#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 6.79 -0.94 7.83 1.01 -1.26 -4.95 116.67 125.15 1faf s ASP 2 Ca 0.00 2.06 -0.15 0.00 0.71 0.00 0.00 52.55 55.17 1faf s ASP 2 Cb 0.00 -2.54 0.19 0.00 1.01 0.00 0.00 42.92 41.58 1faf s ASP 2 CO 0.00 -0.83 1.01 -0.60 0.21 0.00 0.00 175.17 174.96 1faf s ARG 3 N 3.44 3.73 -0.04 8.23 3.52 -1.26 -4.98 118.95 131.59 1faf s ARG 3 Ca 0.66 -2.32 -0.00 0.00 -0.13 0.00 0.00 55.73 53.94 1faf s ARG 3 Cb -0.30 -4.69 0.03 0.00 -1.56 0.00 0.00 34.95 28.43 1faf s ARG 3 CO 0.25 -1.51 0.00 0.14 -0.81 0.00 0.00 175.30 173.37 1faf s VAL 4 N 1.04 0.23 0.09 7.11 -7.23 -1.26 -4.86 120.40 115.52 1faf s VAL 4 Ca 0.27 0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.38 1faf s VAL 4 Cb -0.07 -0.35 -0.07 0.00 0.56 0.00 0.00 36.38 36.45 1faf s VAL 4 CO -0.08 0.19 0.55 -1.48 -0.31 0.00 0.00 175.10 173.97 1faf s LEU 5 N 1.36 4.47 0.00 1.32 2.34 -1.26 -5.09 118.68 121.81 1faf s LEU 5 Ca -0.05 1.19 -0.04 0.00 0.06 0.00 0.00 54.13 55.29 1faf s LEU 5 Cb -0.13 -2.99 0.08 0.00 -0.56 0.00 0.00 46.19 42.59 1faf s LEU 5 CO -0.02 0.22 0.52 -1.54 -1.06 0.00 0.00 176.35 174.47 1faf n SER 6 N 1.44 0.32 -0.19 1.48 3.41 -1.26 -4.79 113.62 114.03 1faf n SER 6 Ca -0.09 -1.36 0.06 0.00 -0.26 0.00 0.00 58.87 57.23 1faf n SER 6 Cb 0.51 -0.37 0.35 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.74 -0.65 4.33 0.11 -1.99 -1.39 114.38 115.53 1faf h ARG 7 Ca -0.17 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 59.81 1faf h ARG 7 Cb 0.54 -0.17 -0.03 0.00 1.11 0.00 0.00 29.97 31.42 1faf h ARG 7 CO 0.15 0.49 0.20 0.00 0.10 0.00 0.00 179.97 180.91 1faf h ALA 8 N 1.60 0.85 0.81 0.08 0.00 -1.97 -0.68 119.26 119.95 1faf h ALA 8 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1faf h ALA 8 Cb 0.26 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1faf h ALA 8 CO -0.11 0.52 -0.39 -0.44 0.00 0.00 0.00 179.25 178.84 1faf h ASP 9 N 0.94 -0.92 -0.76 0.00 5.19 -1.62 0.70 116.42 119.95 1faf h ASP 9 Ca 0.21 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.79 1faf h ASP 9 Cb 0.30 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.99 1faf h ASP 9 CO -0.01 -0.57 0.50 0.07 -3.12 0.00 0.00 179.24 176.12 1faf h LYS 10 N -1.27 0.42 -0.27 3.56 5.09 -1.41 0.71 116.57 123.41 1faf h LYS 10 Ca -0.11 -0.03 -0.18 0.00 0.09 0.00 0.00 60.65 60.42 1faf h LYS 10 Cb 0.84 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.08 1faf h LYS 10 CO 0.18 0.28 -0.55 0.93 -2.09 0.00 0.00 179.45 178.20 1faf h GLU 11 N 0.43 0.85 -0.36 0.07 4.39 -0.92 -1.96 114.58 117.08 1faf h GLU 11 Ca 0.37 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1faf h GLU 11 Cb 0.83 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1faf h GLU 11 CO -0.12 1.19 0.09 -0.09 -1.16 0.00 0.00 179.01 178.92 1faf h ARG 12 N 0.62 0.58 0.00 2.33 1.12 0.37 -1.50 114.38 117.90 1faf h ARG 12 Ca 0.01 -0.14 -0.01 0.00 -1.11 0.00 0.00 59.98 58.73 1faf h ARG 12 Cb 1.17 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 31.05 1faf h ARG 12 CO 0.12 0.62 -0.02 1.25 -3.11 0.00 0.00 179.97 178.83 1faf h LEU 13 N 0.44 0.00 -0.11 3.80 5.85 0.31 -2.02 115.31 123.58 1faf h LEU 13 Ca 0.11 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.60 1faf h LEU 13 Cb 0.30 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1faf h LEU 13 CO 0.00 0.02 -0.88 -0.07 -0.34 0.00 0.00 178.44 177.17 1faf h LEU 14 N 0.00 0.90 0.18 2.25 3.38 -0.72 -2.27 115.31 119.02 1faf h LEU 14 Ca -0.00 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1faf h LEU 14 Cb 0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1faf h LEU 14 CO 0.00 1.44 -0.30 -0.33 0.09 0.00 0.00 178.44 179.34 1faf h GLU 15 N 0.46 -0.54 0.00 1.13 5.08 -0.54 0.64 114.58 120.82 1faf h GLU 15 Ca -0.08 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1faf h GLU 15 Cb 1.52 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1faf h GLU 15 CO 0.18 -0.36 0.00 1.28 -1.00 0.00 0.00 179.01 179.11 1faf n LEU 16 N -5.41 0.71 -0.06 1.33 4.32 -1.12 -2.22 117.00 114.55 1faf n LEU 16 Ca -0.07 0.66 0.12 0.00 -0.02 0.00 0.00 56.01 56.70 1faf n LEU 16 Cb 0.32 -0.55 0.28 0.00 -1.62 0.00 0.00 43.42 41.85 1faf n LEU 16 CO 0.25 -0.53 0.50 0.18 -1.22 0.00 0.00 177.39 176.57 1faf n LEU 17 N -2.27 0.64 -1.48 2.23 7.99 -0.32 -4.81 117.00 118.98 1faf n LEU 17 Ca 0.02 -0.07 -0.14 0.00 -0.01 0.00 0.00 56.01 55.81 1faf n LEU 17 Cb 0.25 -0.21 -0.06 0.00 -0.11 0.00 0.00 43.42 43.29 1faf n LEU 17 CO 0.21 0.14 -0.14 0.29 -1.51 0.00 0.00 177.39 176.39 1faf n LYS 18 N -1.29 -1.36 -3.76 3.23 5.02 0.07 -4.68 118.16 115.39 1faf n LYS 18 Ca 0.07 0.83 -0.37 0.00 -2.02 0.00 0.00 58.31 56.82 1faf n LYS 18 Cb 0.34 -5.11 -0.12 0.00 -0.02 0.00 0.00 35.03 30.11 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1faf s LEU 19 N -4.00 4.56 1.07 -0.35 0.20 -1.09 -5.07 118.68 114.00 1faf s LEU 19 Ca 0.00 -1.41 -0.17 0.00 0.69 0.00 0.00 54.13 53.24 1faf s LEU 19 Cb 0.00 -1.85 0.07 0.00 -0.43 0.00 0.00 46.19 43.98 1faf s LEU 19 CO 0.00 -0.39 0.04 -2.65 -0.29 0.00 0.00 176.35 173.06 1faf n PRO 20 N 4.75 -1.14 0.00 0.98 -0.02 -1.26 -4.71 135.00 133.60 1faf n PRO 20 Ca -0.10 -0.31 0.13 0.00 -2.02 0.00 0.00 63.50 61.20 1faf n PRO 20 Cb 0.43 -1.70 0.46 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.69 0.13 -0.02 -0.52 1.85 -1.26 -3.72 116.66 111.44 1faf n ARG 21 Ca 0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 57.85 56.75 1faf n ARG 21 Cb 0.60 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.62 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 0.12 0.60 -0.65 2.89 4.15 -2.05 -2.92 115.11 117.25 1faf h GLN 22 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1faf h GLN 22 Cb 0.48 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1faf h GLN 22 CO 0.00 0.88 0.00 1.47 -1.93 0.00 0.00 178.83 179.25 1faf n LEU 23 N -4.05 3.92 -4.48 -2.39 -0.00 -1.25 -4.97 117.00 103.79 1faf n LEU 23 Ca -0.01 -2.09 -0.49 0.00 -0.00 0.00 0.00 56.01 53.41 1faf n LEU 23 Cb 0.50 -0.46 -0.06 0.00 -0.00 0.00 0.00 43.42 43.39 1faf n LEU 23 CO 0.45 0.91 1.81 1.87 -0.00 0.00 0.00 177.39 182.43 1faf n TRP 24 N 1.34 1.68 0.00 1.47 -0.00 -1.10 -2.61 117.44 118.21 1faf n TRP 24 Ca 0.23 0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.92 1faf n TRP 24 Cb 0.64 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 29.38 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 6.36 1.06 3.55 5.87 0.00 -1.26 -5.09 105.19 115.68 1faf n GLY 25 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 6.23 0.14 1.61 2.15 -1.07 -4.90 116.67 120.83 1faf s ASP 26 Ca 0.00 -0.33 -0.21 0.00 0.43 0.00 0.00 52.55 52.43 1faf s ASP 26 Cb 0.00 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1faf s ASP 26 CO 0.00 -1.74 1.66 0.15 -0.17 0.00 0.00 175.17 175.07 1faf h PHE 27 N 9.90 -0.41 -0.47 -5.34 3.57 -1.99 0.37 116.94 122.58 1faf h PHE 27 Ca -0.27 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.39 1faf h PHE 27 Cb 1.05 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1faf h PHE 27 CO 1.10 -0.23 0.37 0.78 -2.23 0.00 0.00 178.31 178.10 1faf h GLY 28 N -0.17 0.00 0.00 2.40 0.00 -1.99 0.56 103.07 103.87 1faf h GLY 28 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1faf h GLY 28 CO -0.30 0.00 -0.09 -0.09 0.00 0.00 0.00 176.54 176.06 1faf h ARG 29 N 0.00 0.00 -0.54 4.80 9.65 -1.51 -2.85 114.38 123.93 1faf h ARG 29 Ca 0.22 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 1faf h ARG 29 Cb 0.95 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.48 1faf h ARG 29 CO -0.00 0.53 0.25 0.00 2.80 0.00 0.00 179.97 183.54 1faf h MET 30 N -1.00 0.45 -0.61 0.20 -0.00 -0.65 -1.52 114.93 111.80 1faf h MET 30 Ca -0.02 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.60 1faf h MET 30 Cb 0.57 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 32.04 1faf h MET 30 CO -0.01 0.30 0.18 0.37 -0.00 0.00 0.00 176.91 177.75 1faf h GLN 31 N 0.47 0.93 -0.52 -0.10 4.15 -1.05 0.30 115.11 119.29 1faf h GLN 31 Ca 0.25 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1faf h GLN 31 Cb 0.21 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1faf h GLN 31 CO -0.20 0.81 0.30 0.37 -1.93 0.00 0.00 178.83 178.18 1faf h GLN 32 N 0.90 0.58 0.05 1.69 4.15 -1.05 -1.10 115.11 120.33 1faf h GLN 32 Ca 0.20 -0.03 -0.26 0.00 0.77 0.00 0.00 58.65 59.33 1faf h GLN 32 Cb 0.28 -0.13 0.02 0.00 0.21 0.00 0.00 27.48 27.86 1faf h GLN 32 CO -0.01 0.38 -1.03 0.00 -1.93 0.00 0.00 178.83 176.24 1faf h ALA 33 N 1.24 0.06 -0.63 3.38 0.00 -1.07 -2.52 119.26 119.73 1faf h ALA 33 Ca 0.21 -0.70 0.11 0.00 0.00 0.00 0.00 54.91 54.53 1faf h ALA 33 Cb 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1faf h ALA 33 CO -0.11 0.62 0.20 -0.92 0.00 0.00 0.00 179.25 179.05 1faf h TYR 34 N 0.24 0.35 -0.16 0.00 5.03 -0.17 0.45 116.97 122.71 1faf h TYR 34 Ca -0.14 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.05 1faf h TYR 34 Cb 1.71 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.92 1faf h TYR 34 CO 0.12 0.05 -0.53 0.87 -1.32 0.00 0.00 178.16 177.35 1faf h LYS 35 N 0.36 0.45 -0.56 1.82 1.57 -1.27 0.15 116.57 119.09 1faf h LYS 35 Ca 0.33 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1faf h LYS 35 Cb 0.46 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1faf h LYS 35 CO -0.36 0.86 -0.00 1.96 -0.57 0.00 0.00 179.45 181.34 1faf h GLN 36 N 0.35 0.99 0.00 3.15 4.20 -0.63 -1.68 115.11 121.49 1faf h GLN 36 Ca 0.01 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.33 1faf h GLN 36 Cb 1.04 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1faf h GLN 36 CO 0.09 0.99 -0.59 1.96 -0.67 0.00 0.00 178.83 180.61 1faf h GLN 37 N 0.88 0.00 -0.03 1.46 1.08 -0.11 -3.26 115.11 115.12 1faf h GLN 37 Ca 0.16 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.19 1faf h GLN 37 Cb 0.55 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1faf h GLN 37 CO 0.03 0.26 -0.72 0.66 -0.95 0.00 0.00 178.83 178.11 1faf h SER 38 N 0.00 0.23 0.56 1.46 4.64 -0.52 -1.61 113.55 118.32 1faf h SER 38 Ca -0.03 -0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 1faf h SER 38 Cb 1.26 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1faf h SER 38 CO 0.04 0.87 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.28 1faf h LEU 39 N 0.13 0.00 0.00 5.97 3.38 -1.36 -2.18 115.31 121.26 1faf h LEU 39 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1faf h LEU 39 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1faf h LEU 39 CO 0.11 0.52 -0.76 0.17 0.09 0.00 0.00 178.44 178.57 1faf h LEU 40 N 0.00 0.00 -0.85 1.67 8.10 -1.58 -3.30 115.31 119.35 1faf h LEU 40 Ca -0.01 -0.23 0.00 0.00 0.11 0.00 0.00 57.88 57.75 1faf h LEU 40 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.16 1faf h LEU 40 CO 0.07 0.12 -0.32 0.18 -4.11 0.00 0.00 178.44 174.38 1faf n LEU 41 N -2.13 1.64 -4.70 0.17 4.77 -0.62 -4.21 117.00 111.92 1faf n LEU 41 Ca 0.03 -0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 1faf n LEU 41 Cb 0.45 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1faf n LEU 41 CO 0.38 0.30 1.19 -2.28 -1.33 0.00 0.00 177.39 175.65 1faf s HIS 42 N -2.42 2.83 0.48 -1.77 2.46 -0.84 -3.79 115.29 112.24 1faf s HIS 42 Ca 0.23 0.65 0.34 0.00 0.47 0.00 0.00 55.06 56.75 1faf s HIS 42 Cb 0.19 -3.81 1.47 0.00 -0.13 0.00 0.00 32.58 30.31 1faf s HIS 42 CO 0.51 -3.06 1.67 -1.35 -2.47 0.00 0.00 174.74 170.05 1faf h PRO 43 N 7.61 0.09 0.00 2.88 0.11 -1.86 1.09 132.00 141.93 1faf h PRO 43 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1faf h PRO 43 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1faf h PRO 43 CO 0.90 0.06 0.00 -3.47 -0.21 0.00 0.00 178.00 175.29 1faf n ASP 44 N -4.40 0.14 -1.27 -2.05 2.03 -1.26 -2.56 116.55 107.18 1faf n ASP 44 Ca 0.34 0.53 -0.07 0.00 0.52 0.00 0.00 54.79 56.12 1faf n ASP 44 Cb 1.44 -0.56 0.18 0.00 -0.72 0.00 0.00 41.12 41.46 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 -1.65 1.98 -1.42 -0.67 4.76 0.38 -4.91 118.16 116.62 1faf n LYS 45 Ca 0.03 -3.28 -0.15 0.00 -2.87 0.00 0.00 58.31 52.05 1faf n LYS 45 Cb 0.19 -1.86 -0.06 0.00 -1.84 0.00 0.00 35.03 31.46 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 -1.09 1.49 3.97 0.72 0.00 -1.06 -4.88 105.19 104.34 1faf n GLY 46 Ca 0.35 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.80 1.82 0.01 -0.02 0.00 -1.16 -5.01 107.32 100.15 1faf s GLY 47 Ca 0.00 -1.31 -0.19 0.00 0.00 0.00 0.00 44.72 43.22 1faf s GLY 47 CO 0.00 -1.00 0.54 -0.56 0.00 0.00 0.00 173.10 172.08 1faf s SER 48 N -4.44 6.95 0.18 1.64 0.01 -1.25 -4.20 113.70 112.59 1faf s SER 48 Ca 0.58 1.13 0.01 0.00 1.31 0.00 0.00 55.95 58.98 1faf s SER 48 Cb -0.10 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.85 1faf s SER 48 CO 0.39 0.19 1.42 1.12 0.41 0.00 0.00 173.24 176.78 1faf h HIS 49 N 5.19 0.39 0.00 2.43 2.07 -1.97 -3.00 115.15 120.27 1faf h HIS 49 Ca -0.47 -0.19 -0.01 0.00 -2.85 0.00 0.00 60.37 56.85 1faf h HIS 49 Cb 1.21 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 31.13 1faf h HIS 49 CO 0.67 0.95 -0.03 0.00 -3.07 0.00 0.00 177.93 176.46 1faf h ALA 50 N 0.99 1.07 0.00 6.11 0.00 -1.94 -2.37 119.26 123.12 1faf h ALA 50 Ca -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1faf h ALA 50 Cb 1.37 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1faf h ALA 50 CO 0.13 0.03 -0.78 -0.07 0.00 0.00 0.00 179.25 178.56 1faf h LEU 51 N 0.00 0.00 -2.04 0.00 4.07 -1.90 -3.15 115.31 112.30 1faf h LEU 51 Ca -0.00 -0.64 0.08 0.00 0.08 0.00 0.00 57.88 57.39 1faf h LEU 51 Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1faf h LEU 51 CO 0.00 1.28 0.20 -0.03 -1.08 0.00 0.00 178.44 178.81 1faf h MET 52 N -1.00 0.00 0.06 1.13 4.05 -1.41 -0.47 114.93 117.29 1faf h MET 52 Ca -0.21 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 58.97 1faf h MET 52 Cb 1.14 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1faf h MET 52 CO -0.13 0.00 -1.11 -0.56 0.23 0.00 0.00 176.91 175.35 1faf h GLN 53 N 0.00 0.12 -0.19 0.39 -0.00 -1.57 -2.99 115.11 110.87 1faf h GLN 53 Ca 0.12 -0.21 -0.09 0.00 -0.00 0.00 0.00 58.65 58.48 1faf h GLN 53 Cb 0.52 0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 28.08 1faf h GLN 53 CO -0.00 1.10 -0.21 1.49 -0.00 0.00 0.00 178.83 181.20 1faf h GLU 54 N 0.03 0.48 -0.68 0.06 4.22 -1.08 -2.73 114.58 114.88 1faf h GLU 54 Ca -0.07 -0.26 -0.00 0.00 0.08 0.00 0.00 59.36 59.11 1faf h GLU 54 Cb 1.86 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 1faf h GLU 54 CO 0.16 0.85 0.41 1.25 -2.18 0.00 0.00 179.01 179.50 1faf h LEU 55 N 0.15 0.83 -1.79 1.64 5.85 -1.34 -1.37 115.31 119.29 1faf h LEU 55 Ca 0.03 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1faf h LEU 55 Cb 0.77 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1faf h LEU 55 CO 0.05 0.65 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.56 1faf h ASN 56 N 0.93 0.00 0.33 1.25 -0.73 -1.51 0.11 115.58 115.96 1faf h ASN 56 Ca 0.24 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 58.18 1faf h ASN 56 Cb -0.02 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.57 1faf h ASN 56 CO -0.05 0.11 -1.01 0.28 -0.37 0.00 0.00 177.43 176.40 1faf h SER 57 N 0.00 0.57 1.72 1.15 0.02 -1.01 -1.35 113.55 114.65 1faf h SER 57 Ca -0.00 -0.48 -0.05 0.00 -0.84 0.00 0.00 61.79 60.42 1faf h SER 57 Cb 0.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1faf h SER 57 CO 0.01 1.29 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.70 1faf h LEU 58 N 0.23 0.00 0.00 5.07 3.38 -0.61 -3.10 115.31 120.27 1faf h LEU 58 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1faf h LEU 58 Cb 1.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1faf h LEU 58 CO 0.18 0.22 -1.16 1.87 0.09 0.00 0.00 178.44 179.64 1faf n TRP 59 N -3.17 0.96 0.09 1.13 -0.00 0.31 -3.25 117.44 113.52 1faf n TRP 59 Ca 0.03 0.29 -0.04 0.00 -0.00 0.00 0.00 57.50 57.78 1faf n TRP 59 Cb 0.61 -1.00 -0.02 0.00 -0.00 0.00 0.00 31.31 30.90 1faf n TRP 59 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1faf h GLY 60 N 3.90 -0.29 0.34 5.87 0.00 -1.22 -1.10 103.07 110.58 1faf h GLY 60 Ca -0.06 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1faf h GLY 60 CO 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 176.54 176.29 1faf h THR 61 N -0.63 0.56 -0.85 4.70 1.03 -1.75 0.71 112.91 116.69 1faf h THR 61 Ca -0.03 0.00 0.18 0.00 -0.01 0.00 0.00 66.41 66.56 1faf h THR 61 Cb 0.21 0.56 -0.16 0.00 -1.07 0.00 0.00 68.15 67.69 1faf h THR 61 CO 0.05 0.00 -0.13 0.15 -0.01 0.00 0.00 175.52 175.58 1faf h PHE 62 N -0.15 -0.30 -0.94 0.00 3.57 -1.67 0.82 116.94 118.27 1faf h PHE 62 Ca 0.12 0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.82 1faf h PHE 62 Cb 0.34 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 1faf h PHE 62 CO -0.31 -0.35 0.56 -0.22 -2.23 0.00 0.00 178.31 175.76 1faf h LYS 63 N 0.02 0.83 -1.06 1.11 3.64 0.48 0.92 116.57 122.51 1faf h LYS 63 Ca 0.44 -0.05 0.28 0.00 -1.27 0.00 0.00 60.65 60.05 1faf h LYS 63 Cb 0.73 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.26 1faf h LYS 63 CO -0.83 0.55 0.67 1.15 -2.27 0.00 0.00 179.45 178.71 1faf h THR 64 N 0.86 0.47 0.04 1.00 2.02 0.14 0.91 112.91 118.34 1faf h THR 64 Ca 0.48 -0.13 -0.27 0.00 0.77 0.00 0.00 66.41 67.25 1faf h THR 64 Cb 0.54 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1faf h THR 64 CO -0.29 0.07 -1.45 -0.33 0.37 0.00 0.00 175.52 173.89 1faf h GLU 65 N 0.39 0.08 -0.98 6.66 4.39 -0.88 -3.33 114.58 120.91 1faf h GLU 65 Ca 0.64 -0.14 0.15 0.00 0.34 0.00 0.00 59.36 60.35 1faf h GLU 65 Cb 1.58 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 30.19 1faf h GLU 65 CO -0.36 0.86 0.62 0.28 -1.16 0.00 0.00 179.01 179.24 1faf h VAL 66 N 0.02 0.82 -0.44 3.13 2.07 0.29 0.74 116.25 122.89 1faf h VAL 66 Ca -0.19 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1faf h VAL 66 Cb 1.94 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1faf h VAL 66 CO 0.12 0.15 -0.06 0.22 0.02 0.00 0.00 177.57 178.02 1faf h TYR 67 N 0.83 0.80 0.00 1.57 5.03 -1.17 -2.66 116.97 121.38 1faf h TYR 67 Ca 0.52 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.70 1faf h TYR 67 Cb 0.71 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1faf h TYR 67 CO -0.00 0.78 -0.52 0.27 -1.32 0.00 0.00 178.16 177.37 1faf n ASN 68 N -4.19 0.53 0.03 -2.11 0.23 0.08 -3.91 115.26 105.92 1faf n ASN 68 Ca 0.02 -0.07 0.01 0.00 -0.53 0.00 0.00 54.58 54.01 1faf n ASN 68 Cb 0.33 0.18 0.35 0.00 -2.08 0.00 0.00 39.78 38.56 1faf n ASN 68 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 1faf h LEU 69 N 0.00 0.41 0.00 -4.53 8.10 0.77 0.05 115.31 120.11 1faf h LEU 69 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1faf h LEU 69 Cb 0.59 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1faf h LEU 69 CO 0.00 0.46 0.00 0.54 -4.11 0.00 0.00 178.44 175.33 1faf n ARG 70 N -4.32 0.76 0.02 0.17 1.74 -1.24 -3.85 116.66 109.94 1faf n ARG 70 Ca 0.01 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 1faf n ARG 70 Cb 0.21 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.09 -1.99 5.56 2.81 -0.45 -4.99 117.12 117.20 1faf n MET 71 Ca 0.16 0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.66 1faf n MET 71 Cb 0.08 -0.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.90 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 -5.88 6.37 0.06 7.83 -0.87 -0.12 -4.79 114.94 117.53 1faf s ASN 72 Ca -0.05 1.91 0.00 0.00 -1.57 0.00 0.00 52.86 53.14 1faf s ASN 72 Cb 0.01 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 1faf s ASN 72 CO 0.07 -1.22 0.00 -0.11 -2.57 0.00 0.00 177.10 173.27 1faf n LEU 73 N 8.35 0.15 0.00 0.60 0.00 -1.26 -4.81 117.00 120.03 1faf n LEU 73 Ca 0.20 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.30 1faf n LEU 73 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.87 1faf n LEU 73 CO 0.65 -0.58 0.00 0.61 0.00 0.00 0.00 177.39 178.06 1faf n GLY 74 N 2.58 3.57 0.00 -3.96 0.00 -1.26 -5.17 105.19 100.94 1faf n GLY 74 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.81 3.60 -0.02 0.00 -1.26 -5.12 105.19 104.19 1faf n GLY 75 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1faf n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1faf s THR 76 N 0.00 4.86 0.00 2.61 2.01 -1.26 -4.84 115.64 119.03 1faf s THR 76 Ca 0.00 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1faf s THR 76 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1faf s THR 76 CO 0.00 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 1faf n GLY 77 N 4.43 -1.75 3.79 4.40 0.00 -1.26 -5.17 105.19 109.63 1faf n GLY 77 Ca 0.01 0.73 -0.30 0.00 0.00 0.00 0.00 46.02 46.46 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 2.71 0.00 1.61 0.40 -1.26 -5.34 117.98 116.11 1faf s PHE 78 Ca 0.00 1.16 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1faf s PHE 78 Cb 0.00 -3.14 0.00 0.00 0.51 0.00 0.00 43.02 40.39 1faf s PHE 78 CO 0.00 -1.92 0.00 0.94 0.70 0.00 0.00 175.22 174.94