#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 -2.72 -3.56 -1.58 0.00 -1.26 -4.94 118.16 104.10 1va3 n LYS 596 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 58.31 58.99 1va3 n LYS 596 Cb 0.00 -5.69 -0.14 0.00 0.00 0.00 0.00 35.03 29.21 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1va3 s PHE 597 N -3.08 0.90 0.49 5.64 0.08 -1.26 -5.13 117.98 115.62 1va3 s PHE 597 Ca 0.10 -1.51 0.02 0.00 0.12 0.00 0.00 56.93 55.66 1va3 s PHE 597 Cb -0.04 -1.15 0.02 0.00 -0.57 0.00 0.00 43.02 41.27 1va3 s PHE 597 CO 0.12 -0.83 0.13 0.00 -0.10 0.00 0.00 175.22 174.54 1va3 n ALA 598 N 4.48 0.54 -2.80 5.36 0.00 -1.26 -2.06 120.51 124.77 1va3 n ALA 598 Ca 0.04 -2.11 -0.36 0.00 0.00 0.00 0.00 53.44 51.01 1va3 n ALA 598 Cb 0.39 1.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.83 1va3 n ALA 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va3 n PRO 600 N 2.81 0.04 -0.06 0.00 -0.04 -1.26 -3.74 135.00 132.75 1va3 n PRO 600 Ca -0.18 -0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.25 1va3 n PRO 600 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 1va3 n PRO 600 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1va3 n GLU 601 N -1.47 0.99 -4.42 0.54 -0.58 -1.26 -5.03 120.64 109.42 1va3 n GLU 601 Ca 0.07 -0.06 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1va3 n GLU 601 Cb 0.33 -1.44 -0.09 0.00 -0.57 0.00 0.00 31.44 29.67 1va3 n GLU 601 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1va3 n PRO 603 N -0.70 0.47 -0.94 0.00 -0.04 -1.26 -4.30 135.00 128.23 1va3 n PRO 603 Ca -0.02 -0.27 -0.32 0.00 -0.04 0.00 0.00 63.50 62.85 1va3 n PRO 603 Cb 0.65 -1.49 0.14 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.72 1.38 0.05 0.54 1.02 -1.26 -4.88 119.74 113.87 1va3 s LYS 604 Ca 0.19 1.64 0.04 0.00 0.02 0.00 0.00 55.97 57.86 1va3 s LYS 604 Cb 0.18 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1va3 s LYS 604 CO 0.60 -2.38 -0.12 1.03 -0.92 0.00 0.00 175.35 173.56 1va3 s ARG 605 N -4.39 0.73 -0.03 1.68 0.52 -1.26 -3.04 118.95 113.16 1va3 s ARG 605 Ca 0.70 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 55.14 1va3 s ARG 605 Cb -0.26 -0.66 -0.01 0.00 0.52 0.00 0.00 34.95 34.54 1va3 s ARG 605 CO 0.54 0.15 -0.18 -0.06 0.02 0.00 0.00 175.30 175.76 1va3 s PHE 606 N -1.17 1.72 -1.36 -0.53 0.40 -0.87 -5.01 117.98 111.15 1va3 s PHE 606 Ca -0.04 -0.40 0.26 0.00 -0.60 0.00 0.00 56.93 56.15 1va3 s PHE 606 Cb -0.09 -1.13 1.26 0.00 0.51 0.00 0.00 43.02 43.57 1va3 s PHE 606 CO 0.01 -0.09 1.85 -0.12 0.70 0.00 0.00 175.22 177.58 1va3 n MET 607 N 2.83 0.31 -4.35 0.44 1.56 -1.26 -3.60 117.12 113.04 1va3 n MET 607 Ca -0.16 0.05 -0.19 0.00 -0.27 0.00 0.00 57.70 57.13 1va3 n MET 607 Cb 0.53 -1.50 -0.09 0.00 2.15 0.00 0.00 33.22 34.31 1va3 n MET 607 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 1va3 s ARG 608 N -2.64 1.57 -0.08 2.12 3.52 -1.26 -1.65 118.95 120.53 1va3 s ARG 608 Ca 0.22 -1.89 0.10 0.00 -0.13 0.00 0.00 55.73 54.03 1va3 s ARG 608 Cb 0.17 -0.22 -0.14 0.00 -1.56 0.00 0.00 34.95 33.20 1va3 s ARG 608 CO 0.40 -0.40 0.10 -1.13 -0.81 0.00 0.00 175.30 173.46 1va3 n SER 609 N -0.81 2.46 -0.06 -2.12 3.41 -1.26 -4.17 113.62 111.06 1va3 n SER 609 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1va3 n SER 609 Cb 0.65 0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 65.55 1va3 n SER 609 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1va3 h ASP 610 N 0.00 0.28 0.34 4.04 5.19 -2.01 -2.73 116.42 121.54 1va3 h ASP 610 Ca -0.20 -0.07 -0.17 0.00 -0.62 0.00 0.00 57.03 55.97 1va3 h ASP 610 Cb 1.30 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 1va3 h ASP 610 CO 0.01 0.27 -0.71 0.45 -3.12 0.00 0.00 179.24 176.15 1va3 h HIS 611 N 0.27 0.42 0.00 4.55 3.86 -2.02 -2.96 115.15 119.27 1va3 h HIS 611 Ca 0.08 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1va3 h HIS 611 Cb 0.05 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1va3 h HIS 611 CO -0.04 0.92 0.00 1.25 0.86 0.00 0.00 177.93 180.92 1va3 h LEU 612 N 0.22 0.00 -0.18 2.43 6.46 -1.67 -1.80 115.31 120.76 1va3 h LEU 612 Ca -0.02 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.58 1va3 h LEU 612 Cb 1.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1va3 h LEU 612 CO 0.11 0.00 -0.49 0.28 -0.62 0.00 0.00 178.44 177.73 1va3 h SER 613 N 0.00 0.74 0.28 1.25 0.02 -1.31 -2.44 113.55 112.09 1va3 h SER 613 Ca 0.00 -0.58 -0.11 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 1.19 -0.42 0.11 -1.14 0.00 0.00 176.83 176.57 1va3 h LYS 614 N 0.33 0.19 -0.10 3.45 1.57 -1.47 -2.60 116.57 117.94 1va3 h LYS 614 Ca -0.01 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1va3 h LYS 614 Cb 1.10 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1va3 h LYS 614 CO 0.10 0.59 -0.08 1.25 -0.57 0.00 0.00 179.45 180.74 1va3 h HIS 615 N 0.16 0.28 0.00 -1.35 2.76 -1.48 -3.08 115.15 112.44 1va3 h HIS 615 Ca 0.01 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1va3 h HIS 615 Cb 0.82 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 1va3 h HIS 615 CO 0.01 0.63 -0.14 0.82 -1.30 0.00 0.00 177.93 177.95 1va3 h ILE 616 N -0.15 1.07 -0.79 6.26 2.04 -1.40 -2.66 117.51 121.88 1va3 h ILE 616 Ca 0.02 -0.49 0.10 0.00 1.00 0.00 0.00 64.86 65.48 1va3 h ILE 616 Cb 0.57 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1va3 h ILE 616 CO 0.02 0.14 0.43 0.11 0.00 0.00 0.00 178.15 178.85 1va3 h LYS 617 N 0.00 0.70 0.00 2.37 1.79 -1.37 -0.30 116.57 119.76 1va3 h LYS 617 Ca -0.00 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 1va3 h LYS 617 Cb 0.26 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1va3 h LYS 617 CO 0.02 0.46 -0.42 0.00 -1.08 0.00 0.00 179.45 178.43 1va3 h THR 618 N 0.72 0.98 -0.01 -0.16 1.03 -1.54 -2.53 112.91 111.40 1va3 h THR 618 Ca 0.38 -1.66 -0.05 0.00 -0.01 0.00 0.00 66.41 65.08 1va3 h THR 618 Cb 0.38 1.99 -0.01 0.00 -1.07 0.00 0.00 68.15 69.44 1va3 h THR 618 CO -0.26 0.41 -0.22 0.45 -0.01 0.00 0.00 175.52 175.90 1va3 h HIS 619 N 0.00 0.01 0.00 0.00 3.86 -1.01 -3.24 115.15 114.78 1va3 h HIS 619 Ca -0.00 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 1va3 h HIS 619 Cb 0.95 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 1va3 h HIS 619 CO 0.00 0.23 -0.61 1.96 0.86 0.00 0.00 177.93 180.37 1va3 h GLN 620 N 0.01 0.00 -4.67 2.45 1.08 -1.32 -3.45 115.11 109.22 1va3 h GLN 620 Ca 0.00 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.51 1va3 h GLN 620 Cb 0.40 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 27.61 1va3 h GLN 620 CO 0.03 0.54 -0.50 -0.80 -0.95 0.00 0.00 178.83 177.15 1va3 s ASN 621 N -6.20 5.86 0.11 1.46 -0.87 -0.97 -5.08 114.94 109.26 1va3 s ASN 621 Ca -0.18 -0.66 0.07 0.00 -1.57 0.00 0.00 52.86 50.52 1va3 s ASN 621 Cb 0.02 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 39.13 1va3 s ASN 621 CO 0.40 -0.30 -0.11 -0.75 -2.57 0.00 0.00 177.10 173.78 1va3 s LYS 622 N 1.65 2.07 0.00 -0.60 2.47 -1.25 -4.46 119.74 119.62 1va3 s LYS 622 Ca 0.05 -1.06 0.00 0.00 -1.56 0.00 0.00 55.97 53.40 1va3 s LYS 622 Cb -0.18 -2.27 0.00 0.00 -1.46 0.00 0.00 37.83 33.92 1va3 s LYS 622 CO 0.08 0.50 0.00 1.63 0.16 0.00 0.00 175.35 177.72