#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 0.11 -3.69 1.64 4.81 -1.26 -5.08 118.16 114.69 1va3 n LYS 596 Ca 0.00 -1.71 -0.15 0.00 -0.87 0.00 0.00 58.31 55.58 1va3 n LYS 596 Cb 0.00 0.11 -0.15 0.00 0.02 0.00 0.00 35.03 35.01 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 -0.17 -0.19 -0.19 5.64 0.08 -1.26 -5.12 117.98 116.77 1va3 s PHE 597 Ca 0.21 0.60 -0.13 0.00 0.12 0.00 0.00 56.93 57.74 1va3 s PHE 597 Cb 0.26 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.58 1va3 s PHE 597 CO -0.11 -0.24 0.48 0.00 -0.10 0.00 0.00 175.22 175.25 1va3 s ALA 598 N 1.93 -1.22 -0.32 5.36 0.00 -1.26 -3.32 121.76 122.93 1va3 s ALA 598 Ca -0.01 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.28 1va3 s ALA 598 Cb -0.12 -0.97 -0.07 0.00 0.00 0.00 0.00 23.12 21.96 1va3 s ALA 598 CO -0.06 -0.27 2.26 0.00 0.00 0.00 0.00 175.76 177.69 1va3 n PRO 600 N 8.67 0.12 0.10 0.00 -0.02 -1.26 -1.88 135.00 140.72 1va3 n PRO 600 Ca 0.35 0.50 0.04 0.00 -2.02 0.00 0.00 63.50 62.37 1va3 n PRO 600 Cb 0.40 -1.80 -0.01 0.00 -0.02 0.00 0.00 33.50 32.07 1va3 n PRO 600 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1va3 h GLU 601 N 0.00 0.00 -4.94 -0.52 4.39 -1.97 -3.48 114.58 108.06 1va3 h GLU 601 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1va3 h GLU 601 Cb 0.15 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.67 1va3 h GLU 601 CO 0.00 0.27 -0.49 0.00 -1.16 0.00 0.00 179.01 177.63 1va3 h PRO 603 N 2.01 0.00 -6.69 0.00 0.13 -1.93 -3.42 132.00 122.10 1va3 h PRO 603 Ca -0.28 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.33 1va3 h PRO 603 Cb 1.25 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.44 1va3 h PRO 603 CO 0.42 0.00 0.92 0.15 -0.23 0.00 0.00 178.00 179.26 1va3 s LYS 604 N -3.18 4.16 0.18 0.86 -0.14 -1.26 -4.95 119.74 115.40 1va3 s LYS 604 Ca 0.05 2.51 0.09 0.00 -1.36 0.00 0.00 55.97 57.26 1va3 s LYS 604 Cb 0.13 -3.09 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 1va3 s LYS 604 CO 0.74 -0.65 -0.14 1.03 -0.76 0.00 0.00 175.35 175.57 1va3 s ARG 605 N 0.60 1.91 0.23 1.68 0.52 -1.26 -3.39 118.95 119.24 1va3 s ARG 605 Ca 0.69 -1.32 0.09 0.00 -0.52 0.00 0.00 55.73 54.68 1va3 s ARG 605 Cb -0.47 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 1va3 s ARG 605 CO 0.37 0.43 -0.17 -0.06 0.02 0.00 0.00 175.30 175.89 1va3 s PHE 606 N -1.65 1.94 -0.42 -0.53 0.40 -1.21 -5.02 117.98 111.49 1va3 s PHE 606 Ca 0.23 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1va3 s PHE 606 Cb -0.09 -0.87 0.66 0.00 0.51 0.00 0.00 43.02 43.23 1va3 s PHE 606 CO 0.13 0.50 1.86 -0.12 0.70 0.00 0.00 175.22 178.29 1va3 n MET 607 N -0.45 2.33 -3.98 0.44 1.56 -1.26 -4.58 117.12 111.17 1va3 n MET 607 Ca -0.07 -3.04 0.02 0.00 -0.27 0.00 0.00 57.70 54.35 1va3 n MET 607 Cb 0.60 -2.14 0.01 0.00 2.15 0.00 0.00 33.22 33.84 1va3 n MET 607 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 1va3 s ARG 608 N -3.27 0.43 -0.06 2.12 1.70 -1.26 -5.04 118.95 113.57 1va3 s ARG 608 Ca 0.56 -0.28 0.08 0.00 -0.47 0.00 0.00 55.73 55.61 1va3 s ARG 608 Cb 0.47 0.12 -0.11 0.00 -0.57 0.00 0.00 34.95 34.85 1va3 s ARG 608 CO 0.10 -0.20 0.09 0.45 -1.08 0.00 0.00 175.30 174.65 1va3 n SER 609 N -1.08 2.97 -0.10 -2.89 2.88 -1.26 -4.08 113.62 110.07 1va3 n SER 609 Ca 0.03 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.51 1va3 n SER 609 Cb 0.59 0.94 0.01 0.00 -0.75 0.00 0.00 64.21 65.00 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 0.16 0.59 -3.46 3.58 -2.01 -1.60 116.42 113.69 1va3 h ASP 610 Ca -0.15 0.03 -0.28 0.00 0.42 0.00 0.00 57.03 57.05 1va3 h ASP 610 Cb 1.13 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1va3 h ASP 610 CO 0.01 0.13 -1.32 0.45 -2.88 0.00 0.00 179.24 175.63 1va3 h HIS 611 N 0.29 0.46 0.00 0.28 3.86 -2.00 -3.24 115.15 114.80 1va3 h HIS 611 Ca 0.15 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1va3 h HIS 611 Cb 0.11 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1va3 h HIS 611 CO -0.13 1.30 0.00 1.25 0.86 0.00 0.00 177.93 181.21 1va3 h LEU 612 N 0.07 0.00 -0.13 2.43 6.46 -1.65 -1.87 115.31 120.62 1va3 h LEU 612 Ca -0.16 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.39 1va3 h LEU 612 Cb 1.98 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.92 1va3 h LEU 612 CO 0.19 0.00 -0.72 -1.28 -0.62 0.00 0.00 178.44 176.01 1va3 h SER 613 N 0.00 0.86 0.39 1.25 0.87 -1.32 -2.85 113.55 112.75 1va3 h SER 613 Ca 0.00 -0.64 -0.13 0.00 -1.23 0.00 0.00 61.79 59.79 1va3 h SER 613 Cb 0.06 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1va3 h SER 613 CO 0.00 1.36 -0.55 0.50 -0.53 0.00 0.00 176.83 177.61 1va3 h LYS 614 N 0.42 0.17 -0.44 2.24 1.63 -1.50 -2.47 116.57 116.62 1va3 h LYS 614 Ca -0.05 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 1va3 h LYS 614 Cb 1.35 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.98 1va3 h LYS 614 CO 0.15 0.68 0.06 1.25 -3.45 0.00 0.00 179.45 178.14 1va3 h HIS 615 N 0.13 0.80 -0.05 1.91 2.76 -1.50 -2.71 115.15 116.49 1va3 h HIS 615 Ca -0.00 -0.12 -0.12 0.00 -2.20 0.00 0.00 60.37 57.93 1va3 h HIS 615 Cb 1.02 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 1va3 h HIS 615 CO 0.01 0.76 -0.53 0.82 -1.30 0.00 0.00 177.93 177.69 1va3 h ILE 616 N 0.60 1.37 -0.46 6.26 2.04 -1.45 -3.01 117.51 122.86 1va3 h ILE 616 Ca 0.13 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 1va3 h ILE 616 Cb 0.40 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1va3 h ILE 616 CO 0.01 0.53 0.24 0.11 0.00 0.00 0.00 178.15 179.04 1va3 h LYS 617 N 0.10 0.64 0.00 2.37 1.79 -1.23 -2.38 116.57 117.86 1va3 h LYS 617 Ca -0.00 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 1va3 h LYS 617 Cb 0.98 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1va3 h LYS 617 CO 0.08 0.52 -0.31 0.00 -1.08 0.00 0.00 179.45 178.66 1va3 h THR 618 N 0.60 1.09 -1.00 -0.16 1.03 -1.44 -2.85 112.91 110.18 1va3 h THR 618 Ca 0.16 -1.10 0.05 0.00 -0.01 0.00 0.00 66.41 65.51 1va3 h THR 618 Cb 0.07 1.61 -0.06 0.00 -1.07 0.00 0.00 68.15 68.71 1va3 h THR 618 CO -0.02 0.30 0.65 0.45 -0.01 0.00 0.00 175.52 176.89 1va3 h HIS 619 N 0.00 1.22 0.44 0.00 3.86 -1.29 -3.13 115.15 116.26 1va3 h HIS 619 Ca -0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1va3 h HIS 619 Cb 0.59 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1va3 h HIS 619 CO 0.00 0.68 -0.21 1.96 0.86 0.00 0.00 177.93 181.21 1va3 h GLN 620 N 1.23 -0.58 -6.64 2.45 1.08 -1.45 -3.42 115.11 107.79 1va3 h GLN 620 Ca 0.41 0.04 -0.52 0.00 -1.45 0.00 0.00 58.65 57.13 1va3 h GLN 620 Cb 0.07 0.13 0.06 0.00 -0.05 0.00 0.00 27.48 27.68 1va3 h GLN 620 CO -0.14 -0.38 1.04 0.09 -0.95 0.00 0.00 178.83 178.48 1va3 n ASN 621 N -3.76 4.04 -4.20 1.46 3.02 -1.18 -4.99 115.26 109.65 1va3 n ASN 621 Ca -0.07 1.05 -0.33 0.00 -0.03 0.00 0.00 54.58 55.19 1va3 n ASN 621 Cb 0.24 -1.58 -0.15 0.00 -0.61 0.00 0.00 39.78 37.67 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1va3 s LYS 622 N 1.43 3.13 0.00 3.52 1.02 -1.26 -4.90 119.74 122.68 1va3 s LYS 622 Ca 0.76 -0.77 0.29 0.00 0.02 0.00 0.00 55.97 56.27 1va3 s LYS 622 Cb -0.50 -2.65 1.28 0.00 -0.52 0.00 0.00 37.83 35.45 1va3 s LYS 622 CO 0.33 -0.11 1.87 1.17 -0.92 0.00 0.00 175.35 177.69