#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyc s PRO 61 N 0.00 4.43 0.25 6.28 0.04 -1.26 -4.97 135.00 139.76 1pyc s PRO 61 Ca 0.00 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1pyc s PRO 61 Cb 0.00 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 1pyc s PRO 61 CO 0.00 -0.20 1.34 -0.51 0.04 0.00 0.00 177.00 177.67 1pyc s LEU 62 N 0.20 4.41 0.35 -3.56 2.01 -1.26 -4.96 118.68 115.87 1pyc s LEU 62 Ca 0.56 2.54 0.09 0.00 0.01 0.00 0.00 54.13 57.34 1pyc s LEU 62 Cb -0.34 -3.62 -0.06 0.00 0.01 0.00 0.00 46.19 42.18 1pyc s LEU 62 CO 0.35 -0.57 -0.05 -0.94 1.01 0.00 0.00 176.35 176.15 1pyc s SER 63 N 0.12 3.93 0.83 2.29 1.04 -1.26 -4.18 113.70 116.48 1pyc s SER 63 Ca 0.55 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 1pyc s SER 63 Cb -0.39 -0.43 0.17 0.00 0.10 0.00 0.00 66.02 65.48 1pyc s SER 63 CO 0.43 -0.23 1.14 0.00 0.98 0.00 0.00 173.24 175.57 1pyc h THR 65 N -1.03 1.31 0.08 0.00 1.35 -1.70 -1.25 112.91 111.67 1pyc h THR 65 Ca -0.39 -1.51 -0.30 0.00 -0.55 0.00 0.00 66.41 63.67 1pyc h THR 65 Cb 1.25 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 1pyc h THR 65 CO 0.37 0.45 -1.56 0.40 -0.25 0.00 0.00 175.52 174.92 1pyc h ILE 66 N 0.22 1.09 0.00 6.82 5.03 -1.87 -3.36 117.51 125.44 1pyc h ILE 66 Ca 0.02 -2.79 0.00 0.00 -0.12 0.00 0.00 64.86 61.97 1pyc h ILE 66 Cb 0.81 2.67 0.00 0.00 -3.03 0.00 0.00 36.82 37.27 1pyc h ILE 66 CO 0.06 0.77 0.00 0.00 -0.68 0.00 0.00 178.15 178.31 1pyc h ARG 68 N 0.00 0.00 0.04 0.00 2.43 -1.39 -1.42 114.38 114.04 1pyc h ARG 68 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1pyc h ARG 68 Cb 0.52 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1pyc h ARG 68 CO 0.00 0.41 -0.53 0.87 -1.51 0.00 0.00 179.97 179.21 1pyc h LYS 69 N 0.00 0.28 0.00 0.20 1.57 -1.49 -3.34 116.57 113.79 1pyc h LYS 69 Ca -0.03 -0.36 -0.20 0.00 -1.87 0.00 0.00 60.65 58.19 1pyc h LYS 69 Cb 1.38 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.77 1pyc h LYS 69 CO 0.05 1.09 -1.09 0.07 -0.57 0.00 0.00 179.45 179.00 1pyc h ARG 70 N -0.36 0.00 -3.89 3.15 0.11 -1.56 -3.48 114.38 108.35 1pyc h ARG 70 Ca -0.08 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.88 1pyc h ARG 70 Cb 1.31 0.00 0.08 0.00 1.11 0.00 0.00 29.97 32.47 1pyc h ARG 70 CO 0.10 0.70 -0.36 1.17 0.10 0.00 0.00 179.97 181.67 1pyc n LYS 71 N -3.20 -1.78 -3.38 0.08 3.00 -0.57 -5.06 118.16 107.26 1pyc n LYS 71 Ca -0.04 0.38 -0.30 0.00 -0.00 0.00 0.00 58.31 58.34 1pyc n LYS 71 Cb 0.91 -3.65 -0.04 0.00 0.00 0.00 0.00 35.03 32.25 1pyc n LYS 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pyc s VAL 72 N -3.17 4.99 -0.78 3.15 1.01 -1.03 -5.01 120.40 119.56 1pyc s VAL 72 Ca 0.12 0.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 1pyc s VAL 72 Cb -0.02 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1pyc s VAL 72 CO 0.32 -0.20 1.20 -0.54 0.00 0.00 0.00 175.10 175.89 1pyc s LYS 73 N -3.19 3.27 0.39 2.72 3.01 -1.26 -4.75 119.74 119.92 1pyc s LYS 73 Ca 0.45 -0.68 0.06 0.00 -1.01 0.00 0.00 55.97 54.79 1pyc s LYS 73 Cb -0.11 -4.45 0.00 0.00 -1.01 0.00 0.00 37.83 32.26 1pyc s LYS 73 CO 0.26 -2.03 0.55 0.00 0.51 0.00 0.00 175.35 174.63 1pyc n ASP 75 N -1.81 0.00 0.00 0.00 8.00 -1.26 -4.71 116.55 116.78 1pyc n ASP 75 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1pyc n ASP 75 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1pyc n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pyc n LYS 76 N 0.00 0.00 -1.99 -1.24 5.02 -1.26 -4.74 118.16 113.94 1pyc n LYS 76 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1pyc n LYS 76 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pyc s LEU 77 N 0.00 4.37 0.18 -0.35 1.02 -1.26 -4.99 118.68 117.65 1pyc s LEU 77 Ca 0.00 2.58 -0.17 0.00 0.02 0.00 0.00 54.13 56.57 1pyc s LEU 77 Cb 0.00 -3.60 -0.08 0.00 0.02 0.00 0.00 46.19 42.53 1pyc s LEU 77 CO 0.00 -0.77 0.63 -0.13 0.02 0.00 0.00 176.35 176.10 1pyc s ARG 78 N 0.76 4.09 -0.09 1.70 1.81 -1.26 -3.43 118.95 122.53 1pyc s ARG 78 Ca 0.66 0.65 -0.25 0.00 -1.72 0.00 0.00 55.73 55.08 1pyc s ARG 78 Cb -0.42 -2.89 -0.21 0.00 -0.45 0.00 0.00 34.95 30.97 1pyc s ARG 78 CO 0.34 0.43 0.87 -1.35 -0.68 0.00 0.00 175.30 174.91 1pyc h PRO 79 N 3.46 -0.03 -6.21 3.54 0.11 -2.02 -3.47 132.00 127.38 1pyc h PRO 79 Ca -0.48 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.14 1pyc h PRO 79 Cb 1.19 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1pyc h PRO 79 CO 0.65 0.69 -0.47 -3.38 -0.21 0.00 0.00 178.00 175.29 1pyc s HIS 80 N -2.89 3.04 0.83 0.65 -3.43 -1.22 -5.02 115.29 107.24 1pyc s HIS 80 Ca -0.16 -0.20 -0.11 0.00 -0.80 0.00 0.00 55.06 53.78 1pyc s HIS 80 Cb -0.01 -1.65 0.12 0.00 -1.43 0.00 0.00 32.58 29.61 1pyc s HIS 80 CO 0.61 0.31 1.18 0.00 -2.00 0.00 0.00 174.74 174.85 1pyc h GLN 82 N -1.12 0.10 0.27 0.00 -0.00 -1.97 -0.98 115.11 111.41 1pyc h GLN 82 Ca -0.44 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.19 1pyc h GLN 82 Cb 1.29 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1pyc h GLN 82 CO 0.54 0.06 -0.13 1.96 -0.00 0.00 0.00 178.83 181.26 1pyc h GLN 83 N 0.10 -0.34 0.00 0.06 1.08 -1.97 -3.26 115.11 110.78 1pyc h GLN 83 Ca 0.18 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1pyc h GLN 83 Cb 0.58 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1pyc h GLN 83 CO -0.02 -0.05 0.00 0.00 -0.95 0.00 0.00 178.83 177.81 1pyc h THR 85 N 0.00 1.51 0.01 0.00 2.02 -1.28 -1.85 112.91 113.31 1pyc h THR 85 Ca 0.00 -1.84 -0.21 0.00 0.77 0.00 0.00 66.41 65.13 1pyc h THR 85 Cb 0.17 2.62 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1pyc h THR 85 CO 0.00 0.51 -0.97 0.50 0.37 0.00 0.00 175.52 175.93 1pyc h LYS 86 N -0.42 0.04 0.11 6.66 3.64 -1.44 -3.26 116.57 121.90 1pyc h LYS 86 Ca -0.03 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.10 1pyc h LYS 86 Cb 0.96 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1pyc h LYS 86 CO 0.05 0.97 -0.98 1.15 -2.27 0.00 0.00 179.45 178.38 1pyc h THR 87 N 0.01 1.33 0.00 1.00 2.02 -1.22 -3.48 112.91 112.56 1pyc h THR 87 Ca -0.02 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.71 1pyc h THR 87 Cb 1.70 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 71.09 1pyc h THR 87 CO 0.13 0.67 0.00 0.61 0.37 0.00 0.00 175.52 177.31 1pyc n GLY 88 N 1.67 1.62 2.69 2.16 0.00 -0.74 -4.99 105.19 107.60 1pyc n GLY 88 Ca -0.19 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1pyc n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pyc n VAL 89 N -1.54 3.15 0.27 1.61 0.24 -0.96 -4.66 118.33 116.44 1pyc n VAL 89 Ca 0.00 -4.40 0.15 0.00 -2.04 0.00 0.00 64.34 58.05 1pyc n VAL 89 Cb 0.05 -1.24 0.73 0.00 -1.47 0.00 0.00 33.84 31.91 1pyc n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyc h ALA 90 N 2.75 1.10 -0.20 2.33 0.00 -1.86 -1.14 119.26 122.24 1pyc h ALA 90 Ca 0.48 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1pyc h ALA 90 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1pyc h ALA 90 CO 1.23 0.11 -0.22 1.12 0.00 0.00 0.00 179.25 181.49 1pyc h HIS 91 N 0.00 0.38 -0.06 0.00 2.07 -1.90 -2.16 115.15 113.49 1pyc h HIS 91 Ca -0.00 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1pyc h HIS 91 Cb 0.43 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.31 1pyc h HIS 91 CO 0.00 0.56 0.00 1.28 -3.07 0.00 0.00 177.93 176.70 1pyc n LEU 92 N -4.16 1.62 -4.35 6.12 4.77 -0.47 -4.80 117.00 115.72 1pyc n LEU 92 Ca -0.01 -0.58 -0.45 0.00 -0.03 0.00 0.00 56.01 54.94 1pyc n LEU 92 Cb 0.36 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1pyc n LEU 92 CO 0.40 0.29 0.18 0.00 -1.33 0.00 0.00 177.39 176.93 1pyc s HIS 94 N 1.89 0.46 0.39 0.00 3.76 -1.26 -4.89 115.29 115.64 1pyc s HIS 94 Ca 0.06 -0.09 -0.15 0.00 -0.15 0.00 0.00 55.06 54.73 1pyc s HIS 94 Cb -0.27 -0.31 -0.09 0.00 1.11 0.00 0.00 32.58 33.02 1pyc s HIS 94 CO 0.05 -0.02 0.82 0.71 -0.85 0.00 0.00 174.74 175.45 1pyc s TYR 95 N -0.03 3.40 0.19 1.40 2.02 -1.26 -2.17 117.35 120.89 1pyc s TYR 95 Ca 0.01 1.28 -0.30 0.00 -0.37 0.00 0.00 57.07 57.69 1pyc s TYR 95 Cb -0.03 -2.60 -0.08 0.00 -0.40 0.00 0.00 41.96 38.85 1pyc s TYR 95 CO -0.00 -0.06 1.07 -1.64 -1.57 0.00 0.00 175.55 173.34 1pyc s MET 96 N -3.39 4.64 -0.09 -0.62 -1.94 -1.24 -4.93 119.30 111.73 1pyc s MET 96 Ca 0.56 1.67 -0.27 0.00 -1.71 0.00 0.00 55.69 55.94 1pyc s MET 96 Cb -0.10 -3.28 -0.26 0.00 2.01 0.00 0.00 34.83 33.20 1pyc s MET 96 CO 0.22 0.15 0.90 1.49 -0.01 0.00 0.00 175.02 177.77 1pyc h GLU 97 N 4.94 0.08 -4.79 2.03 4.57 -1.95 -3.48 114.58 115.98 1pyc h GLU 97 Ca -0.44 -0.11 -0.20 0.00 -1.18 0.00 0.00 59.36 57.42 1pyc h GLU 97 Cb 1.21 0.04 0.14 0.00 -0.16 0.00 0.00 28.75 29.98 1pyc h GLU 97 CO 0.71 0.97 -0.62 0.94 -1.18 0.00 0.00 179.01 179.83 1pyc n GLN 98 N -4.54 -2.65 0.00 1.92 7.27 -1.26 -4.91 117.38 113.20 1pyc n GLN 98 Ca -0.10 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1pyc n GLN 98 Cb 0.51 -4.81 0.00 0.00 2.41 0.00 0.00 30.24 28.35 1pyc n GLN 98 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1pyc n THR 99 N -2.95 0.00 1.92 1.69 -2.24 -1.26 -5.27 114.28 106.16 1pyc n THR 99 Ca -0.10 -0.34 0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1pyc n THR 99 Cb 0.60 1.21 0.88 0.00 -2.10 0.00 0.00 70.33 70.91 1pyc n THR 99 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29