#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va2 s PRO 566 N 0.00 2.70 -0.48 5.56 0.04 -1.26 -3.46 135.00 138.10 1va2 s PRO 566 Ca 0.00 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1va2 s PRO 566 Cb 0.00 -4.40 0.13 0.00 0.04 0.00 0.00 34.50 30.27 1va2 s PRO 566 CO 0.00 -2.61 0.23 -0.06 0.04 0.00 0.00 177.00 174.60 1va2 s PHE 567 N 9.44 2.80 -0.17 0.56 0.40 0.23 -4.94 117.98 126.29 1va2 s PHE 567 Ca 0.84 -2.89 -0.27 0.00 -0.60 0.00 0.00 56.93 54.01 1va2 s PHE 567 Cb -0.19 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 1va2 s PHE 567 CO 0.27 -0.77 0.92 1.41 0.70 0.00 0.00 175.22 177.76 1va2 s MET 568 N 0.04 4.32 0.65 0.44 1.75 -1.26 -1.36 119.30 123.88 1va2 s MET 568 Ca 0.17 1.19 -0.17 0.00 -1.25 0.00 0.00 55.69 55.63 1va2 s MET 568 Cb -0.25 -3.58 -0.00 0.00 2.84 0.00 0.00 34.83 33.83 1va2 s MET 568 CO -0.01 -0.40 1.20 0.00 -0.65 0.00 0.00 175.02 175.16 1va2 h THR 570 N 0.35 0.00 -1.50 0.00 1.35 -1.95 -3.43 112.91 107.72 1va2 h THR 570 Ca -0.49 -0.56 -0.40 0.00 -0.55 0.00 0.00 66.41 64.41 1va2 h THR 570 Cb 1.29 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1va2 h THR 570 CO 0.53 0.00 1.28 0.26 -0.25 0.00 0.00 175.52 177.34 1va2 s TRP 571 N -3.46 1.31 0.19 4.73 0.51 -1.26 -4.82 118.94 116.14 1va2 s TRP 571 Ca 0.04 1.31 -0.12 0.00 -2.12 0.00 0.00 56.10 55.21 1va2 s TRP 571 Cb 0.08 -3.75 0.21 0.00 -0.81 0.00 0.00 33.47 29.20 1va2 s TRP 571 CO 0.55 -2.28 1.73 1.03 -0.51 0.00 0.00 176.95 177.46 1va2 h SER 572 N 16.71 0.09 -0.13 2.95 0.87 -2.02 0.98 113.55 133.02 1va2 h SER 572 Ca -0.19 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1va2 h SER 572 Cb 1.18 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1va2 h SER 572 CO 1.16 0.07 0.24 1.88 -0.53 0.00 0.00 176.83 179.66 1va2 h TYR 573 N 0.30 0.00 0.00 2.24 -1.99 -1.98 -1.89 116.97 113.65 1va2 h TYR 573 Ca 0.26 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 1va2 h TYR 573 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1va2 h TYR 573 CO -0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 178.16 177.96 1va2 n GLY 575 N 1.52 -0.08 3.90 0.00 0.00 -0.71 -4.94 105.19 104.88 1va2 n GLY 575 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1va2 n GLY 575 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1va2 s LYS 576 N -4.56 3.17 0.32 1.61 2.20 -1.26 -5.08 119.74 116.14 1va2 s LYS 576 Ca 0.00 -0.92 0.09 0.00 -0.36 0.00 0.00 55.97 54.78 1va2 s LYS 576 Cb 0.00 -2.72 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 1va2 s LYS 576 CO 0.00 0.40 0.03 1.03 -0.36 0.00 0.00 175.35 176.46 1va2 s ARG 577 N -3.92 2.19 0.11 4.03 0.52 -1.26 -3.52 118.95 117.11 1va2 s ARG 577 Ca 0.34 -1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 1va2 s ARG 577 Cb -0.08 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 1va2 s ARG 577 CO 0.27 0.19 0.08 -0.06 0.02 0.00 0.00 175.30 175.80 1va2 s PHE 578 N -2.44 0.66 -0.59 -0.53 0.40 -0.46 -4.95 117.98 110.07 1va2 s PHE 578 Ca 0.35 -1.08 0.14 0.00 -0.60 0.00 0.00 56.93 55.74 1va2 s PHE 578 Cb -0.03 -0.37 -0.17 0.00 0.51 0.00 0.00 43.02 42.97 1va2 s PHE 578 CO 0.20 -0.52 0.58 2.41 0.70 0.00 0.00 175.22 178.59 1va2 n THR 579 N -0.06 0.00 -4.03 0.64 -1.04 -1.22 -0.60 114.28 107.97 1va2 n THR 579 Ca -0.08 -0.18 -0.12 0.00 -2.04 0.00 0.00 64.05 61.62 1va2 n THR 579 Cb 0.63 0.88 -0.13 0.00 -1.82 0.00 0.00 70.33 69.89 1va2 n THR 579 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1va2 s ARG 580 N -2.47 0.34 0.11 -2.82 1.81 -1.26 -4.31 118.95 110.35 1va2 s ARG 580 Ca 0.04 -0.43 -0.15 0.00 -1.72 0.00 0.00 55.73 53.47 1va2 s ARG 580 Cb 0.11 -0.16 -0.06 0.00 -0.45 0.00 0.00 34.95 34.39 1va2 s ARG 580 CO 0.60 0.03 1.47 1.03 -0.68 0.00 0.00 175.30 177.75 1va2 h SER 581 N 5.24 0.71 -0.86 0.23 0.87 -1.93 -3.01 113.55 114.80 1va2 h SER 581 Ca -0.30 -0.41 0.19 0.00 -1.23 0.00 0.00 61.79 60.03 1va2 h SER 581 Cb 1.20 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.90 1va2 h SER 581 CO 0.45 0.97 0.57 -0.78 -0.53 0.00 0.00 176.83 177.51 1va2 h ASP 582 N 0.46 0.41 0.21 6.23 1.82 -2.00 -1.73 116.42 121.82 1va2 h ASP 582 Ca 0.07 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1va2 h ASP 582 Cb 0.71 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.65 1va2 h ASP 582 CO 0.05 0.18 -0.29 -0.08 -1.61 0.00 0.00 179.24 177.49 1va2 h GLU 583 N 0.42 -0.55 -0.98 0.28 4.57 -1.96 -1.82 114.58 114.55 1va2 h GLU 583 Ca 0.44 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.78 1va2 h GLU 583 Cb 1.06 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.70 1va2 h GLU 583 CO -0.16 -0.36 0.62 -0.07 -1.18 0.00 0.00 179.01 177.85 1va2 h LEU 584 N -0.57 0.89 0.45 1.64 4.07 -1.41 1.72 115.31 122.10 1va2 h LEU 584 Ca 0.01 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1va2 h LEU 584 Cb 0.55 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1va2 h LEU 584 CO -0.11 0.48 -0.32 1.56 -1.08 0.00 0.00 178.44 178.97 1va2 h GLN 585 N 0.96 -0.73 -0.16 1.13 4.20 -1.16 0.73 115.11 120.09 1va2 h GLN 585 Ca 0.48 0.05 -0.16 0.00 0.06 0.00 0.00 58.65 59.08 1va2 h GLN 585 Cb 0.49 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1va2 h GLN 585 CO -0.24 -0.49 -0.51 0.00 -0.67 0.00 0.00 178.83 176.92 1va2 h ARG 586 N -0.76 0.62 -0.06 1.46 3.08 -0.72 -0.78 114.38 117.23 1va2 h ARG 586 Ca -0.04 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 1va2 h ARG 586 Cb 0.64 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1va2 h ARG 586 CO 0.01 1.08 0.02 1.25 -1.07 0.00 0.00 179.97 181.26 1va2 h HIS 587 N 0.28 0.09 0.00 3.04 -0.00 0.26 -1.84 115.15 116.98 1va2 h HIS 587 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 1va2 h HIS 587 Cb 1.13 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.51 1va2 h HIS 587 CO 0.10 0.27 -0.11 1.57 -0.00 0.00 0.00 177.93 179.76 1va2 h LYS 588 N -0.11 0.00 -1.07 5.26 5.09 0.41 -1.67 116.57 124.48 1va2 h LYS 588 Ca 0.02 0.00 0.31 0.00 0.09 0.00 0.00 60.65 61.07 1va2 h LYS 588 Cb 0.22 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.51 1va2 h LYS 588 CO -0.00 0.11 0.78 -0.09 -2.09 0.00 0.00 179.45 178.16 1va2 h ARG 589 N 0.00 0.00 -0.42 0.07 9.65 -0.25 0.83 114.38 124.26 1va2 h ARG 589 Ca -0.00 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.57 1va2 h ARG 589 Cb 0.20 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 28.46 1va2 h ARG 589 CO 0.01 0.00 -0.82 -2.37 2.80 0.00 0.00 179.97 179.60 1va2 n THR 590 N -4.19 1.95 0.08 0.20 5.66 -0.64 -3.19 114.28 114.15 1va2 n THR 590 Ca 0.23 -3.39 -0.23 0.00 -3.05 0.00 0.00 64.05 57.60 1va2 n THR 590 Cb 1.14 -0.23 -0.15 0.00 -1.55 0.00 0.00 70.33 69.54 1va2 n THR 590 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1va2 h HIS 591 N 1.84 0.75 0.12 1.09 2.76 -0.71 -3.39 115.15 117.61 1va2 h HIS 591 Ca 0.12 -0.55 -0.23 0.00 -2.20 0.00 0.00 60.37 57.51 1va2 h HIS 591 Cb 1.39 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1va2 h HIS 591 CO 0.69 1.67 -1.15 0.00 -1.30 0.00 0.00 177.93 177.84 1va2 h THR 592 N 0.11 1.22 0.00 6.26 1.03 -1.86 -3.47 112.91 116.20 1va2 h THR 592 Ca -0.34 -2.44 0.00 0.00 -0.01 0.00 0.00 66.41 63.62 1va2 h THR 592 Cb 2.11 2.89 0.00 0.00 -1.07 0.00 0.00 68.15 72.08 1va2 h THR 592 CO 0.19 0.69 0.00 0.61 -0.01 0.00 0.00 175.52 177.00 1va2 n GLY 593 N 1.70 0.00 2.70 2.99 0.00 -1.26 -5.07 105.19 106.25 1va2 n GLY 593 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1va2 n GLY 593 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1va2 n GLU 594 N 0.00 -3.88 0.00 1.61 1.02 -1.25 -5.04 120.64 113.09 1va2 n GLU 594 Ca 0.00 3.01 0.08 0.00 -0.02 0.00 0.00 57.16 60.22 1va2 n GLU 594 Cb 0.00 -4.61 0.46 0.00 -0.02 0.00 0.00 31.44 27.27 1va2 n GLU 594 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94