#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9h s GLY 44 N 0.00 -0.07 0.32 3.17 0.00 -1.26 -5.02 107.32 104.46 2k9h s GLY 44 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 44.72 44.90 2k9h s GLY 44 CO 0.00 2.87 1.58 -1.14 0.00 0.00 0.00 173.10 176.41 2k9h n SER 45 N -0.99 0.51 -0.13 1.64 3.41 -1.26 -2.13 113.62 114.68 2k9h n SER 45 Ca -0.02 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 2k9h n SER 45 Cb 0.60 -0.76 0.09 0.00 -0.26 0.00 0.00 64.21 63.88 2k9h n SER 45 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2k9h n MET 46 N -2.21 1.27 -4.31 4.33 1.56 -1.26 -4.83 117.12 111.66 2k9h n MET 46 Ca -0.01 -2.09 -0.34 0.00 -0.27 0.00 0.00 57.70 54.99 2k9h n MET 46 Cb 0.10 -1.23 -0.11 0.00 2.15 0.00 0.00 33.22 34.13 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 -2.03 4.15 0.47 1.12 1.01 -0.90 -1.15 120.40 123.07 2k9h s VAL 47 Ca 0.21 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 2k9h s VAL 47 Cb 0.18 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 2k9h s VAL 47 CO 0.02 0.50 1.35 0.00 0.00 0.00 0.00 175.10 176.97 2k9h h ASP 49 N 2.08 0.00 0.00 0.00 5.19 -1.93 -3.07 116.42 118.70 2k9h h ASP 49 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2k9h h ASP 49 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2k9h h ASP 49 CO 0.60 0.00 0.00 0.52 -3.12 0.00 0.00 179.24 177.24 2k9h n VAL 50 N -3.04 0.00 0.54 -1.35 0.31 -1.26 -4.80 118.33 108.73 2k9h n VAL 50 Ca -0.01 0.09 0.06 0.00 -0.01 0.00 0.00 64.34 64.47 2k9h n VAL 50 Cb 0.16 -0.99 0.30 0.00 -0.91 0.00 0.00 33.84 32.40 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 -1.34 -1.68 -4.12 0.00 8.25 -1.16 -4.65 115.22 110.52 2k9h n HIS 52 Ca 0.05 0.23 -0.29 0.00 -0.26 0.00 0.00 57.72 57.45 2k9h n HIS 52 Cb 0.11 -2.41 -0.07 0.00 1.12 0.00 0.00 29.99 28.74 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 -2.65 3.01 0.23 4.41 5.65 -1.26 -4.81 115.29 119.88 2k9h s HIS 53 Ca 0.21 -0.03 -0.30 0.00 0.25 0.00 0.00 55.06 55.19 2k9h s HIS 53 Cb -0.11 -1.51 -0.09 0.00 -1.18 0.00 0.00 32.58 29.69 2k9h s HIS 53 CO 0.26 0.50 1.08 -2.00 -0.65 0.00 0.00 174.74 173.92 2k9h s GLU 54 N -2.57 4.65 0.56 2.88 2.12 -1.26 -1.64 118.70 123.43 2k9h s GLU 54 Ca 0.27 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.33 2k9h s GLU 54 Cb -0.11 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.07 2k9h s GLU 54 CO 0.20 0.20 0.79 0.00 -0.54 0.00 0.00 175.26 175.91 2k9h h GLU 56 N 0.03 1.05 -4.18 0.00 4.57 -1.90 -3.46 114.58 110.68 2k9h h GLU 56 Ca -0.43 -0.11 -0.16 0.00 -1.18 0.00 0.00 59.36 57.48 2k9h h GLU 56 Cb 1.29 -0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 29.54 2k9h h GLU 56 CO 0.54 0.77 -0.44 0.95 -1.18 0.00 0.00 179.01 179.65 2k9h s THR 57 N -5.89 0.03 -0.69 0.32 -4.23 -1.26 -5.05 115.64 98.87 2k9h s THR 57 Ca -0.13 -1.71 0.23 0.00 -1.18 0.00 0.00 61.69 58.90 2k9h s THR 57 Cb 0.15 -2.21 0.23 0.00 1.34 0.00 0.00 72.50 72.01 2k9h s THR 57 CO 0.80 -0.14 1.70 0.00 -0.54 0.00 0.00 174.62 176.44 2k9h n ALA 58 N -0.26 1.86 -0.04 3.99 0.00 -1.26 -2.81 120.51 122.00 2k9h n ALA 58 Ca -0.02 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2k9h n ALA 58 Cb 0.64 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 2k9h n ALA 58 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k9h h LYS 59 N 0.00 0.15 0.00 0.00 1.63 -1.96 -3.36 116.57 113.02 2k9h h LYS 59 Ca 0.00 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.54 2k9h h LYS 59 Cb 0.44 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2k9h h LYS 59 CO 0.00 1.12 -0.07 0.93 -3.45 0.00 0.00 179.45 177.98 2k9h h GLU 60 N -0.45 0.00 -0.82 1.90 3.07 -1.93 -2.85 114.58 113.50 2k9h h GLU 60 Ca -0.38 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 58.65 2k9h h GLU 60 Cb 1.68 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.53 2k9h h GLU 60 CO -0.05 0.07 0.54 1.25 -1.40 0.00 0.00 179.01 179.42 2k9h h LEU 61 N 0.00 0.43 -1.24 1.33 5.85 -1.66 -0.95 115.31 119.06 2k9h h LEU 61 Ca -0.00 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2k9h h LEU 61 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2k9h h LEU 61 CO 0.01 0.20 -0.27 -0.08 -0.34 0.00 0.00 178.44 177.96 2k9h h GLU 62 N 0.44 0.18 0.21 1.25 4.81 -1.72 -1.76 114.58 117.99 2k9h h GLU 62 Ca 0.41 -0.06 -0.32 0.00 -0.13 0.00 0.00 59.36 59.27 2k9h h GLU 62 Cb 0.94 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.33 2k9h h GLU 62 CO -0.15 0.44 -1.41 0.77 -0.73 0.00 0.00 179.01 177.93 2k9h h SER 63 N 0.16 0.70 0.52 1.04 0.02 -1.41 -3.29 113.55 111.28 2k9h h SER 63 Ca 0.02 -0.75 -0.01 0.00 -0.84 0.00 0.00 61.79 60.21 2k9h h SER 63 Cb 0.57 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2k9h h SER 63 CO 0.04 1.59 -0.43 -0.74 -1.14 0.00 0.00 176.83 176.15 2k9h h HIS 64 N 0.12 -1.16 -0.99 3.45 6.17 -0.98 -2.05 115.15 119.70 2k9h h HIS 64 Ca -0.22 0.00 0.12 0.00 0.71 0.00 0.00 60.37 60.98 2k9h h HIS 64 Cb 2.10 0.44 -0.08 0.00 2.52 0.00 0.00 27.41 32.39 2k9h h HIS 64 CO 0.11 -0.61 0.62 0.07 0.71 0.00 0.00 177.93 178.83 2k9h h ARG 65 N -0.93 0.96 0.00 5.26 0.11 -1.49 -0.78 114.38 117.50 2k9h h ARG 65 Ca -0.06 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 2k9h h ARG 65 Cb 0.80 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 2k9h h ARG 65 CO -0.01 0.63 -0.31 1.96 0.10 0.00 0.00 179.97 182.33 2k9h h GLN 66 N 0.99 0.00 0.12 0.08 4.20 -1.60 -2.97 115.11 115.92 2k9h h GLN 66 Ca 0.49 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.93 2k9h h GLN 66 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2k9h h GLN 66 CO -0.26 0.31 -1.36 0.77 -0.67 0.00 0.00 178.83 177.63 2k9h h SER 67 N 0.00 0.41 -0.62 1.46 0.02 -0.59 -3.37 113.55 110.85 2k9h h SER 67 Ca -0.00 -0.87 0.04 0.00 -0.84 0.00 0.00 61.79 60.12 2k9h h SER 67 Cb 0.88 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 2k9h h SER 67 CO 0.04 1.60 0.37 0.00 -1.14 0.00 0.00 176.83 177.70 2k9h h ILE 69 N 0.71 0.15 -0.41 0.00 -0.00 -1.70 -0.12 117.51 116.14 2k9h h ILE 69 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.12 2k9h h ILE 69 Cb 0.08 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 37.88 2k9h h ILE 69 CO -0.13 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 178.61 2k9h n ASN 70 N -3.29 3.29 -0.80 2.19 3.02 -0.78 -4.90 115.26 113.99 2k9h n ASN 70 Ca -0.03 -1.94 -0.10 0.00 -0.03 0.00 0.00 54.58 52.49 2k9h n ASN 70 Cb 0.09 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.22 0.96 3.46 7.41 0.00 -0.06 -4.83 105.19 113.36 2k9h n GLY 71 Ca 0.17 -0.57 -0.27 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 -3.07 1.66 0.16 1.61 0.74 -0.38 -0.91 119.66 119.47 2k9h s GLN 72 Ca 0.00 -1.46 -0.30 0.00 0.05 0.00 0.00 55.36 53.65 2k9h s GLN 72 Cb 0.00 -1.92 -0.07 0.00 1.10 0.00 0.00 33.01 32.12 2k9h s GLN 72 CO 0.00 0.41 0.95 0.00 -0.55 0.00 0.00 175.29 176.10 2k9h n PRO 74 N 2.28 0.11 0.00 0.00 -0.04 -1.26 -3.47 135.00 132.63 2k9h n PRO 74 Ca 0.01 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2k9h n PRO 74 Cb 0.48 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.99 0.00 1.37 0.54 4.02 -1.26 -4.84 117.16 115.01 2k9h n TYR 75 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.05 2k9h n TYR 75 Cb 0.14 0.19 0.70 0.00 -0.02 0.00 0.00 39.34 40.35 2k9h n TYR 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k9h n MET 77 N -1.23 -1.86 -1.69 0.00 2.81 -1.23 -4.99 117.12 108.93 2k9h n MET 77 Ca 0.13 0.51 -0.42 0.00 -1.81 0.00 0.00 57.70 56.12 2k9h n MET 77 Cb 0.26 -4.93 0.00 0.00 -0.71 0.00 0.00 33.22 27.85 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 -2.08 2.31 -5.27 2.03 -1.04 -1.26 -4.58 114.28 104.39 2k9h n THR 78 Ca -0.01 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.19 2k9h n THR 78 Cb 0.48 -1.53 -0.16 0.00 -1.82 0.00 0.00 70.33 67.30 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 -1.16 2.03 0.00 12.58 1.01 -1.26 -1.07 121.20 133.33 2k9h s ILE 79 Ca 0.59 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2k9h s ILE 79 Cb -0.54 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2k9h s ILE 79 CO 0.60 0.56 0.00 1.07 0.00 0.00 0.00 174.94 177.17 2k9h n THR 80 N 2.41 0.00 -2.12 2.92 5.66 -0.08 -5.02 114.28 118.05 2k9h n THR 80 Ca -0.16 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.48 2k9h n THR 80 Cb 0.51 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.31 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 -1.91 3.20 0.00 1.09 2.02 -1.26 -4.53 118.70 117.30 2k9h s GLU 81 Ca 0.00 1.76 0.15 0.00 0.02 0.00 0.00 54.97 56.90 2k9h s GLU 81 Cb 0.00 -2.02 0.90 0.00 0.10 0.00 0.00 34.13 33.11 2k9h s GLU 81 CO 0.00 -1.01 1.38 0.00 0.02 0.00 0.00 175.26 175.65 2k9h n ALA 82 N -1.35 2.29 -1.75 5.21 0.00 -1.26 -4.27 120.51 119.38 2k9h n ALA 82 Ca 0.12 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 2k9h n ALA 82 Cb 0.50 -1.24 -0.00 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 3.36 0.36 0.00 -4.23 -1.26 -4.80 115.64 107.07 2k9h s THR 83 Ca 0.23 0.81 0.05 0.00 -1.18 0.00 0.00 61.69 61.60 2k9h s THR 83 Cb 0.10 -3.32 0.20 0.00 1.34 0.00 0.00 72.50 70.83 2k9h s THR 83 CO 0.17 -0.21 1.95 1.05 -0.54 0.00 0.00 174.62 177.04 2k9h h GLU 84 N 1.14 0.54 -0.50 3.99 9.09 -1.89 -2.32 114.58 124.63 2k9h h GLU 84 Ca -0.49 -0.08 -0.05 0.00 0.05 0.00 0.00 59.36 58.78 2k9h h GLU 84 Cb 1.25 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 28.23 2k9h h GLU 84 CO 0.57 0.48 0.10 0.77 0.05 0.00 0.00 179.01 180.98 2k9h h SER 85 N 0.53 0.78 -0.29 3.06 0.02 -1.93 0.62 113.55 116.36 2k9h h SER 85 Ca 0.13 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 2k9h h SER 85 Cb 0.17 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2k9h h SER 85 CO -0.01 0.83 -0.35 0.00 -1.14 0.00 0.00 176.83 176.16 2k9h h ALA 86 N 0.98 0.43 -0.45 3.77 0.00 -1.80 -2.24 119.26 119.95 2k9h h ALA 86 Ca 0.16 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2k9h h ALA 86 Cb 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k9h h ALA 86 CO 0.01 0.50 -0.17 -0.07 0.00 0.00 0.00 179.25 179.51 2k9h h LEU 87 N 0.50 0.89 -0.88 0.00 3.38 -1.38 -1.80 115.31 116.01 2k9h h LEU 87 Ca 0.04 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2k9h h LEU 87 Cb 0.94 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2k9h h LEU 87 CO 0.08 1.05 0.31 1.56 0.09 0.00 0.00 178.44 181.53 2k9h h GLN 88 N 0.77 1.14 -0.84 1.13 4.20 -0.85 0.03 115.11 120.69 2k9h h GLN 88 Ca 0.11 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2k9h h GLN 88 Cb 0.71 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2k9h h GLN 88 CO 0.05 0.91 0.42 0.00 -0.67 0.00 0.00 178.83 179.54 2k9h h ALA 89 N 1.23 1.15 0.61 3.87 0.00 -1.15 -0.59 119.26 124.38 2k9h h ALA 89 Ca 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k9h h ALA 89 Cb 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k9h h ALA 89 CO -0.02 0.65 -0.29 1.25 0.00 0.00 0.00 179.25 180.83 2k9h h HIS 90 N 1.19 -0.76 0.00 0.00 -0.00 -0.76 -3.17 115.15 111.65 2k9h h HIS 90 Ca 0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2k9h h HIS 90 Cb 0.09 0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2k9h h HIS 90 CO 0.01 -0.44 0.00 1.88 -0.00 0.00 0.00 177.93 179.38 2k9h h TYR 91 N -0.92 0.00 0.00 5.26 0.05 -0.88 -1.56 116.97 118.91 2k9h h TYR 91 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2k9h h TYR 91 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 2k9h h TYR 91 CO -0.01 0.00 0.00 0.77 -1.05 0.00 0.00 178.16 177.87 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.07 -3.15 113.55 113.23 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 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 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 -3.08 0.00 -5.14 3.27 -5.35 -0.66 -5.04 119.36 103.36 2k9h n ILE 93 Ca -0.01 -0.46 -0.32 0.00 -0.27 0.00 0.00 62.75 61.69 2k9h n ILE 93 Cb 0.20 1.07 -0.17 0.00 -1.74 0.00 0.00 39.64 39.00 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 3.59 1.12 0.00 0.00 4.76 -1.26 -4.71 118.16 121.65 2k9h n LYS 95 Ca -0.19 -0.86 0.13 0.00 -2.87 0.00 0.00 58.31 54.52 2k9h n LYS 95 Cb 0.53 -0.71 0.68 0.00 -1.84 0.00 0.00 35.03 33.69 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 -0.19 0.00 0.00 -0.35 4.77 -1.26 -4.36 117.00 115.61 2k9h n LEU 96 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2k9h n LEU 96 Cb 0.37 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2k9h n LEU 96 CO 0.00 -0.03 0.14 0.35 -1.33 0.00 0.00 177.39 176.52 2k9h n THR 97 N -1.30 0.00 -1.89 -5.08 -2.24 -1.26 -1.58 114.28 100.93 2k9h n THR 97 Ca 0.13 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.85 2k9h n THR 97 Cb 0.22 -0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.76 0.30 0.00 3.38 0.00 -1.26 -4.58 105.19 102.27 2k9h n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k9h n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36