00 0.00 174.62 174.86 2pvx s LYS 729 N 1.60 3.07 0.37 4.92 1.02 -1.26 -4.50 119.74 124.94 2pvx s LYS 729 Ca 0.07 1.66 0.05 0.00 0.02 0.00 0.00 55.97 57.77 2pvx s LYS 729 Cb -0.15 -1.96 0.73 0.00 -0.52 0.00 0.00 37.83 35.93 2pvx s LYS 729 CO 0.07 -1.09 1.99 0.35 -0.92 0.00 0.00 175.35 175.75 2pvx h PHE 730 N 0.83 0.73 0.00 3.18 -0.00 -1.96 -0.63 116.94 119.08 2pvx h PHE 730 Ca -0.50 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2pvx h PHE 730 Cb 1.27 -0.24 -0.00 0.00 -0.00 0.00 0.00 35.95 36.98 2pvx h PHE 730 CO 0.50 0.42 -0.02 0.93 -0.00 0.00 0.00 178.31 180.13 2pvx h GLU 731 N 0.75 0.00 -0.01 1.11 3.07 -2.01 -2.87 114.58 114.61 2pvx h GLU 731 Ca 0.26 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.94 2pvx h GLU 731 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2pvx h GLU 731 CO -0.08 0.02 -0.80 1.49 -1.40 0.00 0.00 179.01 178.25 2pvx h GLU 732 N 0.00 0.16 -7.10 2.33 4.22 -1.47 -3.46 114.58 109.26 2pvx h GLU 732 Ca -0.00 -0.16 -0.56 0.00 0.08 0.00 0.00 59.36 58.72 2pvx h GLU 732 Cb 0.07 0.04 0.16 0.00 0.50 0.00 0.00 28.75 29.52 2pvx h GLU 732 CO 0.00 0.87 0.48 1.28 -2.18 0.00 0.00 179.01 179.46 2pvx n LEU 733 N -3.69 5.79 -4.57 1.64 4.77 -1.09 -4.88 117.00 114.97 2pvx n LEU 733 Ca -0.03 0.81 -0.38 0.00 -0.03 0.00 0.00 56.01 56.38 2pvx n LEU 733 Cb 0.75 -1.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.35 2pvx n LEU 733 CO 0.46 -1.11 0.41 -2.65 -1.33 0.00 0.00 177.39 173.18 2pvx n PRO 734 N -1.98 0.80 0.28 3.23 -0.02 -1.26 -4.85 135.00 131.20 2pvx n PRO 734 Ca 0.16 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2pvx n PRO 734 Cb 0.48 -2.03 0.79 0.00 -0.02 0.00 0.00 33.50 32.72 2pvx n PRO 734 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pvx h ASP 735 N 0.45 0.00 -0.38 2.55 3.45 -1.94 -1.21 116.42 119.34 2pvx h ASP 735 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2pvx h ASP 735 Cb 1.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.14 2pvx h ASP 735 CO 0.50 0.04 0.00 -0.90 -1.57 0.00 0.00 179.24 177.31 2pvx n ASP 736 N -3.99 2.67 -4.74 6.45 3.85 -1.26 -4.92 116.55 114.61 2pvx n ASP 736 Ca -0.03 -1.91 -0.42 0.00 -0.71 0.00 0.00 54.79 51.72 2pvx n ASP 736 Cb 0.13 -0.25 -0.00 0.00 -1.35 0.00 0.00 41.12 39.64 2pvx n ASP 736 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.20 178.06 2pvx n TRP 737 N 0.97 2.69 -4.25 2.11 -0.00 -0.46 -5.02 117.44 113.48 2pvx n TRP 737 Ca 0.18 0.48 -0.14 0.00 -0.00 0.00 0.00 57.50 58.02 2pvx n TRP 737 Cb 0.46 -2.49 -0.10 0.00 -0.00 0.00 0.00 31.31 29.18 2pvx n TRP 737 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 2pvx s VAL 738 N -1.03 0.96 -0.03 5.87 -7.23 -1.26 -4.37 120.40 113.30 2pvx s VAL 738 Ca 0.55 -2.02 -0.36 0.00 -1.81 0.00 0.00 61.98 58.34 2pvx s VAL 738 Cb -0.52 -1.96 -0.14 0.00 0.56 0.00 0.00 36.38 34.32 2pvx s VAL 738 CO 0.62 -0.64 1.68 0.00 -0.31 0.00 0.00 175.10 176.45 2pvx h PRO 740 N 7.12 0.00 0.00 0.00 0.11 -1.96 -0.11 132.00 137.17 2pvx h PRO 740 Ca -0.47 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.25 2pvx h PRO 740 Cb 1.29 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 2pvx h PRO 740 CO 0.91 0.02 -2.45 1.28 -0.21 0.00 0.00 178.00 177.54 2pvx n LEU 741 N -3.49 2.70 -0.01 2.35 4.77 -1.26 -4.74 117.00 117.33 2pvx n LEU 741 Ca -0.03 -0.11 0.01 0.00 -0.03 0.00 0.00 56.01 55.85 2pvx n LEU 741 Cb 0.12 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 2pvx n LEU 741 CO 0.25 0.90 0.02 0.00 -1.33 0.00 0.00 177.39 177.23 2pvx n GLY 743 N 0.94 0.86 3.82 0.00 0.00 -0.06 -4.97 105.19 105.78 2pvx n GLY 743 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2pvx n GLY 743 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pvx s VAL 744 N -3.39 3.90 0.92 1.61 -7.23 -1.26 -4.49 120.40 110.47 2pvx s VAL 744 Ca 0.00 0.62 -0.14 0.00 -1.81 0.00 0.00 61.98 60.65 2pvx s VAL 744 Cb 0.00 -3.35 0.19 0.00 0.56 0.00 0.00 36.38 33.77 2pvx s VAL 744 CO 0.00 -0.81 1.27 -0.83 -0.31 0.00 0.00 175.10 174.42 2pvx s GLY 745 N -3.80 1.78 0.56 2.32 0.00 -1.26 -0.39 107.32 106.53 2pvx s GLY 745 Ca 0.58 -1.29 0.26 0.00 0.00 0.00 0.00 44.72 44.27 2pvx s GLY 745 CO 0.55 -0.55 2.19 0.50 0.00 0.00 0.00 173.10 175.79 2pvx h LYS 746 N -1.46 0.00 0.00 2.90 1.57 -1.93 -2.33 116.57 115.32 2pvx h LYS 746 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2pvx h LYS 746 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2pvx h LYS 746 CO 0.38 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 178.90 2pvx n ASP 747 N -3.96 0.00 -1.22 0.86 5.75 -1.26 -1.49 116.55 115.23 2pvx n ASP 747 Ca -0.03 0.47 0.11 0.00 -0.01 0.00 0.00 54.79 55.34 2pvx n ASP 747 Cb 0.12 -0.49 0.28 0.00 -1.03 0.00 0.00 41.12 40.01 2pvx n ASP 747 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pvx n GLN 748 N -1.49 2.56 -3.67 0.11 1.13 -0.88 -4.93 117.38 110.21 2pvx n GLN 748 Ca 0.03 -2.39 -0.27 0.00 -1.94 0.00 0.00 57.00 52.43 2pvx n GLN 748 Cb 0.14 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 2pvx n GLN 748 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2pvx s PHE 749 N -1.24 3.48 0.10 1.08 0.40 -0.55 -1.38 117.98 119.87 2pvx s PHE 749 Ca 0.44 0.33 0.03 0.00 -0.60 0.00 0.00 56.93 57.12 2pvx s PHE 749 Cb 0.24 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2pvx s PHE 749 CO 0.32 0.35 -0.08 -1.83 0.70 0.00 0.00 175.22 174.68 2pvx s GLU 750 N -3.45 0.86 0.10 0.44 -1.05 -0.39 -4.92 118.70 110.28 2pvx s GLU 750 Ca 0.38 -1.29 -0.31 0.00 -0.15 0.00 0.00 54.97 53.61 2pvx s GLU 750 Cb -0.11 -0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.16 2pvx s GLU 750 CO 0.30 0.02 1.45 0.21 0.95 0.00 0.00 175.26 178.19 2pvx s LYS 751 N -3.49 4.28 -0.19 -4.83 2.20 -1.26 -0.88 119.74 115.58 2pvx s LYS 751 Ca 0.10 2.13 -0.19 0.00 -0.36 0.00 0.00 55.97 57.66 2pvx s LYS 751 Cb 0.02 -3.33 -0.21 0.00 -1.51 0.00 0.00 37.83 32.80 2pvx s LYS 751 CO -0.03 -0.53 0.28 1.25 -0.36 0.00 0.00 175.35 175.97 2pvx h LEU 752 N 7.29 0.09 -7.31 5.43 5.85 -1.05 -3.46 115.31 122.16 2pvx h LEU 752 Ca -0.42 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 57.62 2pvx h LEU 752 Cb 1.20 -0.03 -0.16 0.00 0.37 0.00 0.00 40.66 42.04 2pvx h LEU 752 CO 0.89 1.55 -0.04 -1.83 -0.34 0.00 0.00 178.44 178.66 2pvx s GLU 753 N -2.40 0.98 0.00 1.25 -1.05 -1.06 -4.97 118.70 111.45 2pvx s GLU 753 Ca -0.27 -0.35 0.31 0.00 -0.15 0.00 0.00 54.97 54.51 2pvx s GLU 753 Cb 0.06 0.44 1.75 0.00 -0.44 0.00 0.00 34.13 35.94 2pvx s GLU 753 CO 0.64 -0.35 2.14 -0.25 0.95 0.00 0.00 175.26 178.38