#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 1.91 -3.38 1.64 4.81 -1.26 -4.82 118.16 117.05 1va3 n LYS 596 Ca 0.00 -3.17 -0.19 0.00 -0.87 0.00 0.00 58.31 54.08 1va3 n LYS 596 Cb 0.00 -1.89 -0.09 0.00 0.02 0.00 0.00 35.03 33.08 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 -3.27 -0.17 0.35 5.64 0.40 -1.26 -4.99 117.98 114.68 1va3 s PHE 597 Ca 0.47 -0.83 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 1va3 s PHE 597 Cb 0.42 -0.49 -0.03 0.00 0.51 0.00 0.00 43.02 43.43 1va3 s PHE 597 CO 0.02 -0.94 0.24 0.00 0.70 0.00 0.00 175.22 175.23 1va3 s ALA 598 N 1.55 2.18 -0.13 5.36 0.00 -1.26 -1.95 121.76 127.49 1va3 s ALA 598 Ca 0.16 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1va3 s ALA 598 Cb -0.16 1.28 -0.03 0.00 0.00 0.00 0.00 23.12 24.21 1va3 s ALA 598 CO -0.08 -0.57 -0.06 0.00 0.00 0.00 0.00 175.76 175.04 1va3 h PRO 600 N 6.41 0.00 0.00 0.00 0.13 -2.00 -3.25 132.00 133.29 1va3 h PRO 600 Ca -0.33 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.63 1va3 h PRO 600 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1va3 h PRO 600 CO 0.59 0.00 -1.46 0.39 -0.23 0.00 0.00 178.00 177.29 1va3 n GLU 601 N -2.44 0.62 -4.35 0.86 1.02 -1.26 -4.98 120.64 110.11 1va3 n GLU 601 Ca 0.05 0.20 -0.20 0.00 -0.02 0.00 0.00 57.16 57.19 1va3 n GLU 601 Cb 0.45 -1.79 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 1va3 n GLU 601 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1va3 n PRO 603 N -0.63 0.20 -1.78 0.00 -0.04 -1.26 -4.37 135.00 127.12 1va3 n PRO 603 Ca 0.01 0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1va3 n PRO 603 Cb 0.65 -1.61 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -3.12 3.67 0.11 0.54 1.02 -1.26 -4.88 119.74 115.82 1va3 s LYS 604 Ca 0.07 2.44 0.06 0.00 0.02 0.00 0.00 55.97 58.56 1va3 s LYS 604 Cb 0.15 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1va3 s LYS 604 CO 0.73 -0.84 -0.15 1.03 -0.92 0.00 0.00 175.35 175.20 1va3 s ARG 605 N -2.46 1.00 0.19 1.68 0.52 -1.26 -3.15 118.95 115.47 1va3 s ARG 605 Ca 0.61 -1.17 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 1va3 s ARG 605 Cb -0.44 -0.97 -0.05 0.00 0.52 0.00 0.00 34.95 34.02 1va3 s ARG 605 CO 0.57 0.20 0.00 -0.06 0.02 0.00 0.00 175.30 176.03 1va3 s PHE 606 N -1.82 1.31 -0.54 -0.53 0.08 -0.82 -5.03 117.98 110.62 1va3 s PHE 606 Ca 0.06 -0.99 0.01 0.00 0.12 0.00 0.00 56.93 56.14 1va3 s PHE 606 Cb -0.07 -0.74 0.50 0.00 -0.57 0.00 0.00 43.02 42.14 1va3 s PHE 606 CO 0.03 -0.16 1.85 -1.33 -0.10 0.00 0.00 175.22 175.50 1va3 n MET 607 N -0.29 2.65 -3.64 0.44 2.81 -1.26 -4.38 117.12 113.44 1va3 n MET 607 Ca -0.06 -3.35 -0.05 0.00 -1.81 0.00 0.00 57.70 52.43 1va3 n MET 607 Cb 0.63 -2.22 -0.07 0.00 -0.71 0.00 0.00 33.22 30.85 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 -3.64 0.26 0.25 0.03 0.52 -1.26 -5.03 118.95 110.09 1va3 s ARG 608 Ca 0.60 0.33 0.17 0.00 -0.52 0.00 0.00 55.73 56.31 1va3 s ARG 608 Cb 0.48 0.12 0.06 0.00 0.52 0.00 0.00 34.95 36.13 1va3 s ARG 608 CO 0.02 -0.03 1.30 0.77 0.02 0.00 0.00 175.30 177.38 1va3 h SER 609 N 3.89 0.00 -0.39 0.23 0.02 -1.94 -3.30 113.55 112.06 1va3 h SER 609 Ca -0.28 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1va3 h SER 609 Cb 1.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 1va3 h SER 609 CO 0.15 0.38 0.12 0.44 -1.14 0.00 0.00 176.83 176.79 1va3 h ASP 610 N 0.00 0.11 0.35 3.07 3.32 -2.02 -1.81 116.42 119.44 1va3 h ASP 610 Ca -0.04 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1va3 h ASP 610 Cb 1.32 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 1va3 h ASP 610 CO 0.04 0.10 -0.49 -0.74 -1.72 0.00 0.00 179.24 176.43 1va3 h HIS 611 N 0.27 0.21 -0.07 4.55 2.76 -2.00 -2.73 115.15 118.14 1va3 h HIS 611 Ca 0.18 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1va3 h HIS 611 Cb 0.18 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 1va3 h HIS 611 CO -0.16 0.63 0.15 -0.07 -1.30 0.00 0.00 177.93 177.18 1va3 h LEU 612 N 0.14 0.00 -0.22 0.26 3.38 -1.41 -1.25 115.31 116.21 1va3 h LEU 612 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1va3 h LEU 612 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1va3 h LEU 612 CO 0.07 0.00 0.01 -1.28 0.09 0.00 0.00 178.44 177.34 1va3 h SER 613 N 0.00 0.36 0.65 -0.43 0.87 -1.29 0.31 113.55 114.03 1va3 h SER 613 Ca 0.03 -0.29 -0.18 0.00 -1.23 0.00 0.00 61.79 60.12 1va3 h SER 613 Cb 0.33 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1va3 h SER 613 CO -0.00 0.57 -0.83 0.11 -0.53 0.00 0.00 176.83 176.15 1va3 h LYS 614 N 0.15 0.12 -0.04 2.24 1.57 -1.43 -2.09 116.57 117.09 1va3 h LYS 614 Ca 0.06 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1va3 h LYS 614 Cb 0.37 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1va3 h LYS 614 CO 0.01 0.88 -0.33 1.25 -0.57 0.00 0.00 179.45 180.68 1va3 h HIS 615 N 0.07 0.42 -0.27 -1.35 2.76 -1.23 -2.93 115.15 112.62 1va3 h HIS 615 Ca -0.03 -0.20 -0.15 0.00 -2.20 0.00 0.00 60.37 57.79 1va3 h HIS 615 Cb 1.44 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.34 1va3 h HIS 615 CO 0.02 0.95 -0.42 0.82 -1.30 0.00 0.00 177.93 178.00 1va3 h ILE 616 N -0.23 1.30 -0.79 6.26 2.04 -0.46 -2.51 117.51 123.11 1va3 h ILE 616 Ca -0.03 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.24 1va3 h ILE 616 Cb 1.01 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1va3 h ILE 616 CO 0.07 0.52 0.51 0.07 0.00 0.00 0.00 178.15 179.32 1va3 h LYS 617 N 0.51 0.99 0.00 2.37 5.09 -1.49 -1.49 116.57 122.55 1va3 h LYS 617 Ca 0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 60.65 60.62 1va3 h LYS 617 Cb 1.02 -0.22 -0.01 0.00 0.10 0.00 0.00 32.23 33.11 1va3 h LYS 617 CO 0.10 0.66 -0.39 0.00 -2.09 0.00 0.00 179.45 177.72 1va3 h THR 618 N 1.02 1.11 -0.22 0.07 1.03 -1.51 -2.79 112.91 111.63 1va3 h THR 618 Ca 0.31 -1.43 0.06 0.00 -0.01 0.00 0.00 66.41 65.34 1va3 h THR 618 Cb -0.04 1.81 -0.01 0.00 -1.07 0.00 0.00 68.15 68.84 1va3 h THR 618 CO -0.09 0.39 0.19 0.45 -0.01 0.00 0.00 175.52 176.44 1va3 h HIS 619 N 0.00 0.00 -1.94 0.00 3.86 -0.80 -3.41 115.15 112.85 1va3 h HIS 619 Ca -0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.61 1va3 h HIS 619 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1va3 h HIS 619 CO 0.00 0.00 1.46 0.94 0.86 0.00 0.00 177.93 181.19 1va3 n GLN 620 N -4.09 1.98 -1.71 2.45 0.00 -1.05 -4.88 117.38 110.07 1va3 n GLN 620 Ca 0.02 0.57 -0.42 0.00 -0.00 0.00 0.00 57.00 57.17 1va3 n GLN 620 Cb 0.33 -3.15 -0.03 0.00 0.00 0.00 0.00 30.24 27.39 1va3 n GLN 620 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1va3 s ASN 621 N 7.83 6.46 -0.46 1.69 2.47 -1.26 -4.95 114.94 126.71 1va3 s ASN 621 Ca 1.00 2.67 0.03 0.00 0.42 0.00 0.00 52.86 56.98 1va3 s ASN 621 Cb -0.39 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.00 1va3 s ASN 621 CO 0.37 -1.03 0.24 -0.75 -3.72 0.00 0.00 177.10 172.21 1va3 s LYS 622 N 3.81 1.48 0.00 0.43 2.20 -1.26 -5.23 119.74 121.18 1va3 s LYS 622 Ca 0.85 -2.16 0.27 0.00 -0.36 0.00 0.00 55.97 54.56 1va3 s LYS 622 Cb -0.43 -2.64 0.78 0.00 -1.51 0.00 0.00 37.83 34.03 1va3 s LYS 622 CO 0.39 -1.14 1.60 1.17 -0.36 0.00 0.00 175.35 177.01