#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fav h PHE 8 N 0.00 0.57 -0.85 1.20 3.57 -2.02 -1.14 116.94 118.26 3fav h PHE 8 Ca 0.00 -0.27 0.22 0.00 3.53 0.00 0.00 57.97 61.44 3fav h PHE 8 Cb 0.00 -0.08 -0.15 0.00 2.79 0.00 0.00 35.95 38.51 3fav h PHE 8 CO 0.00 1.06 0.08 0.00 -2.23 0.00 0.00 178.31 177.22 3fav h ALA 9 N 0.39 1.03 -0.01 2.41 0.00 -2.04 -2.12 119.26 118.91 3fav h ALA 9 Ca -0.05 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3fav h ALA 9 Cb 1.15 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 3fav h ALA 9 CO 0.10 -0.47 -0.49 0.78 0.00 0.00 0.00 179.25 179.17 3fav h GLY 10 N 0.11 -1.16 -0.12 0.00 0.00 -1.94 0.26 103.07 100.23 3fav h GLY 10 Ca 0.50 0.66 0.12 0.00 0.00 0.00 0.00 47.33 48.61 3fav h GLY 10 CO -0.73 -0.26 -0.09 -2.22 0.00 0.00 0.00 176.54 173.24 3fav h ILE 11 N -0.60 0.45 -0.08 2.60 1.08 -1.15 -0.66 117.51 119.15 3fav h ILE 11 Ca 0.01 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3fav h ILE 11 Cb 0.65 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3fav h ILE 11 CO -0.33 0.01 0.04 -0.08 -0.69 0.00 0.00 178.15 177.10 3fav h GLU 12 N 0.04 0.11 -0.91 2.37 4.81 -1.01 -0.27 114.58 119.72 3fav h GLU 12 Ca 0.29 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.61 3fav h GLU 12 Cb 0.46 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 3fav h GLU 12 CO -0.57 0.15 0.55 0.00 -0.73 0.00 0.00 179.01 178.41 3fav h ALA 13 N 0.96 1.32 -0.08 2.92 0.00 -0.63 -0.51 119.26 123.24 3fav h ALA 13 Ca 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fav h ALA 13 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3fav h ALA 13 CO -0.00 0.20 0.05 0.00 0.00 0.00 0.00 179.25 179.49 3fav h ALA 14 N 1.48 0.11 -0.66 0.00 0.00 -0.68 -1.48 119.26 118.02 3fav h ALA 14 Ca 0.43 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.37 3fav h ALA 14 Cb 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3fav h ALA 14 CO -0.24 -0.37 0.36 0.00 0.00 0.00 0.00 179.25 179.00 3fav h ALA 15 N 0.97 0.88 -0.60 0.00 0.00 -0.64 -1.59 119.26 118.28 3fav h ALA 15 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3fav h ALA 15 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fav h ALA 15 CO -0.01 0.02 -0.02 1.03 0.00 0.00 0.00 179.25 180.28 3fav h SER 16 N 0.66 1.05 -0.43 0.00 0.87 -1.01 -2.09 113.55 112.59 3fav h SER 16 Ca 0.30 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3fav h SER 16 Cb 0.20 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3fav h SER 16 CO -0.19 1.11 0.22 0.00 -0.53 0.00 0.00 176.83 177.44 3fav h ALA 17 N 0.99 0.56 -0.91 6.23 0.00 -0.99 -1.71 119.26 123.42 3fav h ALA 17 Ca 0.17 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3fav h ALA 17 Cb 0.59 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3fav h ALA 17 CO 0.03 0.10 0.58 0.82 0.00 0.00 0.00 179.25 180.78 3fav h ILE 18 N 0.56 1.06 -0.23 0.00 2.04 -1.18 -0.94 117.51 118.83 3fav h ILE 18 Ca 0.15 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3fav h ILE 18 Cb 0.09 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3fav h ILE 18 CO -0.02 0.19 -0.33 -0.61 0.00 0.00 0.00 178.15 177.38 3fav h GLN 19 N 1.05 0.49 -0.66 2.37 5.75 -1.12 -0.56 115.11 122.43 3fav h GLN 19 Ca 0.39 -0.21 0.12 0.00 -0.15 0.00 0.00 58.65 58.80 3fav h GLN 19 Cb 0.16 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.61 3fav h GLN 19 CO -0.17 0.76 0.21 0.78 -2.65 0.00 0.00 178.83 177.76 3fav h GLY 20 N 1.07 0.91 1.02 2.39 0.00 -0.61 -2.51 103.07 105.34 3fav h GLY 20 Ca 0.05 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.32 3fav h GLY 20 CO 0.06 -0.09 0.59 3.43 0.00 0.00 0.00 176.54 180.54 3fav h ASN 21 N 0.36 0.98 0.18 0.19 -0.26 -0.01 -1.67 115.58 115.36 3fav h ASN 21 Ca 0.35 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.07 3fav h ASN 21 Cb 0.50 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3fav h ASN 21 CO -0.38 0.68 -0.10 0.58 -1.06 0.00 0.00 177.43 177.14 3fav h VAL 22 N 1.14 0.79 -0.32 2.81 2.07 -0.82 -0.97 116.25 120.95 3fav h VAL 22 Ca 0.35 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.87 3fav h VAL 22 Cb -0.01 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3fav h VAL 22 CO -0.10 0.00 0.19 0.74 0.02 0.00 0.00 177.57 178.42 3fav h THR 23 N -0.27 1.11 -0.27 2.57 2.02 -1.39 -2.35 112.91 114.34 3fav h THR 23 Ca -0.02 -0.26 -0.17 0.00 0.77 0.00 0.00 66.41 66.73 3fav h THR 23 Cb 0.22 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3fav h THR 23 CO 0.03 0.11 -0.51 -1.28 0.37 0.00 0.00 175.52 174.24 3fav h SER 24 N 0.41 0.83 -0.41 4.18 0.87 -1.17 -2.35 113.55 115.91 3fav h SER 24 Ca 0.11 -0.43 -0.05 0.00 -1.23 0.00 0.00 61.79 60.20 3fav h SER 24 Cb 0.01 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3fav h SER 24 CO -0.02 1.19 0.07 0.40 -0.53 0.00 0.00 176.83 177.94 3fav h ILE 25 N 0.59 1.24 -0.34 2.23 2.04 -1.18 -1.01 117.51 121.09 3fav h ILE 25 Ca 0.02 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.10 3fav h ILE 25 Cb 1.08 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 3fav h ILE 25 CO 0.11 0.29 -0.09 -0.74 0.00 0.00 0.00 178.15 177.72 3fav h HIS 26 N 0.52 -0.19 -0.83 1.37 2.76 -1.21 -0.58 115.15 117.00 3fav h HIS 26 Ca 0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 3fav h HIS 26 Cb 0.36 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 3fav h HIS 26 CO 0.02 -0.15 0.41 1.03 -1.30 0.00 0.00 177.93 177.95 3fav h SER 27 N -0.01 1.08 -0.05 3.26 0.87 -1.31 -2.12 113.55 115.27 3fav h SER 27 Ca 0.16 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 3fav h SER 27 Cb 0.25 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3fav h SER 27 CO -0.35 0.90 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.50 3fav h LEU 28 N 1.17 0.50 -0.53 2.23 3.38 -0.50 -2.02 115.31 119.54 3fav h LEU 28 Ca 0.29 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3fav h LEU 28 Cb 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3fav h LEU 28 CO -0.04 0.77 0.06 -0.07 0.09 0.00 0.00 178.44 179.25 3fav h LEU 29 N 0.43 0.86 -0.40 1.67 3.38 -0.91 0.17 115.31 120.51 3fav h LEU 29 Ca 0.06 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3fav h LEU 29 Cb 0.71 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3fav h LEU 29 CO 0.05 0.92 0.26 0.44 0.09 0.00 0.00 178.44 180.20 3fav h ASP 30 N 0.77 0.44 -0.64 -0.43 3.32 -1.18 -1.42 116.42 117.29 3fav h ASP 30 Ca 0.16 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3fav h ASP 30 Cb 0.44 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 3fav h ASP 30 CO 0.01 0.32 0.34 -0.33 -1.72 0.00 0.00 179.24 177.86 3fav h GLU 31 N 0.53 0.60 -0.96 3.56 5.08 -1.20 -2.67 114.58 119.52 3fav h GLU 31 Ca 0.15 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3fav h GLU 31 Cb -0.05 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 3fav h GLU 31 CO -0.04 0.40 0.64 0.78 -1.00 0.00 0.00 179.01 179.78 3fav h GLY 32 N 0.62 1.36 1.35 -3.84 0.00 -0.48 -1.55 103.07 100.53 3fav h GLY 32 Ca 0.29 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 3fav h GLY 32 CO -0.20 0.48 -0.24 1.70 0.00 0.00 0.00 176.54 178.28 3fav h LYS 33 N 1.29 0.74 -0.46 4.80 3.64 -1.01 -2.48 116.57 123.09 3fav h LYS 33 Ca 0.36 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3fav h LYS 33 Cb -0.13 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3fav h LYS 33 CO -0.08 0.91 0.12 1.96 -2.27 0.00 0.00 179.45 180.09 3fav h GLN 34 N 0.64 0.73 -0.99 1.90 1.08 -1.19 -2.84 115.11 114.45 3fav h GLN 34 Ca 0.09 -0.17 0.19 0.00 -1.45 0.00 0.00 58.65 57.30 3fav h GLN 34 Cb 0.75 -0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.98 3fav h GLN 34 CO 0.06 0.72 0.61 1.03 -0.95 0.00 0.00 178.83 180.30 3fav h SER 35 N 0.62 0.74 -0.97 1.46 0.87 -0.91 -2.46 113.55 112.90 3fav h SER 35 Ca 0.15 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.90 3fav h SER 35 Cb 0.30 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 3fav h SER 35 CO -0.00 0.28 0.62 -0.07 -0.53 0.00 0.00 176.83 177.13 3fav h LEU 36 N 0.73 0.90 -0.54 2.23 3.38 -1.20 -0.61 115.31 120.21 3fav h LEU 36 Ca 0.55 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.64 3fav h LEU 36 Cb 0.90 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 3fav h LEU 36 CO -0.34 0.51 0.17 0.74 0.09 0.00 0.00 178.44 179.61 3fav h THR 37 N 0.98 0.76 0.00 0.22 2.02 -1.51 -1.43 112.91 113.96 3fav h THR 37 Ca 0.46 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3fav h THR 37 Cb 0.43 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3fav h THR 37 CO -0.22 0.06 0.00 0.11 0.37 0.00 0.00 175.52 175.84 3fav h LYS 38 N 0.33 0.00 -0.42 6.66 1.79 -1.21 -3.15 116.57 120.56 3fav h LYS 38 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3fav h LYS 38 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 3fav h LYS 38 CO -0.30 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.35 3fav n LEU 39 N -2.67 2.90 -0.29 2.94 4.77 -0.38 -4.68 117.00 119.61 3fav n LEU 39 Ca 0.05 -1.34 0.27 0.00 -0.03 0.00 0.00 56.01 54.96 3fav n LEU 39 Cb 0.47 -0.28 0.62 0.00 -2.33 0.00 0.00 43.42 41.90 3fav n LEU 39 CO 0.32 0.67 1.26 0.00 -1.33 0.00 0.00 177.39 178.30 3fav h ALA 40 N 4.22 2.59 -0.26 -1.18 0.00 -1.24 0.23 119.26 123.62 3fav h ALA 40 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3fav h ALA 40 Cb 0.78 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3fav h ALA 40 CO 0.00 -0.94 0.21 0.00 0.00 0.00 0.00 179.25 178.52 3fav h ALA 41 N 1.55 2.12 0.00 0.00 0.00 -1.88 0.26 119.26 121.31 3fav h ALA 41 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3fav h ALA 41 Cb 1.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3fav h ALA 41 CO -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.77 3fav h ALA 42 N 1.83 1.00 0.00 0.00 0.00 -1.33 -1.66 119.26 119.10 3fav h ALA 42 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fav h ALA 42 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3fav h ALA 42 CO -0.00 0.00 -0.03 0.91 0.00 0.00 0.00 179.25 180.13 3fav n TRP 43 N -2.98 0.00 -0.23 0.00 8.01 -0.39 -4.95 117.44 116.89 3fav n TRP 43 Ca -0.02 -0.82 0.00 0.00 -1.31 0.00 0.00 57.50 55.34 3fav n TRP 43 Cb 0.10 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.27 3fav n TRP 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3fav n GLY 44 N -1.14 0.88 0.00 6.99 0.00 -0.62 -4.18 105.19 107.12 3fav n GLY 44 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3fav n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fav n GLY 45 N -2.23 0.70 0.00 -0.02 0.00 -0.06 -4.51 105.19 99.07 3fav n GLY 45 Ca 0.00 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.23 3fav n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fav n SER 46 N -0.56 0.00 -0.92 1.61 3.41 -1.26 -1.97 113.62 113.93 3fav n SER 46 Ca 0.00 -0.15 0.10 0.00 -0.26 0.00 0.00 58.87 58.55 3fav n SER 46 Cb 0.00 -0.13 0.16 0.00 -0.26 0.00 0.00 64.21 63.98 3fav n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fav n GLY 47 N -0.26 1.47 3.93 5.00 0.00 -1.26 -4.85 105.19 109.22 3fav n GLY 47 Ca 0.08 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3fav n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fav s SER 48 N -1.31 6.38 0.25 1.61 1.04 -0.83 -5.00 113.70 115.83 3fav s SER 48 Ca 0.30 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 3fav s SER 48 Cb 0.18 -2.04 0.35 0.00 0.10 0.00 0.00 66.02 64.61 3fav s SER 48 CO 0.25 -0.14 1.86 -0.33 0.98 0.00 0.00 173.24 175.86 3fav h GLU 49 N 1.59 1.01 -0.37 4.02 3.07 -1.90 -2.80 114.58 119.20 3fav h GLU 49 Ca -0.48 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.22 3fav h GLU 49 Cb 1.20 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 3fav h GLU 49 CO 0.66 0.67 -0.16 0.00 -1.40 0.00 0.00 179.01 178.78 3fav h ALA 50 N 1.42 1.04 -0.49 3.43 0.00 -1.94 -1.31 119.26 121.41 3fav h ALA 50 Ca 0.39 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3fav h ALA 50 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fav h ALA 50 CO -0.17 0.58 0.16 -0.92 0.00 0.00 0.00 179.25 178.90 3fav h TYR 51 N 0.60 0.77 -0.31 0.00 5.03 -1.67 -1.21 116.97 120.18 3fav h TYR 51 Ca 0.10 -0.07 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 3fav h TYR 51 Cb 0.61 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 3fav h TYR 51 CO 0.03 0.67 -0.13 1.96 -1.32 0.00 0.00 178.16 179.37 3fav h GLN 52 N 0.65 0.53 -0.53 1.82 4.20 -1.22 -1.19 115.11 119.37 3fav h GLN 52 Ca 0.16 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3fav h GLN 52 Cb 0.25 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3fav h GLN 52 CO -0.01 0.65 0.24 0.78 -0.67 0.00 0.00 178.83 179.82 3fav h GLY 53 N 0.94 0.84 0.98 3.46 0.00 -0.97 -0.86 103.07 107.46 3fav h GLY 53 Ca 0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3fav h GLY 53 CO 0.03 0.41 0.24 -2.08 0.00 0.00 0.00 176.54 175.14 3fav h VAL 54 N 0.72 1.20 -0.27 4.60 2.07 -0.87 -0.54 116.25 123.17 3fav h VAL 54 Ca 0.18 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3fav h VAL 54 Cb 0.15 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3fav h VAL 54 CO -0.02 0.23 0.14 1.56 0.02 0.00 0.00 177.57 179.50 3fav h GLN 55 N 0.70 0.38 -0.74 1.57 1.08 -1.08 -0.43 115.11 116.60 3fav h GLN 55 Ca 0.18 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 3fav h GLN 55 Cb 0.14 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 3fav h GLN 55 CO -0.02 0.36 0.24 1.96 -0.95 0.00 0.00 178.83 180.42 3fav h GLN 56 N 0.31 1.14 -0.61 1.46 4.20 -1.02 -1.71 115.11 118.89 3fav h GLN 56 Ca 0.09 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 3fav h GLN 56 Cb 0.09 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3fav h GLN 56 CO -0.01 0.96 0.01 -0.22 -0.67 0.00 0.00 178.83 178.90 3fav h LYS 57 N 1.09 1.07 -0.07 1.46 3.64 -0.97 -2.10 116.57 120.69 3fav h LYS 57 Ca 0.24 -0.33 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3fav h LYS 57 Cb 0.29 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3fav h LYS 57 CO -0.01 1.04 -0.05 2.35 -2.27 0.00 0.00 179.45 180.51 3fav h TRP 58 N 0.97 -0.11 -0.14 1.91 2.91 -0.80 -1.22 115.95 119.47 3fav h TRP 58 Ca 0.17 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.23 3fav h TRP 58 Cb 0.55 0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.23 3fav h TRP 58 CO 0.04 -0.08 -0.03 -0.44 -1.03 0.00 0.00 178.44 176.90 3fav h ASP 59 N -0.05 -0.12 -0.47 2.65 3.45 -1.09 0.11 116.42 120.89 3fav h ASP 59 Ca 0.04 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 3fav h ASP 59 Cb 0.12 0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3fav h ASP 59 CO -0.10 -0.04 0.22 0.00 -1.57 0.00 0.00 179.24 177.74 3fav h ALA 60 N 1.14 0.61 -0.57 3.45 0.00 -1.31 0.83 119.26 123.41 3fav h ALA 60 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3fav h ALA 60 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3fav h ALA 60 CO -0.14 0.19 -0.07 1.15 0.00 0.00 0.00 179.25 180.38 3fav h THR 61 N 0.62 1.27 -0.28 0.00 2.02 -0.97 -2.34 112.91 113.23 3fav h THR 61 Ca 0.16 -1.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.05 3fav h THR 61 Cb 0.14 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3fav h THR 61 CO -0.02 0.44 -0.05 0.00 0.37 0.00 0.00 175.52 176.26 3fav h ALA 62 N 0.95 0.38 -0.38 6.16 0.00 -0.63 -1.88 119.26 123.86 3fav h ALA 62 Ca 0.15 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3fav h ALA 62 Cb 0.64 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3fav h ALA 62 CO 0.04 0.18 0.09 1.15 0.00 0.00 0.00 179.25 180.71 3fav h THR 63 N 0.28 0.83 -0.38 0.00 2.02 -0.76 -0.12 112.91 114.78 3fav h THR 63 Ca 0.07 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 3fav h THR 63 Cb 0.52 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3fav h THR 63 CO 0.02 0.04 -0.22 -0.08 0.37 0.00 0.00 175.52 175.65 3fav h GLU 64 N 0.22 0.75 -0.33 6.66 4.57 -1.39 -0.45 114.58 124.61 3fav h GLU 64 Ca 0.18 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3fav h GLU 64 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3fav h GLU 64 CO -0.22 0.91 0.04 1.25 -1.18 0.00 0.00 179.01 179.80 3fav h LEU 65 N 0.66 0.54 -0.27 1.64 5.85 -0.90 0.63 115.31 123.46 3fav h LEU 65 Ca 0.09 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3fav h LEU 65 Cb 0.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3fav h LEU 65 CO 0.06 0.68 0.14 0.78 -0.34 0.00 0.00 178.44 179.76 3fav h ASN 66 N 0.39 0.34 -0.78 1.25 2.35 -0.95 -1.19 115.58 116.99 3fav h ASN 66 Ca 0.10 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3fav h ASN 66 Cb 0.38 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3fav h ASN 66 CO 0.01 0.34 0.46 0.78 -1.65 0.00 0.00 177.43 177.38 3fav h ASN 67 N 0.31 0.94 -0.64 5.81 2.35 -0.92 -1.09 115.58 122.35 3fav h ASN 67 Ca 0.09 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3fav h ASN 67 Cb 0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3fav h ASN 67 CO -0.01 0.73 0.15 0.00 -1.65 0.00 0.00 177.43 176.65 3fav h ALA 68 N 1.25 0.85 -0.32 -0.83 0.00 -0.75 -1.59 119.26 117.87 3fav h ALA 68 Ca 0.28 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3fav h ALA 68 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3fav h ALA 68 CO -0.05 0.56 -0.26 1.25 0.00 0.00 0.00 179.25 180.75 3fav h LEU 69 N 0.95 0.78 -0.41 0.00 5.85 -1.06 -0.76 115.31 120.66 3fav h LEU 69 Ca 0.20 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3fav h LEU 69 Cb 0.36 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3fav h LEU 69 CO 0.00 1.07 0.09 1.56 -0.34 0.00 0.00 178.44 180.82 3fav h GLN 70 N 0.50 0.21 -0.95 1.25 4.20 -1.14 -1.32 115.11 117.86 3fav h GLN 70 Ca 0.06 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3fav h GLN 70 Cb 0.83 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.51 3fav h GLN 70 CO 0.07 0.14 0.62 -0.97 -0.67 0.00 0.00 178.83 178.02 3fav h ASN 71 N 0.22 1.04 -0.20 1.46 -1.24 -1.10 -0.70 115.58 115.06 3fav h ASN 71 Ca 0.20 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.13 3fav h ASN 71 Cb 0.24 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 3fav h ASN 71 CO -0.26 0.72 -0.13 0.25 -1.29 0.00 0.00 177.43 176.72 3fav h LEU 72 N 1.21 0.46 -0.52 0.34 5.85 -0.96 -0.15 115.31 121.54 3fav h LEU 72 Ca 0.37 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3fav h LEU 72 Cb -0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3fav h LEU 72 CO -0.11 0.80 0.21 0.00 -0.34 0.00 0.00 178.44 178.99 3fav h ALA 73 N 0.68 0.68 -0.43 1.25 0.00 -1.05 -0.84 119.26 119.55 3fav h ALA 73 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3fav h ALA 73 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3fav h ALA 73 CO 0.04 0.29 0.20 -0.09 0.00 0.00 0.00 179.25 179.68 3fav h ARG 74 N 0.70 0.62 -0.57 0.00 2.43 -1.08 -1.36 114.38 115.11 3fav h ARG 74 Ca 0.17 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 3fav h ARG 74 Cb 0.20 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3fav h ARG 74 CO -0.01 0.54 -0.02 1.15 -1.51 0.00 0.00 179.97 180.12 3fav h THR 75 N 0.55 1.26 -0.25 0.20 2.02 -0.83 -1.11 112.91 114.75 3fav h THR 75 Ca 0.15 -1.15 -0.19 0.00 0.77 0.00 0.00 66.41 65.98 3fav h THR 75 Cb 0.14 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3fav h THR 75 CO -0.02 0.41 -0.59 0.40 0.37 0.00 0.00 175.52 176.09 3fav h ILE 76 N 0.92 1.28 -0.70 3.11 2.04 -1.01 -1.50 117.51 121.65 3fav h ILE 76 Ca 0.16 -1.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.19 3fav h ILE 76 Cb 0.56 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3fav h ILE 76 CO 0.03 0.58 0.24 0.28 0.00 0.00 0.00 178.15 179.28 3fav h SER 77 N 0.62 1.00 -0.22 1.72 0.02 -1.14 -1.08 113.55 114.47 3fav h SER 77 Ca 0.00 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3fav h SER 77 Cb 1.20 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3fav h SER 77 CO 0.13 0.93 0.02 -0.33 -1.14 0.00 0.00 176.83 176.44 3fav h GLU 78 N 1.01 0.37 -0.57 3.45 4.39 -1.16 -1.66 114.58 120.40 3fav h GLU 78 Ca 0.23 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.84 3fav h GLU 78 Cb 0.27 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3fav h GLU 78 CO -0.01 0.53 0.38 0.00 -1.16 0.00 0.00 179.01 178.75 3fav h ALA 79 N 0.82 1.64 0.71 3.43 0.00 -1.18 0.11 119.26 124.80 3fav h ALA 79 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fav h ALA 79 Cb 0.35 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fav h ALA 79 CO 0.01 0.31 -0.34 0.78 0.00 0.00 0.00 179.25 180.01 3fav h GLY 80 N 0.73 -0.99 0.78 0.00 0.00 -0.96 -2.19 103.07 100.43 3fav h GLY 80 Ca 0.22 0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.95 3fav h GLY 80 CO -0.05 -0.36 0.22 1.46 0.00 0.00 0.00 176.54 177.81 3fav h GLN 81 N -1.22 0.43 -0.55 4.80 1.08 -1.19 -1.16 115.11 117.30 3fav h GLN 81 Ca -0.10 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3fav h GLN 81 Cb 0.73 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 28.00 3fav h GLN 81 CO 0.16 0.28 -0.33 0.00 -0.95 0.00 0.00 178.83 178.00 3fav n ALA 82 N -2.30 -0.35 -0.28 3.87 0.00 0.36 -1.69 120.51 120.11 3fav n ALA 82 Ca 0.03 0.47 0.10 0.00 0.00 0.00 0.00 53.44 54.03 3fav n ALA 82 Cb 0.11 0.13 0.25 0.00 0.00 0.00 0.00 19.45 19.93 3fav n ALA 82 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3fav h MET 83 N 0.00 0.28 0.00 0.00 -1.53 -0.55 -3.51 114.93 109.61 3fav h MET 83 Ca 0.09 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.33 3fav h MET 83 Cb 0.23 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.21 3fav h MET 83 CO -0.52 0.18 0.00 0.00 0.14 0.00 0.00 176.91 176.71