#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 6.62 -0.97 7.83 1.01 -1.26 -4.96 116.67 124.94 1faf s ASP 2 Ca 0.00 2.79 -0.03 0.00 0.71 0.00 0.00 52.55 56.02 1faf s ASP 2 Cb 0.00 -2.65 0.27 0.00 1.01 0.00 0.00 42.92 41.54 1faf s ASP 2 CO 0.00 -0.65 1.07 0.54 0.21 0.00 0.00 175.17 176.34 1faf n ARG 3 N 0.66 3.39 -4.99 8.23 1.74 -1.26 -5.01 116.66 119.41 1faf n ARG 3 Ca 0.00 -4.53 -0.30 0.00 -0.77 0.00 0.00 57.85 52.25 1faf n ARG 3 Cb 0.41 -2.45 -0.17 0.00 -1.02 0.00 0.00 32.46 29.23 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 -1.94 1.85 0.31 1.55 -7.23 -1.26 -4.74 120.40 108.94 1faf s VAL 4 Ca 0.31 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 1faf s VAL 4 Cb -0.01 -1.62 -0.08 0.00 0.56 0.00 0.00 36.38 35.23 1faf s VAL 4 CO -0.03 0.51 0.69 -1.48 -0.31 0.00 0.00 175.10 174.48 1faf s LEU 5 N 0.49 4.04 0.00 1.32 2.34 -1.26 -5.09 118.68 120.52 1faf s LEU 5 Ca -0.16 1.13 -0.02 0.00 0.06 0.00 0.00 54.13 55.14 1faf s LEU 5 Cb -0.17 -3.94 0.11 0.00 -0.56 0.00 0.00 46.19 41.63 1faf s LEU 5 CO 0.06 -0.21 0.75 -1.54 -1.06 0.00 0.00 176.35 174.35 1faf n SER 6 N -0.53 0.79 -0.09 1.48 3.41 -1.26 -4.83 113.62 112.58 1faf n SER 6 Ca 0.02 -1.72 0.14 0.00 -0.26 0.00 0.00 58.87 57.05 1faf n SER 6 Cb 0.53 -0.51 0.52 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.36 -0.18 4.33 0.11 -1.99 -1.78 114.38 115.22 1faf h ARG 7 Ca -0.25 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.77 1faf h ARG 7 Cb 0.86 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 1faf h ARG 7 CO 0.25 0.24 -0.06 0.00 0.10 0.00 0.00 179.97 180.49 1faf h ALA 8 N 1.69 0.25 0.95 0.08 0.00 -1.97 -1.86 119.26 118.40 1faf h ALA 8 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1faf h ALA 8 Cb 0.66 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1faf h ALA 8 CO -0.08 0.04 -0.48 -0.44 0.00 0.00 0.00 179.25 178.29 1faf h ASP 9 N 0.06 -1.16 -0.93 0.00 3.32 -1.69 0.92 116.42 116.95 1faf h ASP 9 Ca 0.04 0.05 0.16 0.00 0.02 0.00 0.00 57.03 57.30 1faf h ASP 9 Cb 0.51 0.31 -0.08 0.00 0.22 0.00 0.00 39.33 40.30 1faf h ASP 9 CO 0.02 -0.80 0.59 0.07 -1.72 0.00 0.00 179.24 177.41 1faf h LYS 10 N -1.31 0.69 -0.15 3.56 5.09 -1.53 0.99 116.57 123.91 1faf h LYS 10 Ca -0.13 -0.04 -0.15 0.00 0.09 0.00 0.00 60.65 60.42 1faf h LYS 10 Cb 1.01 -0.15 -0.01 0.00 0.10 0.00 0.00 32.23 33.18 1faf h LYS 10 CO 0.20 0.45 -0.53 1.49 -2.09 0.00 0.00 179.45 178.97 1faf h GLU 11 N 0.71 0.43 -0.14 0.07 4.81 -0.99 -2.70 114.58 116.76 1faf h GLU 11 Ca 0.48 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 59.23 1faf h GLU 11 Cb 0.78 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.20 1faf h GLU 11 CO -0.24 0.85 -0.79 -0.09 -0.73 0.00 0.00 179.01 178.02 1faf h ARG 12 N 0.33 0.78 -0.96 1.92 2.43 0.49 -2.84 114.38 116.52 1faf h ARG 12 Ca 0.01 -0.65 0.04 0.00 -0.81 0.00 0.00 59.98 58.56 1faf h ARG 12 Cb 1.04 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 1faf h ARG 12 CO 0.09 1.25 0.62 1.25 -1.51 0.00 0.00 179.97 181.68 1faf h LEU 13 N 0.51 1.04 -0.45 3.80 5.85 0.85 -2.32 115.31 124.58 1faf h LEU 13 Ca -0.06 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1faf h LEU 13 Cb 1.42 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1faf h LEU 13 CO 0.16 0.71 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.81 1faf h LEU 14 N 1.21 0.86 -2.02 2.25 3.38 -1.48 -1.48 115.31 118.03 1faf h LEU 14 Ca 0.38 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 58.14 1faf h LEU 14 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1faf h LEU 14 CO -0.12 1.01 0.38 -0.33 0.09 0.00 0.00 178.44 179.47 1faf h GLU 15 N 0.69 0.00 0.00 1.13 4.39 -1.17 0.28 114.58 119.90 1faf h GLU 15 Ca 0.12 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1faf h GLU 15 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1faf h GLU 15 CO 0.04 0.00 -1.29 1.28 -1.16 0.00 0.00 179.01 177.88 1faf n LEU 16 N -4.25 0.86 -0.36 1.33 4.77 -1.01 -3.89 117.00 114.44 1faf n LEU 16 Ca 0.09 0.36 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 1faf n LEU 16 Cb 0.60 0.03 0.46 0.00 -2.33 0.00 0.00 43.42 42.18 1faf n LEU 16 CO 0.35 0.04 0.77 0.18 -1.33 0.00 0.00 177.39 177.40 1faf n LEU 17 N -2.82 1.25 -1.45 2.23 4.32 0.69 -4.89 117.00 116.33 1faf n LEU 17 Ca -0.07 -0.38 -0.13 0.00 -0.02 0.00 0.00 56.01 55.41 1faf n LEU 17 Cb 0.75 -0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 42.43 1faf n LEU 17 CO 0.42 0.22 -0.13 0.29 -1.22 0.00 0.00 177.39 176.97 1faf n LYS 18 N -0.23 -1.34 -3.66 3.23 5.02 0.50 -4.84 118.16 116.84 1faf n LYS 18 Ca 0.16 0.79 -0.39 0.00 -2.02 0.00 0.00 58.31 56.84 1faf n LYS 18 Cb 0.35 -5.06 -0.11 0.00 -0.02 0.00 0.00 35.03 30.19 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 -3.88 4.70 1.04 -0.35 0.20 -1.16 -5.07 118.68 114.16 1faf s LEU 19 Ca 0.00 -1.20 -0.17 0.00 0.69 0.00 0.00 54.13 53.46 1faf s LEU 19 Cb 0.00 -1.96 0.10 0.00 -0.43 0.00 0.00 46.19 43.90 1faf s LEU 19 CO 0.00 -0.41 -0.04 -2.65 -0.29 0.00 0.00 176.35 172.97 1faf n PRO 20 N 4.90 -1.72 0.05 0.98 -0.02 -1.26 -4.71 135.00 133.24 1faf n PRO 20 Ca -0.11 -0.50 0.12 0.00 -2.02 0.00 0.00 63.50 60.98 1faf n PRO 20 Cb 0.45 -1.49 0.13 0.00 -0.02 0.00 0.00 33.50 32.57 1faf n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1faf h ARG 21 N -2.24 0.00 -0.27 -0.52 3.08 -1.98 -3.33 114.38 109.12 1faf h ARG 21 Ca -0.37 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.60 1faf h ARG 21 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1faf h ARG 21 CO 0.24 0.00 -0.20 0.37 -1.07 0.00 0.00 179.97 179.31 1faf h GLN 22 N 0.00 0.49 -0.53 0.04 4.15 -2.05 -2.73 115.11 114.47 1faf h GLN 22 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1faf h GLN 22 Cb 0.75 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1faf h GLN 22 CO 0.00 0.67 0.00 1.47 -1.93 0.00 0.00 178.83 179.04 1faf n LEU 23 N -4.15 3.52 -4.54 -2.39 -0.00 -1.26 -4.92 117.00 103.26 1faf n LEU 23 Ca -0.00 -1.84 -0.16 0.00 -0.00 0.00 0.00 56.01 54.01 1faf n LEU 23 Cb 0.37 -0.35 -0.12 0.00 -0.00 0.00 0.00 43.42 43.32 1faf n LEU 23 CO 0.41 0.85 1.50 1.87 -0.00 0.00 0.00 177.39 182.02 1faf n TRP 24 N 1.31 0.82 0.00 1.47 -0.00 -1.03 -2.53 117.44 117.48 1faf n TRP 24 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1faf n TRP 24 Cb 0.56 -2.00 0.00 0.00 -0.00 0.00 0.00 31.31 29.87 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 6.41 0.46 3.55 5.87 0.00 -1.26 -5.08 105.19 115.13 1faf n GLY 25 Ca 0.53 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 6.45 0.32 1.61 -1.08 -1.05 -4.85 116.67 118.07 1faf s ASP 26 Ca 0.00 -1.33 0.08 0.00 -0.52 0.00 0.00 52.55 50.78 1faf s ASP 26 Cb 0.00 -2.56 0.81 0.00 -1.46 0.00 0.00 42.92 39.71 1faf s ASP 26 CO 0.00 -1.54 1.77 0.15 0.52 0.00 0.00 175.17 176.07 1faf h PHE 27 N 9.80 1.01 0.00 -5.34 3.57 -1.98 0.20 116.94 124.20 1faf h PHE 27 Ca 0.13 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1faf h PHE 27 Cb 1.02 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1faf h PHE 27 CO 1.25 0.18 -0.08 0.78 -2.23 0.00 0.00 178.31 178.21 1faf h GLY 28 N 0.68 0.00 0.05 2.40 0.00 -1.98 0.27 103.07 104.49 1faf h GLY 28 Ca 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.84 1faf h GLY 28 CO -0.39 0.00 -0.46 3.21 0.00 0.00 0.00 176.54 178.90 1faf h ARG 29 N 0.00 0.02 -0.56 4.80 3.08 -1.05 -2.97 114.38 117.70 1faf h ARG 29 Ca -0.00 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1faf h ARG 29 Cb 0.14 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1faf h ARG 29 CO 0.01 1.02 -0.03 0.00 -1.07 0.00 0.00 179.97 179.90 1faf h MET 30 N -0.95 0.98 -0.38 0.04 -0.00 -1.22 -1.62 114.93 111.79 1faf h MET 30 Ca -0.12 -0.31 -0.04 0.00 -0.00 0.00 0.00 59.70 59.22 1faf h MET 30 Cb 1.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.64 1faf h MET 30 CO -0.05 0.98 0.07 0.37 -0.00 0.00 0.00 176.91 178.28 1faf h GLN 31 N 0.89 0.62 -0.85 -0.10 4.15 -0.62 0.12 115.11 119.32 1faf h GLN 31 Ca 0.16 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1faf h GLN 31 Cb 0.57 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 1faf h GLN 31 CO 0.03 0.68 0.43 1.96 -1.93 0.00 0.00 178.83 180.00 1faf h GLN 32 N 0.47 1.21 0.00 1.69 4.20 -1.40 -1.89 115.11 119.39 1faf h GLN 32 Ca 0.12 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1faf h GLN 32 Cb 0.35 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1faf h GLN 32 CO 0.01 0.92 -0.52 0.00 -0.67 0.00 0.00 178.83 178.56 1faf h ALA 33 N 1.26 1.01 -0.40 3.87 0.00 -1.06 -2.80 119.26 121.15 1faf h ALA 33 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1faf h ALA 33 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1faf h ALA 33 CO -0.04 0.65 0.25 -0.92 0.00 0.00 0.00 179.25 179.20 1faf h TYR 34 N 0.00 0.52 0.00 0.00 5.03 0.06 0.16 116.97 122.74 1faf h TYR 34 Ca -0.01 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 1faf h TYR 34 Cb 1.00 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1faf h TYR 34 CO 0.00 0.35 -0.47 0.87 -1.32 0.00 0.00 178.16 177.59 1faf h LYS 35 N 0.53 0.00 -0.20 1.82 6.56 -1.44 -2.52 116.57 121.32 1faf h LYS 35 Ca 0.15 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.53 1faf h LYS 35 Cb -0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1faf h LYS 35 CO -0.03 0.47 -0.68 0.37 -2.06 0.00 0.00 179.45 177.52 1faf h GLN 36 N 0.00 0.78 0.00 3.15 4.15 -1.14 -3.04 115.11 119.01 1faf h GLN 36 Ca -0.00 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.84 1faf h GLN 36 Cb 0.95 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1faf h GLN 36 CO 0.06 1.19 0.00 1.96 -1.93 0.00 0.00 178.83 180.12 1faf h GLN 37 N 0.56 0.00 -0.00 1.69 1.08 -0.91 -3.02 115.11 114.51 1faf h GLN 37 Ca -0.02 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.06 1faf h GLN 37 Cb 1.29 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 1faf h GLN 37 CO 0.14 0.00 -0.56 0.77 -0.95 0.00 0.00 178.83 178.23 1faf h SER 38 N 0.00 0.00 0.42 1.46 0.02 -1.33 -1.83 113.55 112.29 1faf h SER 38 Ca 0.00 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1faf h SER 38 Cb 0.74 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1faf h SER 38 CO 0.00 0.56 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.59 1faf h LEU 39 N 0.00 0.19 0.00 5.07 3.38 -1.51 -2.90 115.31 119.54 1faf h LEU 39 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1faf h LEU 39 Cb 1.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1faf h LEU 39 CO 0.07 0.74 -0.77 0.17 0.09 0.00 0.00 178.44 178.74 1faf h LEU 40 N 0.13 0.00 -2.07 1.67 8.10 -1.61 -3.29 115.31 118.24 1faf h LEU 40 Ca -0.00 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1faf h LEU 40 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 1faf h LEU 40 CO 0.09 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.66 1faf n LEU 41 N -2.37 3.01 -4.74 0.17 4.77 -0.70 -4.15 117.00 113.00 1faf n LEU 41 Ca 0.02 -1.49 -0.39 0.00 -0.03 0.00 0.00 56.01 54.12 1faf n LEU 41 Cb 0.49 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1faf n LEU 41 CO 0.38 0.74 0.30 -2.28 -1.33 0.00 0.00 177.39 175.20 1faf s HIS 42 N -1.28 3.61 0.52 -1.77 2.46 -1.10 -4.28 115.29 113.45 1faf s HIS 42 Ca 0.38 1.14 0.41 0.00 0.47 0.00 0.00 55.06 57.46 1faf s HIS 42 Cb 0.20 -2.66 1.59 0.00 -0.13 0.00 0.00 32.58 31.58 1faf s HIS 42 CO 0.26 0.22 1.67 -1.35 -2.47 0.00 0.00 174.74 173.07 1faf h PRO 43 N 6.28 0.03 0.00 2.88 0.11 -1.89 0.91 132.00 140.32 1faf h PRO 43 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1faf h PRO 43 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1faf h PRO 43 CO 0.73 0.02 0.00 -0.44 -0.21 0.00 0.00 178.00 178.10 1faf h ASP 44 N 0.03 0.00 -0.32 -2.05 3.32 -1.93 -3.23 116.42 112.25 1faf h ASP 44 Ca 0.78 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.65 1faf h ASP 44 Cb 2.95 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 42.39 1faf h ASP 44 CO -0.10 0.00 -0.22 0.29 -1.72 0.00 0.00 179.24 177.49 1faf n LYS 45 N -2.98 1.93 -2.38 3.56 4.76 0.31 -5.03 118.16 118.34 1faf n LYS 45 Ca 0.04 -3.31 -0.04 0.00 -2.87 0.00 0.00 58.31 52.13 1faf n LYS 45 Cb 0.49 -1.82 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 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 -5.10 3.61 0.72 0.00 -1.00 -4.73 105.19 97.60 1faf n GLY 46 Ca 0.32 1.19 -0.01 0.00 0.00 0.00 0.00 46.02 47.51 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 -0.56 -0.34 0.32 -0.02 0.00 -1.25 -4.52 107.32 100.95 1faf s GLY 47 Ca -0.20 1.22 -0.08 0.00 0.00 0.00 0.00 44.72 45.66 1faf s GLY 47 CO 0.53 0.35 0.62 -0.56 0.00 0.00 0.00 173.10 174.05 1faf s SER 48 N -2.53 6.50 0.01 1.64 0.01 -1.26 -4.47 113.70 113.60 1faf s SER 48 Ca 0.12 0.89 -0.08 0.00 1.31 0.00 0.00 55.95 58.19 1faf s SER 48 Cb 0.02 -2.22 -0.30 0.00 0.21 0.00 0.00 66.02 63.73 1faf s SER 48 CO -0.04 -0.24 0.88 -0.74 0.41 0.00 0.00 173.24 173.51 1faf h HIS 49 N 1.69 0.63 0.00 2.43 2.76 -2.01 -3.23 115.15 117.43 1faf h HIS 49 Ca -0.47 -0.46 -0.02 0.00 -2.20 0.00 0.00 60.37 57.21 1faf h HIS 49 Cb 1.19 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 30.12 1faf h HIS 49 CO 0.59 1.48 -0.09 0.00 -1.30 0.00 0.00 177.93 178.60 1faf h ALA 50 N 0.35 1.66 -0.01 5.26 0.00 -1.97 -2.35 119.26 122.20 1faf h ALA 50 Ca -0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1faf h ALA 50 Cb 2.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1faf h ALA 50 CO 0.20 0.12 -0.12 -0.07 0.00 0.00 0.00 179.25 179.37 1faf h LEU 51 N 0.00 0.13 -1.27 0.00 4.07 -1.95 -0.84 115.31 115.44 1faf h LEU 51 Ca -0.00 -0.72 0.06 0.00 0.08 0.00 0.00 57.88 57.31 1faf h LEU 51 Cb 0.19 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1faf h LEU 51 CO 0.01 0.83 0.53 -0.03 -1.08 0.00 0.00 178.44 178.70 1faf h MET 52 N -0.56 0.85 0.23 1.13 4.05 -1.51 0.17 114.93 119.29 1faf h MET 52 Ca -0.01 -0.05 -0.33 0.00 -0.28 0.00 0.00 59.70 59.02 1faf h MET 52 Cb 0.83 -0.19 0.03 0.00 -0.80 0.00 0.00 31.60 31.47 1faf h MET 52 CO 0.02 0.56 -1.52 -0.56 0.23 0.00 0.00 176.91 175.65 1faf h GLN 53 N 0.88 0.48 -0.19 0.39 3.07 -1.49 -3.05 115.11 115.21 1faf h GLN 53 Ca 0.35 -0.82 -0.07 0.00 0.09 0.00 0.00 58.65 58.19 1faf h GLN 53 Cb 0.23 0.31 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1faf h GLN 53 CO -0.12 1.39 -0.20 0.93 0.09 0.00 0.00 178.83 180.91 1faf h GLU 54 N 0.13 0.32 -0.15 0.06 4.39 -0.76 -2.44 114.58 116.13 1faf h GLU 54 Ca -0.26 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 1faf h GLU 54 Cb 2.14 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1faf h GLU 54 CO 0.25 0.52 -0.05 1.25 -1.16 0.00 0.00 179.01 179.82 1faf h LEU 55 N 0.30 0.31 -0.69 1.33 5.85 -0.75 -2.08 115.31 119.58 1faf h LEU 55 Ca 0.05 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1faf h LEU 55 Cb 0.53 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1faf h LEU 55 CO 0.04 0.62 0.42 0.78 -0.34 0.00 0.00 178.44 179.96 1faf h ASN 56 N -0.01 0.68 0.13 1.25 2.35 -1.40 0.27 115.58 118.86 1faf h ASN 56 Ca 0.04 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1faf h ASN 56 Cb 0.49 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1faf h ASN 56 CO 0.02 0.46 -0.22 -1.28 -1.65 0.00 0.00 177.43 174.76 1faf h SER 57 N 0.81 0.16 1.20 5.81 0.87 -1.40 0.48 113.55 121.48 1faf h SER 57 Ca 0.28 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.64 1faf h SER 57 Cb 0.06 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1faf h SER 57 CO -0.12 0.40 -0.82 -0.07 -0.53 0.00 0.00 176.83 175.68 1faf h LEU 58 N 0.16 0.00 0.00 2.23 3.38 -0.54 -3.08 115.31 117.46 1faf h LEU 58 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1faf h LEU 58 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1faf h LEU 58 CO 0.03 0.73 -1.29 -0.25 0.09 0.00 0.00 178.44 177.76 1faf h TRP 59 N 0.00 0.00 0.36 1.13 2.91 -0.06 -3.12 115.95 117.17 1faf h TRP 59 Ca -0.03 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 1faf h TRP 59 Cb 1.58 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.24 1faf h TRP 59 CO 0.00 0.71 -0.17 0.78 -1.03 0.00 0.00 178.44 178.73 1faf h GLY 60 N 3.55 -0.50 0.14 2.65 0.00 -0.10 0.26 103.07 109.07 1faf h GLY 60 Ca -0.15 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.46 1faf h GLY 60 CO 0.07 -0.18 -0.08 0.00 0.00 0.00 0.00 176.54 176.34 1faf h THR 61 N -0.72 0.58 -0.63 4.70 1.03 -1.73 0.22 112.91 116.36 1faf h THR 61 Ca -0.05 -0.01 0.12 0.00 -0.01 0.00 0.00 66.41 66.46 1faf h THR 61 Cb 0.37 0.55 -0.12 0.00 -1.07 0.00 0.00 68.15 67.87 1faf h THR 61 CO 0.08 0.01 -0.23 0.15 -0.01 0.00 0.00 175.52 175.52 1faf h PHE 62 N 0.03 -0.57 -0.64 0.00 3.57 -1.59 0.47 116.94 118.21 1faf h PHE 62 Ca 0.22 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1faf h PHE 62 Cb 0.33 0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1faf h PHE 62 CO -0.36 -0.32 0.42 0.87 -2.23 0.00 0.00 178.31 176.68 1faf h LYS 63 N -0.07 0.69 -0.99 1.11 1.57 0.26 -0.24 116.57 118.91 1faf h LYS 63 Ca 0.28 -0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.25 1faf h LYS 63 Cb 0.51 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 1faf h LYS 63 CO -0.68 0.46 0.63 1.15 -0.57 0.00 0.00 179.45 180.44 1faf h THR 64 N 0.71 0.62 0.01 -0.16 2.02 0.20 0.61 112.91 116.93 1faf h THR 64 Ca 0.26 -0.17 -0.26 0.00 0.77 0.00 0.00 66.41 67.01 1faf h THR 64 Cb 0.15 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 1faf h THR 64 CO -0.08 0.09 -1.39 -0.33 0.37 0.00 0.00 175.52 174.19 1faf h GLU 65 N 0.51 0.03 -0.84 6.66 4.39 -0.98 -3.33 114.58 121.02 1faf h GLU 65 Ca 0.55 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 60.32 1faf h GLU 65 Cb 1.23 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.84 1faf h GLU 65 CO -0.29 0.79 0.54 0.28 -1.16 0.00 0.00 179.01 179.17 1faf h VAL 66 N 0.01 0.91 -0.43 3.13 2.07 0.18 0.88 116.25 122.98 1faf h VAL 66 Ca -0.16 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1faf h VAL 66 Cb 1.91 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1faf h VAL 66 CO 0.11 0.13 -0.21 0.22 0.02 0.00 0.00 177.57 177.84 1faf h TYR 67 N 0.72 0.99 0.00 1.57 5.03 -1.26 -2.95 116.97 121.07 1faf h TYR 67 Ca 0.40 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1faf h TYR 67 Cb 0.55 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1faf h TYR 67 CO -0.00 1.00 -0.49 0.27 -1.32 0.00 0.00 178.16 177.62 1faf n ASN 68 N -4.11 0.48 -0.01 -2.11 0.23 -0.39 -3.91 115.26 105.44 1faf n ASN 68 Ca 0.00 -0.20 -0.05 0.00 -0.53 0.00 0.00 54.58 53.81 1faf n ASN 68 Cb 0.44 0.22 0.17 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.56 0.00 -4.53 8.10 0.90 -1.77 115.31 118.57 1faf h LEU 69 Ca 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1faf h LEU 69 Cb 0.51 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1faf h LEU 69 CO 0.00 0.80 0.00 0.54 -4.11 0.00 0.00 178.44 175.67 1faf n ARG 70 N -4.12 0.87 -0.03 0.17 1.74 -1.24 -2.78 116.66 111.27 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 0.41 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.96 1.23 -1.59 5.56 2.81 -0.73 -4.90 117.12 118.54 1faf n MET 71 Ca 0.19 -0.06 -0.22 0.00 -1.81 0.00 0.00 57.70 55.80 1faf n MET 71 Cb 0.09 -1.31 -0.05 0.00 -0.71 0.00 0.00 33.22 31.23 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 -4.00 4.13 -1.01 7.83 0.01 -0.83 -4.87 114.94 116.19 1faf s ASN 72 Ca -0.05 0.39 -0.18 0.00 -0.71 0.00 0.00 52.86 52.31 1faf s ASN 72 Cb 0.06 -2.53 0.13 0.00 0.41 0.00 0.00 41.25 39.32 1faf s ASN 72 CO 0.52 -3.48 1.24 -0.76 -1.51 0.00 0.00 177.10 173.10 1faf s LEU 73 N 13.69 4.94 -0.53 0.60 1.02 -1.26 -4.85 118.68 132.29 1faf s LEU 73 Ca 0.93 -2.26 0.04 0.00 0.02 0.00 0.00 54.13 52.86 1faf s LEU 73 Cb -0.14 -2.41 0.40 0.00 0.02 0.00 0.00 46.19 44.06 1faf s LEU 73 CO 0.14 -1.01 1.29 0.61 0.02 0.00 0.00 176.35 177.40 1faf n GLY 74 N 5.22 5.90 0.00 -3.19 0.00 -1.26 -4.93 105.19 106.93 1faf n GLY 74 Ca 0.28 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.48 0.65 3.76 -0.02 0.00 -1.26 -5.14 105.19 102.70 1faf n GLY 75 Ca 0.42 0.40 -0.35 0.00 0.00 0.00 0.00 46.02 46.48 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 1.68 2.88 -0.04 2.61 2.01 -1.26 -4.94 115.64 118.57 1faf s THR 76 Ca 0.00 0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.54 1faf s THR 76 Cb 0.00 -3.17 0.05 0.00 0.01 0.00 0.00 72.50 69.40 1faf s THR 76 CO 0.00 -0.14 0.53 0.61 -0.69 0.00 0.00 174.62 174.93 1faf n GLY 77 N 0.24 -0.33 3.68 4.40 0.00 -1.26 -5.05 105.19 106.87 1faf n GLY 77 Ca 0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 0.02 1.75 0.00 1.61 0.40 -1.26 -5.27 117.98 115.23 1faf s PHE 78 Ca 0.01 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 1faf s PHE 78 Cb 0.06 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.30 1faf s PHE 78 CO -0.02 -2.72 0.00 1.04 0.70 0.00 0.00 175.22 174.23