#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 -0.17 0.13 -5.12 0.00 -1.26 -5.01 105.19 93.76 2k9h n GLY 44 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.21 2k9h n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k9h n SER 45 N 0.00 0.48 -0.30 1.61 3.41 -1.26 -2.14 113.62 115.42 2k9h n SER 45 Ca 0.00 0.70 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 2k9h n SER 45 Cb 0.00 -0.77 0.17 0.00 -0.26 0.00 0.00 64.21 63.35 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 -2.12 1.60 -4.40 4.33 1.56 -1.26 -4.87 117.12 111.96 2k9h n MET 46 Ca -0.01 -2.72 -0.26 0.00 -0.27 0.00 0.00 57.70 54.44 2k9h n MET 46 Cb 0.06 -1.58 -0.17 0.00 2.15 0.00 0.00 33.22 33.68 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 -2.92 1.16 0.60 1.12 1.01 -0.91 -3.96 120.40 116.49 2k9h s VAL 47 Ca 0.35 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 2k9h s VAL 47 Cb 0.30 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2k9h s VAL 47 CO 0.03 0.37 1.33 0.00 0.00 0.00 0.00 175.10 176.83 2k9h n ASP 49 N -1.47 0.38 0.02 0.00 2.03 -1.26 -3.02 116.55 113.24 2k9h n ASP 49 Ca 0.13 0.57 -0.00 0.00 0.52 0.00 0.00 54.79 56.01 2k9h n ASP 49 Cb 0.46 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2k9h n ASP 49 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2k9h n VAL 50 N -1.90 0.48 1.11 5.18 0.31 -1.26 -4.84 118.33 117.41 2k9h n VAL 50 Ca 0.04 0.17 0.14 0.00 -0.01 0.00 0.00 64.34 64.68 2k9h n VAL 50 Cb 0.27 -1.26 0.64 0.00 -0.91 0.00 0.00 33.84 32.58 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 -1.44 -1.78 -4.42 0.00 -0.00 -1.17 -4.69 115.22 101.73 2k9h n HIS 52 Ca 0.09 0.42 -0.24 0.00 0.46 0.00 0.00 57.72 58.45 2k9h n HIS 52 Cb 0.32 -3.31 -0.10 0.00 -0.12 0.00 0.00 29.99 26.78 2k9h n HIS 52 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k9h s HIS 53 N -2.95 2.39 0.85 1.57 5.65 -1.26 -4.69 115.29 116.85 2k9h s HIS 53 Ca 0.32 -0.30 -0.13 0.00 0.25 0.00 0.00 55.06 55.20 2k9h s HIS 53 Cb -0.16 -1.06 0.11 0.00 -1.18 0.00 0.00 32.58 30.29 2k9h s HIS 53 CO 0.40 0.67 1.21 -1.83 -0.65 0.00 0.00 174.74 174.54 2k9h s GLU 54 N -3.45 1.60 0.47 2.88 1.03 -1.25 -1.43 118.70 118.55 2k9h s GLU 54 Ca 0.29 -0.00 0.02 0.00 0.03 0.00 0.00 54.97 55.31 2k9h s GLU 54 Cb -0.06 -1.92 -0.02 0.00 -0.80 0.00 0.00 34.13 31.34 2k9h s GLU 54 CO 0.16 -1.83 0.05 0.00 -1.33 0.00 0.00 175.26 172.31 2k9h h GLU 56 N 1.51 0.75 -4.21 0.00 4.57 -1.96 -3.45 114.58 111.79 2k9h h GLU 56 Ca -0.40 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.58 2k9h h GLU 56 Cb 1.30 -0.15 -0.15 0.00 -0.16 0.00 0.00 28.75 29.59 2k9h h GLU 56 CO 0.67 0.55 -0.65 0.95 -1.18 0.00 0.00 179.01 179.35 2k9h s THR 57 N -5.52 0.20 -0.63 0.32 -4.23 -1.26 -5.05 115.64 99.47 2k9h s THR 57 Ca -0.09 -1.76 0.21 0.00 -1.18 0.00 0.00 61.69 58.87 2k9h s THR 57 Cb 0.17 -1.54 0.21 0.00 1.34 0.00 0.00 72.50 72.68 2k9h s THR 57 CO 0.76 -0.93 1.65 0.00 -0.54 0.00 0.00 174.62 175.56 2k9h n ALA 58 N 0.08 1.67 -0.03 3.99 0.00 -1.26 -2.92 120.51 122.04 2k9h n ALA 58 Ca -0.13 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 2k9h n ALA 58 Cb 0.61 -1.35 -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 0.16 0.00 0.00 3.64 -1.96 -3.34 116.57 115.06 2k9h h LYS 59 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2k9h h LYS 59 Cb 0.34 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k9h h LYS 59 CO 0.00 1.13 0.00 0.39 -2.27 0.00 0.00 179.45 178.70 2k9h n GLU 60 N -4.09 0.11 0.09 1.90 -0.58 -1.21 -2.89 120.64 113.98 2k9h n GLU 60 Ca -0.26 0.34 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 2k9h n GLU 60 Cb 0.81 -1.70 0.62 0.00 -0.57 0.00 0.00 31.44 30.60 2k9h n GLU 60 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k9h h LEU 61 N 0.00 0.10 -0.91 -4.62 5.85 -1.66 -0.76 115.31 113.30 2k9h h LEU 61 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2k9h h LEU 61 Cb 0.32 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2k9h h LEU 61 CO 0.00 0.06 0.05 -0.08 -0.34 0.00 0.00 178.44 178.13 2k9h h GLU 62 N 0.11 0.85 0.02 1.25 4.57 -1.76 -2.25 114.58 117.37 2k9h h GLU 62 Ca 0.15 -0.21 -0.22 0.00 -1.18 0.00 0.00 59.36 57.90 2k9h h GLU 62 Cb 0.44 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2k9h h GLU 62 CO -0.02 0.82 -0.96 0.77 -1.18 0.00 0.00 179.01 178.44 2k9h h SER 63 N 0.80 0.31 0.63 1.04 0.02 -1.45 -3.21 113.55 111.68 2k9h h SER 63 Ca 0.16 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2k9h h SER 63 Cb 0.41 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2k9h h SER 63 CO 0.01 1.11 -0.51 -0.74 -1.14 0.00 0.00 176.83 175.56 2k9h h HIS 64 N 0.12 -1.39 -0.84 3.45 -0.00 -0.91 -2.36 115.15 113.21 2k9h h HIS 64 Ca -0.06 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.39 2k9h h HIS 64 Cb 1.62 0.52 -0.06 0.00 -0.00 0.00 0.00 27.41 29.49 2k9h h HIS 64 CO 0.04 -0.71 0.55 0.07 -0.00 0.00 0.00 177.93 177.88 2k9h h ARG 65 N -1.11 0.84 0.00 5.26 0.11 -1.54 -0.32 114.38 117.63 2k9h h ARG 65 Ca -0.08 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.95 2k9h h ARG 65 Cb 0.93 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2k9h h ARG 65 CO 0.01 0.56 0.00 1.96 0.10 0.00 0.00 179.97 182.59 2k9h h GLN 66 N 0.87 0.00 0.06 0.08 4.20 -1.52 -2.48 115.11 116.31 2k9h h GLN 66 Ca 0.37 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.71 2k9h h GLN 66 Cb 0.32 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2k9h h GLN 66 CO -0.14 0.00 -2.22 0.43 -0.67 0.00 0.00 178.83 176.23 2k9h n SER 67 N -2.97 2.04 -0.32 1.46 7.64 -0.41 -4.43 113.62 116.63 2k9h n SER 67 Ca -0.00 0.07 0.03 0.00 1.01 0.00 0.00 58.87 59.98 2k9h n SER 67 Cb 0.24 -0.66 0.18 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 0.91 0.00 -0.28 0.00 2.10 -1.66 0.06 117.51 118.64 2k9h h ILE 69 Ca 0.42 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.36 2k9h h ILE 69 Cb 0.33 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 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 -2.98 2.75 -0.83 2.19 4.13 -0.77 -4.89 115.26 114.85 2k9h n ASN 70 Ca -0.03 -2.00 -0.09 0.00 1.68 0.00 0.00 54.58 54.15 2k9h n ASN 70 Cb 0.15 -0.19 -0.02 0.00 -1.54 0.00 0.00 39.78 38.18 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 0.33 0.61 3.43 7.41 0.00 0.01 -4.72 105.19 112.26 2k9h n GLY 71 Ca 0.09 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.49 1.56 0.17 1.61 0.74 -0.63 -1.80 119.66 117.82 2k9h s GLN 72 Ca 0.00 -1.41 -0.28 0.00 0.05 0.00 0.00 55.36 53.71 2k9h s GLN 72 Cb 0.00 -1.92 -0.08 0.00 1.10 0.00 0.00 33.01 32.12 2k9h s GLN 72 CO 0.00 0.43 0.89 0.00 -0.55 0.00 0.00 175.29 176.06 2k9h n PRO 74 N 1.97 0.12 0.00 0.00 -0.04 -1.26 -3.39 135.00 132.40 2k9h n PRO 74 Ca -0.02 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2k9h n PRO 74 Cb 0.48 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.02 0.00 1.32 0.54 4.02 -1.26 -4.84 117.16 114.92 2k9h n TYR 75 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.04 2k9h n TYR 75 Cb 0.12 0.12 0.58 0.00 -0.02 0.00 0.00 39.34 40.15 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 -1.10 -1.70 -1.75 0.00 2.81 -1.22 -4.98 117.12 109.18 2k9h n MET 77 Ca 0.13 0.42 -0.39 0.00 -1.81 0.00 0.00 57.70 56.04 2k9h n MET 77 Cb 0.29 -4.88 0.04 0.00 -0.71 0.00 0.00 33.22 27.95 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 -1.97 3.51 -4.93 2.03 -1.04 -1.26 -4.63 114.28 105.98 2k9h n THR 78 Ca 0.00 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.24 2k9h n THR 78 Cb 0.42 -1.73 -0.16 0.00 -1.82 0.00 0.00 70.33 67.04 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 -1.25 1.53 0.00 12.58 1.01 -1.26 -1.60 121.20 132.21 2k9h s ILE 79 Ca 0.68 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2k9h s ILE 79 Cb -0.43 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2k9h s ILE 79 CO 0.52 0.44 0.00 0.35 0.00 0.00 0.00 174.94 176.24 2k9h n THR 80 N 2.82 0.00 -3.68 2.92 -2.24 -0.74 -5.03 114.28 108.32 2k9h n THR 80 Ca -0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2k9h n THR 80 Cb 0.53 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 2k9h n THR 80 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k9h s GLU 81 N 0.00 0.93 0.00 -0.78 2.56 -1.25 -5.03 118.70 115.13 2k9h s GLU 81 Ca 0.00 -0.52 0.25 0.00 0.00 0.00 0.00 54.97 54.70 2k9h s GLU 81 Cb 0.00 0.41 1.47 0.00 2.00 0.00 0.00 34.13 38.01 2k9h s GLU 81 CO 0.00 -0.33 1.86 0.00 -0.56 0.00 0.00 175.26 176.23 2k9h n ALA 82 N 0.29 2.41 -1.78 6.30 0.00 -1.26 -4.32 120.51 122.15 2k9h n ALA 82 Ca -0.18 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.75 2k9h n ALA 82 Cb 0.61 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.07 3.58 0.43 0.00 -4.23 -1.26 -4.82 115.64 107.28 2k9h s THR 83 Ca 0.36 1.15 0.11 0.00 -1.18 0.00 0.00 61.69 62.13 2k9h s THR 83 Cb 0.17 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.67 2k9h s THR 83 CO 0.30 -0.05 2.03 1.05 -0.54 0.00 0.00 174.62 177.41 2k9h h GLU 84 N 2.18 0.25 -0.49 3.99 9.09 -1.89 -1.82 114.58 125.88 2k9h h GLU 84 Ca -0.49 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 58.86 2k9h h GLU 84 Cb 1.22 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.26 2k9h h GLU 84 CO 0.61 0.26 0.20 0.77 0.05 0.00 0.00 179.01 180.90 2k9h h SER 85 N 0.25 0.67 -0.05 3.06 0.02 -1.93 0.15 113.55 115.72 2k9h h SER 85 Ca 0.06 -0.16 -0.22 0.00 -0.84 0.00 0.00 61.79 60.63 2k9h h SER 85 Cb 0.14 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 62.52 2k9h h SER 85 CO 0.00 0.65 -0.82 0.00 -1.14 0.00 0.00 176.83 175.52 2k9h h ALA 86 N 1.05 0.17 -0.27 3.77 0.00 -1.81 -3.11 119.26 119.07 2k9h h ALA 86 Ca 0.16 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2k9h h ALA 86 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k9h h ALA 86 CO -0.01 0.58 -0.10 -0.07 0.00 0.00 0.00 179.25 179.64 2k9h h LEU 87 N 0.30 0.55 -1.04 0.00 3.38 -1.31 -2.45 115.31 114.73 2k9h h LEU 87 Ca -0.09 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k9h h LEU 87 Cb 1.48 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 2k9h h LEU 87 CO 0.16 0.82 0.57 1.56 0.09 0.00 0.00 178.44 181.64 2k9h h GLN 88 N 0.28 1.22 -0.89 1.13 4.20 -1.08 0.49 115.11 120.46 2k9h h GLN 88 Ca 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2k9h h GLN 88 Cb 0.59 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 2k9h h GLN 88 CO 0.03 0.84 0.50 0.00 -0.67 0.00 0.00 178.83 179.54 2k9h h ALA 89 N 1.38 1.13 0.03 3.87 0.00 -1.47 -1.21 119.26 122.99 2k9h h ALA 89 Ca 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2k9h h ALA 89 Cb -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.35 2k9h h ALA 89 CO -0.07 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.04 2k9h h HIS 90 N 1.23 -0.04 0.00 0.00 -0.00 -0.89 -3.21 115.15 112.23 2k9h h HIS 90 Ca 0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 2k9h h HIS 90 Cb -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2k9h h HIS 90 CO 0.01 0.42 0.00 1.88 -0.00 0.00 0.00 177.93 180.23 2k9h h TYR 91 N -0.52 0.00 0.00 5.26 0.05 -0.84 0.76 116.97 121.68 2k9h h TYR 91 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k9h h TYR 91 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2k9h h TYR 91 CO 0.08 0.00 0.00 0.77 -1.05 0.00 0.00 178.16 177.96 2k9h h SER 92 N 0.00 0.00 0.05 3.88 0.02 -1.23 -3.25 113.55 113.03 2k9h h SER 92 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 2k9h h SER 92 Cb 0.27 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 2k9h h SER 92 CO 0.00 0.00 -2.34 -0.38 -1.14 0.00 0.00 176.83 172.97 2k9h n ILE 93 N -3.02 1.49 -3.44 3.27 2.08 0.04 -5.00 119.36 114.78 2k9h n ILE 93 Ca 0.02 -0.71 -0.38 0.00 0.56 0.00 0.00 62.75 62.24 2k9h n ILE 93 Cb 0.35 -1.05 -0.08 0.00 -0.75 0.00 0.00 39.64 38.11 2k9h n ILE 93 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k9h n LYS 95 N 4.36 0.03 0.00 0.00 3.00 -1.26 -4.69 118.16 119.61 2k9h n LYS 95 Ca -0.10 -0.84 0.10 0.00 -0.00 0.00 0.00 58.31 57.48 2k9h n LYS 95 Cb 0.51 -1.05 0.53 0.00 0.00 0.00 0.00 35.03 35.02 2k9h n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k9h n LEU 96 N 0.07 0.00 -0.17 3.14 4.32 -1.26 -4.32 117.00 118.77 2k9h n LEU 96 Ca 0.02 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 2k9h n LEU 96 Cb 0.11 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 2k9h n LEU 96 CO 0.02 -0.08 0.00 0.35 -1.22 0.00 0.00 177.39 176.45 2k9h n THR 97 N -1.28 0.00 -1.66 -5.08 -2.24 -1.26 -1.40 114.28 101.36 2k9h n THR 97 Ca 0.10 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 2k9h n THR 97 Cb 0.17 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.12 0.41 0.00 3.38 0.00 -1.26 -4.04 105.19 103.56 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