#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf s ASP 2 N 0.00 7.05 -0.43 7.83 -1.08 -1.26 -4.96 116.67 123.82 1faf s ASP 2 Ca 0.00 1.69 0.08 0.00 -0.52 0.00 0.00 52.55 53.80 1faf s ASP 2 Cb 0.00 -2.55 0.26 0.00 -1.46 0.00 0.00 42.92 39.17 1faf s ASP 2 CO 0.00 -0.63 0.59 0.54 0.52 0.00 0.00 175.17 176.19 1faf n ARG 3 N 5.75 1.08 -3.81 4.34 1.74 -1.26 -5.08 116.66 119.42 1faf n ARG 3 Ca 0.12 -3.50 -0.19 0.00 -0.77 0.00 0.00 57.85 53.51 1faf n ARG 3 Cb 0.46 -1.45 -0.17 0.00 -1.02 0.00 0.00 32.46 30.28 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1faf s VAL 4 N -1.58 0.11 0.24 1.55 -7.23 -1.26 -4.91 120.40 107.31 1faf s VAL 4 Ca 0.37 0.20 -0.17 0.00 -1.81 0.00 0.00 61.98 60.57 1faf s VAL 4 Cb 0.19 -0.27 -0.08 0.00 0.56 0.00 0.00 36.38 36.78 1faf s VAL 4 CO -0.09 0.17 0.69 -1.48 -0.31 0.00 0.00 175.10 174.08 1faf s LEU 5 N 1.52 4.26 0.00 1.32 0.05 -1.26 -5.09 118.68 119.48 1faf s LEU 5 Ca -0.03 1.30 0.00 0.00 0.05 0.00 0.00 54.13 55.46 1faf s LEU 5 Cb -0.13 -3.67 0.00 0.00 -2.05 0.00 0.00 46.19 40.34 1faf s LEU 5 CO -0.03 -0.02 0.00 -1.54 -0.55 0.00 0.00 176.35 174.21 1faf n SER 6 N 0.41 0.00 0.01 1.48 3.41 -1.26 -4.70 113.62 112.97 1faf n SER 6 Ca -0.01 -0.90 -0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1faf n SER 6 Cb 0.52 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.76 1faf n SER 6 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1faf h ARG 7 N 0.00 0.49 -0.30 4.33 3.08 -1.98 0.14 114.38 120.14 1faf h ARG 7 Ca 0.00 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 1faf h ARG 7 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1faf h ARG 7 CO 0.00 0.56 -0.40 0.00 -1.07 0.00 0.00 179.97 179.06 1faf h ALA 8 N 1.49 0.73 0.01 0.04 0.00 -1.98 -1.28 119.26 118.27 1faf h ALA 8 Ca 0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1faf h ALA 8 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1faf h ALA 8 CO 0.02 0.66 -0.00 -0.44 0.00 0.00 0.00 179.25 179.49 1faf h ASP 9 N 0.59 -0.01 -0.50 0.00 5.19 -1.83 -2.57 116.42 117.30 1faf h ASP 9 Ca 0.05 -0.82 0.07 0.00 -0.62 0.00 0.00 57.03 55.71 1faf h ASP 9 Cb 0.94 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 1faf h ASP 9 CO 0.09 0.89 0.34 0.07 -3.12 0.00 0.00 179.24 177.50 1faf h LYS 10 N -0.97 0.36 -0.04 3.56 5.09 -0.82 0.33 116.57 124.07 1faf h LYS 10 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 60.65 60.60 1faf h LYS 10 Cb 0.83 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.06 1faf h LYS 10 CO 0.00 0.24 -0.53 1.49 -2.09 0.00 0.00 179.45 178.56 1faf h GLU 11 N 0.37 0.12 -0.46 0.07 4.57 -1.30 -2.65 114.58 115.30 1faf h GLU 11 Ca 0.22 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1faf h GLU 11 Cb 0.40 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1faf h GLU 11 CO -0.05 0.62 0.08 -0.09 -1.18 0.00 0.00 179.01 178.39 1faf h ARG 12 N 0.09 0.70 -0.52 1.92 2.43 0.06 -1.74 114.38 117.32 1faf h ARG 12 Ca -0.00 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1faf h ARG 12 Cb 0.97 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1faf h ARG 12 CO 0.08 0.66 0.07 1.25 -1.51 0.00 0.00 179.97 180.51 1faf h LEU 13 N 0.67 0.79 -0.51 3.80 5.85 -1.01 -2.74 115.31 122.16 1faf h LEU 13 Ca 0.15 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1faf h LEU 13 Cb 0.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1faf h LEU 13 CO 0.00 0.81 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.79 1faf h LEU 14 N 0.79 0.92 -0.65 2.25 3.38 -1.18 -0.55 115.31 120.27 1faf h LEU 14 Ca 0.16 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1faf h LEU 14 Cb 0.38 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1faf h LEU 14 CO 0.01 1.04 0.28 -0.08 0.09 0.00 0.00 178.44 179.78 1faf h GLU 15 N 0.79 0.47 0.00 1.13 4.81 -1.06 0.62 114.58 121.34 1faf h GLU 15 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1faf h GLU 15 Cb 0.59 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1faf h GLU 15 CO 0.04 0.31 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.42 1faf h LEU 16 N 0.49 0.00 -0.52 1.64 4.07 -1.42 -3.19 115.31 116.38 1faf h LEU 16 Ca 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1faf h LEU 16 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1faf h LEU 16 CO -0.29 0.02 -0.21 0.18 -1.08 0.00 0.00 178.44 177.06 1faf n LEU 17 N -2.40 1.02 -1.26 1.67 7.99 0.03 -4.80 117.00 119.24 1faf n LEU 17 Ca 0.05 -0.26 -0.12 0.00 -0.01 0.00 0.00 56.01 55.66 1faf n LEU 17 Cb 0.45 -0.11 -0.05 0.00 -0.11 0.00 0.00 43.42 43.60 1faf n LEU 17 CO 0.32 0.19 -0.12 0.29 -1.51 0.00 0.00 177.39 176.56 1faf n LYS 18 N -0.59 -1.36 -3.87 3.23 4.01 -0.14 -4.68 118.16 114.75 1faf n LYS 18 Ca 0.13 0.76 -0.36 0.00 -0.51 0.00 0.00 58.31 58.33 1faf n LYS 18 Cb 0.34 -4.97 -0.13 0.00 -0.51 0.00 0.00 35.03 29.76 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1faf s LEU 19 N -3.44 3.97 1.13 -0.35 0.20 -1.15 -5.08 118.68 113.96 1faf s LEU 19 Ca 0.00 -1.21 -0.19 0.00 0.69 0.00 0.00 54.13 53.43 1faf s LEU 19 Cb 0.00 -1.75 0.12 0.00 -0.43 0.00 0.00 46.19 44.13 1faf s LEU 19 CO 0.00 -0.27 0.05 -2.65 -0.29 0.00 0.00 176.35 173.19 1faf n PRO 20 N 4.68 -1.78 0.00 0.98 -0.02 -1.26 -4.68 135.00 132.91 1faf n PRO 20 Ca -0.13 -0.51 0.13 0.00 -2.02 0.00 0.00 63.50 60.97 1faf n PRO 20 Cb 0.44 -1.69 0.34 0.00 -0.02 0.00 0.00 33.50 32.57 1faf n PRO 20 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1faf n ARG 21 N -2.20 0.15 0.04 -0.52 -4.01 -1.26 -3.77 116.66 105.10 1faf n ARG 21 Ca 0.01 -0.08 -0.04 0.00 -1.04 0.00 0.00 57.85 56.70 1faf n ARG 21 Cb 0.60 -1.50 0.17 0.00 -3.04 0.00 0.00 32.46 28.69 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 1faf h GLN 22 N 0.20 0.40 -0.52 2.89 -0.00 -2.05 -2.91 115.11 113.11 1faf h GLN 22 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 1faf h GLN 22 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.97 1faf h GLN 22 CO 0.00 0.74 0.00 1.47 0.00 0.00 0.00 178.83 181.04 1faf n LEU 23 N -4.03 3.63 -4.51 -2.39 -0.00 -1.25 -4.97 117.00 103.47 1faf n LEU 23 Ca -0.01 -2.14 -0.40 0.00 -0.00 0.00 0.00 56.01 53.46 1faf n LEU 23 Cb 0.49 -0.39 -0.09 0.00 -0.00 0.00 0.00 43.42 43.43 1faf n LEU 23 CO 0.43 0.83 2.11 1.87 -0.00 0.00 0.00 177.39 182.63 1faf n TRP 24 N 0.92 1.02 0.00 1.47 -0.00 -1.10 -2.41 117.44 117.34 1faf n TRP 24 Ca 0.19 0.27 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 1faf n TRP 24 Cb 0.60 -2.50 0.00 0.00 -0.00 0.00 0.00 31.31 29.40 1faf n TRP 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1faf n GLY 25 N 6.31 0.54 3.56 5.87 0.00 -1.26 -5.08 105.19 115.13 1faf n GLY 25 Ca 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 1faf n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1faf s ASP 26 N 0.00 6.35 0.39 1.61 -1.08 -1.01 -4.83 116.67 118.10 1faf s ASP 26 Ca 0.00 -1.50 0.17 0.00 -0.52 0.00 0.00 52.55 50.70 1faf s ASP 26 Cb 0.00 -2.57 1.06 0.00 -1.46 0.00 0.00 42.92 39.95 1faf s ASP 26 CO 0.00 -1.64 1.79 0.15 0.52 0.00 0.00 175.17 175.99 1faf h PHE 27 N 9.68 0.67 -0.60 -5.34 3.57 -1.98 -0.14 116.94 122.79 1faf h PHE 27 Ca 0.22 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1faf h PHE 27 Cb 0.99 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1faf h PHE 27 CO 1.29 0.10 -0.01 0.78 -2.23 0.00 0.00 178.31 178.24 1faf h GLY 28 N 0.43 1.14 0.82 2.40 0.00 -1.99 -1.64 103.07 104.23 1faf h GLY 28 Ca 0.56 -0.84 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 1faf h GLY 28 CO -0.27 0.77 -0.85 3.21 0.00 0.00 0.00 176.54 179.40 1faf h ARG 29 N 0.96 0.39 -0.46 4.80 3.08 -1.51 -2.88 114.38 118.76 1faf h ARG 29 Ca 0.17 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 1faf h ARG 29 Cb 0.57 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1faf h ARG 29 CO 0.03 1.23 0.23 0.00 -1.07 0.00 0.00 179.97 180.40 1faf h MET 30 N -0.18 0.65 -0.62 0.04 -0.00 -1.14 -2.32 114.93 111.36 1faf h MET 30 Ca -0.14 -0.09 -0.04 0.00 -0.00 0.00 0.00 59.70 59.43 1faf h MET 30 Cb 1.62 -0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 33.07 1faf h MET 30 CO 0.16 0.54 0.22 0.37 -0.00 0.00 0.00 176.91 178.20 1faf h GLN 31 N 0.60 0.93 -0.29 -0.10 4.15 -1.41 0.38 115.11 119.37 1faf h GLN 31 Ca 0.16 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1faf h GLN 31 Cb 0.09 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1faf h GLN 31 CO -0.02 0.78 0.16 0.37 -1.93 0.00 0.00 178.83 178.19 1faf h GLN 32 N 0.91 0.39 0.20 1.69 5.75 -1.22 -1.92 115.11 120.90 1faf h GLN 32 Ca 0.21 -0.03 -0.27 0.00 -0.15 0.00 0.00 58.65 58.40 1faf h GLN 32 Cb 0.22 -0.08 0.03 0.00 1.07 0.00 0.00 27.48 28.72 1faf h GLN 32 CO -0.01 0.28 -1.22 0.00 -2.65 0.00 0.00 178.83 175.23 1faf h ALA 33 N 1.79 -0.10 -0.90 3.38 0.00 -0.81 -2.64 119.26 119.96 1faf h ALA 33 Ca 0.10 -0.82 0.17 0.00 0.00 0.00 0.00 54.91 54.36 1faf h ALA 33 Cb 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 1faf h ALA 33 CO -0.02 0.59 0.48 -0.92 0.00 0.00 0.00 179.25 179.38 1faf h TYR 34 N -0.09 0.85 -0.07 0.00 5.03 -0.48 0.30 116.97 122.50 1faf h TYR 34 Ca -0.22 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 60.95 1faf h TYR 34 Cb 1.93 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.97 1faf h TYR 34 CO 0.16 0.17 -0.70 0.87 -1.32 0.00 0.00 178.16 177.34 1faf h LYS 35 N 0.64 0.35 -0.79 1.82 1.57 -1.44 -0.67 116.57 118.04 1faf h LYS 35 Ca 0.51 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1faf h LYS 35 Cb 0.78 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 1faf h LYS 35 CO -0.39 0.91 0.42 0.37 -0.57 0.00 0.00 179.45 180.19 1faf h GLN 36 N 0.24 1.12 0.00 3.15 5.75 -0.15 -2.45 115.11 122.77 1faf h GLN 36 Ca -0.02 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.27 1faf h GLN 36 Cb 1.26 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1faf h GLN 36 CO 0.12 0.83 -0.64 1.96 -2.65 0.00 0.00 178.83 178.45 1faf h GLN 37 N 1.11 0.00 0.00 1.69 1.08 -0.86 -3.28 115.11 114.84 1faf h GLN 37 Ca 0.28 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1faf h GLN 37 Cb 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1faf h GLN 37 CO -0.04 0.22 -0.17 0.77 -0.95 0.00 0.00 178.83 178.66 1faf h SER 38 N 0.00 0.00 0.86 1.46 0.02 -0.64 0.95 113.55 116.20 1faf h SER 38 Ca -0.03 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.69 1faf h SER 38 Cb 1.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1faf h SER 38 CO 0.03 0.17 -1.06 -0.07 -1.14 0.00 0.00 176.83 174.76 1faf h LEU 39 N 0.00 0.14 0.00 5.07 3.38 -1.56 -2.97 115.31 119.37 1faf h LEU 39 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1faf h LEU 39 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1faf h LEU 39 CO 0.02 1.10 -0.71 0.17 0.09 0.00 0.00 178.44 179.12 1faf h LEU 40 N 0.03 0.00 -0.69 1.67 8.10 -1.56 -3.29 115.31 119.58 1faf h LEU 40 Ca -0.05 -0.21 0.00 0.00 0.11 0.00 0.00 57.88 57.73 1faf h LEU 40 Cb 1.80 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.02 1faf h LEU 40 CO 0.15 0.10 -0.35 0.18 -4.11 0.00 0.00 178.44 174.41 1faf n LEU 41 N -2.16 1.42 -4.71 0.17 4.77 0.29 -4.53 117.00 112.24 1faf n LEU 41 Ca 0.03 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 1faf n LEU 41 Cb 0.45 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1faf n LEU 41 CO 0.37 0.27 0.93 1.57 -1.33 0.00 0.00 177.39 179.20 1faf n HIS 42 N -0.42 2.34 0.30 -1.77 -0.00 -1.12 -4.19 115.22 110.36 1faf n HIS 42 Ca 0.11 0.52 0.17 0.00 0.46 0.00 0.00 57.72 58.98 1faf n HIS 42 Cb 0.40 -2.42 0.80 0.00 -0.12 0.00 0.00 29.99 28.64 1faf n HIS 42 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1faf h PRO 43 N 2.47 0.00 0.00 1.57 0.13 -1.87 -2.08 132.00 132.22 1faf h PRO 43 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1faf h PRO 43 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1faf h PRO 43 CO 0.62 0.00 -0.53 0.22 -0.23 0.00 0.00 178.00 178.08 1faf h ASP 44 N 0.00 0.00 -0.96 1.44 3.58 -1.91 -3.31 116.42 115.26 1faf h ASP 44 Ca 0.00 -0.05 -0.52 0.00 0.42 0.00 0.00 57.03 56.88 1faf h ASP 44 Cb 0.24 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 40.99 1faf h ASP 44 CO 0.00 0.02 0.63 0.29 -2.88 0.00 0.00 179.24 177.30 1faf n LYS 45 N -2.63 2.28 -3.27 0.28 4.76 -0.81 -4.89 118.16 113.88 1faf n LYS 45 Ca 0.02 -3.06 -0.16 0.00 -2.87 0.00 0.00 58.31 52.24 1faf n LYS 45 Cb 0.51 -2.17 0.07 0.00 -1.84 0.00 0.00 35.03 31.60 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1faf n GLY 46 N -1.12 -0.24 3.91 0.72 0.00 -1.25 -4.91 105.19 102.31 1faf n GLY 46 Ca 0.59 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.41 1faf n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1faf s GLY 47 N -3.75 2.18 0.16 -0.02 0.00 -1.04 -5.04 107.32 99.82 1faf s GLY 47 Ca 0.21 -1.65 -0.14 0.00 0.00 0.00 0.00 44.72 43.14 1faf s GLY 47 CO 0.60 -1.81 0.56 -0.56 0.00 0.00 0.00 173.10 171.88 1faf s SER 48 N -4.28 6.80 -0.12 1.64 0.01 -1.26 -4.69 113.70 111.80 1faf s SER 48 Ca 0.44 1.07 -0.23 0.00 1.31 0.00 0.00 55.95 58.53 1faf s SER 48 Cb -0.03 -2.28 -0.26 0.00 0.21 0.00 0.00 66.02 63.65 1faf s SER 48 CO 0.27 0.07 0.66 0.45 0.41 0.00 0.00 173.24 175.10 1faf h HIS 49 N 3.38 0.23 0.00 2.43 3.86 -1.97 -3.08 115.15 119.99 1faf h HIS 49 Ca -0.48 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 58.53 1faf h HIS 49 Cb 1.19 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 1faf h HIS 49 CO 0.65 1.28 -0.12 0.00 0.86 0.00 0.00 177.93 180.59 1faf h ALA 50 N -0.07 1.35 0.01 2.45 0.00 -1.99 -2.97 119.26 118.03 1faf h ALA 50 Ca -0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1faf h ALA 50 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1faf h ALA 50 CO 0.01 0.15 -0.16 -0.07 0.00 0.00 0.00 179.25 179.19 1faf h LEU 51 N 0.00 0.12 -0.99 0.00 3.38 -1.98 -3.09 115.31 112.75 1faf h LEU 51 Ca -0.00 -0.84 0.22 0.00 0.09 0.00 0.00 57.88 57.35 1faf h LEU 51 Cb 0.31 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.91 1faf h LEU 51 CO 0.02 0.95 0.59 -0.03 0.09 0.00 0.00 178.44 180.05 1faf h MET 52 N -0.69 0.63 0.00 1.13 4.05 -1.43 0.41 114.93 119.03 1faf h MET 52 Ca -0.02 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.24 1faf h MET 52 Cb 0.98 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.62 1faf h MET 52 CO 0.03 0.41 -0.56 1.96 0.23 0.00 0.00 176.91 178.98 1faf h GLN 53 N 0.64 0.00 -0.10 0.39 1.08 -1.63 -2.96 115.11 112.54 1faf h GLN 53 Ca 0.61 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.81 1faf h GLN 53 Cb 1.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1faf h GLN 53 CO -0.44 0.56 0.04 0.93 -0.95 0.00 0.00 178.83 178.97 1faf h GLU 54 N 0.00 0.15 -0.34 1.46 5.08 -0.10 -1.65 114.58 119.17 1faf h GLU 54 Ca -0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1faf h GLU 54 Cb 1.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1faf h GLU 54 CO 0.07 0.27 0.04 1.25 -1.00 0.00 0.00 179.01 179.64 1faf h LEU 55 N -0.01 0.48 -0.85 1.33 5.85 -1.39 -1.63 115.31 119.10 1faf h LEU 55 Ca 0.03 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1faf h LEU 55 Cb 0.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1faf h LEU 55 CO -0.00 0.52 -0.47 0.78 -0.34 0.00 0.00 178.44 178.92 1faf h ASN 56 N 0.50 0.26 -0.02 1.25 2.35 -1.33 -1.03 115.58 117.55 1faf h ASN 56 Ca 0.11 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1faf h ASN 56 Cb 0.26 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1faf h ASN 56 CO 0.00 0.70 -0.36 0.77 -1.65 0.00 0.00 177.43 176.89 1faf h SER 57 N 0.19 0.36 0.51 5.81 4.64 -0.75 0.17 113.55 124.48 1faf h SER 57 Ca 0.01 -0.72 -0.09 0.00 -0.47 0.00 0.00 61.79 60.51 1faf h SER 57 Cb 0.91 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1faf h SER 57 CO 0.07 1.03 -0.44 -0.07 -0.87 0.00 0.00 176.83 176.55 1faf h LEU 58 N -0.28 0.00 0.00 5.97 3.38 -1.33 -2.63 115.31 120.41 1faf h LEU 58 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1faf h LEU 58 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1faf h LEU 58 CO 0.07 0.44 -0.89 -0.25 0.09 0.00 0.00 178.44 177.90 1faf h TRP 59 N 0.00 0.00 0.11 1.13 2.91 -1.23 -3.21 115.95 115.66 1faf h TRP 59 Ca -0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1faf h TRP 59 Cb 0.81 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1faf h TRP 59 CO 0.00 0.00 -0.05 0.78 -1.03 0.00 0.00 178.44 178.14 1faf h GLY 60 N 4.10 -0.15 0.28 2.65 0.00 -0.31 -1.45 103.07 108.19 1faf h GLY 60 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1faf h GLY 60 CO 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 176.54 176.41 1faf h THR 61 N -0.39 0.64 -0.82 4.70 1.03 -1.69 0.17 112.91 116.55 1faf h THR 61 Ca -0.01 -0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.55 1faf h THR 61 Cb 0.11 0.63 -0.15 0.00 -1.07 0.00 0.00 68.15 67.66 1faf h THR 61 CO 0.02 0.00 -0.17 0.15 -0.01 0.00 0.00 175.52 175.51 1faf h PHE 62 N 0.01 -0.38 -0.91 0.00 3.57 -1.68 0.74 116.94 118.29 1faf h PHE 62 Ca 0.18 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1faf h PHE 62 Cb 0.27 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1faf h PHE 62 CO -0.32 -0.34 0.58 -0.22 -2.23 0.00 0.00 178.31 175.77 1faf h LYS 63 N 0.01 1.02 -1.10 1.11 3.64 0.42 -0.03 116.57 121.65 1faf h LYS 63 Ca 0.40 -0.06 0.32 0.00 -1.27 0.00 0.00 60.65 60.04 1faf h LYS 63 Cb 0.64 -0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 32.11 1faf h LYS 63 CO -0.83 0.68 0.69 1.15 -2.27 0.00 0.00 179.45 178.87 1faf h THR 64 N 1.05 0.38 0.05 1.00 2.02 0.17 1.04 112.91 118.62 1faf h THR 64 Ca 0.40 -0.11 -0.28 0.00 0.77 0.00 0.00 66.41 67.18 1faf h THR 64 Cb 0.16 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1faf h THR 64 CO -0.17 0.06 -1.49 -0.33 0.37 0.00 0.00 175.52 173.96 1faf h GLU 65 N 0.32 0.11 -0.54 6.66 4.39 -1.07 -3.36 114.58 121.09 1faf h GLU 65 Ca 0.69 -0.19 0.10 0.00 0.34 0.00 0.00 59.36 60.29 1faf h GLU 65 Cb 1.78 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 30.43 1faf h GLU 65 CO -0.41 0.90 0.07 0.28 -1.16 0.00 0.00 179.01 178.69 1faf h VAL 66 N 0.03 0.65 -0.05 3.13 2.07 0.29 1.04 116.25 123.40 1faf h VAL 66 Ca -0.21 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1faf h VAL 66 Cb 1.96 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1faf h VAL 66 CO 0.12 0.04 0.04 1.88 0.02 0.00 0.00 177.57 179.67 1faf h TYR 67 N 0.20 0.00 0.00 1.57 -1.99 -1.24 -1.14 116.97 114.38 1faf h TYR 67 Ca 0.28 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.92 1faf h TYR 67 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 1faf h TYR 67 CO -0.27 0.00 -1.27 0.09 -0.00 0.00 0.00 178.16 176.71 1faf n ASN 68 N -4.36 0.79 0.11 3.88 3.02 0.72 -4.06 115.26 115.36 1faf n ASN 68 Ca -0.02 0.33 0.05 0.00 -0.03 0.00 0.00 54.58 54.91 1faf n ASN 68 Cb 0.14 0.41 0.48 0.00 -0.61 0.00 0.00 39.78 40.20 1faf n ASN 68 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1faf h LEU 69 N 0.00 0.27 0.00 3.41 8.10 0.23 -0.47 115.31 126.85 1faf h LEU 69 Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1faf h LEU 69 Cb 1.29 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 1faf h LEU 69 CO 0.02 0.25 0.00 0.54 -4.11 0.00 0.00 178.44 175.14 1faf n ARG 70 N -4.44 0.70 -0.04 0.17 1.74 -1.18 -2.38 116.66 111.22 1faf n ARG 70 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1faf n ARG 70 Cb 0.12 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1faf n MET 71 N -0.95 1.00 -2.36 5.56 2.81 -0.19 -4.97 117.12 118.03 1faf n MET 71 Ca 0.15 -0.08 -0.41 0.00 -1.81 0.00 0.00 57.70 55.56 1faf n MET 71 Cb 0.07 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 1faf n MET 71 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1faf s ASN 72 N -4.46 7.08 0.12 7.83 -0.87 -1.00 -4.94 114.94 118.71 1faf s ASN 72 Ca -0.07 2.32 0.00 0.00 -1.57 0.00 0.00 52.86 53.54 1faf s ASN 72 Cb 0.08 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1faf s ASN 72 CO 0.67 -0.34 0.00 -0.11 -2.57 0.00 0.00 177.10 174.75 1faf n LEU 73 N 1.89 0.75 0.00 0.60 7.94 -1.26 -5.03 117.00 121.89 1faf n LEU 73 Ca 0.02 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1faf n LEU 73 Cb 0.44 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1faf n LEU 73 CO 0.56 -0.73 0.00 0.61 -1.11 0.00 0.00 177.39 176.72 1faf n GLY 74 N 3.11 0.83 0.00 -3.96 0.00 -1.26 -4.76 105.19 99.14 1faf n GLY 74 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1faf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1faf n GLY 75 N 0.00 0.00 3.78 -0.02 0.00 -1.26 -5.15 105.19 102.54 1faf n GLY 75 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1faf n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1faf s THR 76 N 0.00 3.88 0.37 2.61 -1.32 -1.26 -4.94 115.64 114.98 1faf s THR 76 Ca 0.00 1.47 0.23 0.00 -1.21 0.00 0.00 61.69 62.19 1faf s THR 76 Cb 0.00 -3.78 0.24 0.00 -1.51 0.00 0.00 72.50 67.45 1faf s THR 76 CO 0.00 0.04 1.99 1.23 -2.21 0.00 0.00 174.62 175.68 1faf h GLY 77 N 2.72 0.00 -7.15 6.08 0.00 -2.03 -3.39 103.07 99.31 1faf h GLY 77 Ca -0.48 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.21 1faf h GLY 77 CO 0.63 0.00 0.28 -0.12 0.00 0.00 0.00 176.54 177.33 1faf s PHE 78 N -4.16 2.96 -2.97 5.60 5.36 -1.26 -5.34 117.98 118.17 1faf s PHE 78 Ca -0.02 -0.16 0.24 0.00 -0.96 0.00 0.00 56.93 56.03 1faf s PHE 78 Cb 0.13 -3.69 0.24 0.00 -0.34 0.00 0.00 43.02 39.37 1faf s PHE 78 CO 0.62 -1.09 1.29 0.00 -1.46 0.00 0.00 175.22 174.58