#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 4.83 -3.88 1.64 4.01 -1.26 -4.89 118.16 118.61 1va3 n LYS 596 Ca 0.00 -4.71 -0.33 0.00 -0.51 0.00 0.00 58.31 52.77 1va3 n LYS 596 Cb 0.00 -2.42 -0.05 0.00 -0.51 0.00 0.00 35.03 32.06 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1va3 s PHE 597 N -4.00 3.54 0.20 2.13 0.08 -1.25 -5.08 117.98 113.60 1va3 s PHE 597 Ca 0.41 0.36 -0.23 0.00 0.12 0.00 0.00 56.93 57.59 1va3 s PHE 597 Cb 0.20 -1.84 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1va3 s PHE 597 CO -0.11 0.62 0.96 0.00 -0.10 0.00 0.00 175.22 176.58 1va3 s ALA 598 N -1.39 -1.50 -0.18 5.36 0.00 -1.26 -2.44 121.76 120.36 1va3 s ALA 598 Ca 0.30 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 1va3 s ALA 598 Cb -0.13 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 1va3 s ALA 598 CO 0.21 -1.05 0.29 0.00 0.00 0.00 0.00 175.76 175.22 1va3 h PRO 600 N 6.86 0.00 0.00 0.00 0.13 -2.01 -3.28 132.00 133.70 1va3 h PRO 600 Ca -0.40 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.61 1va3 h PRO 600 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1va3 h PRO 600 CO 0.74 0.28 -0.57 0.93 -0.23 0.00 0.00 178.00 179.16 1va3 h GLU 601 N 0.00 0.00 -4.96 0.86 4.39 -1.98 -3.46 114.58 109.42 1va3 h GLU 601 Ca -0.02 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.23 1va3 h GLU 601 Cb 1.25 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.77 1va3 h GLU 601 CO 0.04 0.57 -0.56 0.00 -1.16 0.00 0.00 179.01 177.90 1va3 n PRO 603 N -0.66 2.51 -1.88 0.00 -0.04 -1.26 -4.57 135.00 129.10 1va3 n PRO 603 Ca -0.01 -1.47 -0.29 0.00 -0.04 0.00 0.00 63.50 61.69 1va3 n PRO 603 Cb 0.65 -1.65 0.14 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 -1.73 1.25 -0.00 0.54 -0.14 -1.26 -5.01 119.74 113.38 1va3 s LYS 604 Ca 0.26 -0.12 -0.01 0.00 -1.36 0.00 0.00 55.97 54.74 1va3 s LYS 604 Cb 0.18 -1.89 -0.00 0.00 -1.68 0.00 0.00 37.83 34.43 1va3 s LYS 604 CO 0.11 -2.05 0.02 1.03 -0.76 0.00 0.00 175.35 173.71 1va3 s ARG 605 N -5.70 0.11 -0.13 1.68 1.81 -1.26 -3.40 118.95 112.06 1va3 s ARG 605 Ca 0.68 -0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.59 1va3 s ARG 605 Cb -0.08 0.04 0.02 0.00 -0.45 0.00 0.00 34.95 34.49 1va3 s ARG 605 CO 0.51 -0.02 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.92 1va3 s PHE 606 N -0.34 1.95 0.28 -0.53 0.40 -1.02 -4.94 117.98 113.78 1va3 s PHE 606 Ca -0.04 -1.01 0.36 0.00 -0.60 0.00 0.00 56.93 55.64 1va3 s PHE 606 Cb -0.03 -1.45 1.85 0.00 0.51 0.00 0.00 43.02 43.90 1va3 s PHE 606 CO -0.00 -0.56 2.09 1.98 0.70 0.00 0.00 175.22 179.42 1va3 h MET 607 N 7.83 0.00 -4.98 0.44 4.05 -1.90 -3.33 114.93 117.04 1va3 h MET 607 Ca -0.34 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.56 1va3 h MET 607 Cb 1.15 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.82 1va3 h MET 607 CO 0.49 0.00 -0.51 1.03 0.23 0.00 0.00 176.91 178.15 1va3 s ARG 608 N -3.86 1.86 -0.03 0.39 0.52 -1.26 -4.33 118.95 112.24 1va3 s ARG 608 Ca -0.03 -2.12 0.08 0.00 -0.52 0.00 0.00 55.73 53.15 1va3 s ARG 608 Cb 0.10 -0.30 -0.12 0.00 0.52 0.00 0.00 34.95 35.15 1va3 s ARG 608 CO 0.38 -0.53 0.14 0.45 0.02 0.00 0.00 175.30 175.76 1va3 n SER 609 N -1.35 3.11 -0.12 0.23 2.88 -1.26 -4.37 113.62 112.73 1va3 n SER 609 Ca -0.02 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.47 1va3 n SER 609 Cb 0.64 1.18 0.03 0.00 -0.75 0.00 0.00 64.21 65.31 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 0.07 0.60 -3.46 1.82 -1.99 -2.02 116.42 111.44 1va3 h ASP 610 Ca -0.06 0.06 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 1va3 h ASP 610 Cb 0.70 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1va3 h ASP 610 CO 0.00 0.08 -0.73 0.45 -1.61 0.00 0.00 179.24 177.43 1va3 h HIS 611 N 0.25 0.14 -0.15 0.28 3.86 -2.02 -3.03 115.15 114.48 1va3 h HIS 611 Ca 0.19 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1va3 h HIS 611 Cb 0.20 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1va3 h HIS 611 CO -0.18 0.79 0.24 -0.07 0.86 0.00 0.00 177.93 179.57 1va3 h LEU 612 N 0.06 0.00 -0.74 2.43 3.38 -1.57 -0.28 115.31 118.59 1va3 h LEU 612 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1va3 h LEU 612 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1va3 h LEU 612 CO 0.10 0.00 0.31 0.28 0.09 0.00 0.00 178.44 179.23 1va3 h SER 613 N 0.00 1.00 0.42 -0.43 0.02 -1.37 0.58 113.55 113.77 1va3 h SER 613 Ca 0.07 -0.16 -0.21 0.00 -0.84 0.00 0.00 61.79 60.65 1va3 h SER 613 Cb 0.55 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1va3 h SER 613 CO -0.00 0.88 -0.89 0.11 -1.14 0.00 0.00 176.83 175.79 1va3 h LYS 614 N 1.05 0.32 -0.07 3.45 1.57 -1.25 -1.93 116.57 119.72 1va3 h LYS 614 Ca 0.25 -0.34 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 1va3 h LYS 614 Cb 0.18 0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1va3 h LYS 614 CO -0.02 1.03 -0.56 1.25 -0.57 0.00 0.00 179.45 180.57 1va3 h HIS 615 N 0.19 0.70 -0.31 -1.35 2.76 -1.18 -3.05 115.15 112.91 1va3 h HIS 615 Ca -0.06 -0.33 -0.18 0.00 -2.20 0.00 0.00 60.37 57.60 1va3 h HIS 615 Cb 1.51 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.37 1va3 h HIS 615 CO 0.05 1.13 -0.50 0.82 -1.30 0.00 0.00 177.93 178.12 1va3 h ILE 616 N 0.08 1.27 -0.94 6.26 2.04 0.08 -2.86 117.51 123.44 1va3 h ILE 616 Ca -0.05 -1.68 0.02 0.00 1.00 0.00 0.00 64.86 64.15 1va3 h ILE 616 Cb 1.23 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.84 1va3 h ILE 616 CO 0.11 0.55 0.62 0.07 0.00 0.00 0.00 178.15 179.51 1va3 h LYS 617 N 0.68 1.22 0.00 2.37 2.10 -1.44 -1.56 116.57 119.93 1va3 h LYS 617 Ca 0.03 -0.07 -0.10 0.00 -2.00 0.00 0.00 60.65 58.51 1va3 h LYS 617 Cb 1.10 -0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1va3 h LYS 617 CO 0.11 0.81 -0.46 0.00 -2.00 0.00 0.00 179.45 177.91 1va3 h THR 618 N 1.25 1.18 -0.31 0.07 1.03 -1.51 -2.90 112.91 111.73 1va3 h THR 618 Ca 0.36 -1.64 0.00 0.00 -0.01 0.00 0.00 66.41 65.12 1va3 h THR 618 Cb -0.10 1.92 -0.02 0.00 -1.07 0.00 0.00 68.15 68.88 1va3 h THR 618 CO -0.09 0.45 0.20 0.45 -0.01 0.00 0.00 175.52 176.52 1va3 h HIS 619 N 0.00 0.40 -3.56 0.00 3.86 -1.04 -3.39 115.15 111.41 1va3 h HIS 619 Ca -0.00 0.01 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1va3 h HIS 619 Cb 0.88 -0.13 -0.12 0.00 1.06 0.00 0.00 27.41 29.10 1va3 h HIS 619 CO 0.00 0.25 0.01 -0.65 0.86 0.00 0.00 177.93 178.41 1va3 s GLN 620 N -5.38 4.08 -0.28 2.45 -1.52 -1.09 -5.05 119.66 112.87 1va3 s GLN 620 Ca -0.07 0.37 -0.16 0.00 -1.95 0.00 0.00 55.36 53.55 1va3 s GLN 620 Cb 0.17 -3.65 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 1va3 s GLN 620 CO 0.72 -0.35 0.41 1.21 -0.25 0.00 0.00 175.29 177.02 1va3 s ASN 621 N 1.50 6.28 0.05 5.90 2.47 -1.26 -4.97 114.94 124.91 1va3 s ASN 621 Ca 0.22 0.26 -0.07 0.00 0.42 0.00 0.00 52.86 53.69 1va3 s ASN 621 Cb -0.16 -2.23 -0.05 0.00 -1.45 0.00 0.00 41.25 37.37 1va3 s ASN 621 CO 0.09 -0.24 0.32 -0.75 -3.72 0.00 0.00 177.10 172.81 1va3 s LYS 622 N 2.13 3.65 0.00 0.43 2.20 -1.26 -5.23 119.74 121.66 1va3 s LYS 622 Ca 0.16 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1va3 s LYS 622 Cb -0.16 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1va3 s LYS 622 CO 0.10 0.60 0.00 1.17 -0.36 0.00 0.00 175.35 176.86