#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9d s LYS 43 N 0.00 4.26 0.08 2.12 1.02 -1.26 -4.36 119.74 121.60 2b9d s LYS 43 Ca 0.00 2.31 0.05 0.00 0.02 0.00 0.00 55.97 58.34 2b9d s LYS 43 Cb 0.00 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 2b9d s LYS 43 CO 0.00 -0.42 -0.13 1.14 -0.92 0.00 0.00 175.35 175.02 2b9d s GLN 44 N -0.41 0.83 0.33 1.68 -2.07 0.05 -4.83 119.66 115.24 2b9d s GLN 44 Ca 0.59 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 52.83 2b9d s GLN 44 Cb -0.42 -0.73 -0.10 0.00 -1.09 0.00 0.00 33.01 30.68 2b9d s GLN 44 CO 0.44 0.15 1.21 -2.14 -1.32 0.00 0.00 175.29 173.62 2b9d s PRO 45 N -2.08 4.37 -0.14 9.60 0.02 -1.26 -1.81 135.00 143.70 2b9d s PRO 45 Ca 0.00 2.00 -0.07 0.00 0.02 0.00 0.00 61.00 62.95 2b9d s PRO 45 Cb -0.08 -3.01 0.05 0.00 0.02 0.00 0.00 34.50 31.48 2b9d s PRO 45 CO 0.02 -0.10 0.33 -0.47 -0.33 0.00 0.00 177.00 176.45 2b9d s TYR 46 N -1.21 -0.47 -0.43 6.54 5.04 0.18 -4.97 117.35 122.03 2b9d s TYR 46 Ca 0.49 1.05 -0.23 0.00 -2.44 0.00 0.00 57.07 55.95 2b9d s TYR 46 Cb -0.35 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.13 2b9d s TYR 46 CO 0.46 -0.30 0.77 0.00 -1.34 0.00 0.00 175.55 175.15 2b9d s ALA 47 N 1.41 3.32 -0.06 3.97 0.00 -1.26 -1.06 121.76 128.08 2b9d s ALA 47 Ca -0.09 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 2b9d s ALA 47 Cb -0.10 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2b9d s ALA 47 CO -0.11 -1.82 0.72 0.08 0.00 0.00 0.00 175.76 174.63 2b9d s VAL 48 N 3.22 5.03 -0.09 0.00 1.01 0.13 -4.97 120.40 124.74 2b9d s VAL 48 Ca 0.30 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.77 2b9d s VAL 48 Cb -0.12 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2b9d s VAL 48 CO 0.21 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 2b9d s VAL 49 N 0.80 1.17 0.00 2.92 1.01 -1.26 -1.68 120.40 123.37 2b9d s VAL 49 Ca 0.38 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 2b9d s VAL 49 Cb -0.18 -1.11 0.05 0.00 0.00 0.00 0.00 36.38 35.14 2b9d s VAL 49 CO 0.19 0.38 0.50 0.00 0.00 0.00 0.00 175.10 176.17 2b9d s ALA 50 N 1.09 -1.28 0.19 5.51 0.00 -0.66 -4.98 121.76 121.64 2b9d s ALA 50 Ca -0.06 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2b9d s ALA 50 Cb -0.14 0.19 -0.08 0.00 0.00 0.00 0.00 23.12 23.09 2b9d s ALA 50 CO -0.02 -0.40 0.97 -1.54 0.00 0.00 0.00 175.76 174.78 2b9d s SER 51 N -1.59 7.54 0.33 0.00 1.04 -1.26 0.02 113.70 119.78 2b9d s SER 51 Ca -0.09 1.93 -0.28 0.00 0.48 0.00 0.00 55.95 57.99 2b9d s SER 51 Cb -0.02 -2.60 -0.12 0.00 0.10 0.00 0.00 66.02 63.38 2b9d s SER 51 CO 0.03 0.03 1.30 0.00 0.98 0.00 0.00 173.24 175.58 2b9d h ALA 53 N 2.74 2.09 0.00 0.00 0.00 -1.32 -2.33 119.26 120.43 2b9d h ALA 53 Ca -0.46 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 2b9d h ALA 53 Cb 1.28 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2b9d h ALA 53 CO 0.64 -0.31 -1.96 0.66 0.00 0.00 0.00 179.25 178.29 2b9d n TYR 54 N -4.50 0.00 -0.18 0.00 4.01 -1.26 -4.76 117.16 110.47 2b9d n TYR 54 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2b9d n TYR 54 Cb 0.55 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 2b9d n TYR 54 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b9d n GLU 56 N -0.33 -1.03 -1.71 0.00 -0.58 -0.88 -4.94 120.64 111.18 2b9d n GLU 56 Ca 0.00 0.26 -0.39 0.00 -0.42 0.00 0.00 57.16 56.60 2b9d n GLU 56 Cb 0.04 -4.32 0.03 0.00 -0.57 0.00 0.00 31.44 26.63 2b9d n GLU 56 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2b9d n LYS 57 N -0.65 1.64 -2.52 3.49 4.81 -1.26 -4.54 118.16 119.14 2b9d n LYS 57 Ca 0.00 0.60 -0.40 0.00 -0.87 0.00 0.00 58.31 57.63 2b9d n LYS 57 Cb 0.26 -2.44 -0.04 0.00 0.02 0.00 0.00 35.03 32.83 2b9d n LYS 57 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2b9d s LEU 58 N -2.56 4.54 -0.12 3.14 1.02 -1.26 0.24 118.68 123.68 2b9d s LEU 58 Ca 0.68 2.17 0.01 0.00 0.02 0.00 0.00 54.13 57.02 2b9d s LEU 58 Cb -0.45 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.14 2b9d s LEU 58 CO 0.52 -0.14 -0.17 -0.69 0.02 0.00 0.00 176.35 175.89 2b9d s VAL 59 N -0.83 2.65 -0.13 -1.59 1.01 0.10 -4.85 120.40 116.76 2b9d s VAL 59 Ca 0.46 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2b9d s VAL 59 Cb -0.30 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2b9d s VAL 59 CO 0.38 0.53 -0.18 -0.13 0.00 0.00 0.00 175.10 175.71 2b9d s ARG 60 N 0.43 3.20 0.04 2.72 0.52 -1.26 -1.65 118.95 122.95 2b9d s ARG 60 Ca -0.13 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 2b9d s ARG 60 Cb -0.16 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 2b9d s ARG 60 CO 0.06 0.10 0.04 -0.48 0.02 0.00 0.00 175.30 175.04 2b9d s LEU 61 N 0.58 2.07 -0.09 2.53 0.05 -0.67 -5.01 118.68 118.14 2b9d s LEU 61 Ca -0.10 -0.64 -0.01 0.00 0.05 0.00 0.00 54.13 53.42 2b9d s LEU 61 Cb -0.16 0.39 -0.03 0.00 -2.05 0.00 0.00 46.19 44.34 2b9d s LEU 61 CO 0.03 -0.48 -0.02 -0.89 -0.55 0.00 0.00 176.35 174.44 2b9d s THR 62 N -2.68 4.10 0.17 5.48 2.01 -1.26 0.20 115.64 123.66 2b9d s THR 62 Ca -0.04 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.71 2b9d s THR 62 Cb -0.01 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 2b9d s THR 62 CO -0.05 0.59 -0.15 0.68 -0.69 0.00 0.00 174.62 174.99 2b9d s VAL 63 N -0.69 1.65 -0.23 3.82 -7.23 -0.23 -4.96 120.40 112.52 2b9d s VAL 63 Ca 0.11 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2b9d s VAL 63 Cb -0.12 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.99 2b9d s VAL 63 CO 0.02 -0.47 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.04 2b9d s LEU 64 N -2.89 2.94 0.05 1.32 2.96 -1.26 -0.65 118.68 121.16 2b9d s LEU 64 Ca 0.17 -0.73 -0.25 0.00 -0.22 0.00 0.00 54.13 53.10 2b9d s LEU 64 Cb -0.03 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 45.07 2b9d s LEU 64 CO 0.06 -0.08 0.59 0.00 -1.32 0.00 0.00 176.35 175.59 2b9d s ALA 65 N 1.35 -1.52 0.83 5.97 0.00 -0.75 -4.87 121.76 122.78 2b9d s ALA 65 Ca 0.02 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 2b9d s ALA 65 Cb -0.15 0.42 0.09 0.00 0.00 0.00 0.00 23.12 23.48 2b9d s ALA 65 CO -0.06 -0.54 1.10 0.16 0.00 0.00 0.00 175.76 176.42 2b9d s ASP 66 N -1.98 4.13 0.19 0.00 -4.77 -1.26 -0.77 116.67 112.21 2b9d s ASP 66 Ca -0.05 1.30 -0.13 0.00 -3.30 0.00 0.00 52.55 50.37 2b9d s ASP 66 Cb -0.01 -2.00 0.21 0.00 -1.09 0.00 0.00 42.92 40.03 2b9d s ASP 66 CO -0.02 -2.20 1.69 -0.74 0.70 0.00 0.00 175.17 174.61 2b9d h HIS 67 N -1.25 0.05 -0.09 2.11 -0.00 -1.96 -1.66 115.15 112.35 2b9d h HIS 67 Ca -0.48 0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 59.81 2b9d h HIS 67 Cb 1.28 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.74 2b9d h HIS 67 CO 0.43 -0.08 -0.45 0.77 -0.00 0.00 0.00 177.93 178.61 2b9d h SER 68 N 0.16 0.22 -0.48 3.26 0.02 -1.97 -0.67 113.55 114.09 2b9d h SER 68 Ca 0.26 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 2b9d h SER 68 Cb 0.39 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2b9d h SER 68 CO -0.39 0.64 -0.10 0.00 -1.14 0.00 0.00 176.83 175.83 2b9d h ALA 69 N 1.37 0.66 -0.48 3.77 0.00 -1.74 0.12 119.26 122.95 2b9d h ALA 69 Ca 0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2b9d h ALA 69 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2b9d h ALA 69 CO 0.07 0.55 0.00 0.82 0.00 0.00 0.00 179.25 180.69 2b9d h ILE 70 N 0.76 1.26 -0.34 0.00 2.04 -0.97 0.20 117.51 120.46 2b9d h ILE 70 Ca 0.12 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2b9d h ILE 70 Cb 0.65 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2b9d h ILE 70 CO 0.04 0.37 0.20 -0.09 0.00 0.00 0.00 178.15 178.67 2b9d h ARG 71 N 0.71 0.40 -0.35 2.37 2.43 -1.02 -0.62 114.38 118.30 2b9d h ARG 71 Ca 0.14 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2b9d h ARG 71 Cb 0.51 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 2b9d h ARG 71 CO 0.02 0.26 0.07 0.37 -1.51 0.00 0.00 179.97 179.19 2b9d h GLN 72 N 0.41 0.19 -0.35 0.20 4.15 -0.60 -1.07 115.11 118.04 2b9d h GLN 72 Ca 0.14 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 2b9d h GLN 72 Cb 0.01 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2b9d h GLN 72 CO -0.07 0.12 0.21 1.25 -1.93 0.00 0.00 178.83 178.41 2b9d h LEU 73 N 0.19 0.42 -1.15 -2.39 5.85 -0.31 -0.30 115.31 117.63 2b9d h LEU 73 Ca 0.17 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2b9d h LEU 73 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2b9d h LEU 73 CO -0.22 0.36 0.14 -0.33 -0.34 0.00 0.00 178.44 178.06 2b9d h GLU 74 N 0.45 0.74 -0.51 1.25 4.39 -0.94 -0.72 114.58 119.24 2b9d h GLU 74 Ca 0.12 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2b9d h GLU 74 Cb 0.02 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2b9d h GLU 74 CO -0.02 0.66 0.21 1.49 -1.16 0.00 0.00 179.01 180.18 2b9d h GLU 75 N 0.72 0.76 -0.88 2.33 4.57 -0.72 -2.78 114.58 118.59 2b9d h GLU 75 Ca 0.17 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2b9d h GLU 75 Cb 0.23 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 2b9d h GLU 75 CO -0.01 0.66 0.58 0.52 -1.18 0.00 0.00 179.01 179.59 2b9d h MET 76 N 0.68 1.14 0.00 1.92 2.86 -0.21 -2.57 114.93 118.75 2b9d h MET 76 Ca 0.17 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2b9d h MET 76 Cb 0.18 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2b9d h MET 76 CO -0.02 0.75 -0.12 -0.07 1.06 0.00 0.00 176.91 178.52 2b9d h LEU 77 N 1.17 0.00 -0.65 1.22 3.38 -0.90 0.40 115.31 119.93 2b9d h LEU 77 Ca 0.33 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.35 2b9d h LEU 77 Cb -0.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2b9d h LEU 77 CO -0.08 0.12 0.37 -0.07 0.09 0.00 0.00 178.44 178.88 2b9d h LEU 78 N 0.00 0.57 0.00 1.67 3.38 -1.21 -3.44 115.31 116.29 2b9d h LEU 78 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2b9d h LEU 78 Cb 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2b9d h LEU 78 CO 0.02 0.38 0.00 0.54 0.09 0.00 0.00 178.44 179.46 2b9d n ARG 79 N -4.77 0.00 0.11 1.13 1.74 -1.05 -4.97 116.66 108.85 2b9d n ARG 79 Ca 0.08 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 2b9d n ARG 79 Cb 0.15 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.77 2b9d n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2b9d h SER 80 N 0.00 0.00 -3.65 0.55 4.64 -1.27 -3.45 113.55 110.37 2b9d h SER 80 Ca 0.00 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 60.98 2b9d h SER 80 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 2b9d h SER 80 CO 0.00 0.04 -0.72 -0.22 -0.87 0.00 0.00 176.83 175.06 2b9d s LEU 81 N -4.91 1.61 0.03 5.97 0.20 -0.08 -5.01 118.68 116.49 2b9d s LEU 81 Ca 0.06 0.03 0.07 0.00 0.69 0.00 0.00 54.13 54.98 2b9d s LEU 81 Cb 0.11 -0.01 -0.02 0.00 -0.43 0.00 0.00 46.19 45.84 2b9d s LEU 81 CO 0.70 -0.05 -0.21 0.20 -0.29 0.00 0.00 176.35 176.70 2b9d s ASN 82 N 0.44 2.53 0.43 3.68 -0.87 -1.26 -4.21 114.94 115.67 2b9d s ASN 82 Ca -0.04 -0.50 -0.00 0.00 -1.57 0.00 0.00 52.86 50.75 2b9d s ASN 82 Cb -0.05 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.25 40.93 2b9d s ASN 82 CO -0.01 0.19 0.65 0.27 -2.57 0.00 0.00 177.10 175.63 2b9d s ILE 83 N -0.73 4.44 -0.03 0.60 -5.25 -1.26 -4.85 121.20 114.11 2b9d s ILE 83 Ca 0.08 -0.39 0.05 0.00 -0.99 0.00 0.00 60.65 59.40 2b9d s ILE 83 Cb -0.09 -3.64 -0.01 0.00 2.95 0.00 0.00 42.46 41.67 2b9d s ILE 83 CO 0.01 -0.47 -0.18 -0.69 -1.79 0.00 0.00 174.94 171.83 2b9d s VAL 84 N -2.52 1.45 0.79 8.37 1.01 -1.26 -0.85 120.40 127.39 2b9d s VAL 84 Ca 0.46 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2b9d s VAL 84 Cb -0.10 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.11 2b9d s VAL 84 CO 0.38 0.41 1.10 0.00 0.00 0.00 0.00 175.10 177.00 2b9d h PRO 86 N -1.03 0.59 -0.23 0.00 0.11 -1.97 0.23 132.00 129.69 2b9d h PRO 86 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2b9d h PRO 86 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2b9d h PRO 86 CO 0.60 0.39 -0.02 1.25 -0.21 0.00 0.00 178.00 180.01 2b9d h LEU 87 N 0.60 0.41 -1.09 2.35 5.85 -1.99 -2.80 115.31 118.64 2b9d h LEU 87 Ca 0.33 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2b9d h LEU 87 Cb 0.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2b9d h LEU 87 CO -0.25 0.65 -0.36 0.00 -0.34 0.00 0.00 178.44 178.14 2b9d h THR 89 N 0.00 0.00 0.00 0.00 2.02 -0.29 -2.06 112.91 112.58 2b9d h THR 89 Ca -0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 2b9d h THR 89 Cb 0.81 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2b9d h THR 89 CO 0.05 0.00 -1.51 0.18 0.37 0.00 0.00 175.52 174.61 2b9d n LEU 90 N -2.57 0.00 -0.35 2.58 4.32 -0.46 -5.07 117.00 115.45 2b9d n LEU 90 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 2b9d n LEU 90 Cb 0.13 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 2b9d n LEU 90 CO 0.17 0.07 0.00 1.67 -1.22 0.00 0.00 177.39 178.08 2b9d n GLN 91 N -2.00 0.00 0.00 3.23 -0.06 0.75 -5.08 117.38 114.21 2b9d n GLN 91 Ca -0.06 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.06 2b9d n GLN 91 Cb 0.43 -0.23 0.00 0.00 -4.06 0.00 0.00 30.24 26.38 2b9d n GLN 91 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2b9d n ARG 92 N 0.54 0.00 0.00 3.69 0.63 -1.23 -4.96 116.66 115.33 2b9d n ARG 92 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2b9d n ARG 92 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2b9d n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12