#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 0.00 -3.87 7.83 5.75 -1.26 -5.04 116.55 119.97 1faf n ASP 2 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 1faf n ASP 2 Cb 0.00 0.04 -0.08 0.00 -1.03 0.00 0.00 41.12 40.04 1faf n ASP 2 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1faf n ARG 3 N -1.15 2.43 -3.76 0.11 5.12 -1.26 -5.03 116.66 113.12 1faf n ARG 3 Ca 0.00 -4.54 -0.18 0.00 -1.93 0.00 0.00 57.85 51.20 1faf n ARG 3 Cb 0.00 -2.34 -0.17 0.00 -1.16 0.00 0.00 32.46 28.79 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1faf s VAL 4 N -1.76 0.01 0.16 1.55 -7.23 -1.26 -4.90 120.40 106.97 1faf s VAL 4 Ca 0.30 0.27 -0.16 0.00 -1.81 0.00 0.00 61.98 60.57 1faf s VAL 4 Cb -0.00 -0.19 -0.07 0.00 0.56 0.00 0.00 36.38 36.68 1faf s VAL 4 CO -0.10 0.15 0.59 -1.48 -0.31 0.00 0.00 175.10 173.95 1faf s LEU 5 N 1.57 4.35 0.00 1.32 0.05 -1.26 -5.09 118.68 119.62 1faf s LEU 5 Ca -0.02 1.16 -0.03 0.00 0.05 0.00 0.00 54.13 55.29 1faf s LEU 5 Cb -0.13 -3.32 0.14 0.00 -2.05 0.00 0.00 46.19 40.83 1faf s LEU 5 CO -0.03 0.10 0.93 -1.54 -0.55 0.00 0.00 176.35 175.26 1faf n SER 6 N 0.83 1.01 -0.29 1.48 3.41 -1.26 -4.68 113.62 114.12 1faf n SER 6 Ca -0.05 -1.91 0.16 0.00 -0.26 0.00 0.00 58.87 56.81 1faf n SER 6 Cb 0.52 -0.62 0.42 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.58 -0.12 4.33 -0.00 -1.98 0.24 114.38 117.43 1faf h ARG 7 Ca -0.31 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.98 59.62 1faf h ARG 7 Cb 1.07 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.97 30.91 1faf h ARG 7 CO 0.31 0.38 -0.01 0.00 -0.00 0.00 0.00 179.97 180.65 1faf h ALA 8 N 1.61 0.16 0.16 0.08 0.00 -1.98 -0.75 119.26 118.56 1faf h ALA 8 Ca 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1faf h ALA 8 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1faf h ALA 8 CO -0.25 -0.13 -0.08 -0.44 0.00 0.00 0.00 179.25 178.34 1faf h ASP 9 N -0.07 -0.18 -0.66 0.00 3.32 -1.62 -1.28 116.42 115.93 1faf h ASP 9 Ca 0.03 -0.30 0.09 0.00 0.02 0.00 0.00 57.03 56.88 1faf h ASP 9 Cb 0.38 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1faf h ASP 9 CO 0.01 0.23 0.44 0.07 -1.72 0.00 0.00 179.24 178.27 1faf h LYS 10 N -0.64 0.51 -0.14 3.56 2.10 -0.65 0.29 116.57 121.60 1faf h LYS 10 Ca -0.02 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.49 1faf h LYS 10 Cb 0.47 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1faf h LYS 10 CO 0.04 0.34 -0.39 0.93 -2.00 0.00 0.00 179.45 178.36 1faf h GLU 11 N 0.53 0.30 -0.37 0.07 4.39 -1.03 -2.49 114.58 115.98 1faf h GLU 11 Ca 0.30 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1faf h GLU 11 Cb 0.49 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1faf h GLU 11 CO -0.10 0.65 0.02 -0.09 -1.16 0.00 0.00 179.01 178.33 1faf h ARG 12 N 0.25 0.57 -0.44 2.33 2.43 0.77 -1.72 114.38 118.57 1faf h ARG 12 Ca 0.02 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1faf h ARG 12 Cb 0.81 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1faf h ARG 12 CO 0.06 0.58 0.02 1.25 -1.51 0.00 0.00 179.97 180.38 1faf h LEU 13 N 0.55 0.67 -0.92 3.80 5.85 -0.89 -2.39 115.31 121.97 1faf h LEU 13 Ca 0.12 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1faf h LEU 13 Cb 0.32 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1faf h LEU 13 CO 0.01 0.72 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.57 1faf h LEU 14 N 0.67 0.57 0.07 2.25 3.38 -1.15 -2.09 115.31 119.01 1faf h LEU 14 Ca 0.14 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1faf h LEU 14 Cb 0.38 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1faf h LEU 14 CO 0.01 0.77 -0.11 -0.08 0.09 0.00 0.00 178.44 179.12 1faf h GLU 15 N 0.51 -0.22 0.00 1.13 4.81 -0.94 -1.13 114.58 118.74 1faf h GLU 15 Ca 0.08 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1faf h GLU 15 Cb 0.62 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1faf h GLU 15 CO 0.04 -0.14 0.00 1.28 -0.73 0.00 0.00 179.01 179.46 1faf n LEU 16 N -5.23 0.33 -0.03 1.64 7.99 -1.16 -2.55 117.00 117.98 1faf n LEU 16 Ca -0.07 0.56 0.12 0.00 -0.01 0.00 0.00 56.01 56.62 1faf n LEU 16 Cb 0.16 -0.50 0.25 0.00 -0.11 0.00 0.00 43.42 43.22 1faf n LEU 16 CO 0.30 -0.29 0.46 0.18 -1.51 0.00 0.00 177.39 176.53 1faf n LEU 17 N -1.84 0.57 -1.44 2.23 7.99 -0.52 -4.78 117.00 119.21 1faf n LEU 17 Ca 0.04 -0.04 -0.15 0.00 -0.01 0.00 0.00 56.01 55.85 1faf n LEU 17 Cb 0.26 -0.23 -0.06 0.00 -0.11 0.00 0.00 43.42 43.27 1faf n LEU 17 CO 0.20 0.14 -0.14 0.29 -1.51 0.00 0.00 177.39 176.37 1faf n LYS 18 N -1.40 -1.33 -3.82 3.23 4.01 -0.68 -4.70 118.16 113.47 1faf n LYS 18 Ca 0.06 0.89 -0.36 0.00 -0.51 0.00 0.00 58.31 58.38 1faf n LYS 18 Cb 0.34 -5.17 -0.13 0.00 -0.51 0.00 0.00 35.03 29.56 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 -4.00 4.12 1.05 -0.35 0.20 -1.17 -5.09 118.68 113.44 1faf s LEU 19 Ca 0.00 -1.20 -0.21 0.00 0.69 0.00 0.00 54.13 53.41 1faf s LEU 19 Cb 0.00 -1.80 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 1faf s LEU 19 CO 0.00 -0.29 -0.54 -2.65 -0.29 0.00 0.00 176.35 172.58 1faf n PRO 20 N 4.73 -0.82 0.00 0.98 -0.02 -1.26 -4.73 135.00 133.88 1faf n PRO 20 Ca -0.13 -0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.26 1faf n PRO 20 Cb 0.44 -1.43 0.37 0.00 -0.02 0.00 0.00 33.50 32.86 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 -0.16 0.85 0.16 -0.52 3.00 -1.26 -3.87 116.66 114.86 1faf n ARG 21 Ca 0.00 -0.50 0.05 0.00 -0.01 0.00 0.00 57.85 57.38 1faf n ARG 21 Cb 0.65 -1.49 0.12 0.00 0.00 0.00 0.00 32.46 31.74 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1faf h GLN 22 N 1.23 0.00 -0.30 5.56 4.15 -2.05 -3.20 115.11 120.50 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 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1faf h GLN 22 CO 0.00 0.41 0.00 1.47 -1.93 0.00 0.00 178.83 178.78 1faf n LEU 23 N -3.26 3.01 -4.61 -2.39 -0.00 -1.25 -5.02 117.00 103.48 1faf n LEU 23 Ca 0.02 -2.19 -0.52 0.00 -0.00 0.00 0.00 56.01 53.31 1faf n LEU 23 Cb 0.66 -0.27 -0.06 0.00 -0.00 0.00 0.00 43.42 43.75 1faf n LEU 23 CO 0.39 0.70 1.55 1.87 -0.00 0.00 0.00 177.39 181.90 1faf n TRP 24 N 0.23 1.99 0.00 1.47 -0.00 -1.21 -2.76 117.44 117.15 1faf n TRP 24 Ca 0.12 0.28 0.00 0.00 -0.00 0.00 0.00 57.50 57.90 1faf n TRP 24 Cb 0.49 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.25 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 5.09 1.32 3.57 5.87 0.00 -1.26 -5.07 105.19 114.71 1faf n GLY 25 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.16 5.56 0.31 1.61 2.15 -1.11 -4.81 116.67 120.22 1faf s ASP 26 Ca 0.00 -1.21 0.07 0.00 0.43 0.00 0.00 52.55 51.84 1faf s ASP 26 Cb 0.00 -2.57 0.87 0.00 -0.30 0.00 0.00 42.92 40.92 1faf s ASP 26 CO 0.00 -2.41 1.66 0.15 -0.17 0.00 0.00 175.17 174.40 1faf h PHE 27 N 10.30 0.62 -0.55 -5.34 3.57 -1.97 0.20 116.94 123.77 1faf h PHE 27 Ca 0.18 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1faf h PHE 27 Cb 0.98 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1faf h PHE 27 CO 1.25 -0.18 0.17 0.78 -2.23 0.00 0.00 178.31 178.10 1faf h GLY 28 N 0.28 0.89 1.23 2.40 0.00 -1.99 -0.16 103.07 105.72 1faf h GLY 28 Ca 0.63 -0.49 -0.33 0.00 0.00 0.00 0.00 47.33 47.14 1faf h GLY 28 CO -0.62 0.46 -1.52 3.21 0.00 0.00 0.00 176.54 178.06 1faf h ARG 29 N 0.81 0.42 -0.15 4.80 2.47 -1.12 -2.90 114.38 118.70 1faf h ARG 29 Ca 0.18 -0.72 -0.05 0.00 -1.26 0.00 0.00 59.98 58.13 1faf h ARG 29 Cb 0.25 0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1faf h ARG 29 CO -0.01 1.33 -0.12 0.00 0.56 0.00 0.00 179.97 181.73 1faf h MET 30 N 0.12 0.35 -0.73 0.04 -0.00 -0.86 -2.27 114.93 111.58 1faf h MET 30 Ca -0.26 -0.17 -0.04 0.00 -0.00 0.00 0.00 59.70 59.23 1faf h MET 30 Cb 2.10 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.67 1faf h MET 30 CO 0.22 0.71 0.31 0.37 -0.00 0.00 0.00 176.91 178.52 1faf h GLN 31 N -0.01 1.06 -0.96 -0.10 4.15 -1.17 0.19 115.11 118.27 1faf h GLN 31 Ca 0.03 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.28 1faf h GLN 31 Cb 0.63 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.09 1faf h GLN 31 CO 0.03 0.85 0.63 1.96 -1.93 0.00 0.00 178.83 180.37 1faf h GLN 32 N 1.05 1.28 -0.17 1.69 4.20 -1.45 -1.77 115.11 119.93 1faf h GLN 32 Ca 0.25 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.66 1faf h GLN 32 Cb 0.17 -0.28 0.01 0.00 0.30 0.00 0.00 27.48 27.68 1faf h GLN 32 CO -0.02 0.86 -0.71 0.00 -0.67 0.00 0.00 178.83 178.28 1faf h ALA 33 N 1.38 0.32 -0.11 3.87 0.00 -0.76 -2.45 119.26 121.50 1faf h ALA 33 Ca 0.35 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1faf h ALA 33 Cb -0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1faf h ALA 33 CO -0.07 0.64 -0.24 -0.92 0.00 0.00 0.00 179.25 178.66 1faf h TYR 34 N 0.51 -0.64 0.00 0.00 5.03 -0.09 0.42 116.97 122.20 1faf h TYR 34 Ca -0.04 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1faf h TYR 34 Cb 1.34 0.30 -0.01 0.00 1.55 0.00 0.00 36.73 39.91 1faf h TYR 34 CO 0.09 -0.32 -0.27 0.87 -1.32 0.00 0.00 178.16 177.20 1faf h LYS 35 N -0.31 0.00 -0.12 1.82 1.79 -1.40 0.38 116.57 118.72 1faf h LYS 35 Ca 0.10 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.38 1faf h LYS 35 Cb 0.45 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1faf h LYS 35 CO -0.29 0.27 -0.69 0.37 -1.08 0.00 0.00 179.45 178.03 1faf h GLN 36 N 0.00 0.51 0.00 3.15 -0.00 -0.65 -3.08 115.11 115.04 1faf h GLN 36 Ca -0.00 -0.39 -0.08 0.00 -0.00 0.00 0.00 58.65 58.17 1faf h GLN 36 Cb 0.57 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.11 1faf h GLN 36 CO 0.04 1.02 -1.10 1.96 0.00 0.00 0.00 178.83 180.75 1faf h GLN 37 N 0.36 0.00 0.00 1.69 1.08 0.11 -3.33 115.11 115.02 1faf h GLN 37 Ca -0.03 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1faf h GLN 37 Cb 1.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.69 1faf h GLN 37 CO 0.13 0.16 -0.33 0.77 -0.95 0.00 0.00 178.83 178.61 1faf h SER 38 N 0.00 0.00 -0.09 1.46 0.02 -0.25 -2.21 113.55 112.48 1faf h SER 38 Ca -0.07 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1faf h SER 38 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 1faf h SER 38 CO 0.03 0.33 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.84 1faf h LEU 39 N 0.00 0.28 -0.73 5.07 3.38 -1.64 -1.47 115.31 120.20 1faf h LEU 39 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1faf h LEU 39 Cb 0.60 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1faf h LEU 39 CO 0.04 0.76 0.00 0.17 0.09 0.00 0.00 178.44 179.50 1faf h LEU 40 N -0.20 0.00 -0.13 1.67 8.10 -1.67 -2.10 115.31 120.98 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 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 1faf h LEU 40 CO 0.03 0.00 -0.71 0.18 -4.11 0.00 0.00 178.44 173.83 1faf n LEU 41 N -2.40 0.92 -4.77 0.17 4.77 -0.84 -4.37 117.00 110.48 1faf n LEU 41 Ca 0.02 -0.33 -0.40 0.00 -0.03 0.00 0.00 56.01 55.28 1faf n LEU 41 Cb 0.27 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1faf n LEU 41 CO 0.23 0.21 1.07 -2.28 -1.33 0.00 0.00 177.39 175.29 1faf s HIS 42 N -2.91 2.47 -0.94 -1.77 2.46 -0.56 -3.57 115.29 110.47 1faf s HIS 42 Ca 0.11 1.26 0.11 0.00 0.47 0.00 0.00 55.06 57.01 1faf s HIS 42 Cb 0.17 -3.92 0.48 0.00 -0.13 0.00 0.00 32.58 29.18 1faf s HIS 42 CO 0.75 -2.93 1.35 -0.35 -2.47 0.00 0.00 174.74 171.10 1faf n PRO 43 N -0.14 0.02 0.16 2.88 -0.04 -1.25 -0.93 135.00 135.70 1faf n PRO 43 Ca 0.05 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 1faf n PRO 43 Cb 0.42 -1.54 0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1faf n PRO 43 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1faf h ASP 44 N 0.00 0.00 -0.58 3.54 3.32 -1.90 -3.28 116.42 117.53 1faf h ASP 44 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1faf h ASP 44 Cb 0.17 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.57 1faf h ASP 44 CO 0.00 0.09 0.19 0.29 -1.72 0.00 0.00 179.24 178.09 1faf n LYS 45 N -2.96 2.33 -1.39 3.56 4.76 -0.82 -4.89 118.16 118.75 1faf n LYS 45 Ca 0.02 -3.09 -0.04 0.00 -2.87 0.00 0.00 58.31 52.33 1faf n LYS 45 Cb 0.58 -1.98 -0.01 0.00 -1.84 0.00 0.00 35.03 31.78 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 -0.94 0.55 3.90 0.72 0.00 -1.24 -4.94 105.19 103.25 1faf n GLY 46 Ca 0.41 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.92 1.79 0.43 -0.02 0.00 -0.11 -4.98 107.32 101.51 1faf s GLY 47 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 44.72 44.01 1faf s GLY 47 CO 0.00 -0.42 0.88 -0.56 0.00 0.00 0.00 173.10 173.00 1faf s SER 48 N -3.33 6.74 -0.12 1.64 0.01 -1.23 -3.81 113.70 113.60 1faf s SER 48 Ca 0.45 1.47 -0.24 0.00 1.31 0.00 0.00 55.95 58.95 1faf s SER 48 Cb -0.10 -2.46 -0.21 0.00 0.21 0.00 0.00 66.02 63.46 1faf s SER 48 CO 0.32 -0.40 0.69 -0.74 0.41 0.00 0.00 173.24 173.51 1faf h HIS 49 N 1.58 -0.01 -1.03 2.43 2.76 -1.96 -3.20 115.15 115.71 1faf h HIS 49 Ca -0.48 -0.00 0.30 0.00 -2.20 0.00 0.00 60.37 57.99 1faf h HIS 49 Cb 1.18 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.10 1faf h HIS 49 CO 0.62 0.75 0.74 0.00 -1.30 0.00 0.00 177.93 178.74 1faf h ALA 50 N -0.15 2.95 0.07 5.26 0.00 -1.97 -0.99 119.26 124.43 1faf h ALA 50 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1faf h ALA 50 Cb 0.77 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1faf h ALA 50 CO 0.00 -1.25 -0.03 -0.07 0.00 0.00 0.00 179.25 177.90 1faf h LEU 51 N 0.02 -0.07 -1.43 0.00 4.07 -1.94 -2.16 115.31 113.79 1faf h LEU 51 Ca 0.49 -0.55 0.02 0.00 0.08 0.00 0.00 57.88 57.92 1faf h LEU 51 Cb 1.95 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 43.68 1faf h LEU 51 CO -0.02 0.58 0.40 -0.03 -1.08 0.00 0.00 178.44 178.29 1faf h MET 52 N -0.80 0.74 0.00 1.13 4.05 -1.24 -1.64 114.93 117.18 1faf h MET 52 Ca -0.01 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.22 1faf h MET 52 Cb 0.62 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1faf h MET 52 CO 0.01 0.49 -0.70 -0.56 0.23 0.00 0.00 176.91 176.38 1faf h GLN 53 N 0.77 0.00 -0.18 0.39 3.07 -1.31 -2.36 115.11 115.49 1faf h GLN 53 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.92 1faf h GLN 53 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.55 1faf h GLN 53 CO -0.06 0.70 -0.10 1.49 0.09 0.00 0.00 178.83 180.96 1faf h GLU 54 N 0.00 0.39 -0.12 0.06 4.57 -0.63 -2.88 114.58 115.96 1faf h GLU 54 Ca -0.01 -0.17 -0.14 0.00 -1.18 0.00 0.00 59.36 57.86 1faf h GLU 54 Cb 1.37 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.95 1faf h GLU 54 CO 0.09 0.70 -0.53 1.25 -1.18 0.00 0.00 179.01 179.34 1faf h LEU 55 N 0.07 0.39 -1.80 1.64 5.85 -1.45 -2.80 115.31 117.21 1faf h LEU 55 Ca 0.04 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1faf h LEU 55 Cb 0.59 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1faf h LEU 55 CO 0.03 0.85 0.14 -1.13 -0.34 0.00 0.00 178.44 177.99 1faf h ASN 56 N 0.28 0.23 0.11 1.25 -0.73 -1.38 0.15 115.58 115.48 1faf h ASN 56 Ca 0.01 -0.01 -0.24 0.00 1.87 0.00 0.00 56.30 57.93 1faf h ASN 56 Cb 1.03 -0.06 0.02 0.00 0.27 0.00 0.00 38.32 39.59 1faf h ASN 56 CO 0.09 0.17 -0.99 0.77 -0.37 0.00 0.00 177.43 177.09 1faf h SER 57 N 0.27 0.69 0.48 1.15 4.64 -1.31 0.21 113.55 119.68 1faf h SER 57 Ca 0.08 -0.85 -0.08 0.00 -0.47 0.00 0.00 61.79 60.47 1faf h SER 57 Cb -0.01 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1faf h SER 57 CO -0.02 1.47 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.95 1faf h LEU 58 N 0.01 0.00 0.00 5.97 3.38 -1.18 -2.14 115.31 121.35 1faf h LEU 58 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1faf h LEU 58 Cb 1.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1faf h LEU 58 CO 0.19 0.40 -1.05 1.87 0.09 0.00 0.00 178.44 179.94 1faf n TRP 59 N -3.93 0.98 0.09 1.13 -0.00 0.47 -3.24 117.44 112.94 1faf n TRP 59 Ca -0.02 0.29 -0.05 0.00 -0.00 0.00 0.00 57.50 57.73 1faf n TRP 59 Cb 0.44 -0.98 -0.02 0.00 -0.00 0.00 0.00 31.31 30.76 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 3.97 -0.32 0.50 5.87 0.00 -0.56 -0.99 103.07 111.55 1faf h GLY 60 Ca -0.02 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1faf h GLY 60 CO 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 176.54 176.36 1faf h THR 61 N -0.88 0.74 -0.73 4.70 1.03 -1.60 -0.42 112.91 115.75 1faf h THR 61 Ca -0.03 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.51 1faf h THR 61 Cb 0.23 0.74 -0.14 0.00 -1.07 0.00 0.00 68.15 67.91 1faf h THR 61 CO 0.05 0.00 -0.24 0.15 -0.01 0.00 0.00 175.52 175.47 1faf h PHE 62 N -0.02 -0.59 -0.77 0.00 3.57 -1.67 0.81 116.94 118.27 1faf h PHE 62 Ca 0.12 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.80 1faf h PHE 62 Cb 0.19 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 1faf h PHE 62 CO -0.25 -0.35 0.50 -0.22 -2.23 0.00 0.00 178.31 175.76 1faf h LYS 63 N -0.05 0.58 -1.01 1.11 3.64 0.31 -0.33 116.57 120.83 1faf h LYS 63 Ca 0.33 -0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.94 1faf h LYS 63 Cb 0.56 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.12 1faf h LYS 63 CO -0.77 0.39 0.60 1.15 -2.27 0.00 0.00 179.45 178.55 1faf h THR 64 N 0.60 0.49 0.01 1.00 2.02 0.16 0.77 112.91 117.96 1faf h THR 64 Ca 0.36 -0.18 -0.26 0.00 0.77 0.00 0.00 66.41 67.11 1faf h THR 64 Cb 0.59 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1faf h THR 64 CO -0.14 0.09 -1.38 -0.33 0.37 0.00 0.00 175.52 174.14 1faf h GLU 65 N 0.51 0.02 -0.04 6.66 4.39 -1.08 -3.36 114.58 121.68 1faf h GLU 65 Ca 0.66 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.36 1faf h GLU 65 Cb 1.35 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 1faf h GLU 65 CO -0.48 0.76 -0.13 0.28 -1.16 0.00 0.00 179.01 178.27 1faf h VAL 66 N 0.00 0.66 -0.55 3.13 2.07 0.16 0.98 116.25 122.70 1faf h VAL 66 Ca -0.16 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1faf h VAL 66 Cb 1.90 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1faf h VAL 66 CO 0.11 0.00 0.41 0.22 0.02 0.00 0.00 177.57 178.33 1faf h TYR 67 N -0.21 0.00 0.00 1.57 3.20 -0.99 0.17 116.97 120.71 1faf h TYR 67 Ca 0.06 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1faf h TYR 67 Cb 0.29 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1faf h TYR 67 CO -0.21 0.00 -1.24 0.09 -1.64 0.00 0.00 178.16 175.16 1faf n ASN 68 N -4.26 0.78 0.21 -2.11 3.02 -0.14 -4.00 115.26 108.76 1faf n ASN 68 Ca 0.10 0.32 0.05 0.00 -0.03 0.00 0.00 54.58 55.02 1faf n ASN 68 Cb 0.64 0.46 0.47 0.00 -0.61 0.00 0.00 39.78 40.74 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 0.40 -1.61 115.31 125.60 1faf h LEU 69 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1faf h LEU 69 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.45 1faf h LEU 69 CO 0.02 0.26 0.00 0.54 -4.11 0.00 0.00 178.44 175.14 1faf n ARG 70 N -4.13 0.82 -0.01 0.17 1.74 -1.09 -2.31 116.66 111.86 1faf n ARG 70 Ca -0.02 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1faf n ARG 70 Cb 0.32 -1.45 -0.16 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.66 -0.05 5.56 2.81 -0.61 -0.61 117.12 123.92 1faf n MET 71 Ca 0.18 -0.16 -0.05 0.00 -1.81 0.00 0.00 57.70 55.86 1faf n MET 71 Cb 0.08 -1.55 -0.02 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.33 1.14 0.01 7.83 3.02 -1.07 -4.72 115.26 119.13 1faf n ASN 72 Ca -0.06 0.19 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1faf n ASN 72 Cb 0.61 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 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 -3.65 0.73 0.00 3.41 4.77 -0.98 -4.88 117.00 116.41 1faf n LEU 73 Ca -0.08 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1faf n LEU 73 Cb 0.29 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1faf n LEU 73 CO 0.12 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1faf n GLY 74 N 1.46 0.86 0.00 -0.72 0.00 -1.11 -4.99 105.19 100.69 1faf n GLY 74 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 5.00 2.65 3.75 -0.02 0.00 0.22 -4.91 105.19 111.88 1faf n GLY 75 Ca 0.00 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 1.40 4.03 0.00 2.61 2.01 -1.26 -4.62 115.64 119.81 1faf s THR 76 Ca 0.00 1.95 0.00 0.00 0.31 0.00 0.00 61.69 63.95 1faf s THR 76 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1faf s THR 76 CO 0.00 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1faf n GLY 77 N 1.63 0.04 3.27 4.40 0.00 -1.26 -5.07 105.19 108.20 1faf n GLY 77 Ca -0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1faf n GLY 77 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1faf n PHE 78 N -0.43 -1.70 -0.29 1.61 -1.74 -1.26 -5.19 117.46 108.47 1faf n PHE 78 Ca 0.00 0.21 0.00 0.00 -0.56 0.00 0.00 57.45 57.10 1faf n PHE 78 Cb 0.00 -1.60 0.00 0.00 1.52 0.00 0.00 39.48 39.40 1faf n PHE 78 CO 0.00 0.00 0.00 0.94 -0.56 0.00 0.00 176.76 177.14