#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 6.98 -0.24 7.83 1.01 -1.26 -4.86 116.67 126.13 1faf s ASP 2 Ca 0.00 1.21 -0.03 0.00 0.71 0.00 0.00 52.55 54.44 1faf s ASP 2 Cb 0.00 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.50 1faf s ASP 2 CO 0.00 -0.81 0.28 0.00 0.21 0.00 0.00 175.17 174.85 1faf s ARG 3 N 3.52 0.27 -0.15 8.23 1.70 -1.26 -5.13 118.95 126.13 1faf s ARG 3 Ca 0.46 0.16 -0.27 0.00 -0.47 0.00 0.00 55.73 55.61 1faf s ARG 3 Cb -0.14 -0.87 -0.01 0.00 -0.57 0.00 0.00 34.95 33.36 1faf s ARG 3 CO 0.13 -0.77 0.92 0.14 -1.08 0.00 0.00 175.30 174.63 1faf s VAL 4 N 2.39 4.83 0.11 4.99 -7.23 -1.26 -4.55 120.40 119.68 1faf s VAL 4 Ca 0.09 1.83 -0.15 0.00 -1.81 0.00 0.00 61.98 61.94 1faf s VAL 4 Cb -0.15 -4.22 -0.07 0.00 0.56 0.00 0.00 36.38 32.50 1faf s VAL 4 CO -0.20 0.01 0.53 -1.48 -0.31 0.00 0.00 175.10 173.65 1faf s LEU 5 N 2.15 4.40 0.00 1.32 0.05 -1.26 -5.10 118.68 120.24 1faf s LEU 5 Ca 0.43 1.09 -0.02 0.00 0.05 0.00 0.00 54.13 55.68 1faf s LEU 5 Cb -0.17 -3.09 0.03 0.00 -2.05 0.00 0.00 46.19 40.90 1faf s LEU 5 CO 0.14 0.17 0.17 -1.54 -0.55 0.00 0.00 176.35 174.74 1faf n SER 6 N 1.13 0.06 -0.16 1.48 3.41 -1.26 -4.68 113.62 113.59 1faf n SER 6 Ca -0.08 -1.09 0.01 0.00 -0.26 0.00 0.00 58.87 57.46 1faf n SER 6 Cb 0.52 -0.12 0.28 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.88 -0.07 4.33 0.11 -1.99 -0.85 114.38 116.80 1faf h ARG 7 Ca -0.05 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 59.94 1faf h ARG 7 Cb 0.16 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 31.04 1faf h ARG 7 CO 0.04 0.60 -0.06 0.00 0.10 0.00 0.00 179.97 180.65 1faf h ALA 8 N 1.57 0.10 -0.19 0.08 0.00 -1.98 -2.05 119.26 116.78 1faf h ALA 8 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1faf h ALA 8 Cb -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1faf h ALA 8 CO -0.05 -0.11 0.08 -0.44 0.00 0.00 0.00 179.25 178.73 1faf h ASP 9 N -0.26 0.26 -0.33 0.00 5.19 -1.86 -0.01 116.42 119.42 1faf h ASP 9 Ca 0.01 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1faf h ASP 9 Cb 0.54 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1faf h ASP 9 CO 0.01 0.35 0.22 0.07 -3.12 0.00 0.00 179.24 176.77 1faf h LYS 10 N 0.16 0.43 -0.28 3.56 2.10 -1.23 0.32 116.57 121.62 1faf h LYS 10 Ca 0.06 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.56 1faf h LYS 10 Cb 0.17 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 1faf h LYS 10 CO -0.01 0.28 -0.34 0.93 -2.00 0.00 0.00 179.45 178.32 1faf h GLU 11 N 0.44 0.61 -0.08 0.07 5.08 -0.84 -2.56 114.58 117.30 1faf h GLU 11 Ca 0.12 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1faf h GLU 11 Cb -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1faf h GLU 11 CO -0.03 0.87 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.58 1faf h ARG 12 N 0.52 0.13 -0.64 2.33 2.43 0.98 -2.18 114.38 117.95 1faf h ARG 12 Ca 0.06 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1faf h ARG 12 Cb 0.83 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1faf h ARG 12 CO 0.07 0.32 0.22 1.25 -1.51 0.00 0.00 179.97 180.32 1faf h LEU 13 N 0.13 0.92 -0.77 3.80 5.85 -0.89 -2.75 115.31 121.60 1faf h LEU 13 Ca 0.02 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1faf h LEU 13 Cb 0.40 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1faf h LEU 13 CO 0.03 0.87 0.35 -0.07 -0.34 0.00 0.00 178.44 179.27 1faf h LEU 14 N 0.92 1.03 -0.19 2.25 3.38 -1.29 -1.44 115.31 119.96 1faf h LEU 14 Ca 0.21 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1faf h LEU 14 Cb 0.27 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1faf h LEU 14 CO -0.01 0.89 -0.24 -0.33 0.09 0.00 0.00 178.44 178.84 1faf h GLU 15 N 1.10 -0.26 0.00 1.13 4.39 -1.18 0.15 114.58 119.91 1faf h GLU 15 Ca 0.26 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1faf h GLU 15 Cb 0.16 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1faf h GLU 15 CO -0.03 -0.17 0.00 1.28 -1.16 0.00 0.00 179.01 178.93 1faf n LEU 16 N -5.37 0.19 -0.05 1.33 4.32 -1.15 -2.65 117.00 113.62 1faf n LEU 16 Ca -0.02 0.53 0.12 0.00 -0.02 0.00 0.00 56.01 56.63 1faf n LEU 16 Cb 0.29 -0.49 0.26 0.00 -1.62 0.00 0.00 43.42 41.86 1faf n LEU 16 CO 0.16 -0.19 0.48 0.18 -1.22 0.00 0.00 177.39 176.80 1faf n LEU 17 N -1.70 0.63 -1.44 2.23 7.99 0.37 -4.79 117.00 120.30 1faf n LEU 17 Ca 0.05 -0.08 -0.15 0.00 -0.01 0.00 0.00 56.01 55.83 1faf n LEU 17 Cb 0.27 -0.21 -0.06 0.00 -0.11 0.00 0.00 43.42 43.31 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 -1.32 -1.33 -3.77 3.23 4.01 -0.24 -4.66 118.16 114.09 1faf n LYS 18 Ca 0.07 0.87 -0.37 0.00 -0.51 0.00 0.00 58.31 58.36 1faf n LYS 18 Cb 0.34 -5.15 -0.12 0.00 -0.51 0.00 0.00 35.03 29.59 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 -3.97 4.28 1.09 -0.35 0.20 -1.17 -5.08 118.68 113.68 1faf s LEU 19 Ca 0.00 -1.15 -0.20 0.00 0.69 0.00 0.00 54.13 53.46 1faf s LEU 19 Cb 0.00 -1.85 0.05 0.00 -0.43 0.00 0.00 46.19 43.96 1faf s LEU 19 CO 0.00 -0.32 -0.30 -2.65 -0.29 0.00 0.00 176.35 172.79 1faf n PRO 20 N 4.79 -1.36 0.00 0.98 -0.02 -1.26 -4.72 135.00 133.41 1faf n PRO 20 Ca -0.12 -0.39 0.13 0.00 -2.02 0.00 0.00 63.50 61.10 1faf n PRO 20 Cb 0.44 -1.53 0.43 0.00 -0.02 0.00 0.00 33.50 32.82 1faf n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1faf n ARG 21 N -1.12 1.10 0.09 -0.52 1.74 -1.26 -3.84 116.66 112.85 1faf n ARG 21 Ca 0.00 -0.64 -0.01 0.00 -0.77 0.00 0.00 57.85 56.43 1faf n ARG 21 Cb 0.63 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1faf h GLN 22 N 1.57 0.00 -0.36 5.56 4.15 -2.05 -3.29 115.11 120.69 1faf h GLN 22 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1faf h GLN 22 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1faf h GLN 22 CO 0.00 0.57 0.00 1.47 -1.93 0.00 0.00 178.83 178.94 1faf n LEU 23 N -3.17 3.25 -4.52 -2.39 -0.00 -1.25 -4.98 117.00 103.93 1faf n LEU 23 Ca -0.02 -2.22 -0.39 0.00 -0.00 0.00 0.00 56.01 53.37 1faf n LEU 23 Cb 0.83 -0.32 -0.07 0.00 -0.00 0.00 0.00 43.42 43.85 1faf n LEU 23 CO 0.43 0.73 2.07 1.87 -0.00 0.00 0.00 177.39 182.50 1faf n TRP 24 N 0.39 1.16 0.00 1.47 -0.00 -1.24 -2.37 117.44 116.84 1faf n TRP 24 Ca 0.15 0.22 0.00 0.00 -0.00 0.00 0.00 57.50 57.87 1faf n TRP 24 Cb 0.55 -2.54 0.00 0.00 -0.00 0.00 0.00 31.31 29.32 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 6.23 0.69 3.56 5.87 0.00 -1.26 -5.08 105.19 115.19 1faf n GLY 25 Ca 0.47 0.00 -0.37 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 6.03 0.44 1.61 2.15 -1.00 -4.83 116.67 121.06 1faf s ASP 26 Ca 0.00 -1.03 0.22 0.00 0.43 0.00 0.00 52.55 52.18 1faf s ASP 26 Cb 0.00 -2.56 1.20 0.00 -0.30 0.00 0.00 42.92 41.26 1faf s ASP 26 CO 0.00 -1.93 1.80 0.15 -0.17 0.00 0.00 175.17 175.03 1faf h PHE 27 N 10.51 0.48 -0.39 -5.34 3.57 -1.96 0.30 116.94 124.10 1faf h PHE 27 Ca 0.09 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1faf h PHE 27 Cb 1.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1faf h PHE 27 CO 1.23 0.06 -0.16 0.78 -2.23 0.00 0.00 178.31 178.00 1faf h GLY 28 N 0.30 0.79 1.54 2.40 0.00 -1.99 -1.56 103.07 104.54 1faf h GLY 28 Ca 0.55 -0.62 -0.28 0.00 0.00 0.00 0.00 47.33 46.98 1faf h GLY 28 CO -0.20 0.57 -1.32 3.21 0.00 0.00 0.00 176.54 178.80 1faf h ARG 29 N 0.65 0.22 -0.11 4.80 3.08 -1.39 -2.84 114.38 118.80 1faf h ARG 29 Ca 0.10 -0.37 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1faf h ARG 29 Cb 0.64 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1faf h ARG 29 CO 0.04 1.13 -0.24 0.00 -1.07 0.00 0.00 179.97 179.84 1faf h MET 30 N 0.06 0.35 -0.54 0.04 -0.00 -1.28 -2.55 114.93 111.01 1faf h MET 30 Ca -0.16 -0.23 -0.07 0.00 -0.00 0.00 0.00 59.70 59.24 1faf h MET 30 Cb 1.96 0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 33.57 1faf h MET 30 CO 0.18 0.84 0.06 0.37 -0.00 0.00 0.00 176.91 178.35 1faf h GLN 31 N -0.09 0.88 0.00 -0.10 4.15 -1.42 0.32 115.11 118.86 1faf h GLN 31 Ca 0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1faf h GLN 31 Cb 0.83 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1faf h GLN 31 CO 0.05 0.85 -0.08 1.96 -1.93 0.00 0.00 178.83 179.68 1faf h GLN 32 N 0.83 0.00 0.12 1.69 4.20 -1.49 -1.97 115.11 118.49 1faf h GLN 32 Ca 0.17 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.60 1faf h GLN 32 Cb 0.42 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1faf h GLN 32 CO 0.01 0.08 -1.41 0.00 -0.67 0.00 0.00 178.83 176.85 1faf h ALA 33 N 1.92 0.17 -0.86 3.87 0.00 -0.84 -2.78 119.26 120.74 1faf h ALA 33 Ca -0.00 -1.08 0.16 0.00 0.00 0.00 0.00 54.91 53.99 1faf h ALA 33 Cb 0.15 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1faf h ALA 33 CO 0.01 0.82 0.44 -0.92 0.00 0.00 0.00 179.25 179.60 1faf h TYR 34 N -0.30 0.77 0.09 0.00 5.03 -0.04 0.55 116.97 123.07 1faf h TYR 34 Ca -0.30 0.04 -0.29 0.00 2.58 0.00 0.00 58.73 60.76 1faf h TYR 34 Cb 1.76 -0.21 0.02 0.00 1.55 0.00 0.00 36.73 39.86 1faf h TYR 34 CO 0.13 0.16 -1.18 0.87 -1.32 0.00 0.00 178.16 176.81 1faf h LYS 35 N 0.60 0.59 -0.66 1.82 1.57 -1.51 -0.82 116.57 118.17 1faf h LYS 35 Ca 0.48 -0.76 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1faf h LYS 35 Cb 0.72 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1faf h LYS 35 CO -0.38 1.33 0.37 0.37 -0.57 0.00 0.00 179.45 180.57 1faf h GLN 36 N 0.28 0.92 0.00 3.15 -0.00 -0.91 -2.22 115.11 116.33 1faf h GLN 36 Ca -0.16 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1faf h GLN 36 Cb 1.85 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 29.14 1faf h GLN 36 CO 0.22 0.69 -0.24 1.96 0.00 0.00 0.00 178.83 181.46 1faf h GLN 37 N 0.91 0.00 0.00 1.69 7.50 -0.02 -3.19 115.11 122.00 1faf h GLN 37 Ca 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.37 1faf h GLN 37 Cb 0.03 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.56 1faf h GLN 37 CO -0.04 0.13 -0.09 0.77 -1.50 0.00 0.00 178.83 178.10 1faf h SER 38 N 0.00 0.00 -0.11 1.46 0.02 -0.51 -2.46 113.55 111.95 1faf h SER 38 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1faf h SER 38 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1faf h SER 38 CO 0.02 0.09 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.58 1faf h LEU 39 N 0.00 0.31 -1.66 5.07 3.38 -1.50 -2.60 115.31 118.31 1faf h LEU 39 Ca -0.00 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1faf h LEU 39 Cb 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1faf h LEU 39 CO 0.01 0.76 -0.00 0.17 0.09 0.00 0.00 178.44 179.47 1faf h LEU 40 N -0.13 0.00 -1.97 1.67 8.10 -1.63 -1.92 115.31 119.43 1faf h LEU 40 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1faf h LEU 40 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 1faf h LEU 40 CO 0.03 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.54 1faf n LEU 41 N -3.09 2.91 -4.78 0.17 4.77 -0.96 -3.72 117.00 112.30 1faf n LEU 41 Ca 0.00 -1.35 -0.39 0.00 -0.03 0.00 0.00 56.01 54.25 1faf n LEU 41 Cb 0.28 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1faf n LEU 41 CO 0.26 0.67 0.24 -2.28 -1.33 0.00 0.00 177.39 174.96 1faf s HIS 42 N -1.43 3.71 -0.09 -1.77 2.46 -0.72 -3.80 115.29 113.65 1faf s HIS 42 Ca 0.37 1.16 0.05 0.00 0.47 0.00 0.00 55.06 57.11 1faf s HIS 42 Cb 0.20 -2.52 0.28 0.00 -0.13 0.00 0.00 32.58 30.41 1faf s HIS 42 CO 0.28 0.45 0.94 -2.30 -2.47 0.00 0.00 174.74 171.64 1faf n PRO 43 N 2.38 0.04 0.08 2.88 -0.02 -1.26 0.70 135.00 139.80 1faf n PRO 43 Ca -0.09 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 1faf n PRO 43 Cb 0.51 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1faf n PRO 43 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1faf h ASP 44 N 0.00 0.00 -0.21 2.55 3.58 -1.90 -3.35 116.42 117.09 1faf h ASP 44 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1faf h ASP 44 Cb 0.78 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.77 1faf h ASP 44 CO 0.00 0.33 -0.23 0.29 -2.88 0.00 0.00 179.24 176.75 1faf n LYS 45 N -2.85 1.76 -2.50 0.28 4.01 0.22 -4.97 118.16 114.12 1faf n LYS 45 Ca -0.04 -3.20 -0.06 0.00 -0.51 0.00 0.00 58.31 54.49 1faf n LYS 45 Cb 0.71 -1.74 0.03 0.00 -0.51 0.00 0.00 35.03 33.52 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1faf n GLY 46 N -1.12 -0.47 3.33 0.72 0.00 -1.09 -4.75 105.19 101.80 1faf n GLY 46 Ca 0.27 0.22 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.04 1.39 0.37 -0.02 0.00 -0.99 -4.76 107.32 100.27 1faf s GLY 47 Ca 0.19 -1.45 -0.05 0.00 0.00 0.00 0.00 44.72 43.42 1faf s GLY 47 CO 0.44 -1.48 0.65 -0.56 0.00 0.00 0.00 173.10 172.15 1faf s SER 48 N -2.47 6.38 -0.13 1.64 0.01 -1.25 -4.11 113.70 113.77 1faf s SER 48 Ca 0.14 0.79 -0.25 0.00 1.31 0.00 0.00 55.95 57.94 1faf s SER 48 Cb -0.07 -2.18 -0.22 0.00 0.21 0.00 0.00 66.02 63.75 1faf s SER 48 CO 0.06 -0.36 0.71 -0.74 0.41 0.00 0.00 173.24 173.32 1faf h HIS 49 N 1.02 -0.01 -0.44 2.43 2.76 -2.00 -3.12 115.15 115.79 1faf h HIS 49 Ca -0.48 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 57.82 1faf h HIS 49 Cb 1.20 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.14 1faf h HIS 49 CO 0.57 0.83 0.50 0.00 -1.30 0.00 0.00 177.93 178.53 1faf h ALA 50 N -0.10 2.14 0.01 5.26 0.00 -1.98 -0.48 119.26 124.11 1faf h ALA 50 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1faf h ALA 50 Cb 0.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1faf h ALA 50 CO 0.00 -0.73 -0.01 -0.07 0.00 0.00 0.00 179.25 178.45 1faf h LEU 51 N 0.00 -0.01 -1.98 0.00 4.07 -1.95 -2.27 115.31 113.16 1faf h LEU 51 Ca 0.21 -0.76 -0.00 0.00 0.08 0.00 0.00 57.88 57.41 1faf h LEU 51 Cb 1.21 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 1faf h LEU 51 CO -0.00 0.84 0.00 -0.03 -1.08 0.00 0.00 178.44 178.17 1faf h MET 52 N -0.96 0.01 0.03 1.13 4.05 -1.19 -0.64 114.93 117.37 1faf h MET 52 Ca -0.00 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1faf h MET 52 Cb 0.77 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.58 1faf h MET 52 CO 0.00 0.01 -0.52 1.96 0.23 0.00 0.00 176.91 178.60 1faf h GLN 53 N 0.01 0.29 -0.83 0.39 1.08 -1.22 -2.82 115.11 112.01 1faf h GLN 53 Ca 0.00 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1faf h GLN 53 Cb 0.01 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1faf h GLN 53 CO 0.00 1.08 0.53 1.49 -0.95 0.00 0.00 178.83 180.98 1faf h GLU 54 N -0.34 1.10 0.14 1.46 4.57 -0.94 -1.10 114.58 119.47 1faf h GLU 54 Ca -0.07 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1faf h GLU 54 Cb 1.29 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1faf h GLU 54 CO 0.10 0.75 -0.07 1.25 -1.18 0.00 0.00 179.01 179.86 1faf h LEU 55 N 1.13 -0.16 -1.89 1.64 5.85 -1.21 0.25 115.31 120.91 1faf h LEU 55 Ca 0.30 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1faf h LEU 55 Cb -0.10 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1faf h LEU 55 CO -0.06 -0.08 0.26 0.78 -0.34 0.00 0.00 178.44 179.00 1faf h ASN 56 N -0.23 0.11 -0.00 1.25 2.35 -1.22 0.88 115.58 118.72 1faf h ASN 56 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1faf h ASN 56 Cb 0.18 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1faf h ASN 56 CO 0.03 0.07 -0.03 0.28 -1.65 0.00 0.00 177.43 176.14 1faf h SER 57 N 0.13 0.03 1.00 5.81 0.02 -0.41 0.36 113.55 120.48 1faf h SER 57 Ca 0.17 -0.74 -0.08 0.00 -0.84 0.00 0.00 61.79 60.30 1faf h SER 57 Cb 0.53 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1faf h SER 57 CO -0.02 0.76 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.97 1faf h LEU 58 N -0.71 0.00 0.00 5.07 3.38 0.06 -2.82 115.31 120.29 1faf h LEU 58 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1faf h LEU 58 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1faf h LEU 58 CO 0.01 0.39 -0.88 -0.25 0.09 0.00 0.00 178.44 177.80 1faf h TRP 59 N 0.00 0.00 0.08 1.13 2.91 0.69 -3.17 115.95 117.60 1faf h TRP 59 Ca -0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 1faf h TRP 59 Cb 1.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.65 1faf h TRP 59 CO 0.00 0.00 -0.04 0.78 -1.03 0.00 0.00 178.44 178.15 1faf h GLY 60 N 4.23 -0.12 0.53 2.65 0.00 -0.74 -1.98 103.07 107.64 1faf h GLY 60 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.42 1faf h GLY 60 CO 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 176.54 176.44 1faf h THR 61 N -0.84 0.76 -0.72 4.70 1.03 -1.70 -1.05 112.91 115.09 1faf h THR 61 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.51 1faf h THR 61 Cb 0.09 0.76 -0.13 0.00 -1.07 0.00 0.00 68.15 67.80 1faf h THR 61 CO 0.02 0.00 -0.37 0.15 -0.01 0.00 0.00 175.52 175.31 1faf h PHE 62 N -0.01 -1.03 -0.85 0.00 3.57 -1.69 0.43 116.94 117.36 1faf h PHE 62 Ca 0.11 0.08 0.16 0.00 3.53 0.00 0.00 57.97 61.86 1faf h PHE 62 Cb 0.18 0.56 -0.10 0.00 2.79 0.00 0.00 35.95 39.37 1faf h PHE 62 CO -0.24 -0.39 0.42 -0.22 -2.23 0.00 0.00 178.31 175.64 1faf h LYS 63 N -0.12 0.54 -0.98 1.11 3.64 -0.41 0.61 116.57 120.97 1faf h LYS 63 Ca 0.26 -0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.84 1faf h LYS 63 Cb 0.56 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 1faf h LYS 63 CO -0.78 0.36 0.64 1.15 -2.27 0.00 0.00 179.45 178.54 1faf h THR 64 N 0.56 0.61 0.00 1.00 2.02 0.68 0.90 112.91 118.68 1faf h THR 64 Ca 0.48 -0.14 -0.23 0.00 0.77 0.00 0.00 66.41 67.29 1faf h THR 64 Cb 0.75 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1faf h THR 64 CO -0.40 0.08 -1.29 -0.33 0.37 0.00 0.00 175.52 173.94 1faf h GLU 65 N 0.42 0.00 -0.68 6.66 4.39 0.22 -3.34 114.58 122.24 1faf h GLU 65 Ca 0.53 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.25 1faf h GLU 65 Cb 1.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 1faf h GLU 65 CO -0.23 0.66 0.43 0.28 -1.16 0.00 0.00 179.01 178.99 1faf h VAL 66 N 0.00 1.11 -0.76 3.13 2.07 0.53 1.00 116.25 123.33 1faf h VAL 66 Ca -0.14 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1faf h VAL 66 Cb 1.81 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1faf h VAL 66 CO 0.09 0.16 0.44 0.22 0.02 0.00 0.00 177.57 178.50 1faf h TYR 67 N 0.86 1.00 0.00 1.57 3.20 -1.13 -2.30 116.97 120.17 1faf h TYR 67 Ca 0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1faf h TYR 67 Cb -0.01 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.93 1faf h TYR 67 CO -0.04 0.68 -0.68 0.27 -1.64 0.00 0.00 178.16 176.75 1faf n ASN 68 N -4.38 0.61 0.23 -2.11 0.23 -0.80 -3.94 115.26 105.10 1faf n ASN 68 Ca 0.08 -0.10 0.07 0.00 -0.53 0.00 0.00 54.58 54.10 1faf n ASN 68 Cb 0.08 0.35 0.54 0.00 -2.08 0.00 0.00 39.78 38.66 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 0.00 0.00 -4.53 8.10 0.16 -1.38 115.31 117.66 1faf h LEU 69 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1faf h LEU 69 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 1faf h LEU 69 CO 0.00 0.21 0.00 0.54 -4.11 0.00 0.00 178.44 175.08 1faf n ARG 70 N -4.00 0.66 -0.03 0.17 1.74 -1.22 -2.32 116.66 111.65 1faf n ARG 70 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1faf n ARG 70 Cb 0.29 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.28 -0.97 5.56 2.81 -0.53 -4.54 117.12 119.77 1faf n MET 71 Ca 0.15 -0.06 -0.21 0.00 -1.81 0.00 0.00 57.70 55.77 1faf n MET 71 Cb 0.07 -1.27 0.07 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.14 6.05 -0.97 7.83 3.02 -0.98 -4.39 115.26 123.68 1faf n ASN 72 Ca -0.09 -3.22 0.05 0.00 -0.03 0.00 0.00 54.58 51.29 1faf n ASN 72 Cb 0.56 -0.96 0.19 0.00 -0.61 0.00 0.00 39.78 38.97 1faf n ASN 72 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1faf n LEU 73 N -0.16 2.77 0.00 3.41 4.32 -1.25 -4.88 117.00 121.22 1faf n LEU 73 Ca 0.39 -1.40 0.00 0.00 -0.02 0.00 0.00 56.01 54.99 1faf n LEU 73 Cb 0.76 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1faf n LEU 73 CO 0.48 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 177.75 1faf n GLY 74 N 0.76 5.04 1.22 -0.72 0.00 -1.26 -5.07 105.19 105.16 1faf n GLY 74 Ca 0.14 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.42 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 0.70 2.89 3.76 -0.02 0.00 -1.26 -5.09 105.19 106.17 1faf n GLY 75 Ca 0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.63 2.51 -0.05 2.61 -1.32 -1.26 -4.99 115.64 111.50 1faf s THR 76 Ca 0.36 0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 61.15 1faf s THR 76 Cb 0.38 -3.17 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 1faf s THR 76 CO -0.12 -0.02 -0.11 0.61 -2.21 0.00 0.00 174.62 172.77 1faf n GLY 77 N 0.60 -0.47 3.51 6.08 0.00 -1.26 -4.94 105.19 108.71 1faf n GLY 77 Ca 0.11 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1faf n GLY 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1faf s PHE 78 N -1.62 3.23 -2.58 1.61 -0.71 -1.26 -5.25 117.98 111.40 1faf s PHE 78 Ca -0.09 -0.33 0.27 0.00 -1.04 0.00 0.00 56.93 55.74 1faf s PHE 78 Cb 0.01 -2.50 0.91 0.00 -1.21 0.00 0.00 43.02 40.23 1faf s PHE 78 CO 0.13 -0.43 1.67 0.00 -1.34 0.00 0.00 175.22 175.25