#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 -0.35 0.15 -5.12 0.00 -1.26 -5.05 107.32 95.70 2k9h s GLY 44 Ca 0.00 0.74 0.16 0.00 0.00 0.00 0.00 44.72 45.63 2k9h s GLY 44 CO 0.00 0.19 1.50 -1.14 0.00 0.00 0.00 173.10 173.66 2k9h n SER 45 N -0.38 0.34 -0.50 1.64 3.41 -1.26 -2.88 113.62 113.99 2k9h n SER 45 Ca -0.06 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 2k9h n SER 45 Cb 0.61 -0.67 0.20 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.91 1.53 -4.83 4.33 1.56 -1.26 -5.02 117.12 111.52 2k9h n MET 46 Ca 0.01 -3.18 -0.25 0.00 -0.27 0.00 0.00 57.70 54.01 2k9h n MET 46 Cb 0.13 -1.60 -0.16 0.00 2.15 0.00 0.00 33.22 33.74 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 -3.18 1.39 0.71 1.12 1.01 -1.14 -4.00 120.40 116.32 2k9h s VAL 47 Ca 0.37 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 2k9h s VAL 47 Cb 0.35 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2k9h s VAL 47 CO -0.05 0.40 1.24 0.00 0.00 0.00 0.00 175.10 176.69 2k9h n ASP 49 N -2.46 0.28 0.03 0.00 8.00 -1.26 -3.37 116.55 117.77 2k9h n ASP 49 Ca 0.14 0.04 -0.01 0.00 0.71 0.00 0.00 54.79 55.68 2k9h n ASP 49 Cb 0.49 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.44 1.14 1.19 2.53 0.31 -1.26 -4.80 118.33 116.00 2k9h n VAL 50 Ca 0.07 0.34 0.13 0.00 -0.01 0.00 0.00 64.34 64.87 2k9h n VAL 50 Cb 0.33 -1.64 0.51 0.00 -0.91 0.00 0.00 33.84 32.13 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 -1.21 -1.77 -4.26 0.00 -0.00 -1.22 -4.68 115.22 102.09 2k9h n HIS 52 Ca 0.10 0.55 -0.23 0.00 0.46 0.00 0.00 57.72 58.60 2k9h n HIS 52 Cb 0.31 -2.83 -0.07 0.00 -0.12 0.00 0.00 29.99 27.29 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 -2.99 2.77 0.89 1.57 5.65 -1.26 -4.74 115.29 117.18 2k9h s HIS 53 Ca 0.49 -0.21 -0.12 0.00 0.25 0.00 0.00 55.06 55.47 2k9h s HIS 53 Cb -0.26 -1.24 0.13 0.00 -1.18 0.00 0.00 32.58 30.02 2k9h s HIS 53 CO 0.61 0.60 1.14 -1.83 -0.65 0.00 0.00 174.74 174.60 2k9h s GLU 54 N -3.71 1.29 0.11 2.88 -1.05 -1.26 -1.26 118.70 115.69 2k9h s GLU 54 Ca 0.32 0.29 0.03 0.00 -0.15 0.00 0.00 54.97 55.47 2k9h s GLU 54 Cb -0.07 -1.86 -0.04 0.00 -0.44 0.00 0.00 34.13 31.73 2k9h s GLU 54 CO 0.21 -2.10 -0.09 0.00 0.95 0.00 0.00 175.26 174.23 2k9h h GLU 56 N 3.22 0.00 -4.15 0.00 4.57 -1.92 -3.44 114.58 112.87 2k9h h GLU 56 Ca -0.37 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.68 2k9h h GLU 56 Cb 1.18 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.61 2k9h h GLU 56 CO 0.58 0.00 -0.67 0.95 -1.18 0.00 0.00 179.01 178.69 2k9h s THR 57 N -4.86 0.19 -0.75 0.32 -4.23 -1.26 -5.04 115.64 100.01 2k9h s THR 57 Ca -0.05 -1.54 0.23 0.00 -1.18 0.00 0.00 61.69 59.15 2k9h s THR 57 Cb 0.16 -1.17 0.22 0.00 1.34 0.00 0.00 72.50 73.05 2k9h s THR 57 CO 0.61 -0.85 1.70 0.00 -0.54 0.00 0.00 174.62 175.54 2k9h n ALA 58 N 0.51 1.91 -0.05 3.99 0.00 -1.26 -2.93 120.51 122.68 2k9h n ALA 58 Ca -0.17 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 2k9h n ALA 58 Cb 0.59 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 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 0.14 0.00 0.00 3.64 -1.98 -3.36 116.57 115.01 2k9h h LYS 59 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2k9h h LYS 59 Cb 0.44 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2k9h h LYS 59 CO 0.00 1.11 0.00 0.39 -2.27 0.00 0.00 179.45 178.68 2k9h n GLU 60 N -3.97 0.18 -0.02 1.90 -0.58 -1.23 -2.89 120.64 114.02 2k9h n GLU 60 Ca -0.31 0.45 0.14 0.00 -0.42 0.00 0.00 57.16 57.01 2k9h n GLU 60 Cb 0.86 -1.87 0.57 0.00 -0.57 0.00 0.00 31.44 30.43 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 0.22 -0.37 -4.62 5.85 -1.67 -1.08 115.31 113.64 2k9h h LEU 61 Ca 0.00 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2k9h h LEU 61 Cb 0.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2k9h h LEU 61 CO 0.00 0.13 -0.33 -0.08 -0.34 0.00 0.00 178.44 177.82 2k9h h GLU 62 N 0.24 0.87 -0.43 1.25 4.81 -1.77 -2.47 114.58 117.07 2k9h h GLU 62 Ca 0.24 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 2k9h h GLU 62 Cb 0.64 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2k9h h GLU 62 CO -0.05 1.09 0.09 0.77 -0.73 0.00 0.00 179.01 180.18 2k9h h SER 63 N 0.67 0.61 0.82 1.04 0.02 -1.49 -2.24 113.55 112.98 2k9h h SER 63 Ca 0.06 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2k9h h SER 63 Cb 0.91 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 2k9h h SER 63 CO 0.08 0.62 -0.48 -0.74 -1.14 0.00 0.00 176.83 175.18 2k9h h HIS 64 N 0.63 -1.26 -0.84 3.45 6.17 -1.05 -2.15 115.15 120.10 2k9h h HIS 64 Ca 0.14 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.24 2k9h h HIS 64 Cb 0.27 0.44 -0.05 0.00 2.52 0.00 0.00 27.41 30.59 2k9h h HIS 64 CO 0.01 -0.72 0.55 0.07 0.71 0.00 0.00 177.93 178.55 2k9h h ARG 65 N -1.20 1.02 0.00 5.26 0.11 -1.39 -0.04 114.38 118.13 2k9h h ARG 65 Ca -0.11 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.89 2k9h h ARG 65 Cb 0.95 -0.23 -0.00 0.00 1.11 0.00 0.00 29.97 31.80 2k9h h ARG 65 CO 0.13 0.68 -0.10 1.96 0.10 0.00 0.00 179.97 182.74 2k9h h GLN 66 N 1.05 0.00 0.07 0.08 4.20 -1.33 -2.10 115.11 117.08 2k9h h GLN 66 Ca 0.33 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.69 2k9h h GLN 66 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2k9h h GLN 66 CO -0.10 0.10 -1.95 0.43 -0.67 0.00 0.00 178.83 176.65 2k9h n SER 67 N -3.56 2.04 -0.17 1.46 7.64 -0.62 -4.33 113.62 116.08 2k9h n SER 67 Ca -0.02 0.21 -0.03 0.00 1.01 0.00 0.00 58.87 60.04 2k9h n SER 67 Cb 0.23 -0.82 0.06 0.00 -1.01 0.00 0.00 64.21 62.67 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 2.10 -1.58 -0.52 117.51 117.70 2k9h h ILE 69 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.18 2k9h h ILE 69 Cb 0.21 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 2k9h h ILE 69 CO -0.21 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.45 2k9h n ASN 70 N -2.94 2.56 -2.27 2.19 3.02 -0.74 -5.02 115.26 112.06 2k9h n ASN 70 Ca -0.03 -1.81 -0.13 0.00 -0.03 0.00 0.00 54.58 52.58 2k9h n ASN 70 Cb 0.14 -0.15 0.05 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.55 0.09 3.07 7.41 0.00 -0.20 -4.85 105.19 111.26 2k9h n GLY 71 Ca 0.10 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.68 0.56 0.12 1.61 0.74 -0.43 -0.62 119.66 115.96 2k9h s GLN 72 Ca 0.31 -0.90 -0.25 0.00 0.05 0.00 0.00 55.36 54.58 2k9h s GLN 72 Cb -0.14 -0.16 -0.07 0.00 1.10 0.00 0.00 33.01 33.74 2k9h s GLN 72 CO 0.42 0.00 0.75 0.00 -0.55 0.00 0.00 175.29 175.91 2k9h h PRO 74 N 4.78 0.00 0.00 0.00 0.13 -1.87 -3.27 132.00 131.77 2k9h h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k9h h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k9h h PRO 74 CO 0.67 0.00 -0.18 0.66 -0.23 0.00 0.00 178.00 178.93 2k9h n TYR 75 N -2.34 0.00 1.36 1.56 4.01 -1.26 -4.85 117.16 115.64 2k9h n TYR 75 Ca -0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 2k9h n TYR 75 Cb 0.12 0.12 0.67 0.00 -0.31 0.00 0.00 39.34 39.94 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 -1.19 -1.61 -1.81 0.00 2.81 -1.23 -4.99 117.12 109.10 2k9h n MET 77 Ca 0.13 0.90 -0.39 0.00 -1.81 0.00 0.00 57.70 56.54 2k9h n MET 77 Cb 0.27 -5.24 0.03 0.00 -0.71 0.00 0.00 33.22 27.56 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 -2.05 2.12 0.06 2.03 2.01 -1.26 -4.66 115.64 113.89 2k9h s THR 78 Ca 0.00 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.16 2k9h s THR 78 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2k9h s THR 78 CO 0.00 0.00 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.19 2k9h s ILE 79 N -1.27 3.27 0.30 1.82 1.01 -1.26 -1.39 121.20 123.67 2k9h s ILE 79 Ca 0.67 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 60.23 2k9h s ILE 79 Cb -0.41 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2k9h s ILE 79 CO 0.50 0.24 0.19 0.35 0.00 0.00 0.00 174.94 176.22 2k9h n THR 80 N 1.13 0.00 1.29 2.92 -2.24 0.21 -4.98 114.28 112.60 2k9h n THR 80 Ca -0.15 -2.00 0.08 0.00 -2.27 0.00 0.00 64.05 59.71 2k9h n THR 80 Cb 0.52 0.89 0.47 0.00 -2.10 0.00 0.00 70.33 70.11 2k9h n THR 80 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9h n GLU 81 N -0.62 0.65 -1.26 -0.78 1.02 -1.26 -4.71 120.64 113.68 2k9h n GLU 81 Ca 0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 2k9h n GLU 81 Cb 0.50 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 2k9h n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k9h n ALA 82 N -0.88 -0.13 -2.87 0.62 0.00 -1.26 -4.94 120.51 111.05 2k9h n ALA 82 Ca 0.12 0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.45 2k9h n ALA 82 Cb 0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.95 4.86 0.21 0.00 -4.23 -1.26 -4.77 115.64 108.50 2k9h s THR 83 Ca 0.00 -0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 59.46 2k9h s THR 83 Cb 0.00 -3.52 0.14 0.00 1.34 0.00 0.00 72.50 70.46 2k9h s THR 83 CO 0.00 -0.14 1.83 -0.08 -0.54 0.00 0.00 174.62 175.69 2k9h h GLU 84 N 2.12 0.75 -0.83 3.99 4.81 -1.93 -0.22 114.58 123.28 2k9h h GLU 84 Ca -0.48 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.73 2k9h h GLU 84 Cb 1.20 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 2k9h h GLU 84 CO 0.65 0.50 0.54 0.77 -0.73 0.00 0.00 179.01 180.74 2k9h h SER 85 N 0.78 0.91 0.56 1.04 0.02 -1.95 0.09 113.55 114.99 2k9h h SER 85 Ca 0.29 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.94 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 -0.14 0.64 -1.30 0.00 -1.14 0.00 0.00 176.83 174.89 2k9h h ALA 86 N 1.51 0.05 -0.05 3.77 0.00 -1.86 -3.21 119.26 119.47 2k9h h ALA 86 Ca 0.32 -0.89 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 2k9h h ALA 86 Cb -0.03 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k9h h ALA 86 CO -0.08 0.93 -0.64 -0.07 0.00 0.00 0.00 179.25 179.38 2k9h h LEU 87 N 0.09 0.65 -1.12 0.00 3.38 -0.80 -3.05 115.31 114.46 2k9h h LEU 87 Ca -0.16 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 2k9h h LEU 87 Cb 2.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 2k9h h LEU 87 CO 0.22 1.26 0.41 1.56 0.09 0.00 0.00 178.44 181.98 2k9h h GLN 88 N 0.10 1.03 -0.63 1.13 4.20 -1.14 -0.86 115.11 118.94 2k9h h GLN 88 Ca -0.07 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2k9h h GLN 88 Cb 1.32 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2k9h h GLN 88 CO 0.13 0.75 0.39 0.00 -0.67 0.00 0.00 178.83 179.42 2k9h h ALA 89 N 1.42 1.50 0.17 3.87 0.00 -1.59 -1.20 119.26 123.42 2k9h h ALA 89 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2k9h h ALA 89 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2k9h h ALA 89 CO -0.04 0.44 -0.08 1.25 0.00 0.00 0.00 179.25 180.82 2k9h h HIS 90 N 0.86 -0.21 0.00 0.00 -0.00 -1.25 -3.31 115.15 111.24 2k9h h HIS 90 Ca 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2k9h h HIS 90 Cb -0.05 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2k9h h HIS 90 CO 0.00 0.22 0.00 1.88 -0.00 0.00 0.00 177.93 180.03 2k9h h TYR 91 N -0.86 0.00 0.00 5.26 0.05 -1.10 -1.50 116.97 118.83 2k9h h TYR 91 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2k9h h TYR 91 Cb 0.52 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.26 2k9h h TYR 91 CO 0.08 0.00 -0.04 1.03 -1.05 0.00 0.00 178.16 178.18 2k9h h SER 92 N 0.00 0.00 -0.00 3.88 0.87 -1.30 -3.12 113.55 113.88 2k9h h SER 92 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k9h h SER 92 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2k9h h SER 92 CO 0.00 0.04 -0.02 2.30 -0.53 0.00 0.00 176.83 178.62 2k9h n ILE 93 N -3.70 0.00 -4.66 2.23 -5.35 -0.61 -5.04 119.36 102.23 2k9h n ILE 93 Ca -0.03 -0.49 -0.33 0.00 -0.27 0.00 0.00 62.75 61.63 2k9h n ILE 93 Cb 0.13 1.02 -0.12 0.00 -1.74 0.00 0.00 39.64 38.93 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 2.78 -0.24 0.05 0.00 4.76 -1.26 -4.78 118.16 119.48 2k9h n LYS 95 Ca -0.18 -0.23 0.08 0.00 -2.87 0.00 0.00 58.31 55.12 2k9h n LYS 95 Cb 0.53 -0.68 0.36 0.00 -1.84 0.00 0.00 35.03 33.40 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 0.25 0.03 -0.35 4.77 -1.26 -4.09 117.00 116.34 2k9h n LEU 96 Ca 0.00 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.56 2k9h n LEU 96 Cb 0.18 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2k9h n LEU 96 CO 0.00 -0.39 0.56 0.35 -1.33 0.00 0.00 177.39 176.57 2k9h n THR 97 N -1.78 0.85 -2.33 -5.08 -2.24 -1.26 -1.83 114.28 100.61 2k9h n THR 97 Ca 0.03 0.55 -0.04 0.00 -2.27 0.00 0.00 64.05 62.31 2k9h n THR 97 Cb 0.18 -1.55 0.02 0.00 -2.10 0.00 0.00 70.33 66.87 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 -1.24 1.18 0.24 3.38 0.00 -1.26 -4.73 105.19 102.76 2k9h n GLY 98 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2k9h n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86