#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 0.83 0.00 -5.12 0.00 -1.26 -5.00 105.19 94.63 2k9h n GLY 44 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.27 -2.35 1.61 3.41 -1.26 -4.83 113.62 110.47 2k9h n SER 45 Ca 0.00 -0.69 -0.19 0.00 -0.26 0.00 0.00 58.87 57.73 2k9h n SER 45 Cb 0.00 0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.19 2.99 -4.58 4.33 1.56 -1.26 -5.06 117.12 114.91 2k9h n MET 46 Ca 0.00 -4.05 -0.34 0.00 -0.27 0.00 0.00 57.70 53.04 2k9h n MET 46 Cb 0.08 -2.05 -0.12 0.00 2.15 0.00 0.00 33.22 33.28 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 -4.56 3.64 0.42 1.12 1.01 -1.26 -1.86 120.40 118.91 2k9h s VAL 47 Ca 0.44 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 2k9h s VAL 47 Cb 0.40 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 2k9h s VAL 47 CO -0.03 0.55 1.46 0.00 0.00 0.00 0.00 175.10 177.07 2k9h n ASP 49 N 0.08 0.33 0.00 0.00 8.00 -1.26 -2.83 116.55 120.87 2k9h n ASP 49 Ca 0.03 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.11 2k9h n ASP 49 Cb 0.41 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.86 0.00 0.78 2.53 0.31 -1.26 -4.79 118.33 114.03 2k9h n VAL 50 Ca 0.03 0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.56 2k9h n VAL 50 Cb 0.20 -1.02 0.41 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 -1.26 -1.76 -4.25 0.00 -0.00 -1.13 -4.66 115.22 102.16 2k9h n HIS 52 Ca 0.08 0.57 -0.29 0.00 -0.00 0.00 0.00 57.72 58.07 2k9h n HIS 52 Cb 0.12 -2.79 -0.10 0.00 -0.00 0.00 0.00 29.99 27.22 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 -3.01 2.68 0.32 4.41 5.65 -1.26 -4.84 115.29 119.25 2k9h s HIS 53 Ca 0.52 -0.19 -0.29 0.00 0.25 0.00 0.00 55.06 55.35 2k9h s HIS 53 Cb -0.28 -1.39 -0.10 0.00 -1.18 0.00 0.00 32.58 29.63 2k9h s HIS 53 CO 0.64 0.43 1.23 -2.00 -0.65 0.00 0.00 174.74 174.39 2k9h s GLU 54 N -2.30 4.40 0.52 2.88 2.12 -1.26 -1.55 118.70 123.51 2k9h s GLU 54 Ca 0.21 2.06 0.05 0.00 0.36 0.00 0.00 54.97 57.65 2k9h s GLU 54 Cb -0.11 -3.06 0.04 0.00 0.26 0.00 0.00 34.13 31.26 2k9h s GLU 54 CO 0.13 -0.09 0.72 0.00 -0.54 0.00 0.00 175.26 175.48 2k9h h GLU 56 N 0.24 0.77 -4.02 0.00 4.39 -1.93 -3.47 114.58 110.56 2k9h h GLU 56 Ca -0.39 -0.51 -0.12 0.00 0.34 0.00 0.00 59.36 58.68 2k9h h GLU 56 Cb 1.29 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.87 2k9h h GLU 56 CO 0.47 1.14 -0.41 0.95 -1.16 0.00 0.00 179.01 179.99 2k9h s THR 57 N -4.01 0.09 -0.56 1.13 -4.23 -1.26 -5.05 115.64 101.75 2k9h s THR 57 Ca -0.10 -1.50 0.23 0.00 -1.18 0.00 0.00 61.69 59.14 2k9h s THR 57 Cb 0.10 -1.83 0.23 0.00 1.34 0.00 0.00 72.50 72.34 2k9h s THR 57 CO 0.88 -0.39 1.68 0.00 -0.54 0.00 0.00 174.62 176.25 2k9h n ALA 58 N -0.16 1.68 -0.05 3.99 0.00 -1.26 -2.50 120.51 122.20 2k9h n ALA 58 Ca -0.08 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 2k9h n ALA 58 Cb 0.63 -1.37 -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 1.17 0.00 0.00 0.00 177.50 178.67 2k9h n LYS 59 N -2.14 0.66 0.29 0.00 4.81 -1.26 -4.13 118.16 116.38 2k9h n LYS 59 Ca 0.02 0.42 0.18 0.00 -0.87 0.00 0.00 58.31 58.06 2k9h n LYS 59 Cb 0.23 -1.72 0.82 0.00 0.02 0.00 0.00 35.03 34.37 2k9h n LYS 59 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2k9h h GLU 60 N -0.48 0.00 -0.92 1.64 4.39 -1.93 -3.11 114.58 114.17 2k9h h GLU 60 Ca -0.40 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.49 2k9h h GLU 60 Cb 1.67 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.24 2k9h h GLU 60 CO -0.07 0.02 0.59 1.25 -1.16 0.00 0.00 179.01 179.64 2k9h h LEU 61 N 0.00 0.57 -0.19 1.33 5.85 -1.64 0.19 115.31 121.41 2k9h h LEU 61 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2k9h h LEU 61 Cb 0.38 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2k9h h LEU 61 CO 0.00 0.24 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.20 2k9h h GLU 62 N 0.57 0.38 -0.37 1.25 4.57 -1.77 -2.38 114.58 116.83 2k9h h GLU 62 Ca 0.49 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 2k9h h GLU 62 Cb 0.97 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 2k9h h GLU 62 CO -0.23 0.65 0.02 0.77 -1.18 0.00 0.00 179.01 179.04 2k9h h SER 63 N 0.09 0.54 0.95 1.04 0.02 -1.50 -2.56 113.55 112.14 2k9h h SER 63 Ca 0.05 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2k9h h SER 63 Cb 0.52 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.92 2k9h h SER 63 CO 0.02 0.60 -0.46 -0.74 -1.14 0.00 0.00 176.83 175.12 2k9h h HIS 64 N 0.56 -1.18 -0.90 3.45 -0.00 -0.89 -2.20 115.15 113.99 2k9h h HIS 64 Ca 0.12 -0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.52 2k9h h HIS 64 Cb 0.33 0.39 -0.06 0.00 -0.00 0.00 0.00 27.41 28.07 2k9h h HIS 64 CO 0.01 -0.74 0.59 0.07 -0.00 0.00 0.00 177.93 177.86 2k9h h ARG 65 N -1.31 1.03 0.00 5.26 0.11 -1.41 -0.44 114.38 117.61 2k9h h ARG 65 Ca -0.13 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.89 2k9h h ARG 65 Cb 0.98 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2k9h h ARG 65 CO 0.21 0.68 0.00 1.96 0.10 0.00 0.00 179.97 182.92 2k9h h GLN 66 N 1.06 0.00 0.06 0.08 4.20 -1.45 -2.00 115.11 117.06 2k9h h GLN 66 Ca 0.37 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.83 2k9h h GLN 66 Cb 0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2k9h h GLN 66 CO -0.13 0.00 -1.36 0.77 -0.67 0.00 0.00 178.83 177.44 2k9h h SER 67 N 0.00 0.19 -0.58 1.46 0.02 -0.60 -3.39 113.55 110.66 2k9h h SER 67 Ca 0.00 -0.73 0.08 0.00 -0.84 0.00 0.00 61.79 60.30 2k9h h SER 67 Cb 0.49 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.91 2k9h h SER 67 CO 0.00 1.57 0.23 0.00 -1.14 0.00 0.00 176.83 177.48 2k9h h ILE 69 N 0.42 0.00 -0.21 0.00 6.09 -1.56 -0.56 117.51 121.69 2k9h h ILE 69 Ca 0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.77 2k9h h ILE 69 Cb 0.32 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.48 2k9h h ILE 69 CO -0.27 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.40 2k9h n ASN 70 N -2.96 2.53 -0.04 2.19 3.02 -0.67 -4.94 115.26 114.39 2k9h n ASN 70 Ca -0.03 -1.77 -0.01 0.00 -0.03 0.00 0.00 54.58 52.75 2k9h n ASN 70 Cb 0.15 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.61 0.44 3.81 7.41 0.00 -0.22 -4.82 105.19 112.42 2k9h n GLY 71 Ca 0.10 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.64 2.87 -0.15 1.61 0.74 -0.50 -0.88 119.66 122.70 2k9h s GLN 72 Ca 0.00 -1.08 -0.04 0.00 0.05 0.00 0.00 55.36 54.28 2k9h s GLN 72 Cb 0.00 -2.53 -0.03 0.00 1.10 0.00 0.00 33.01 31.55 2k9h s GLN 72 CO 0.00 0.40 -0.00 0.00 -0.55 0.00 0.00 175.29 175.14 2k9h n PRO 74 N 3.34 0.34 0.00 0.00 -0.02 -1.26 -2.17 135.00 135.23 2k9h n PRO 74 Ca -0.17 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2k9h n PRO 74 Cb 0.53 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2k9h n PRO 74 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2k9h n TYR 75 N -2.88 0.00 0.45 6.00 4.01 -1.26 -3.80 117.16 119.67 2k9h n TYR 75 Ca 0.13 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 2k9h n TYR 75 Cb 0.50 -0.15 -0.15 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.92 -1.93 -1.72 0.00 2.81 -0.92 -4.99 117.12 108.45 2k9h n MET 77 Ca -0.00 0.57 -0.41 0.00 -1.81 0.00 0.00 57.70 56.05 2k9h n MET 77 Cb 0.46 -5.00 0.01 0.00 -0.71 0.00 0.00 33.22 27.98 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 -1.99 2.62 -5.07 2.03 -1.04 -1.26 -4.65 114.28 104.92 2k9h n THR 78 Ca -0.02 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.20 2k9h n THR 78 Cb 0.51 -1.66 -0.16 0.00 -1.82 0.00 0.00 70.33 67.21 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 -1.19 1.79 0.00 12.58 1.01 -1.26 -1.28 121.20 132.84 2k9h s ILE 79 Ca 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2k9h s ILE 79 Cb -0.49 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2k9h s ILE 79 CO 0.58 0.47 0.00 1.07 0.00 0.00 0.00 174.94 177.06 2k9h n THR 80 N 2.43 0.00 -2.12 2.92 5.66 -0.06 -5.01 114.28 118.10 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 0.52 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.65 3.29 0.00 1.09 2.02 -1.26 -4.50 118.70 117.69 2k9h s GLU 81 Ca 0.00 1.79 0.12 0.00 0.02 0.00 0.00 54.97 56.91 2k9h s GLU 81 Cb 0.00 -2.10 0.75 0.00 0.10 0.00 0.00 34.13 32.88 2k9h s GLU 81 CO 0.00 -0.94 1.26 0.00 0.02 0.00 0.00 175.26 175.60 2k9h n ALA 82 N -1.18 2.27 -1.78 5.21 0.00 -1.26 -4.23 120.51 119.54 2k9h n ALA 82 Ca 0.11 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 2k9h n ALA 82 Cb 0.49 -1.20 -0.04 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 3.68 0.27 0.00 -4.23 -1.26 -4.82 115.64 107.28 2k9h s THR 83 Ca 0.19 1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 62.02 2k9h s THR 83 Cb 0.09 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.48 2k9h s THR 83 CO 0.14 0.05 1.85 1.05 -0.54 0.00 0.00 174.62 177.18 2k9h h GLU 84 N 2.66 1.01 -0.67 3.99 9.09 -1.88 -1.78 114.58 126.99 2k9h h GLU 84 Ca -0.48 -0.06 -0.04 0.00 0.05 0.00 0.00 59.36 58.82 2k9h h GLU 84 Cb 1.22 -0.23 -0.03 0.00 -1.65 0.00 0.00 28.75 28.06 2k9h h GLU 84 CO 0.63 0.67 0.25 0.77 0.05 0.00 0.00 179.01 181.38 2k9h h SER 85 N 1.04 0.95 -0.25 3.06 0.02 -1.93 0.34 113.55 116.78 2k9h h SER 85 Ca 0.46 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 61.05 2k9h h SER 85 Cb 0.35 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2k9h h SER 85 CO -0.23 0.88 -0.55 0.00 -1.14 0.00 0.00 176.83 175.79 2k9h h ALA 86 N 1.11 0.40 -0.24 3.77 0.00 -1.76 -2.72 119.26 119.81 2k9h h ALA 86 Ca 0.22 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2k9h h ALA 86 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k9h h ALA 86 CO -0.01 0.61 -0.00 -0.07 0.00 0.00 0.00 179.25 179.78 2k9h h LEU 87 N 0.56 0.42 -1.00 0.00 3.38 -1.22 -3.01 115.31 114.44 2k9h h LEU 87 Ca 0.00 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2k9h h LEU 87 Cb 1.16 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2k9h h LEU 87 CO 0.12 0.63 0.65 1.56 0.09 0.00 0.00 178.44 181.49 2k9h h GLN 88 N 0.20 1.18 -0.25 1.13 4.20 -0.98 -0.91 115.11 119.68 2k9h h GLN 88 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k9h h GLN 88 Cb 0.42 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2k9h h GLN 88 CO 0.01 0.78 0.16 0.00 -0.67 0.00 0.00 178.83 179.11 2k9h h ALA 89 N 1.43 1.81 0.02 3.87 0.00 -1.38 -0.65 119.26 124.36 2k9h h ALA 89 Ca 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2k9h h ALA 89 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k9h h ALA 89 CO -0.15 0.17 -0.01 1.25 0.00 0.00 0.00 179.25 180.51 2k9h h HIS 90 N 0.34 -0.02 0.00 0.00 -0.00 -1.16 -3.34 115.15 110.97 2k9h h HIS 90 Ca 0.09 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2k9h h HIS 90 Cb -0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 2k9h h HIS 90 CO 0.00 0.75 -0.01 1.88 -0.00 0.00 0.00 177.93 180.55 2k9h h TYR 91 N -0.91 0.00 0.00 5.26 0.05 -1.03 -1.28 116.97 119.06 2k9h h TYR 91 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2k9h h TYR 91 Cb 0.78 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.52 2k9h h TYR 91 CO 0.21 0.01 -0.02 0.77 -1.05 0.00 0.00 178.16 178.08 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.23 -3.12 113.55 113.10 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 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 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 -3.25 0.00 -5.20 3.27 -5.35 -0.56 -5.06 119.36 103.21 2k9h n ILE 93 Ca -0.02 -0.39 -0.32 0.00 -0.27 0.00 0.00 62.75 61.75 2k9h n ILE 93 Cb 0.14 1.19 -0.17 0.00 -1.74 0.00 0.00 39.64 39.06 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 3.48 0.60 0.28 0.00 4.76 -1.26 -4.68 118.16 121.34 2k9h n LYS 95 Ca -0.19 -0.63 0.19 0.00 -2.87 0.00 0.00 58.31 54.81 2k9h n LYS 95 Cb 0.53 -0.68 0.93 0.00 -1.84 0.00 0.00 35.03 33.97 2k9h n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2k9h h LEU 96 N 0.00 0.00 -1.17 -0.35 4.07 -1.88 -3.27 115.31 112.71 2k9h h LEU 96 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.11 2k9h h LEU 96 Cb 0.66 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 2k9h h LEU 96 CO 0.00 0.00 0.86 0.71 -1.08 0.00 0.00 178.44 178.93 2k9h h THR 97 N 0.00 0.08 -0.05 0.22 1.35 -1.87 -2.15 112.91 110.50 2k9h h THR 97 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.69 2k9h h THR 97 Cb 0.19 0.25 -0.29 0.00 -1.73 0.00 0.00 68.15 66.57 2k9h h THR 97 CO 0.00 0.00 -0.75 0.61 -0.25 0.00 0.00 175.52 175.13 2k9h n GLY 98 N -1.54 0.99 0.00 5.82 0.00 -1.23 -4.69 105.19 104.54 2k9h n GLY 98 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2k9h n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86