#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 3.42 -2.73 1.64 5.02 -1.26 -4.73 118.16 119.52 1va3 n LYS 596 Ca 0.00 -3.71 -0.31 0.00 -2.02 0.00 0.00 58.31 52.27 1va3 n LYS 596 Cb 0.00 -3.04 -0.03 0.00 -0.02 0.00 0.00 35.03 31.94 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1va3 s PHE 597 N 1.45 3.47 -0.29 2.13 0.08 -1.26 -5.09 117.98 118.47 1va3 s PHE 597 Ca 0.43 1.13 -0.14 0.00 0.12 0.00 0.00 56.93 58.47 1va3 s PHE 597 Cb 0.01 -2.52 0.11 0.00 -0.57 0.00 0.00 43.02 40.06 1va3 s PHE 597 CO 0.01 -0.18 0.74 0.00 -0.10 0.00 0.00 175.22 175.68 1va3 s ALA 598 N -2.45 -2.05 0.07 5.36 0.00 -1.26 -4.43 121.76 117.00 1va3 s ALA 598 Ca 0.53 2.35 -0.31 0.00 0.00 0.00 0.00 51.96 54.53 1va3 s ALA 598 Cb -0.10 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1va3 s ALA 598 CO 0.32 -0.59 1.22 0.00 0.00 0.00 0.00 175.76 176.71 1va3 n PRO 600 N 3.91 0.46 -0.05 0.00 -0.04 -1.26 -3.29 135.00 134.72 1va3 n PRO 600 Ca 0.09 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1va3 n PRO 600 Cb 0.46 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.24 1.31 -4.36 0.54 -0.58 -1.26 -5.04 120.64 110.01 1va3 n GLU 601 Ca 0.14 -0.04 -0.19 0.00 -0.42 0.00 0.00 57.16 56.65 1va3 n GLU 601 Cb 0.20 -1.37 -0.10 0.00 -0.57 0.00 0.00 31.44 29.60 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 -0.58 0.27 -1.38 0.00 -0.04 -1.26 -4.21 135.00 127.79 1va3 n PRO 603 Ca -0.00 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 1va3 n PRO 603 Cb 0.65 -1.65 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 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 -3.16 2.05 0.02 0.54 1.02 -1.26 -4.86 119.74 114.09 1va3 s LYS 604 Ca 0.06 1.79 -0.01 0.00 0.02 0.00 0.00 55.97 57.82 1va3 s LYS 604 Cb 0.14 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.61 1va3 s LYS 604 CO 0.74 -1.91 0.00 1.03 -0.92 0.00 0.00 175.35 174.29 1va3 s ARG 605 N -3.92 0.34 -0.05 1.68 0.52 -1.26 -3.44 118.95 112.82 1va3 s ARG 605 Ca 0.75 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 55.40 1va3 s ARG 605 Cb -0.30 0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.32 1va3 s ARG 605 CO 0.46 -0.06 -0.06 -0.06 0.02 0.00 0.00 175.30 175.60 1va3 s PHE 606 N -1.44 0.91 0.61 -0.53 0.08 -1.26 -5.01 117.98 111.34 1va3 s PHE 606 Ca -0.16 -0.28 0.33 0.00 0.12 0.00 0.00 56.93 56.93 1va3 s PHE 606 Cb -0.10 -0.76 1.91 0.00 -0.57 0.00 0.00 43.02 43.51 1va3 s PHE 606 CO -0.01 -0.21 2.24 1.98 -0.10 0.00 0.00 175.22 179.12 1va3 h MET 607 N 7.13 0.00 -6.34 0.44 4.05 -1.92 -3.40 114.93 114.89 1va3 h MET 607 Ca -0.36 0.00 -0.46 0.00 -0.28 0.00 0.00 59.70 58.60 1va3 h MET 607 Cb 1.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1va3 h MET 607 CO 0.47 0.00 -0.33 1.03 0.23 0.00 0.00 176.91 178.31 1va3 s ARG 608 N -4.52 3.31 -0.06 0.39 1.81 -1.26 -3.89 118.95 114.73 1va3 s ARG 608 Ca -0.05 -0.74 0.09 0.00 -1.72 0.00 0.00 55.73 53.31 1va3 s ARG 608 Cb 0.14 -2.80 -0.13 0.00 -0.45 0.00 0.00 34.95 31.72 1va3 s ARG 608 CO 0.51 0.20 0.11 0.45 -0.68 0.00 0.00 175.30 175.89 1va3 n SER 609 N -1.61 2.74 -0.09 0.23 2.88 -1.26 -4.40 113.62 112.12 1va3 n SER 609 Ca -0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.42 1va3 n SER 609 Cb 0.57 1.02 -0.00 0.00 -0.75 0.00 0.00 64.21 65.05 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 0.21 0.29 -3.46 3.58 -1.98 -2.16 116.42 112.91 1va3 h ASP 610 Ca -0.15 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.23 1va3 h ASP 610 Cb 1.11 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 1va3 h ASP 610 CO 0.01 0.16 -0.37 0.45 -2.88 0.00 0.00 179.24 176.61 1va3 h HIS 611 N 0.31 0.15 -0.02 0.28 3.86 -2.00 -2.55 115.15 115.17 1va3 h HIS 611 Ca 0.13 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1va3 h HIS 611 Cb 0.05 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 1va3 h HIS 611 CO -0.10 0.49 0.10 -0.07 0.86 0.00 0.00 177.93 179.21 1va3 h LEU 612 N 0.11 0.00 -0.25 2.43 3.38 -1.59 -1.45 115.31 117.94 1va3 h LEU 612 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1va3 h LEU 612 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1va3 h LEU 612 CO 0.05 0.00 -0.15 0.77 0.09 0.00 0.00 178.44 179.20 1va3 h SER 613 N 0.00 0.57 0.61 -0.43 4.64 -1.37 -0.34 113.55 117.23 1va3 h SER 613 Ca 0.01 -0.43 -0.18 0.00 -0.47 0.00 0.00 61.79 60.72 1va3 h SER 613 Cb 0.21 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1va3 h SER 613 CO -0.00 0.87 -0.82 0.11 -0.87 0.00 0.00 176.83 176.13 1va3 h LYS 614 N 0.27 0.15 0.04 4.77 1.57 -1.45 -1.79 116.57 120.12 1va3 h LYS 614 Ca 0.05 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1va3 h LYS 614 Cb 0.68 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1va3 h LYS 614 CO 0.04 0.88 -0.02 1.25 -0.57 0.00 0.00 179.45 181.04 1va3 h HIS 615 N 0.09 -0.05 0.00 -1.35 2.76 -1.34 -3.00 115.15 112.25 1va3 h HIS 615 Ca -0.03 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 1va3 h HIS 615 Cb 1.42 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.38 1va3 h HIS 615 CO 0.02 0.45 -0.43 0.82 -1.30 0.00 0.00 177.93 177.49 1va3 h ILE 616 N -0.57 1.30 0.27 6.26 2.04 -1.14 -2.87 117.51 122.81 1va3 h ILE 616 Ca -0.01 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1va3 h ILE 616 Cb 0.52 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1va3 h ILE 616 CO 0.01 0.42 -0.17 0.11 0.00 0.00 0.00 178.15 178.52 1va3 h LYS 617 N 0.00 -0.41 0.00 2.37 1.57 -1.33 -2.31 116.57 116.47 1va3 h LYS 617 Ca -0.00 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1va3 h LYS 617 Cb 0.76 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1va3 h LYS 617 CO 0.06 -0.27 -0.18 0.00 -0.57 0.00 0.00 179.45 178.48 1va3 h THR 618 N -0.42 0.86 -0.78 -0.16 1.03 -1.50 -2.58 112.91 109.35 1va3 h THR 618 Ca -0.03 -0.70 0.08 0.00 -0.01 0.00 0.00 66.41 65.75 1va3 h THR 618 Cb 0.35 1.41 -0.05 0.00 -1.07 0.00 0.00 68.15 68.79 1va3 h THR 618 CO 0.03 0.18 0.51 0.45 -0.01 0.00 0.00 175.52 176.68 1va3 h HIS 619 N 0.00 0.81 -2.68 0.00 3.86 -1.18 -3.42 115.15 112.54 1va3 h HIS 619 Ca -0.00 0.02 -0.50 0.00 -1.16 0.00 0.00 60.37 58.73 1va3 h HIS 619 Cb 0.39 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1va3 h HIS 619 CO 0.00 0.41 -0.32 -0.65 0.86 0.00 0.00 177.93 178.23 1va3 s GLN 620 N -5.71 3.49 0.03 2.45 -1.52 -0.97 -5.12 119.66 112.32 1va3 s GLN 620 Ca -0.10 -0.43 -0.01 0.00 -1.95 0.00 0.00 55.36 52.87 1va3 s GLN 620 Cb 0.20 -2.80 -0.03 0.00 -0.22 0.00 0.00 33.01 30.16 1va3 s GLN 620 CO 0.78 0.34 -0.01 0.54 -0.25 0.00 0.00 175.29 176.68 1va3 s ASN 621 N -3.59 0.33 -0.47 5.90 4.22 -1.26 -4.96 114.94 115.11 1va3 s ASN 621 Ca 0.38 -0.69 -0.22 0.00 -2.14 0.00 0.00 52.86 50.19 1va3 s ASN 621 Cb -0.10 0.15 0.03 0.00 1.28 0.00 0.00 41.25 42.61 1va3 s ASN 621 CO 0.31 -0.44 0.73 -0.75 -2.04 0.00 0.00 177.10 174.91 1va3 s LYS 622 N -2.53 3.31 0.00 3.55 2.36 -1.26 -5.23 119.74 119.93 1va3 s LYS 622 Ca -0.06 -0.34 0.04 0.00 -2.55 0.00 0.00 55.97 53.07 1va3 s LYS 622 Cb -0.02 -3.98 0.03 0.00 -1.05 0.00 0.00 37.83 32.81 1va3 s LYS 622 CO -0.05 -1.14 0.63 1.17 1.55 0.00 0.00 175.35 177.51