#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 4.69 0.23 0.38 0.04 -1.26 -4.98 135.00 134.11 1pyc s PRO 61 Ca 0.00 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1pyc s PRO 61 Cb 0.00 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 1pyc s PRO 61 CO 0.00 0.31 1.49 -0.51 0.04 0.00 0.00 177.00 178.32 1pyc s LEU 62 N -1.44 4.38 0.10 -3.56 2.01 -1.26 -4.99 118.68 113.92 1pyc s LEU 62 Ca 0.44 2.68 -0.25 0.00 0.01 0.00 0.00 54.13 57.01 1pyc s LEU 62 Cb -0.29 -3.62 0.07 0.00 0.01 0.00 0.00 46.19 42.36 1pyc s LEU 62 CO 0.36 -0.75 0.60 -0.94 1.01 0.00 0.00 176.35 176.64 1pyc s SER 63 N 0.58 -0.57 0.86 2.29 1.04 -1.26 -4.90 113.70 111.75 1pyc s SER 63 Ca 0.62 0.17 -0.13 0.00 0.48 0.00 0.00 55.95 57.10 1pyc s SER 63 Cb -0.43 0.57 0.13 0.00 0.10 0.00 0.00 66.02 66.40 1pyc s SER 63 CO 0.41 -0.86 1.22 0.00 0.98 0.00 0.00 173.24 174.99 1pyc h THR 65 N -1.25 0.15 0.00 0.00 1.35 -1.77 -2.39 112.91 109.01 1pyc h THR 65 Ca -0.45 -1.22 -0.36 0.00 -0.55 0.00 0.00 66.41 63.83 1pyc h THR 65 Cb 1.28 2.03 -0.07 0.00 -1.73 0.00 0.00 68.15 69.66 1pyc h THR 65 CO 0.51 0.09 -2.32 -0.38 -0.25 0.00 0.00 175.52 173.17 1pyc n ILE 66 N -3.08 1.43 -0.02 6.82 5.41 -1.26 -3.73 119.36 124.93 1pyc n ILE 66 Ca 0.03 -0.81 -0.08 0.00 1.00 0.00 0.00 62.75 62.89 1pyc n ILE 66 Cb 0.57 -0.66 0.09 0.00 -0.71 0.00 0.00 39.64 38.93 1pyc n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyc h ARG 68 N 0.49 0.00 0.07 0.00 2.43 -1.65 -1.21 114.38 114.52 1pyc h ARG 68 Ca 0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1pyc h ARG 68 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1pyc h ARG 68 CO 0.08 0.00 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.29 1pyc h LYS 69 N 0.00 -0.09 0.00 0.20 3.64 -1.50 -3.28 116.57 115.54 1pyc h LYS 69 Ca 0.00 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 1pyc h LYS 69 Cb 0.75 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1pyc h LYS 69 CO 0.00 0.45 -0.74 0.00 -2.27 0.00 0.00 179.45 176.90 1pyc h ARG 70 N -0.71 0.00 -2.95 1.90 2.47 -1.53 -3.48 114.38 110.09 1pyc h ARG 70 Ca -0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1pyc h ARG 70 Cb 0.58 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1pyc h ARG 70 CO 0.02 0.59 -0.02 1.17 0.56 0.00 0.00 179.97 182.28 1pyc n LYS 71 N -3.21 -0.08 -4.57 0.04 3.00 -0.77 -5.09 118.16 107.49 1pyc n LYS 71 Ca -0.00 0.02 -0.26 0.00 -0.00 0.00 0.00 58.31 58.07 1pyc n LYS 71 Cb 0.80 -1.74 -0.11 0.00 0.00 0.00 0.00 35.03 33.98 1pyc n LYS 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pyc s VAL 72 N -3.01 2.02 -0.22 3.15 -7.23 -0.53 -5.04 120.40 109.55 1pyc s VAL 72 Ca 0.01 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 1pyc s VAL 72 Cb -0.00 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.13 1pyc s VAL 72 CO 0.02 -0.10 1.06 -0.54 -0.31 0.00 0.00 175.10 175.24 1pyc s LYS 73 N -3.68 4.26 0.71 4.82 -0.14 -1.26 -4.55 119.74 119.90 1pyc s LYS 73 Ca 0.34 1.39 -0.13 0.00 -1.36 0.00 0.00 55.97 56.21 1pyc s LYS 73 Cb 0.07 -3.65 0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1pyc s LYS 73 CO 0.17 -0.63 1.10 0.00 -0.76 0.00 0.00 175.35 175.23 1pyc n ASP 75 N -2.94 1.14 -1.53 0.00 9.92 -1.26 -5.02 116.55 116.86 1pyc n ASP 75 Ca 0.10 0.18 -0.08 0.00 -0.53 0.00 0.00 54.79 54.45 1pyc n ASP 75 Cb 0.53 -0.42 0.03 0.00 -0.64 0.00 0.00 41.12 40.61 1pyc n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1pyc n LYS 76 N -3.71 -2.63 -3.62 -1.24 0.00 -1.26 -5.03 118.16 100.66 1pyc n LYS 76 Ca -0.14 0.30 -0.37 0.00 0.00 0.00 0.00 58.31 58.11 1pyc n LYS 76 Cb 0.44 -3.77 -0.06 0.00 0.00 0.00 0.00 35.03 31.64 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1pyc s LEU 77 N -3.15 4.42 0.12 3.14 0.05 -1.26 -5.06 118.68 116.94 1pyc s LEU 77 Ca 0.19 0.78 -0.20 0.00 0.05 0.00 0.00 54.13 54.95 1pyc s LEU 77 Cb -0.08 -2.59 -0.07 0.00 -2.05 0.00 0.00 46.19 41.40 1pyc s LEU 77 CO 0.23 0.30 0.63 -0.13 -0.55 0.00 0.00 176.35 176.83 1pyc s ARG 78 N -1.34 4.25 -0.13 1.48 1.81 -1.26 -3.21 118.95 120.55 1pyc s ARG 78 Ca 0.25 0.81 -0.26 0.00 -1.72 0.00 0.00 55.73 54.80 1pyc s ARG 78 Cb -0.15 -3.16 -0.26 0.00 -0.45 0.00 0.00 34.95 30.93 1pyc s ARG 78 CO 0.13 0.58 0.72 -1.00 -0.68 0.00 0.00 175.30 175.05 1pyc h PRO 79 N 4.24 0.06 -6.10 3.54 0.13 -2.04 -3.49 132.00 128.35 1pyc h PRO 79 Ca -0.49 -0.10 -0.59 0.00 -0.87 0.00 0.00 66.00 63.95 1pyc h PRO 79 Cb 1.21 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1pyc h PRO 79 CO 0.64 1.05 -0.67 -1.01 -0.23 0.00 0.00 178.00 177.78 1pyc s HIS 80 N -2.28 2.49 1.05 1.56 3.76 -1.20 -5.04 115.29 115.63 1pyc s HIS 80 Ca -0.19 -0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 54.17 1pyc s HIS 80 Cb -0.01 -1.28 0.24 0.00 1.11 0.00 0.00 32.58 32.64 1pyc s HIS 80 CO 0.71 0.59 1.27 0.00 -0.85 0.00 0.00 174.74 176.45 1pyc h GLN 82 N -1.99 0.00 0.03 0.00 4.20 -1.96 -1.90 115.11 113.48 1pyc h GLN 82 Ca -0.44 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1pyc h GLN 82 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1pyc h GLN 82 CO 0.34 0.00 -0.01 0.37 -0.67 0.00 0.00 178.83 178.86 1pyc h GLN 83 N 0.00 -0.04 -0.29 1.46 4.15 -1.93 -3.26 115.11 115.20 1pyc h GLN 83 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1pyc h GLN 83 Cb 0.46 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1pyc h GLN 83 CO 0.00 -0.02 0.19 0.00 -1.93 0.00 0.00 178.83 177.07 1pyc h THR 85 N 0.34 1.33 -0.22 0.00 2.02 -1.54 -0.18 112.91 114.66 1pyc h THR 85 Ca 0.11 -2.17 -0.11 0.00 0.77 0.00 0.00 66.41 65.01 1pyc h THR 85 Cb 0.04 2.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1pyc h THR 85 CO -0.02 0.67 -0.30 0.50 0.37 0.00 0.00 175.52 176.73 1pyc h LYS 86 N 0.38 0.59 0.00 6.66 3.64 -1.49 -3.29 116.57 123.05 1pyc h LYS 86 Ca -0.07 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 58.89 1pyc h LYS 86 Cb 1.48 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1pyc h LYS 86 CO 0.16 0.95 -1.31 -2.37 -2.27 0.00 0.00 179.45 174.61 1pyc n THR 87 N -4.32 0.80 -0.84 1.00 5.66 -0.75 -4.96 114.28 110.86 1pyc n THR 87 Ca -0.05 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1pyc n THR 87 Cb 0.47 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1pyc n THR 87 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pyc n GLY 88 N 1.29 0.50 2.60 1.09 0.00 -0.79 -5.01 105.19 104.87 1pyc n GLY 88 Ca -0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1pyc n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pyc n VAL 89 N -0.44 1.54 0.43 1.61 3.14 -0.15 -4.84 118.33 119.63 1pyc n VAL 89 Ca 0.00 -3.46 0.13 0.00 -2.96 0.00 0.00 64.34 58.05 1pyc n VAL 89 Cb 0.21 0.34 0.46 0.00 -1.06 0.00 0.00 33.84 33.79 1pyc n VAL 89 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pyc h ALA 90 N 2.66 1.00 -0.18 1.55 0.00 -1.89 -0.85 119.26 121.54 1pyc h ALA 90 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1pyc h ALA 90 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1pyc h ALA 90 CO 0.47 0.00 -0.16 1.12 0.00 0.00 0.00 179.25 180.68 1pyc h HIS 91 N 0.00 0.32 0.00 0.00 2.07 -1.90 -2.26 115.15 113.38 1pyc h HIS 91 Ca 0.00 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 1pyc h HIS 91 Cb 0.57 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.46 1pyc h HIS 91 CO 0.00 0.46 0.00 1.28 -3.07 0.00 0.00 177.93 176.60 1pyc n LEU 92 N -4.23 0.00 -4.49 6.12 4.77 -0.34 -4.74 117.00 114.10 1pyc n LEU 92 Ca -0.00 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 1pyc n LEU 92 Cb 0.30 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1pyc n LEU 92 CO 0.39 -0.00 0.88 0.00 -1.33 0.00 0.00 177.39 177.32 1pyc s HIS 94 N 4.54 -0.37 0.07 0.00 3.76 -1.26 -5.01 115.29 117.01 1pyc s HIS 94 Ca 0.27 0.86 -0.11 0.00 -0.15 0.00 0.00 55.06 55.93 1pyc s HIS 94 Cb -0.14 0.11 -0.06 0.00 1.11 0.00 0.00 32.58 33.61 1pyc s HIS 94 CO 0.13 -0.21 0.41 0.71 -0.85 0.00 0.00 174.74 174.93 1pyc s TYR 95 N 0.70 3.61 -0.17 1.40 2.02 -1.26 -3.11 117.35 120.53 1pyc s TYR 95 Ca -0.04 0.83 -0.29 0.00 -0.37 0.00 0.00 57.07 57.20 1pyc s TYR 95 Cb -0.06 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1pyc s TYR 95 CO -0.04 0.53 1.78 -1.64 -1.57 0.00 0.00 175.55 174.61 1pyc s MET 96 N -1.78 3.76 -0.21 -0.62 -1.94 -0.95 -4.93 119.30 112.62 1pyc s MET 96 Ca 0.32 1.92 -0.29 0.00 -1.71 0.00 0.00 55.69 55.92 1pyc s MET 96 Cb -0.14 -4.11 -0.00 0.00 2.01 0.00 0.00 34.83 32.58 1pyc s MET 96 CO 0.17 -1.35 1.15 -1.21 -0.01 0.00 0.00 175.02 173.77 1pyc s GLU 97 N 4.90 4.21 -0.22 2.03 2.02 -1.26 -4.77 118.70 125.60 1pyc s GLU 97 Ca 0.80 1.46 0.11 0.00 0.02 0.00 0.00 54.97 57.35 1pyc s GLU 97 Cb -0.30 -3.72 0.43 0.00 0.10 0.00 0.00 34.13 30.64 1pyc s GLU 97 CO 0.32 -0.72 1.21 1.04 0.02 0.00 0.00 175.26 177.14 1pyc n GLN 98 N 6.56 1.91 0.01 1.61 6.02 -1.26 -4.49 117.38 127.74 1pyc n GLN 98 Ca 0.13 -3.43 -0.06 0.00 -0.01 0.00 0.00 57.00 53.63 1pyc n GLN 98 Cb 0.46 -1.70 -0.12 0.00 1.02 0.00 0.00 30.24 29.90 1pyc n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pyc h THR 99 N 1.37 0.92 0.00 5.09 1.03 -2.02 -3.53 112.91 115.77 1pyc h THR 99 Ca 0.06 -2.64 0.00 0.00 -0.01 0.00 0.00 66.41 63.82 1pyc h THR 99 Cb 1.12 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.60 1pyc h THR 99 CO 0.14 0.52 0.00 0.79 -0.01 0.00 0.00 175.52 176.96