#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bn5 n ALA 652 N 0.00 -0.15 -3.14 4.61 0.00 -1.26 -4.95 120.51 115.61 2bn5 n ALA 652 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2bn5 n ALA 652 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bn5 n ALA 652 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bn5 n ASP 653 N -1.10 -7.33 0.00 0.00 -0.08 -1.26 -4.96 116.55 101.81 2bn5 n ASP 653 Ca 0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2bn5 n ASP 653 Cb 0.00 -4.68 0.00 0.00 2.34 0.00 0.00 41.12 38.78 2bn5 n ASP 653 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bn5 n TYR 654 N -1.56 0.00 -0.16 -0.67 4.11 -1.26 -4.80 117.16 112.82 2bn5 n TYR 654 Ca -0.03 0.00 0.28 0.00 -0.00 0.00 0.00 57.90 58.16 2bn5 n TYR 654 Cb 0.53 0.00 0.60 0.00 -0.00 0.00 0.00 39.34 40.47 2bn5 n TYR 654 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 2bn5 h SER 655 N 0.00 0.00 0.24 9.48 0.02 -1.88 0.61 113.55 122.02 2bn5 h SER 655 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2bn5 h SER 655 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2bn5 h SER 655 CO 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 176.83 175.57 2bn5 h ALA 656 N 0.97 -0.67 0.00 3.77 0.00 -1.89 0.93 119.26 122.37 2bn5 h ALA 656 Ca 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2bn5 h ALA 656 Cb 2.32 0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.23 2bn5 h ALA 656 CO -0.00 -0.65 0.00 0.94 0.00 0.00 0.00 179.25 179.53 2bn5 n GLN 657 N -3.34 0.16 -0.06 0.00 7.27 -0.57 -1.33 117.38 119.53 2bn5 n GLN 657 Ca -0.04 0.13 -0.16 0.00 0.07 0.00 0.00 57.00 57.00 2bn5 n GLN 657 Cb 0.13 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.14 2bn5 n GLN 657 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2bn5 n TRP 658 N -1.37 0.64 0.09 3.69 5.03 0.20 -4.10 117.44 121.62 2bn5 n TRP 658 Ca 0.07 0.16 -0.05 0.00 3.03 0.00 0.00 57.50 60.72 2bn5 n TRP 658 Cb 0.18 -1.09 0.11 0.00 -1.03 0.00 0.00 31.31 29.48 2bn5 n TRP 658 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2bn5 h ALA 659 N 0.37 0.83 -0.72 6.99 0.00 0.12 -2.68 119.26 124.18 2bn5 h ALA 659 Ca -0.47 -0.57 0.18 0.00 0.00 0.00 0.00 54.91 54.06 2bn5 h ALA 659 Cb 2.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 2bn5 h ALA 659 CO 0.02 0.76 0.50 1.05 0.00 0.00 0.00 179.25 181.59 2bn5 h GLU 660 N 0.13 0.15 0.41 0.00 4.11 -1.36 0.86 114.58 118.89 2bn5 h GLU 660 Ca -0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2bn5 h GLU 660 Cb 1.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2bn5 h GLU 660 CO 0.10 0.10 -0.20 1.88 0.07 0.00 0.00 179.01 180.96 2bn5 h TYR 661 N 0.16 -0.52 0.00 2.06 0.05 -1.63 -3.06 116.97 114.04 2bn5 h TYR 661 Ca 0.35 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.12 2bn5 h TYR 661 Cb 1.15 0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.06 2bn5 h TYR 661 CO -0.00 -0.32 0.00 1.88 -1.05 0.00 0.00 178.16 178.67 2bn5 h TYR 662 N -0.91 0.00 0.00 4.88 0.05 -1.34 1.26 116.97 120.92 2bn5 h TYR 662 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2bn5 h TYR 662 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 2bn5 h TYR 662 CO 0.03 0.00 0.00 0.54 -1.05 0.00 0.00 178.16 177.68 2bn5 n ARG 663 N -2.81 0.68 -0.57 4.88 3.00 0.29 0.04 116.66 122.17 2bn5 n ARG 663 Ca -0.02 0.01 -0.01 0.00 -0.01 0.00 0.00 57.85 57.81 2bn5 n ARG 663 Cb 0.06 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.01 2bn5 n ARG 663 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bn5 n SER 664 N -1.14 -0.15 -0.00 0.55 2.88 0.12 -4.68 113.62 111.19 2bn5 n SER 664 Ca 0.18 -1.14 0.03 0.00 -1.33 0.00 0.00 58.87 56.61 2bn5 n SER 664 Cb 0.17 0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 2bn5 n SER 664 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2bn5 n VAL 665 N 0.00 0.00 0.00 2.46 3.14 0.39 -4.98 118.33 119.34 2bn5 n VAL 665 Ca -0.04 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 2bn5 n VAL 665 Cb 0.53 0.91 0.00 0.00 -1.06 0.00 0.00 33.84 34.22 2bn5 n VAL 665 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bn5 n GLY 666 N 1.29 0.98 2.66 7.55 0.00 -1.26 -5.00 105.19 111.41 2bn5 n GLY 666 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2bn5 n GLY 666 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bn5 n LYS 667 N 0.00 0.10 0.02 1.61 0.00 -0.90 -5.03 118.16 113.97 2bn5 n LYS 667 Ca 0.00 -0.62 -0.10 0.00 -0.00 0.00 0.00 58.31 57.59 2bn5 n LYS 667 Cb 0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 35.03 34.97 2bn5 n LYS 667 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2bn5 h ILE 668 N 0.20 0.52 -0.95 0.58 5.03 -0.67 0.95 117.51 123.17 2bn5 h ILE 668 Ca -0.53 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.42 2bn5 h ILE 668 Cb 1.23 0.52 -0.08 0.00 -3.03 0.00 0.00 36.82 35.46 2bn5 h ILE 668 CO -0.17 0.00 0.62 -0.08 -0.68 0.00 0.00 178.15 177.84 2bn5 h GLU 669 N -0.28 0.42 0.00 2.37 4.57 -1.96 1.04 114.58 120.75 2bn5 h GLU 669 Ca 0.08 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 2bn5 h GLU 669 Cb 0.39 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2bn5 h GLU 669 CO -0.24 0.28 -0.80 1.49 -1.18 0.00 0.00 179.01 178.57 2bn5 h GLU 670 N 0.44 0.00 -0.31 1.92 4.22 -1.31 -3.13 114.58 116.41 2bn5 h GLU 670 Ca 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.93 2bn5 h GLU 670 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2bn5 h GLU 670 CO -0.22 0.77 0.13 0.00 -2.18 0.00 0.00 179.01 177.51 2bn5 h ALA 671 N 1.22 1.64 0.00 2.92 0.00 0.87 0.30 119.26 126.21 2bn5 h ALA 671 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2bn5 h ALA 671 Cb 1.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2bn5 h ALA 671 CO 0.10 0.29 -0.05 0.93 0.00 0.00 0.00 179.25 180.52 2bn5 h GLU 672 N 0.44 0.00 -0.08 0.00 4.39 -1.09 0.10 114.58 118.34 2bn5 h GLU 672 Ca 0.11 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 2bn5 h GLU 672 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2bn5 h GLU 672 CO -0.01 0.05 -0.73 0.00 -1.16 0.00 0.00 179.01 177.16 2bn5 h ALA 673 N 1.95 0.59 -0.13 3.43 0.00 -0.51 -3.20 119.26 121.39 2bn5 h ALA 673 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2bn5 h ALA 673 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bn5 h ALA 673 CO 0.01 0.76 0.07 0.82 0.00 0.00 0.00 179.25 180.91 2bn5 h ILE 674 N 0.28 1.09 -1.23 0.00 5.03 -0.65 -1.76 117.51 120.28 2bn5 h ILE 674 Ca -0.03 -0.23 0.36 0.00 -0.12 0.00 0.00 64.86 64.83 2bn5 h ILE 674 Cb 1.30 1.00 -0.05 0.00 -3.03 0.00 0.00 36.82 36.05 2bn5 h ILE 674 CO 0.13 0.08 0.95 -0.33 -0.68 0.00 0.00 178.15 178.29 2bn5 h GLU 675 N 0.12 0.00 -0.67 2.37 5.08 -1.45 0.97 114.58 121.00 2bn5 h GLU 675 Ca 0.05 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2bn5 h GLU 675 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2bn5 h GLU 675 CO -0.01 0.00 0.45 -0.22 -1.00 0.00 0.00 179.01 178.23 2bn5 h LYS 676 N 0.00 0.86 0.00 2.33 3.64 -1.39 0.64 116.57 122.65 2bn5 h LYS 676 Ca 0.58 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.86 2bn5 h LYS 676 Cb 2.47 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 34.09 2bn5 h LYS 676 CO -0.01 0.57 -0.22 1.79 -2.27 0.00 0.00 179.45 179.32 2bn5 h THR 677 N 0.89 0.78 -0.69 1.00 1.35 0.89 -2.11 112.91 115.02 2bn5 h THR 677 Ca 0.25 -0.89 0.14 0.00 -0.55 0.00 0.00 66.41 65.37 2bn5 h THR 677 Cb -0.07 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 67.85 2bn5 h THR 677 CO -0.06 0.22 0.47 0.25 -0.25 0.00 0.00 175.52 176.14 2bn5 h LEU 678 N 0.00 0.33 -2.05 3.87 5.85 -0.83 0.33 115.31 122.81 2bn5 h LEU 678 Ca -0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.81 2bn5 h LEU 678 Cb 0.52 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2bn5 h LEU 678 CO 0.03 0.18 0.36 0.50 -0.34 0.00 0.00 178.44 179.16 2bn5 h LYS 679 N 0.35 0.00 -5.20 1.25 1.63 -1.41 -3.41 116.57 109.79 2bn5 h LYS 679 Ca 0.33 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.78 2bn5 h LYS 679 Cb 0.81 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.38 2bn5 h LYS 679 CO -0.09 0.00 1.47 0.09 -3.45 0.00 0.00 179.45 177.46 2bn5 n ASN 680 N -3.55 0.51 -1.20 4.20 4.13 0.12 -4.72 115.26 114.74 2bn5 n ASN 680 Ca 0.04 -0.51 -0.06 0.00 1.68 0.00 0.00 54.58 55.73 2bn5 n ASN 680 Cb 0.50 -1.10 0.16 0.00 -1.54 0.00 0.00 39.78 37.80 2bn5 n ASN 680 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2bn5 n LYS 681 N 7.81 2.12 -2.70 3.52 2.85 -1.26 -4.55 118.16 125.94 2bn5 n LYS 681 Ca 0.57 -3.42 -0.06 0.00 -1.05 0.00 0.00 58.31 54.35 2bn5 n LYS 681 Cb 0.25 -1.86 0.06 0.00 -0.65 0.00 0.00 35.03 32.83 2bn5 n LYS 681 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2bn5 n GLN 682 N -1.04 0.40 -0.51 -1.58 6.02 -1.26 -5.09 117.38 114.33 2bn5 n GLN 682 Ca 0.32 -1.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.15 2bn5 n GLN 682 Cb 0.90 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 31.39 2bn5 n GLN 682 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34