#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 7.15 -0.74 7.83 1.11 -1.26 -5.00 116.67 125.76 1faf s ASP 2 Ca 0.00 1.41 -0.15 0.00 0.18 0.00 0.00 52.55 53.99 1faf s ASP 2 Cb 0.00 -2.52 0.18 0.00 1.07 0.00 0.00 42.92 41.65 1faf s ASP 2 CO 0.00 -0.40 0.73 -0.13 1.18 0.00 0.00 175.17 176.54 1faf s ARG 3 N 1.93 3.40 -0.17 8.23 0.52 -1.26 -5.03 118.95 126.56 1faf s ARG 3 Ca 0.45 -2.10 -0.22 0.00 -0.52 0.00 0.00 55.73 53.34 1faf s ARG 3 Cb -0.18 -4.42 -0.03 0.00 0.52 0.00 0.00 34.95 30.84 1faf s ARG 3 CO 0.17 -1.37 0.66 0.14 0.02 0.00 0.00 175.30 174.92 1faf s VAL 4 N 0.99 5.02 0.06 3.52 -7.23 -1.26 -4.60 120.40 116.90 1faf s VAL 4 Ca 0.15 1.28 -0.18 0.00 -1.81 0.00 0.00 61.98 61.42 1faf s VAL 4 Cb -0.16 -3.98 -0.06 0.00 0.56 0.00 0.00 36.38 32.74 1faf s VAL 4 CO -0.05 0.14 0.53 -1.48 -0.31 0.00 0.00 175.10 173.93 1faf s LEU 5 N 1.67 4.50 0.00 1.32 0.05 -1.26 -5.09 118.68 119.87 1faf s LEU 5 Ca 0.31 1.17 0.00 0.00 0.05 0.00 0.00 54.13 55.66 1faf s LEU 5 Cb -0.16 -2.85 0.00 0.00 -2.05 0.00 0.00 46.19 41.13 1faf s LEU 5 CO 0.12 0.27 0.00 -1.54 -0.55 0.00 0.00 176.35 174.65 1faf n SER 6 N 1.67 0.00 -0.14 1.48 3.41 -1.26 -4.68 113.62 114.10 1faf n SER 6 Ca -0.11 -0.92 -0.02 0.00 -0.26 0.00 0.00 58.87 57.56 1faf n SER 6 Cb 0.51 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.66 1faf n SER 6 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1faf h ARG 7 N 0.00 0.85 0.00 4.33 9.65 -1.99 0.33 114.38 127.56 1faf h ARG 7 Ca 0.00 -0.15 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 1faf h ARG 7 Cb 0.00 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1faf h ARG 7 CO 0.00 0.73 -0.32 0.00 2.80 0.00 0.00 179.97 183.18 1faf h ALA 8 N 1.37 0.98 0.01 2.80 0.00 -1.99 -2.40 119.26 120.04 1faf h ALA 8 Ca 0.19 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1faf h ALA 8 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1faf h ALA 8 CO -0.01 0.40 -0.88 -0.44 0.00 0.00 0.00 179.25 178.32 1faf h ASP 9 N 0.00 0.05 -0.67 0.00 5.19 -1.76 -3.12 116.42 116.11 1faf h ASP 9 Ca -0.00 -0.71 0.06 0.00 -0.62 0.00 0.00 57.03 55.76 1faf h ASP 9 Cb 0.88 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.32 1faf h ASP 9 CO 0.04 1.35 0.37 0.07 -3.12 0.00 0.00 179.24 177.96 1faf h LYS 10 N -0.91 0.67 -0.07 3.56 5.09 -1.02 0.10 116.57 123.99 1faf h LYS 10 Ca -0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 60.44 1faf h LYS 10 Cb 1.27 -0.15 -0.01 0.00 0.10 0.00 0.00 32.23 33.44 1faf h LYS 10 CO -0.11 0.44 -0.07 1.05 -2.09 0.00 0.00 179.45 178.67 1faf h GLU 11 N 0.69 0.10 -0.44 0.07 -0.00 -1.59 -1.65 114.58 111.76 1faf h GLU 11 Ca 0.30 -0.01 -0.13 0.00 -0.00 0.00 0.00 59.36 59.52 1faf h GLU 11 Cb 0.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.91 1faf h GLU 11 CO -0.18 0.17 -0.22 -0.09 -0.00 0.00 0.00 179.01 178.69 1faf h ARG 12 N 0.09 0.93 -0.46 1.06 2.43 -0.79 -2.58 114.38 115.06 1faf h ARG 12 Ca 0.02 -0.41 0.10 0.00 -0.81 0.00 0.00 59.98 58.89 1faf h ARG 12 Cb 0.19 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1faf h ARG 12 CO 0.01 1.07 0.32 1.25 -1.51 0.00 0.00 179.97 181.11 1faf h LEU 13 N 0.77 0.14 -0.05 3.80 5.85 -0.17 -1.72 115.31 123.93 1faf h LEU 13 Ca 0.10 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1faf h LEU 13 Cb 0.79 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1faf h LEU 13 CO 0.07 0.09 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.12 1faf h LEU 14 N 0.16 0.15 -1.95 2.25 3.38 -1.24 -2.37 115.31 115.69 1faf h LEU 14 Ca 0.21 -0.51 0.28 0.00 0.09 0.00 0.00 57.88 57.95 1faf h LEU 14 Cb 0.63 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1faf h LEU 14 CO -0.03 0.63 0.73 -0.33 0.09 0.00 0.00 178.44 179.53 1faf h GLU 15 N -0.33 0.00 0.00 1.13 5.08 -1.12 0.89 114.58 120.23 1faf h GLU 15 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1faf h GLU 15 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1faf h GLU 15 CO 0.02 0.00 -0.99 -0.07 -1.00 0.00 0.00 179.01 176.97 1faf h LEU 16 N 0.00 0.00 -0.81 1.33 4.07 -1.38 -3.30 115.31 115.22 1faf h LEU 16 Ca 0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.41 1faf h LEU 16 Cb 1.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.65 1faf h LEU 16 CO -0.00 0.29 0.00 0.18 -1.08 0.00 0.00 178.44 177.83 1faf n LEU 17 N -2.88 1.26 -1.30 1.67 4.32 0.30 -4.88 117.00 115.49 1faf n LEU 17 Ca -0.03 -0.43 -0.14 0.00 -0.02 0.00 0.00 56.01 55.40 1faf n LEU 17 Cb 0.68 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.42 1faf n LEU 17 CO 0.41 0.21 -0.13 0.29 -1.22 0.00 0.00 177.39 176.95 1faf n LYS 18 N -0.01 -1.39 -3.76 3.23 4.01 -0.48 -4.74 118.16 115.01 1faf n LYS 18 Ca 0.20 0.84 -0.38 0.00 -0.51 0.00 0.00 58.31 58.46 1faf n LYS 18 Cb 0.31 -5.09 -0.12 0.00 -0.51 0.00 0.00 35.03 29.62 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 -3.62 4.27 1.05 -0.35 0.20 -1.20 -5.07 118.68 113.95 1faf s LEU 19 Ca 0.00 -1.12 -0.22 0.00 0.69 0.00 0.00 54.13 53.48 1faf s LEU 19 Cb 0.00 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 1faf s LEU 19 CO 0.00 -0.31 -0.67 -2.65 -0.29 0.00 0.00 176.35 172.42 1faf n PRO 20 N 4.80 -0.72 0.00 0.98 -0.02 -1.26 -4.63 135.00 134.15 1faf n PRO 20 Ca -0.13 -0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.29 1faf n PRO 20 Cb 0.45 -1.37 0.42 0.00 -0.02 0.00 0.00 33.50 32.98 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 0.19 1.13 0.06 -0.52 1.74 -1.26 -3.96 116.66 114.05 1faf n ARG 21 Ca -0.00 -0.67 -0.06 0.00 -0.77 0.00 0.00 57.85 56.35 1faf n ARG 21 Cb 0.67 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.51 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 1.63 0.00 -0.54 5.56 -0.00 -2.05 -3.26 115.11 116.45 1faf h GLN 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1faf h GLN 22 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.99 1faf h GLN 22 CO 0.00 0.90 0.00 1.47 0.00 0.00 0.00 178.83 181.20 1faf n LEU 23 N -3.31 3.73 -4.59 -2.39 -0.00 -1.25 -4.98 117.00 104.20 1faf n LEU 23 Ca -0.01 -2.16 -0.48 0.00 -0.00 0.00 0.00 56.01 53.36 1faf n LEU 23 Cb 0.93 -0.41 -0.05 0.00 -0.00 0.00 0.00 43.42 43.88 1faf n LEU 23 CO 0.46 0.84 1.67 1.87 -0.00 0.00 0.00 177.39 182.23 1faf n TRP 24 N 0.96 2.02 0.00 1.47 -0.00 -1.23 -2.73 117.44 117.93 1faf n TRP 24 Ca 0.20 0.05 0.00 0.00 -0.00 0.00 0.00 57.50 57.75 1faf n TRP 24 Cb 0.62 -2.64 0.00 0.00 -0.00 0.00 0.00 31.31 29.29 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 5.37 1.34 3.56 5.87 0.00 -1.26 -5.07 105.19 115.00 1faf n GLY 25 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.01 6.42 0.50 1.61 -1.08 -1.11 -4.83 116.67 118.17 1faf s ASP 26 Ca 0.00 -1.53 0.34 0.00 -0.52 0.00 0.00 52.55 50.84 1faf s ASP 26 Cb 0.00 -2.57 1.47 0.00 -1.46 0.00 0.00 42.92 40.36 1faf s ASP 26 CO 0.00 -1.58 1.72 0.15 0.52 0.00 0.00 175.17 175.98 1faf h PHE 27 N 9.60 0.24 -0.13 -5.34 3.57 -1.97 0.54 116.94 123.45 1faf h PHE 27 Ca 0.23 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 1faf h PHE 27 Cb 0.99 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1faf h PHE 27 CO 1.30 -0.03 -0.45 0.78 -2.23 0.00 0.00 178.31 177.68 1faf h GLY 28 N 0.10 0.34 1.21 2.40 0.00 -1.99 -0.93 103.07 104.19 1faf h GLY 28 Ca 0.69 -0.34 -0.31 0.00 0.00 0.00 0.00 47.33 47.37 1faf h GLY 28 CO -0.15 0.31 -1.55 3.21 0.00 0.00 0.00 176.54 178.36 1faf h ARG 29 N 0.25 0.26 -0.05 4.80 3.08 -0.39 -2.97 114.38 119.36 1faf h ARG 29 Ca 0.02 -0.45 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 1faf h ARG 29 Cb 0.89 0.17 0.01 0.00 0.08 0.00 0.00 29.97 31.12 1faf h ARG 29 CO 0.07 1.13 -0.45 0.00 -1.07 0.00 0.00 179.97 179.65 1faf h MET 30 N 0.07 0.40 -0.40 0.04 -0.00 -1.24 -2.47 114.93 111.34 1faf h MET 30 Ca -0.25 -0.36 -0.04 0.00 -0.00 0.00 0.00 59.70 59.05 1faf h MET 30 Cb 2.02 0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 33.69 1faf h MET 30 CO 0.16 1.01 0.08 0.37 -0.00 0.00 0.00 176.91 178.53 1faf h GLN 31 N -0.09 0.65 -0.43 -0.10 4.15 -1.33 0.34 115.11 118.31 1faf h GLN 31 Ca -0.04 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.22 1faf h GLN 31 Cb 1.12 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1faf h GLN 31 CO 0.09 0.69 0.28 0.37 -1.93 0.00 0.00 178.83 178.33 1faf h GLN 32 N 0.51 0.55 0.01 1.69 5.75 -1.60 -1.16 115.11 120.87 1faf h GLN 32 Ca 0.12 -0.03 -0.22 0.00 -0.15 0.00 0.00 58.65 58.37 1faf h GLN 32 Cb 0.34 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1faf h GLN 32 CO 0.00 0.36 -1.03 0.00 -2.65 0.00 0.00 178.83 175.52 1faf h ALA 33 N 1.74 0.32 -0.17 3.38 0.00 -0.98 -3.03 119.26 120.52 1faf h ALA 33 Ca 0.16 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1faf h ALA 33 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1faf h ALA 33 CO -0.03 1.22 0.10 -0.92 0.00 0.00 0.00 179.25 179.61 1faf h TYR 34 N 0.01 0.23 -0.37 0.00 5.03 0.86 -0.65 116.97 122.08 1faf h TYR 34 Ca -0.03 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1faf h TYR 34 Cb 1.79 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.98 1faf h TYR 34 CO 0.01 0.21 0.13 0.87 -1.32 0.00 0.00 178.16 178.07 1faf h LYS 35 N 0.18 0.57 -0.13 1.82 1.57 -1.45 0.48 116.57 119.61 1faf h LYS 35 Ca 0.06 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1faf h LYS 35 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1faf h LYS 35 CO -0.01 0.56 0.09 0.37 -0.57 0.00 0.00 179.45 179.89 1faf h GLN 36 N 0.45 0.11 0.00 3.15 5.75 -1.38 0.27 115.11 123.47 1faf h GLN 36 Ca 0.12 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.48 1faf h GLN 36 Cb 0.22 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1faf h GLN 36 CO -0.01 0.07 -1.34 1.04 -2.65 0.00 0.00 178.83 175.95 1faf n GLN 37 N -4.52 0.62 0.10 1.69 1.13 -0.27 -3.97 117.38 112.17 1faf n GLN 37 Ca -0.01 0.20 -0.16 0.00 -1.94 0.00 0.00 57.00 55.10 1faf n GLN 37 Cb 0.13 -1.81 -0.13 0.00 0.11 0.00 0.00 30.24 28.53 1faf n GLN 37 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1faf h SER 38 N 0.00 0.44 0.37 1.08 0.02 0.94 -2.93 113.55 113.48 1faf h SER 38 Ca -0.13 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.33 1faf h SER 38 Cb 1.47 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 1faf h SER 38 CO 0.04 1.36 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.90 1faf h LEU 39 N 0.09 0.00 0.00 5.07 3.38 -0.65 -2.50 115.31 120.70 1faf h LEU 39 Ca -0.13 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.58 1faf h LEU 39 Cb 1.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 1faf h LEU 39 CO 0.20 0.11 -1.62 0.00 0.09 0.00 0.00 178.44 177.23 1faf n LEU 40 N -3.63 0.87 -1.56 1.67 -0.00 -1.22 -3.88 117.00 109.25 1faf n LEU 40 Ca -0.02 0.41 -0.02 0.00 -0.00 0.00 0.00 56.01 56.38 1faf n LEU 40 Cb 0.24 0.14 0.23 0.00 -0.00 0.00 0.00 43.42 44.03 1faf n LEU 40 CO 0.30 0.31 0.78 0.18 -0.00 0.00 0.00 177.39 178.96 1faf n LEU 41 N -3.00 4.60 -4.79 1.47 4.77 -0.98 -4.08 117.00 114.99 1faf n LEU 41 Ca -0.15 -2.37 -0.38 0.00 -0.03 0.00 0.00 56.01 53.08 1faf n LEU 41 Cb 0.99 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1faf n LEU 41 CO 0.44 0.61 0.23 -2.28 -1.33 0.00 0.00 177.39 175.07 1faf s HIS 42 N -2.20 3.73 0.22 -1.77 2.46 -0.98 -3.98 115.29 112.78 1faf s HIS 42 Ca 0.37 1.16 -0.17 0.00 0.47 0.00 0.00 55.06 56.90 1faf s HIS 42 Cb 0.29 -2.49 0.24 0.00 -0.13 0.00 0.00 32.58 30.49 1faf s HIS 42 CO 0.10 0.49 1.57 -1.35 -2.47 0.00 0.00 174.74 173.08 1faf h PRO 43 N 5.09 -0.04 0.00 2.88 0.11 -1.90 1.06 132.00 139.20 1faf h PRO 43 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1faf h PRO 43 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1faf h PRO 43 CO 0.66 -0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 1faf n ASP 44 N -5.48 0.22 -1.20 -2.05 8.00 -1.26 -2.16 116.55 112.62 1faf n ASP 44 Ca 0.09 0.56 -0.06 0.00 0.71 0.00 0.00 54.79 56.10 1faf n ASP 44 Cb 0.40 -0.61 0.18 0.00 -0.02 0.00 0.00 41.12 41.08 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1faf n LYS 45 N -1.75 1.95 -3.28 -1.24 4.76 0.36 -4.97 118.16 113.98 1faf n LYS 45 Ca 0.02 -3.29 -0.13 0.00 -2.87 0.00 0.00 58.31 52.04 1faf n LYS 45 Cb 0.15 -1.84 0.04 0.00 -1.84 0.00 0.00 35.03 31.54 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 -1.17 3.35 0.72 0.00 -0.91 -4.57 105.19 101.52 1faf n GLY 46 Ca 0.33 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.26 1.51 0.30 -0.02 0.00 -0.85 -4.79 107.32 100.21 1faf s GLY 47 Ca 0.29 -1.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.20 1faf s GLY 47 CO 0.77 -1.72 0.61 -0.56 0.00 0.00 0.00 173.10 172.19 1faf s SER 48 N -3.32 6.54 -0.06 1.64 0.01 -1.26 -4.40 113.70 112.85 1faf s SER 48 Ca 0.25 0.90 -0.22 0.00 1.31 0.00 0.00 55.95 58.20 1faf s SER 48 Cb 0.03 -2.22 -0.31 0.00 0.21 0.00 0.00 66.02 63.73 1faf s SER 48 CO 0.08 -0.20 0.86 0.45 0.41 0.00 0.00 173.24 174.83 1faf h HIS 49 N 1.91 0.50 0.00 2.43 3.86 -2.00 -2.98 115.15 118.88 1faf h HIS 49 Ca -0.47 -0.36 -0.00 0.00 -1.16 0.00 0.00 60.37 58.37 1faf h HIS 49 Cb 1.18 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1faf h HIS 49 CO 0.60 1.31 -0.01 0.00 0.86 0.00 0.00 177.93 180.69 1faf h ALA 50 N 0.06 1.68 0.02 2.45 0.00 -1.98 -1.69 119.26 119.80 1faf h ALA 50 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1faf h ALA 50 Cb 1.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1faf h ALA 50 CO 0.13 0.02 -0.14 -0.07 0.00 0.00 0.00 179.25 179.19 1faf h LEU 51 N 0.00 0.09 -0.51 0.00 4.07 -1.95 -2.54 115.31 114.46 1faf h LEU 51 Ca -0.00 -0.93 0.03 0.00 0.08 0.00 0.00 57.88 57.06 1faf h LEU 51 Cb 0.03 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1faf h LEU 51 CO 0.00 1.01 0.29 -0.03 -1.08 0.00 0.00 178.44 178.63 1faf h MET 52 N -0.82 0.56 -0.24 1.13 4.05 -1.32 -0.65 114.93 117.64 1faf h MET 52 Ca -0.02 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.23 1faf h MET 52 Cb 1.05 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 1faf h MET 52 CO 0.03 0.37 -0.40 -0.56 0.23 0.00 0.00 176.91 176.57 1faf h GLN 53 N 0.58 0.56 -0.25 0.39 3.07 -1.45 -0.51 115.11 117.50 1faf h GLN 53 Ca 0.21 -0.29 -0.02 0.00 0.09 0.00 0.00 58.65 58.65 1faf h GLN 53 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 1faf h GLN 53 CO -0.12 0.87 0.09 0.93 0.09 0.00 0.00 178.83 180.69 1faf h GLU 54 N 0.47 0.39 -0.33 0.06 4.39 -0.98 -0.80 114.58 117.76 1faf h GLU 54 Ca 0.04 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1faf h GLU 54 Cb 0.90 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1faf h GLU 54 CO 0.08 0.44 -0.14 1.25 -1.16 0.00 0.00 179.01 179.48 1faf h LEU 55 N 0.25 0.70 -1.60 1.33 5.85 -1.08 -1.04 115.31 119.72 1faf h LEU 55 Ca 0.08 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1faf h LEU 55 Cb 0.21 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1faf h LEU 55 CO -0.00 0.94 0.13 0.78 -0.34 0.00 0.00 178.44 179.94 1faf h ASN 56 N 0.45 0.35 0.40 1.25 2.35 -0.99 0.52 115.58 119.91 1faf h ASN 56 Ca 0.08 -0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.53 1faf h ASN 56 Cb 0.66 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.96 1faf h ASN 56 CO 0.04 0.31 -1.19 -1.28 -1.65 0.00 0.00 177.43 173.66 1faf h SER 57 N 0.40 0.61 1.27 5.81 0.87 -0.97 0.49 113.55 122.03 1faf h SER 57 Ca 0.10 -0.58 -0.10 0.00 -1.23 0.00 0.00 61.79 59.98 1faf h SER 57 Cb 0.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1faf h SER 57 CO -0.01 1.42 -0.48 -0.07 -0.53 0.00 0.00 176.83 177.16 1faf h LEU 58 N 0.17 0.00 0.00 2.23 3.38 -0.61 -3.10 115.31 117.39 1faf h LEU 58 Ca -0.15 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 1faf h LEU 58 Cb 1.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 1faf h LEU 58 CO 0.21 0.48 -1.46 1.87 0.09 0.00 0.00 178.44 179.63 1faf n TRP 59 N -3.32 0.91 0.04 1.13 -0.00 0.18 -3.57 117.44 112.82 1faf n TRP 59 Ca 0.01 0.30 -0.02 0.00 -0.00 0.00 0.00 57.50 57.80 1faf n TRP 59 Cb 0.67 -1.06 -0.01 0.00 -0.00 0.00 0.00 31.31 30.91 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 3.75 -0.12 0.05 5.87 0.00 -0.87 0.16 103.07 111.89 1faf h GLY 60 Ca -0.17 0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.31 1faf h GLY 60 CO 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.50 1faf h THR 61 N -0.17 0.54 -0.72 4.70 1.03 -1.77 0.34 112.91 116.86 1faf h THR 61 Ca -0.01 -0.03 0.13 0.00 -0.01 0.00 0.00 66.41 66.49 1faf h THR 61 Cb 0.09 0.45 -0.13 0.00 -1.07 0.00 0.00 68.15 67.49 1faf h THR 61 CO 0.02 0.01 -0.29 0.15 -0.01 0.00 0.00 175.52 175.41 1faf h PHE 62 N 0.08 -0.75 -0.87 0.00 3.57 -1.63 0.49 116.94 117.83 1faf h PHE 62 Ca 0.27 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1faf h PHE 62 Cb 0.42 0.44 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 1faf h PHE 62 CO -0.36 -0.37 0.52 -0.22 -2.23 0.00 0.00 178.31 175.65 1faf h LYS 63 N -0.08 0.86 -0.95 1.11 3.64 0.26 0.45 116.57 121.88 1faf h LYS 63 Ca 0.30 -0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.85 1faf h LYS 63 Cb 0.56 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1faf h LYS 63 CO -0.77 0.57 0.62 1.15 -2.27 0.00 0.00 179.45 178.75 1faf h THR 64 N 0.89 0.65 0.04 1.00 2.02 0.16 0.49 112.91 118.16 1faf h THR 64 Ca 0.41 -0.15 -0.27 0.00 0.77 0.00 0.00 66.41 67.17 1faf h THR 64 Cb 0.32 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1faf h THR 64 CO -0.23 0.08 -1.45 -0.33 0.37 0.00 0.00 175.52 173.97 1faf h GLU 65 N 0.43 0.08 -0.98 6.66 4.39 -0.44 -3.34 114.58 121.39 1faf h GLU 65 Ca 0.51 -0.14 0.23 0.00 0.34 0.00 0.00 59.36 60.30 1faf h GLU 65 Cb 1.23 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.81 1faf h GLU 65 CO -0.21 0.85 0.55 0.28 -1.16 0.00 0.00 179.01 179.32 1faf h VAL 66 N 0.02 0.56 -0.10 3.13 2.07 0.44 0.99 116.25 123.36 1faf h VAL 66 Ca -0.19 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1faf h VAL 66 Cb 1.94 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1faf h VAL 66 CO 0.12 0.11 -0.16 0.22 0.02 0.00 0.00 177.57 177.88 1faf h TYR 67 N 0.58 0.16 0.00 1.57 3.20 -1.49 -2.57 116.97 118.42 1faf h TYR 67 Ca 0.61 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.40 1faf h TYR 67 Cb 1.12 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1faf h TYR 67 CO -0.03 0.31 -1.22 0.09 -1.64 0.00 0.00 178.16 175.67 1faf n ASN 68 N -4.28 0.80 -0.29 -2.11 3.02 0.23 -4.12 115.26 108.51 1faf n ASN 68 Ca -0.01 0.32 0.01 0.00 -0.03 0.00 0.00 54.58 54.87 1faf n ASN 68 Cb 0.27 0.43 0.20 0.00 -0.61 0.00 0.00 39.78 40.07 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 0.97 0.00 3.41 8.10 0.11 -0.07 115.31 127.82 1faf h LEU 69 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.91 1faf h LEU 69 Cb 1.22 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 1faf h LEU 69 CO 0.02 0.68 0.00 0.54 -4.11 0.00 0.00 178.44 175.57 1faf n ARG 70 N -4.42 0.90 0.00 0.17 5.12 -1.21 -2.72 116.66 114.49 1faf n ARG 70 Ca 0.11 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.06 1faf n ARG 70 Cb 0.06 -1.44 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1faf n MET 71 N -0.94 2.97 -1.65 5.56 2.81 -0.10 -5.03 117.12 120.73 1faf n MET 71 Ca 0.19 -0.37 -0.33 0.00 -1.81 0.00 0.00 57.70 55.38 1faf n MET 71 Cb 0.09 -0.93 0.06 0.00 -0.71 0.00 0.00 33.22 31.72 1faf n MET 71 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1faf s ASN 72 N -1.21 4.82 -0.35 7.83 2.47 -0.84 -5.03 114.94 122.62 1faf s ASN 72 Ca 0.05 2.10 0.01 0.00 0.42 0.00 0.00 52.86 55.43 1faf s ASN 72 Cb 0.05 -2.56 0.14 0.00 -1.45 0.00 0.00 41.25 37.43 1faf s ASN 72 CO 0.20 -1.83 0.26 -1.48 -3.72 0.00 0.00 177.10 170.53 1faf s LEU 73 N -4.98 0.52 0.01 3.21 2.34 -1.26 -5.08 118.68 113.45 1faf s LEU 73 Ca 0.69 -1.81 0.00 0.00 0.06 0.00 0.00 54.13 53.07 1faf s LEU 73 Cb -0.23 -0.03 -0.01 0.00 -0.56 0.00 0.00 46.19 45.36 1faf s LEU 73 CO 0.43 -0.31 -0.01 -0.83 -1.06 0.00 0.00 176.35 174.56 1faf s GLY 74 N 1.38 0.10 0.00 -3.48 0.00 -1.26 -4.89 107.32 99.17 1faf s GLY 74 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1faf s GLY 74 CO -0.07 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.37 1faf n GLY 75 N 2.46 3.22 3.76 0.20 0.00 -1.26 -5.08 105.19 108.49 1faf n GLY 75 Ca -0.17 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 1faf n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1faf s THR 76 N -0.09 2.75 0.00 2.61 -4.23 -1.26 -4.78 115.64 110.64 1faf s THR 76 Ca 0.00 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1faf s THR 76 Cb 0.00 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1faf s THR 76 CO 0.00 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1faf n GLY 77 N 0.41 0.00 3.80 3.99 0.00 -1.26 -5.16 105.19 106.96 1faf n GLY 77 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1faf n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1faf s PHE 78 N 0.00 2.87 -2.00 1.61 2.19 -1.26 -5.33 117.98 116.07 1faf s PHE 78 Ca 0.00 1.46 0.30 0.00 0.33 0.00 0.00 56.93 59.03 1faf s PHE 78 Cb 0.00 -2.96 1.81 0.00 -1.31 0.00 0.00 43.02 40.56 1faf s PHE 78 CO 0.00 -1.50 2.14 0.94 1.83 0.00 0.00 175.22 178.63