#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 3.44 0.31 -5.12 0.00 -1.26 -5.02 105.19 97.53 2k9h n GLY 44 Ca 0.00 -0.48 0.17 0.00 0.00 0.00 0.00 46.02 45.71 2k9h n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k9h h SER 45 N 0.97 0.00 0.00 1.61 4.64 -2.04 -2.83 113.55 115.90 2k9h h SER 45 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2k9h h SER 45 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 2k9h h SER 45 CO 0.00 0.01 -0.58 0.80 -0.87 0.00 0.00 176.83 176.19 2k9h n MET 46 N -3.64 1.09 -4.91 4.77 1.56 -1.26 -5.01 117.12 109.71 2k9h n MET 46 Ca -0.03 -2.80 -0.26 0.00 -0.27 0.00 0.00 57.70 54.34 2k9h n MET 46 Cb 0.09 -1.15 -0.16 0.00 2.15 0.00 0.00 33.22 34.15 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 -2.24 1.50 0.66 1.12 1.01 -1.07 -3.91 120.40 117.47 2k9h s VAL 47 Ca 0.35 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 2k9h s VAL 47 Cb 0.35 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2k9h s VAL 47 CO -0.08 0.43 1.17 0.00 0.00 0.00 0.00 175.10 176.62 2k9h n ASP 49 N -1.70 0.72 0.01 0.00 2.03 -1.26 -3.40 116.55 112.94 2k9h n ASP 49 Ca 0.15 0.50 -0.01 0.00 0.52 0.00 0.00 54.79 55.95 2k9h n ASP 49 Cb 0.48 -0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -2.16 0.58 1.06 5.18 0.31 -1.26 -4.79 118.33 117.26 2k9h n VAL 50 Ca 0.05 0.22 0.14 0.00 -0.01 0.00 0.00 64.34 64.75 2k9h n VAL 50 Cb 0.42 -1.42 0.64 0.00 -0.91 0.00 0.00 33.84 32.56 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 -1.46 -1.93 -4.21 0.00 -0.00 -1.22 -4.74 115.22 101.67 2k9h n HIS 52 Ca 0.08 0.70 -0.22 0.00 0.46 0.00 0.00 57.72 58.73 2k9h n HIS 52 Cb 0.32 -3.27 -0.06 0.00 -0.12 0.00 0.00 29.99 26.86 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 -3.14 2.88 0.69 1.57 5.65 -1.26 -4.72 115.29 116.95 2k9h s HIS 53 Ca 0.58 -0.18 -0.11 0.00 0.25 0.00 0.00 55.06 55.61 2k9h s HIS 53 Cb -0.31 -1.30 0.00 0.00 -1.18 0.00 0.00 32.58 29.79 2k9h s HIS 53 CO 0.72 0.56 1.06 -2.00 -0.65 0.00 0.00 174.74 174.43 2k9h s GLU 54 N -3.76 2.99 0.26 2.88 2.12 -1.26 -1.19 118.70 120.74 2k9h s GLU 54 Ca 0.32 0.91 0.04 0.00 0.36 0.00 0.00 54.97 56.61 2k9h s GLU 54 Cb -0.07 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.27 2k9h s GLU 54 CO 0.22 -1.05 -0.01 0.00 -0.54 0.00 0.00 175.26 173.88 2k9h h GLU 56 N 2.37 0.56 -4.15 0.00 4.57 -1.93 -3.45 114.58 112.55 2k9h h GLU 56 Ca -0.39 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 57.61 2k9h h GLU 56 Cb 1.23 -0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 29.55 2k9h h GLU 56 CO 0.66 0.37 -0.48 0.95 -1.18 0.00 0.00 179.01 179.33 2k9h s THR 57 N -6.03 0.08 -0.48 0.32 -4.23 -1.26 -5.04 115.64 98.99 2k9h s THR 57 Ca -0.12 -1.65 0.22 0.00 -1.18 0.00 0.00 61.69 58.96 2k9h s THR 57 Cb 0.19 -1.94 0.23 0.00 1.34 0.00 0.00 72.50 72.32 2k9h s THR 57 CO 0.77 -0.38 1.68 0.00 -0.54 0.00 0.00 174.62 176.14 2k9h n ALA 58 N -0.15 1.57 -0.05 3.99 0.00 -1.26 -2.24 120.51 122.36 2k9h n ALA 58 Ca -0.06 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 2k9h n ALA 58 Cb 0.63 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.18 0.66 0.23 0.00 4.81 -1.26 -4.08 118.16 116.34 2k9h n LYS 59 Ca 0.02 0.42 0.16 0.00 -0.87 0.00 0.00 58.31 58.04 2k9h n LYS 59 Cb 0.20 -1.73 0.73 0.00 0.02 0.00 0.00 35.03 34.25 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 -0.49 0.00 -0.58 1.64 4.39 -1.93 -2.87 114.58 114.74 2k9h h GLU 60 Ca -0.39 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.38 2k9h h GLU 60 Cb 1.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.28 2k9h h GLU 60 CO -0.07 0.00 0.39 1.25 -1.16 0.00 0.00 179.01 179.42 2k9h h LEU 61 N 0.00 0.43 -0.29 1.33 5.85 -1.59 -1.16 115.31 119.88 2k9h h LEU 61 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2k9h h LEU 61 Cb 0.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2k9h h LEU 61 CO 0.00 0.27 0.01 -0.08 -0.34 0.00 0.00 178.44 178.31 2k9h h GLU 62 N 0.49 0.51 -0.11 1.25 4.57 -1.73 -2.01 114.58 117.54 2k9h h GLU 62 Ca 0.26 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2k9h h GLU 62 Cb 0.38 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2k9h h GLU 62 CO -0.07 0.64 -0.03 0.77 -1.18 0.00 0.00 179.01 179.14 2k9h h SER 63 N 0.30 0.14 0.57 1.04 0.02 -1.54 -2.35 113.55 111.74 2k9h h SER 63 Ca 0.08 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2k9h h SER 63 Cb 0.41 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.92 2k9h h SER 63 CO 0.01 0.20 -0.28 -0.74 -1.14 0.00 0.00 176.83 174.89 2k9h h HIS 64 N 0.15 -0.71 -0.99 3.45 -0.00 -0.98 -3.09 115.15 112.97 2k9h h HIS 64 Ca 0.04 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 2k9h h HIS 64 Cb 0.17 0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.76 2k9h h HIS 64 CO 0.00 -0.44 0.66 0.07 -0.00 0.00 0.00 177.93 178.21 2k9h h ARG 65 N -1.15 1.28 0.00 5.26 0.11 -1.30 -0.94 114.38 117.65 2k9h h ARG 65 Ca -0.08 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2k9h h ARG 65 Cb 0.59 -0.29 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2k9h h ARG 65 CO 0.13 0.85 0.00 -0.56 0.10 0.00 0.00 179.97 180.49 2k9h h GLN 66 N 1.32 0.00 0.06 0.08 3.07 -1.55 -2.66 115.11 115.43 2k9h h GLN 66 Ca 0.37 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.88 2k9h h GLN 66 Cb -0.11 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.43 2k9h h GLN 66 CO -0.09 0.00 -1.25 0.77 0.09 0.00 0.00 178.83 178.35 2k9h h SER 67 N 0.00 0.20 -0.71 0.06 0.02 -1.22 -3.39 113.55 108.51 2k9h h SER 67 Ca 0.00 -0.75 0.11 0.00 -0.84 0.00 0.00 61.79 60.31 2k9h h SER 67 Cb 0.40 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 2k9h h SER 67 CO 0.00 1.52 0.30 0.00 -1.14 0.00 0.00 176.83 177.52 2k9h h ILE 69 N 0.49 0.00 -0.19 0.00 6.09 -1.67 -0.82 117.51 121.41 2k9h h ILE 69 Ca 0.37 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.86 2k9h h ILE 69 Cb 0.48 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.68 2k9h h ILE 69 CO -0.33 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.34 2k9h n ASN 70 N -2.98 2.41 0.00 2.19 3.02 -0.54 -5.00 115.26 114.35 2k9h n ASN 70 Ca -0.03 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 2k9h n ASN 70 Cb 0.12 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.30 0.44 3.89 7.41 0.00 -0.31 -4.84 105.19 112.08 2k9h n GLY 71 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.41 3.69 -0.15 1.61 0.74 -0.32 -0.85 119.66 123.96 2k9h s GLN 72 Ca 0.00 0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.51 2k9h s GLN 72 Cb 0.00 -2.60 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 2k9h s GLN 72 CO 0.00 0.18 -0.01 0.00 -0.55 0.00 0.00 175.29 174.91 2k9h s PRO 74 N 0.18 2.10 0.00 0.00 0.04 -1.26 -2.61 135.00 133.44 2k9h s PRO 74 Ca -0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2k9h s PRO 74 Cb -0.13 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2k9h s PRO 74 CO 0.02 -1.83 0.00 0.66 0.04 0.00 0.00 177.00 175.89 2k9h n TYR 75 N -2.99 0.00 0.70 0.56 4.01 -1.26 -4.02 117.16 114.15 2k9h n TYR 75 Ca 0.12 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.99 2k9h n TYR 75 Cb 0.51 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 39.85 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 -2.00 -1.61 -2.07 0.00 2.81 -1.07 -5.01 117.12 108.17 2k9h n MET 77 Ca 0.05 0.99 -0.37 0.00 -1.81 0.00 0.00 57.70 56.56 2k9h n MET 77 Cb 0.41 -5.47 0.01 0.00 -0.71 0.00 0.00 33.22 27.46 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 -2.72 2.70 -0.01 2.03 2.01 -1.26 -4.77 115.64 113.63 2k9h s THR 78 Ca 0.00 0.51 0.03 0.00 0.31 0.00 0.00 61.69 62.54 2k9h s THR 78 Cb 0.00 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 2k9h s THR 78 CO 0.00 -0.03 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.17 2k9h s ILE 79 N -1.48 0.85 0.00 1.82 1.01 -1.26 -0.73 121.20 121.40 2k9h s ILE 79 Ca 0.69 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2k9h s ILE 79 Cb -0.32 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.43 2k9h s ILE 79 CO 0.38 0.24 0.00 1.07 0.00 0.00 0.00 174.94 176.64 2k9h n THR 80 N 2.88 0.00 0.00 2.92 5.66 -0.03 -5.00 114.28 120.71 2k9h n THR 80 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2k9h n THR 80 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 2k9h n THR 80 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k9h n GLU 81 N 0.00 0.00 -0.95 1.09 -0.58 -1.26 -4.54 120.64 114.40 2k9h n GLU 81 Ca 0.00 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 2k9h n GLU 81 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2k9h n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k9h n ALA 82 N -1.24 0.00 -2.40 0.62 0.00 -1.26 -4.93 120.51 111.29 2k9h n ALA 82 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2k9h n ALA 82 Cb 0.13 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.37 4.92 0.47 0.00 -4.23 -1.26 -4.75 115.64 109.41 2k9h s THR 83 Ca 0.00 0.47 0.15 0.00 -1.18 0.00 0.00 61.69 61.14 2k9h s THR 83 Cb 0.00 -3.63 0.31 0.00 1.34 0.00 0.00 72.50 70.52 2k9h s THR 83 CO 0.00 -0.12 2.04 1.05 -0.54 0.00 0.00 174.62 177.06 2k9h h GLU 84 N 2.41 0.25 -0.24 3.99 4.11 -1.92 -1.23 114.58 121.94 2k9h h GLU 84 Ca -0.47 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 58.88 2k9h h GLU 84 Cb 1.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2k9h h GLU 84 CO 0.68 0.17 -0.11 0.77 0.07 0.00 0.00 179.01 180.59 2k9h h SER 85 N 0.26 0.52 -0.31 3.06 0.02 -1.94 -1.18 113.55 113.97 2k9h h SER 85 Ca 0.17 -0.40 -0.14 0.00 -0.84 0.00 0.00 61.79 60.58 2k9h h SER 85 Cb 0.36 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2k9h h SER 85 CO -0.03 0.81 -0.34 0.00 -1.14 0.00 0.00 176.83 176.13 2k9h h ALA 86 N 0.73 0.70 -0.07 3.77 0.00 -1.84 -2.28 119.26 120.28 2k9h h ALA 86 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2k9h h ALA 86 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k9h h ALA 86 CO 0.03 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.80 2k9h h LEU 87 N 0.71 0.19 -1.31 0.00 -0.00 -1.27 -2.78 115.31 110.85 2k9h h LEU 87 Ca 0.07 -0.51 0.01 0.00 -0.00 0.00 0.00 57.88 57.45 2k9h h LEU 87 Cb 0.90 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.47 2k9h h LEU 87 CO 0.08 0.66 0.47 1.56 -0.00 0.00 0.00 178.44 181.21 2k9h h GLN 88 N -0.27 0.93 -0.51 1.13 4.20 -1.26 -1.21 115.11 118.11 2k9h h GLN 88 Ca 0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2k9h h GLN 88 Cb 0.61 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2k9h h GLN 88 CO 0.02 0.61 0.27 0.00 -0.67 0.00 0.00 178.83 179.06 2k9h h ALA 89 N 1.56 1.52 -0.02 3.87 0.00 -1.37 -1.09 119.26 123.73 2k9h h ALA 89 Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2k9h h ALA 89 Cb -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2k9h h ALA 89 CO -0.06 0.40 -0.06 1.25 0.00 0.00 0.00 179.25 180.78 2k9h h HIS 90 N 0.70 0.10 0.00 0.00 -0.00 -1.03 -3.26 115.15 111.66 2k9h h HIS 90 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2k9h h HIS 90 Cb 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2k9h h HIS 90 CO 0.00 0.69 0.00 1.88 -0.00 0.00 0.00 177.93 180.51 2k9h h TYR 91 N -0.53 0.00 0.00 5.26 0.05 -1.05 -0.94 116.97 119.77 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 0.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.44 2k9h h TYR 91 CO 0.14 0.00 -0.02 0.77 -1.05 0.00 0.00 178.16 178.01 2k9h h SER 92 N 0.00 0.00 0.00 3.88 0.02 -1.24 -3.13 113.55 113.08 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 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 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 -3.21 0.00 -4.51 3.27 -5.35 -0.52 -5.05 119.36 103.99 2k9h n ILE 93 Ca -0.02 -0.41 -0.33 0.00 -0.27 0.00 0.00 62.75 61.72 2k9h n ILE 93 Cb 0.16 1.09 -0.15 0.00 -1.74 0.00 0.00 39.64 38.99 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 4.09 1.51 0.00 0.00 4.81 -1.26 -4.65 118.16 122.66 2k9h n LYS 95 Ca -0.19 -1.21 0.11 0.00 -0.87 0.00 0.00 58.31 56.15 2k9h n LYS 95 Cb 0.52 -0.83 0.50 0.00 0.02 0.00 0.00 35.03 35.24 2k9h n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k9h n LEU 96 N -0.37 0.00 0.21 3.14 4.32 -1.26 -4.30 117.00 118.73 2k9h n LEU 96 Ca 0.02 0.44 0.05 0.00 -0.02 0.00 0.00 56.01 56.50 2k9h n LEU 96 Cb 0.41 -0.44 0.27 0.00 -1.62 0.00 0.00 43.42 42.05 2k9h n LEU 96 CO 0.00 -0.10 0.86 0.71 -1.22 0.00 0.00 177.39 177.64 2k9h h THR 97 N 0.00 0.00 -0.10 -5.08 1.35 -1.86 -1.45 112.91 105.77 2k9h h THR 97 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.67 2k9h h THR 97 Cb 0.34 0.22 -0.36 0.00 -1.73 0.00 0.00 68.15 66.62 2k9h h THR 97 CO 0.00 0.00 -0.97 0.61 -0.25 0.00 0.00 175.52 174.91 2k9h n GLY 98 N -1.29 1.17 0.00 5.82 0.00 -1.26 -4.57 105.19 105.07 2k9h n GLY 98 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2k9h n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86