#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 4.29 0.24 0.38 0.04 -1.26 -4.81 135.00 133.87 1pyc s PRO 61 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1pyc s PRO 61 Cb 0.00 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1pyc s PRO 61 CO 0.00 -0.59 0.00 1.28 0.04 0.00 0.00 177.00 177.73 1pyc n LEU 62 N 5.91 -0.49 -4.39 -3.56 4.77 -1.26 -4.90 117.00 113.08 1pyc n LEU 62 Ca 0.13 1.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.90 1pyc n LEU 62 Cb 0.45 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.47 1pyc n LEU 62 CO 0.56 -0.65 -0.22 -0.94 -1.33 0.00 0.00 177.39 174.81 1pyc s SER 63 N -4.81 1.92 0.69 -1.43 1.04 -1.26 -4.66 113.70 105.19 1pyc s SER 63 Ca 0.00 -1.53 -0.04 0.00 0.48 0.00 0.00 55.95 54.86 1pyc s SER 63 Cb 0.00 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.50 1pyc s SER 63 CO 0.00 -0.83 0.98 0.00 0.98 0.00 0.00 173.24 174.38 1pyc h THR 65 N -0.52 1.36 0.02 0.00 1.03 -1.87 -1.30 112.91 111.62 1pyc h THR 65 Ca -0.42 -1.76 -0.25 0.00 -0.01 0.00 0.00 66.41 63.97 1pyc h THR 65 Cb 1.29 1.88 -0.03 0.00 -1.07 0.00 0.00 68.15 70.22 1pyc h THR 65 CO 0.52 0.52 -1.32 0.40 -0.01 0.00 0.00 175.52 175.63 1pyc h ILE 66 N 0.13 1.34 0.00 0.00 2.04 -1.89 -3.15 117.51 115.98 1pyc h ILE 66 Ca 0.00 -3.09 -0.00 0.00 1.00 0.00 0.00 64.86 62.77 1pyc h ILE 66 Cb 0.95 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1pyc h ILE 66 CO 0.07 0.79 -0.02 0.00 0.00 0.00 0.00 178.15 178.99 1pyc h ARG 68 N 0.00 0.00 -0.06 0.00 9.65 -1.30 -1.60 114.38 121.07 1pyc h ARG 68 Ca -0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1pyc h ARG 68 Cb 0.83 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1pyc h ARG 68 CO 0.00 0.75 -0.37 -0.22 2.80 0.00 0.00 179.97 182.93 1pyc h LYS 69 N 0.00 0.35 0.06 0.20 1.63 -1.37 -3.25 116.57 114.20 1pyc h LYS 69 Ca -0.01 -0.30 -0.24 0.00 -0.85 0.00 0.00 60.65 59.25 1pyc h LYS 69 Cb 1.54 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 33.24 1pyc h LYS 69 CO 0.10 0.96 -1.08 0.00 -3.45 0.00 0.00 179.45 175.97 1pyc h ARG 70 N -0.15 0.25 -3.59 1.90 2.47 -1.54 -3.49 114.38 110.23 1pyc h ARG 70 Ca -0.03 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1pyc h ARG 70 Cb 1.04 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1pyc h ARG 70 CO 0.08 1.12 -0.11 1.17 0.56 0.00 0.00 179.97 182.78 1pyc n LYS 71 N -3.58 -0.58 -4.23 0.04 4.81 -0.66 -5.10 118.16 108.86 1pyc n LYS 71 Ca -0.06 0.90 -0.15 0.00 -0.87 0.00 0.00 58.31 58.12 1pyc n LYS 71 Cb 0.93 -2.58 -0.11 0.00 0.02 0.00 0.00 35.03 33.29 1pyc n LYS 71 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1pyc s VAL 72 N -1.64 1.15 -0.32 3.15 -7.23 -0.87 -5.05 120.40 109.60 1pyc s VAL 72 Ca 0.06 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 1pyc s VAL 72 Cb -0.02 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1pyc s VAL 72 CO 0.20 -0.61 0.87 -0.54 -0.31 0.00 0.00 175.10 174.71 1pyc s LYS 73 N -3.19 3.96 0.45 4.82 -0.14 -1.26 -4.71 119.74 119.67 1pyc s LYS 73 Ca 0.11 0.69 0.06 0.00 -1.36 0.00 0.00 55.97 55.47 1pyc s LYS 73 Cb -0.01 -3.74 0.01 0.00 -1.68 0.00 0.00 37.83 32.41 1pyc s LYS 73 CO 0.01 -0.77 0.62 0.00 -0.76 0.00 0.00 175.35 174.45 1pyc n ASP 75 N -1.97 1.26 -2.35 0.00 8.00 -1.26 -4.17 116.55 116.06 1pyc n ASP 75 Ca 0.07 0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.77 1pyc n ASP 75 Cb 0.59 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 -3.80 -0.72 -0.06 -1.24 4.76 -1.26 -3.62 118.16 112.22 1pyc n LYS 76 Ca -0.15 1.05 -0.13 0.00 -2.87 0.00 0.00 58.31 56.21 1pyc n LYS 76 Cb 0.44 -3.82 -0.14 0.00 -1.84 0.00 0.00 35.03 29.66 1pyc n LYS 76 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1pyc n LEU 77 N -1.41 1.21 -1.97 -0.35 4.77 -1.26 -4.95 117.00 113.04 1pyc n LEU 77 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1pyc n LEU 77 Cb 0.50 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1pyc n LEU 77 CO 0.29 0.58 -0.50 0.54 -1.33 0.00 0.00 177.39 176.97 1pyc n ARG 78 N -3.06 -5.47 0.04 3.23 1.74 -1.26 -4.92 116.66 106.95 1pyc n ARG 78 Ca -0.29 3.94 -0.16 0.00 -0.77 0.00 0.00 57.85 60.57 1pyc n ARG 78 Cb 1.08 -4.33 -0.14 0.00 -1.02 0.00 0.00 32.46 28.04 1pyc n ARG 78 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pyc h PRO 79 N 3.30 0.21 -6.21 5.56 0.13 -1.99 -3.49 132.00 129.52 1pyc h PRO 79 Ca 0.00 -0.37 -0.49 0.00 -0.87 0.00 0.00 66.00 64.27 1pyc h PRO 79 Cb 0.00 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 1pyc h PRO 79 CO 0.00 1.04 -0.44 -1.01 -0.23 0.00 0.00 178.00 177.36 1pyc s HIS 80 N -2.61 2.93 0.46 1.56 3.76 -1.26 -4.76 115.29 115.37 1pyc s HIS 80 Ca -0.10 -0.29 0.07 0.00 -0.15 0.00 0.00 55.06 54.58 1pyc s HIS 80 Cb 0.07 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 1pyc s HIS 80 CO 0.83 0.17 0.34 0.00 -0.85 0.00 0.00 174.74 175.23 1pyc h GLN 82 N 1.03 0.92 0.20 0.00 1.08 -1.99 -0.85 115.11 115.51 1pyc h GLN 82 Ca -0.40 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 1pyc h GLN 82 Cb 1.28 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1pyc h GLN 82 CO 0.60 0.61 -0.10 1.96 -0.95 0.00 0.00 178.83 180.96 1pyc h GLN 83 N 0.95 -0.26 -0.06 1.46 1.08 -1.96 -3.00 115.11 113.32 1pyc h GLN 83 Ca 0.35 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1pyc h GLN 83 Cb 0.16 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1pyc h GLN 83 CO -0.12 0.05 0.00 0.00 -0.95 0.00 0.00 178.83 177.81 1pyc h THR 85 N 1.45 1.29 0.00 0.00 2.02 -1.14 -1.29 112.91 115.24 1pyc h THR 85 Ca 0.00 -2.02 -0.14 0.00 0.77 0.00 0.00 66.41 65.02 1pyc h THR 85 Cb 0.31 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 1pyc h THR 85 CO 0.00 0.64 -0.77 0.11 0.37 0.00 0.00 175.52 175.86 1pyc h LYS 86 N 0.50 0.00 0.08 6.66 1.57 -1.31 -3.29 116.57 120.77 1pyc h LYS 86 Ca -0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 1pyc h LYS 86 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.73 1pyc h LYS 86 CO 0.16 0.58 -1.04 1.15 -0.57 0.00 0.00 179.45 179.73 1pyc h THR 87 N 0.00 1.23 0.00 -0.16 2.02 -1.33 -3.48 112.91 111.19 1pyc h THR 87 Ca -0.04 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1pyc h THR 87 Cb 1.51 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 1pyc h THR 87 CO 0.08 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.20 1pyc n GLY 88 N 1.65 1.47 2.32 2.16 0.00 -0.78 -5.00 105.19 107.01 1pyc n GLY 88 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.92 3.40 0.19 1.61 0.24 -0.56 -4.33 118.33 117.96 1pyc n VAL 89 Ca 0.00 -2.82 0.07 0.00 -2.04 0.00 0.00 64.34 59.55 1pyc n VAL 89 Cb 0.00 -1.25 0.31 0.00 -1.47 0.00 0.00 33.84 31.44 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 2.09 0.93 -0.51 2.33 0.00 -1.81 0.13 119.26 122.42 1pyc h ALA 90 Ca 0.51 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1pyc h ALA 90 Cb 0.72 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1pyc h ALA 90 CO 1.32 0.42 0.19 1.12 0.00 0.00 0.00 179.25 182.30 1pyc h HIS 91 N 0.00 0.80 -0.21 0.00 2.07 -1.89 -2.21 115.15 113.71 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 0.95 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.69 1pyc h HIS 91 CO 0.00 0.67 0.00 1.28 -3.07 0.00 0.00 177.93 176.81 1pyc n LEU 92 N -4.52 1.30 -4.56 6.12 4.77 -0.70 -4.80 117.00 114.60 1pyc n LEU 92 Ca 0.02 -0.62 -0.41 0.00 -0.03 0.00 0.00 56.01 54.96 1pyc n LEU 92 Cb 0.17 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1pyc n LEU 92 CO 0.38 0.31 0.27 0.00 -1.33 0.00 0.00 177.39 177.03 1pyc s HIS 94 N 2.48 -0.47 0.02 0.00 3.76 -1.26 -4.85 115.29 114.96 1pyc s HIS 94 Ca 0.20 1.05 -0.17 0.00 -0.15 0.00 0.00 55.06 55.99 1pyc s HIS 94 Cb -0.15 0.17 -0.06 0.00 1.11 0.00 0.00 32.58 33.65 1pyc s HIS 94 CO 0.14 -0.27 0.49 0.71 -0.85 0.00 0.00 174.74 174.96 1pyc s TYR 95 N 1.03 3.74 0.06 1.40 2.02 -1.26 -3.26 117.35 121.07 1pyc s TYR 95 Ca -0.07 1.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.79 1pyc s TYR 95 Cb -0.07 -2.42 -0.03 0.00 -0.40 0.00 0.00 41.96 39.04 1pyc s TYR 95 CO -0.08 0.55 -0.13 0.00 -1.57 0.00 0.00 175.55 174.32 1pyc s MET 96 N -0.86 0.81 0.38 -0.62 0.23 -1.25 -5.02 119.30 112.97 1pyc s MET 96 Ca 0.26 -0.88 -0.21 0.00 -1.03 0.00 0.00 55.69 53.84 1pyc s MET 96 Cb -0.18 -0.79 -0.10 0.00 -1.53 0.00 0.00 34.83 32.23 1pyc s MET 96 CO 0.16 0.18 0.89 -2.00 -2.03 0.00 0.00 175.02 172.22 1pyc s GLU 97 N -1.57 4.25 0.17 3.16 2.56 -1.26 -4.72 118.70 121.28 1pyc s GLU 97 Ca -0.02 1.05 0.01 0.00 0.00 0.00 0.00 54.97 56.01 1pyc s GLU 97 Cb -0.09 -2.38 0.02 0.00 2.00 0.00 0.00 34.13 33.67 1pyc s GLU 97 CO 0.02 0.09 1.40 1.96 -0.56 0.00 0.00 175.26 178.16 1pyc h GLN 98 N 2.29 0.27 0.18 4.30 4.20 -2.00 -3.24 115.11 121.11 1pyc h GLN 98 Ca -0.48 -0.27 -0.29 0.00 0.06 0.00 0.00 58.65 57.67 1pyc h GLN 98 Cb 1.18 0.07 0.03 0.00 0.30 0.00 0.00 27.48 29.06 1pyc h GLN 98 CO 0.63 0.96 -1.24 0.00 -0.67 0.00 0.00 178.83 178.51 1pyc h THR 99 N 0.16 1.34 -0.01 -0.54 1.03 -2.07 -3.57 112.91 109.26 1pyc h THR 99 Ca -0.04 -2.57 0.00 0.00 -0.01 0.00 0.00 66.41 63.79 1pyc h THR 99 Cb 1.44 2.96 0.00 0.00 -1.07 0.00 0.00 68.15 71.48 1pyc h THR 99 CO 0.13 0.76 0.00 0.79 -0.01 0.00 0.00 175.52 177.20