#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 4.46 0.28 0.38 0.02 -1.26 -4.88 135.00 134.00 1pyc s PRO 61 Ca 0.00 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1pyc s PRO 61 Cb 0.00 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1pyc s PRO 61 CO 0.00 -0.20 0.00 1.28 -0.33 0.00 0.00 177.00 177.75 1pyc n LEU 62 N 3.78 -0.48 -3.50 -5.54 4.77 -1.26 -4.71 117.00 110.06 1pyc n LEU 62 Ca 0.08 1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 57.08 1pyc n LEU 62 Cb 0.47 -1.67 -0.03 0.00 -2.33 0.00 0.00 43.42 39.86 1pyc n LEU 62 CO 0.55 -1.14 0.63 -0.55 -1.33 0.00 0.00 177.39 175.56 1pyc s SER 63 N -5.71 -0.42 0.99 -1.43 0.15 -1.25 -4.00 113.70 102.04 1pyc s SER 63 Ca 0.00 0.08 -0.14 0.00 0.70 0.00 0.00 55.95 56.59 1pyc s SER 63 Cb 0.00 0.42 0.19 0.00 -1.71 0.00 0.00 66.02 64.92 1pyc s SER 63 CO 0.00 -0.65 1.11 0.00 1.20 0.00 0.00 173.24 174.90 1pyc h THR 65 N -1.62 1.30 0.05 0.00 1.35 -1.62 -1.78 112.91 110.60 1pyc h THR 65 Ca -0.36 -1.92 -0.30 0.00 -0.55 0.00 0.00 66.41 63.29 1pyc h THR 65 Cb 0.99 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 69.26 1pyc h THR 65 CO 0.25 0.60 -1.61 0.40 -0.25 0.00 0.00 175.52 174.92 1pyc h ILE 66 N 0.50 1.01 0.00 6.82 2.04 -1.85 -3.37 117.51 122.66 1pyc h ILE 66 Ca -0.02 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.07 1pyc h ILE 66 Cb 1.27 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1pyc h ILE 66 CO 0.13 0.71 0.00 0.00 0.00 0.00 0.00 178.15 179.00 1pyc h ARG 68 N 0.00 0.16 -0.23 0.00 9.65 -1.49 -1.62 114.38 120.84 1pyc h ARG 68 Ca 0.00 -0.20 -0.16 0.00 -1.10 0.00 0.00 59.98 58.52 1pyc h ARG 68 Cb 0.66 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1pyc h ARG 68 CO 0.00 1.00 -0.47 0.87 2.80 0.00 0.00 179.97 184.17 1pyc h LYS 69 N 0.07 0.72 0.06 0.20 1.57 -1.48 -3.22 116.57 114.49 1pyc h LYS 69 Ca -0.05 -0.47 -0.24 0.00 -1.87 0.00 0.00 60.65 58.02 1pyc h LYS 69 Cb 1.63 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.00 1pyc h LYS 69 CO 0.14 1.10 -1.08 0.00 -0.57 0.00 0.00 179.45 179.04 1pyc h ARG 70 N 0.44 0.20 -3.65 3.15 2.47 -1.51 -3.48 114.38 111.99 1pyc h ARG 70 Ca 0.01 -0.30 -0.09 0.00 -1.26 0.00 0.00 59.98 58.33 1pyc h ARG 70 Cb 1.08 0.10 0.07 0.00 -1.65 0.00 0.00 29.97 29.57 1pyc h ARG 70 CO 0.10 1.10 -0.29 1.17 0.56 0.00 0.00 179.97 182.62 1pyc n LYS 71 N -3.54 -1.26 -3.58 0.04 3.00 -0.65 -5.08 118.16 107.10 1pyc n LYS 71 Ca -0.05 0.30 -0.20 0.00 -0.00 0.00 0.00 58.31 58.36 1pyc n LYS 71 Cb 0.94 -3.21 -0.02 0.00 0.00 0.00 0.00 35.03 32.74 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 -3.13 3.75 -0.59 3.15 -7.23 -0.98 -5.04 120.40 110.32 1pyc s VAL 72 Ca 0.11 -1.15 -0.27 0.00 -1.81 0.00 0.00 61.98 58.85 1pyc s VAL 72 Cb -0.01 -3.28 0.03 0.00 0.56 0.00 0.00 36.38 33.67 1pyc s VAL 72 CO 0.25 -0.15 1.15 -0.75 -0.31 0.00 0.00 175.10 175.30 1pyc s LYS 73 N -4.11 3.44 0.46 4.82 2.47 -1.26 -4.77 119.74 120.79 1pyc s LYS 73 Ca 0.44 0.08 0.04 0.00 -1.56 0.00 0.00 55.97 54.98 1pyc s LYS 73 Cb -0.08 -4.04 -0.04 0.00 -1.46 0.00 0.00 37.83 32.21 1pyc s LYS 73 CO 0.29 -1.70 0.07 0.00 0.16 0.00 0.00 175.35 174.17 1pyc n ASP 75 N -1.20 0.00 0.00 0.00 8.00 -1.26 -4.72 116.55 117.37 1pyc n ASP 75 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1pyc n ASP 75 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1pyc n ASP 75 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pyc n LYS 76 N -0.68 0.00 -1.54 -1.24 3.00 -1.26 -3.83 118.16 112.61 1pyc n LYS 76 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.31 57.81 1pyc n LYS 76 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1pyc n LYS 76 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1pyc n LEU 77 N 0.00 0.94 -4.84 3.14 -0.00 -1.26 -4.88 117.00 110.10 1pyc n LEU 77 Ca 0.00 1.14 -0.32 0.00 -0.00 0.00 0.00 56.01 56.83 1pyc n LEU 77 Cb 0.00 -1.14 -0.04 0.00 -0.00 0.00 0.00 43.42 42.24 1pyc n LEU 77 CO 0.00 -1.60 0.66 -0.13 -0.00 0.00 0.00 177.39 176.31 1pyc s ARG 78 N -0.39 3.99 -0.03 1.47 1.81 -1.26 -3.70 118.95 120.84 1pyc s ARG 78 Ca 0.75 0.95 -0.07 0.00 -1.72 0.00 0.00 55.73 55.64 1pyc s ARG 78 Cb -0.93 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 31.37 1pyc s ARG 78 CO 0.53 -0.20 0.41 -1.00 -0.68 0.00 0.00 175.30 174.36 1pyc h PRO 79 N 1.15 -0.24 -6.65 3.54 0.13 -2.06 -3.47 132.00 124.41 1pyc h PRO 79 Ca -0.47 0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 1pyc h PRO 79 Cb 1.18 0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.40 1pyc h PRO 79 CO 0.62 -0.16 -0.14 -1.01 -0.23 0.00 0.00 178.00 177.08 1pyc s HIS 80 N -2.38 2.97 0.85 1.56 3.76 -1.25 -5.05 115.29 115.74 1pyc s HIS 80 Ca -0.04 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.68 1pyc s HIS 80 Cb 0.00 -2.46 0.11 0.00 1.11 0.00 0.00 32.58 31.35 1pyc s HIS 80 CO 0.11 -0.53 1.21 0.00 -0.85 0.00 0.00 174.74 174.68 1pyc h GLN 82 N -1.20 0.30 0.12 0.00 1.08 -1.92 -0.93 115.11 112.56 1pyc h GLN 82 Ca -0.45 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 1pyc h GLN 82 Cb 1.30 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1pyc h GLN 82 CO 0.57 0.20 -0.06 1.96 -0.95 0.00 0.00 178.83 180.55 1pyc h GLN 83 N 0.31 -0.16 -0.00 1.46 1.08 -1.92 -3.35 115.11 112.53 1pyc h GLN 83 Ca 0.28 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1pyc h GLN 83 Cb 0.67 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1pyc h GLN 83 CO -0.07 0.13 -0.06 0.00 -0.95 0.00 0.00 178.83 177.88 1pyc h THR 85 N 0.04 1.36 -0.18 0.00 2.02 -1.36 -0.12 112.91 114.68 1pyc h THR 85 Ca 0.00 -2.32 -0.20 0.00 0.77 0.00 0.00 66.41 64.66 1pyc h THR 85 Cb 0.45 2.32 0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1pyc h THR 85 CO 0.00 0.70 -0.66 0.11 0.37 0.00 0.00 175.52 176.04 1pyc h LYS 86 N 0.30 0.76 0.00 6.66 1.57 -1.60 -3.23 116.57 121.03 1pyc h LYS 86 Ca -0.08 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1pyc h LYS 86 Cb 1.54 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1pyc h LYS 86 CO 0.16 1.20 -1.36 -2.37 -0.57 0.00 0.00 179.45 176.51 1pyc n THR 87 N -4.02 0.34 -0.84 -0.16 5.66 -0.86 -4.96 114.28 109.43 1pyc n THR 87 Ca -0.07 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 1pyc n THR 87 Cb 0.68 -0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 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 1.24 1.05 2.12 1.09 0.00 -0.65 -4.99 105.19 105.05 1pyc n GLY 88 Ca -0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.03 3.05 0.16 1.61 0.24 -0.15 -4.62 118.33 117.60 1pyc n VAL 89 Ca 0.00 -3.52 0.04 0.00 -2.04 0.00 0.00 64.34 58.83 1pyc n VAL 89 Cb 0.17 -1.10 0.16 0.00 -1.47 0.00 0.00 33.84 31.61 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 2.02 0.80 -0.54 2.33 0.00 -1.80 -0.11 119.26 121.95 1pyc h ALA 90 Ca 0.48 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pyc h ALA 90 Cb 1.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1pyc h ALA 90 CO 1.13 0.53 0.29 1.12 0.00 0.00 0.00 179.25 182.33 1pyc h HIS 91 N 0.00 0.75 -0.00 0.00 2.07 -1.91 -2.35 115.15 113.71 1pyc h HIS 91 Ca -0.00 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 1pyc h HIS 91 Cb 1.18 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.92 1pyc h HIS 91 CO 0.00 0.55 -0.11 1.28 -3.07 0.00 0.00 177.93 176.59 1pyc n LEU 92 N -4.61 0.51 -3.45 6.12 4.77 -0.73 -4.72 117.00 114.88 1pyc n LEU 92 Ca 0.03 -0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1pyc n LEU 92 Cb 0.09 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1pyc n LEU 92 CO 0.37 0.09 -0.30 0.00 -1.33 0.00 0.00 177.39 176.22 1pyc s HIS 94 N 1.11 2.51 0.64 0.00 3.76 -1.26 -4.60 115.29 117.46 1pyc s HIS 94 Ca 0.18 -0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 54.74 1pyc s HIS 94 Cb -0.22 -1.12 0.01 0.00 1.11 0.00 0.00 32.58 32.36 1pyc s HIS 94 CO 0.01 0.64 0.99 0.71 -0.85 0.00 0.00 174.74 176.24 1pyc s TYR 95 N -2.30 3.30 -0.67 1.40 2.02 -1.26 -1.57 117.35 118.27 1pyc s TYR 95 Ca 0.30 0.84 -0.27 0.00 -0.37 0.00 0.00 57.07 57.57 1pyc s TYR 95 Cb -0.06 -2.87 0.04 0.00 -0.40 0.00 0.00 41.96 38.66 1pyc s TYR 95 CO 0.17 -0.97 1.20 -1.64 -1.57 0.00 0.00 175.55 172.74 1pyc s MET 96 N -5.15 3.28 0.22 -0.62 -1.94 -1.26 -4.90 119.30 108.93 1pyc s MET 96 Ca 0.56 -0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.45 1pyc s MET 96 Cb -0.11 -4.13 -0.04 0.00 2.01 0.00 0.00 34.83 32.56 1pyc s MET 96 CO 0.48 -1.93 0.05 -1.21 -0.01 0.00 0.00 175.02 172.40 1pyc s GLU 97 N 5.21 2.50 0.05 2.03 0.41 -1.26 -5.03 118.70 122.61 1pyc s GLU 97 Ca 0.35 -1.19 0.21 0.00 -0.41 0.00 0.00 54.97 53.93 1pyc s GLU 97 Cb -0.09 -2.35 -0.19 0.00 -1.78 0.00 0.00 34.13 29.72 1pyc s GLU 97 CO 0.18 0.41 0.68 1.04 -0.49 0.00 0.00 175.26 177.08 1pyc n GLN 98 N -0.63 0.64 0.09 1.61 6.02 -1.26 -4.13 117.38 119.72 1pyc n GLN 98 Ca -0.08 -0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.76 1pyc n GLN 98 Cb 0.57 -1.67 -0.14 0.00 1.02 0.00 0.00 30.24 30.02 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 0.00 1.48 0.00 5.09 1.03 -2.01 -3.57 112.91 114.93 1pyc h THR 99 Ca -0.08 -3.08 0.00 0.00 -0.01 0.00 0.00 66.41 63.24 1pyc h THR 99 Cb 1.22 2.90 0.00 0.00 -1.07 0.00 0.00 68.15 71.20 1pyc h THR 99 CO 0.01 0.89 0.00 0.79 -0.01 0.00 0.00 175.52 177.20