#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 0.85 -3.39 1.64 5.02 -1.26 -4.98 118.16 116.03 1va3 n LYS 596 Ca 0.00 -2.71 -0.22 0.00 -2.02 0.00 0.00 58.31 53.35 1va3 n LYS 596 Cb 0.00 -0.77 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.75 0.20 0.12 2.13 0.40 -1.26 -5.09 117.98 112.73 1va3 s PHE 597 Ca 0.32 -1.27 -0.00 0.00 -0.60 0.00 0.00 56.93 55.38 1va3 s PHE 597 Cb 0.36 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 43.26 1va3 s PHE 597 CO -0.11 -0.91 0.16 0.00 0.70 0.00 0.00 175.22 175.07 1va3 n ALA 598 N 4.02 -0.07 -2.42 5.36 0.00 -1.26 -1.28 120.51 124.86 1va3 n ALA 598 Ca 0.13 -0.59 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 1va3 n ALA 598 Cb 0.42 0.47 -0.14 0.00 0.00 0.00 0.00 19.45 20.20 1va3 n ALA 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va3 h PRO 600 N 5.41 0.00 0.00 0.00 0.13 -2.00 -3.31 132.00 132.23 1va3 h PRO 600 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 1va3 h PRO 600 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1va3 h PRO 600 CO 0.49 0.35 -1.00 0.93 -0.23 0.00 0.00 178.00 178.54 1va3 h GLU 601 N 0.00 0.00 -4.97 0.86 4.39 -1.98 -3.47 114.58 109.41 1va3 h GLU 601 Ca -0.04 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.24 1va3 h GLU 601 Cb 1.35 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.86 1va3 h GLU 601 CO 0.05 0.63 -0.58 0.00 -1.16 0.00 0.00 179.01 177.95 1va3 n PRO 603 N -0.62 0.07 -1.83 0.00 -0.04 -1.26 -4.30 135.00 127.02 1va3 n PRO 603 Ca -0.01 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1va3 n PRO 603 Cb 0.66 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 -3.04 4.14 0.23 0.54 -0.14 -1.26 -4.86 119.74 115.35 1va3 s LYS 604 Ca 0.10 2.53 0.12 0.00 -1.36 0.00 0.00 55.97 57.35 1va3 s LYS 604 Cb 0.17 -3.00 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 1va3 s LYS 604 CO 0.71 -0.53 -0.22 1.03 -0.76 0.00 0.00 175.35 175.59 1va3 s ARG 605 N -1.51 1.60 0.13 1.68 3.00 -1.26 -2.96 118.95 119.62 1va3 s ARG 605 Ca 0.56 -1.64 0.06 0.00 0.00 0.00 0.00 55.73 54.71 1va3 s ARG 605 Cb -0.46 -1.81 -0.04 0.00 0.00 0.00 0.00 34.95 32.64 1va3 s ARG 605 CO 0.57 0.37 -0.13 -0.06 0.00 0.00 0.00 175.30 176.05 1va3 s PHE 606 N -2.06 1.36 -0.39 -0.53 0.40 -0.41 -4.99 117.98 111.35 1va3 s PHE 606 Ca 0.25 -0.60 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 1va3 s PHE 606 Cb -0.07 -0.70 0.69 0.00 0.51 0.00 0.00 43.02 43.45 1va3 s PHE 606 CO 0.12 0.13 1.84 -1.33 0.70 0.00 0.00 175.22 176.69 1va3 n MET 607 N 0.38 2.77 -3.84 0.44 2.81 -1.26 -4.49 117.12 113.93 1va3 n MET 607 Ca -0.14 -3.05 -0.05 0.00 -1.81 0.00 0.00 57.70 52.64 1va3 n MET 607 Cb 0.58 -2.17 0.01 0.00 -0.71 0.00 0.00 33.22 30.94 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 -3.18 1.62 -0.07 0.03 3.00 -1.26 -5.07 118.95 114.02 1va3 s ARG 608 Ca 0.55 -1.02 0.07 0.00 0.00 0.00 0.00 55.73 55.34 1va3 s ARG 608 Cb 0.46 0.47 -0.10 0.00 0.00 0.00 0.00 34.95 35.77 1va3 s ARG 608 CO 0.11 -0.76 0.05 0.45 0.00 0.00 0.00 175.30 175.15 1va3 n SER 609 N -1.15 3.04 -0.07 0.23 2.88 -1.26 -4.06 113.62 113.22 1va3 n SER 609 Ca -0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.40 1va3 n SER 609 Cb 0.60 0.79 -0.02 0.00 -0.75 0.00 0.00 64.21 64.83 1va3 n SER 609 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1va3 h ASP 610 N 0.00 0.23 0.59 -3.46 3.04 -2.00 -0.86 116.42 113.96 1va3 h ASP 610 Ca -0.19 0.00 -0.28 0.00 -3.24 0.00 0.00 57.03 53.33 1va3 h ASP 610 Cb 1.34 -0.04 0.01 0.00 -1.04 0.00 0.00 39.33 39.59 1va3 h ASP 610 CO 0.01 0.17 -1.28 -0.74 -2.04 0.00 0.00 179.24 175.36 1va3 h HIS 611 N 0.30 0.54 0.00 4.15 2.76 -2.00 -3.21 115.15 117.69 1va3 h HIS 611 Ca 0.10 -0.39 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1va3 h HIS 611 Cb 0.00 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1va3 h HIS 611 CO -0.08 1.32 0.00 -0.11 -1.30 0.00 0.00 177.93 177.75 1va3 n LEU 612 N -3.55 0.48 0.12 0.26 0.00 -1.14 -2.20 117.00 110.97 1va3 n LEU 612 Ca -0.10 0.65 -0.20 0.00 0.00 0.00 0.00 56.01 56.36 1va3 n LEU 612 Cb 1.03 -0.62 -0.15 0.00 0.00 0.00 0.00 43.42 43.68 1va3 n LEU 612 CO 0.54 -0.61 -0.17 -1.28 0.00 0.00 0.00 177.39 175.88 1va3 h SER 613 N 0.00 0.61 0.63 1.96 0.87 -1.15 -3.20 113.55 113.27 1va3 h SER 613 Ca 0.00 -0.67 -0.18 0.00 -1.23 0.00 0.00 61.79 59.70 1va3 h SER 613 Cb 0.22 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1va3 h SER 613 CO 0.00 1.53 -0.83 0.11 -0.53 0.00 0.00 176.83 177.12 1va3 h LYS 614 N 0.11 0.14 -0.50 2.24 1.57 -1.55 -3.16 116.57 115.41 1va3 h LYS 614 Ca -0.20 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 1va3 h LYS 614 Cb 2.07 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.40 1va3 h LYS 614 CO 0.23 0.89 0.07 1.25 -0.57 0.00 0.00 179.45 181.32 1va3 h HIS 615 N 0.08 0.83 -0.00 -1.35 2.76 -1.58 -2.49 115.15 113.39 1va3 h HIS 615 Ca -0.03 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 57.93 1va3 h HIS 615 Cb 1.44 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 1va3 h HIS 615 CO 0.02 0.73 -0.54 0.82 -1.30 0.00 0.00 177.93 177.66 1va3 h ILE 616 N 0.75 1.39 -0.49 6.26 2.04 -1.55 -2.98 117.51 122.93 1va3 h ILE 616 Ca 0.16 -1.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1va3 h ILE 616 Cb 0.36 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1va3 h ILE 616 CO 0.01 0.53 0.20 0.11 0.00 0.00 0.00 178.15 178.99 1va3 h LYS 617 N 0.01 0.70 -0.01 2.37 1.57 -1.41 -1.82 116.57 117.98 1va3 h LYS 617 Ca -0.00 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1va3 h LYS 617 Cb 0.95 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1va3 h LYS 617 CO 0.07 0.57 -0.50 1.79 -0.57 0.00 0.00 179.45 180.81 1va3 h THR 618 N 0.69 1.36 -0.24 -0.16 1.35 -1.46 -3.11 112.91 111.34 1va3 h THR 618 Ca 0.17 -1.72 -0.06 0.00 -0.55 0.00 0.00 66.41 64.25 1va3 h THR 618 Cb 0.14 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1va3 h THR 618 CO -0.02 0.49 -0.07 0.45 -0.25 0.00 0.00 175.52 176.12 1va3 h HIS 619 N 0.01 0.55 -5.16 4.73 3.86 -1.34 -3.49 115.15 114.31 1va3 h HIS 619 Ca -0.00 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1va3 h HIS 619 Cb 0.89 -0.13 -0.09 0.00 1.06 0.00 0.00 27.41 29.14 1va3 h HIS 619 CO 0.00 0.72 -1.19 0.94 0.86 0.00 0.00 177.93 179.26 1va3 n GLN 620 N -4.54 -3.94 -1.00 2.45 7.27 -1.01 -4.95 117.38 111.66 1va3 n GLN 620 Ca -0.04 2.99 0.01 0.00 0.07 0.00 0.00 57.00 60.03 1va3 n GLN 620 Cb 0.31 -4.09 0.15 0.00 2.41 0.00 0.00 30.24 29.02 1va3 n GLN 620 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1va3 n ASN 621 N 1.91 2.14 -4.80 1.69 0.23 -1.26 -5.05 115.26 110.12 1va3 n ASN 621 Ca -0.29 -3.60 -0.38 0.00 -0.53 0.00 0.00 54.58 49.78 1va3 n ASN 621 Cb 0.44 -0.47 -0.06 0.00 -2.08 0.00 0.00 39.78 37.61 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1va3 s LYS 622 N -2.92 4.30 0.00 -3.83 2.20 -1.26 -5.28 119.74 112.95 1va3 s LYS 622 Ca 0.39 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1va3 s LYS 622 Cb 0.38 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1va3 s LYS 622 CO -0.06 0.56 0.00 0.36 -0.36 0.00 0.00 175.35 175.85