#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf n ASP 2 N 0.00 -1.04 -3.39 7.83 2.03 -1.26 -5.02 116.55 115.70 1faf n ASP 2 Ca 0.00 0.19 -0.20 0.00 0.52 0.00 0.00 54.79 55.29 1faf n ASP 2 Cb 0.00 -1.30 -0.09 0.00 -0.72 0.00 0.00 41.12 39.01 1faf n ASP 2 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1faf s ARG 3 N -4.22 0.59 -0.09 -0.67 1.81 -1.26 -5.12 118.95 109.99 1faf s ARG 3 Ca 0.64 -0.95 0.02 0.00 -1.72 0.00 0.00 55.73 53.72 1faf s ARG 3 Cb -0.22 -0.89 0.01 0.00 -0.45 0.00 0.00 34.95 33.41 1faf s ARG 3 CO 0.63 -1.19 -0.15 0.14 -0.68 0.00 0.00 175.30 174.05 1faf s VAL 4 N 1.38 1.42 0.14 3.52 -7.23 -1.26 -4.75 120.40 113.62 1faf s VAL 4 Ca 0.17 -0.62 -0.15 0.00 -1.81 0.00 0.00 61.98 59.57 1faf s VAL 4 Cb -0.17 -1.29 -0.07 0.00 0.56 0.00 0.00 36.38 35.41 1faf s VAL 4 CO -0.04 0.42 0.55 -1.48 -0.31 0.00 0.00 175.10 174.24 1faf s LEU 5 N 0.78 4.36 0.00 1.32 2.34 -1.26 -5.09 118.68 121.12 1faf s LEU 5 Ca -0.11 1.09 -0.02 0.00 0.06 0.00 0.00 54.13 55.15 1faf s LEU 5 Cb -0.16 -3.21 0.08 0.00 -0.56 0.00 0.00 46.19 42.34 1faf s LEU 5 CO 0.02 0.13 0.52 -1.54 -1.06 0.00 0.00 176.35 174.41 1faf n SER 6 N 0.92 0.50 -0.21 1.48 3.41 -1.26 -4.79 113.62 113.66 1faf n SER 6 Ca -0.06 -1.47 0.07 0.00 -0.26 0.00 0.00 58.87 57.15 1faf n SER 6 Cb 0.52 -0.35 0.34 0.00 -0.26 0.00 0.00 64.21 64.45 1faf n SER 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1faf h ARG 7 N 0.00 0.76 -0.59 4.33 0.11 -1.99 -0.99 114.38 116.01 1faf h ARG 7 Ca -0.17 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 59.81 1faf h ARG 7 Cb 0.58 -0.17 -0.03 0.00 1.11 0.00 0.00 29.97 31.46 1faf h ARG 7 CO 0.16 0.50 0.14 0.00 0.10 0.00 0.00 179.97 180.88 1faf h ALA 8 N 1.59 1.14 0.45 0.08 0.00 -1.98 0.45 119.26 120.99 1faf h ALA 8 Ca 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1faf h ALA 8 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1faf h ALA 8 CO -0.13 0.58 -0.22 -0.44 0.00 0.00 0.00 179.25 179.05 1faf h ASP 9 N 0.88 -0.51 -0.99 0.00 3.32 -1.56 -1.71 116.42 115.85 1faf h ASP 9 Ca 0.19 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1faf h ASP 9 Cb 0.32 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 1faf h ASP 9 CO -0.00 -0.09 0.64 0.07 -1.72 0.00 0.00 179.24 178.14 1faf h LYS 10 N -1.06 1.16 -0.71 3.56 5.09 -1.34 0.10 116.57 123.37 1faf h LYS 10 Ca -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 60.65 60.60 1faf h LYS 10 Cb 0.55 -0.26 -0.03 0.00 0.10 0.00 0.00 32.23 32.58 1faf h LYS 10 CO 0.10 0.77 0.39 0.93 -2.09 0.00 0.00 179.45 179.55 1faf h GLU 11 N 1.20 0.99 0.00 0.07 4.39 -0.94 -0.49 114.58 119.78 1faf h GLU 11 Ca 0.41 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.90 1faf h GLU 11 Cb 0.10 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1faf h GLU 11 CO -0.15 0.74 -0.47 -0.09 -1.16 0.00 0.00 179.01 177.88 1faf h ARG 12 N 0.98 0.00 -0.16 2.33 9.65 -0.31 -1.87 114.38 124.99 1faf h ARG 12 Ca 0.25 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 59.00 1faf h ARG 12 Cb 0.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1faf h ARG 12 CO -0.04 0.47 -0.44 1.25 2.80 0.00 0.00 179.97 184.01 1faf h LEU 13 N 0.00 0.41 -0.06 3.80 5.85 0.03 -2.88 115.31 122.45 1faf h LEU 13 Ca -0.00 -0.18 -0.21 0.00 0.84 0.00 0.00 57.88 58.32 1faf h LEU 13 Cb 0.88 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.81 1faf h LEU 13 CO 0.06 0.80 -0.80 -0.07 -0.34 0.00 0.00 178.44 178.09 1faf h LEU 14 N 0.31 0.81 -1.24 2.25 3.38 -0.79 -1.53 115.31 118.49 1faf h LEU 14 Ca 0.02 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.39 1faf h LEU 14 Cb 0.91 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1faf h LEU 14 CO 0.08 1.39 0.56 -0.08 0.09 0.00 0.00 178.44 180.47 1faf h GLU 15 N 0.30 0.82 0.00 1.13 4.81 -1.28 0.15 114.58 120.51 1faf h GLU 15 Ca -0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1faf h GLU 15 Cb 1.45 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1faf h GLU 15 CO 0.16 0.54 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.37 1faf h LEU 16 N 0.84 0.00 -0.15 1.64 -0.00 -1.52 -3.27 115.31 112.86 1faf h LEU 16 Ca 0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1faf h LEU 16 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1faf h LEU 16 CO -0.16 0.01 -0.32 0.18 -0.00 0.00 0.00 178.44 178.14 1faf n LEU 17 N -2.76 0.56 -1.39 1.67 7.99 0.10 -4.81 117.00 118.36 1faf n LEU 17 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.88 1faf n LEU 17 Cb 0.53 -0.24 -0.06 0.00 -0.11 0.00 0.00 43.42 43.53 1faf n LEU 17 CO 0.37 0.12 -0.14 0.29 -1.51 0.00 0.00 177.39 176.52 1faf n LYS 18 N -1.22 -1.35 -3.72 3.23 4.01 0.30 -4.70 118.16 114.71 1faf n LYS 18 Ca 0.09 0.86 -0.38 0.00 -0.51 0.00 0.00 58.31 58.36 1faf n LYS 18 Cb 0.33 -5.13 -0.12 0.00 -0.51 0.00 0.00 35.03 29.60 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 -3.85 4.51 1.09 -0.35 0.20 -1.17 -5.08 118.68 114.04 1faf s LEU 19 Ca 0.00 -1.22 -0.21 0.00 0.69 0.00 0.00 54.13 53.39 1faf s LEU 19 Cb 0.00 -1.89 0.04 0.00 -0.43 0.00 0.00 46.19 43.90 1faf s LEU 19 CO 0.00 -0.37 -0.34 -2.65 -0.29 0.00 0.00 176.35 172.70 1faf n PRO 20 N 4.83 -1.25 0.00 0.98 -0.02 -1.26 -4.75 135.00 133.53 1faf n PRO 20 Ca -0.12 -0.35 0.13 0.00 -2.02 0.00 0.00 63.50 61.15 1faf n PRO 20 Cb 0.44 -1.55 0.45 0.00 -0.02 0.00 0.00 33.50 32.82 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 -1.07 1.09 0.09 -0.52 1.85 -1.26 -3.79 116.66 113.05 1faf n ARG 21 Ca 0.00 -0.62 -0.08 0.00 -1.00 0.00 0.00 57.85 56.16 1faf n ARG 21 Cb 0.65 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.57 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1faf h GLN 22 N 1.50 0.14 -0.41 2.89 4.15 -2.05 -3.19 115.11 118.14 1faf h GLN 22 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1faf h GLN 22 Cb 0.49 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1faf h GLN 22 CO 0.00 0.92 0.00 1.47 -1.93 0.00 0.00 178.83 179.29 1faf n LEU 23 N -3.62 3.79 -4.55 -2.39 -0.00 -1.25 -4.96 117.00 104.01 1faf n LEU 23 Ca -0.03 -2.46 -0.32 0.00 -0.00 0.00 0.00 56.01 53.20 1faf n LEU 23 Cb 0.81 -0.44 -0.05 0.00 -0.00 0.00 0.00 43.42 43.74 1faf n LEU 23 CO 0.47 0.74 1.89 1.87 -0.00 0.00 0.00 177.39 182.36 1faf n TRP 24 N 0.36 1.26 0.00 1.47 -0.00 -1.21 -2.70 117.44 116.62 1faf n TRP 24 Ca 0.19 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1faf n TRP 24 Cb 0.72 -2.56 0.00 0.00 -0.00 0.00 0.00 31.31 29.47 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 6.20 0.35 3.55 5.87 0.00 -1.26 -5.09 105.19 114.81 1faf n GLY 25 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 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 6.15 0.25 1.61 -1.08 -1.10 -4.88 116.67 117.62 1faf s ASP 26 Ca 0.00 -0.36 -0.03 0.00 -0.52 0.00 0.00 52.55 51.64 1faf s ASP 26 Cb 0.00 -2.56 0.47 0.00 -1.46 0.00 0.00 42.92 39.37 1faf s ASP 26 CO 0.00 -1.83 1.77 0.15 0.52 0.00 0.00 175.17 175.78 1faf h PHE 27 N 10.18 0.73 -0.30 -5.34 3.57 -1.99 -0.73 116.94 123.07 1faf h PHE 27 Ca -0.28 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.28 1faf h PHE 27 Cb 1.06 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1faf h PHE 27 CO 1.12 0.20 0.20 0.78 -2.23 0.00 0.00 178.31 178.38 1faf h GLY 28 N 0.63 0.34 0.32 2.40 0.00 -1.99 -1.35 103.07 103.41 1faf h GLY 28 Ca 0.43 -0.12 -0.15 0.00 0.00 0.00 0.00 47.33 47.49 1faf h GLY 28 CO -0.33 0.11 -0.76 3.21 0.00 0.00 0.00 176.54 178.76 1faf h ARG 29 N 0.30 0.14 -0.98 4.80 3.08 -1.58 -2.78 114.38 117.36 1faf h ARG 29 Ca 0.12 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1faf h ARG 29 Cb 0.11 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1faf h ARG 29 CO -0.03 1.11 0.64 0.00 -1.07 0.00 0.00 179.97 180.63 1faf h MET 30 N -0.67 1.22 -0.19 0.04 -0.00 -1.16 -0.62 114.93 113.55 1faf h MET 30 Ca -0.17 -0.07 -0.16 0.00 -0.00 0.00 0.00 59.70 59.30 1faf h MET 30 Cb 1.40 -0.27 -0.01 0.00 -0.00 0.00 0.00 31.60 32.72 1faf h MET 30 CO 0.02 0.80 -0.55 0.37 -0.00 0.00 0.00 176.91 177.55 1faf h GLN 31 N 1.25 0.57 -0.35 -0.10 4.15 -1.39 0.33 115.11 119.58 1faf h GLN 31 Ca 0.38 -0.36 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1faf h GLN 31 Cb -0.03 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1faf h GLN 31 CO -0.11 0.97 0.04 1.96 -1.93 0.00 0.00 178.83 179.76 1faf h GLN 32 N 0.44 0.53 0.24 1.69 1.08 -1.06 -2.27 115.11 115.75 1faf h GLN 32 Ca 0.01 -0.10 -0.34 0.00 -1.45 0.00 0.00 58.65 56.77 1faf h GLN 32 Cb 1.10 -0.08 0.03 0.00 -0.05 0.00 0.00 27.48 28.48 1faf h GLN 32 CO 0.11 0.52 -1.53 0.00 -0.95 0.00 0.00 178.83 176.98 1faf h ALA 33 N 1.54 -0.08 -0.71 3.87 0.00 -0.97 -2.81 119.26 120.10 1faf h ALA 33 Ca 0.12 -0.92 0.11 0.00 0.00 0.00 0.00 54.91 54.21 1faf h ALA 33 Cb 0.27 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1faf h ALA 33 CO 0.00 0.78 0.32 -0.92 0.00 0.00 0.00 179.25 179.44 1faf h TYR 34 N 0.14 0.57 -0.19 0.00 5.03 -0.66 0.17 116.97 122.03 1faf h TYR 34 Ca -0.27 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 60.88 1faf h TYR 34 Cb 2.15 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 40.28 1faf h TYR 34 CO 0.12 0.17 -0.65 0.87 -1.32 0.00 0.00 178.16 177.35 1faf h LYS 35 N 0.54 0.72 -0.74 1.82 1.57 -1.52 0.14 116.57 119.10 1faf h LYS 35 Ca 0.36 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1faf h LYS 35 Cb 0.44 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1faf h LYS 35 CO -0.31 1.14 0.46 0.37 -0.57 0.00 0.00 179.45 180.53 1faf h GLN 36 N 0.52 0.99 0.00 3.15 4.15 -0.96 -2.03 115.11 120.94 1faf h GLN 36 Ca -0.02 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1faf h GLN 36 Cb 1.25 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 1faf h GLN 36 CO 0.13 0.69 -0.90 1.96 -1.93 0.00 0.00 178.83 178.78 1faf h GLN 37 N 1.01 0.00 0.00 1.69 1.08 -0.65 -3.33 115.11 114.92 1faf h GLN 37 Ca 0.27 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 1faf h GLN 37 Cb -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1faf h GLN 37 CO -0.05 0.02 -0.38 0.77 -0.95 0.00 0.00 178.83 178.23 1faf h SER 38 N 0.00 0.00 0.31 1.46 0.02 -0.00 -1.24 113.55 114.09 1faf h SER 38 Ca -0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1faf h SER 38 Cb 1.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1faf h SER 38 CO 0.00 0.38 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.37 1faf h LEU 39 N 0.00 0.36 0.00 5.07 3.38 -1.55 -2.10 115.31 120.47 1faf h LEU 39 Ca -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1faf h LEU 39 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1faf h LEU 39 CO 0.05 0.90 -0.46 0.17 0.09 0.00 0.00 178.44 179.18 1faf h LEU 40 N 0.23 0.00 -0.84 1.67 8.10 -1.64 -3.25 115.31 119.57 1faf h LEU 40 Ca -0.01 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1faf h LEU 40 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 1faf h LEU 40 CO 0.10 0.04 -0.32 0.18 -4.11 0.00 0.00 178.44 174.33 1faf n LEU 41 N -2.47 1.63 -4.68 0.17 4.77 -0.49 -4.09 117.00 111.85 1faf n LEU 41 Ca 0.03 -0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 55.04 1faf n LEU 41 Cb 0.48 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1faf n LEU 41 CO 0.36 0.30 0.85 -2.28 -1.33 0.00 0.00 177.39 175.29 1faf s HIS 42 N -2.42 3.41 0.58 -1.77 2.46 -0.80 -4.09 115.29 112.65 1faf s HIS 42 Ca 0.23 1.50 0.36 0.00 0.47 0.00 0.00 55.06 57.62 1faf s HIS 42 Cb 0.19 -3.24 1.37 0.00 -0.13 0.00 0.00 32.58 30.77 1faf s HIS 42 CO 0.52 -0.45 1.58 -1.35 -2.47 0.00 0.00 174.74 172.56 1faf h PRO 43 N 7.27 0.00 0.00 2.88 0.11 -1.83 0.74 132.00 141.17 1faf h PRO 43 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1faf h PRO 43 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1faf h PRO 43 CO 0.90 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.22 1faf n ASP 44 N -3.70 0.30 -0.67 -2.05 2.03 -1.26 -2.16 116.55 109.04 1faf n ASP 44 Ca 0.27 0.59 0.04 0.00 0.52 0.00 0.00 54.79 56.21 1faf n ASP 44 Cb 1.47 -0.65 0.20 0.00 -0.72 0.00 0.00 41.12 41.43 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1faf n LYS 45 N -1.85 1.63 -1.12 -0.67 4.76 0.26 -4.93 118.16 116.24 1faf n LYS 45 Ca 0.02 -3.21 -0.04 0.00 -2.87 0.00 0.00 58.31 52.21 1faf n LYS 45 Cb 0.16 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 31.68 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 -1.14 0.70 3.92 0.72 0.00 -0.92 -4.94 105.19 103.52 1faf n GLY 46 Ca 0.22 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.61 1.57 0.34 -0.02 0.00 -1.18 -4.98 107.32 100.44 1faf s GLY 47 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1faf s GLY 47 CO 0.00 -0.43 0.70 -0.56 0.00 0.00 0.00 173.10 172.81 1faf s SER 48 N -4.24 6.59 0.01 1.64 0.01 -1.26 -3.90 113.70 112.55 1faf s SER 48 Ca 0.51 1.08 -0.18 0.00 1.31 0.00 0.00 55.95 58.68 1faf s SER 48 Cb -0.10 -2.30 -0.31 0.00 0.21 0.00 0.00 66.02 63.51 1faf s SER 48 CO 0.45 -0.27 1.00 -0.74 0.41 0.00 0.00 173.24 174.09 1faf h HIS 49 N 1.76 0.81 -0.57 2.43 2.76 -1.98 -3.11 115.15 117.26 1faf h HIS 49 Ca -0.47 -0.56 0.05 0.00 -2.20 0.00 0.00 60.37 57.20 1faf h HIS 49 Cb 1.18 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 30.06 1faf h HIS 49 CO 0.61 1.42 0.38 0.00 -1.30 0.00 0.00 177.93 179.03 1faf h ALA 50 N 0.18 1.81 0.13 5.26 0.00 -1.95 -0.84 119.26 123.86 1faf h ALA 50 Ca -0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1faf h ALA 50 Cb 1.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1faf h ALA 50 CO 0.21 0.10 -0.06 -0.07 0.00 0.00 0.00 179.25 179.43 1faf h LEU 51 N 0.57 -0.15 -0.54 0.00 4.07 -1.92 -2.29 115.31 115.05 1faf h LEU 51 Ca 0.24 -0.40 0.06 0.00 0.08 0.00 0.00 57.88 57.87 1faf h LEU 51 Cb 0.24 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 1faf h LEU 51 CO -0.07 0.39 0.25 -0.03 -1.08 0.00 0.00 178.44 177.90 1faf h MET 52 N -0.77 0.46 0.00 1.13 4.05 -1.42 -1.05 114.93 117.32 1faf h MET 52 Ca -0.02 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 1faf h MET 52 Cb 0.54 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1faf h MET 52 CO 0.03 0.31 -0.25 -0.56 0.23 0.00 0.00 176.91 176.67 1faf h GLN 53 N 0.48 0.00 0.30 0.39 3.07 -1.24 -2.72 115.11 115.38 1faf h GLN 53 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.97 1faf h GLN 53 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1faf h GLN 53 CO -0.20 0.25 -0.14 0.93 0.09 0.00 0.00 178.83 179.76 1faf h GLU 54 N 0.00 -0.39 -0.99 0.06 4.39 -0.60 -2.85 114.58 114.21 1faf h GLU 54 Ca -0.00 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1faf h GLU 54 Cb 0.56 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.23 1faf h GLU 54 CO 0.03 -0.07 0.63 1.25 -1.16 0.00 0.00 179.01 179.70 1faf h LEU 55 N -0.75 1.00 -1.70 1.33 5.85 -1.35 -0.32 115.31 119.37 1faf h LEU 55 Ca -0.04 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1faf h LEU 55 Cb 0.50 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1faf h LEU 55 CO 0.07 0.62 0.30 0.78 -0.34 0.00 0.00 178.44 179.86 1faf h ASN 56 N 1.12 0.33 0.89 1.25 4.21 -1.45 0.70 115.58 122.62 1faf h ASN 56 Ca 0.44 -0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.73 1faf h ASN 56 Cb 0.24 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1faf h ASN 56 CO -0.19 0.22 -1.05 0.28 -1.29 0.00 0.00 177.43 175.40 1faf h SER 57 N 0.38 0.11 0.99 5.81 0.02 -0.85 -0.42 113.55 119.59 1faf h SER 57 Ca 0.19 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.81 1faf h SER 57 Cb 0.27 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1faf h SER 57 CO -0.05 1.08 -1.03 -0.07 -1.14 0.00 0.00 176.83 175.63 1faf h LEU 58 N 0.02 0.00 0.00 5.07 3.38 -0.12 -3.04 115.31 120.63 1faf h LEU 58 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1faf h LEU 58 Cb 1.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1faf h LEU 58 CO 0.15 0.97 -0.94 -0.25 0.09 0.00 0.00 178.44 178.45 1faf h TRP 59 N 0.00 0.00 0.21 1.13 2.91 0.29 -3.15 115.95 117.34 1faf h TRP 59 Ca -0.03 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 1faf h TRP 59 Cb 1.77 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.42 1faf h TRP 59 CO 0.00 0.09 -0.10 0.78 -1.03 0.00 0.00 178.44 178.18 1faf h GLY 60 N 3.95 -0.29 0.34 2.65 0.00 -1.10 -0.48 103.07 108.14 1faf h GLY 60 Ca -0.02 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1faf h GLY 60 CO 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 176.54 176.32 1faf h THR 61 N -0.66 0.61 -0.74 4.70 1.03 -1.73 0.36 112.91 116.48 1faf h THR 61 Ca -0.03 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.52 1faf h THR 61 Cb 0.21 0.61 -0.14 0.00 -1.07 0.00 0.00 68.15 67.76 1faf h THR 61 CO 0.05 0.00 -0.15 0.15 -0.01 0.00 0.00 175.52 175.55 1faf h PHE 62 N -0.08 -0.34 -0.80 0.00 3.57 -1.66 0.63 116.94 118.26 1faf h PHE 62 Ca 0.14 0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.83 1faf h PHE 62 Cb 0.29 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1faf h PHE 62 CO -0.31 -0.31 0.52 -0.22 -2.23 0.00 0.00 178.31 175.76 1faf h LYS 63 N 0.01 0.61 -1.02 1.11 3.64 0.79 -0.06 116.57 121.66 1faf h LYS 63 Ca 0.37 -0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.98 1faf h LYS 63 Cb 0.58 -0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.13 1faf h LYS 63 CO -0.75 0.40 0.61 1.15 -2.27 0.00 0.00 179.45 178.59 1faf h THR 64 N 0.63 0.46 0.01 1.00 2.02 0.10 0.77 112.91 117.91 1faf h THR 64 Ca 0.38 -0.16 -0.26 0.00 0.77 0.00 0.00 66.41 67.14 1faf h THR 64 Cb 0.62 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1faf h THR 64 CO -0.15 0.09 -1.39 -0.33 0.37 0.00 0.00 175.52 174.11 1faf h GLU 65 N 0.48 0.03 -0.87 6.66 4.39 -1.08 -3.34 114.58 120.85 1faf h GLU 65 Ca 0.67 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 60.41 1faf h GLU 65 Cb 1.41 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.01 1faf h GLU 65 CO -0.48 0.78 0.51 0.28 -1.16 0.00 0.00 179.01 178.94 1faf h VAL 66 N 0.01 0.94 -0.04 3.13 2.07 0.16 0.86 116.25 123.38 1faf h VAL 66 Ca -0.16 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1faf h VAL 66 Cb 1.91 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1faf h VAL 66 CO 0.11 0.16 -0.14 1.88 0.02 0.00 0.00 177.57 179.59 1faf h TYR 67 N 0.87 0.06 0.00 1.57 0.05 -1.11 -2.33 116.97 116.08 1faf h TYR 67 Ca 0.41 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.13 1faf h TYR 67 Cb 0.34 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1faf h TYR 67 CO -0.04 0.21 -1.19 0.09 -1.05 0.00 0.00 178.16 176.17 1faf n ASN 68 N -4.34 0.80 0.23 3.88 3.02 0.13 -4.03 115.26 114.95 1faf n ASN 68 Ca -0.02 0.32 0.10 0.00 -0.03 0.00 0.00 54.58 54.95 1faf n ASN 68 Cb 0.23 0.46 0.65 0.00 -0.61 0.00 0.00 39.78 40.51 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 0.00 0.00 3.41 8.10 0.12 0.11 115.31 127.06 1faf h LEU 69 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.94 1faf h LEU 69 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.40 1faf h LEU 69 CO 0.01 0.00 0.00 0.54 -4.11 0.00 0.00 178.44 174.88 1faf n ARG 70 N -4.51 0.84 -0.00 0.17 1.74 -1.22 -2.77 116.66 110.91 1faf n ARG 70 Ca -0.01 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.09 1faf n ARG 70 Cb 0.15 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 -0.97 1.50 -0.97 5.56 2.81 0.35 -4.77 117.12 120.64 1faf n MET 71 Ca 0.19 -0.03 -0.24 0.00 -1.81 0.00 0.00 57.70 55.81 1faf n MET 71 Cb 0.09 -1.00 -0.07 0.00 -0.71 0.00 0.00 33.22 31.53 1faf n MET 71 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1faf n ASN 72 N -1.51 6.05 -4.41 7.83 3.02 -0.88 -4.80 115.26 120.55 1faf n ASN 72 Ca -0.00 -2.40 -0.45 0.00 -0.03 0.00 0.00 54.58 51.70 1faf n ASN 72 Cb 0.10 -1.28 -0.02 0.00 -0.61 0.00 0.00 39.78 37.97 1faf n ASN 72 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1faf s LEU 73 N 0.09 5.60 -0.55 3.41 1.43 -1.26 -4.99 118.68 122.41 1faf s LEU 73 Ca 0.56 -2.46 -0.27 0.00 -1.03 0.00 0.00 54.13 50.93 1faf s LEU 73 Cb 0.19 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1faf s LEU 73 CO -0.03 -0.83 1.93 -0.83 0.23 0.00 0.00 176.35 176.82 1faf s GLY 74 N 2.97 0.20 0.00 -3.19 0.00 -1.26 -4.72 107.32 101.32 1faf s GLY 74 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.62 1faf s GLY 74 CO -0.08 3.50 0.00 0.61 0.00 0.00 0.00 173.10 177.13 1faf n GLY 75 N 5.70 -2.04 3.71 0.20 0.00 -1.26 -5.14 105.19 106.36 1faf n GLY 75 Ca 0.23 1.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.83 1faf n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1faf s THR 76 N 0.00 3.23 0.00 2.61 -4.23 -1.26 -4.16 115.64 111.84 1faf s THR 76 Ca 0.00 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1faf s THR 76 Cb 0.00 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1faf s THR 76 CO 0.00 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1faf n GLY 77 N 3.54 1.20 3.58 3.99 0.00 -1.26 -4.95 105.19 111.29 1faf n GLY 77 Ca 0.12 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1faf n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1faf s PHE 78 N 0.00 3.19 -2.83 1.61 0.08 -1.26 -5.31 117.98 113.46 1faf s PHE 78 Ca 0.00 0.37 0.25 0.00 0.12 0.00 0.00 56.93 57.68 1faf s PHE 78 Cb 0.00 -2.95 0.48 0.00 -0.57 0.00 0.00 43.02 39.97 1faf s PHE 78 CO 0.00 -0.50 1.42 1.04 -0.10 0.00 0.00 175.22 177.08