#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 -1.92 -4.78 1.64 4.81 -1.26 -4.97 118.16 111.68 1va3 n LYS 596 Ca 0.00 0.90 -0.31 0.00 -0.87 0.00 0.00 58.31 58.03 1va3 n LYS 596 Cb 0.00 -5.55 -0.14 0.00 0.02 0.00 0.00 35.03 29.36 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 -2.93 2.46 -0.01 5.64 0.08 -1.26 -5.12 117.98 116.84 1va3 s PHE 597 Ca 0.01 -0.32 -0.30 0.00 0.12 0.00 0.00 56.93 56.44 1va3 s PHE 597 Cb -0.00 -1.44 0.11 0.00 -0.57 0.00 0.00 43.02 41.12 1va3 s PHE 597 CO 0.01 0.19 1.28 0.00 -0.10 0.00 0.00 175.22 176.61 1va3 s ALA 598 N -0.87 -2.29 0.23 5.36 0.00 -1.26 -3.77 121.76 119.16 1va3 s ALA 598 Ca 0.13 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1va3 s ALA 598 Cb -0.10 0.53 -0.10 0.00 0.00 0.00 0.00 23.12 23.44 1va3 s ALA 598 CO 0.04 -1.08 1.47 0.00 0.00 0.00 0.00 175.76 176.18 1va3 h PRO 600 N 5.36 0.00 -0.03 0.00 0.13 -2.00 -3.25 132.00 132.21 1va3 h PRO 600 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1va3 h PRO 600 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1va3 h PRO 600 CO 0.80 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 179.21 1va3 n GLU 601 N -3.22 0.47 -4.13 0.86 -0.58 -1.26 -5.03 120.64 107.75 1va3 n GLU 601 Ca 0.02 -1.12 -0.11 0.00 -0.42 0.00 0.00 57.16 55.53 1va3 n GLU 601 Cb 0.57 -1.18 -0.08 0.00 -0.57 0.00 0.00 31.44 30.18 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 -0.31 0.25 -1.68 0.00 -0.05 -1.26 -4.07 135.00 127.88 1va3 n PRO 603 Ca 0.01 0.13 -0.51 0.00 -0.05 0.00 0.00 63.50 63.08 1va3 n PRO 603 Cb 0.64 -1.71 -0.05 0.00 -0.05 0.00 0.00 33.50 32.33 1va3 n PRO 603 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1va3 n LYS 604 N -2.11 1.86 -4.46 0.54 4.01 -1.26 -4.78 118.16 111.96 1va3 n LYS 604 Ca 0.04 0.68 -0.22 0.00 -0.51 0.00 0.00 58.31 58.31 1va3 n LYS 604 Cb 0.43 -2.46 -0.11 0.00 -0.51 0.00 0.00 35.03 32.38 1va3 n LYS 604 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1va3 s ARG 605 N 3.32 1.65 0.28 1.97 0.52 -1.26 -1.11 118.95 124.32 1va3 s ARG 605 Ca 0.92 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1va3 s ARG 605 Cb -0.80 -0.98 -0.00 0.00 0.52 0.00 0.00 34.95 33.69 1va3 s ARG 605 CO 0.53 -0.13 0.36 1.19 0.02 0.00 0.00 175.30 177.27 1va3 n PHE 606 N -0.68 -1.12 0.07 -0.53 3.01 -1.25 -5.02 117.46 111.94 1va3 n PHE 606 Ca -0.03 -2.00 -0.11 0.00 1.01 0.00 0.00 57.45 56.32 1va3 n PHE 606 Cb 0.66 0.40 -0.13 0.00 -0.01 0.00 0.00 39.48 40.40 1va3 n PHE 606 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 1va3 h MET 607 N 0.00 0.11 0.00 -1.08 2.86 -2.01 -3.36 114.93 111.45 1va3 h MET 607 Ca -0.21 -0.19 -0.44 0.00 -2.06 0.00 0.00 59.70 56.80 1va3 h MET 607 Cb 0.97 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.59 1va3 h MET 607 CO 0.30 1.05 -0.41 0.54 1.06 0.00 0.00 176.91 179.45 1va3 n ARG 608 N -3.40 0.43 -1.10 1.72 3.00 -1.26 -0.69 116.66 115.35 1va3 n ARG 608 Ca -0.05 -2.95 -0.19 0.00 -0.01 0.00 0.00 57.85 54.65 1va3 n ARG 608 Cb 0.98 2.20 0.18 0.00 0.00 0.00 0.00 32.46 35.82 1va3 n ARG 608 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1va3 n SER 609 N -1.78 3.84 -0.12 0.55 7.64 -1.26 -4.21 113.62 118.28 1va3 n SER 609 Ca 0.04 -3.42 -0.26 0.00 1.01 0.00 0.00 58.87 56.24 1va3 n SER 609 Cb 0.53 -0.80 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 1va3 n SER 609 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1va3 n ASP 610 N -0.87 1.95 0.06 6.43 9.92 -1.26 -4.36 116.55 128.42 1va3 n ASP 610 Ca 0.52 0.27 -0.09 0.00 -0.53 0.00 0.00 54.79 54.96 1va3 n ASP 610 Cb 1.54 -0.79 -0.13 0.00 -0.64 0.00 0.00 41.12 41.11 1va3 n ASP 610 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 1va3 h HIS 611 N -0.76 0.12 -0.06 1.24 3.86 -2.02 -3.25 115.15 114.27 1va3 h HIS 611 Ca -0.59 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 58.55 1va3 h HIS 611 Cb 1.63 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.09 1va3 h HIS 611 CO -0.02 1.08 0.15 -0.07 0.86 0.00 0.00 177.93 179.93 1va3 h LEU 612 N 0.02 0.00 -1.09 2.43 3.38 -1.79 0.54 115.31 118.80 1va3 h LEU 612 Ca -0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1va3 h LEU 612 Cb 1.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1va3 h LEU 612 CO 0.14 0.00 -0.40 0.28 0.09 0.00 0.00 178.44 178.55 1va3 h SER 613 N 0.00 0.12 0.22 -0.43 0.02 -1.75 -1.77 113.55 109.95 1va3 h SER 613 Ca 0.03 -0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.75 1va3 h SER 613 Cb 0.34 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1va3 h SER 613 CO -0.00 0.51 -0.71 0.11 -1.14 0.00 0.00 176.83 175.60 1va3 h LYS 614 N 0.10 0.43 -0.10 3.45 6.56 -1.08 -1.90 116.57 124.03 1va3 h LYS 614 Ca 0.01 -0.34 -0.22 0.00 -1.06 0.00 0.00 60.65 59.04 1va3 h LYS 614 Cb 0.75 0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1va3 h LYS 614 CO 0.06 0.97 -0.82 1.25 -2.06 0.00 0.00 179.45 178.85 1va3 h HIS 615 N 0.30 0.87 -0.10 -1.35 2.76 -1.48 -2.82 115.15 113.33 1va3 h HIS 615 Ca -0.03 -0.40 -0.06 0.00 -2.20 0.00 0.00 60.37 57.68 1va3 h HIS 615 Cb 1.28 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 1va3 h HIS 615 CO 0.05 1.21 -0.16 0.82 -1.30 0.00 0.00 177.93 178.55 1va3 h ILE 616 N 0.41 1.39 -0.04 6.26 2.04 -1.34 -3.11 117.51 123.12 1va3 h ILE 616 Ca -0.06 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 1va3 h ILE 616 Cb 1.43 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1va3 h ILE 616 CO 0.16 0.40 -0.01 0.07 0.00 0.00 0.00 178.15 178.77 1va3 h LYS 617 N -0.16 0.06 -0.09 2.37 5.09 -1.43 -1.20 116.57 121.21 1va3 h LYS 617 Ca 0.01 -0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.66 1va3 h LYS 617 Cb 0.72 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 33.03 1va3 h LYS 617 CO 0.04 0.07 -0.31 1.79 -2.09 0.00 0.00 179.45 178.95 1va3 h THR 618 N 0.06 1.26 -0.00 0.07 1.35 -1.44 -3.05 112.91 111.15 1va3 h THR 618 Ca 0.01 -1.23 -0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1va3 h THR 618 Cb 0.06 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1va3 h THR 618 CO 0.00 0.36 0.00 0.45 -0.25 0.00 0.00 175.52 176.09 1va3 h HIS 619 N 0.15 0.01 -5.01 4.73 3.86 -1.15 -3.46 115.15 114.27 1va3 h HIS 619 Ca 0.02 -0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.84 1va3 h HIS 619 Cb 0.64 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1va3 h HIS 619 CO 0.01 0.09 -0.59 0.94 0.86 0.00 0.00 177.93 179.24 1va3 n GLN 620 N -5.05 -4.24 -0.06 2.45 7.27 -1.15 -4.84 117.38 111.76 1va3 n GLN 620 Ca -0.07 0.69 -0.06 0.00 0.07 0.00 0.00 57.00 57.63 1va3 n GLN 620 Cb 0.07 -5.48 -0.08 0.00 2.41 0.00 0.00 30.24 27.15 1va3 n GLN 620 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1va3 n ASN 621 N -2.42 2.41 -4.32 1.69 5.15 -1.26 -4.88 115.26 111.62 1va3 n ASN 621 Ca -0.06 -0.01 -0.45 0.00 -0.60 0.00 0.00 54.58 53.45 1va3 n ASN 621 Cb 0.58 0.60 -0.06 0.00 -0.53 0.00 0.00 39.78 40.38 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1va3 s LYS 622 N -2.27 2.96 0.00 1.20 -0.14 -1.26 -5.27 119.74 114.96 1va3 s LYS 622 Ca -0.08 -1.64 0.27 0.00 -1.36 0.00 0.00 55.97 53.16 1va3 s LYS 622 Cb 0.03 -4.24 0.74 0.00 -1.68 0.00 0.00 37.83 32.68 1va3 s LYS 622 CO 0.43 -1.26 1.57 0.36 -0.76 0.00 0.00 175.35 175.69