#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9h n GLY 44 N 0.00 0.62 0.40 3.03 0.00 -1.26 -5.05 105.19 102.93 2k9h n GLY 44 Ca 0.00 -1.15 0.22 0.00 0.00 0.00 0.00 46.02 45.09 2k9h n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k9h h SER 45 N 1.94 0.00 0.29 1.61 4.64 -2.04 -2.04 113.55 117.95 2k9h h SER 45 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2k9h h SER 45 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2k9h h SER 45 CO 0.36 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 177.12 2k9h n MET 46 N -4.30 0.04 -3.28 4.77 1.56 -1.26 -4.71 117.12 109.94 2k9h n MET 46 Ca 0.11 0.41 -0.38 0.00 -0.27 0.00 0.00 57.70 57.57 2k9h n MET 46 Cb 0.67 -1.60 -0.06 0.00 2.15 0.00 0.00 33.22 34.38 2k9h n MET 46 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2k9h s VAL 47 N -3.11 5.17 0.46 1.12 1.01 -0.77 -1.35 120.40 122.94 2k9h s VAL 47 Ca 0.03 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 2k9h s VAL 47 Cb 0.06 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 2k9h s VAL 47 CO 0.18 0.31 1.31 0.00 0.00 0.00 0.00 175.10 176.90 2k9h h ASP 49 N 1.95 0.00 0.00 0.00 3.58 -1.92 -2.97 116.42 117.06 2k9h h ASP 49 Ca -0.49 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 2k9h h ASP 49 Cb 1.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 2k9h h ASP 49 CO 0.59 0.00 -0.34 0.52 -2.88 0.00 0.00 179.24 177.13 2k9h n VAL 50 N -2.53 1.16 1.78 2.25 0.31 -1.26 -4.79 118.33 115.25 2k9h n VAL 50 Ca 0.01 0.30 0.15 0.00 -0.01 0.00 0.00 64.34 64.79 2k9h n VAL 50 Cb 0.24 -1.72 0.75 0.00 -0.91 0.00 0.00 33.84 32.20 2k9h n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k9h n HIS 52 N -0.49 -1.29 -4.48 0.00 8.25 -1.12 -4.62 115.22 111.48 2k9h n HIS 52 Ca 0.21 0.71 -0.30 0.00 -0.26 0.00 0.00 57.72 58.09 2k9h n HIS 52 Cb 0.21 -2.12 -0.12 0.00 1.12 0.00 0.00 29.99 29.08 2k9h n HIS 52 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k9h s HIS 53 N -3.29 2.53 0.11 4.41 5.65 -1.26 -4.81 115.29 118.63 2k9h s HIS 53 Ca 0.80 -0.27 -0.31 0.00 0.25 0.00 0.00 55.06 55.52 2k9h s HIS 53 Cb -0.46 -1.39 -0.08 0.00 -1.18 0.00 0.00 32.58 29.47 2k9h s HIS 53 CO 1.01 0.32 1.45 -2.00 -0.65 0.00 0.00 174.74 174.87 2k9h s GLU 54 N -1.81 4.28 0.78 2.88 2.12 -1.26 -1.20 118.70 124.49 2k9h s GLU 54 Ca 0.16 2.15 -0.11 0.00 0.36 0.00 0.00 54.97 57.53 2k9h s GLU 54 Cb -0.10 -3.29 0.06 0.00 0.26 0.00 0.00 34.13 31.06 2k9h s GLU 54 CO 0.08 -0.52 1.09 0.00 -0.54 0.00 0.00 175.26 175.37 2k9h h GLU 56 N -1.04 0.59 -4.02 0.00 4.22 -1.91 -3.46 114.58 108.96 2k9h h GLU 56 Ca -0.46 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 58.81 2k9h h GLU 56 Cb 1.25 -0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 2k9h h GLU 56 CO 0.58 0.41 -0.40 0.95 -2.18 0.00 0.00 179.01 178.37 2k9h s THR 57 N -6.09 0.07 -0.01 0.32 -4.23 -1.26 -5.05 115.64 99.39 2k9h s THR 57 Ca -0.13 -1.52 0.31 0.00 -1.18 0.00 0.00 61.69 59.17 2k9h s THR 57 Cb 0.11 -1.91 0.35 0.00 1.34 0.00 0.00 72.50 72.39 2k9h s THR 57 CO 0.73 -0.32 1.94 0.00 -0.54 0.00 0.00 174.62 176.43 2k9h h ALA 58 N 2.61 1.00 0.14 3.99 0.00 -1.96 -2.66 119.26 122.38 2k9h h ALA 58 Ca -0.32 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.33 2k9h h ALA 58 Cb 1.22 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k9h h ALA 58 CO 0.50 0.00 -1.24 -0.22 0.00 0.00 0.00 179.25 178.30 2k9h h LYS 59 N 0.00 0.29 0.00 0.00 3.11 -2.00 -3.34 116.57 114.62 2k9h h LYS 59 Ca 0.00 -0.49 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2k9h h LYS 59 Cb 0.36 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 2k9h h LYS 59 CO 0.00 1.23 0.00 0.93 -2.81 0.00 0.00 179.45 178.80 2k9h h GLU 60 N -0.28 0.00 -0.85 1.90 4.39 -1.89 -3.36 114.58 114.49 2k9h h GLU 60 Ca -0.25 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.62 2k9h h GLU 60 Cb 1.76 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 30.25 2k9h h GLU 60 CO 0.11 0.00 -0.22 1.25 -1.16 0.00 0.00 179.01 178.99 2k9h h LEU 61 N 0.00 -0.82 -0.12 1.33 5.85 -1.60 0.01 115.31 119.96 2k9h h LEU 61 Ca 0.00 0.26 -0.23 0.00 0.84 0.00 0.00 57.88 58.75 2k9h h LEU 61 Cb 0.55 0.53 0.01 0.00 0.37 0.00 0.00 40.66 42.13 2k9h h LEU 61 CO 0.00 -0.28 -0.82 -0.08 -0.34 0.00 0.00 178.44 176.92 2k9h h GLU 62 N -0.00 0.77 -0.29 1.25 4.81 -1.83 -3.16 114.58 116.11 2k9h h GLU 62 Ca 0.40 -0.66 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2k9h h GLU 62 Cb 0.62 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2k9h h GLU 62 CO -0.87 1.26 0.19 0.77 -0.73 0.00 0.00 179.01 179.64 2k9h h SER 63 N 0.49 0.30 0.90 1.04 0.02 -1.58 -2.64 113.55 112.08 2k9h h SER 63 Ca -0.07 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2k9h h SER 63 Cb 1.46 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.93 2k9h h SER 63 CO 0.17 0.21 -0.43 -0.74 -1.14 0.00 0.00 176.83 174.90 2k9h h HIS 64 N 0.35 -1.13 -0.64 3.45 -0.00 -0.99 -3.11 115.15 113.08 2k9h h HIS 64 Ca 0.11 -0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.51 2k9h h HIS 64 Cb 0.03 0.37 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 2k9h h HIS 64 CO -0.00 -0.70 0.42 0.07 -0.00 0.00 0.00 177.93 177.72 2k9h h ARG 65 N -1.30 0.64 0.00 5.26 0.11 -1.53 -1.30 114.38 116.26 2k9h h ARG 65 Ca -0.12 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.92 2k9h h ARG 65 Cb 0.93 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.87 2k9h h ARG 65 CO 0.20 0.42 -0.00 1.96 0.10 0.00 0.00 179.97 182.66 2k9h h GLN 66 N 0.66 0.00 0.00 0.08 4.20 -1.47 -2.19 115.11 116.40 2k9h h GLN 66 Ca 0.27 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.64 2k9h h GLN 66 Cb 0.23 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2k9h h GLN 66 CO -0.08 0.00 -2.29 0.43 -0.67 0.00 0.00 178.83 176.23 2k9h n SER 67 N -3.11 1.57 -0.20 1.46 7.64 -0.65 -4.50 113.62 115.83 2k9h n SER 67 Ca -0.02 -0.08 -0.01 0.00 1.01 0.00 0.00 58.87 59.77 2k9h n SER 67 Cb 0.16 0.14 0.09 0.00 -1.01 0.00 0.00 64.21 63.59 2k9h n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9h h ILE 69 N 0.52 0.00 -0.23 0.00 2.10 -1.63 -0.43 117.51 117.85 2k9h h ILE 69 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.23 2k9h h ILE 69 Cb 0.27 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 2k9h h ILE 69 CO -0.23 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.43 2k9h n ASN 70 N -2.92 2.58 -1.07 2.19 3.02 -0.61 -4.91 115.26 113.54 2k9h n ASN 70 Ca -0.02 -1.79 -0.11 0.00 -0.03 0.00 0.00 54.58 52.62 2k9h n ASN 70 Cb 0.17 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 2k9h n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k9h n GLY 71 N 0.61 0.41 3.35 7.41 0.00 -0.17 -4.80 105.19 112.00 2k9h n GLY 71 Ca 0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 2k9h n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k9h s GLN 72 N -3.92 1.62 0.14 1.61 0.74 -0.53 -1.03 119.66 118.30 2k9h s GLN 72 Ca 0.00 -1.17 -0.30 0.00 0.05 0.00 0.00 55.36 53.94 2k9h s GLN 72 Cb 0.00 -1.89 -0.07 0.00 1.10 0.00 0.00 33.01 32.16 2k9h s GLN 72 CO 0.00 0.47 1.06 0.00 -0.55 0.00 0.00 175.29 176.28 2k9h n PRO 74 N 2.67 0.10 0.00 0.00 -0.04 -1.26 -3.36 135.00 133.10 2k9h n PRO 74 Ca 0.03 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 2k9h n PRO 74 Cb 0.47 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2k9h n PRO 74 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2k9h n TYR 75 N -1.93 0.00 1.32 0.54 4.01 -1.26 -4.85 117.16 114.99 2k9h n TYR 75 Ca 0.01 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.89 2k9h n TYR 75 Cb 0.12 0.14 0.64 0.00 -0.31 0.00 0.00 39.34 39.93 2k9h n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k9h n MET 77 N -1.22 -1.51 -1.74 0.00 2.81 -1.21 -4.98 117.12 109.27 2k9h n MET 77 Ca 0.12 1.09 -0.42 0.00 -1.81 0.00 0.00 57.70 56.68 2k9h n MET 77 Cb 0.28 -5.47 -0.01 0.00 -0.71 0.00 0.00 33.22 27.31 2k9h n MET 77 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2k9h n THR 78 N -2.27 1.66 -4.77 2.03 -1.04 -1.26 -4.65 114.28 103.97 2k9h n THR 78 Ca -0.17 -0.41 -0.33 0.00 -2.04 0.00 0.00 64.05 61.09 2k9h n THR 78 Cb 0.63 -1.81 -0.13 0.00 -1.82 0.00 0.00 70.33 67.20 2k9h n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2k9h s ILE 79 N -0.73 3.21 0.00 12.58 -1.09 -1.26 -1.43 121.20 132.47 2k9h s ILE 79 Ca 0.58 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 2k9h s ILE 79 Cb -0.52 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2k9h s ILE 79 CO 0.58 0.56 0.00 1.07 -1.23 0.00 0.00 174.94 175.92 2k9h n THR 80 N 2.89 0.00 -1.89 2.92 5.66 -0.19 -5.03 114.28 118.63 2k9h n THR 80 Ca -0.18 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.49 2k9h n THR 80 Cb 0.53 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.34 2k9h n THR 80 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k9h s GLU 81 N -1.67 2.94 0.00 1.09 0.41 -1.26 -4.47 118.70 115.74 2k9h s GLU 81 Ca 0.00 1.46 0.14 0.00 -0.41 0.00 0.00 54.97 56.16 2k9h s GLU 81 Cb 0.00 -1.96 0.86 0.00 -1.78 0.00 0.00 34.13 31.24 2k9h s GLU 81 CO 0.00 -1.15 1.43 0.00 -0.49 0.00 0.00 175.26 175.05 2k9h n ALA 82 N -2.12 2.42 -1.80 5.21 0.00 -1.26 -4.37 120.51 118.59 2k9h n ALA 82 Ca 0.11 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 2k9h n ALA 82 Cb 0.52 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2k9h n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2k9h s THR 83 N -2.00 4.29 0.20 0.00 -4.23 -1.26 -4.81 115.64 107.82 2k9h s THR 83 Ca 0.22 1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 61.81 2k9h s THR 83 Cb 0.10 -3.60 0.14 0.00 1.34 0.00 0.00 72.50 70.47 2k9h s THR 83 CO 0.17 -0.53 1.87 -0.08 -0.54 0.00 0.00 174.62 175.51 2k9h h GLU 84 N 1.10 0.92 -0.66 3.99 4.81 -1.90 -0.96 114.58 121.88 2k9h h GLU 84 Ca -0.48 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2k9h h GLU 84 Cb 1.19 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 2k9h h GLU 84 CO 0.60 0.61 0.43 0.77 -0.73 0.00 0.00 179.01 180.70 2k9h h SER 85 N 0.95 0.69 0.22 1.04 0.02 -1.94 0.59 113.55 115.12 2k9h h SER 85 Ca 0.26 -0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 60.90 2k9h h SER 85 Cb -0.11 -0.16 0.03 0.00 0.14 0.00 0.00 62.40 62.30 2k9h h SER 85 CO -0.06 0.48 -1.31 0.00 -1.14 0.00 0.00 176.83 174.81 2k9h h ALA 86 N 1.61 -0.14 -0.08 3.77 0.00 -1.78 -3.24 119.26 119.40 2k9h h ALA 86 Ca 0.26 -0.83 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 2k9h h ALA 86 Cb 0.03 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k9h h ALA 86 CO -0.07 0.61 -0.87 -0.07 0.00 0.00 0.00 179.25 178.86 2k9h h LEU 87 N -0.00 0.81 -0.73 0.00 3.38 -0.96 -2.81 115.31 115.00 2k9h h LEU 87 Ca -0.23 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.12 2k9h h LEU 87 Cb 2.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 2k9h h LEU 87 CO 0.24 1.37 0.29 1.56 0.09 0.00 0.00 178.44 181.99 2k9h h GLN 88 N 0.42 1.10 -0.85 1.13 4.20 -1.05 -1.08 115.11 118.98 2k9h h GLN 88 Ca -0.07 -0.20 0.05 0.00 0.06 0.00 0.00 58.65 58.49 2k9h h GLN 88 Cb 1.49 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 29.05 2k9h h GLN 88 CO 0.17 0.91 0.56 0.00 -0.67 0.00 0.00 178.83 179.79 2k9h h ALA 89 N 1.14 1.54 0.50 3.87 0.00 -1.58 -1.09 119.26 123.64 2k9h h ALA 89 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2k9h h ALA 89 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k9h h ALA 89 CO -0.02 0.35 -0.24 1.25 0.00 0.00 0.00 179.25 180.59 2k9h h HIS 90 N 0.98 -0.62 0.00 0.00 -0.00 -1.14 -3.29 115.15 111.09 2k9h h HIS 90 Ca 0.36 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.71 2k9h h HIS 90 Cb 0.15 0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.77 2k9h h HIS 90 CO -0.00 -0.29 -0.02 1.88 -0.00 0.00 0.00 177.93 179.50 2k9h h TYR 91 N -0.95 0.00 0.00 5.26 0.05 -0.95 -1.62 116.97 118.76 2k9h h TYR 91 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2k9h h TYR 91 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 2k9h h TYR 91 CO 0.01 0.02 0.00 0.77 -1.05 0.00 0.00 178.16 177.91 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.26 -3.15 113.55 113.04 2k9h h SER 92 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k9h h SER 92 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2k9h h SER 92 CO 0.00 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 177.99 2k9h n ILE 93 N -3.04 0.00 -4.61 3.27 -5.35 -0.68 -5.03 119.36 103.91 2k9h n ILE 93 Ca -0.01 -0.45 -0.33 0.00 -0.27 0.00 0.00 62.75 61.68 2k9h n ILE 93 Cb 0.17 1.07 -0.16 0.00 -1.74 0.00 0.00 39.64 38.98 2k9h n ILE 93 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k9h n LYS 95 N 4.05 0.90 0.05 0.00 4.76 -1.26 -4.72 118.16 121.94 2k9h n LYS 95 Ca -0.19 -1.43 0.13 0.00 -2.87 0.00 0.00 58.31 53.94 2k9h n LYS 95 Cb 0.52 -0.87 0.51 0.00 -1.84 0.00 0.00 35.03 33.34 2k9h n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k9h n LEU 96 N -0.50 0.37 0.00 -0.35 4.32 -1.26 -4.28 117.00 115.30 2k9h n LEU 96 Ca 0.05 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 2k9h n LEU 96 Cb 0.56 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2k9h n LEU 96 CO 0.00 -0.11 0.18 0.35 -1.22 0.00 0.00 177.39 176.59 2k9h n THR 97 N -1.85 0.00 -2.17 -5.08 -2.24 -1.26 -1.79 114.28 99.88 2k9h n THR 97 Ca 0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.82 2k9h n THR 97 Cb 0.37 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 2k9h n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k9h n GLY 98 N -0.85 0.71 0.36 3.38 0.00 -1.26 -4.76 105.19 102.76 2k9h n GLY 98 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.77 2k9h n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86