#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va3 n LYS 596 N 0.00 -1.74 -2.30 -1.58 4.76 -1.26 -4.90 118.16 111.13 1va3 n LYS 596 Ca 0.00 0.90 -0.40 0.00 -2.87 0.00 0.00 58.31 55.95 1va3 n LYS 596 Cb 0.00 -5.46 0.02 0.00 -1.84 0.00 0.00 35.03 27.75 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1va3 n PHE 597 N -4.05 2.71 -2.68 2.13 3.72 -1.26 -4.95 117.46 113.08 1va3 n PHE 597 Ca -0.21 -2.51 -0.21 0.00 -0.05 0.00 0.00 57.45 54.46 1va3 n PHE 597 Cb 0.66 -1.31 0.06 0.00 -0.94 0.00 0.00 39.48 37.95 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va3 s ALA 598 N -3.59 3.94 -0.02 4.37 0.00 -1.26 -2.65 121.76 122.56 1va3 s ALA 598 Ca 0.46 -1.54 -0.26 0.00 0.00 0.00 0.00 51.96 50.61 1va3 s ALA 598 Cb 0.26 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1va3 s ALA 598 CO -0.19 -0.95 0.82 0.00 0.00 0.00 0.00 175.76 175.43 1va3 h PRO 600 N 6.54 0.00 0.00 0.00 0.13 -1.98 -3.28 132.00 133.41 1va3 h PRO 600 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1va3 h PRO 600 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1va3 h PRO 600 CO 0.74 0.77 -0.27 0.93 -0.23 0.00 0.00 178.00 179.95 1va3 h GLU 601 N 0.00 0.00 -4.95 0.86 5.08 -1.97 -3.46 114.58 110.14 1va3 h GLU 601 Ca -0.05 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.81 1va3 h GLU 601 Cb 1.69 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.80 1va3 h GLU 601 CO 0.10 0.27 -0.51 0.00 -1.00 0.00 0.00 179.01 177.87 1va3 n PRO 603 N -0.74 0.18 -1.68 0.00 -0.04 -1.26 -4.58 135.00 126.88 1va3 n PRO 603 Ca 0.01 0.04 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 1va3 n PRO 603 Cb 0.64 -1.60 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1va3 n PRO 603 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1va3 n LYS 604 N -1.87 1.12 -4.39 0.54 4.81 -1.26 -4.91 118.16 112.20 1va3 n LYS 604 Ca 0.04 0.43 -0.25 0.00 -0.87 0.00 0.00 58.31 57.66 1va3 n LYS 604 Cb 0.40 -2.38 -0.10 0.00 0.02 0.00 0.00 35.03 32.97 1va3 n LYS 604 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1va3 s ARG 605 N -3.03 1.83 0.00 1.64 0.52 -1.26 -2.93 118.95 115.73 1va3 s ARG 605 Ca 0.78 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1va3 s ARG 605 Cb -0.40 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1va3 s ARG 605 CO 0.45 0.37 0.00 1.19 0.02 0.00 0.00 175.30 177.33 1va3 n PHE 606 N -0.35 0.00 -2.39 -0.53 3.01 -1.26 -4.92 117.46 111.03 1va3 n PHE 606 Ca -0.08 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.23 1va3 n PHE 606 Cb 0.58 0.15 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 1va3 n PHE 606 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1va3 n MET 607 N -2.02 -1.65 -3.15 -1.08 2.81 -1.08 -4.97 117.12 105.97 1va3 n MET 607 Ca 0.00 0.69 0.04 0.00 -1.81 0.00 0.00 57.70 56.61 1va3 n MET 607 Cb 0.09 -4.99 -0.00 0.00 -0.71 0.00 0.00 33.22 27.61 1va3 n MET 607 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1va3 s ARG 608 N -4.86 0.56 0.55 0.03 6.06 -1.23 -3.40 118.95 116.65 1va3 s ARG 608 Ca 0.05 0.47 0.23 0.00 -2.50 0.00 0.00 55.73 53.97 1va3 s ARG 608 Cb -0.02 0.23 1.46 0.00 0.06 0.00 0.00 34.95 36.68 1va3 s ARG 608 CO 0.06 -1.02 2.12 1.03 -2.50 0.00 0.00 175.30 174.99 1va3 h SER 609 N 7.88 0.00 -0.24 -2.12 0.87 -1.94 0.76 113.55 118.76 1va3 h SER 609 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1va3 h SER 609 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1va3 h SER 609 CO 0.13 0.00 0.16 0.44 -0.53 0.00 0.00 176.83 177.03 1va3 h ASP 610 N 0.00 0.28 0.28 6.23 3.32 -1.96 -2.16 116.42 122.42 1va3 h ASP 610 Ca 0.07 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 56.78 1va3 h ASP 610 Cb 0.31 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1va3 h ASP 610 CO -0.00 0.20 -1.88 1.41 -1.72 0.00 0.00 179.24 177.25 1va3 n HIS 611 N -4.92 1.12 0.32 4.55 8.25 -0.81 -3.94 115.22 119.79 1va3 n HIS 611 Ca -0.02 0.30 0.19 0.00 -0.26 0.00 0.00 57.72 57.93 1va3 n HIS 611 Cb 0.03 -1.17 1.03 0.00 1.12 0.00 0.00 29.99 31.00 1va3 n HIS 611 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1va3 h LEU 612 N 0.04 0.00 -0.58 2.41 7.12 0.50 -0.59 115.31 124.21 1va3 h LEU 612 Ca -0.37 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.52 1va3 h LEU 612 Cb 2.03 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 42.14 1va3 h LEU 612 CO 0.08 0.00 -0.21 0.28 -0.13 0.00 0.00 178.44 178.46 1va3 h SER 613 N 0.00 0.93 0.26 1.25 0.02 -1.51 -2.76 113.55 111.74 1va3 h SER 613 Ca 0.01 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 1va3 h SER 613 Cb 0.27 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1va3 h SER 613 CO -0.00 1.11 -0.41 0.11 -1.14 0.00 0.00 176.83 176.50 1va3 h LYS 614 N 0.79 0.20 -0.46 3.45 1.79 -1.31 -2.92 116.57 118.10 1va3 h LYS 614 Ca 0.11 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 1va3 h LYS 614 Cb 0.77 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1va3 h LYS 614 CO 0.06 0.58 -0.12 1.25 -1.08 0.00 0.00 179.45 180.14 1va3 h HIS 615 N 0.17 0.95 -0.15 -1.35 2.76 -1.43 -2.85 115.15 113.24 1va3 h HIS 615 Ca 0.01 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 57.90 1va3 h HIS 615 Cb 0.80 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1va3 h HIS 615 CO 0.01 0.92 -0.35 0.82 -1.30 0.00 0.00 177.93 178.04 1va3 h ILE 616 N 0.77 1.29 -0.19 6.26 2.04 -1.33 -2.67 117.51 123.67 1va3 h ILE 616 Ca 0.12 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1va3 h ILE 616 Cb 0.63 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1va3 h ILE 616 CO 0.04 0.42 0.08 0.11 0.00 0.00 0.00 178.15 178.81 1va3 h LYS 617 N 0.26 0.26 0.02 2.37 1.57 -1.32 -1.62 116.57 118.11 1va3 h LYS 617 Ca 0.03 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 1va3 h LYS 617 Cb 0.74 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1va3 h LYS 617 CO 0.06 0.22 -0.99 1.79 -0.57 0.00 0.00 179.45 179.96 1va3 h THR 618 N 0.27 1.65 -0.05 -0.16 1.35 -1.45 -3.22 112.91 111.29 1va3 h THR 618 Ca 0.07 -3.19 -0.05 0.00 -0.55 0.00 0.00 66.41 62.69 1va3 h THR 618 Cb 0.05 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1va3 h THR 618 CO -0.01 0.92 -0.19 0.45 -0.25 0.00 0.00 175.52 176.44 1va3 h HIS 619 N 0.02 0.08 -3.67 4.73 3.86 -1.06 -3.39 115.15 115.73 1va3 h HIS 619 Ca -0.03 -0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 58.49 1va3 h HIS 619 Cb 1.71 -0.02 -0.31 0.00 1.06 0.00 0.00 27.41 29.85 1va3 h HIS 619 CO 0.01 0.27 -0.68 -0.65 0.86 0.00 0.00 177.93 177.74 1va3 s GLN 620 N -4.61 2.65 -0.23 2.45 -1.52 -1.02 -5.07 119.66 112.31 1va3 s GLN 620 Ca -0.04 -1.13 -0.11 0.00 -1.95 0.00 0.00 55.36 52.13 1va3 s GLN 620 Cb 0.15 -3.21 0.08 0.00 -0.22 0.00 0.00 33.01 29.81 1va3 s GLN 620 CO 0.71 -0.55 0.54 1.21 -0.25 0.00 0.00 175.29 176.95 1va3 s ASN 621 N 1.33 -0.70 0.00 5.90 2.47 -1.26 -4.85 114.94 117.83 1va3 s ASN 621 Ca -0.02 1.21 -0.14 0.00 0.42 0.00 0.00 52.86 54.32 1va3 s ASN 621 Cb -0.19 1.25 -0.06 0.00 -1.45 0.00 0.00 41.25 40.81 1va3 s ASN 621 CO -0.01 -0.22 0.41 -0.54 -3.72 0.00 0.00 177.10 173.02 1va3 s LYS 622 N 1.84 3.90 0.00 0.43 -0.14 -1.26 -5.19 119.74 119.32 1va3 s LYS 622 Ca -0.08 0.40 0.17 0.00 -1.36 0.00 0.00 55.97 55.09 1va3 s LYS 622 Cb -0.08 -3.21 0.13 0.00 -1.68 0.00 0.00 37.83 32.99 1va3 s LYS 622 CO -0.16 0.69 1.03 1.63 -0.76 0.00 0.00 175.35 177.77