#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 -0.15 0.61 -5.12 0.00 -1.26 -5.05 107.32 96.34 2k9h s GLY 44 Ca 0.00 0.05 0.31 0.00 0.00 0.00 0.00 44.72 45.08 2k9h s GLY 44 CO 0.00 0.63 2.17 1.48 0.00 0.00 0.00 173.10 177.38 2k9h h SER 45 N 2.00 0.00 0.43 1.64 4.64 -2.04 -2.61 113.55 117.61 2k9h h SER 45 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2k9h h SER 45 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 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 -3.66 0.21 -3.03 4.77 1.56 -1.26 -4.77 117.12 110.94 2k9h n MET 46 Ca -0.01 0.12 -0.40 0.00 -0.27 0.00 0.00 57.70 57.14 2k9h n MET 46 Cb 0.22 -1.50 -0.05 0.00 2.15 0.00 0.00 33.22 34.05 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 -2.67 5.02 0.36 1.12 1.01 -0.99 -3.05 120.40 121.20 2k9h s VAL 47 Ca 0.16 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.31 2k9h s VAL 47 Cb 0.13 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 2k9h s VAL 47 CO 0.31 0.21 1.40 0.00 0.00 0.00 0.00 175.10 177.02 2k9h n ASP 49 N 0.68 0.20 0.00 0.00 8.00 -1.26 -2.73 116.55 121.45 2k9h n ASP 49 Ca 0.03 0.56 -0.00 0.00 0.71 0.00 0.00 54.79 56.10 2k9h n ASP 49 Cb 0.37 -0.60 -0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.74 0.07 1.06 2.53 0.31 -1.26 -4.81 118.33 114.49 2k9h n VAL 50 Ca 0.02 0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.50 2k9h n VAL 50 Cb 0.13 -1.07 0.53 0.00 -0.91 0.00 0.00 33.84 32.51 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 -1.16 -1.63 -4.34 0.00 -0.00 -1.10 -4.62 115.22 102.36 2k9h n HIS 52 Ca 0.12 0.70 -0.29 0.00 -0.00 0.00 0.00 57.72 58.24 2k9h n HIS 52 Cb 0.12 -2.60 -0.12 0.00 -0.00 0.00 0.00 29.99 27.38 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 -3.17 2.45 0.11 4.41 5.65 -1.26 -4.82 115.29 118.65 2k9h s HIS 53 Ca 0.69 -0.31 -0.30 0.00 0.25 0.00 0.00 55.06 55.39 2k9h s HIS 53 Cb -0.39 -1.30 -0.06 0.00 -1.18 0.00 0.00 32.58 29.65 2k9h s HIS 53 CO 0.85 0.37 1.09 -2.00 -0.65 0.00 0.00 174.74 174.40 2k9h s GLU 54 N -2.13 4.56 1.01 2.88 2.12 -1.26 -1.24 118.70 124.63 2k9h s GLU 54 Ca 0.17 1.64 -0.15 0.00 0.36 0.00 0.00 54.97 56.99 2k9h s GLU 54 Cb -0.10 -3.34 0.19 0.00 0.26 0.00 0.00 34.13 31.14 2k9h s GLU 54 CO 0.09 -0.01 1.17 0.00 -0.54 0.00 0.00 175.26 175.96 2k9h h GLU 56 N -1.84 0.73 -3.65 0.00 4.57 -1.94 -3.46 114.58 108.98 2k9h h GLU 56 Ca -0.48 -0.45 -0.14 0.00 -1.18 0.00 0.00 59.36 57.11 2k9h h GLU 56 Cb 1.30 0.05 -0.19 0.00 -0.16 0.00 0.00 28.75 29.75 2k9h h GLU 56 CO 0.49 1.08 -0.50 0.95 -1.18 0.00 0.00 179.01 179.84 2k9h s THR 57 N -4.15 0.11 -0.63 0.32 -4.23 -1.26 -5.05 115.64 100.75 2k9h s THR 57 Ca -0.12 -0.87 0.13 0.00 -1.18 0.00 0.00 61.69 59.65 2k9h s THR 57 Cb 0.09 -0.64 0.12 0.00 1.34 0.00 0.00 72.50 73.41 2k9h s THR 57 CO 0.85 -0.48 1.39 0.00 -0.54 0.00 0.00 174.62 175.84 2k9h n ALA 58 N 1.13 1.16 0.04 3.99 0.00 -1.26 -2.36 120.51 123.21 2k9h n ALA 58 Ca -0.21 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 2k9h n ALA 58 Cb 0.57 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 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 0.29 0.00 0.00 3.64 -2.01 -3.34 116.57 115.15 2k9h h LYS 59 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2k9h h LYS 59 Cb 0.07 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2k9h h LYS 59 CO 0.00 1.24 0.00 0.93 -2.27 0.00 0.00 179.45 179.35 2k9h h GLU 60 N -0.33 0.00 -0.95 1.90 4.39 -1.82 -3.34 114.58 114.43 2k9h h GLU 60 Ca -0.21 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.73 2k9h h GLU 60 Cb 1.71 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.24 2k9h h GLU 60 CO 0.12 0.00 0.50 1.25 -1.16 0.00 0.00 179.01 179.72 2k9h h LEU 61 N 0.00 0.51 -0.32 1.33 5.85 -1.64 -0.22 115.31 120.83 2k9h h LEU 61 Ca 0.00 0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 2k9h h LEU 61 Cb 0.57 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2k9h h LEU 61 CO 0.00 0.05 -0.40 -0.08 -0.34 0.00 0.00 178.44 177.66 2k9h h GLU 62 N 0.49 0.83 -0.64 1.25 4.81 -1.82 -2.45 114.58 117.05 2k9h h GLU 62 Ca 0.61 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2k9h h GLU 62 Cb 1.17 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2k9h h GLU 62 CO -0.51 1.11 0.27 1.03 -0.73 0.00 0.00 179.01 180.18 2k9h h SER 63 N 0.61 0.85 0.73 1.04 0.87 -1.54 -1.98 113.55 114.13 2k9h h SER 63 Ca 0.04 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2k9h h SER 63 Cb 1.00 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2k9h h SER 63 CO 0.10 0.75 -0.46 -0.74 -0.53 0.00 0.00 176.83 175.95 2k9h h HIS 64 N 0.92 -1.24 -0.90 2.24 6.17 -0.94 -2.17 115.15 119.24 2k9h h HIS 64 Ca 0.22 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.30 2k9h h HIS 64 Cb 0.16 0.44 -0.05 0.00 2.52 0.00 0.00 27.41 30.49 2k9h h HIS 64 CO 0.01 -0.68 0.60 0.07 0.71 0.00 0.00 177.93 178.63 2k9h h ARG 65 N -1.12 1.17 0.00 5.26 0.11 -1.38 -0.16 114.38 118.26 2k9h h ARG 65 Ca -0.10 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.91 2k9h h ARG 65 Cb 0.90 -0.26 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2k9h h ARG 65 CO 0.09 0.77 0.00 1.96 0.10 0.00 0.00 179.97 182.89 2k9h h GLN 66 N 1.21 0.00 0.04 0.08 1.08 -1.29 -1.69 115.11 114.54 2k9h h GLN 66 Ca 0.33 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 57.16 2k9h h GLN 66 Cb -0.12 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.27 2k9h h GLN 66 CO -0.08 0.00 -2.13 0.43 -0.95 0.00 0.00 178.83 176.10 2k9h n SER 67 N -3.06 2.01 -0.24 1.46 7.64 -0.70 -4.39 113.62 116.34 2k9h n SER 67 Ca -0.01 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2k9h n SER 67 Cb 0.20 -0.73 0.12 0.00 -1.01 0.00 0.00 64.21 62.80 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 0.62 0.00 -0.28 0.00 6.09 -1.52 -0.20 117.51 122.22 2k9h h ILE 69 Ca 0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.82 2k9h h ILE 69 Cb 0.31 0.88 0.00 0.00 0.47 0.00 0.00 36.82 38.49 2k9h h ILE 69 CO -0.24 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.43 2k9h n ASN 70 N -2.96 2.71 -0.84 2.19 3.02 -0.61 -4.94 115.26 113.83 2k9h n ASN 70 Ca -0.03 -1.88 -0.10 0.00 -0.03 0.00 0.00 54.58 52.54 2k9h n ASN 70 Cb 0.13 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.54 0.89 3.47 7.41 0.00 -0.09 -4.82 105.19 112.58 2k9h n GLY 71 Ca 0.11 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.19 1.67 0.18 1.61 0.74 -0.36 -0.87 119.66 119.43 2k9h s GLN 72 Ca 0.00 -1.46 -0.29 0.00 0.05 0.00 0.00 55.36 53.66 2k9h s GLN 72 Cb 0.00 -1.93 -0.08 0.00 1.10 0.00 0.00 33.01 32.10 2k9h s GLN 72 CO 0.00 0.41 0.93 0.00 -0.55 0.00 0.00 175.29 176.07 2k9h n PRO 74 N 2.00 0.16 0.00 0.00 -0.04 -1.26 -3.48 135.00 132.37 2k9h n PRO 74 Ca -0.01 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2k9h n PRO 74 Cb 0.48 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.20 0.00 1.46 0.54 4.02 -1.26 -4.84 117.16 114.89 2k9h n TYR 75 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 2k9h n TYR 75 Cb 0.14 0.23 0.74 0.00 -0.02 0.00 0.00 39.34 40.42 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 -1.19 -1.90 -1.67 0.00 2.81 -1.23 -4.98 117.12 108.95 2k9h n MET 77 Ca 0.15 0.60 -0.43 0.00 -1.81 0.00 0.00 57.70 56.21 2k9h n MET 77 Cb 0.24 -5.07 -0.01 0.00 -0.71 0.00 0.00 33.22 27.67 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 -2.06 1.89 -5.17 2.03 -1.04 -1.26 -4.57 114.28 104.10 2k9h n THR 78 Ca -0.03 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.05 61.19 2k9h n THR 78 Cb 0.52 -1.45 -0.15 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.98 2.36 0.02 12.58 1.01 -1.26 -1.15 121.20 133.79 2k9h s ILE 79 Ca 0.57 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2k9h s ILE 79 Cb -0.60 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.00 2k9h s ILE 79 CO 0.60 0.58 0.04 1.07 0.00 0.00 0.00 174.94 177.23 2k9h n THR 80 N 2.55 0.00 -2.13 2.92 5.66 -0.05 -5.02 114.28 118.20 2k9h n THR 80 Ca -0.17 -0.10 -0.36 0.00 -3.05 0.00 0.00 64.05 60.37 2k9h n THR 80 Cb 0.52 0.07 0.01 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 -2.04 3.27 0.00 1.09 8.01 -1.26 -4.50 118.70 123.27 2k9h s GLU 81 Ca 0.02 1.77 0.12 0.00 0.01 0.00 0.00 54.97 56.89 2k9h s GLU 81 Cb -0.00 -2.07 0.74 0.00 -4.31 0.00 0.00 34.13 28.50 2k9h s GLU 81 CO 0.01 -0.95 1.26 0.00 0.01 0.00 0.00 175.26 175.59 2k9h n ALA 82 N -1.24 2.27 -1.78 5.21 0.00 -1.26 -4.28 120.51 119.44 2k9h n ALA 82 Ca 0.12 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2k9h n ALA 82 Cb 0.49 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 3.56 0.35 0.00 -4.23 -1.26 -4.82 115.64 107.24 2k9h s THR 83 Ca 0.19 0.96 0.03 0.00 -1.18 0.00 0.00 61.69 61.68 2k9h s THR 83 Cb 0.09 -3.38 0.23 0.00 1.34 0.00 0.00 72.50 70.78 2k9h s THR 83 CO 0.14 -0.23 1.97 1.05 -0.54 0.00 0.00 174.62 177.02 2k9h h GLU 84 N 1.35 0.75 -0.65 3.99 4.11 -1.89 -2.36 114.58 119.88 2k9h h GLU 84 Ca -0.50 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 58.83 2k9h h GLU 84 Cb 1.24 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2k9h h GLU 84 CO 0.58 0.55 0.29 0.77 0.07 0.00 0.00 179.01 181.27 2k9h h SER 85 N 0.76 0.88 -0.21 3.06 0.02 -1.93 0.14 113.55 116.26 2k9h h SER 85 Ca 0.20 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2k9h h SER 85 Cb 0.02 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2k9h h SER 85 CO -0.03 0.78 -0.44 0.00 -1.14 0.00 0.00 176.83 176.00 2k9h h ALA 86 N 1.13 0.34 -0.34 3.77 0.00 -1.79 -2.59 119.26 119.78 2k9h h ALA 86 Ca 0.22 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2k9h h ALA 86 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k9h h ALA 86 CO -0.02 0.47 -0.31 -0.07 0.00 0.00 0.00 179.25 179.32 2k9h h LEU 87 N 0.37 0.75 -0.75 0.00 3.38 -1.34 -2.24 115.31 115.48 2k9h h LEU 87 Ca 0.01 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2k9h h LEU 87 Cb 1.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2k9h h LEU 87 CO 0.10 1.00 0.33 1.56 0.09 0.00 0.00 178.44 181.51 2k9h h GLN 88 N 0.61 1.10 -0.82 1.13 4.20 -0.75 -0.04 115.11 120.55 2k9h h GLN 88 Ca 0.07 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2k9h h GLN 88 Cb 0.82 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 2k9h h GLN 88 CO 0.07 0.88 0.44 0.00 -0.67 0.00 0.00 178.83 179.55 2k9h h ALA 89 N 1.16 1.24 0.61 3.87 0.00 -1.30 -0.97 119.26 123.86 2k9h h ALA 89 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2k9h h ALA 89 Cb 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2k9h h ALA 89 CO -0.03 0.61 -0.29 1.25 0.00 0.00 0.00 179.25 180.80 2k9h h HIS 90 N 1.15 -0.76 0.00 0.00 -0.00 -0.88 -3.24 115.15 111.43 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 0.04 0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2k9h h HIS 90 CO 0.01 -0.42 0.00 1.88 -0.00 0.00 0.00 177.93 179.40 2k9h h TYR 91 N -1.01 0.00 0.00 5.26 0.05 -0.92 -1.72 116.97 118.63 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 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 2k9h h TYR 91 CO -0.00 0.00 0.00 0.77 -1.05 0.00 0.00 178.16 177.88 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.19 -3.17 113.55 113.09 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 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 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 -3.05 0.00 -5.09 3.27 -5.35 -0.71 -5.05 119.36 103.38 2k9h n ILE 93 Ca -0.01 -0.42 -0.32 0.00 -0.27 0.00 0.00 62.75 61.72 2k9h n ILE 93 Cb 0.18 1.13 -0.16 0.00 -1.74 0.00 0.00 39.64 39.05 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 3.37 -0.22 0.15 0.00 4.76 -1.26 -4.74 118.16 120.21 2k9h n LYS 95 Ca -0.18 -0.32 0.12 0.00 -2.87 0.00 0.00 58.31 55.05 2k9h n LYS 95 Cb 0.53 -0.73 0.54 0.00 -1.84 0.00 0.00 35.03 33.53 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 -0.03 0.63 0.15 -0.35 4.77 -1.26 -3.59 117.00 117.31 2k9h n LEU 96 Ca 0.00 0.71 0.05 0.00 -0.03 0.00 0.00 56.01 56.74 2k9h n LEU 96 Cb 0.17 -0.70 0.26 0.00 -2.33 0.00 0.00 43.42 40.82 2k9h n LEU 96 CO 0.00 -0.75 0.77 0.35 -1.33 0.00 0.00 177.39 176.43 2k9h n THR 97 N -2.25 0.52 -2.07 -5.08 -2.24 -1.26 -2.32 114.28 99.57 2k9h n THR 97 Ca 0.00 0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 62.45 2k9h n THR 97 Cb 0.14 -1.73 -0.04 0.00 -2.10 0.00 0.00 70.33 66.61 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 -1.27 0.64 0.00 3.38 0.00 -1.24 -4.78 105.19 101.93 2k9h n GLY 98 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k9h n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86