#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 7.06 -0.92 7.83 1.01 -1.26 -4.98 116.67 125.42 1faf s ASP 2 Ca 0.00 1.94 -0.16 0.00 0.71 0.00 0.00 52.55 55.05 1faf s ASP 2 Cb 0.00 -2.57 0.18 0.00 1.01 0.00 0.00 42.92 41.54 1faf s ASP 2 CO 0.00 -0.52 0.99 -0.13 0.21 0.00 0.00 175.17 175.73 1faf s ARG 3 N 1.53 3.68 -0.06 8.23 0.52 -1.26 -4.99 118.95 126.61 1faf s ARG 3 Ca 0.58 -2.23 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 1faf s ARG 3 Cb -0.28 -4.69 0.02 0.00 0.52 0.00 0.00 34.95 30.52 1faf s ARG 3 CO 0.27 -1.53 -0.05 0.14 0.02 0.00 0.00 175.30 174.15 1faf s VAL 4 N 1.24 0.65 0.22 3.52 -7.23 -1.26 -4.80 120.40 112.73 1faf s VAL 4 Ca 0.27 -0.13 -0.11 0.00 -1.81 0.00 0.00 61.98 60.19 1faf s VAL 4 Cb -0.07 -0.69 -0.07 0.00 0.56 0.00 0.00 36.38 36.10 1faf s VAL 4 CO -0.09 0.27 0.56 -1.48 -0.31 0.00 0.00 175.10 174.06 1faf s LEU 5 N 1.27 4.20 0.00 1.32 2.34 -1.26 -5.10 118.68 121.45 1faf s LEU 5 Ca -0.05 0.99 -0.01 0.00 0.06 0.00 0.00 54.13 55.12 1faf s LEU 5 Cb -0.14 -3.61 0.03 0.00 -0.56 0.00 0.00 46.19 41.91 1faf s LEU 5 CO -0.02 -0.04 0.18 -1.54 -1.06 0.00 0.00 176.35 173.86 1faf n SER 6 N 0.07 0.16 -0.26 1.48 3.41 -1.26 -4.83 113.62 112.40 1faf n SER 6 Ca -0.01 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1faf n SER 6 Cb 0.52 -0.12 0.22 0.00 -0.26 0.00 0.00 64.21 64.57 1faf n SER 6 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1faf h ARG 7 N 0.00 1.07 -0.38 4.33 -0.00 -1.99 -2.27 114.38 115.14 1faf h ARG 7 Ca -0.06 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.35 1faf h ARG 7 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 29.97 29.91 1faf h ARG 7 CO 0.05 0.70 0.20 0.00 0.00 0.00 0.00 179.97 180.93 1faf h ALA 8 N 1.49 0.49 0.89 0.04 0.00 -1.97 0.21 119.26 120.42 1faf h ALA 8 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1faf h ALA 8 Cb -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1faf h ALA 8 CO -0.07 0.03 -0.43 -0.44 0.00 0.00 0.00 179.25 178.35 1faf h ASP 9 N 0.48 -1.01 -0.95 0.00 5.19 -1.79 0.66 116.42 119.00 1faf h ASP 9 Ca 0.13 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1faf h ASP 9 Cb 0.09 0.26 -0.06 0.00 0.18 0.00 0.00 39.33 39.80 1faf h ASP 9 CO -0.02 -0.72 0.62 0.07 -3.12 0.00 0.00 179.24 176.07 1faf h LYS 10 N -1.20 1.15 -0.35 3.56 5.09 -1.42 0.77 116.57 124.16 1faf h LYS 10 Ca -0.12 -0.07 -0.10 0.00 0.09 0.00 0.00 60.65 60.45 1faf h LYS 10 Cb 0.92 -0.26 -0.02 0.00 0.10 0.00 0.00 32.23 32.97 1faf h LYS 10 CO 0.20 0.76 -0.20 0.93 -2.09 0.00 0.00 179.45 179.05 1faf h GLU 11 N 1.19 0.67 0.02 0.07 4.39 -0.39 -1.90 114.58 118.63 1faf h GLU 11 Ca 0.38 -0.25 -0.22 0.00 0.34 0.00 0.00 59.36 59.61 1faf h GLU 11 Cb 0.03 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1faf h GLU 11 CO -0.12 0.83 -0.96 -0.09 -1.16 0.00 0.00 179.01 177.51 1faf h ARG 12 N 0.60 0.33 -0.89 2.33 9.65 0.15 -2.99 114.38 123.57 1faf h ARG 12 Ca 0.09 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1faf h ARG 12 Cb 0.67 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.32 1faf h ARG 12 CO 0.05 1.07 0.54 1.25 2.80 0.00 0.00 179.97 185.68 1faf h LEU 13 N 0.18 1.06 -0.35 3.80 5.85 0.74 -2.38 115.31 124.20 1faf h LEU 13 Ca -0.07 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1faf h LEU 13 Cb 1.60 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1faf h LEU 13 CO 0.16 0.81 0.11 -0.07 -0.34 0.00 0.00 178.44 179.10 1faf h LEU 14 N 1.22 0.52 -2.24 2.25 3.38 -1.32 -0.50 115.31 118.62 1faf h LEU 14 Ca 0.32 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1faf h LEU 14 Cb -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1faf h LEU 14 CO -0.06 0.59 0.19 -0.33 0.09 0.00 0.00 178.44 178.92 1faf h GLU 15 N 0.42 0.00 0.01 1.13 4.39 -1.29 0.44 114.58 119.69 1faf h GLU 15 Ca 0.11 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.52 1faf h GLU 15 Cb 0.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1faf h GLU 15 CO -0.00 0.00 -1.72 1.28 -1.16 0.00 0.00 179.01 177.41 1faf n LEU 16 N -3.81 1.00 -0.27 1.33 4.77 -0.89 -3.90 117.00 115.23 1faf n LEU 16 Ca 0.01 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1faf n LEU 16 Cb 0.31 0.08 0.64 0.00 -2.33 0.00 0.00 43.42 42.11 1faf n LEU 16 CO 0.27 0.42 0.93 0.18 -1.33 0.00 0.00 177.39 177.86 1faf n LEU 17 N -3.08 0.85 -1.45 2.23 4.32 -0.18 -4.86 117.00 114.83 1faf n LEU 17 Ca -0.18 -0.31 -0.14 0.00 -0.02 0.00 0.00 56.01 55.37 1faf n LEU 17 Cb 1.05 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.78 1faf n LEU 17 CO 0.45 0.15 -0.13 0.29 -1.22 0.00 0.00 177.39 176.93 1faf n LYS 18 N -0.30 -1.34 -3.69 3.23 4.01 -0.03 -4.59 118.16 115.45 1faf n LYS 18 Ca 0.19 0.80 -0.39 0.00 -0.51 0.00 0.00 58.31 58.40 1faf n LYS 18 Cb 0.23 -5.07 -0.12 0.00 -0.51 0.00 0.00 35.03 29.57 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 -3.90 4.59 1.12 -0.35 0.20 -1.07 -5.05 118.68 114.21 1faf s LEU 19 Ca 0.00 -1.18 -0.19 0.00 0.69 0.00 0.00 54.13 53.45 1faf s LEU 19 Cb 0.00 -1.93 0.11 0.00 -0.43 0.00 0.00 46.19 43.94 1faf s LEU 19 CO 0.00 -0.38 -0.01 -2.65 -0.29 0.00 0.00 176.35 173.01 1faf n PRO 20 N 4.87 -1.71 0.00 0.98 -0.02 -1.26 -4.62 135.00 133.24 1faf n PRO 20 Ca -0.12 -0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.00 1faf n PRO 20 Cb 0.45 -1.66 0.34 0.00 -0.02 0.00 0.00 33.50 32.61 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 -1.99 0.48 0.09 -0.52 -4.01 -1.26 -3.92 116.66 105.54 1faf n ARG 21 Ca 0.01 -0.28 -0.05 0.00 -1.04 0.00 0.00 57.85 56.49 1faf n ARG 21 Cb 0.61 -1.49 0.09 0.00 -3.04 0.00 0.00 32.46 28.62 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 1faf h GLN 22 N 0.67 0.18 -0.56 2.89 -0.00 -2.05 -3.07 115.11 113.18 1faf h GLN 22 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1faf h GLN 22 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.01 1faf h GLN 22 CO 0.00 0.80 0.00 1.47 0.00 0.00 0.00 178.83 181.10 1faf n LEU 23 N -3.79 4.06 -4.53 -2.39 -0.00 -1.25 -4.96 117.00 104.14 1faf n LEU 23 Ca -0.02 -2.30 -0.38 0.00 -0.00 0.00 0.00 56.01 53.30 1faf n LEU 23 Cb 0.68 -0.47 -0.06 0.00 -0.00 0.00 0.00 43.42 43.56 1faf n LEU 23 CO 0.45 0.82 2.07 1.87 -0.00 0.00 0.00 177.39 182.60 1faf n TRP 24 N 0.92 1.22 0.00 1.47 -0.00 -1.16 -2.40 117.44 117.49 1faf n TRP 24 Ca 0.22 0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.90 1faf n TRP 24 Cb 0.72 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 29.46 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 6.15 0.70 3.55 5.87 0.00 -1.26 -5.09 105.19 115.11 1faf n GLY 25 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 6.30 0.43 1.61 2.15 -1.01 -4.86 116.67 121.29 1faf s ASP 26 Ca 0.00 -0.90 0.19 0.00 0.43 0.00 0.00 52.55 52.27 1faf s ASP 26 Cb 0.00 -2.56 1.12 0.00 -0.30 0.00 0.00 42.92 41.18 1faf s ASP 26 CO 0.00 -1.70 1.87 0.15 -0.17 0.00 0.00 175.17 175.31 1faf h PHE 27 N 9.99 0.48 0.00 -5.34 3.57 -1.98 0.86 116.94 124.51 1faf h PHE 27 Ca -0.06 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1faf h PHE 27 Cb 1.03 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1faf h PHE 27 CO 1.20 0.13 -0.41 0.78 -2.23 0.00 0.00 178.31 177.77 1faf h GLY 28 N 0.36 0.00 1.29 2.40 0.00 -1.99 -1.46 103.07 103.67 1faf h GLY 28 Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.56 1faf h GLY 28 CO -0.16 0.00 -1.35 -0.09 0.00 0.00 0.00 176.54 174.94 1faf h ARG 29 N 0.00 0.00 0.16 4.80 9.65 -1.28 -2.98 114.38 124.73 1faf h ARG 29 Ca -0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.63 1faf h ARG 29 Cb 0.77 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 29.38 1faf h ARG 29 CO 0.05 0.53 -1.05 0.00 2.80 0.00 0.00 179.97 182.30 1faf h MET 30 N 0.00 0.44 -0.37 0.20 -0.00 -1.21 -2.27 114.93 111.72 1faf h MET 30 Ca -0.17 -0.68 -0.12 0.00 -0.00 0.00 0.00 59.70 58.73 1faf h MET 30 Cb 1.77 0.24 -0.01 0.00 -0.00 0.00 0.00 31.60 33.61 1faf h MET 30 CO 0.08 1.31 -0.24 0.37 -0.00 0.00 0.00 176.91 178.42 1faf h GLN 31 N -0.08 0.82 -0.66 -0.10 4.15 -1.42 0.78 115.11 118.59 1faf h GLN 31 Ca -0.18 -0.39 -0.03 0.00 0.77 0.00 0.00 58.65 58.83 1faf h GLN 31 Cb 1.80 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.45 1faf h GLN 31 CO 0.20 1.02 0.31 1.96 -1.93 0.00 0.00 178.83 180.39 1faf h GLN 32 N 0.62 0.96 -0.07 1.69 4.20 -1.63 -0.18 115.11 120.70 1faf h GLN 32 Ca 0.07 -0.15 -0.21 0.00 0.06 0.00 0.00 58.65 58.42 1faf h GLN 32 Cb 0.81 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1faf h GLN 32 CO 0.07 0.77 -0.83 0.00 -0.67 0.00 0.00 178.83 178.16 1faf h ALA 33 N 1.14 0.41 0.31 3.87 0.00 -1.27 -2.25 119.26 121.47 1faf h ALA 33 Ca 0.23 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1faf h ALA 33 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1faf h ALA 33 CO -0.03 0.75 -0.15 -0.92 0.00 0.00 0.00 179.25 178.90 1faf h TYR 34 N 0.35 -0.38 -0.58 0.00 5.03 0.91 0.49 116.97 122.78 1faf h TYR 34 Ca -0.06 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 1faf h TYR 34 Cb 1.44 0.13 -0.03 0.00 1.55 0.00 0.00 36.73 39.82 1faf h TYR 34 CO 0.07 -0.22 0.28 0.87 -1.32 0.00 0.00 178.16 177.84 1faf h LYS 35 N -0.45 0.82 0.00 1.82 1.57 -1.10 0.11 116.57 119.34 1faf h LYS 35 Ca -0.04 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1faf h LYS 35 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1faf h LYS 35 CO 0.07 0.64 -0.27 0.37 -0.57 0.00 0.00 179.45 179.69 1faf h GLN 36 N 0.82 0.00 0.00 3.15 5.75 -1.04 -2.50 115.11 121.29 1faf h GLN 36 Ca 0.20 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1faf h GLN 36 Cb 0.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1faf h GLN 36 CO -0.03 0.27 -1.08 1.96 -2.65 0.00 0.00 178.83 177.31 1faf h GLN 37 N 0.00 0.00 0.00 1.69 1.08 0.31 -3.31 115.11 114.88 1faf h GLN 37 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1faf h GLN 37 Cb 0.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1faf h GLN 37 CO 0.04 0.15 -0.26 0.77 -0.95 0.00 0.00 178.83 178.57 1faf h SER 38 N 0.00 0.00 1.25 1.46 0.02 -0.39 -2.75 113.55 113.14 1faf h SER 38 Ca -0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1faf h SER 38 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1faf h SER 38 CO 0.02 0.26 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.73 1faf h LEU 39 N 0.00 0.00 0.00 5.07 3.38 -1.60 -2.94 115.31 119.21 1faf h LEU 39 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1faf h LEU 39 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1faf h LEU 39 CO 0.03 0.18 -1.26 0.17 0.09 0.00 0.00 178.44 177.65 1faf h LEU 40 N 0.00 0.00 -2.32 1.67 8.10 -1.65 -3.31 115.31 117.79 1faf h LEU 40 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1faf h LEU 40 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.07 1faf h LEU 40 CO 0.02 0.44 0.00 0.18 -4.11 0.00 0.00 178.44 174.97 1faf n LEU 41 N -2.86 3.47 -4.73 0.17 4.77 -1.13 -4.32 117.00 112.38 1faf n LEU 41 Ca -0.07 -1.75 -0.41 0.00 -0.03 0.00 0.00 56.01 53.76 1faf n LEU 41 Cb 0.77 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1faf n LEU 41 CO 0.42 0.69 0.55 -2.28 -1.33 0.00 0.00 177.39 175.44 1faf s HIS 42 N -1.56 3.69 0.54 -1.77 2.46 -1.12 -4.34 115.29 113.19 1faf s HIS 42 Ca 0.39 1.54 0.46 0.00 0.47 0.00 0.00 55.06 57.92 1faf s HIS 42 Cb 0.23 -2.95 1.67 0.00 -0.13 0.00 0.00 32.58 31.41 1faf s HIS 42 CO 0.22 0.14 1.62 -1.35 -2.47 0.00 0.00 174.74 172.90 1faf h PRO 43 N 6.24 0.01 0.00 2.88 0.11 -1.92 0.94 132.00 140.27 1faf h PRO 43 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1faf h PRO 43 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1faf h PRO 43 CO 0.73 0.01 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.07 1faf h ASP 44 N 0.01 0.00 -0.57 -2.05 5.19 -1.92 -3.24 116.42 113.85 1faf h ASP 44 Ca 0.86 -0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.95 1faf h ASP 44 Cb 3.35 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 42.68 1faf h ASP 44 CO -0.06 0.00 0.11 0.29 -3.12 0.00 0.00 179.24 176.46 1faf n LYS 45 N -2.82 2.08 -2.95 3.56 4.76 0.33 -4.97 118.16 118.15 1faf n LYS 45 Ca 0.04 -3.22 -0.03 0.00 -2.87 0.00 0.00 58.31 52.24 1faf n LYS 45 Cb 0.50 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 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 -1.10 -1.25 3.05 0.72 0.00 -1.16 -4.77 105.19 100.68 1faf n GLY 46 Ca 0.42 0.76 -0.09 0.00 0.00 0.00 0.00 46.02 47.11 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 -2.82 0.42 0.24 -0.02 0.00 -1.21 -4.84 107.32 99.09 1faf s GLY 47 Ca 0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 44.72 43.82 1faf s GLY 47 CO 0.74 -0.97 0.57 -0.56 0.00 0.00 0.00 173.10 172.88 1faf s SER 48 N -2.08 6.65 0.02 1.64 0.01 -1.26 -4.41 113.70 114.26 1faf s SER 48 Ca -0.05 0.97 -0.19 0.00 1.31 0.00 0.00 55.95 57.99 1faf s SER 48 Cb -0.03 -2.24 -0.22 0.00 0.21 0.00 0.00 66.02 63.73 1faf s SER 48 CO -0.04 -0.08 1.13 1.12 0.41 0.00 0.00 173.24 175.78 1faf h HIS 49 N 2.53 0.68 -0.22 2.43 2.07 -2.00 -2.80 115.15 117.84 1faf h HIS 49 Ca -0.47 -0.35 0.06 0.00 -2.85 0.00 0.00 60.37 56.76 1faf h HIS 49 Cb 1.17 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 1faf h HIS 49 CO 0.62 1.17 0.32 0.00 -3.07 0.00 0.00 177.93 176.97 1faf h ALA 50 N 0.36 1.77 0.01 6.11 0.00 -1.99 -0.40 119.26 125.12 1faf h ALA 50 Ca -0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1faf h ALA 50 Cb 1.33 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1faf h ALA 50 CO 0.13 -0.44 -0.94 -0.07 0.00 0.00 0.00 179.25 177.93 1faf h LEU 51 N 0.00 0.05 -0.80 0.00 4.07 -1.95 -3.02 115.31 113.65 1faf h LEU 51 Ca 0.10 -0.69 0.06 0.00 0.08 0.00 0.00 57.88 57.43 1faf h LEU 51 Cb 0.75 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.42 1faf h LEU 51 CO -0.00 1.38 0.49 0.24 -1.08 0.00 0.00 178.44 179.46 1faf h MET 52 N -0.91 0.87 -0.01 1.13 2.86 -1.08 0.29 114.93 118.07 1faf h MET 52 Ca -0.25 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.20 1faf h MET 52 Cb 1.28 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1faf h MET 52 CO -0.12 0.58 -0.65 -0.56 1.06 0.00 0.00 176.91 177.22 1faf h GLN 53 N 0.90 0.06 -0.11 1.72 3.07 -1.27 -2.40 115.11 117.08 1faf h GLN 53 Ca 0.34 -0.04 -0.04 0.00 0.09 0.00 0.00 58.65 59.00 1faf h GLN 53 Cb 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 1faf h GLN 53 CO -0.16 0.68 -0.10 1.49 0.09 0.00 0.00 178.83 180.83 1faf h GLU 54 N 0.04 0.25 -0.68 0.06 4.81 -1.18 -1.66 114.58 116.22 1faf h GLU 54 Ca -0.01 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1faf h GLU 54 Cb 1.15 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1faf h GLU 54 CO 0.09 0.66 0.29 1.25 -0.73 0.00 0.00 179.01 180.56 1faf h LEU 55 N -0.15 0.92 -0.70 1.64 5.85 -1.00 -1.75 115.31 120.12 1faf h LEU 55 Ca 0.02 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1faf h LEU 55 Cb 0.61 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1faf h LEU 55 CO 0.02 0.83 0.28 0.78 -0.34 0.00 0.00 178.44 180.01 1faf h ASN 56 N 0.95 0.96 0.33 1.25 2.35 -1.43 -0.06 115.58 119.93 1faf h ASN 56 Ca 0.23 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1faf h ASN 56 Cb 0.18 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1faf h ASN 56 CO -0.02 0.87 -0.23 0.77 -1.65 0.00 0.00 177.43 177.17 1faf h SER 57 N 0.99 0.00 1.16 5.81 4.64 -0.98 0.14 113.55 125.32 1faf h SER 57 Ca 0.23 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.40 1faf h SER 57 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1faf h SER 57 CO -0.02 0.23 -0.88 -0.07 -0.87 0.00 0.00 176.83 175.22 1faf h LEU 58 N 0.00 0.00 0.00 5.97 3.38 -0.60 -3.12 115.31 120.94 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 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1faf h LEU 58 CO 0.03 0.63 -0.72 -0.25 0.09 0.00 0.00 178.44 178.22 1faf h TRP 59 N 0.00 0.00 0.04 1.13 2.91 -0.45 -3.14 115.95 116.44 1faf h TRP 59 Ca -0.06 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.96 1faf h TRP 59 Cb 1.53 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.18 1faf h TRP 59 CO 0.00 0.00 -0.02 0.78 -1.03 0.00 0.00 178.44 178.17 1faf h GLY 60 N 4.40 -0.05 0.46 2.65 0.00 -0.77 -2.33 103.07 107.43 1faf h GLY 60 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1faf h GLY 60 CO 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 176.54 176.44 1faf h THR 61 N -0.77 0.71 -0.79 4.70 1.03 -1.73 0.09 112.91 116.15 1faf h THR 61 Ca -0.00 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.56 1faf h THR 61 Cb 0.04 0.71 -0.15 0.00 -1.07 0.00 0.00 68.15 67.68 1faf h THR 61 CO 0.01 0.00 -0.14 0.15 -0.01 0.00 0.00 175.52 175.53 1faf h PHE 62 N -0.03 -0.32 -0.72 0.00 3.57 -1.70 0.63 116.94 118.38 1faf h PHE 62 Ca 0.12 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1faf h PHE 62 Cb 0.22 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1faf h PHE 62 CO -0.27 -0.32 0.46 -0.22 -2.23 0.00 0.00 178.31 175.74 1faf h LYS 63 N 0.02 0.95 -1.06 1.11 3.64 -0.45 -1.50 116.57 119.28 1faf h LYS 63 Ca 0.39 -0.07 0.31 0.00 -1.27 0.00 0.00 60.65 60.02 1faf h LYS 63 Cb 0.64 -0.21 -0.13 0.00 -0.41 0.00 0.00 32.23 32.12 1faf h LYS 63 CO -0.78 0.64 0.65 1.15 -2.27 0.00 0.00 179.45 178.84 1faf h THR 64 N 0.98 0.37 0.05 1.00 2.02 0.17 1.01 112.91 118.50 1faf h THR 64 Ca 0.26 -0.12 -0.28 0.00 0.77 0.00 0.00 66.41 67.04 1faf h THR 64 Cb -0.09 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.28 1faf h THR 64 CO -0.05 0.06 -1.48 -0.33 0.37 0.00 0.00 175.52 174.09 1faf h GLU 65 N 0.35 0.10 -0.38 6.66 4.39 -1.29 -3.36 114.58 121.05 1faf h GLU 65 Ca 0.70 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 60.28 1faf h GLU 65 Cb 1.70 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 30.37 1faf h GLU 65 CO -0.47 0.87 0.09 0.28 -1.16 0.00 0.00 179.01 178.62 1faf h VAL 66 N 0.03 0.83 -0.46 3.13 2.07 0.19 0.52 116.25 122.54 1faf h VAL 66 Ca -0.21 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.37 1faf h VAL 66 Cb 1.95 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1faf h VAL 66 CO 0.12 0.04 0.34 1.88 0.02 0.00 0.00 177.57 179.97 1faf h TYR 67 N 0.22 0.00 0.00 1.57 -1.99 -0.88 0.83 116.97 116.73 1faf h TYR 67 Ca 0.18 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.85 1faf h TYR 67 Cb 0.20 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1faf h TYR 67 CO -0.18 0.00 -1.22 0.09 -0.00 0.00 0.00 178.16 176.84 1faf n ASN 68 N -4.33 0.79 0.12 3.88 3.02 0.09 -3.91 115.26 114.92 1faf n ASN 68 Ca 0.08 0.32 0.11 0.00 -0.03 0.00 0.00 54.58 55.06 1faf n ASN 68 Cb 0.55 0.46 0.48 0.00 -0.61 0.00 0.00 39.78 40.66 1faf n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1faf n LEU 69 N -2.72 0.58 -0.55 3.41 -0.00 0.16 -1.54 117.00 116.34 1faf n LEU 69 Ca -0.04 0.66 0.13 0.00 -0.00 0.00 0.00 56.01 56.76 1faf n LEU 69 Cb 0.65 -0.61 0.45 0.00 -0.00 0.00 0.00 43.42 43.92 1faf n LEU 69 CO 0.41 -0.59 0.82 0.54 -0.00 0.00 0.00 177.39 178.57 1faf n ARG 70 N -2.17 1.75 0.00 1.47 1.74 -1.15 -1.93 116.66 116.38 1faf n ARG 70 Ca 0.02 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 1faf n ARG 70 Cb 0.19 -1.46 0.00 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 0.33 2.60 -0.05 5.56 2.81 -0.59 -3.95 117.12 123.83 1faf n MET 71 Ca 0.18 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 56.08 1faf n MET 71 Cb 0.37 -0.99 -0.16 0.00 -0.71 0.00 0.00 33.22 31.73 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 -1.80 0.24 -0.02 7.83 4.13 -0.72 -4.62 115.26 120.31 1faf n ASN 72 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1faf n ASN 72 Cb 0.32 1.50 -0.03 0.00 -1.54 0.00 0.00 39.78 40.03 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 -2.45 0.28 0.00 3.41 4.32 -0.91 -5.08 117.00 116.57 1faf n LEU 73 Ca -0.17 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1faf n LEU 73 Cb 0.81 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.69 1faf n LEU 73 CO 0.42 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1faf n GLY 74 N 2.80 1.62 0.00 -0.72 0.00 -0.81 -4.89 105.19 103.20 1faf n GLY 74 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 4.51 3.66 -0.02 0.00 -1.26 -4.51 105.19 107.58 1faf n GLY 75 Ca 0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.04 4.42 -0.08 2.61 2.01 -1.26 -4.88 115.64 117.43 1faf s THR 76 Ca 0.00 1.72 0.00 0.00 0.31 0.00 0.00 61.69 63.72 1faf s THR 76 Cb 0.00 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1faf s THR 76 CO 0.00 -0.15 -0.07 0.61 -0.69 0.00 0.00 174.62 174.31 1faf n GLY 77 N 3.51 -0.11 3.55 4.40 0.00 -1.26 -4.92 105.19 110.36 1faf n GLY 77 Ca 0.13 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.16 2.01 -2.04 1.61 0.40 -1.26 -5.34 117.98 111.21 1faf s PHE 78 Ca -0.11 0.30 0.32 0.00 -0.60 0.00 0.00 56.93 56.84 1faf s PHE 78 Cb 0.03 -4.39 1.85 0.00 0.51 0.00 0.00 43.02 41.02 1faf s PHE 78 CO 0.18 -2.16 2.19 0.94 0.70 0.00 0.00 175.22 177.07