#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 2.22 -3.28 1.64 5.02 -1.26 -4.60 118.16 117.90 1va3 n LYS 596 Ca 0.00 -2.86 -0.25 0.00 -2.02 0.00 0.00 58.31 53.17 1va3 n LYS 596 Cb 0.00 -2.12 -0.07 0.00 -0.02 0.00 0.00 35.03 32.82 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1va3 n PHE 597 N -1.02 2.10 -5.01 2.13 3.72 -1.26 -5.08 117.46 113.04 1va3 n PHE 597 Ca 0.57 -3.92 -0.32 0.00 -0.05 0.00 0.00 57.45 53.73 1va3 n PHE 597 Cb 1.50 -0.47 -0.14 0.00 -0.94 0.00 0.00 39.48 39.43 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va3 s ALA 598 N -2.15 2.49 0.23 4.37 0.00 -1.26 -1.57 121.76 123.86 1va3 s ALA 598 Ca 0.39 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 1va3 s ALA 598 Cb 0.18 -0.88 -0.10 0.00 0.00 0.00 0.00 23.12 22.33 1va3 s ALA 598 CO -0.06 0.49 1.49 0.00 0.00 0.00 0.00 175.76 177.68 1va3 h PRO 600 N 5.54 0.00 0.00 0.00 0.13 -1.99 -3.30 132.00 132.38 1va3 h PRO 600 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1va3 h PRO 600 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1va3 h PRO 600 CO 0.82 0.39 -0.59 0.93 -0.23 0.00 0.00 178.00 179.32 1va3 h GLU 601 N 0.00 0.00 -4.91 0.86 4.39 -1.97 -3.47 114.58 109.48 1va3 h GLU 601 Ca -0.05 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.23 1va3 h GLU 601 Cb 1.40 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.91 1va3 h GLU 601 CO 0.05 0.59 -0.56 0.00 -1.16 0.00 0.00 179.01 177.93 1va3 n PRO 603 N -0.60 3.13 -3.38 0.00 -0.04 -1.26 -4.49 135.00 128.36 1va3 n PRO 603 Ca 0.00 -1.78 -0.32 0.00 -0.04 0.00 0.00 63.50 61.36 1va3 n PRO 603 Cb 0.65 -1.92 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.99 3.82 0.13 0.54 1.02 -1.26 -5.00 119.74 116.99 1va3 s LYS 604 Ca 0.31 0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.68 1va3 s LYS 604 Cb 0.24 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1va3 s LYS 604 CO 0.09 0.29 -0.16 1.03 -0.92 0.00 0.00 175.35 175.68 1va3 s ARG 605 N -2.86 1.09 0.11 1.68 0.52 -1.26 -1.86 118.95 116.36 1va3 s ARG 605 Ca 0.48 -1.26 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 1va3 s ARG 605 Cb -0.11 -1.05 -0.04 0.00 0.52 0.00 0.00 34.95 34.27 1va3 s ARG 605 CO 0.21 0.21 -0.10 -0.06 0.02 0.00 0.00 175.30 175.58 1va3 s PHE 606 N -1.98 1.13 -0.43 -0.53 0.40 -0.61 -4.98 117.98 110.99 1va3 s PHE 606 Ca 0.10 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1va3 s PHE 606 Cb -0.06 -0.61 0.63 0.00 0.51 0.00 0.00 43.02 43.50 1va3 s PHE 606 CO 0.04 0.02 1.87 -1.33 0.70 0.00 0.00 175.22 176.52 1va3 n MET 607 N 0.34 2.18 -3.70 0.44 2.81 -1.26 -4.43 117.12 113.51 1va3 n MET 607 Ca -0.14 -2.85 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 1va3 n MET 607 Cb 0.58 -2.12 -0.00 0.00 -0.71 0.00 0.00 33.22 30.98 1va3 n MET 607 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1va3 s ARG 608 N -3.12 0.61 -0.07 0.03 0.52 -1.26 -5.05 118.95 110.61 1va3 s ARG 608 Ca 0.54 -0.35 0.12 0.00 -0.52 0.00 0.00 55.73 55.52 1va3 s ARG 608 Cb 0.45 0.20 -0.17 0.00 0.52 0.00 0.00 34.95 35.95 1va3 s ARG 608 CO 0.10 -0.28 0.16 0.45 0.02 0.00 0.00 175.30 175.75 1va3 n SER 609 N -0.59 2.02 -0.09 0.23 2.88 -1.26 -4.10 113.62 112.71 1va3 n SER 609 Ca -0.07 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.40 1va3 n SER 609 Cb 0.62 1.18 0.00 0.00 -0.75 0.00 0.00 64.21 65.27 1va3 n SER 609 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1va3 h ASP 610 N 0.00 0.16 0.50 -3.46 5.19 -2.01 -2.02 116.42 114.78 1va3 h ASP 610 Ca -0.17 0.03 -0.23 0.00 -0.62 0.00 0.00 57.03 56.04 1va3 h ASP 610 Cb 1.19 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1va3 h ASP 610 CO 0.01 0.13 -1.02 0.45 -3.12 0.00 0.00 179.24 175.68 1va3 h HIS 611 N 0.28 0.49 0.00 4.55 3.86 -2.00 -3.13 115.15 119.20 1va3 h HIS 611 Ca 0.14 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1va3 h HIS 611 Cb 0.10 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1va3 h HIS 611 CO -0.13 1.15 0.00 1.25 0.86 0.00 0.00 177.93 181.06 1va3 h LEU 612 N 0.15 0.00 -0.25 2.43 6.46 -1.63 -1.69 115.31 120.78 1va3 h LEU 612 Ca -0.09 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.55 1va3 h LEU 612 Cb 1.69 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.62 1va3 h LEU 612 CO 0.17 0.00 -0.34 0.28 -0.62 0.00 0.00 178.44 177.93 1va3 h SER 613 N 0.00 0.72 0.46 1.25 0.02 -1.31 -2.22 113.55 112.48 1va3 h SER 613 Ca 0.00 -0.51 -0.15 0.00 -0.84 0.00 0.00 61.79 60.30 1va3 h SER 613 Cb 0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1va3 h SER 613 CO 0.00 1.09 -0.64 0.11 -1.14 0.00 0.00 176.83 176.25 1va3 h LYS 614 N 0.38 0.16 -0.12 3.45 1.57 -1.47 -2.58 116.57 117.97 1va3 h LYS 614 Ca 0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1va3 h LYS 614 Cb 0.92 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1va3 h LYS 614 CO 0.08 0.74 -0.01 1.25 -0.57 0.00 0.00 179.45 180.94 1va3 h HIS 615 N 0.12 0.24 0.00 -1.35 2.76 -1.42 -2.99 115.15 112.50 1va3 h HIS 615 Ca -0.01 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 1va3 h HIS 615 Cb 1.14 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 1va3 h HIS 615 CO 0.02 0.47 -0.32 0.82 -1.30 0.00 0.00 177.93 177.61 1va3 h ILE 616 N -0.07 1.21 -0.09 6.26 2.04 -1.42 -3.07 117.51 122.37 1va3 h ILE 616 Ca 0.03 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.81 1va3 h ILE 616 Cb 0.38 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1va3 h ILE 616 CO 0.01 0.32 -0.14 0.11 0.00 0.00 0.00 178.15 178.44 1va3 h LYS 617 N 0.00 -0.18 -0.08 2.37 1.57 -1.31 -1.52 116.57 117.42 1va3 h LYS 617 Ca -0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1va3 h LYS 617 Cb 0.58 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1va3 h LYS 617 CO 0.04 -0.12 -0.16 0.00 -0.57 0.00 0.00 179.45 178.63 1va3 h THR 618 N -0.19 1.16 -0.67 -0.16 1.03 -1.51 -2.70 112.91 109.88 1va3 h THR 618 Ca 0.08 -0.74 0.01 0.00 -0.01 0.00 0.00 66.41 65.75 1va3 h THR 618 Cb 0.30 1.29 -0.03 0.00 -1.07 0.00 0.00 68.15 68.64 1va3 h THR 618 CO -0.20 0.22 0.44 0.45 -0.01 0.00 0.00 175.52 176.42 1va3 h HIS 619 N 0.11 0.83 -0.29 0.00 3.86 -1.21 -3.35 115.15 115.10 1va3 h HIS 619 Ca 0.02 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 1va3 h HIS 619 Cb 0.36 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1va3 h HIS 619 CO 0.00 0.51 0.54 -0.65 0.86 0.00 0.00 177.93 179.19 1va3 s GLN 620 N -6.14 1.81 -0.84 2.45 -0.21 -0.91 -4.85 119.66 110.96 1va3 s GLN 620 Ca -0.13 -0.76 -0.25 0.00 0.02 0.00 0.00 55.36 54.24 1va3 s GLN 620 Cb 0.14 -5.10 -0.05 0.00 1.00 0.00 0.00 33.01 29.00 1va3 s GLN 620 CO 0.77 -4.77 1.99 -0.80 -2.12 0.00 0.00 175.29 170.35 1va3 s ASN 621 N 7.61 5.03 0.61 5.90 -0.87 -1.26 -4.95 114.94 127.01 1va3 s ASN 621 Ca 0.75 -0.42 -0.17 0.00 -1.57 0.00 0.00 52.86 51.45 1va3 s ASN 621 Cb -0.03 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.62 1va3 s ASN 621 CO 0.16 -2.80 1.13 -0.54 -2.57 0.00 0.00 177.10 172.47 1va3 s LYS 622 N 7.22 3.02 0.00 -0.60 -0.14 -1.26 -5.24 119.74 122.73 1va3 s LYS 622 Ca 0.72 1.54 0.00 0.00 -1.36 0.00 0.00 55.97 56.87 1va3 s LYS 622 Cb -0.08 -1.97 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 1va3 s LYS 622 CO 0.04 -1.10 0.00 1.63 -0.76 0.00 0.00 175.35 175.15