#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 2.08 -3.90 -1.58 4.81 -1.26 -4.97 118.16 113.34 1va3 n LYS 596 Ca 0.00 -3.23 -0.11 0.00 -0.87 0.00 0.00 58.31 54.10 1va3 n LYS 596 Cb 0.00 -1.95 -0.11 0.00 0.02 0.00 0.00 35.03 32.99 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1va3 s PHE 597 N -3.33 0.10 -0.23 5.64 0.08 -1.26 -5.10 117.98 113.88 1va3 s PHE 597 Ca 0.49 -0.23 -0.26 0.00 0.12 0.00 0.00 56.93 57.05 1va3 s PHE 597 Cb 0.43 -0.09 0.10 0.00 -0.57 0.00 0.00 43.02 42.89 1va3 s PHE 597 CO 0.02 -0.23 0.86 0.00 -0.10 0.00 0.00 175.22 175.77 1va3 s ALA 598 N -1.27 -1.87 -0.10 5.36 0.00 -1.26 -4.34 121.76 118.27 1va3 s ALA 598 Ca -0.14 1.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.41 1va3 s ALA 598 Cb -0.08 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 1va3 s ALA 598 CO 0.01 -0.30 0.72 0.00 0.00 0.00 0.00 175.76 176.18 1va3 n PRO 600 N 4.21 0.82 -0.04 0.00 -0.04 -1.26 -3.31 135.00 135.38 1va3 n PRO 600 Ca -0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1va3 n PRO 600 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.06 1.63 -4.36 0.54 -0.58 -1.26 -5.05 120.64 110.50 1va3 n GLU 601 Ca 0.20 -0.04 -0.19 0.00 -0.42 0.00 0.00 57.16 56.72 1va3 n GLU 601 Cb 0.13 -1.30 -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 h PRO 603 N 2.23 0.00 -7.03 0.00 0.13 -1.97 -3.38 132.00 121.98 1va3 h PRO 603 Ca -0.36 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 1va3 h PRO 603 Cb 1.25 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.50 1va3 h PRO 603 CO 0.58 0.00 0.60 0.15 -0.23 0.00 0.00 178.00 179.09 1va3 s LYS 604 N -3.20 3.37 0.16 0.86 1.02 -1.26 -4.89 119.74 115.80 1va3 s LYS 604 Ca 0.05 2.16 0.07 0.00 0.02 0.00 0.00 55.97 58.27 1va3 s LYS 604 Cb 0.13 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1va3 s LYS 604 CO 0.74 -0.99 -0.15 1.03 -0.92 0.00 0.00 175.35 175.06 1va3 s ARG 605 N -2.78 1.19 0.05 1.68 0.52 -1.26 -3.63 118.95 114.72 1va3 s ARG 605 Ca 0.68 -1.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1va3 s ARG 605 Cb -0.38 -1.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.96 1va3 s ARG 605 CO 0.46 0.21 -0.07 -0.06 0.02 0.00 0.00 175.30 175.86 1va3 s PHE 606 N -2.38 0.64 -0.36 -0.53 0.08 -1.26 -5.04 117.98 109.13 1va3 s PHE 606 Ca 0.15 -0.61 0.09 0.00 0.12 0.00 0.00 56.93 56.68 1va3 s PHE 606 Cb -0.04 -0.39 0.68 0.00 -0.57 0.00 0.00 43.02 42.70 1va3 s PHE 606 CO 0.05 -0.13 1.70 -0.12 -0.10 0.00 0.00 175.22 176.62 1va3 n MET 607 N 1.13 3.54 -3.70 0.44 1.56 -1.26 -4.36 117.12 114.47 1va3 n MET 607 Ca -0.21 -2.76 -0.12 0.00 -0.27 0.00 0.00 57.70 54.34 1va3 n MET 607 Cb 0.56 -2.13 -0.13 0.00 2.15 0.00 0.00 33.22 33.67 1va3 n MET 607 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1va3 s ARG 608 N -2.71 0.21 0.30 2.12 1.81 -1.26 -5.03 118.95 114.39 1va3 s ARG 608 Ca 0.49 0.65 0.15 0.00 -1.72 0.00 0.00 55.73 55.30 1va3 s ARG 608 Cb 0.39 -0.07 0.36 0.00 -0.45 0.00 0.00 34.95 35.18 1va3 s ARG 608 CO 0.12 -0.21 1.58 1.03 -0.68 0.00 0.00 175.30 177.15 1va3 h SER 609 N 7.58 0.00 -0.27 0.23 0.87 -1.99 -3.18 113.55 116.80 1va3 h SER 609 Ca -0.31 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1va3 h SER 609 Cb 1.14 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 1va3 h SER 609 CO 0.28 0.53 0.16 0.44 -0.53 0.00 0.00 176.83 177.72 1va3 h ASP 610 N 0.00 0.27 0.28 6.23 5.19 -2.01 -2.38 116.42 124.01 1va3 h ASP 610 Ca -0.01 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1va3 h ASP 610 Cb 1.17 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 1va3 h ASP 610 CO 0.07 0.20 -0.36 -0.74 -3.12 0.00 0.00 179.24 175.29 1va3 h HIS 611 N 0.34 0.13 -0.01 4.55 2.76 -2.00 -2.51 115.15 118.42 1va3 h HIS 611 Ca 0.10 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1va3 h HIS 611 Cb -0.02 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 1va3 h HIS 611 CO -0.07 0.46 0.05 -0.07 -1.30 0.00 0.00 177.93 177.01 1va3 h LEU 612 N 0.10 0.00 -0.09 0.26 3.38 -1.40 -1.00 115.31 116.56 1va3 h LEU 612 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1va3 h LEU 612 Cb 0.68 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1va3 h LEU 612 CO 0.05 0.00 -0.46 0.28 0.09 0.00 0.00 178.44 178.40 1va3 h SER 613 N 0.00 0.56 0.58 -0.43 0.02 -1.38 -1.11 113.55 111.79 1va3 h SER 613 Ca 0.00 -0.65 -0.19 0.00 -0.84 0.00 0.00 61.79 60.12 1va3 h SER 613 Cb 0.11 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1va3 h SER 613 CO -0.00 1.12 -0.85 0.11 -1.14 0.00 0.00 176.83 176.07 1va3 h LYS 614 N 0.04 0.18 0.10 3.45 1.57 -1.44 -1.99 116.57 118.48 1va3 h LYS 614 Ca -0.03 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1va3 h LYS 614 Cb 1.11 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1va3 h LYS 614 CO 0.09 0.92 -0.05 1.25 -0.57 0.00 0.00 179.45 181.10 1va3 h HIS 615 N 0.10 -0.13 0.00 -1.35 2.76 -1.27 -3.18 115.15 112.08 1va3 h HIS 615 Ca -0.04 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 1va3 h HIS 615 Cb 1.46 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.45 1va3 h HIS 615 CO 0.03 0.38 -0.28 0.82 -1.30 0.00 0.00 177.93 177.58 1va3 h ILE 616 N -0.77 1.19 -0.39 6.26 2.04 -1.30 -2.85 117.51 121.69 1va3 h ILE 616 Ca -0.01 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1va3 h ILE 616 Cb 0.57 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1va3 h ILE 616 CO 0.02 0.27 0.15 0.11 0.00 0.00 0.00 178.15 178.71 1va3 h LYS 617 N 0.00 0.31 0.00 2.37 1.79 -1.40 -1.64 116.57 118.01 1va3 h LYS 617 Ca -0.00 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1va3 h LYS 617 Cb 0.50 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1va3 h LYS 617 CO 0.04 0.21 -0.43 0.00 -1.08 0.00 0.00 179.45 178.19 1va3 h THR 618 N 0.32 1.10 -0.28 -0.16 1.03 -1.50 -2.92 112.91 110.52 1va3 h THR 618 Ca 0.17 -1.57 0.06 0.00 -0.01 0.00 0.00 66.41 65.06 1va3 h THR 618 Cb 0.13 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 69.09 1va3 h THR 618 CO -0.16 0.42 0.19 0.45 -0.01 0.00 0.00 175.52 176.41 1va3 h HIS 619 N 0.00 0.13 -3.13 0.00 3.86 -1.07 -3.41 115.15 111.52 1va3 h HIS 619 Ca -0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1va3 h HIS 619 Cb 0.86 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.24 1va3 h HIS 619 CO 0.00 0.07 -0.12 1.14 0.86 0.00 0.00 177.93 179.88 1va3 s GLN 620 N -5.15 4.06 0.60 2.45 -2.07 -1.10 -4.92 119.66 113.53 1va3 s GLN 620 Ca -0.06 0.57 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 1va3 s GLN 620 Cb 0.18 -3.24 0.00 0.00 -1.09 0.00 0.00 33.01 28.87 1va3 s GLN 620 CO 0.70 0.65 0.00 0.09 -1.32 0.00 0.00 175.29 175.42 1va3 n ASN 621 N 1.83 -7.92 -4.48 12.60 3.02 -1.26 -4.79 115.26 114.26 1va3 n ASN 621 Ca -0.12 1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 55.61 1va3 n ASN 621 Cb 0.52 -4.91 -0.10 0.00 -0.61 0.00 0.00 39.78 34.67 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1va3 s LYS 622 N -4.74 3.14 0.00 3.52 2.20 -1.26 -4.96 119.74 117.64 1va3 s LYS 622 Ca 0.00 -0.88 0.13 0.00 -0.36 0.00 0.00 55.97 54.86 1va3 s LYS 622 Cb 0.00 -3.93 0.11 0.00 -1.51 0.00 0.00 37.83 32.50 1va3 s LYS 622 CO 0.00 -0.66 0.93 1.17 -0.36 0.00 0.00 175.35 176.42