#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 -6.13 -2.55 1.64 4.81 -1.26 -4.90 118.16 109.78 1va3 n LYS 596 Ca 0.00 0.78 -0.41 0.00 -0.87 0.00 0.00 58.31 57.81 1va3 n LYS 596 Cb 0.00 -5.59 -0.03 0.00 0.02 0.00 0.00 35.03 29.43 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 -3.33 2.51 0.41 5.64 0.40 -1.26 -4.94 117.98 117.42 1va3 s PHE 597 Ca 0.02 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.59 1va3 s PHE 597 Cb -0.01 -4.68 -0.02 0.00 0.51 0.00 0.00 43.02 38.82 1va3 s PHE 597 CO 0.67 -1.93 0.15 0.00 0.70 0.00 0.00 175.22 174.81 1va3 s ALA 598 N 5.11 2.91 -0.06 5.36 0.00 -1.26 -0.31 121.76 133.51 1va3 s ALA 598 Ca 0.47 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1va3 s ALA 598 Cb -0.00 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1va3 s ALA 598 CO -0.10 -0.37 -0.10 0.00 0.00 0.00 0.00 175.76 175.19 1va3 h PRO 600 N 5.32 0.00 0.00 0.00 0.13 -2.00 -3.31 132.00 132.14 1va3 h PRO 600 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1va3 h PRO 600 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1va3 h PRO 600 CO 0.52 0.35 -1.09 0.93 -0.23 0.00 0.00 178.00 178.47 1va3 h GLU 601 N 0.00 0.00 -5.01 0.86 4.39 -1.98 -3.47 114.58 109.36 1va3 h GLU 601 Ca -0.04 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.22 1va3 h GLU 601 Cb 1.36 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.87 1va3 h GLU 601 CO 0.05 0.64 -0.58 0.00 -1.16 0.00 0.00 179.01 177.96 1va3 n PRO 603 N -0.64 0.44 -0.70 0.00 -0.04 -1.26 -4.30 135.00 128.50 1va3 n PRO 603 Ca -0.02 -0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 62.89 1va3 n PRO 603 Cb 0.66 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.81 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 -2.74 0.39 0.03 0.54 3.01 -1.26 -4.87 119.74 114.84 1va3 s LYS 604 Ca 0.18 1.23 -0.02 0.00 -1.01 0.00 0.00 55.97 56.35 1va3 s LYS 604 Cb 0.18 -1.68 -0.02 0.00 -1.01 0.00 0.00 37.83 35.30 1va3 s LYS 604 CO 0.61 -2.96 0.00 1.03 0.51 0.00 0.00 175.35 174.54 1va3 s ARG 605 N -4.61 0.47 0.37 1.68 0.52 -1.26 -3.05 118.95 113.06 1va3 s ARG 605 Ca 0.67 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 1va3 s ARG 605 Cb -0.23 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 1va3 s ARG 605 CO 0.60 -0.09 0.16 -0.06 0.02 0.00 0.00 175.30 175.93 1va3 s PHE 606 N -2.45 1.74 -0.08 -0.53 0.40 0.57 -5.00 117.98 112.64 1va3 s PHE 606 Ca -0.07 -1.36 0.19 0.00 -0.60 0.00 0.00 56.93 55.10 1va3 s PHE 606 Cb -0.03 -1.01 0.40 0.00 0.51 0.00 0.00 43.02 42.89 1va3 s PHE 606 CO -0.04 -0.44 1.18 0.00 0.70 0.00 0.00 175.22 176.62 1va3 n MET 607 N -0.77 0.59 -3.35 0.44 0.00 -1.26 -4.28 117.12 108.49 1va3 n MET 607 Ca -0.02 -2.41 0.02 0.00 0.00 0.00 0.00 57.70 55.29 1va3 n MET 607 Cb 0.65 -0.64 -0.04 0.00 0.00 0.00 0.00 33.22 33.19 1va3 n MET 607 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1va3 s ARG 608 N -1.21 0.23 0.62 3.17 0.52 -1.26 -5.02 118.95 115.99 1va3 s ARG 608 Ca 0.33 0.56 0.39 0.00 -0.52 0.00 0.00 55.73 56.49 1va3 s ARG 608 Cb 0.36 0.33 2.02 0.00 0.52 0.00 0.00 34.95 38.18 1va3 s ARG 608 CO -0.12 -0.08 2.24 1.03 0.02 0.00 0.00 175.30 178.40 1va3 h SER 609 N 7.33 0.00 -0.39 0.23 0.87 -1.96 -2.07 113.55 117.56 1va3 h SER 609 Ca -0.15 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1va3 h SER 609 Cb 1.12 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.03 1va3 h SER 609 CO 0.08 0.02 0.12 0.44 -0.53 0.00 0.00 176.83 176.95 1va3 h ASP 610 N 0.00 0.10 0.29 6.23 3.32 -2.00 -0.59 116.42 123.76 1va3 h ASP 610 Ca -0.00 0.05 -0.33 0.00 0.02 0.00 0.00 57.03 56.77 1va3 h ASP 610 Cb 0.16 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1va3 h ASP 610 CO 0.00 0.09 -1.79 -0.74 -1.72 0.00 0.00 179.24 175.08 1va3 h HIS 611 N 0.26 0.42 0.00 4.55 2.76 -1.93 -3.32 115.15 117.89 1va3 h HIS 611 Ca 0.18 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1va3 h HIS 611 Cb 0.19 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1va3 h HIS 611 CO -0.17 1.52 0.01 1.25 -1.30 0.00 0.00 177.93 179.24 1va3 h LEU 612 N 0.06 0.00 -0.24 0.26 6.46 -1.28 -1.56 115.31 119.02 1va3 h LEU 612 Ca -0.34 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.28 1va3 h LEU 612 Cb 2.04 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.97 1va3 h LEU 612 CO 0.12 0.00 -0.41 0.28 -0.62 0.00 0.00 178.44 177.81 1va3 h SER 613 N 0.00 0.78 0.48 1.25 0.02 -1.20 -2.65 113.55 112.23 1va3 h SER 613 Ca 0.00 -0.53 -0.15 0.00 -0.84 0.00 0.00 61.79 60.27 1va3 h SER 613 Cb 0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1va3 h SER 613 CO 0.00 1.16 -0.65 0.11 -1.14 0.00 0.00 176.83 176.31 1va3 h LYS 614 N 0.42 0.16 -0.41 3.45 1.79 -1.47 -2.99 116.57 117.51 1va3 h LYS 614 Ca 0.02 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 1va3 h LYS 614 Cb 1.01 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 1va3 h LYS 614 CO 0.09 0.75 0.08 1.25 -1.08 0.00 0.00 179.45 180.55 1va3 h HIS 615 N 0.11 0.71 0.00 -1.35 2.76 -1.44 -2.76 115.15 113.18 1va3 h HIS 615 Ca -0.01 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 1va3 h HIS 615 Cb 1.17 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 1va3 h HIS 615 CO 0.02 0.68 -0.31 0.82 -1.30 0.00 0.00 177.93 177.84 1va3 h ILE 616 N 0.53 1.21 -0.12 6.26 2.04 -1.47 -3.05 117.51 122.91 1va3 h ILE 616 Ca 0.13 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1va3 h ILE 616 Cb 0.34 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1va3 h ILE 616 CO 0.00 0.30 -0.10 0.11 0.00 0.00 0.00 178.15 178.47 1va3 h LYS 617 N 0.00 -0.11 0.00 2.37 1.57 -1.33 -0.97 116.57 118.10 1va3 h LYS 617 Ca -0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1va3 h LYS 617 Cb 0.55 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1va3 h LYS 617 CO 0.04 -0.07 -0.10 0.00 -0.57 0.00 0.00 179.45 178.75 1va3 h THR 618 N -0.11 0.96 -0.12 -0.16 1.03 -1.52 -2.63 112.91 110.36 1va3 h THR 618 Ca 0.08 -0.35 -0.03 0.00 -0.01 0.00 0.00 66.41 66.11 1va3 h THR 618 Cb 0.23 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.50 1va3 h THR 618 CO -0.19 0.10 -0.03 0.45 -0.01 0.00 0.00 175.52 175.84 1va3 h HIS 619 N 0.00 0.25 -5.19 0.00 3.86 -1.18 -3.49 115.15 109.40 1va3 h HIS 619 Ca -0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1va3 h HIS 619 Cb 0.18 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.52 1va3 h HIS 619 CO 0.00 0.53 -1.26 0.94 0.86 0.00 0.00 177.93 179.00 1va3 n GLN 620 N -4.74 -3.83 0.00 2.45 7.27 -0.60 -5.02 117.38 112.92 1va3 n GLN 620 Ca -0.06 2.98 0.00 0.00 0.07 0.00 0.00 57.00 59.99 1va3 n GLN 620 Cb 0.25 -4.81 0.00 0.00 2.41 0.00 0.00 30.24 28.08 1va3 n GLN 620 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1va3 n ASN 621 N 1.34 0.00 -4.58 1.69 3.02 -1.26 -4.97 115.26 110.50 1va3 n ASN 621 Ca -0.22 0.26 -0.33 0.00 -0.03 0.00 0.00 54.58 54.27 1va3 n ASN 621 Cb 0.36 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.94 2.66 0.00 3.52 -0.14 -1.26 -5.27 119.74 118.32 1va3 s LYS 622 Ca 0.00 -0.62 0.21 0.00 -1.36 0.00 0.00 55.97 54.20 1va3 s LYS 622 Cb 0.00 -2.55 1.25 0.00 -1.68 0.00 0.00 37.83 34.85 1va3 s LYS 622 CO 0.00 0.64 1.63 1.63 -0.76 0.00 0.00 175.35 178.49