#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 3.29 0.58 9.51 0.02 -1.26 -5.03 135.00 142.11 1pyc s PRO 61 Ca 0.00 0.98 -0.16 0.00 0.02 0.00 0.00 61.00 61.84 1pyc s PRO 61 Cb 0.00 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 1pyc s PRO 61 CO 0.00 -0.82 1.05 -0.51 -0.33 0.00 0.00 177.00 176.39 1pyc s LEU 62 N -5.01 3.54 0.28 -5.54 1.43 -1.26 -4.97 118.68 107.15 1pyc s LEU 62 Ca 0.59 1.80 -0.20 0.00 -1.03 0.00 0.00 54.13 55.29 1pyc s LEU 62 Cb -0.13 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.59 1pyc s LEU 62 CO 0.47 -1.08 0.80 -0.94 0.23 0.00 0.00 176.35 175.83 1pyc s SER 63 N -2.75 -0.15 0.69 2.29 1.04 -1.26 -4.90 113.70 108.66 1pyc s SER 63 Ca 0.63 -0.73 -0.09 0.00 0.48 0.00 0.00 55.95 56.24 1pyc s SER 63 Cb -0.15 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1pyc s SER 63 CO 0.35 -1.35 1.04 0.00 0.98 0.00 0.00 173.24 174.26 1pyc h THR 65 N -0.57 1.27 0.04 0.00 1.03 -1.84 -1.70 112.91 111.14 1pyc h THR 65 Ca -0.45 -1.39 -0.26 0.00 -0.01 0.00 0.00 66.41 64.30 1pyc h THR 65 Cb 1.28 1.15 -0.03 0.00 -1.07 0.00 0.00 68.15 69.48 1pyc h THR 65 CO 0.63 0.48 -1.36 0.40 -0.01 0.00 0.00 175.52 175.65 1pyc h ILE 66 N 0.82 1.30 0.00 0.00 5.03 -1.87 -3.23 117.51 119.56 1pyc h ILE 66 Ca 0.10 -3.02 -0.05 0.00 -0.12 0.00 0.00 64.86 61.77 1pyc h ILE 66 Cb 0.80 2.72 -0.01 0.00 -3.03 0.00 0.00 36.82 37.29 1pyc h ILE 66 CO 0.07 0.80 -0.24 0.00 -0.68 0.00 0.00 178.15 178.10 1pyc h ARG 68 N 0.00 0.22 -0.13 0.00 9.65 -1.38 -1.74 114.38 121.00 1pyc h ARG 68 Ca -0.00 -0.21 -0.23 0.00 -1.10 0.00 0.00 59.98 58.43 1pyc h ARG 68 Cb 0.51 0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1pyc h ARG 68 CO 0.03 0.92 -0.82 0.87 2.80 0.00 0.00 179.97 183.77 1pyc h LYS 69 N 0.13 0.78 0.03 0.20 1.79 -1.40 -3.11 116.57 114.99 1pyc h LYS 69 Ca -0.04 -0.67 -0.23 0.00 -2.18 0.00 0.00 60.65 57.54 1pyc h LYS 69 Cb 1.42 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1pyc h LYS 69 CO 0.13 1.27 -0.98 0.00 -1.08 0.00 0.00 179.45 178.78 1pyc h ARG 70 N 0.52 0.31 -3.94 3.15 2.47 -1.53 -3.49 114.38 111.88 1pyc h ARG 70 Ca -0.06 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1pyc h ARG 70 Cb 1.45 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.89 1pyc h ARG 70 CO 0.17 1.08 -0.10 1.17 0.56 0.00 0.00 179.97 182.85 1pyc n LYS 71 N -3.67 -0.75 -4.35 0.04 4.81 -0.70 -5.10 118.16 108.44 1pyc n LYS 71 Ca -0.06 1.03 -0.18 0.00 -0.87 0.00 0.00 58.31 58.23 1pyc n LYS 71 Cb 0.86 -3.21 -0.10 0.00 0.02 0.00 0.00 35.03 32.60 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 -2.33 1.22 -0.22 3.15 -7.23 -0.93 -5.05 120.40 109.02 1pyc s VAL 72 Ca 0.05 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 57.88 1pyc s VAL 72 Cb -0.01 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1pyc s VAL 72 CO 0.31 -0.36 0.95 -0.54 -0.31 0.00 0.00 175.10 175.15 1pyc s LYS 73 N -3.81 4.26 0.67 4.82 -0.14 -1.26 -4.72 119.74 119.55 1pyc s LYS 73 Ca 0.27 1.20 -0.11 0.00 -1.36 0.00 0.00 55.97 55.98 1pyc s LYS 73 Cb 0.05 -3.63 -0.01 0.00 -1.68 0.00 0.00 37.83 32.56 1pyc s LYS 73 CO 0.09 -0.54 1.06 0.00 -0.76 0.00 0.00 175.35 175.20 1pyc n ASP 75 N -2.94 3.12 -3.23 0.00 8.00 -1.26 -5.04 116.55 115.20 1pyc n ASP 75 Ca 0.07 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.36 1pyc n ASP 75 Cb 0.55 0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.76 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 -2.20 -6.98 -3.61 -1.24 5.02 -1.26 -5.02 118.16 102.87 1pyc n LYS 76 Ca 0.00 0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 56.68 1pyc n LYS 76 Cb 0.38 -5.49 -0.05 0.00 -0.02 0.00 0.00 35.03 29.85 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1pyc s LEU 77 N -6.52 4.34 0.44 -0.35 0.05 -1.26 -5.05 118.68 110.33 1pyc s LEU 77 Ca 0.48 0.74 -0.09 0.00 0.05 0.00 0.00 54.13 55.31 1pyc s LEU 77 Cb -0.21 -2.98 -0.06 0.00 -2.05 0.00 0.00 46.19 40.90 1pyc s LEU 77 CO 0.64 0.17 0.80 -0.13 -0.55 0.00 0.00 176.35 177.28 1pyc s ARG 78 N -1.96 3.71 -0.07 1.48 1.81 -1.26 -3.38 118.95 119.28 1pyc s ARG 78 Ca 0.33 0.43 -0.12 0.00 -1.72 0.00 0.00 55.73 54.65 1pyc s ARG 78 Cb -0.14 -2.36 -0.08 0.00 -0.45 0.00 0.00 34.95 31.92 1pyc s ARG 78 CO 0.18 -0.12 0.49 -1.35 -0.68 0.00 0.00 175.30 173.82 1pyc h PRO 79 N 0.89 -0.25 -6.26 3.54 0.11 -2.01 -3.46 132.00 124.57 1pyc h PRO 79 Ca -0.47 0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 1pyc h PRO 79 Cb 1.19 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1pyc h PRO 79 CO 0.63 -0.02 -0.20 -3.38 -0.21 0.00 0.00 178.00 174.83 1pyc s HIS 80 N -2.69 3.51 0.66 0.65 -3.43 -1.26 -5.02 115.29 107.73 1pyc s HIS 80 Ca -0.07 0.80 -0.10 0.00 -0.80 0.00 0.00 55.06 54.89 1pyc s HIS 80 Cb 0.00 -2.19 0.01 0.00 -1.43 0.00 0.00 32.58 28.97 1pyc s HIS 80 CO 0.24 0.41 1.03 0.00 -2.00 0.00 0.00 174.74 174.43 1pyc n GLN 82 N -2.86 0.19 0.25 0.00 6.02 -1.26 -1.60 117.38 118.11 1pyc n GLN 82 Ca 0.06 0.50 -0.11 0.00 -0.01 0.00 0.00 57.00 57.44 1pyc n GLN 82 Cb 0.57 -1.92 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 1pyc n GLN 82 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1pyc h GLN 83 N 0.00 -0.66 0.00 -1.09 5.75 -1.93 -3.28 115.11 113.90 1pyc h GLN 83 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1pyc h GLN 83 Cb 0.25 0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1pyc h GLN 83 CO 0.00 -0.43 0.00 0.00 -2.65 0.00 0.00 178.83 175.75 1pyc h THR 85 N 0.00 1.29 0.00 0.00 2.02 -1.41 -2.23 112.91 112.58 1pyc h THR 85 Ca 0.00 -1.54 -0.11 0.00 0.77 0.00 0.00 66.41 65.54 1pyc h THR 85 Cb 0.28 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1pyc h THR 85 CO 0.00 0.50 -0.71 0.11 0.37 0.00 0.00 175.52 175.79 1pyc h LYS 86 N 0.53 0.00 0.15 6.66 1.57 -1.48 -3.33 116.57 120.66 1pyc h LYS 86 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1pyc h LYS 86 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1pyc h LYS 86 CO 0.09 0.40 -0.07 1.15 -0.57 0.00 0.00 179.45 180.44 1pyc h THR 87 N 0.00 0.65 0.00 -0.16 2.02 -1.34 -3.48 112.91 110.59 1pyc h THR 87 Ca -0.04 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1pyc h THR 87 Cb 1.39 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1pyc h THR 87 CO 0.05 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.74 1pyc n GLY 88 N 0.95 1.98 1.63 2.16 0.00 -0.88 -4.97 105.19 106.05 1pyc n GLY 88 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.79 2.48 0.12 1.61 3.14 -1.09 -4.74 118.33 119.06 1pyc n VAL 89 Ca 0.00 -3.88 -0.03 0.00 -2.96 0.00 0.00 64.34 57.48 1pyc n VAL 89 Cb 0.00 -0.88 0.10 0.00 -1.06 0.00 0.00 33.84 32.00 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 1.82 0.81 -0.04 1.55 0.00 -1.79 0.36 119.26 121.97 1pyc h ALA 90 Ca 0.27 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1pyc h ALA 90 Cb 1.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1pyc h ALA 90 CO 0.57 0.89 -0.19 1.12 0.00 0.00 0.00 179.25 181.64 1pyc h HIS 91 N 0.00 0.06 -0.01 0.00 2.07 -1.87 -2.48 115.15 112.92 1pyc h HIS 91 Ca -0.01 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1pyc h HIS 91 Cb 1.27 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1pyc h HIS 91 CO 0.00 0.26 -0.05 1.28 -3.07 0.00 0.00 177.93 176.35 1pyc n LEU 92 N -4.28 1.25 -4.58 6.12 4.77 -0.05 -4.82 117.00 115.40 1pyc n LEU 92 Ca -0.02 -0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 1pyc n LEU 92 Cb 0.27 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1pyc n LEU 92 CO 0.37 0.21 1.07 0.00 -1.33 0.00 0.00 177.39 177.72 1pyc s HIS 94 N 4.87 -0.18 -0.14 0.00 3.76 -1.26 -4.91 115.29 117.42 1pyc s HIS 94 Ca 0.44 0.47 -0.23 0.00 -0.15 0.00 0.00 55.06 55.59 1pyc s HIS 94 Cb -0.07 0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.62 1pyc s HIS 94 CO 0.27 -0.12 0.70 0.71 -0.85 0.00 0.00 174.74 175.46 1pyc s TYR 95 N 0.43 3.46 0.05 1.40 2.02 -1.26 -3.10 117.35 120.35 1pyc s TYR 95 Ca -0.03 1.13 0.05 0.00 -0.37 0.00 0.00 57.07 57.85 1pyc s TYR 95 Cb -0.04 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.64 1pyc s TYR 95 CO -0.02 -0.09 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.08 1pyc s MET 96 N 1.54 0.98 0.36 -0.62 -1.94 -0.59 -4.97 119.30 114.08 1pyc s MET 96 Ca 0.34 -0.84 -0.24 0.00 -1.71 0.00 0.00 55.69 53.24 1pyc s MET 96 Cb -0.17 -1.02 -0.10 0.00 2.01 0.00 0.00 34.83 35.55 1pyc s MET 96 CO 0.14 0.25 0.95 -2.00 -0.01 0.00 0.00 175.02 174.34 1pyc s GLU 97 N -1.29 4.44 0.38 2.03 2.56 -1.26 -4.08 118.70 121.49 1pyc s GLU 97 Ca 0.02 1.25 0.23 0.00 0.00 0.00 0.00 54.97 56.47 1pyc s GLU 97 Cb -0.08 -2.56 0.34 0.00 2.00 0.00 0.00 34.13 33.83 1pyc s GLU 97 CO 0.02 0.16 1.55 -0.56 -0.56 0.00 0.00 175.26 175.86 1pyc h GLN 98 N 2.68 0.00 0.17 4.30 3.07 -1.93 -3.31 115.11 120.09 1pyc h GLN 98 Ca -0.48 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 57.95 1pyc h GLN 98 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.76 1pyc h GLN 98 CO 0.63 0.00 -1.52 1.79 0.09 0.00 0.00 178.83 179.82 1pyc h THR 99 N 0.00 1.06 0.00 1.86 1.35 -2.03 -3.55 112.91 111.61 1pyc h THR 99 Ca 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1pyc h THR 99 Cb 0.97 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1pyc h THR 99 CO 0.00 0.79 0.00 -2.67 -0.25 0.00 0.00 175.52 173.39