#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 -1.88 -3.44 -1.58 4.81 -1.26 -4.96 118.16 109.85 1va3 n LYS 596 Ca 0.00 0.79 -0.27 0.00 -0.87 0.00 0.00 58.31 57.97 1va3 n LYS 596 Cb 0.00 -5.24 -0.10 0.00 0.02 0.00 0.00 35.03 29.71 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1va3 n PHE 597 N -4.07 -0.36 -4.23 5.64 3.01 -1.26 -5.11 117.46 111.08 1va3 n PHE 597 Ca -0.18 -3.45 -0.11 0.00 1.01 0.00 0.00 57.45 54.73 1va3 n PHE 597 Cb 0.64 0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 40.20 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1va3 n ALA 598 N 2.62 0.21 -2.64 4.37 0.00 -1.26 -0.86 120.51 122.94 1va3 n ALA 598 Ca 0.28 -0.83 -0.34 0.00 0.00 0.00 0.00 53.44 52.55 1va3 n ALA 598 Cb 0.47 0.53 -0.10 0.00 0.00 0.00 0.00 19.45 20.34 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 5.01 0.00 0.00 0.00 0.13 -2.00 -3.30 132.00 131.83 1va3 h PRO 600 Ca -0.50 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 1va3 h PRO 600 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1va3 h PRO 600 CO 0.54 0.15 -1.26 0.93 -0.23 0.00 0.00 178.00 178.13 1va3 h GLU 601 N 0.00 0.00 -5.01 0.86 5.08 -1.98 -3.48 114.58 110.05 1va3 h GLU 601 Ca -0.01 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.91 1va3 h GLU 601 Cb 1.14 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.25 1va3 h GLU 601 CO 0.02 0.48 -0.58 0.00 -1.00 0.00 0.00 179.01 177.93 1va3 n PRO 603 N -0.64 0.63 -1.29 0.00 -0.04 -1.26 -4.27 135.00 128.13 1va3 n PRO 603 Ca -0.02 -0.37 -0.34 0.00 -0.04 0.00 0.00 63.50 62.74 1va3 n PRO 603 Cb 0.66 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.73 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 -2.63 1.94 0.02 0.54 -0.14 -1.26 -4.87 119.74 113.34 1va3 s LYS 604 Ca 0.21 1.71 0.02 0.00 -1.36 0.00 0.00 55.97 56.55 1va3 s LYS 604 Cb 0.19 -1.82 -0.02 0.00 -1.68 0.00 0.00 37.83 34.51 1va3 s LYS 604 CO 0.57 -1.98 -0.07 1.03 -0.76 0.00 0.00 175.35 174.13 1va3 s ARG 605 N -4.08 0.53 0.19 1.68 3.00 -1.26 -2.74 118.95 116.27 1va3 s ARG 605 Ca 0.73 -0.53 0.10 0.00 0.00 0.00 0.00 55.73 56.03 1va3 s ARG 605 Cb -0.28 -0.41 -0.04 0.00 0.00 0.00 0.00 34.95 34.22 1va3 s ARG 605 CO 0.48 0.09 -0.21 -0.06 0.00 0.00 0.00 175.30 175.60 1va3 s PHE 606 N -0.82 2.11 -0.45 -0.53 0.40 -0.04 -5.00 117.98 113.66 1va3 s PHE 606 Ca -0.04 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1va3 s PHE 606 Cb -0.07 -1.03 0.61 0.00 0.51 0.00 0.00 43.02 43.04 1va3 s PHE 606 CO 0.00 0.45 1.84 -0.12 0.70 0.00 0.00 175.22 178.10 1va3 n MET 607 N 0.19 2.26 -3.81 0.44 1.56 -1.26 -4.35 117.12 112.14 1va3 n MET 607 Ca -0.12 -3.10 -0.03 0.00 -0.27 0.00 0.00 57.70 54.18 1va3 n MET 607 Cb 0.57 -2.13 0.02 0.00 2.15 0.00 0.00 33.22 33.83 1va3 n MET 607 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1va3 n ARG 608 N -1.11 0.60 -0.04 2.12 1.85 -1.26 -4.90 116.66 113.92 1va3 n ARG 608 Ca 0.55 -1.39 -0.04 0.00 -1.00 0.00 0.00 57.85 55.97 1va3 n ARG 608 Cb 1.43 1.90 -0.05 0.00 -1.05 0.00 0.00 32.46 34.69 1va3 n ARG 608 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1va3 n SER 609 N -1.26 3.23 -0.08 2.89 2.88 -1.26 -4.09 113.62 115.93 1va3 n SER 609 Ca -0.02 -0.01 -0.08 0.00 -1.33 0.00 0.00 58.87 57.43 1va3 n SER 609 Cb 0.57 0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 64.56 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 0.23 0.53 -3.46 1.82 -2.00 -0.74 116.42 112.80 1va3 h ASP 610 Ca -0.20 0.01 -0.26 0.00 -0.39 0.00 0.00 57.03 56.19 1va3 h ASP 610 Cb 1.42 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.40 1va3 h ASP 610 CO 0.00 0.17 -1.15 0.45 -1.61 0.00 0.00 179.24 177.10 1va3 h HIS 611 N 0.31 0.54 0.00 0.28 3.86 -2.00 -3.16 115.15 114.98 1va3 h HIS 611 Ca 0.11 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1va3 h HIS 611 Cb 0.02 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1va3 h HIS 611 CO -0.09 1.24 0.00 -0.11 0.86 0.00 0.00 177.93 179.83 1va3 n LEU 612 N -3.61 0.49 0.10 2.43 0.00 -1.10 -2.14 117.00 113.16 1va3 n LEU 612 Ca -0.08 0.65 -0.16 0.00 0.00 0.00 0.00 56.01 56.42 1va3 n LEU 612 Cb 0.96 -0.62 -0.14 0.00 0.00 0.00 0.00 43.42 43.62 1va3 n LEU 612 CO 0.53 -0.61 -0.11 -1.28 0.00 0.00 0.00 177.39 175.93 1va3 h SER 613 N 0.00 0.42 0.61 1.96 0.87 -1.09 -3.08 113.55 113.24 1va3 h SER 613 Ca 0.00 -0.47 -0.18 0.00 -1.23 0.00 0.00 61.79 59.91 1va3 h SER 613 Cb 0.23 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1va3 h SER 613 CO 0.00 1.37 -0.82 0.11 -0.53 0.00 0.00 176.83 176.96 1va3 h LYS 614 N 0.07 0.15 -0.39 2.24 1.79 -1.53 -2.67 116.57 116.23 1va3 h LYS 614 Ca -0.16 -0.15 -0.11 0.00 -2.18 0.00 0.00 60.65 58.05 1va3 h LYS 614 Cb 1.98 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.66 1va3 h LYS 614 CO 0.20 0.88 -0.19 1.25 -1.08 0.00 0.00 179.45 180.51 1va3 h HIS 615 N 0.09 0.94 -0.06 -1.35 2.76 -1.59 -3.03 115.15 112.90 1va3 h HIS 615 Ca -0.03 -0.23 -0.12 0.00 -2.20 0.00 0.00 60.37 57.78 1va3 h HIS 615 Cb 1.42 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1va3 h HIS 615 CO 0.02 0.99 -0.53 0.82 -1.30 0.00 0.00 177.93 177.93 1va3 h ILE 616 N 0.62 1.37 -0.05 6.26 2.04 -1.57 -2.90 117.51 123.28 1va3 h ILE 616 Ca 0.09 -1.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 1va3 h ILE 616 Cb 0.74 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1va3 h ILE 616 CO 0.06 0.53 -0.01 0.11 0.00 0.00 0.00 178.15 178.83 1va3 h LYS 617 N 0.13 0.07 0.01 2.37 1.57 -1.36 -1.52 116.57 117.83 1va3 h LYS 617 Ca 0.00 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1va3 h LYS 617 Cb 0.97 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1va3 h LYS 617 CO 0.08 0.09 -0.94 1.79 -0.57 0.00 0.00 179.45 179.90 1va3 h THR 618 N 0.07 1.65 0.00 -0.16 1.35 -1.44 -3.21 112.91 111.17 1va3 h THR 618 Ca 0.02 -3.15 -0.02 0.00 -0.55 0.00 0.00 66.41 62.71 1va3 h THR 618 Cb 0.07 2.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1va3 h THR 618 CO 0.00 0.90 -0.08 0.45 -0.25 0.00 0.00 175.52 176.55 1va3 h HIS 619 N 0.01 0.00 -3.45 4.73 3.86 -1.21 -3.41 115.15 115.68 1va3 h HIS 619 Ca -0.02 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.66 1va3 h HIS 619 Cb 1.65 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.09 1va3 h HIS 619 CO 0.00 0.08 0.25 -0.65 0.86 0.00 0.00 177.93 178.47 1va3 s GLN 620 N -4.88 4.55 -0.00 2.45 -0.21 -1.16 -4.95 119.66 115.46 1va3 s GLN 620 Ca -0.05 1.22 -0.05 0.00 0.02 0.00 0.00 55.36 56.50 1va3 s GLN 620 Cb 0.16 -3.40 -0.02 0.00 1.00 0.00 0.00 33.01 30.75 1va3 s GLN 620 CO 0.68 0.16 -0.11 0.09 -2.12 0.00 0.00 175.29 173.99 1va3 n ASN 621 N 3.20 1.26 -4.62 5.90 3.02 -1.26 -4.97 115.26 117.79 1va3 n ASN 621 Ca 0.01 0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 54.32 1va3 n ASN 621 Cb 0.50 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1va3 s LYS 622 N -2.26 3.53 0.00 3.52 -0.14 -1.26 -5.21 119.74 117.91 1va3 s LYS 622 Ca -0.09 1.99 0.00 0.00 -1.36 0.00 0.00 55.97 56.50 1va3 s LYS 622 Cb 0.02 -4.23 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1va3 s LYS 622 CO 0.14 -1.64 0.00 1.63 -0.76 0.00 0.00 175.35 174.72