#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dac s GLN 23 N 0.00 3.55 0.08 -0.78 -0.21 -1.26 -4.25 119.66 116.78 3dac s GLN 23 Ca 0.00 -0.08 0.04 0.00 0.02 0.00 0.00 55.36 55.34 3dac s GLN 23 Cb 0.00 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.85 3dac s GLN 23 CO 0.00 0.69 -0.12 0.14 -2.12 0.00 0.00 175.29 173.88 3dac s VAL 24 N -1.21 1.00 -0.30 1.09 -7.23 0.11 -1.53 120.40 112.33 3dac s VAL 24 Ca 0.24 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 3dac s VAL 24 Cb -0.13 -1.11 0.04 0.00 0.56 0.00 0.00 36.38 35.74 3dac s VAL 24 CO 0.13 -0.35 0.01 -2.28 -0.31 0.00 0.00 175.10 172.31 3dac s HIS 25 N -1.65 3.23 0.29 2.82 2.46 0.87 -0.86 115.29 122.46 3dac s HIS 25 Ca -0.01 -1.70 -0.29 0.00 0.47 0.00 0.00 55.06 53.54 3dac s HIS 25 Cb -0.08 -2.14 -0.10 0.00 -0.13 0.00 0.00 32.58 30.13 3dac s HIS 25 CO 0.02 -0.77 1.33 -2.14 -2.47 0.00 0.00 174.74 170.70 3dac s PRO 26 N 1.30 4.35 0.73 2.88 0.02 -1.26 -1.34 135.00 141.69 3dac s PRO 26 Ca -0.03 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 63.03 3dac s PRO 26 Cb -0.19 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.26 3dac s PRO 26 CO -0.01 -0.23 1.23 1.03 -0.33 0.00 0.00 177.00 178.70 3dac s ARG 27 N -1.24 2.11 0.25 5.54 0.52 0.63 -4.48 118.95 122.28 3dac s ARG 27 Ca 0.52 1.85 -0.07 0.00 -0.52 0.00 0.00 55.73 57.51 3dac s ARG 27 Cb -0.39 -1.82 0.45 0.00 0.52 0.00 0.00 34.95 33.71 3dac s ARG 27 CO 0.48 -1.88 1.62 0.00 0.02 0.00 0.00 175.30 175.54 3dac h ALA 28 N -0.22 0.77 -0.52 2.13 0.00 -1.94 -0.07 119.26 119.40 3dac h ALA 28 Ca -0.48 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3dac h ALA 28 Cb 1.31 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 3dac h ALA 28 CO 0.50 -0.44 -0.01 -1.35 0.00 0.00 0.00 179.25 177.95 3dac h PRO 29 N 0.07 0.89 -0.29 0.00 0.11 -1.97 0.13 132.00 130.94 3dac h PRO 29 Ca 0.43 -0.26 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 3dac h PRO 29 Cb 0.75 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3dac h PRO 29 CO -0.73 0.89 -0.33 1.25 -0.21 0.00 0.00 178.00 178.87 3dac h LEU 30 N 0.82 0.80 -1.12 2.35 5.85 -1.57 -3.05 115.31 119.38 3dac h LEU 30 Ca 0.15 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.45 3dac h LEU 30 Cb 0.51 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3dac h LEU 30 CO 0.03 1.12 0.60 0.25 -0.34 0.00 0.00 178.44 180.10 3dac h LEU 31 N 0.49 0.95 -0.33 2.25 5.85 -0.66 -1.56 115.31 122.29 3dac h LEU 31 Ca 0.04 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3dac h LEU 31 Cb 0.91 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3dac h LEU 31 CO 0.08 0.62 0.08 1.56 -0.34 0.00 0.00 178.44 180.44 3dac h GLN 32 N 1.08 0.20 -0.42 1.25 4.20 -0.92 -1.98 115.11 118.52 3dac h GLN 32 Ca 0.39 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3dac h GLN 32 Cb 0.15 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3dac h GLN 32 CO -0.14 0.13 0.27 0.82 -0.67 0.00 0.00 178.83 179.24 3dac h ILE 33 N 0.21 1.12 -0.32 2.54 2.04 -1.24 -1.96 117.51 119.90 3dac h ILE 33 Ca 0.16 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3dac h ILE 33 Cb 0.16 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3dac h ILE 33 CO -0.19 0.12 0.06 -0.07 0.00 0.00 0.00 178.15 178.07 3dac h LEU 34 N 0.56 0.44 -0.23 1.44 3.38 -1.08 -1.90 115.31 117.92 3dac h LEU 34 Ca 0.15 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 3dac h LEU 34 Cb -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dac h LEU 34 CO -0.03 0.46 -0.81 0.11 0.09 0.00 0.00 178.44 178.26 3dac h LYS 35 N 0.47 0.60 -0.63 1.13 1.57 -1.08 -0.95 116.57 117.67 3dac h LYS 35 Ca 0.11 -0.52 0.10 0.00 -1.87 0.00 0.00 60.65 58.47 3dac h LYS 35 Cb 0.21 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 3dac h LYS 35 CO -0.00 1.14 0.24 0.28 -0.57 0.00 0.00 179.45 180.54 3dac h VAL 36 N 0.40 0.76 0.00 0.50 2.07 -0.99 -1.31 116.25 117.68 3dac h VAL 36 Ca -0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3dac h VAL 36 Cb 1.42 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3dac h VAL 36 CO 0.15 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.82 3dac n ALA 37 N -2.47 2.25 0.00 1.67 0.00 -0.75 -4.84 120.51 116.37 3dac n ALA 37 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3dac n ALA 37 Cb 0.28 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3dac n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dac n GLY 38 N 0.28 0.62 3.73 0.00 0.00 -0.49 -4.77 105.19 104.55 3dac n GLY 38 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3dac n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dac s ALA 39 N -2.00 3.56 -0.91 4.61 0.00 -0.39 -4.91 121.76 121.72 3dac s ALA 39 Ca 0.00 1.13 0.18 0.00 0.00 0.00 0.00 51.96 53.27 3dac s ALA 39 Cb 0.00 -3.51 -0.19 0.00 0.00 0.00 0.00 23.12 19.42 3dac s ALA 39 CO 0.00 -0.58 0.79 1.04 0.00 0.00 0.00 175.76 177.00 3dac n GLN 40 N 3.18 0.96 -2.49 0.00 1.13 -1.26 -4.42 117.38 114.48 3dac n GLN 40 Ca 0.08 -0.04 -0.27 0.00 -1.94 0.00 0.00 57.00 54.84 3dac n GLN 40 Cb 0.42 -1.37 0.02 0.00 0.11 0.00 0.00 30.24 29.43 3dac n GLN 40 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dac s GLU 41 N -2.71 3.08 -0.14 -1.09 8.01 -1.26 -5.01 118.70 119.58 3dac s GLU 41 Ca 0.07 0.01 0.11 0.00 0.01 0.00 0.00 54.97 55.18 3dac s GLU 41 Cb 0.14 -2.32 -0.17 0.00 -4.31 0.00 0.00 34.13 27.47 3dac s GLU 41 CO 0.74 -0.55 0.02 0.39 0.01 0.00 0.00 175.26 175.88 3dac n GLU 42 N -2.47 1.54 -4.89 1.61 -0.58 -1.26 -4.98 120.64 109.61 3dac n GLU 42 Ca 0.03 0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.45 3dac n GLU 42 Cb 0.57 -1.36 -0.13 0.00 -0.57 0.00 0.00 31.44 29.95 3dac n GLU 42 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3dac s VAL 43 N -2.34 3.07 0.16 2.62 1.01 -1.26 -4.31 120.40 119.34 3dac s VAL 43 Ca -0.09 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3dac s VAL 43 Cb 0.04 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3dac s VAL 43 CO 0.56 0.59 -0.01 -0.36 0.00 0.00 0.00 175.10 175.87 3dac s PHE 44 N -0.69 1.15 0.41 5.22 0.08 -0.04 -4.94 117.98 119.17 3dac s PHE 44 Ca 0.11 -0.99 -0.05 0.00 0.12 0.00 0.00 56.93 56.11 3dac s PHE 44 Cb -0.11 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 3dac s PHE 44 CO 0.01 -0.19 0.70 0.95 -0.10 0.00 0.00 175.22 176.59 3dac s THR 45 N -3.64 4.93 0.29 0.64 -4.23 -1.26 0.08 115.64 112.45 3dac s THR 45 Ca 0.21 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3dac s THR 45 Cb 0.06 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.36 3dac s THR 45 CO 0.02 -0.63 1.90 0.58 -0.54 0.00 0.00 174.62 175.95 3dac h VAL 46 N 0.72 1.08 -0.66 2.29 2.07 -1.97 -0.95 116.25 118.83 3dac h VAL 46 Ca -0.48 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 66.75 3dac h VAL 46 Cb 1.20 -0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3dac h VAL 46 CO 0.63 0.20 0.33 0.50 0.02 0.00 0.00 177.57 179.24 3dac h LYS 47 N 1.09 0.56 -0.49 1.57 3.64 -1.94 0.36 116.57 121.36 3dac h LYS 47 Ca 0.40 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 3dac h LYS 47 Cb 0.18 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3dac h LYS 47 CO -0.15 0.37 -0.16 0.93 -2.27 0.00 0.00 179.45 178.17 3dac h GLU 48 N 0.57 0.95 -0.59 1.90 5.08 -1.73 -0.85 114.58 119.91 3dac h GLU 48 Ca 0.32 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3dac h GLU 48 Cb 0.31 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3dac h GLU 48 CO -0.25 1.03 0.32 0.28 -1.00 0.00 0.00 179.01 179.39 3dac h VAL 49 N 0.84 1.20 -0.69 3.13 2.07 -0.62 -1.19 116.25 120.98 3dac h VAL 49 Ca 0.12 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3dac h VAL 49 Cb 0.71 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3dac h VAL 49 CO 0.05 0.22 0.24 0.24 0.02 0.00 0.00 177.57 178.34 3dac h MET 50 N 0.81 1.05 -0.01 1.57 2.86 -0.72 -1.02 114.93 119.46 3dac h MET 50 Ca 0.21 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3dac h MET 50 Cb 0.06 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3dac h MET 50 CO -0.03 0.90 -0.18 1.25 1.06 0.00 0.00 176.91 179.90 3dac h HIS 51 N 0.99 -0.48 -0.07 -0.22 6.17 -0.81 -1.46 115.15 119.27 3dac h HIS 51 Ca 0.22 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.22 3dac h HIS 51 Cb 0.27 0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 3dac h HIS 51 CO 0.02 -0.26 -0.40 1.88 0.71 0.00 0.00 177.93 179.88 3dac h TYR 52 N -0.29 0.18 -0.50 5.26 0.05 -0.98 -0.40 116.97 120.29 3dac h TYR 52 Ca 0.06 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 3dac h TYR 52 Cb 0.37 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 3dac h TYR 52 CO -0.24 0.54 0.17 -0.07 -1.05 0.00 0.00 178.16 177.51 3dac h LEU 53 N 0.13 0.71 -0.57 3.88 3.38 -1.00 0.59 115.31 122.43 3dac h LEU 53 Ca 0.01 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3dac h LEU 53 Cb 0.77 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3dac h LEU 53 CO 0.06 0.71 0.30 1.23 0.09 0.00 0.00 178.44 180.83 3dac h GLY 54 N 0.66 0.82 1.00 0.83 0.00 -0.93 -1.35 103.07 104.11 3dac h GLY 54 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3dac h GLY 54 CO -0.01 0.12 0.33 1.46 0.00 0.00 0.00 176.54 178.44 3dac h GLN 55 N 0.56 0.65 -0.05 4.80 1.08 -0.70 -0.70 115.11 120.76 3dac h GLN 55 Ca 0.26 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3dac h GLN 55 Cb 0.16 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3dac h GLN 55 CO -0.17 0.43 0.03 -0.92 -0.95 0.00 0.00 178.83 177.25 3dac h TYR 56 N 0.67 0.07 -0.80 2.96 3.20 -0.57 0.27 116.97 122.77 3dac h TYR 56 Ca 0.18 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 3dac h TYR 56 Cb -0.07 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 3dac h TYR 56 CO -0.04 0.09 0.50 0.82 -1.64 0.00 0.00 178.16 177.89 3dac h ILE 57 N 0.02 1.22 -0.04 1.81 2.04 -1.08 -0.50 117.51 120.98 3dac h ILE 57 Ca 0.02 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3dac h ILE 57 Cb 0.04 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3dac h ILE 57 CO -0.00 0.22 -0.01 -0.03 0.00 0.00 0.00 178.15 178.33 3dac h MET 58 N 1.09 0.08 -0.96 2.37 4.05 -0.72 -0.94 114.93 119.90 3dac h MET 58 Ca 0.29 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 3dac h MET 58 Cb -0.07 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 3dac h MET 58 CO -0.06 0.43 0.63 0.52 0.23 0.00 0.00 176.91 178.67 3dac h MET 59 N -0.27 1.26 -0.01 0.39 2.86 -0.27 -2.06 114.93 116.84 3dac h MET 59 Ca 0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3dac h MET 59 Cb 0.40 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3dac h MET 59 CO 0.00 0.84 -0.15 1.63 1.06 0.00 0.00 176.91 180.29 3dac n LYS 60 N -4.41 0.98 -3.66 1.72 5.02 -0.21 -4.96 118.16 112.63 3dac n LYS 60 Ca 0.11 -0.51 -0.21 0.00 -2.02 0.00 0.00 58.31 55.69 3dac n LYS 60 Cb 0.01 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 3dac n LYS 60 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3dac n GLN 61 N -0.57 -5.21 0.14 1.97 6.02 -0.42 -4.91 117.38 114.40 3dac n GLN 61 Ca 0.15 0.66 0.08 0.00 -0.01 0.00 0.00 57.00 57.87 3dac n GLN 61 Cb 0.32 -5.30 0.05 0.00 1.02 0.00 0.00 30.24 26.34 3dac n GLN 61 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dac h LEU 62 N -1.88 0.00-10.01 1.08 3.38 -1.66 -3.46 115.31 102.75 3dac h LEU 62 Ca -0.61 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.83 3dac h LEU 62 Cb 1.36 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.21 3dac h LEU 62 CO 0.56 0.21 0.59 -0.72 0.09 0.00 0.00 178.44 179.16 3dac s TYR 63 N -3.15 2.55 0.23 1.13 -0.85 -1.26 -0.39 117.35 115.60 3dac s TYR 63 Ca 0.03 1.41 -0.31 0.00 -0.52 0.00 0.00 57.07 57.68 3dac s TYR 63 Cb 0.07 -3.68 -0.11 0.00 0.38 0.00 0.00 41.96 38.62 3dac s TYR 63 CO 0.74 -2.41 1.61 0.34 -1.52 0.00 0.00 175.55 174.31 3dac s ASP 64 N -0.97 6.46 0.39 -0.18 2.15 0.18 -4.83 116.67 119.87 3dac s ASP 64 Ca 0.66 2.81 0.09 0.00 0.43 0.00 0.00 52.55 56.54 3dac s ASP 64 Cb -0.37 -2.61 0.79 0.00 -0.30 0.00 0.00 42.92 40.43 3dac s ASP 64 CO 0.46 -0.88 1.93 0.11 -0.17 0.00 0.00 175.17 176.61 3dac h LYS 65 N 5.97 0.26 0.05 4.34 6.56 -1.92 -3.26 116.57 128.58 3dac h LYS 65 Ca -0.44 -0.05 -0.37 0.00 -1.06 0.00 0.00 60.65 58.72 3dac h LYS 65 Cb 1.21 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.79 3dac h LYS 65 CO 0.87 0.37 -2.10 1.04 -2.06 0.00 0.00 179.45 177.58 3dac n GLN 66 N -4.30 0.67 -3.89 3.15 3.00 -1.26 -4.71 117.38 110.04 3dac n GLN 66 Ca -0.00 0.28 -0.31 0.00 -0.01 0.00 0.00 57.00 56.96 3dac n GLN 66 Cb 0.25 -1.63 -0.13 0.00 0.00 0.00 0.00 30.24 28.73 3dac n GLN 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3dac s ARG 67 N -2.51 2.17 0.00 -1.09 0.52 -1.24 -4.98 118.95 111.82 3dac s ARG 67 Ca -0.30 -2.70 0.31 0.00 -0.52 0.00 0.00 55.73 52.52 3dac s ARG 67 Cb 0.08 -3.42 1.70 0.00 0.52 0.00 0.00 34.95 33.83 3dac s ARG 67 CO 0.65 -1.14 2.13 1.04 0.02 0.00 0.00 175.30 177.99 3dac n GLN 68 N 3.04 0.70 0.10 3.54 6.02 -1.23 -1.58 117.38 127.97 3dac n GLN 68 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.19 3dac n GLN 68 Cb 0.33 -1.50 0.45 0.00 1.02 0.00 0.00 30.24 30.55 3dac n GLN 68 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3dac n HIS 69 N -1.15 0.77 -3.26 1.08 1.44 -1.26 -4.66 115.22 108.19 3dac n HIS 69 Ca 0.19 0.26 -0.38 0.00 -2.01 0.00 0.00 57.72 55.78 3dac n HIS 69 Cb 0.18 -0.93 -0.06 0.00 0.12 0.00 0.00 29.99 29.30 3dac n HIS 69 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3dac s ILE 70 N -3.19 5.16 -0.21 0.61 -1.09 -0.61 -0.34 121.20 121.52 3dac s ILE 70 Ca 0.08 1.05 -0.01 0.00 -2.23 0.00 0.00 60.65 59.55 3dac s ILE 70 Cb 0.11 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 3dac s ILE 70 CO 0.48 0.31 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.68 3dac s VAL 71 N 0.70 2.55 -0.42 2.92 1.01 0.24 0.47 120.40 127.86 3dac s VAL 71 Ca 0.28 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 3dac s VAL 71 Cb -0.16 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.08 3dac s VAL 71 CO 0.12 0.42 0.54 -1.00 0.00 0.00 0.00 175.10 175.17 3dac s HIS 72 N 1.33 3.12 0.00 5.22 3.76 0.47 -1.62 115.29 127.57 3dac s HIS 72 Ca 0.04 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 3dac s HIS 72 Cb -0.14 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.44 3dac s HIS 72 CO -0.09 -0.77 0.95 0.00 -0.85 0.00 0.00 174.74 173.99 3dac n HIS 74 N -0.46 2.15 -2.96 0.00 1.44 -0.53 -2.22 115.22 112.64 3dac n HIS 74 Ca 0.00 0.43 -0.20 0.00 -2.01 0.00 0.00 57.72 55.93 3dac n HIS 74 Cb 0.23 -2.33 0.01 0.00 0.12 0.00 0.00 29.99 28.02 3dac n HIS 74 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3dac n ASP 75 N -1.17 -4.82 -3.94 4.39 8.00 -1.26 -4.96 116.55 112.78 3dac n ASP 75 Ca 0.12 -0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.31 3dac n ASP 75 Cb 0.45 -3.97 -0.12 0.00 -0.02 0.00 0.00 41.12 37.46 3dac n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dac s ASP 76 N -2.51 0.21 0.56 -2.24 2.15 -0.94 -5.05 116.67 108.85 3dac s ASP 76 Ca 0.25 -0.29 0.27 0.00 0.43 0.00 0.00 52.55 53.21 3dac s ASP 76 Cb -0.12 0.05 1.47 0.00 -0.30 0.00 0.00 42.92 44.02 3dac s ASP 76 CO 0.30 -0.16 1.97 -0.65 -0.17 0.00 0.00 175.17 176.47 3dac h PRO 77 N 5.29 0.00 -0.86 4.34 0.11 -1.94 -0.33 132.00 138.62 3dac h PRO 77 Ca -0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3dac h PRO 77 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3dac h PRO 77 CO 0.45 0.00 0.46 1.25 -0.21 0.00 0.00 178.00 179.95 3dac h LEU 78 N 0.00 1.08 -1.07 2.35 5.85 -1.97 -2.26 115.31 119.30 3dac h LEU 78 Ca 0.23 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3dac h LEU 78 Cb 1.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3dac h LEU 78 CO -0.00 0.87 0.55 1.23 -0.34 0.00 0.00 178.44 180.76 3dac h GLY 79 N 1.22 1.27 0.95 3.75 0.00 -0.88 -0.68 103.07 108.70 3dac h GLY 79 Ca 0.30 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3dac h GLY 79 CO -0.05 0.49 0.59 0.83 0.00 0.00 0.00 176.54 178.40 3dac h GLU 80 N 1.21 1.14 -0.34 4.80 3.07 -1.30 0.24 114.58 123.40 3dac h GLU 80 Ca 0.32 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.94 3dac h GLU 80 Cb -0.09 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 27.56 3dac h GLU 80 CO -0.06 0.75 -0.44 -0.07 -1.40 0.00 0.00 179.01 177.79 3dac h LEU 81 N 1.17 0.98 -0.60 1.33 3.38 -1.11 -3.22 115.31 117.25 3dac h LEU 81 Ca 0.34 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3dac h LEU 81 Cb -0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3dac h LEU 81 CO -0.09 1.28 -0.21 -0.07 0.09 0.00 0.00 178.44 179.44 3dac h LEU 82 N 0.71 0.00 0.78 1.67 3.38 -0.79 -3.45 115.31 117.61 3dac h LEU 82 Ca 0.04 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 3dac h LEU 82 Cb 1.04 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 3dac h LEU 82 CO 0.10 0.21 -0.31 -0.62 0.09 0.00 0.00 178.44 177.91 3dac n GLU 83 N -3.23 -1.22 -4.15 1.13 1.02 0.83 -4.93 120.64 110.09 3dac n GLU 83 Ca 0.02 1.08 -0.14 0.00 -0.02 0.00 0.00 57.16 58.09 3dac n GLU 83 Cb 0.51 -5.31 -0.11 0.00 -0.02 0.00 0.00 31.44 26.51 3dac n GLU 83 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3dac s VAL 84 N -2.57 0.84 -0.18 2.62 -7.23 -1.22 -5.05 120.40 107.61 3dac s VAL 84 Ca 0.00 -1.50 0.16 0.00 -1.81 0.00 0.00 61.98 58.84 3dac s VAL 84 Cb 0.00 -1.18 0.04 0.00 0.56 0.00 0.00 36.38 35.80 3dac s VAL 84 CO 0.00 -0.51 1.30 1.23 -0.31 0.00 0.00 175.10 176.81 3dac h GLY 85 N 3.81 0.00 -2.74 2.32 0.00 -1.91 -3.41 103.07 101.15 3dac h GLY 85 Ca -0.37 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3dac h GLY 85 CO 0.50 0.00 -0.01 -1.35 0.00 0.00 0.00 176.54 175.67 3dac s SER 86 N -6.22 -0.24 0.14 0.19 1.04 -1.26 -1.01 113.70 106.34 3dac s SER 86 Ca 0.02 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 3dac s SER 86 Cb 0.08 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.76 3dac s SER 86 CO 0.76 -1.00 0.37 0.72 0.98 0.00 0.00 173.24 175.07 3dac s PHE 87 N -3.86 -0.01 -0.16 5.02 -0.12 -0.64 -4.97 117.98 113.24 3dac s PHE 87 Ca 0.08 -0.34 -0.06 0.00 -0.05 0.00 0.00 56.93 56.56 3dac s PHE 87 Cb -0.00 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 3dac s PHE 87 CO -0.05 -0.72 0.06 0.45 -0.05 0.00 0.00 175.22 174.90 3dac s SER 88 N -2.86 5.61 0.60 1.98 0.15 -1.26 -0.60 113.70 117.32 3dac s SER 88 Ca 0.07 0.13 0.30 0.00 0.70 0.00 0.00 55.95 57.15 3dac s SER 88 Cb 0.02 -1.89 1.75 0.00 -1.71 0.00 0.00 66.02 64.20 3dac s SER 88 CO -0.08 0.24 2.16 0.58 1.20 0.00 0.00 173.24 177.34 3dac h VAL 89 N 4.66 0.45 -0.01 4.45 2.07 -1.06 -0.46 116.25 126.36 3dac h VAL 89 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3dac h VAL 89 Cb 1.18 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3dac h VAL 89 CO 0.66 0.00 -0.23 0.29 0.02 0.00 0.00 177.57 178.31 3dac n LYS 90 N -3.75 0.78 -3.09 1.57 5.02 -1.26 -4.01 118.16 113.42 3dac n LYS 90 Ca -0.00 -0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 55.64 3dac n LYS 90 Cb 0.24 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3dac n LYS 90 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dac n ASN 91 N -0.74 2.62 0.00 4.39 4.05 -0.19 -5.00 115.26 120.38 3dac n ASN 91 Ca 0.12 -3.32 0.12 0.00 0.45 0.00 0.00 54.58 51.95 3dac n ASN 91 Cb 0.33 -0.60 0.71 0.00 1.23 0.00 0.00 39.78 41.46 3dac n ASN 91 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3dac n PRO 92 N 0.14 0.81 -0.34 1.20 -0.04 -1.17 -4.35 135.00 131.26 3dac n PRO 92 Ca 0.28 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3dac n PRO 92 Cb 0.52 -1.46 0.32 0.00 -0.04 0.00 0.00 33.50 32.84 3dac n PRO 92 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dac h SER 93 N 0.00 0.70 -0.78 3.54 4.64 -1.95 0.16 113.55 119.86 3dac h SER 93 Ca 0.00 0.11 0.08 0.00 -0.47 0.00 0.00 61.79 61.51 3dac h SER 93 Cb 0.00 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 3dac h SER 93 CO 0.00 0.21 0.51 1.55 -0.87 0.00 0.00 176.83 178.23 3dac h PRO 94 N 0.68 0.76 0.02 4.77 0.13 -1.95 0.38 132.00 136.79 3dac h PRO 94 Ca 0.58 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.66 3dac h PRO 94 Cb 0.96 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3dac h PRO 94 CO -0.41 0.50 -0.01 1.25 -0.23 0.00 0.00 178.00 179.10 3dac h LEU 95 N 0.78 -0.03 -0.64 1.56 5.85 -1.04 -0.93 115.31 120.87 3dac h LEU 95 Ca 0.35 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3dac h LEU 95 Cb 0.35 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3dac h LEU 95 CO -0.13 0.05 0.05 1.88 -0.34 0.00 0.00 178.44 179.95 3dac h TYR 96 N -0.10 1.19 -0.51 1.25 0.99 -0.74 -1.10 116.97 117.95 3dac h TYR 96 Ca -0.00 -0.19 -0.07 0.00 2.00 0.00 0.00 58.73 60.47 3dac h TYR 96 Cb 0.09 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.49 3dac h TYR 96 CO -0.05 1.02 0.03 0.93 -0.00 0.00 0.00 178.16 180.08 3dac h GLU 97 N 1.01 0.84 -0.42 4.88 3.07 -0.25 -1.04 114.58 122.66 3dac h GLU 97 Ca 0.19 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3dac h GLU 97 Cb 0.51 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3dac h GLU 97 CO 0.02 0.82 0.23 1.98 -1.40 0.00 0.00 179.01 180.66 3dac h MET 98 N 0.78 0.59 -0.78 2.33 1.85 -0.73 -2.29 114.93 116.68 3dac h MET 98 Ca 0.15 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.14 3dac h MET 98 Cb 0.43 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.31 3dac h MET 98 CO 0.02 0.48 0.36 -0.07 -0.40 0.00 0.00 176.91 177.29 3dac h LEU 99 N 0.55 1.03 -0.94 3.39 3.38 -0.91 -0.88 115.31 120.93 3dac h LEU 99 Ca 0.15 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3dac h LEU 99 Cb 0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3dac h LEU 99 CO -0.02 0.89 0.61 0.11 0.09 0.00 0.00 178.44 180.11 3dac h LYS 100 N 1.12 1.10 0.00 1.13 1.57 -0.92 -0.53 116.57 120.04 3dac h LYS 100 Ca 0.27 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3dac h LYS 100 Cb 0.14 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3dac h LYS 100 CO -0.03 0.73 -0.21 0.00 -0.57 0.00 0.00 179.45 179.36 3dac h ARG 101 N 1.13 0.00 -0.03 3.15 3.08 -0.84 -3.37 114.38 117.49 3dac h ARG 101 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3dac h ARG 101 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3dac h ARG 101 CO -0.15 0.21 0.00 0.09 -1.07 0.00 0.00 179.97 179.05 3dac n ASN 102 N -3.24 1.69 -4.15 7.04 3.02 -0.39 -4.94 115.26 114.28 3dac n ASN 102 Ca 0.02 -1.56 -0.33 0.00 -0.03 0.00 0.00 54.58 52.67 3dac n ASN 102 Cb 0.51 -0.02 -0.16 0.00 -0.61 0.00 0.00 39.78 39.50 3dac n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dac s LEU 103 N -0.60 2.34 -0.22 3.41 1.43 -0.27 -0.27 118.68 124.50 3dac s LEU 103 Ca 0.03 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 3dac s LEU 103 Cb 0.02 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 3dac s LEU 103 CO 0.03 -0.01 0.45 -0.69 0.23 0.00 0.00 176.35 176.35 3dac s VAL 104 N 1.32 5.14 0.09 -1.59 1.01 -0.45 -4.90 120.40 121.02 3dac s VAL 104 Ca 0.04 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3dac s VAL 104 Cb -0.14 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3dac s VAL 104 CO -0.11 0.18 1.13 -0.63 0.00 0.00 0.00 175.10 175.68 3dac s ILE 105 N 1.74 4.10 -2.04 2.22 -1.09 -1.26 -0.09 121.20 124.78 3dac s ILE 105 Ca 0.20 1.60 0.32 0.00 -2.23 0.00 0.00 60.65 60.54 3dac s ILE 105 Cb -0.15 -4.02 0.88 0.00 -1.58 0.00 0.00 42.46 37.58 3dac s ILE 105 CO 0.09 0.17 2.19 0.18 -1.23 0.00 0.00 174.94 176.34