#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 0.37 0.32 -5.12 0.00 -1.26 -5.03 105.19 94.46 2k9h n GLY 44 Ca 0.00 -1.06 0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 1.80 0.00 0.67 1.61 4.64 -2.04 -2.47 113.55 117.75 2k9h h SER 45 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2k9h h SER 45 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2k9h h SER 45 CO 0.29 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 177.05 2k9h n MET 46 N -2.94 0.07 -2.89 4.77 1.56 -1.26 -4.84 117.12 111.58 2k9h n MET 46 Ca -0.03 0.12 -0.41 0.00 -0.27 0.00 0.00 57.70 57.12 2k9h n MET 46 Cb 0.16 -1.50 -0.04 0.00 2.15 0.00 0.00 33.22 33.99 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 -2.90 4.89 0.52 1.12 1.01 -0.93 -3.09 120.40 121.02 2k9h s VAL 47 Ca 0.13 1.74 -0.22 0.00 0.00 0.00 0.00 61.98 63.63 2k9h s VAL 47 Cb 0.14 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 2k9h s VAL 47 CO 0.38 0.24 1.26 0.00 0.00 0.00 0.00 175.10 176.99 2k9h h ASP 49 N 1.62 0.00 0.00 0.00 3.58 -1.92 -3.08 116.42 116.61 2k9h h ASP 49 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k9h h ASP 49 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2k9h h ASP 49 CO 0.58 0.00 -0.16 0.52 -2.88 0.00 0.00 179.24 177.30 2k9h n VAL 50 N -2.76 0.79 1.52 2.25 0.31 -1.26 -4.79 118.33 114.39 2k9h n VAL 50 Ca 0.01 0.26 0.14 0.00 -0.01 0.00 0.00 64.34 64.74 2k9h n VAL 50 Cb 0.27 -1.53 0.77 0.00 -0.91 0.00 0.00 33.84 32.43 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 -1.17 -1.65 -4.40 0.00 8.25 -1.17 -4.64 115.22 110.45 2k9h n HIS 52 Ca 0.17 0.49 -0.25 0.00 -0.26 0.00 0.00 57.72 57.87 2k9h n HIS 52 Cb 0.17 -2.31 -0.09 0.00 1.12 0.00 0.00 29.99 28.88 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 -2.90 2.44 0.84 4.41 5.65 -1.26 -4.78 115.29 119.68 2k9h s HIS 53 Ca 0.49 -0.29 -0.12 0.00 0.25 0.00 0.00 55.06 55.39 2k9h s HIS 53 Cb -0.28 -1.10 0.09 0.00 -1.18 0.00 0.00 32.58 30.12 2k9h s HIS 53 CO 0.61 0.64 1.11 -1.83 -0.65 0.00 0.00 174.74 174.61 2k9h s GLU 54 N -3.34 1.76 0.27 2.88 -1.05 -1.26 -1.01 118.70 116.94 2k9h s GLU 54 Ca 0.28 0.53 0.04 0.00 -0.15 0.00 0.00 54.97 55.67 2k9h s GLU 54 Cb -0.06 -1.89 -0.06 0.00 -0.44 0.00 0.00 34.13 31.68 2k9h s GLU 54 CO 0.15 -1.82 0.02 0.00 0.95 0.00 0.00 175.26 174.56 2k9h h GLU 56 N 2.34 0.86 -3.99 0.00 4.81 -1.94 -3.46 114.58 113.20 2k9h h GLU 56 Ca -0.39 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.54 2k9h h GLU 56 Cb 1.23 -0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.34 2k9h h GLU 56 CO 0.66 0.79 -0.53 0.95 -0.73 0.00 0.00 179.01 180.14 2k9h s THR 57 N -5.18 0.17 -0.84 0.32 -4.23 -1.26 -5.05 115.64 99.57 2k9h s THR 57 Ca -0.10 -1.42 0.17 0.00 -1.18 0.00 0.00 61.69 59.15 2k9h s THR 57 Cb 0.15 -1.31 0.15 0.00 1.34 0.00 0.00 72.50 72.83 2k9h s THR 57 CO 0.81 -0.79 1.52 0.00 -0.54 0.00 0.00 174.62 175.62 2k9h n ALA 58 N 0.20 1.63 -0.07 3.99 0.00 -1.26 -2.22 120.51 122.78 2k9h n ALA 58 Ca -0.16 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 2k9h n ALA 58 Cb 0.61 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 2k9h n ALA 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k9h n LYS 59 N -1.72 0.69 0.25 0.00 0.00 -1.26 -4.13 118.16 112.00 2k9h n LYS 59 Ca 0.03 0.25 0.10 0.00 0.00 0.00 0.00 58.31 58.68 2k9h n LYS 59 Cb 0.18 -1.62 0.66 0.00 0.00 0.00 0.00 35.03 34.24 2k9h n LYS 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2k9h h GLU 60 N -0.14 0.00 -0.80 1.64 3.07 -1.93 -2.89 114.58 113.53 2k9h h GLU 60 Ca -0.50 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.51 2k9h h GLU 60 Cb 1.88 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.74 2k9h h GLU 60 CO -0.05 0.13 0.53 1.25 -1.40 0.00 0.00 179.01 179.47 2k9h h LEU 61 N 0.00 0.45 -0.82 1.33 5.85 -1.60 -0.81 115.31 119.72 2k9h h LEU 61 Ca -0.00 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2k9h h LEU 61 Cb 0.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2k9h h LEU 61 CO 0.02 0.23 -0.29 -0.08 -0.34 0.00 0.00 178.44 177.98 2k9h h GLU 62 N 0.48 0.56 -0.10 1.25 4.81 -1.72 -1.72 114.58 118.14 2k9h h GLU 62 Ca 0.40 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 2k9h h GLU 62 Cb 0.85 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2k9h h GLU 62 CO -0.14 0.79 -0.66 0.77 -0.73 0.00 0.00 179.01 179.04 2k9h h SER 63 N 0.49 0.45 0.88 1.04 0.02 -1.42 -3.06 113.55 111.95 2k9h h SER 63 Ca 0.06 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 2k9h h SER 63 Cb 0.74 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k9h h SER 63 CO 0.06 0.98 -0.48 -0.74 -1.14 0.00 0.00 176.83 175.51 2k9h h HIS 64 N 0.28 -1.26 -0.86 3.45 6.17 -0.90 -2.61 115.15 119.43 2k9h h HIS 64 Ca -0.02 -0.02 0.07 0.00 0.71 0.00 0.00 60.37 61.11 2k9h h HIS 64 Cb 1.21 0.43 -0.06 0.00 2.52 0.00 0.00 27.41 31.51 2k9h h HIS 64 CO 0.04 -0.74 0.56 0.07 0.71 0.00 0.00 177.93 178.56 2k9h h ARG 65 N -1.25 0.91 0.00 5.26 0.11 -1.42 -0.15 114.38 117.84 2k9h h ARG 65 Ca -0.12 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.91 2k9h h ARG 65 Cb 0.98 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2k9h h ARG 65 CO 0.16 0.60 0.00 1.96 0.10 0.00 0.00 179.97 182.79 2k9h h GLN 66 N 0.93 0.00 0.06 0.08 4.20 -1.49 -2.13 115.11 116.77 2k9h h GLN 66 Ca 0.37 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.73 2k9h h GLN 66 Cb 0.25 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2k9h h GLN 66 CO -0.14 0.00 -2.03 0.43 -0.67 0.00 0.00 178.83 176.42 2k9h n SER 67 N -3.08 2.03 -0.21 1.46 7.64 -0.49 -4.38 113.62 116.60 2k9h n SER 67 Ca -0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2k9h n SER 67 Cb 0.25 -0.78 0.11 0.00 -1.01 0.00 0.00 64.21 62.79 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 0.42 0.00 -0.23 0.00 6.09 -1.59 -0.69 117.51 121.50 2k9h h ILE 69 Ca 0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.80 2k9h h ILE 69 Cb 0.38 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.51 2k9h h ILE 69 CO -0.30 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.37 2k9h n ASN 70 N -2.94 2.57 -0.98 2.19 3.02 -0.48 -4.94 115.26 113.70 2k9h n ASN 70 Ca -0.03 -1.84 -0.10 0.00 -0.03 0.00 0.00 54.58 52.59 2k9h n ASN 70 Cb 0.17 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.48 0.33 3.49 7.41 0.00 -0.27 -4.82 105.19 111.81 2k9h n GLY 71 Ca 0.09 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.96 1.77 -0.04 1.61 0.74 -0.35 -0.98 119.66 118.45 2k9h s GLN 72 Ca 0.00 -1.30 -0.20 0.00 0.05 0.00 0.00 55.36 53.91 2k9h s GLN 72 Cb 0.00 -2.05 -0.05 0.00 1.10 0.00 0.00 33.01 32.01 2k9h s GLN 72 CO 0.00 0.45 0.56 0.00 -0.55 0.00 0.00 175.29 175.75 2k9h n PRO 74 N 2.99 0.04 0.00 0.00 -0.04 -1.26 -3.29 135.00 133.44 2k9h n PRO 74 Ca -0.07 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2k9h n PRO 74 Cb 0.51 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.67 0.00 1.47 0.54 4.02 -1.26 -4.85 117.16 115.41 2k9h n TYR 75 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.05 2k9h n TYR 75 Cb 0.08 0.21 0.67 0.00 -0.02 0.00 0.00 39.34 40.29 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 -0.99 -1.58 -1.79 0.00 2.81 -1.21 -4.98 117.12 109.39 2k9h n MET 77 Ca 0.16 0.91 -0.40 0.00 -1.81 0.00 0.00 57.70 56.55 2k9h n MET 77 Cb 0.26 -5.23 0.02 0.00 -0.71 0.00 0.00 33.22 27.55 2k9h n MET 77 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2k9h s THR 78 N -2.08 2.04 -0.06 2.03 2.01 -1.26 -4.69 115.64 113.64 2k9h s THR 78 Ca 0.00 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2k9h s THR 78 Cb 0.00 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 2k9h s THR 78 CO 0.00 0.01 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.12 2k9h s ILE 79 N -1.19 2.65 0.04 1.82 -1.09 -1.26 -1.86 121.20 120.31 2k9h s ILE 79 Ca 0.60 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 58.15 2k9h s ILE 79 Cb -0.44 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 2k9h s ILE 79 CO 0.57 0.58 0.06 1.07 -1.23 0.00 0.00 174.94 175.99 2k9h n THR 80 N 2.65 0.00 -2.16 2.92 5.66 -0.15 -5.03 114.28 118.17 2k9h n THR 80 Ca -0.17 -0.13 -0.36 0.00 -3.05 0.00 0.00 64.05 60.34 2k9h n THR 80 Cb 0.52 0.10 0.01 0.00 -1.55 0.00 0.00 70.33 69.41 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 -2.04 3.33 0.00 1.09 8.01 -1.26 -4.47 118.70 123.36 2k9h s GLU 81 Ca 0.02 1.76 0.18 0.00 0.01 0.00 0.00 54.97 56.94 2k9h s GLU 81 Cb -0.00 -2.10 1.09 0.00 -4.31 0.00 0.00 34.13 28.81 2k9h s GLU 81 CO 0.02 -0.90 1.54 0.00 0.01 0.00 0.00 175.26 175.92 2k9h n ALA 82 N -1.16 2.33 -1.78 5.21 0.00 -1.26 -4.26 120.51 119.59 2k9h n ALA 82 Ca 0.11 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2k9h n ALA 82 Cb 0.49 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 3.41 0.39 0.00 -4.23 -1.26 -4.81 115.64 107.15 2k9h s THR 83 Ca 0.27 0.88 0.07 0.00 -1.18 0.00 0.00 61.69 61.73 2k9h s THR 83 Cb 0.13 -3.36 0.22 0.00 1.34 0.00 0.00 72.50 70.83 2k9h s THR 83 CO 0.21 -0.19 1.99 1.05 -0.54 0.00 0.00 174.62 177.15 2k9h h GLU 84 N 1.35 0.49 -0.63 3.99 9.09 -1.89 -1.84 114.58 125.14 2k9h h GLU 84 Ca -0.50 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 58.83 2k9h h GLU 84 Cb 1.25 -0.10 -0.03 0.00 -1.65 0.00 0.00 28.75 28.22 2k9h h GLU 84 CO 0.58 0.40 0.28 0.77 0.05 0.00 0.00 179.01 181.09 2k9h h SER 85 N 0.49 0.84 -0.06 3.06 0.02 -1.93 0.16 113.55 116.12 2k9h h SER 85 Ca 0.12 -0.15 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 2k9h h SER 85 Cb 0.10 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.43 2k9h h SER 85 CO -0.01 0.75 -0.70 0.00 -1.14 0.00 0.00 176.83 175.73 2k9h h ALA 86 N 1.12 0.17 -0.38 3.77 0.00 -1.78 -2.97 119.26 119.18 2k9h h ALA 86 Ca 0.21 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2k9h h ALA 86 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k9h h ALA 86 CO -0.02 0.49 0.01 -0.07 0.00 0.00 0.00 179.25 179.66 2k9h h LEU 87 N 0.19 0.64 -1.03 0.00 3.38 -1.30 -2.71 115.31 114.48 2k9h h LEU 87 Ca -0.07 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2k9h h LEU 87 Cb 1.36 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2k9h h LEU 87 CO 0.14 0.79 0.48 1.56 0.09 0.00 0.00 178.44 181.50 2k9h h GLN 88 N 0.48 1.15 -0.57 1.13 4.20 -1.06 -0.53 115.11 119.91 2k9h h GLN 88 Ca 0.11 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2k9h h GLN 88 Cb 0.45 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2k9h h GLN 88 CO 0.02 0.82 0.33 0.00 -0.67 0.00 0.00 178.83 179.33 2k9h h ALA 89 N 1.37 1.50 0.16 3.87 0.00 -1.38 -0.53 119.26 124.25 2k9h h ALA 89 Ca 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2k9h h ALA 89 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2k9h h ALA 89 CO -0.05 0.42 -0.08 1.25 0.00 0.00 0.00 179.25 180.79 2k9h h HIS 90 N 0.78 -0.20 0.00 0.00 -0.00 -1.06 -3.30 115.15 111.38 2k9h h HIS 90 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 2k9h h HIS 90 Cb -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 2k9h h HIS 90 CO 0.00 0.24 0.00 1.88 -0.00 0.00 0.00 177.93 180.05 2k9h h TYR 91 N -0.81 0.00 0.00 5.26 0.05 -0.99 -1.43 116.97 119.05 2k9h h TYR 91 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2k9h h TYR 91 Cb 0.53 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 2k9h h TYR 91 CO 0.08 0.00 -0.02 0.77 -1.05 0.00 0.00 178.16 177.95 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.16 -3.20 113.55 113.09 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 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2k9h h SER 92 CO 0.00 0.02 0.00 2.30 -1.14 0.00 0.00 176.83 178.01 2k9h n ILE 93 N -3.15 0.00 -4.18 3.27 -5.35 -0.63 -5.04 119.36 104.28 2k9h n ILE 93 Ca -0.01 -0.47 -0.34 0.00 -0.27 0.00 0.00 62.75 61.66 2k9h n ILE 93 Cb 0.20 1.01 -0.11 0.00 -1.74 0.00 0.00 39.64 39.01 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 3.45 0.85 0.00 0.00 4.76 -1.26 -4.76 118.16 121.19 2k9h n LYS 95 Ca -0.17 -0.91 0.11 0.00 -2.87 0.00 0.00 58.31 54.47 2k9h n LYS 95 Cb 0.52 -0.68 0.54 0.00 -1.84 0.00 0.00 35.03 33.58 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 -0.20 0.00 -0.50 -0.35 4.32 -1.26 -4.43 117.00 114.59 2k9h n LEU 96 Ca 0.01 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 2k9h n LEU 96 Cb 0.46 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2k9h n LEU 96 CO 0.00 -0.09 0.00 0.35 -1.22 0.00 0.00 177.39 176.43 2k9h n THR 97 N -1.36 0.00 -1.68 -5.08 -2.24 -1.26 -1.39 114.28 101.26 2k9h n THR 97 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2k9h n THR 97 Cb 0.21 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.37 0.75 0.00 3.38 0.00 -1.26 -4.60 105.19 103.82 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 0.54 0.00 0.00 0.00 173.32 173.86