#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 4.71 0.47 9.51 0.02 -1.26 -5.00 135.00 143.45 1pyc s PRO 61 Ca 0.00 1.64 -0.12 0.00 0.02 0.00 0.00 61.00 62.54 1pyc s PRO 61 Cb 0.00 -3.26 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 1pyc s PRO 61 CO 0.00 0.28 0.87 -0.51 -0.33 0.00 0.00 177.00 177.31 1pyc s LEU 62 N -0.97 3.68 0.07 -5.54 1.43 -1.26 -5.05 118.68 111.04 1pyc s LEU 62 Ca 0.45 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.89 1pyc s LEU 62 Cb -0.29 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1pyc s LEU 62 CO 0.35 -0.53 -0.15 -0.55 0.23 0.00 0.00 176.35 175.71 1pyc s SER 63 N -3.33 1.78 0.75 2.29 0.15 -1.26 -4.86 113.70 109.23 1pyc s SER 63 Ca 0.54 -0.60 -0.07 0.00 0.70 0.00 0.00 55.95 56.51 1pyc s SER 63 Cb -0.10 -0.07 0.10 0.00 -1.71 0.00 0.00 66.02 64.24 1pyc s SER 63 CO 0.35 -0.04 1.06 0.00 1.20 0.00 0.00 173.24 175.81 1pyc h THR 65 N -0.77 0.77 0.03 0.00 1.35 -1.82 -1.93 112.91 110.53 1pyc h THR 65 Ca -0.43 -1.18 -0.36 0.00 -0.55 0.00 0.00 66.41 63.89 1pyc h THR 65 Cb 1.29 1.74 -0.05 0.00 -1.73 0.00 0.00 68.15 69.40 1pyc h THR 65 CO 0.53 0.28 -2.21 -0.38 -0.25 0.00 0.00 175.52 173.48 1pyc n ILE 66 N -3.57 1.55 0.22 6.82 5.41 -1.26 -3.60 119.36 124.92 1pyc n ILE 66 Ca -0.01 -0.71 0.10 0.00 1.00 0.00 0.00 62.75 63.13 1pyc n ILE 66 Cb 0.42 -1.16 0.44 0.00 -0.71 0.00 0.00 39.64 38.63 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 0.00 0.00 0.11 0.00 2.43 -1.52 -1.58 114.38 113.81 1pyc h ARG 68 Ca -0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1pyc h ARG 68 Cb 0.78 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1pyc h ARG 68 CO 0.03 0.32 -0.70 -0.22 -1.51 0.00 0.00 179.97 177.89 1pyc h LYS 69 N 0.00 0.29 0.06 0.20 3.64 -1.43 -3.32 116.57 116.01 1pyc h LYS 69 Ca -0.02 -0.45 -0.24 0.00 -1.27 0.00 0.00 60.65 58.67 1pyc h LYS 69 Cb 1.30 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1pyc h LYS 69 CO 0.04 1.19 -1.07 0.00 -2.27 0.00 0.00 179.45 177.35 1pyc h ARG 70 N -0.38 0.22 -3.58 1.90 2.47 -1.40 -3.48 114.38 110.12 1pyc h ARG 70 Ca -0.12 -0.32 -0.07 0.00 -1.26 0.00 0.00 59.98 58.21 1pyc h ARG 70 Cb 1.52 0.11 0.05 0.00 -1.65 0.00 0.00 29.97 30.01 1pyc h ARG 70 CO 0.13 1.10 -0.23 1.17 0.56 0.00 0.00 179.97 182.70 1pyc n LYS 71 N -3.56 -0.78 -4.16 0.04 3.00 -0.67 -5.09 118.16 106.95 1pyc n LYS 71 Ca -0.06 0.24 -0.24 0.00 -0.00 0.00 0.00 58.31 58.25 1pyc n LYS 71 Cb 0.93 -2.79 -0.07 0.00 0.00 0.00 0.00 35.03 33.10 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 -3.11 2.48 -0.14 3.15 -7.23 -0.77 -5.05 120.40 109.74 1pyc s VAL 72 Ca 0.11 -1.74 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 1pyc s VAL 72 Cb -0.01 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 1pyc s VAL 72 CO 0.20 -0.06 1.00 -0.75 -0.31 0.00 0.00 175.10 175.17 1pyc s LYS 73 N -3.86 4.38 0.83 4.82 2.20 -1.26 -4.61 119.74 122.22 1pyc s LYS 73 Ca 0.39 1.35 -0.11 0.00 -0.36 0.00 0.00 55.97 57.25 1pyc s LYS 73 Cb 0.02 -3.57 0.09 0.00 -1.51 0.00 0.00 37.83 32.86 1pyc s LYS 73 CO 0.22 -0.38 1.10 0.00 -0.36 0.00 0.00 175.35 175.93 1pyc n ASP 75 N -3.74 2.82 -1.36 0.00 8.00 -1.26 -5.04 116.55 115.97 1pyc n ASP 75 Ca 0.09 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.51 1pyc n ASP 75 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.40 -2.16 -3.13 -1.24 5.02 -1.26 -5.02 118.16 107.98 1pyc n LYS 76 Ca 0.00 0.30 -0.36 0.00 -2.02 0.00 0.00 58.31 56.23 1pyc n LYS 76 Cb 0.41 -3.82 -0.06 0.00 -0.02 0.00 0.00 35.03 31.54 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 -2.87 4.32 -0.06 -0.35 1.43 -1.26 -5.03 118.68 114.86 1pyc s LEU 77 Ca 0.15 1.38 -0.13 0.00 -1.03 0.00 0.00 54.13 54.49 1pyc s LEU 77 Cb -0.07 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 1pyc s LEU 77 CO 0.18 0.02 0.34 -0.13 0.23 0.00 0.00 176.35 176.99 1pyc s ARG 78 N -2.06 3.89 -0.07 1.70 3.00 -1.26 -3.15 118.95 120.99 1pyc s ARG 78 Ca 0.43 0.25 -0.24 0.00 0.00 0.00 0.00 55.73 56.17 1pyc s ARG 78 Cb -0.16 -3.26 -0.29 0.00 0.00 0.00 0.00 34.95 31.25 1pyc s ARG 78 CO 0.20 0.62 0.88 -1.00 0.00 0.00 0.00 175.30 176.00 1pyc h PRO 79 N 5.16 0.20 -6.08 3.54 0.13 -2.00 -3.48 132.00 129.46 1pyc h PRO 79 Ca -0.50 -0.31 -0.57 0.00 -0.87 0.00 0.00 66.00 63.74 1pyc h PRO 79 Cb 1.21 0.11 -0.10 0.00 0.13 0.00 0.00 31.00 32.36 1pyc h PRO 79 CO 0.64 1.13 -0.61 -3.38 -0.23 0.00 0.00 178.00 175.54 1pyc s HIS 80 N -2.47 2.61 1.03 1.56 -3.43 -1.19 -5.00 115.29 108.40 1pyc s HIS 80 Ca -0.15 -0.37 -0.16 0.00 -0.80 0.00 0.00 55.06 53.57 1pyc s HIS 80 Cb -0.00 -1.44 0.21 0.00 -1.43 0.00 0.00 32.58 29.92 1pyc s HIS 80 CO 0.78 0.48 1.21 0.00 -2.00 0.00 0.00 174.74 175.21 1pyc h GLN 82 N -1.91 0.00 0.42 0.00 4.20 -1.96 -0.74 115.11 115.13 1pyc h GLN 82 Ca -0.46 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 1pyc h GLN 82 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1pyc h GLN 82 CO 0.43 0.11 -0.20 0.37 -0.67 0.00 0.00 178.83 178.86 1pyc h GLN 83 N 0.00 -0.55 0.00 1.46 5.75 -1.93 -3.28 115.11 116.56 1pyc h GLN 83 Ca -0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1pyc h GLN 83 Cb 0.69 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1pyc h GLN 83 CO 0.01 -0.37 0.00 0.00 -2.65 0.00 0.00 178.83 175.83 1pyc h THR 85 N 0.00 0.99 0.00 0.00 2.02 -1.24 -2.26 112.91 112.42 1pyc h THR 85 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1pyc h THR 85 Cb 0.24 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1pyc h THR 85 CO 0.00 0.20 -0.25 0.11 0.37 0.00 0.00 175.52 175.96 1pyc h LYS 86 N -0.67 0.00 0.05 6.66 1.79 -1.50 -3.16 116.57 119.74 1pyc h LYS 86 Ca -0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1pyc h LYS 86 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1pyc h LYS 86 CO 0.03 0.00 -0.03 1.15 -1.08 0.00 0.00 179.45 179.53 1pyc h THR 87 N 0.00 0.74 -0.00 -0.16 2.02 -1.43 -3.49 112.91 110.59 1pyc h THR 87 Ca 0.00 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.75 1pyc h THR 87 Cb 0.96 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1pyc h THR 87 CO 0.00 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.74 1pyc n GLY 88 N 1.41 1.78 1.86 2.16 0.00 -0.88 -4.98 105.19 106.55 1pyc n GLY 88 Ca -0.05 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.89 2.63 0.13 1.61 3.14 -1.10 -4.71 118.33 119.14 1pyc n VAL 89 Ca 0.00 -3.87 -0.01 0.00 -2.96 0.00 0.00 64.34 57.49 1pyc n VAL 89 Cb 0.01 -1.00 0.21 0.00 -1.06 0.00 0.00 33.84 32.01 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 1.96 1.07 -0.02 1.55 0.00 -1.85 0.56 119.26 122.53 1pyc h ALA 90 Ca 0.35 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1pyc h ALA 90 Cb 1.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1pyc h ALA 90 CO 0.76 0.67 -0.21 1.12 0.00 0.00 0.00 179.25 181.59 1pyc h HIS 91 N 0.06 0.03 -0.04 0.00 2.07 -1.88 -2.41 115.15 112.98 1pyc h HIS 91 Ca -0.00 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1pyc h HIS 91 Cb 0.95 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1pyc h HIS 91 CO 0.01 0.24 0.00 1.28 -3.07 0.00 0.00 177.93 176.38 1pyc n LEU 92 N -4.28 1.48 -4.59 6.12 4.77 0.05 -4.80 117.00 115.74 1pyc n LEU 92 Ca -0.02 -0.52 -0.40 0.00 -0.03 0.00 0.00 56.01 55.04 1pyc n LEU 92 Cb 0.27 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1pyc n LEU 92 CO 0.37 0.26 0.23 0.00 -1.33 0.00 0.00 177.39 176.91 1pyc s HIS 94 N 2.33 -0.39 -0.06 0.00 3.76 -1.26 -4.95 115.29 114.72 1pyc s HIS 94 Ca 0.20 0.91 -0.20 0.00 -0.15 0.00 0.00 55.06 55.82 1pyc s HIS 94 Cb -0.15 0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.61 1pyc s HIS 94 CO 0.11 -0.23 0.57 0.71 -0.85 0.00 0.00 174.74 175.04 1pyc s TYR 95 N 0.93 3.60 0.14 1.40 1.51 -1.26 -2.84 117.35 120.83 1pyc s TYR 95 Ca -0.06 1.09 0.05 0.00 -1.01 0.00 0.00 57.07 57.14 1pyc s TYR 95 Cb -0.07 -2.62 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 1pyc s TYR 95 CO -0.07 0.24 -0.11 -1.64 -1.11 0.00 0.00 175.55 172.87 1pyc s MET 96 N 0.27 1.04 0.69 -0.62 -1.94 -1.22 -4.99 119.30 112.54 1pyc s MET 96 Ca 0.30 -1.40 -0.11 0.00 -1.71 0.00 0.00 55.69 52.77 1pyc s MET 96 Cb -0.17 -0.66 0.01 0.00 2.01 0.00 0.00 34.83 36.02 1pyc s MET 96 CO 0.15 0.09 1.06 -1.83 -0.01 0.00 0.00 175.02 174.48 1pyc s GLU 97 N -3.52 2.96 -0.54 2.03 -1.05 -1.26 -4.24 118.70 113.08 1pyc s GLU 97 Ca 0.15 0.80 -0.28 0.00 -0.15 0.00 0.00 54.97 55.49 1pyc s GLU 97 Cb 0.01 -2.00 0.02 0.00 -0.44 0.00 0.00 34.13 31.71 1pyc s GLU 97 CO 0.01 -1.04 1.37 -1.14 0.95 0.00 0.00 175.26 175.41 1pyc s GLN 98 N -5.13 3.39 -0.06 -4.83 0.74 -1.26 -4.97 119.66 107.54 1pyc s GLN 98 Ca 0.58 0.48 -0.27 0.00 0.05 0.00 0.00 55.36 56.20 1pyc s GLN 98 Cb -0.13 -4.09 -0.03 0.00 1.10 0.00 0.00 33.01 29.87 1pyc s GLN 98 CO 0.54 -1.83 0.89 -0.08 -0.55 0.00 0.00 175.29 174.26 1pyc s THR 99 N 5.74 4.91 -2.34 -0.34 -1.32 -1.26 -5.14 115.64 115.89 1pyc s THR 99 Ca 0.52 1.83 0.29 0.00 -1.21 0.00 0.00 61.69 63.12 1pyc s THR 99 Cb -0.10 -4.22 0.67 0.00 -1.51 0.00 0.00 72.50 67.34 1pyc s THR 99 CO 0.26 0.14 1.90 0.79 -2.21 0.00 0.00 174.62 175.51