#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 2.07 -2.42 1.64 5.02 -1.26 -5.03 118.16 118.17 1va3 n LYS 596 Ca 0.00 -3.34 -0.02 0.00 -2.02 0.00 0.00 58.31 52.93 1va3 n LYS 596 Cb 0.00 -1.88 -0.01 0.00 -0.02 0.00 0.00 35.03 33.12 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 -1.07 -4.27 -3.63 2.13 3.72 -1.25 -0.89 117.46 112.20 1va3 n PHE 597 Ca 0.35 2.53 -0.38 0.00 -0.05 0.00 0.00 57.45 59.89 1va3 n PHE 597 Cb 0.97 -3.58 -0.11 0.00 -0.94 0.00 0.00 39.48 35.82 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 -0.56 3.41 0.32 4.37 0.00 -1.26 -2.50 121.76 125.54 1va3 s ALA 598 Ca -0.08 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 1va3 s ALA 598 Cb 0.01 -2.39 -0.11 0.00 0.00 0.00 0.00 23.12 20.63 1va3 s ALA 598 CO 0.21 -0.60 1.57 0.00 0.00 0.00 0.00 175.76 176.94 1va3 n PRO 600 N 1.65 0.17 -0.05 0.00 -0.04 -1.26 -3.47 135.00 131.99 1va3 n PRO 600 Ca 0.06 0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1va3 n PRO 600 Cb 0.38 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.01 1.17 -4.36 0.54 -0.58 -1.26 -5.04 120.64 109.09 1va3 n GLU 601 Ca 0.05 -0.06 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1va3 n GLU 601 Cb 0.35 -1.39 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.64 0.25 -1.57 0.00 -0.04 -1.26 -3.82 135.00 127.91 1va3 n PRO 603 Ca 0.01 0.04 -0.36 0.00 -0.04 0.00 0.00 63.50 63.14 1va3 n PRO 603 Cb 0.65 -1.62 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 1va3 n PRO 603 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1va3 n LYS 604 N -1.96 0.87 -4.36 0.54 4.76 -1.26 -4.73 118.16 112.03 1va3 n LYS 604 Ca 0.03 0.36 -0.21 0.00 -2.87 0.00 0.00 58.31 55.62 1va3 n LYS 604 Cb 0.42 -2.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.02 1va3 n LYS 604 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1va3 s ARG 605 N -3.51 1.35 0.04 1.97 0.52 -1.26 -2.71 118.95 115.35 1va3 s ARG 605 Ca 0.80 -1.53 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 1va3 s ARG 605 Cb -0.36 -1.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.78 1va3 s ARG 605 CO 0.43 0.25 -0.13 -0.06 0.02 0.00 0.00 175.30 175.81 1va3 s PHE 606 N -2.47 1.11 -0.37 -0.53 0.40 -0.07 -5.02 117.98 111.02 1va3 s PHE 606 Ca 0.20 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.23 1va3 s PHE 606 Cb -0.04 -0.66 0.60 0.00 0.51 0.00 0.00 43.02 43.44 1va3 s PHE 606 CO 0.08 0.02 1.71 -1.33 0.70 0.00 0.00 175.22 176.40 1va3 n MET 607 N 1.89 2.73 -3.81 0.44 2.81 -1.26 -3.81 117.12 116.10 1va3 n MET 607 Ca -0.18 -2.57 -0.05 0.00 -1.81 0.00 0.00 57.70 53.08 1va3 n MET 607 Cb 0.55 -2.04 -0.01 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.69 1.53 -0.03 0.03 3.00 -1.26 -5.06 118.95 114.47 1va3 s ARG 608 Ca 0.47 -0.87 0.10 0.00 0.00 0.00 0.00 55.73 55.43 1va3 s ARG 608 Cb 0.39 0.50 -0.15 0.00 0.00 0.00 0.00 34.95 35.69 1va3 s ARG 608 CO 0.11 -0.70 0.19 0.43 0.00 0.00 0.00 175.30 175.33 1va3 n SER 609 N -0.60 2.62 -0.05 0.23 7.64 -1.26 -4.19 113.62 118.00 1va3 n SER 609 Ca -0.05 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.72 1va3 n SER 609 Cb 0.60 1.34 -0.05 0.00 -1.01 0.00 0.00 64.21 65.09 1va3 n SER 609 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1va3 h ASP 610 N 0.00 0.26 0.06 6.43 3.58 -2.01 -2.49 116.42 122.26 1va3 h ASP 610 Ca -0.05 -0.18 -0.24 0.00 0.42 0.00 0.00 57.03 56.98 1va3 h ASP 610 Cb 0.68 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.67 1va3 h ASP 610 CO 0.00 0.37 -0.94 0.45 -2.88 0.00 0.00 179.24 176.24 1va3 h HIS 611 N 0.14 0.92 0.00 0.28 3.86 -2.01 -3.07 115.15 115.28 1va3 h HIS 611 Ca 0.06 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1va3 h HIS 611 Cb 0.20 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1va3 h HIS 611 CO -0.01 1.30 0.00 1.25 0.86 0.00 0.00 177.93 181.34 1va3 h LEU 612 N 0.38 0.00 -0.18 2.43 6.46 -1.71 -1.49 115.31 121.20 1va3 h LEU 612 Ca -0.10 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.51 1va3 h LEU 612 Cb 1.58 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1va3 h LEU 612 CO 0.18 0.00 -0.49 -1.28 -0.62 0.00 0.00 178.44 176.23 1va3 h SER 613 N 0.00 0.75 0.63 1.25 0.87 -1.34 -2.00 113.55 113.72 1va3 h SER 613 Ca 0.00 -0.58 -0.18 0.00 -1.23 0.00 0.00 61.79 59.80 1va3 h SER 613 Cb 0.01 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1va3 h SER 613 CO 0.00 1.20 -0.83 0.50 -0.53 0.00 0.00 176.83 177.17 1va3 h LYS 614 N 0.35 0.14 0.04 2.24 3.11 -1.41 -2.71 116.57 118.32 1va3 h LYS 614 Ca -0.01 -0.15 -0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1va3 h LYS 614 Cb 1.11 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 1va3 h LYS 614 CO 0.11 0.89 -0.02 1.25 -2.81 0.00 0.00 179.45 178.87 1va3 h HIS 615 N 0.08 -0.05 0.00 1.91 2.76 -1.41 -3.09 115.15 115.35 1va3 h HIS 615 Ca -0.03 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 1va3 h HIS 615 Cb 1.45 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 1va3 h HIS 615 CO 0.02 0.34 -0.23 0.82 -1.30 0.00 0.00 177.93 177.58 1va3 h ILE 616 N -0.45 1.15 -0.48 6.26 2.04 -1.44 -2.79 117.51 121.80 1va3 h ILE 616 Ca -0.01 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.10 1va3 h ILE 616 Cb 0.42 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1va3 h ILE 616 CO 0.01 0.23 0.23 0.11 0.00 0.00 0.00 178.15 178.72 1va3 h LYS 617 N 0.00 0.44 0.00 2.37 1.79 -1.40 -1.61 116.57 118.16 1va3 h LYS 617 Ca -0.00 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.35 1va3 h LYS 617 Cb 0.41 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1va3 h LYS 617 CO 0.03 0.29 -0.45 0.00 -1.08 0.00 0.00 179.45 178.24 1va3 h THR 618 N 0.45 1.08 -0.14 -0.16 1.03 -1.45 -2.87 112.91 110.85 1va3 h THR 618 Ca 0.21 -1.71 0.03 0.00 -0.01 0.00 0.00 66.41 64.93 1va3 h THR 618 Cb 0.13 1.99 -0.01 0.00 -1.07 0.00 0.00 68.15 69.19 1va3 h THR 618 CO -0.16 0.45 0.10 0.45 -0.01 0.00 0.00 175.52 176.35 1va3 h HIS 619 N 0.00 0.06 0.00 0.00 3.86 -1.04 -3.24 115.15 114.79 1va3 h HIS 619 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1va3 h HIS 619 Cb 0.95 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1va3 h HIS 619 CO 0.00 0.03 -0.26 1.96 0.86 0.00 0.00 177.93 180.52 1va3 h GLN 620 N 0.06 0.00 -4.47 2.45 4.20 -1.36 -3.49 115.11 112.50 1va3 h GLN 620 Ca 0.06 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.51 1va3 h GLN 620 Cb 0.18 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.74 1va3 h GLN 620 CO -0.01 0.00 -0.73 -0.80 -0.67 0.00 0.00 178.83 176.62 1va3 s ASN 621 N -4.88 0.76 -0.78 1.46 -0.87 -1.10 -5.11 114.94 104.42 1va3 s ASN 621 Ca -0.08 -0.52 -0.11 0.00 -1.57 0.00 0.00 52.86 50.58 1va3 s ASN 621 Cb 0.01 0.04 0.21 0.00 -0.02 0.00 0.00 41.25 41.49 1va3 s ASN 621 CO 0.11 -0.20 0.69 -0.75 -2.57 0.00 0.00 177.10 174.38 1va3 s LYS 622 N -1.49 3.35 0.00 -0.60 2.36 -1.26 -4.02 119.74 118.08 1va3 s LYS 622 Ca -0.10 -2.48 0.00 0.00 -2.55 0.00 0.00 55.97 50.83 1va3 s LYS 622 Cb -0.10 -4.26 0.00 0.00 -1.05 0.00 0.00 37.83 32.42 1va3 s LYS 622 CO 0.00 -1.26 0.01 1.63 1.55 0.00 0.00 175.35 177.27