#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 1.51 0.25 -5.12 0.00 -1.26 -5.05 105.19 95.52 2k9h n GLY 44 Ca 0.00 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.15 2k9h n GLY 44 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k9h h SER 45 N 0.20 0.00 -0.25 1.61 0.02 -2.04 -1.81 113.55 111.27 2k9h h SER 45 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k9h h SER 45 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k9h h SER 45 CO 0.04 0.00 0.00 0.80 -1.14 0.00 0.00 176.83 176.53 2k9h n MET 46 N -2.48 1.77 -5.15 3.45 1.56 -1.26 -4.91 117.12 110.10 2k9h n MET 46 Ca -0.01 -1.17 -0.32 0.00 -0.27 0.00 0.00 57.70 55.93 2k9h n MET 46 Cb 0.34 -1.34 -0.15 0.00 2.15 0.00 0.00 33.22 34.22 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 -1.67 2.42 0.51 1.12 1.01 -0.68 -4.37 120.40 118.74 2k9h s VAL 47 Ca 0.28 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 2k9h s VAL 47 Cb 0.15 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 2k9h s VAL 47 CO 0.22 0.58 1.37 0.00 0.00 0.00 0.00 175.10 177.27 2k9h n ASP 49 N -0.75 0.60 0.00 0.00 8.00 -1.26 -3.15 116.55 119.99 2k9h n ASP 49 Ca 0.09 0.60 -0.03 0.00 0.71 0.00 0.00 54.79 56.16 2k9h n ASP 49 Cb 0.44 -0.74 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 2k9h n ASP 49 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k9h n VAL 50 N -2.11 1.14 1.50 2.53 0.31 -1.26 -4.79 118.33 115.65 2k9h n VAL 50 Ca 0.04 0.30 0.14 0.00 -0.01 0.00 0.00 64.34 64.81 2k9h n VAL 50 Cb 0.32 -1.75 0.54 0.00 -0.91 0.00 0.00 33.84 32.04 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 0.09 -1.60 -4.35 0.00 -0.00 -1.19 -4.69 115.22 103.49 2k9h n HIS 52 Ca 0.19 0.77 -0.25 0.00 -0.00 0.00 0.00 57.72 58.43 2k9h n HIS 52 Cb 0.33 -2.68 -0.09 0.00 -0.00 0.00 0.00 29.99 27.55 2k9h n HIS 52 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k9h s HIS 53 N -3.28 2.55 0.57 4.41 5.65 -1.26 -4.79 115.29 119.13 2k9h s HIS 53 Ca 0.77 -0.50 -0.02 0.00 0.25 0.00 0.00 55.06 55.56 2k9h s HIS 53 Cb -0.43 -1.61 0.03 0.00 -1.18 0.00 0.00 32.58 29.39 2k9h s HIS 53 CO 0.95 0.43 0.83 -2.00 -0.65 0.00 0.00 174.74 174.30 2k9h s GLU 54 N -3.74 2.65 0.19 2.88 2.12 -1.26 -1.15 118.70 120.38 2k9h s GLU 54 Ca 0.36 -0.46 0.03 0.00 0.36 0.00 0.00 54.97 55.26 2k9h s GLU 54 Cb 0.02 -2.39 -0.05 0.00 0.26 0.00 0.00 34.13 31.97 2k9h s GLU 54 CO 0.20 -0.73 -0.02 0.00 -0.54 0.00 0.00 175.26 174.17 2k9h h GLU 56 N 2.64 0.43 -4.03 0.00 4.39 -1.88 -3.44 114.58 112.68 2k9h h GLU 56 Ca -0.37 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.19 2k9h h GLU 56 Cb 1.21 -0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 29.60 2k9h h GLU 56 CO 0.63 0.29 -0.57 0.95 -1.16 0.00 0.00 179.01 179.15 2k9h s THR 57 N -5.42 0.18 -0.20 1.13 -4.23 -1.26 -5.05 115.64 100.79 2k9h s THR 57 Ca -0.08 -1.47 0.28 0.00 -1.18 0.00 0.00 61.69 59.24 2k9h s THR 57 Cb 0.19 -1.30 0.30 0.00 1.34 0.00 0.00 72.50 73.03 2k9h s THR 57 CO 0.74 -0.81 1.83 0.00 -0.54 0.00 0.00 174.62 175.84 2k9h h ALA 58 N 3.21 1.00 0.02 3.99 0.00 -1.96 -2.13 119.26 123.39 2k9h h ALA 58 Ca -0.34 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2k9h h ALA 58 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k9h h ALA 58 CO 0.59 0.00 -0.69 -0.22 0.00 0.00 0.00 179.25 178.93 2k9h h LYS 59 N 0.00 0.04 0.00 0.00 3.11 -1.98 -3.33 116.57 114.41 2k9h h LYS 59 Ca 0.00 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2k9h h LYS 59 Cb 0.32 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2k9h h LYS 59 CO 0.00 1.04 0.00 0.93 -2.81 0.00 0.00 179.45 178.61 2k9h h GLU 60 N -0.88 0.00 0.00 1.90 4.39 -1.89 -1.82 114.58 116.28 2k9h h GLU 60 Ca -0.18 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 2k9h h GLU 60 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2k9h h GLU 60 CO -0.07 0.00 -0.18 1.25 -1.16 0.00 0.00 179.01 178.85 2k9h h LEU 61 N 0.00 0.00 -0.48 1.33 5.85 -1.50 0.05 115.31 120.56 2k9h h LEU 61 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 2k9h h LEU 61 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2k9h h LEU 61 CO 0.00 0.18 -0.58 -0.08 -0.34 0.00 0.00 178.44 177.62 2k9h h GLU 62 N 0.00 0.55 -0.13 1.25 4.81 -1.50 -2.75 114.58 116.81 2k9h h GLU 62 Ca -0.00 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 2k9h h GLU 62 Cb 0.34 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2k9h h GLU 62 CO 0.02 0.98 -0.32 0.77 -0.73 0.00 0.00 179.01 179.73 2k9h h SER 63 N 0.41 0.26 0.52 1.04 0.02 -1.42 -3.14 113.55 111.24 2k9h h SER 63 Ca 0.00 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2k9h h SER 63 Cb 1.13 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.61 2k9h h SER 63 CO 0.11 0.58 -0.25 -0.74 -1.14 0.00 0.00 176.83 175.39 2k9h h HIS 64 N 0.23 -0.64 -1.00 3.45 6.17 -0.88 -3.17 115.15 119.30 2k9h h HIS 64 Ca 0.03 -0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.16 2k9h h HIS 64 Cb 0.68 0.21 -0.07 0.00 2.52 0.00 0.00 27.41 30.76 2k9h h HIS 64 CO 0.01 -0.40 0.65 0.07 0.71 0.00 0.00 177.93 178.97 2k9h h ARG 65 N -0.83 1.15 0.00 5.26 0.11 -1.58 -1.03 114.38 117.45 2k9h h ARG 65 Ca -0.07 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2k9h h ARG 65 Cb 0.53 -0.26 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2k9h h ARG 65 CO 0.12 0.76 0.00 -0.56 0.10 0.00 0.00 179.97 180.39 2k9h h GLN 66 N 1.18 0.00 0.07 0.08 3.07 -1.66 -2.71 115.11 115.14 2k9h h GLN 66 Ca 0.43 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.80 2k9h h GLN 66 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.68 2k9h h GLN 66 CO -0.17 0.00 -2.20 0.43 0.09 0.00 0.00 178.83 176.98 2k9h n SER 67 N -2.85 2.06 -0.33 0.06 7.64 -0.65 -4.42 113.62 115.12 2k9h n SER 67 Ca 0.00 0.07 0.04 0.00 1.01 0.00 0.00 58.87 59.99 2k9h n SER 67 Cb 0.24 -0.67 0.19 0.00 -1.01 0.00 0.00 64.21 62.96 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 0.94 0.00 -0.31 0.00 2.10 -1.69 -0.04 117.51 118.51 2k9h h ILE 69 Ca 0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.37 2k9h h ILE 69 Cb 0.35 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 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 -2.99 2.82 -1.24 2.19 4.13 -0.78 -4.93 115.26 114.45 2k9h n ASN 70 Ca -0.03 -1.98 -0.13 0.00 1.68 0.00 0.00 54.58 54.13 2k9h n ASN 70 Cb 0.16 -0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.16 2k9h n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k9h n GLY 71 N 0.44 0.54 3.45 7.41 0.00 -0.03 -4.79 105.19 112.22 2k9h n GLY 71 Ca 0.11 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.93 1.76 0.13 1.61 0.74 -0.73 -0.92 119.66 118.32 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 -2.08 -0.06 0.00 1.10 0.00 0.00 33.01 31.97 2k9h s GLN 72 CO 0.00 0.49 0.96 0.00 -0.55 0.00 0.00 175.29 176.19 2k9h h PRO 74 N 5.31 0.22 0.00 0.00 0.11 -1.88 -3.33 132.00 132.43 2k9h h PRO 74 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k9h h PRO 74 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k9h h PRO 74 CO 0.71 0.15 -0.03 0.66 -0.21 0.00 0.00 178.00 179.28 2k9h n TYR 75 N -4.43 0.00 1.37 0.65 4.01 -1.26 -4.85 117.16 112.66 2k9h n TYR 75 Ca 0.21 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.10 2k9h n TYR 75 Cb 0.90 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 40.57 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 -1.10 -1.57 -1.98 0.00 2.81 -1.25 -5.00 117.12 109.02 2k9h n MET 77 Ca 0.14 0.67 -0.40 0.00 -1.81 0.00 0.00 57.70 56.30 2k9h n MET 77 Cb 0.27 -4.96 -0.00 0.00 -0.71 0.00 0.00 33.22 27.81 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 -1.66 2.44 -0.01 2.03 2.01 -1.26 -4.78 115.64 114.41 2k9h s THR 78 Ca 0.00 0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.45 2k9h s THR 78 Cb 0.00 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2k9h s THR 78 CO 0.00 0.07 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.24 2k9h s ILE 79 N -1.20 1.09 0.00 1.82 1.01 -1.26 -1.09 121.20 121.57 2k9h s ILE 79 Ca 0.55 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2k9h s ILE 79 Cb -0.41 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2k9h s ILE 79 CO 0.53 0.31 0.00 1.07 0.00 0.00 0.00 174.94 176.86 2k9h n THR 80 N 2.82 0.00 -1.79 2.92 5.66 -0.10 -5.02 114.28 118.77 2k9h n THR 80 Ca -0.15 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.50 2k9h n THR 80 Cb 0.55 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.38 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 -1.02 2.68 0.00 1.09 0.41 -1.26 -4.47 118.70 116.14 2k9h s GLU 81 Ca 0.00 1.72 0.23 0.00 -0.41 0.00 0.00 54.97 56.51 2k9h s GLU 81 Cb 0.00 -1.90 1.37 0.00 -1.78 0.00 0.00 34.13 31.82 2k9h s GLU 81 CO 0.00 -1.41 1.76 0.00 -0.49 0.00 0.00 175.26 175.12 2k9h n ALA 82 N -2.10 2.40 -1.78 5.21 0.00 -1.26 -4.33 120.51 118.66 2k9h n ALA 82 Ca 0.13 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 2k9h n ALA 82 Cb 0.50 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 3.38 0.28 0.00 -4.23 -1.26 -4.81 115.64 107.01 2k9h s THR 83 Ca 0.34 0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 61.76 2k9h s THR 83 Cb 0.16 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.85 2k9h s THR 83 CO 0.27 -0.12 1.93 1.05 -0.54 0.00 0.00 174.62 177.20 2k9h h GLU 84 N 1.68 1.12 -0.56 3.99 9.09 -1.89 -1.99 114.58 126.02 2k9h h GLU 84 Ca -0.49 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 58.85 2k9h h GLU 84 Cb 1.24 -0.25 -0.03 0.00 -1.65 0.00 0.00 28.75 28.06 2k9h h GLU 84 CO 0.59 0.74 0.36 1.03 0.05 0.00 0.00 179.01 181.78 2k9h h SER 85 N 1.15 0.64 -0.24 3.06 0.87 -1.93 0.11 113.55 117.22 2k9h h SER 85 Ca 0.37 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.78 2k9h h SER 85 Cb 0.02 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2k9h h SER 85 CO -0.11 0.47 -0.33 0.00 -0.53 0.00 0.00 176.83 176.33 2k9h h ALA 86 N 1.20 0.36 -0.41 6.23 0.00 -1.80 -2.63 119.26 122.22 2k9h h ALA 86 Ca 0.20 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2k9h h ALA 86 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2k9h h ALA 86 CO -0.04 0.41 -0.29 -0.07 0.00 0.00 0.00 179.25 179.25 2k9h h LEU 87 N 0.35 0.94 -0.89 0.00 3.38 -1.27 -2.21 115.31 115.61 2k9h h LEU 87 Ca 0.03 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2k9h h LEU 87 Cb 0.91 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2k9h h LEU 87 CO 0.08 1.16 0.31 1.56 0.09 0.00 0.00 178.44 181.64 2k9h h GLN 88 N 0.76 1.12 -0.87 1.13 4.20 -0.81 -0.06 115.11 120.58 2k9h h GLN 88 Ca 0.08 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2k9h h GLN 88 Cb 0.86 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 2k9h h GLN 88 CO 0.08 0.90 0.45 0.00 -0.67 0.00 0.00 178.83 179.59 2k9h h ALA 89 N 1.24 1.15 0.57 3.87 0.00 -1.33 -0.97 119.26 123.80 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 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2k9h h ALA 89 CO -0.02 0.66 -0.27 1.25 0.00 0.00 0.00 179.25 180.87 2k9h h HIS 90 N 1.23 -0.71 0.00 0.00 -0.00 -0.84 -3.20 115.15 111.64 2k9h h HIS 90 Ca 0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 2k9h h HIS 90 Cb 0.07 0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2k9h h HIS 90 CO 0.01 -0.39 0.00 1.88 -0.00 0.00 0.00 177.93 179.44 2k9h h TYR 91 N -0.93 0.00 0.00 5.26 0.05 -0.92 -1.33 116.97 119.11 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 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 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 -1.16 -3.18 113.55 113.11 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 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 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 0.13 -4.91 3.27 -6.64 -0.55 -5.04 119.36 102.53 2k9h n ILE 93 Ca -0.01 -0.53 -0.27 0.00 -1.77 0.00 0.00 62.75 60.16 2k9h n ILE 93 Cb 0.21 0.99 -0.16 0.00 -1.44 0.00 0.00 39.64 39.24 2k9h n ILE 93 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k9h n LYS 95 N 3.23 -0.45 0.00 0.00 4.76 -1.26 -4.72 118.16 119.71 2k9h n LYS 95 Ca -0.19 -0.27 0.09 0.00 -2.87 0.00 0.00 58.31 55.07 2k9h n LYS 95 Cb 0.53 -0.77 0.48 0.00 -1.84 0.00 0.00 35.03 33.43 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 -0.01 0.00 0.05 -0.35 4.77 -1.26 -4.01 117.00 116.19 2k9h n LEU 96 Ca 0.00 0.26 0.21 0.00 -0.03 0.00 0.00 56.01 56.46 2k9h n LEU 96 Cb 0.11 -0.26 0.69 0.00 -2.33 0.00 0.00 43.42 41.63 2k9h n LEU 96 CO 0.00 -0.10 1.19 0.71 -1.33 0.00 0.00 177.39 177.86 2k9h h THR 97 N 0.00 0.28 0.00 -5.08 1.35 -1.97 -3.22 112.91 104.27 2k9h h THR 97 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 2k9h h THR 97 Cb 0.16 0.53 -0.13 0.00 -1.73 0.00 0.00 68.15 66.98 2k9h h THR 97 CO 0.00 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 175.61 2k9h n GLY 98 N -1.52 0.99 0.00 5.82 0.00 -1.26 -4.80 105.19 104.43 2k9h n GLY 98 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2k9h n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19