#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 0.65 0.12 1.97 4.76 -1.26 -4.85 118.16 119.55 1va3 n LYS 596 Ca 0.00 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1va3 n LYS 596 Cb 0.00 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1va3 n PHE 597 N -2.43 -2.20 -1.40 2.13 3.72 -1.26 -5.10 117.46 110.91 1va3 n PHE 597 Ca -0.07 0.42 0.18 0.00 -0.05 0.00 0.00 57.45 57.93 1va3 n PHE 597 Cb 0.65 0.75 -0.07 0.00 -0.94 0.00 0.00 39.48 39.86 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va3 n ALA 598 N -3.28 -3.65 -3.37 4.37 0.00 -1.26 -4.81 120.51 108.51 1va3 n ALA 598 Ca 0.00 0.71 -0.36 0.00 0.00 0.00 0.00 53.44 53.79 1va3 n ALA 598 Cb 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.90 1va3 n ALA 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va3 n PRO 600 N 4.81 0.61 -0.62 0.00 -0.04 -1.26 -2.99 135.00 135.50 1va3 n PRO 600 Ca -0.16 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1va3 n PRO 600 Cb 0.49 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.13 3.76 -3.84 0.54 -0.58 -1.26 -5.01 120.64 113.13 1va3 n GLU 601 Ca 0.16 -2.94 0.03 0.00 -0.42 0.00 0.00 57.16 53.99 1va3 n GLU 601 Cb 0.14 -1.99 0.01 0.00 -0.57 0.00 0.00 31.44 29.03 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 -0.76 0.22 -0.71 0.00 -0.04 -1.26 -4.70 135.00 127.75 1va3 n PRO 603 Ca -0.01 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 1va3 n PRO 603 Cb 0.60 -1.63 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 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 -3.13 0.92 0.02 0.54 -0.14 -1.26 -4.99 119.74 111.69 1va3 s LYS 604 Ca 0.07 1.48 0.01 0.00 -1.36 0.00 0.00 55.97 56.18 1va3 s LYS 604 Cb 0.15 -1.72 -0.01 0.00 -1.68 0.00 0.00 37.83 34.56 1va3 s LYS 604 CO 0.72 -2.68 -0.05 1.03 -0.76 0.00 0.00 175.35 173.61 1va3 s ARG 605 N -4.65 0.38 0.04 1.68 0.52 -1.26 -3.90 118.95 111.77 1va3 s ARG 605 Ca 0.67 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.53 1va3 s ARG 605 Cb -0.23 -0.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.98 1va3 s ARG 605 CO 0.58 0.05 -0.23 -0.06 0.02 0.00 0.00 175.30 175.66 1va3 s PHE 606 N -0.74 2.03 -0.41 -0.53 0.40 -1.26 -5.02 117.98 112.46 1va3 s PHE 606 Ca -0.05 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1va3 s PHE 606 Cb -0.06 -1.22 0.60 0.00 0.51 0.00 0.00 43.02 42.85 1va3 s PHE 606 CO -0.00 0.09 1.83 -0.12 0.70 0.00 0.00 175.22 177.72 1va3 n MET 607 N 1.89 2.13 -3.77 0.44 1.56 -1.26 -4.35 117.12 113.76 1va3 n MET 607 Ca -0.17 -2.70 -0.01 0.00 -0.27 0.00 0.00 57.70 54.54 1va3 n MET 607 Cb 0.53 -2.06 -0.00 0.00 2.15 0.00 0.00 33.22 33.84 1va3 n MET 607 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 1va3 s ARG 608 N -2.97 0.94 -0.06 2.12 3.52 -1.26 -5.03 118.95 116.22 1va3 s ARG 608 Ca 0.51 -0.55 0.11 0.00 -0.13 0.00 0.00 55.73 55.66 1va3 s ARG 608 Cb 0.43 0.30 -0.16 0.00 -1.56 0.00 0.00 34.95 33.96 1va3 s ARG 608 CO 0.10 -0.44 0.15 -1.13 -0.81 0.00 0.00 175.30 173.17 1va3 n SER 609 N -0.71 2.32 -0.07 -2.12 3.41 -1.26 -4.09 113.62 111.10 1va3 n SER 609 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.47 1va3 n SER 609 Cb 0.61 1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 65.70 1va3 n SER 609 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1va3 h ASP 610 N 0.00 0.25 0.45 4.04 3.58 -2.01 -2.13 116.42 120.61 1va3 h ASP 610 Ca -0.15 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.05 1va3 h ASP 610 Cb 1.10 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 42.10 1va3 h ASP 610 CO 0.01 0.19 -1.13 0.45 -2.88 0.00 0.00 179.24 175.88 1va3 h HIS 611 N 0.32 0.61 0.00 0.28 3.86 -2.00 -3.16 115.15 115.06 1va3 h HIS 611 Ca 0.11 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1va3 h HIS 611 Cb -0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1va3 h HIS 611 CO -0.08 1.26 0.00 1.25 0.86 0.00 0.00 177.93 181.22 1va3 h LEU 612 N 0.16 0.00 -0.25 2.43 6.46 -1.67 -1.48 115.31 120.96 1va3 h LEU 612 Ca -0.12 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.45 1va3 h LEU 612 Cb 1.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.74 1va3 h LEU 612 CO 0.19 0.00 -0.57 -1.28 -0.62 0.00 0.00 178.44 176.16 1va3 h SER 613 N 0.00 0.94 0.62 1.25 0.87 -1.35 -1.52 113.55 114.37 1va3 h SER 613 Ca 0.00 -0.55 -0.18 0.00 -1.23 0.00 0.00 61.79 59.82 1va3 h SER 613 Cb 0.02 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1va3 h SER 613 CO 0.00 1.32 -0.83 0.50 -0.53 0.00 0.00 176.83 177.30 1va3 h LYS 614 N 0.60 0.14 0.01 2.24 1.63 -1.43 -2.37 116.57 117.39 1va3 h LYS 614 Ca 0.00 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1va3 h LYS 614 Cb 1.19 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1va3 h LYS 614 CO 0.13 0.89 -0.01 1.25 -3.45 0.00 0.00 179.45 178.26 1va3 h HIS 615 N 0.08 -0.01 -0.00 1.91 2.76 -1.43 -3.03 115.15 115.42 1va3 h HIS 615 Ca -0.03 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1va3 h HIS 615 Cb 1.44 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 1va3 h HIS 615 CO 0.02 0.50 -0.30 0.82 -1.30 0.00 0.00 177.93 177.67 1va3 h ILE 616 N -0.53 1.22 -0.57 6.26 2.04 -1.36 -2.59 117.51 121.97 1va3 h ILE 616 Ca -0.00 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1va3 h ILE 616 Cb 0.52 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1va3 h ILE 616 CO 0.00 0.29 0.22 0.11 0.00 0.00 0.00 178.15 178.77 1va3 h LYS 617 N 0.00 0.83 -0.00 2.37 1.57 -1.41 -2.14 116.57 117.79 1va3 h LYS 617 Ca -0.00 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1va3 h LYS 617 Cb 0.53 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1va3 h LYS 617 CO 0.04 0.69 -0.66 1.79 -0.57 0.00 0.00 179.45 180.74 1va3 h THR 618 N 0.82 1.47 -0.45 -0.16 1.35 -1.34 -3.07 112.91 111.53 1va3 h THR 618 Ca 0.19 -2.25 0.02 0.00 -0.55 0.00 0.00 66.41 63.82 1va3 h THR 618 Cb 0.18 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1va3 h THR 618 CO -0.02 0.64 0.30 0.45 -0.25 0.00 0.00 175.52 176.65 1va3 h HIS 619 N 0.00 0.51 -2.94 4.73 3.86 -1.21 -3.41 115.15 116.70 1va3 h HIS 619 Ca -0.01 0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1va3 h HIS 619 Cb 1.16 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 1va3 h HIS 619 CO 0.00 0.31 0.81 -0.65 0.86 0.00 0.00 177.93 179.26 1va3 s GLN 620 N -5.48 4.30 0.74 2.45 -0.21 -1.16 -5.02 119.66 115.26 1va3 s GLN 620 Ca -0.08 1.91 -0.11 0.00 0.02 0.00 0.00 55.36 57.10 1va3 s GLN 620 Cb 0.18 -3.57 0.17 0.00 1.00 0.00 0.00 33.01 30.79 1va3 s GLN 620 CO 0.73 -0.55 1.00 0.09 -2.12 0.00 0.00 175.29 174.44 1va3 n ASN 621 N 5.33 0.21 -4.52 5.90 4.13 -1.26 -5.02 115.26 120.03 1va3 n ASN 621 Ca 0.13 -1.45 -0.42 0.00 1.68 0.00 0.00 54.58 54.52 1va3 n ASN 621 Cb 0.44 -0.75 -0.08 0.00 -1.54 0.00 0.00 39.78 37.85 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1va3 s LYS 622 N -5.16 3.35 0.00 3.52 2.20 -1.26 -5.17 119.74 117.22 1va3 s LYS 622 Ca 0.58 -0.43 0.14 0.00 -0.36 0.00 0.00 55.97 55.90 1va3 s LYS 622 Cb -0.02 -3.90 0.11 0.00 -1.51 0.00 0.00 37.83 32.51 1va3 s LYS 622 CO 0.40 -0.82 0.95 1.63 -0.36 0.00 0.00 175.35 177.15