#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 6.58 -0.56 7.83 1.01 -1.26 -4.98 116.67 125.30 1faf s ASP 2 Ca 0.00 2.77 0.07 0.00 0.71 0.00 0.00 52.55 56.09 1faf s ASP 2 Cb 0.00 -2.65 0.26 0.00 1.01 0.00 0.00 42.92 41.54 1faf s ASP 2 CO 0.00 -0.68 0.69 -1.14 0.21 0.00 0.00 175.17 174.26 1faf n ARG 3 N 0.58 2.00 -4.02 8.23 0.63 -1.26 -5.05 116.66 117.77 1faf n ARG 3 Ca 0.01 -4.23 -0.23 0.00 -0.92 0.00 0.00 57.85 52.48 1faf n ARG 3 Cb 0.42 -1.94 -0.17 0.00 0.45 0.00 0.00 32.46 31.22 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1faf s VAL 4 N -2.20 0.66 0.31 5.15 -7.23 -1.26 -4.82 120.40 111.01 1faf s VAL 4 Ca 0.39 -0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 60.24 1faf s VAL 4 Cb 0.17 -0.72 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 1faf s VAL 4 CO -0.05 0.28 0.81 -1.48 -0.31 0.00 0.00 175.10 174.36 1faf s LEU 5 N 1.41 4.18 0.00 1.32 2.34 -1.26 -5.08 118.68 121.59 1faf s LEU 5 Ca -0.03 1.51 -0.03 0.00 0.06 0.00 0.00 54.13 55.64 1faf s LEU 5 Cb -0.13 -3.99 0.12 0.00 -0.56 0.00 0.00 46.19 41.63 1faf s LEU 5 CO -0.03 -0.13 0.81 -1.54 -1.06 0.00 0.00 176.35 174.40 1faf n SER 6 N 0.11 0.79 -0.13 1.48 3.41 -1.26 -4.82 113.62 113.21 1faf n SER 6 Ca 0.02 -1.74 0.12 0.00 -0.26 0.00 0.00 58.87 57.01 1faf n SER 6 Cb 0.52 -0.55 0.47 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.47 -0.55 4.33 -0.00 -1.99 -0.83 114.38 115.81 1faf h ARG 7 Ca -0.27 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.98 59.62 1faf h ARG 7 Cb 0.91 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.97 30.75 1faf h ARG 7 CO 0.26 0.31 0.09 0.00 -0.00 0.00 0.00 179.97 180.63 1faf h ALA 8 N 1.67 0.73 0.50 0.08 0.00 -1.97 0.13 119.26 120.39 1faf h ALA 8 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1faf h ALA 8 Cb 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1faf h ALA 8 CO -0.10 0.46 -0.24 -0.44 0.00 0.00 0.00 179.25 178.94 1faf h ASP 9 N 0.79 -0.57 -0.92 0.00 5.19 -1.53 0.47 116.42 119.84 1faf h ASP 9 Ca 0.17 -0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1faf h ASP 9 Cb 0.40 0.15 -0.05 0.00 0.18 0.00 0.00 39.33 40.01 1faf h ASP 9 CO 0.01 -0.25 0.61 0.07 -3.12 0.00 0.00 179.24 176.56 1faf h LYS 10 N -0.92 1.19 -0.16 3.56 5.09 -1.36 0.62 116.57 124.60 1faf h LYS 10 Ca -0.07 -0.07 -0.05 0.00 0.09 0.00 0.00 60.65 60.55 1faf h LYS 10 Cb 0.60 -0.27 -0.01 0.00 0.10 0.00 0.00 32.23 32.65 1faf h LYS 10 CO 0.11 0.79 -0.14 0.93 -2.09 0.00 0.00 179.45 179.05 1faf h GLU 11 N 1.23 0.26 0.15 0.07 4.39 -0.71 -1.94 114.58 118.02 1faf h GLU 11 Ca 0.35 -0.06 -0.29 0.00 0.34 0.00 0.00 59.36 59.70 1faf h GLU 11 Cb -0.10 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1faf h GLU 11 CO -0.09 0.41 -1.27 -0.09 -1.16 0.00 0.00 179.01 176.81 1faf h ARG 12 N 0.24 0.40 -0.28 2.33 9.65 0.49 -3.09 114.38 124.12 1faf h ARG 12 Ca 0.05 -0.63 0.01 0.00 -1.10 0.00 0.00 59.98 58.31 1faf h ARG 12 Cb 0.41 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1faf h ARG 12 CO 0.02 1.28 0.19 1.25 2.80 0.00 0.00 179.97 185.52 1faf h LEU 13 N 0.14 0.31 -0.17 3.80 5.85 0.62 -2.19 115.31 123.67 1faf h LEU 13 Ca -0.17 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.39 1faf h LEU 13 Cb 1.97 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1faf h LEU 13 CO 0.22 0.22 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.99 1faf h LEU 14 N 0.37 0.72 -1.34 2.25 3.38 -1.38 -1.98 115.31 117.33 1faf h LEU 14 Ca 0.11 -0.59 0.20 0.00 0.09 0.00 0.00 57.88 57.69 1faf h LEU 14 Cb -0.02 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.44 1faf h LEU 14 CO -0.02 1.18 0.61 -0.33 0.09 0.00 0.00 178.44 179.97 1faf h GLU 15 N 0.30 0.51 0.00 1.13 4.39 -1.31 0.56 114.58 120.16 1faf h GLU 15 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1faf h GLU 15 Cb 1.11 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1faf h GLU 15 CO 0.10 0.34 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.64 1faf h LEU 16 N 0.53 0.00 -0.28 1.33 4.07 -1.47 -3.28 115.31 116.20 1faf h LEU 16 Ca 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.44 1faf h LEU 16 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1faf h LEU 16 CO -0.24 0.01 -0.35 0.18 -1.08 0.00 0.00 178.44 176.96 1faf n LEU 17 N -2.72 0.78 -1.33 1.67 7.99 0.16 -4.79 117.00 118.77 1faf n LEU 17 Ca 0.02 -0.14 -0.15 0.00 -0.01 0.00 0.00 56.01 55.73 1faf n LEU 17 Cb 0.52 -0.18 -0.06 0.00 -0.11 0.00 0.00 43.42 43.59 1faf n LEU 17 CO 0.37 0.16 -0.14 0.29 -1.51 0.00 0.00 177.39 176.56 1faf n LYS 18 N -1.02 -1.41 -3.68 3.23 5.02 0.67 -4.70 118.16 116.27 1faf n LYS 18 Ca 0.09 0.89 -0.39 0.00 -2.02 0.00 0.00 58.31 56.89 1faf n LYS 18 Cb 0.34 -5.16 -0.11 0.00 -0.02 0.00 0.00 35.03 30.07 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 -3.74 4.74 1.07 -0.35 0.20 -1.19 -5.07 118.68 114.33 1faf s LEU 19 Ca 0.00 -1.32 -0.23 0.00 0.69 0.00 0.00 54.13 53.27 1faf s LEU 19 Cb 0.00 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.82 1faf s LEU 19 CO 0.00 -0.43 -0.64 -2.65 -0.29 0.00 0.00 176.35 172.35 1faf n PRO 20 N 4.86 -0.98 0.00 0.98 -0.02 -1.26 -4.75 135.00 133.83 1faf n PRO 20 Ca -0.11 -0.28 0.14 0.00 -2.02 0.00 0.00 63.50 61.23 1faf n PRO 20 Cb 0.44 -1.42 0.49 0.00 -0.02 0.00 0.00 33.50 32.99 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 -0.23 1.09 0.08 -0.52 1.74 -1.26 -3.70 116.66 113.86 1faf n ARG 21 Ca -0.01 -0.59 -0.03 0.00 -0.77 0.00 0.00 57.85 56.46 1faf n ARG 21 Cb 0.68 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 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 1.44 0.00 -0.24 5.56 4.15 -2.05 -3.29 115.11 120.68 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 0.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1faf h GLN 22 CO 0.00 0.68 0.00 1.47 -1.93 0.00 0.00 178.83 179.05 1faf n LEU 23 N -3.23 3.16 -4.52 -2.39 -0.00 -1.25 -5.00 117.00 103.78 1faf n LEU 23 Ca -0.02 -2.52 -0.41 0.00 -0.00 0.00 0.00 56.01 53.07 1faf n LEU 23 Cb 0.86 -0.35 -0.07 0.00 -0.00 0.00 0.00 43.42 43.86 1faf n LEU 23 CO 0.44 0.68 2.03 1.87 -0.00 0.00 0.00 177.39 182.41 1faf n TRP 24 N -0.20 1.26 0.00 1.47 -0.00 -1.24 -2.57 117.44 116.15 1faf n TRP 24 Ca 0.15 0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.85 1faf n TRP 24 Cb 0.62 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.37 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 0.41 3.56 5.87 0.00 -1.26 -5.08 105.19 114.93 1faf n GLY 25 Ca 0.45 0.00 -0.36 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 5.98 0.55 1.61 -1.08 -1.06 -4.81 116.67 117.85 1faf s ASP 26 Ca 0.00 -1.29 0.30 0.00 -0.52 0.00 0.00 52.55 51.04 1faf s ASP 26 Cb 0.00 -2.57 1.46 0.00 -1.46 0.00 0.00 42.92 40.35 1faf s ASP 26 CO 0.00 -1.99 1.91 0.15 0.52 0.00 0.00 175.17 175.76 1faf h PHE 27 N 10.11 0.00 -0.11 -5.34 3.57 -1.98 -0.52 116.94 122.66 1faf h PHE 27 Ca 0.19 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 1faf h PHE 27 Cb 0.99 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.74 1faf h PHE 27 CO 1.27 0.00 -0.53 0.78 -2.23 0.00 0.00 178.31 177.60 1faf h GLY 28 N 0.00 0.61 1.54 2.40 0.00 -2.00 -2.65 103.07 102.97 1faf h GLY 28 Ca 0.35 -0.86 -0.23 0.00 0.00 0.00 0.00 47.33 46.60 1faf h GLY 28 CO -0.00 0.76 -0.96 3.21 0.00 0.00 0.00 176.54 179.55 1faf h ARG 29 N 0.17 0.41 -0.36 4.80 3.08 -1.65 -2.90 114.38 117.92 1faf h ARG 29 Ca -0.04 -0.45 -0.08 0.00 0.07 0.00 0.00 59.98 59.48 1faf h ARG 29 Cb 1.17 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1faf h ARG 29 CO 0.11 1.12 -0.08 0.00 -1.07 0.00 0.00 179.97 180.05 1faf h MET 30 N 0.23 0.70 -0.28 0.04 -0.00 -1.24 -2.57 114.93 111.81 1faf h MET 30 Ca -0.08 -0.26 -0.05 0.00 -0.00 0.00 0.00 59.70 59.30 1faf h MET 30 Cb 1.60 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 33.15 1faf h MET 30 CO 0.17 0.85 -0.04 0.37 -0.00 0.00 0.00 176.91 178.25 1faf h GLN 31 N 0.49 0.43 -0.67 -0.10 4.15 -1.55 0.43 115.11 118.30 1faf h GLN 31 Ca 0.09 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1faf h GLN 31 Cb 0.59 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 1faf h GLN 31 CO 0.03 0.49 0.26 1.96 -1.93 0.00 0.00 178.83 179.65 1faf h GLN 32 N 0.41 0.98 0.03 1.69 1.08 -1.28 -2.04 115.11 115.98 1faf h GLN 32 Ca 0.09 -0.16 -0.23 0.00 -1.45 0.00 0.00 58.65 56.89 1faf h GLN 32 Cb 0.34 -0.17 0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1faf h GLN 32 CO 0.01 0.80 -0.93 0.00 -0.95 0.00 0.00 178.83 177.76 1faf h ALA 33 N 1.32 0.07 -0.54 3.87 0.00 -0.98 -2.60 119.26 120.41 1faf h ALA 33 Ca 0.22 -0.67 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1faf h ALA 33 Cb 0.19 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1faf h ALA 33 CO -0.02 0.56 0.12 -0.92 0.00 0.00 0.00 179.25 179.00 1faf h TYR 34 N 0.18 0.20 -0.31 0.00 5.03 -0.69 0.43 116.97 121.80 1faf h TYR 34 Ca -0.13 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.07 1faf h TYR 34 Cb 1.62 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.89 1faf h TYR 34 CO 0.12 -0.00 -0.41 -0.22 -1.32 0.00 0.00 178.16 176.33 1faf h LYS 35 N 0.26 0.76 0.41 1.82 3.64 -1.45 0.04 116.57 122.06 1faf h LYS 35 Ca 0.28 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1faf h LYS 35 Cb 0.38 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1faf h LYS 35 CO -0.35 1.03 -0.20 1.96 -2.27 0.00 0.00 179.45 179.63 1faf h GLN 36 N 0.62 -0.53 0.00 1.90 1.08 -0.88 -2.89 115.11 114.41 1faf h GLN 36 Ca 0.05 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1faf h GLN 36 Cb 0.97 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1faf h GLN 36 CO 0.09 -0.24 0.00 1.96 -0.95 0.00 0.00 178.83 179.69 1faf h GLN 37 N -0.80 0.00 0.00 1.46 1.08 -0.24 -2.46 115.11 114.16 1faf h GLN 37 Ca -0.06 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 1faf h GLN 37 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1faf h GLN 37 CO 0.09 0.00 -0.29 0.77 -0.95 0.00 0.00 178.83 178.46 1faf h SER 38 N 0.00 0.00 -0.11 1.46 0.02 -0.76 -1.19 113.55 112.97 1faf h SER 38 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1faf h SER 38 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1faf h SER 38 CO 0.00 0.29 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.34 1faf h LEU 39 N 0.00 0.79 0.00 5.07 3.38 -1.36 -3.03 115.31 120.16 1faf h LEU 39 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1faf h LEU 39 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1faf h LEU 39 CO 0.04 1.18 -0.26 0.00 0.09 0.00 0.00 178.44 179.49 1faf n LEU 40 N -3.97 0.32 -0.73 1.67 -0.00 -1.02 -3.41 117.00 109.87 1faf n LEU 40 Ca -0.04 0.27 0.13 0.00 -0.00 0.00 0.00 56.01 56.37 1faf n LEU 40 Cb 0.62 -0.36 0.33 0.00 -0.00 0.00 0.00 43.42 44.02 1faf n LEU 40 CO 0.49 0.03 0.76 0.18 -0.00 0.00 0.00 177.39 178.85 1faf n LEU 41 N -1.61 2.24 -4.77 1.47 4.77 -0.48 -4.22 117.00 114.40 1faf n LEU 41 Ca 0.06 -0.81 -0.39 0.00 -0.03 0.00 0.00 56.01 54.84 1faf n LEU 41 Cb 0.35 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1faf n LEU 41 CO 0.31 0.40 0.53 -2.28 -1.33 0.00 0.00 177.39 175.03 1faf s HIS 42 N -1.91 3.88 -1.09 -1.77 2.46 -1.17 -4.09 115.29 111.61 1faf s HIS 42 Ca 0.34 1.70 0.04 0.00 0.47 0.00 0.00 55.06 57.60 1faf s HIS 42 Cb 0.20 -2.82 0.17 0.00 -0.13 0.00 0.00 32.58 30.00 1faf s HIS 42 CO 0.31 0.45 1.09 -0.35 -2.47 0.00 0.00 174.74 173.77 1faf n PRO 43 N 1.37 0.01 -0.01 2.88 -0.04 -1.26 -1.44 135.00 136.51 1faf n PRO 43 Ca -0.04 0.40 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 1faf n PRO 43 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 1faf n PRO 43 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1faf n ASP 44 N -1.46 0.61 -2.14 3.54 2.03 -1.26 -4.08 116.55 113.79 1faf n ASP 44 Ca 0.01 0.27 -0.20 0.00 0.52 0.00 0.00 54.79 55.39 1faf n ASP 44 Cb 0.04 0.45 0.19 0.00 -0.72 0.00 0.00 41.12 41.08 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 -2.84 2.43 -2.65 -0.67 4.01 -0.52 -4.95 118.16 112.98 1faf n LYS 45 Ca -0.16 -2.89 -0.05 0.00 -0.51 0.00 0.00 58.31 54.70 1faf n LYS 45 Cb 0.93 -2.14 0.01 0.00 -0.51 0.00 0.00 35.03 33.32 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 -0.92 -1.95 2.91 0.72 0.00 -1.20 -4.83 105.19 99.91 1faf n GLY 46 Ca 0.54 0.92 -0.09 0.00 0.00 0.00 0.00 46.02 47.39 1faf n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1faf n GLY 47 N -0.09 1.62 3.78 -0.02 0.00 -1.19 -4.86 105.19 104.43 1faf n GLY 47 Ca 0.08 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 1faf n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1faf s SER 48 N -2.70 6.92 0.13 1.61 0.01 -1.26 -4.63 113.70 113.77 1faf s SER 48 Ca 0.17 1.09 -0.14 0.00 1.31 0.00 0.00 55.95 58.38 1faf s SER 48 Cb -0.03 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1faf s SER 48 CO 0.12 0.16 1.53 0.45 0.41 0.00 0.00 173.24 175.92 1faf h HIS 49 N 5.41 0.89 -0.24 2.43 -0.00 -1.96 -2.83 115.15 118.85 1faf h HIS 49 Ca -0.47 -0.20 -0.11 0.00 -0.00 0.00 0.00 60.37 59.60 1faf h HIS 49 Cb 1.20 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 1faf h HIS 49 CO 0.66 0.92 -0.32 0.00 -0.00 0.00 0.00 177.93 179.19 1faf h ALA 50 N 0.84 0.99 -0.09 2.45 0.00 -1.94 -3.13 119.26 118.38 1faf h ALA 50 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1faf h ALA 50 Cb 0.65 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1faf h ALA 50 CO 0.04 0.60 0.06 -0.07 0.00 0.00 0.00 179.25 179.88 1faf h LEU 51 N 0.43 0.10 -1.15 0.00 3.38 -1.89 0.38 115.31 116.56 1faf h LEU 51 Ca 0.05 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.17 1faf h LEU 51 Cb 0.78 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1faf h LEU 51 CO 0.06 0.08 0.61 -0.03 0.09 0.00 0.00 178.44 179.25 1faf h MET 52 N 0.11 0.74 0.00 1.13 4.05 -1.45 0.11 114.93 119.61 1faf h MET 52 Ca 0.03 -0.04 -0.18 0.00 -0.28 0.00 0.00 59.70 59.23 1faf h MET 52 Cb -0.00 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1faf h MET 52 CO -0.01 0.49 -0.82 1.96 0.23 0.00 0.00 176.91 178.76 1faf h GLN 53 N 0.76 0.05 0.28 0.39 1.08 -1.41 -3.03 115.11 113.24 1faf h GLN 53 Ca 0.51 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.64 1faf h GLN 53 Cb 0.77 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1faf h GLN 53 CO -0.27 0.84 -0.14 1.49 -0.95 0.00 0.00 178.83 179.80 1faf h GLU 54 N 0.03 -0.37 -0.32 1.46 4.81 0.14 0.12 114.58 120.45 1faf h GLU 54 Ca -0.02 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1faf h GLU 54 Cb 1.44 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.88 1faf h GLU 54 CO 0.11 -0.19 0.16 1.25 -0.73 0.00 0.00 179.01 179.61 1faf h LEU 55 N -0.46 0.23 -0.52 1.64 5.85 -1.43 0.72 115.31 121.34 1faf h LEU 55 Ca -0.04 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1faf h LEU 55 Cb 0.35 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1faf h LEU 55 CO 0.06 0.17 0.31 0.78 -0.34 0.00 0.00 178.44 179.42 1faf h ASN 56 N 0.32 0.50 0.44 1.25 2.35 -1.44 1.08 115.58 120.08 1faf h ASN 56 Ca 0.13 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 1faf h ASN 56 Cb 0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1faf h ASN 56 CO -0.10 0.35 -0.66 0.28 -1.65 0.00 0.00 177.43 175.65 1faf h SER 57 N 0.61 0.24 1.62 5.81 0.02 -0.59 -0.11 113.55 121.15 1faf h SER 57 Ca 0.21 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1faf h SER 57 Cb 0.03 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1faf h SER 57 CO -0.10 0.84 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.98 1faf h LEU 58 N 0.15 0.00 0.00 5.07 3.38 0.10 -3.16 115.31 120.84 1faf h LEU 58 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1faf h LEU 58 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1faf h LEU 58 CO 0.10 0.28 -1.50 1.87 0.09 0.00 0.00 178.44 179.28 1faf n TRP 59 N -3.12 0.96 0.13 1.13 -0.00 0.37 -3.34 117.44 113.56 1faf n TRP 59 Ca 0.02 0.33 -0.05 0.00 -0.00 0.00 0.00 57.50 57.79 1faf n TRP 59 Cb 0.65 -1.10 -0.03 0.00 -0.00 0.00 0.00 31.31 30.83 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 3.68 -0.37 0.07 5.87 0.00 -1.06 0.23 103.07 111.50 1faf h GLY 60 Ca -0.19 0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.37 1faf h GLY 60 CO 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 176.54 176.38 1faf h THR 61 N -0.56 0.54 -0.61 4.70 1.03 -1.76 0.22 112.91 116.47 1faf h THR 61 Ca -0.04 -0.01 0.11 0.00 -0.01 0.00 0.00 66.41 66.46 1faf h THR 61 Cb 0.27 0.50 -0.12 0.00 -1.07 0.00 0.00 68.15 67.74 1faf h THR 61 CO 0.06 0.01 -0.33 0.15 -0.01 0.00 0.00 175.52 175.40 1faf h PHE 62 N 0.03 -0.89 -0.98 0.00 3.57 -1.61 0.37 116.94 117.43 1faf h PHE 62 Ca 0.24 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.97 1faf h PHE 62 Cb 0.37 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 39.50 1faf h PHE 62 CO -0.38 -0.38 0.62 -0.22 -2.23 0.00 0.00 178.31 175.72 1faf h LYS 63 N -0.15 0.81 -1.01 1.11 3.64 0.26 0.23 116.57 121.48 1faf h LYS 63 Ca 0.24 -0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.81 1faf h LYS 63 Cb 0.55 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.09 1faf h LYS 63 CO -0.69 0.54 0.63 1.15 -2.27 0.00 0.00 179.45 178.81 1faf h THR 64 N 0.84 0.60 0.00 1.00 2.02 0.12 0.67 112.91 118.15 1faf h THR 64 Ca 0.52 -0.18 -0.25 0.00 0.77 0.00 0.00 66.41 67.27 1faf h THR 64 Cb 0.71 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1faf h THR 64 CO -0.29 0.09 -1.35 -0.33 0.37 0.00 0.00 175.52 174.02 1faf h GLU 65 N 0.52 0.00 -0.78 6.66 4.39 -0.55 -3.35 114.58 121.48 1faf h GLU 65 Ca 0.58 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.32 1faf h GLU 65 Cb 1.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 1faf h GLU 65 CO -0.33 0.72 0.49 0.28 -1.16 0.00 0.00 179.01 179.01 1faf h VAL 66 N 0.00 1.09 -0.64 3.13 2.07 0.30 0.83 116.25 123.03 1faf h VAL 66 Ca -0.15 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1faf h VAL 66 Cb 1.87 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1faf h VAL 66 CO 0.10 0.17 0.28 1.88 0.02 0.00 0.00 177.57 180.02 1faf h TYR 67 N 0.93 0.92 0.00 1.57 -1.99 -1.10 -2.42 116.97 114.87 1faf h TYR 67 Ca 0.32 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1faf h TYR 67 Cb 0.06 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.50 1faf h TYR 67 CO -0.04 0.69 -0.69 0.27 -0.00 0.00 0.00 178.16 178.39 1faf n ASN 68 N -4.33 0.62 -0.31 3.88 0.23 -0.78 -4.05 115.26 110.52 1faf n ASN 68 Ca 0.06 -0.09 -0.02 0.00 -0.53 0.00 0.00 54.58 54.00 1faf n ASN 68 Cb 0.15 0.35 0.15 0.00 -2.08 0.00 0.00 39.78 38.35 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 1.04 0.00 -4.53 8.10 0.12 0.43 115.31 120.47 1faf h LEU 69 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 57.94 1faf h LEU 69 Cb 0.66 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1faf h LEU 69 CO 0.00 0.78 0.00 0.54 -4.11 0.00 0.00 178.44 175.65 1faf n ARG 70 N -4.38 0.75 -0.01 0.17 1.74 -1.23 -1.41 116.66 112.29 1faf n ARG 70 Ca 0.10 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 1faf n ARG 70 Cb 0.05 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 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 2.85 -0.02 5.56 2.81 -0.10 -4.88 117.12 122.37 1faf n MET 71 Ca 0.17 -0.01 -0.02 0.00 -1.81 0.00 0.00 57.70 56.03 1faf n MET 71 Cb 0.08 -1.05 -0.01 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 -1.96 0.48 -4.50 7.83 4.13 0.13 -4.73 115.26 116.65 1faf n ASN 72 Ca -0.03 0.15 -0.29 0.00 1.68 0.00 0.00 54.58 56.09 1faf n ASN 72 Cb 0.45 -0.57 -0.06 0.00 -1.54 0.00 0.00 39.78 38.06 1faf n ASN 72 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1faf n LEU 73 N -2.96 3.14 -2.71 3.41 4.77 -0.50 -4.50 117.00 117.65 1faf n LEU 73 Ca -0.03 -3.15 -0.07 0.00 -0.03 0.00 0.00 56.01 52.73 1faf n LEU 73 Cb 0.12 -1.69 0.08 0.00 -2.33 0.00 0.00 43.42 39.60 1faf n LEU 73 CO 0.05 -1.72 0.42 0.61 -1.33 0.00 0.00 177.39 175.41 1faf n GLY 74 N 5.68 -0.46 3.93 -0.72 0.00 -1.26 -4.72 105.19 107.64 1faf n GLY 74 Ca 0.45 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 46.59 1faf n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1faf s GLY 75 N -1.00 1.79 -0.10 -0.02 0.00 -1.26 -4.99 107.32 101.73 1faf s GLY 75 Ca 0.26 -1.23 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 1faf s GLY 75 CO -0.15 -0.44 1.24 -1.08 0.00 0.00 0.00 173.10 172.66 1faf s THR 76 N -3.89 4.25 0.00 0.90 -1.32 -1.26 -4.85 115.64 109.47 1faf s THR 76 Ca 0.75 1.55 0.00 0.00 -1.21 0.00 0.00 61.69 62.78 1faf s THR 76 Cb -0.03 -4.00 0.00 0.00 -1.51 0.00 0.00 72.50 66.96 1faf s THR 76 CO 0.53 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.49 1faf n GLY 77 N 3.49 -1.83 3.58 6.08 0.00 -1.26 -5.13 105.19 110.12 1faf n GLY 77 Ca 0.12 0.81 -0.42 0.00 0.00 0.00 0.00 46.02 46.53 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 3.14 -2.60 1.61 0.40 -1.26 -5.23 117.98 114.04 1faf s PHE 78 Ca 0.00 0.47 0.27 0.00 -0.60 0.00 0.00 56.93 57.07 1faf s PHE 78 Cb 0.00 -3.25 0.88 0.00 0.51 0.00 0.00 43.02 41.16 1faf s PHE 78 CO 0.00 -0.66 1.65 0.94 0.70 0.00 0.00 175.22 177.85