#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmz h GLU 686 N 0.00 1.04 -6.37 0.54 5.08 -2.01 -3.48 114.58 109.38 2rmz h GLU 686 Ca 0.00 -0.26 -0.34 0.00 -1.00 0.00 0.00 59.36 57.76 2rmz h GLU 686 Cb 0.00 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.13 2rmz h GLU 686 CO 0.00 0.94 -1.09 0.43 -1.00 0.00 0.00 179.01 178.29 2rmz n SER 687 N -4.23 -5.85 -0.35 1.42 7.64 -1.26 -4.82 113.62 106.17 2rmz n SER 687 Ca 0.04 -0.10 0.09 0.00 1.01 0.00 0.00 58.87 59.91 2rmz n SER 687 Cb 0.27 -2.24 0.27 0.00 -1.01 0.00 0.00 64.21 61.51 2rmz n SER 687 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2rmz h PRO 688 N 1.93 0.89 -3.59 1.43 0.11 -1.96 -3.43 132.00 127.38 2rmz h PRO 688 Ca -0.49 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.41 2rmz h PRO 688 Cb 1.35 -0.20 -0.22 0.00 0.11 0.00 0.00 31.00 32.04 2rmz h PRO 688 CO 0.23 0.59 -0.55 -1.59 -0.21 0.00 0.00 178.00 176.48 2rmz s LYS 689 N -5.91 0.39 0.27 1.05 -2.85 -1.26 -5.12 119.74 106.31 2rmz s LYS 689 Ca -0.12 -0.34 0.00 0.00 -1.00 0.00 0.00 55.97 54.51 2rmz s LYS 689 Cb 0.23 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 2rmz s LYS 689 CO 0.81 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.58 2rmz n GLY 690 N 1.75 -0.36 0.34 0.59 0.00 -1.26 -3.74 105.19 102.51 2rmz n GLY 690 Ca -0.21 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.64 2rmz n GLY 690 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rmz h PRO 691 N 0.00 0.76 -4.03 1.61 0.11 -2.00 -3.46 132.00 124.99 2rmz h PRO 691 Ca 0.00 -0.05 -0.33 0.00 0.11 0.00 0.00 66.00 65.73 2rmz h PRO 691 Cb 0.18 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2rmz h PRO 691 CO 0.00 0.51 -0.46 -0.25 -0.21 0.00 0.00 178.00 177.59 2rmz n ASP 692 N -4.76 -4.71 -0.18 -2.05 8.00 -1.25 -4.84 116.55 106.77 2rmz n ASP 692 Ca 0.20 -0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 2rmz n ASP 692 Cb 0.48 -3.92 0.01 0.00 -0.02 0.00 0.00 41.12 37.66 2rmz n ASP 692 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2rmz h ILE 693 N -0.40 1.27 -0.68 0.53 2.10 -1.93 -2.61 117.51 115.78 2rmz h ILE 693 Ca -0.40 -1.25 -0.01 0.00 1.08 0.00 0.00 64.86 64.27 2rmz h ILE 693 Cb 1.29 1.00 -0.03 0.00 -1.09 0.00 0.00 36.82 37.98 2rmz h ILE 693 CO 0.47 0.44 0.38 -0.07 -1.08 0.00 0.00 178.15 178.29 2rmz h LEU 694 N 0.87 0.85 -0.64 2.19 3.38 -1.99 -0.05 115.31 119.92 2rmz h LEU 694 Ca 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2rmz h LEU 694 Cb 0.67 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2rmz h LEU 694 CO 0.05 0.69 0.27 0.58 0.09 0.00 0.00 178.44 180.12 2rmz h VAL 695 N 0.94 1.23 -0.33 1.22 2.07 -1.93 -1.84 116.25 117.62 2rmz h VAL 695 Ca 0.24 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 2rmz h VAL 695 Cb 0.03 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2rmz h VAL 695 CO -0.04 0.28 0.01 0.58 0.02 0.00 0.00 177.57 178.42 2rmz h VAL 696 N 0.89 1.26 -0.64 2.57 2.07 -1.10 -1.47 116.25 119.82 2rmz h VAL 696 Ca 0.21 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2rmz h VAL 696 Cb 0.18 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2rmz h VAL 696 CO -0.02 0.31 0.36 -0.07 0.02 0.00 0.00 177.57 178.17 2rmz h LEU 697 N 0.39 0.80 -0.50 2.57 3.38 -0.86 -1.30 115.31 119.78 2rmz h LEU 697 Ca 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2rmz h LEU 697 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2rmz h LEU 697 CO 0.02 0.66 0.23 -0.07 0.09 0.00 0.00 178.44 179.37 2rmz h LEU 698 N 0.88 0.67 -0.32 1.67 3.38 -1.24 -0.52 115.31 119.82 2rmz h LEU 698 Ca 0.23 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2rmz h LEU 698 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2rmz h LEU 698 CO -0.04 0.62 0.18 0.28 0.09 0.00 0.00 178.44 179.58 2rmz h SER 699 N 0.67 0.29 -0.42 -0.43 0.02 -0.88 0.27 113.55 113.07 2rmz h SER 699 Ca 0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2rmz h SER 699 Cb 0.14 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2rmz h SER 699 CO -0.02 0.21 0.13 0.58 -1.14 0.00 0.00 176.83 176.59 2rmz h VAL 700 N 0.37 1.22 -0.70 2.27 2.07 -1.06 -2.22 116.25 118.20 2rmz h VAL 700 Ca 0.13 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2rmz h VAL 700 Cb 0.01 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2rmz h VAL 700 CO -0.06 0.26 0.28 0.24 0.02 0.00 0.00 177.57 178.31 2rmz h MET 701 N 0.53 1.04 -0.67 1.57 2.07 -0.76 -2.54 114.93 116.17 2rmz h MET 701 Ca 0.13 -0.18 -0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2rmz h MET 701 Cb 0.27 -0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 2rmz h MET 701 CO -0.00 0.84 0.41 0.78 1.07 0.00 0.00 176.91 180.01 2rmz h GLY 702 N 1.08 0.96 0.83 8.32 0.00 -0.18 -2.28 103.07 111.79 2rmz h GLY 702 Ca 0.24 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.24 2rmz h GLY 702 CO -0.02 0.37 0.64 0.00 0.00 0.00 0.00 176.54 177.53 2rmz h ALA 703 N 1.22 1.40 -0.44 3.60 0.00 -0.99 -1.47 119.26 122.58 2rmz h ALA 703 Ca 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2rmz h ALA 703 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2rmz h ALA 703 CO -0.05 0.47 0.17 0.82 0.00 0.00 0.00 179.25 180.66 2rmz h ILE 704 N 1.18 1.20 -0.59 0.00 2.04 -1.18 -2.45 117.51 117.71 2rmz h ILE 704 Ca 0.41 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2rmz h ILE 704 Cb 0.11 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2rmz h ILE 704 CO -0.15 0.23 0.21 -0.07 0.00 0.00 0.00 178.15 178.37 2rmz h LEU 705 N 0.56 0.85 -0.63 1.44 4.07 -1.00 -1.80 115.31 118.80 2rmz h LEU 705 Ca 0.14 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 2rmz h LEU 705 Cb 0.20 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 2rmz h LEU 705 CO -0.01 0.81 0.24 -0.07 -1.08 0.00 0.00 178.44 178.33 2rmz h LEU 706 N 0.83 0.87 -0.42 1.67 3.38 -1.16 -1.84 115.31 118.65 2rmz h LEU 706 Ca 0.19 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 2rmz h LEU 706 Cb 0.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2rmz h LEU 706 CO -0.01 0.81 -0.46 -0.29 0.09 0.00 0.00 178.44 178.58 2rmz h ILE 707 N 0.88 1.28 -0.53 1.22 2.10 -1.39 -2.58 117.51 118.50 2rmz h ILE 707 Ca 0.21 -1.65 -0.01 0.00 1.08 0.00 0.00 64.86 64.49 2rmz h ILE 707 Cb 0.22 1.54 -0.03 0.00 -1.09 0.00 0.00 36.82 37.46 2rmz h ILE 707 CO -0.02 0.54 0.31 1.23 -1.08 0.00 0.00 178.15 179.13 2rmz h GLY 708 N 0.83 0.77 0.98 8.18 0.00 -1.16 -1.22 103.07 111.45 2rmz h GLY 708 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2rmz h GLY 708 CO 0.10 0.32 0.22 1.41 0.00 0.00 0.00 176.54 178.59 2rmz h LEU 709 N 0.70 0.71 -0.86 3.11 3.38 -1.31 -2.02 115.31 119.03 2rmz h LEU 709 Ca 0.19 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2rmz h LEU 709 Cb 0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2rmz h LEU 709 CO -0.03 0.67 0.55 0.00 0.09 0.00 0.00 178.44 179.72 2rmz h ALA 710 N 1.06 1.14 -0.68 1.53 0.00 -1.11 -1.93 119.26 119.27 2rmz h ALA 710 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2rmz h ALA 710 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2rmz h ALA 710 CO -0.02 0.37 0.22 0.00 0.00 0.00 0.00 179.25 179.83 2rmz h ALA 711 N 1.36 0.89 -0.75 0.00 0.00 -0.90 -1.87 119.26 117.99 2rmz h ALA 711 Ca 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2rmz h ALA 711 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2rmz h ALA 711 CO -0.13 0.56 0.30 -0.07 0.00 0.00 0.00 179.25 179.91 2rmz h LEU 712 N 0.99 1.03 -0.46 0.00 3.38 -0.77 -1.52 115.31 117.96 2rmz h LEU 712 Ca 0.22 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2rmz h LEU 712 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2rmz h LEU 712 CO -0.01 0.92 -0.30 -0.07 0.09 0.00 0.00 178.44 179.08 2rmz h LEU 713 N 1.08 1.01 -0.60 1.67 3.38 -1.19 -2.23 115.31 118.43 2rmz h LEU 713 Ca 0.25 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2rmz h LEU 713 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2rmz h LEU 713 CO -0.02 1.22 0.30 0.40 0.09 0.00 0.00 178.44 180.43 2rmz h ILE 714 N 0.81 1.21 -0.20 1.22 2.04 -1.15 -0.32 117.51 121.11 2rmz h ILE 714 Ca 0.09 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.39 2rmz h ILE 714 Cb 0.88 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2rmz h ILE 714 CO 0.08 0.23 0.10 -0.25 0.00 0.00 0.00 178.15 178.32 2rmz h TRP 715 N 0.81 0.19 -0.61 1.37 7.01 -1.17 -1.62 115.95 121.94 2rmz h TRP 715 Ca 0.21 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.22 2rmz h TRP 715 Cb 0.10 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 2rmz h TRP 715 CO -0.00 0.11 0.40 -0.22 -2.79 0.00 0.00 178.44 175.94 2rmz h LYS 716 N 0.22 0.79 -0.67 2.65 1.63 -1.01 -1.33 116.57 118.85 2rmz h LYS 716 Ca 0.08 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2rmz h LYS 716 Cb 0.01 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.43 2rmz h LYS 716 CO -0.05 0.52 0.35 1.25 -3.45 0.00 0.00 179.45 178.07 2rmz h LEU 717 N 0.81 0.86 -0.69 5.20 5.85 -0.80 -1.89 115.31 124.65 2rmz h LEU 717 Ca 0.23 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2rmz h LEU 717 Cb -0.08 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 2rmz h LEU 717 CO -0.06 0.73 0.22 -0.07 -0.34 0.00 0.00 178.44 178.92 2rmz h LEU 718 N 0.92 1.00 -0.73 2.25 3.38 -0.96 -2.36 115.31 118.82 2rmz h LEU 718 Ca 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2rmz h LEU 718 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2rmz h LEU 718 CO -0.03 0.94 0.36 0.40 0.09 0.00 0.00 178.44 180.20 2rmz h ILE 719 N 1.01 1.23 -0.88 1.22 2.04 -0.92 -2.17 117.51 119.04 2rmz h ILE 719 Ca 0.22 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2rmz h ILE 719 Cb 0.29 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 2rmz h ILE 719 CO -0.01 0.27 0.46 0.74 0.00 0.00 0.00 178.15 179.61 2rmz h THR 720 N 1.01 1.26 -0.81 -0.27 2.02 -1.12 -2.76 112.91 112.25 2rmz h THR 720 Ca 0.25 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2rmz h THR 720 Cb 0.10 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 2rmz h THR 720 CO -0.03 0.30 0.37 0.40 0.37 0.00 0.00 175.52 176.93 2rmz h ILE 721 N 1.24 1.26 -0.37 3.11 2.04 -0.90 -2.87 117.51 121.02 2rmz h ILE 721 Ca 0.31 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.49 2rmz h ILE 721 Cb 0.06 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.33 2rmz h ILE 721 CO -0.05 0.31 -0.03 0.45 0.00 0.00 0.00 178.15 178.84 2rmz h HIS 722 N 1.15 -0.08 -3.45 1.37 3.86 -1.11 -3.34 115.15 113.55 2rmz h HIS 722 Ca 0.27 0.03 -0.71 0.00 -1.16 0.00 0.00 60.37 58.80 2rmz h HIS 722 Cb 0.15 0.09 -0.20 0.00 1.06 0.00 0.00 27.41 28.51 2rmz h HIS 722 CO 0.02 -0.10 -0.30 0.34 0.86 0.00 0.00 177.93 178.75 2rmz s ASP 723 N -5.24 6.16 0.20 2.45 -1.08 -1.08 -5.06 116.67 113.01 2rmz s ASP 723 Ca -0.14 -0.92 -0.04 0.00 -0.52 0.00 0.00 52.55 50.94 2rmz s ASP 723 Cb 0.13 -2.20 -0.05 0.00 -1.46 0.00 0.00 42.92 39.34 2rmz s ASP 723 CO 0.71 -0.57 0.43 -0.13 0.52 0.00 0.00 175.17 176.13 2rmz s ARG 724 N 1.90 3.61 -0.02 4.34 0.52 -1.26 -4.81 118.95 123.23 2rmz s ARG 724 Ca 0.08 -0.10 -0.10 0.00 -0.52 0.00 0.00 55.73 55.09 2rmz s ARG 724 Cb -0.19 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 2rmz s ARG 724 CO 0.11 0.38 0.30 0.15 0.02 0.00 0.00 175.30 176.26 2rmz s LYS 725 N -3.03 3.68 0.22 3.54 1.02 -1.26 -5.00 119.74 118.92 2rmz s LYS 725 Ca 0.42 0.11 -0.07 0.00 0.02 0.00 0.00 55.97 56.46 2rmz s LYS 725 Cb -0.11 -3.15 0.19 0.00 -0.52 0.00 0.00 37.83 34.24 2rmz s LYS 725 CO 0.26 0.69 1.77 0.93 -0.92 0.00 0.00 175.35 178.08 2rmz h GLU 726 N 4.48 1.11 -0.01 1.68 5.08 -2.06 -3.56 114.58 121.30 2rmz h GLU 726 Ca -0.52 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 2rmz h GLU 726 Cb 1.21 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2rmz h GLU 726 CO 0.62 0.94 0.00 1.19 -1.00 0.00 0.00 179.01 180.76