#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 -2.61 -3.30 -1.58 4.81 -1.26 -4.85 118.16 109.37 1va3 n LYS 596 Ca 0.00 0.99 -0.02 0.00 -0.87 0.00 0.00 58.31 58.41 1va3 n LYS 596 Cb 0.00 -5.71 -0.04 0.00 0.02 0.00 0.00 35.03 29.30 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1va3 s PHE 597 N -3.08 -1.28 0.22 5.64 0.08 -1.26 -5.05 117.98 113.24 1va3 s PHE 597 Ca 0.09 1.49 -0.11 0.00 0.12 0.00 0.00 56.93 58.52 1va3 s PHE 597 Cb -0.04 0.40 -0.00 0.00 -0.57 0.00 0.00 43.02 42.81 1va3 s PHE 597 CO 0.11 -0.78 0.40 0.00 -0.10 0.00 0.00 175.22 174.85 1va3 s ALA 598 N 2.75 -0.14 -0.05 5.36 0.00 -1.26 -2.89 121.76 125.52 1va3 s ALA 598 Ca 0.14 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 1va3 s ALA 598 Cb -0.15 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1va3 s ALA 598 CO -0.19 -0.77 0.75 0.00 0.00 0.00 0.00 175.76 175.55 1va3 h PRO 600 N 6.72 0.00 0.00 0.00 0.13 -1.99 -3.28 132.00 133.57 1va3 h PRO 600 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1va3 h PRO 600 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1va3 h PRO 600 CO 0.75 0.71 -0.31 0.93 -0.23 0.00 0.00 178.00 179.85 1va3 h GLU 601 N 0.00 0.00 -4.95 0.86 5.08 -1.98 -3.46 114.58 110.14 1va3 h GLU 601 Ca -0.04 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.83 1va3 h GLU 601 Cb 1.63 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.75 1va3 h GLU 601 CO 0.09 0.31 -0.53 0.00 -1.00 0.00 0.00 179.01 177.89 1va3 n PRO 603 N -0.72 0.05 -1.77 0.00 -0.04 -1.26 -4.59 135.00 126.67 1va3 n PRO 603 Ca -0.00 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 1va3 n PRO 603 Cb 0.64 -1.52 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1va3 n PRO 603 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1va3 s LYS 604 N -3.03 3.70 0.19 0.54 3.01 -1.26 -4.94 119.74 117.94 1va3 s LYS 604 Ca 0.10 2.47 0.11 0.00 -1.01 0.00 0.00 55.97 57.64 1va3 s LYS 604 Cb 0.17 -2.68 -0.04 0.00 -1.01 0.00 0.00 37.83 34.27 1va3 s LYS 604 CO 0.71 -0.82 -0.24 1.03 0.51 0.00 0.00 175.35 176.54 1va3 s ARG 605 N -2.44 1.53 0.00 1.68 0.52 -1.26 -3.17 118.95 115.82 1va3 s ARG 605 Ca 0.61 -1.50 0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1va3 s ARG 605 Cb -0.45 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 1va3 s ARG 605 CO 0.58 0.41 -0.18 -0.06 0.02 0.00 0.00 175.30 176.06 1va3 s PHE 606 N -1.61 1.60 0.11 -0.53 0.40 -1.14 -4.99 117.98 111.81 1va3 s PHE 606 Ca 0.20 -0.32 0.34 0.00 -0.60 0.00 0.00 56.93 56.55 1va3 s PHE 606 Cb -0.08 -1.01 1.38 0.00 0.51 0.00 0.00 43.02 43.82 1va3 s PHE 606 CO 0.10 0.00 1.99 1.98 0.70 0.00 0.00 175.22 179.99 1va3 h MET 607 N 5.47 0.00 0.00 0.44 4.05 -1.95 -2.43 114.93 120.51 1va3 h MET 607 Ca -0.38 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 58.81 1va3 h MET 607 Cb 1.15 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.90 1va3 h MET 607 CO 0.47 0.00 -0.20 -2.13 0.23 0.00 0.00 176.91 175.28 1va3 n ARG 608 N -3.09 0.59 -0.02 0.39 0.63 -1.26 -1.65 116.66 112.25 1va3 n ARG 608 Ca 0.01 -1.48 -0.00 0.00 -0.92 0.00 0.00 57.85 55.46 1va3 n ARG 608 Cb 0.30 0.92 -0.05 0.00 0.45 0.00 0.00 32.46 34.09 1va3 n ARG 608 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1va3 n SER 609 N -2.02 3.51 -0.11 6.15 2.88 -1.26 -4.43 113.62 118.35 1va3 n SER 609 Ca -0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.47 1va3 n SER 609 Cb 0.26 0.96 0.02 0.00 -0.75 0.00 0.00 64.21 64.70 1va3 n SER 609 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1va3 h ASP 610 N 0.00 0.13 0.34 -3.46 1.82 -2.00 -2.12 116.42 111.12 1va3 h ASP 610 Ca -0.09 0.04 -0.13 0.00 -0.39 0.00 0.00 57.03 56.46 1va3 h ASP 610 Cb 0.86 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1va3 h ASP 610 CO 0.00 0.11 -0.54 -0.74 -1.61 0.00 0.00 179.24 176.46 1va3 h HIS 611 N 0.27 0.28 -0.06 0.28 2.76 -2.02 -2.84 115.15 113.82 1va3 h HIS 611 Ca 0.17 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1va3 h HIS 611 Cb 0.15 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1va3 h HIS 611 CO -0.15 0.72 0.16 -0.07 -1.30 0.00 0.00 177.93 177.29 1va3 h LEU 612 N 0.17 0.00 -0.57 0.26 3.38 -1.60 -0.71 115.31 116.24 1va3 h LEU 612 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1va3 h LEU 612 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1va3 h LEU 612 CO 0.08 0.00 -0.04 0.77 0.09 0.00 0.00 178.44 179.34 1va3 h SER 613 N 0.00 1.02 0.56 -0.43 4.64 -1.31 -0.81 113.55 117.22 1va3 h SER 613 Ca 0.03 -0.32 -0.17 0.00 -0.47 0.00 0.00 61.79 60.85 1va3 h SER 613 Cb 0.34 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1va3 h SER 613 CO -0.00 1.10 -0.75 0.11 -0.87 0.00 0.00 176.83 176.41 1va3 h LYS 614 N 0.92 0.15 -0.18 4.77 1.79 -1.30 -2.39 116.57 120.33 1va3 h LYS 614 Ca 0.16 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1va3 h LYS 614 Cb 0.60 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1va3 h LYS 614 CO 0.04 0.83 -0.26 1.25 -1.08 0.00 0.00 179.45 180.23 1va3 h HIS 615 N 0.09 0.60 0.00 -1.35 2.76 -1.31 -3.15 115.15 112.80 1va3 h HIS 615 Ca -0.02 -0.20 -0.10 0.00 -2.20 0.00 0.00 60.37 57.85 1va3 h HIS 615 Cb 1.32 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1va3 h HIS 615 CO 0.02 0.90 -0.47 0.82 -1.30 0.00 0.00 177.93 177.89 1va3 h ILE 616 N 0.14 1.32 -0.14 6.26 2.04 -1.19 -2.85 117.51 123.09 1va3 h ILE 616 Ca 0.02 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 1va3 h ILE 616 Cb 0.84 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1va3 h ILE 616 CO 0.06 0.46 0.06 0.11 0.00 0.00 0.00 178.15 178.85 1va3 h LYS 617 N 0.00 0.19 0.00 2.37 1.79 -1.39 -1.53 116.57 118.01 1va3 h LYS 617 Ca -0.00 -0.02 -0.20 0.00 -2.18 0.00 0.00 60.65 58.25 1va3 h LYS 617 Cb 0.85 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 1va3 h LYS 617 CO 0.06 0.16 -0.93 1.79 -1.08 0.00 0.00 179.45 179.45 1va3 h THR 618 N 0.20 1.65 -0.22 -0.16 1.35 -1.50 -3.21 112.91 111.01 1va3 h THR 618 Ca 0.05 -3.12 -0.04 0.00 -0.55 0.00 0.00 66.41 62.75 1va3 h THR 618 Cb 0.03 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 1va3 h THR 618 CO -0.01 0.89 -0.03 0.45 -0.25 0.00 0.00 175.52 176.58 1va3 h HIS 619 N 0.01 0.33 -2.75 4.73 3.86 -1.24 -3.39 115.15 116.70 1va3 h HIS 619 Ca -0.02 -0.02 -0.55 0.00 -1.16 0.00 0.00 60.37 58.62 1va3 h HIS 619 Cb 1.63 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.95 1va3 h HIS 619 CO 0.00 0.36 1.15 -0.65 0.86 0.00 0.00 177.93 179.65 1va3 s GLN 620 N -4.92 3.25 1.20 2.45 -1.52 -1.10 -5.00 119.66 114.02 1va3 s GLN 620 Ca -0.06 0.61 -0.20 0.00 -1.95 0.00 0.00 55.36 53.76 1va3 s GLN 620 Cb 0.16 -4.15 0.31 0.00 -0.22 0.00 0.00 33.01 29.10 1va3 s GLN 620 CO 0.73 -1.99 0.85 0.09 -0.25 0.00 0.00 175.29 174.72 1va3 n ASN 621 N 9.96 -3.06 -4.14 5.90 4.13 -1.26 -5.02 115.26 121.78 1va3 n ASN 621 Ca 0.15 -0.91 -0.30 0.00 1.68 0.00 0.00 54.58 55.20 1va3 n ASN 621 Cb 0.49 -0.88 -0.17 0.00 -1.54 0.00 0.00 39.78 37.69 1va3 n ASN 621 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1va3 s LYS 622 N -4.98 2.59 0.00 3.52 -2.85 -1.26 -5.15 119.74 111.61 1va3 s LYS 622 Ca 0.60 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 1va3 s LYS 622 Cb -0.08 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1va3 s LYS 622 CO 0.49 0.06 0.00 1.63 0.10 0.00 0.00 175.35 177.63