#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 7.29 -0.77 7.83 -4.77 -1.26 -4.99 116.67 120.00 1faf s ASP 2 Ca 0.00 1.87 -0.17 0.00 -3.30 0.00 0.00 52.55 50.95 1faf s ASP 2 Cb 0.00 -2.58 0.15 0.00 -1.09 0.00 0.00 42.92 39.40 1faf s ASP 2 CO 0.00 -0.27 0.84 -0.13 0.70 0.00 0.00 175.17 176.31 1faf s ARG 3 N 0.55 3.41 -0.21 2.11 0.52 -1.26 -5.02 118.95 119.05 1faf s ARG 3 Ca 0.52 -1.88 -0.28 0.00 -0.52 0.00 0.00 55.73 53.58 1faf s ARG 3 Cb -0.25 -4.52 0.00 0.00 0.52 0.00 0.00 34.95 30.70 1faf s ARG 3 CO 0.30 -1.51 0.96 0.14 0.02 0.00 0.00 175.30 175.21 1faf s VAL 4 N 1.73 4.75 0.06 3.52 -7.23 -1.26 -4.59 120.40 117.38 1faf s VAL 4 Ca 0.20 1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 62.06 1faf s VAL 4 Cb -0.14 -4.24 -0.06 0.00 0.56 0.00 0.00 36.38 32.50 1faf s VAL 4 CO -0.04 -0.11 0.52 -1.48 -0.31 0.00 0.00 175.10 173.69 1faf s LEU 5 N 2.83 4.50 0.00 1.32 0.05 -1.26 -5.09 118.68 121.04 1faf s LEU 5 Ca 0.42 1.17 -0.13 0.00 0.05 0.00 0.00 54.13 55.63 1faf s LEU 5 Cb -0.16 -2.83 0.18 0.00 -2.05 0.00 0.00 46.19 41.34 1faf s LEU 5 CO 0.09 0.28 1.09 -1.54 -0.55 0.00 0.00 176.35 175.72 1faf n SER 6 N 1.69 0.14 -0.32 1.48 3.41 -1.26 -4.65 113.62 114.11 1faf n SER 6 Ca -0.11 -1.43 0.06 0.00 -0.26 0.00 0.00 58.87 57.12 1faf n SER 6 Cb 0.51 -0.83 0.25 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.97 -0.42 4.33 3.08 -1.99 -0.17 114.38 120.19 1faf h ARG 7 Ca -0.35 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.55 1faf h ARG 7 Cb 0.99 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1faf h ARG 7 CO 0.26 0.64 -0.08 0.00 -1.07 0.00 0.00 179.97 179.71 1faf h ALA 8 N 1.52 0.57 0.15 0.04 0.00 -1.98 -1.63 119.26 117.94 1faf h ALA 8 Ca 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1faf h ALA 8 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1faf h ALA 8 CO -0.18 0.43 -0.07 -0.44 0.00 0.00 0.00 179.25 178.99 1faf h ASP 9 N 0.61 -0.17 -0.76 0.00 3.32 -1.70 0.00 116.42 117.73 1faf h ASP 9 Ca 0.11 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1faf h ASP 9 Cb 0.61 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1faf h ASP 9 CO 0.04 0.19 0.50 0.07 -1.72 0.00 0.00 179.24 178.31 1faf h LYS 10 N -0.55 0.75 -0.01 3.56 2.10 -1.11 0.24 116.57 121.55 1faf h LYS 10 Ca -0.02 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 58.48 1faf h LYS 10 Cb 0.43 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1faf h LYS 10 CO 0.03 0.50 -0.50 0.93 -2.00 0.00 0.00 179.45 178.42 1faf h GLU 11 N 0.78 0.03 -0.38 0.07 5.08 -1.17 -2.76 114.58 116.22 1faf h GLU 11 Ca 0.33 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1faf h GLU 11 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1faf h GLU 11 CO -0.12 0.52 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.19 1faf h ARG 12 N 0.02 0.76 -0.88 2.33 2.43 0.14 -2.62 114.38 116.55 1faf h ARG 12 Ca -0.00 -0.31 0.16 0.00 -0.81 0.00 0.00 59.98 59.02 1faf h ARG 12 Cb 0.89 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.34 1faf h ARG 12 CO 0.07 0.92 0.57 1.25 -1.51 0.00 0.00 179.97 181.27 1faf h LEU 13 N 0.56 0.56 0.05 3.80 5.85 -0.74 -1.42 115.31 123.97 1faf h LEU 13 Ca 0.09 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1faf h LEU 13 Cb 0.66 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1faf h LEU 13 CO 0.05 0.27 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.32 1faf h LEU 14 N 0.58 -0.06 -1.83 2.25 3.38 -1.31 -2.02 115.31 116.30 1faf h LEU 14 Ca 0.45 -0.21 0.31 0.00 0.09 0.00 0.00 57.88 58.51 1faf h LEU 14 Cb 0.86 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1faf h LEU 14 CO -0.20 0.18 0.76 -0.08 0.09 0.00 0.00 178.44 179.20 1faf h GLU 15 N -0.30 0.10 0.13 1.13 4.81 -1.05 0.27 114.58 119.67 1faf h GLU 15 Ca -0.01 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.92 1faf h GLU 15 Cb 0.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1faf h GLU 15 CO 0.01 0.07 -1.45 -0.07 -0.73 0.00 0.00 179.01 176.84 1faf h LEU 16 N 0.10 0.44 0.00 1.64 4.07 -1.33 -3.27 115.31 116.96 1faf h LEU 16 Ca 0.54 -0.55 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1faf h LEU 16 Cb 1.95 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.54 1faf h LEU 16 CO -0.08 1.45 0.00 0.18 -1.08 0.00 0.00 178.44 178.91 1faf n LEU 17 N -3.50 0.00 -1.28 1.67 4.32 0.85 -4.84 117.00 114.22 1faf n LEU 17 Ca -0.14 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.70 1faf n LEU 17 Cb 1.04 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.78 1faf n LEU 17 CO 0.52 0.00 -0.14 0.29 -1.22 0.00 0.00 177.39 176.85 1faf n LYS 18 N -0.85 -1.45 -3.86 3.23 4.01 -0.48 -4.69 118.16 114.07 1faf n LYS 18 Ca 0.15 0.90 -0.35 0.00 -0.51 0.00 0.00 58.31 58.50 1faf n LYS 18 Cb 0.07 -5.18 -0.13 0.00 -0.51 0.00 0.00 35.03 29.28 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 4.57 1.27 -0.35 0.20 -1.09 -5.05 118.68 114.61 1faf s LEU 19 Ca 0.00 -1.69 -0.18 0.00 0.69 0.00 0.00 54.13 52.95 1faf s LEU 19 Cb 0.00 -1.75 0.30 0.00 -0.43 0.00 0.00 46.19 44.30 1faf s LEU 19 CO 0.00 -0.39 0.78 -2.65 -0.29 0.00 0.00 176.35 173.79 1faf n PRO 20 N 4.57 -3.26 0.03 0.98 -0.02 -1.26 -4.48 135.00 131.56 1faf n PRO 20 Ca -0.07 -0.95 0.13 0.00 -2.02 0.00 0.00 63.50 60.59 1faf n PRO 20 Cb 0.42 -1.96 0.37 0.00 -0.02 0.00 0.00 33.50 32.31 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 -4.67 0.11 0.24 -0.52 0.00 -1.26 -3.61 116.66 106.96 1faf n ARG 21 Ca 0.06 0.06 0.08 0.00 -0.00 0.00 0.00 57.85 58.05 1faf n ARG 21 Cb 0.56 -1.60 0.59 0.00 -0.00 0.00 0.00 32.46 32.01 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 0.00 0.00 -0.13 2.89 4.15 -2.05 -2.44 115.11 117.53 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 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1faf h GLN 22 CO 0.00 0.16 0.00 1.47 -1.93 0.00 0.00 178.83 178.53 1faf n LEU 23 N -4.06 2.55 -4.50 -2.39 -0.00 -1.24 -5.01 117.00 102.34 1faf n LEU 23 Ca -0.02 -2.32 -0.43 0.00 -0.00 0.00 0.00 56.01 53.23 1faf n LEU 23 Cb 0.24 -0.21 -0.07 0.00 -0.00 0.00 0.00 43.42 43.39 1faf n LEU 23 CO 0.34 0.62 1.96 1.87 -0.00 0.00 0.00 177.39 182.18 1faf n TRP 24 N -0.39 1.39 0.00 1.47 -0.00 -0.92 -2.63 117.44 116.36 1faf n TRP 24 Ca 0.09 0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1faf n TRP 24 Cb 0.45 -2.56 0.00 0.00 -0.00 0.00 0.00 31.31 29.20 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 6.29 1.49 3.56 5.87 0.00 -1.26 -5.08 105.19 116.06 1faf n GLY 25 Ca 0.43 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 5.70 0.29 1.61 -1.08 -1.08 -4.83 116.67 117.29 1faf s ASP 26 Ca 0.00 -1.17 0.04 0.00 -0.52 0.00 0.00 52.55 50.90 1faf s ASP 26 Cb 0.00 -2.57 0.75 0.00 -1.46 0.00 0.00 42.92 39.64 1faf s ASP 26 CO 0.00 -2.26 1.68 0.15 0.52 0.00 0.00 175.17 175.26 1faf h PHE 27 N 10.36 0.57 -0.42 -5.34 3.57 -1.98 0.19 116.94 123.88 1faf h PHE 27 Ca 0.17 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1faf h PHE 27 Cb 0.99 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1faf h PHE 27 CO 1.25 -0.11 0.28 0.78 -2.23 0.00 0.00 178.31 178.29 1faf h GLY 28 N 0.33 0.44 0.35 2.40 0.00 -1.99 -0.02 103.07 104.57 1faf h GLY 28 Ca 0.57 -0.15 -0.16 0.00 0.00 0.00 0.00 47.33 47.59 1faf h GLY 28 CO -0.57 0.12 -0.79 3.21 0.00 0.00 0.00 176.54 178.50 1faf h ARG 29 N 0.37 0.15 -0.48 4.80 3.08 -1.07 -2.96 114.38 118.26 1faf h ARG 29 Ca 0.18 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1faf h ARG 29 Cb 0.26 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1faf h ARG 29 CO -0.04 1.12 0.25 0.00 -1.07 0.00 0.00 179.97 180.23 1faf h MET 30 N -0.64 0.69 -0.52 0.04 -0.00 -1.16 -0.08 114.93 113.26 1faf h MET 30 Ca -0.17 -0.09 -0.04 0.00 -0.00 0.00 0.00 59.70 59.40 1faf h MET 30 Cb 1.43 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 32.88 1faf h MET 30 CO 0.03 0.56 0.18 0.37 -0.00 0.00 0.00 176.91 178.05 1faf h GLN 31 N 0.64 0.80 -0.76 -0.10 4.15 -1.16 0.48 115.11 119.16 1faf h GLN 31 Ca 0.17 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1faf h GLN 31 Cb 0.08 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 1faf h GLN 31 CO -0.02 0.72 0.46 0.37 -1.93 0.00 0.00 178.83 178.43 1faf h GLN 32 N 0.71 1.03 -0.02 1.69 4.15 -1.31 -1.41 115.11 119.94 1faf h GLN 32 Ca 0.17 -0.09 -0.16 0.00 0.77 0.00 0.00 58.65 59.34 1faf h GLN 32 Cb 0.24 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1faf h GLN 32 CO -0.01 0.73 -0.71 0.00 -1.93 0.00 0.00 178.83 176.91 1faf h ALA 33 N 1.24 0.78 -0.28 3.38 0.00 -0.69 -2.75 119.26 120.94 1faf h ALA 33 Ca 0.27 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1faf h ALA 33 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1faf h ALA 33 CO -0.05 0.84 0.13 -0.92 0.00 0.00 0.00 179.25 179.25 1faf h TYR 34 N 0.08 0.40 -0.65 0.00 5.03 0.62 -1.97 116.97 120.48 1faf h TYR 34 Ca -0.02 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.20 1faf h TYR 34 Cb 1.26 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.39 1faf h TYR 34 CO 0.01 0.37 0.12 -0.22 -1.32 0.00 0.00 178.16 177.13 1faf h LYS 35 N 0.32 1.07 0.00 1.82 3.64 -1.28 -1.19 116.57 120.94 1faf h LYS 35 Ca 0.10 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1faf h LYS 35 Cb 0.12 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1faf h LYS 35 CO -0.01 0.98 -0.02 1.96 -2.27 0.00 0.00 179.45 180.08 1faf h GLN 36 N 0.99 0.00 0.02 1.90 4.20 -1.26 -1.79 115.11 119.17 1faf h GLN 36 Ca 0.20 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.66 1faf h GLN 36 Cb 0.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1faf h GLN 36 CO 0.01 0.02 -1.31 1.96 -0.67 0.00 0.00 178.83 178.84 1faf h GLN 37 N 0.00 0.04 -0.15 1.46 1.08 -0.85 -3.30 115.11 113.40 1faf h GLN 37 Ca -0.00 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1faf h GLN 37 Cb 0.04 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1faf h GLN 37 CO 0.00 0.85 0.15 0.77 -0.95 0.00 0.00 178.83 179.65 1faf h SER 38 N 0.01 0.00 0.14 1.46 0.02 -0.32 0.11 113.55 114.98 1faf h SER 38 Ca -0.13 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.61 1faf h SER 38 Cb 1.89 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.45 1faf h SER 38 CO 0.12 0.00 -0.88 -0.07 -1.14 0.00 0.00 176.83 174.86 1faf h LEU 39 N 0.00 0.53 -0.04 5.07 3.38 -1.61 -3.30 115.31 119.33 1faf h LEU 39 Ca 0.07 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1faf h LEU 39 Cb 0.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1faf h LEU 39 CO -0.00 1.42 -0.06 0.00 0.09 0.00 0.00 178.44 179.89 1faf n LEU 40 N -4.08 0.12 -0.69 1.67 -0.00 -0.82 -3.15 117.00 110.06 1faf n LEU 40 Ca -0.14 0.30 0.10 0.00 -0.00 0.00 0.00 56.01 56.26 1faf n LEU 40 Cb 0.85 -0.35 0.30 0.00 -0.00 0.00 0.00 43.42 44.23 1faf n LEU 40 CO 0.50 0.03 0.73 0.18 -0.00 0.00 0.00 177.39 178.83 1faf n LEU 41 N -1.33 2.06 -4.74 1.47 4.77 0.33 -4.09 117.00 115.47 1faf n LEU 41 Ca 0.11 -0.91 -0.39 0.00 -0.03 0.00 0.00 56.01 54.80 1faf n LEU 41 Cb 0.29 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1faf n LEU 41 CO 0.26 0.45 0.25 -2.28 -1.33 0.00 0.00 177.39 174.74 1faf s HIS 42 N -1.67 3.59 -0.06 -1.77 2.46 -1.19 -4.24 115.29 112.40 1faf s HIS 42 Ca 0.32 1.06 0.18 0.00 0.47 0.00 0.00 55.06 57.08 1faf s HIS 42 Cb 0.17 -2.60 0.96 0.00 -0.13 0.00 0.00 32.58 30.98 1faf s HIS 42 CO 0.25 0.23 1.49 -0.35 -2.47 0.00 0.00 174.74 173.89 1faf n PRO 43 N 3.32 0.12 0.18 2.88 -0.04 -1.25 -0.30 135.00 139.92 1faf n PRO 43 Ca -0.06 0.61 0.08 0.00 -0.04 0.00 0.00 63.50 64.08 1faf n PRO 43 Cb 0.51 -2.04 0.10 0.00 -0.04 0.00 0.00 33.50 32.03 1faf n PRO 43 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1faf h ASP 44 N 0.00 0.00 -0.55 3.54 3.58 -1.92 -3.24 116.42 117.82 1faf h ASP 44 Ca 0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.16 1faf h ASP 44 Cb 0.32 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.20 1faf h ASP 44 CO 0.00 0.23 0.14 0.29 -2.88 0.00 0.00 179.24 177.02 1faf n LYS 45 N -3.15 1.96 -2.94 0.28 4.01 0.59 -4.92 118.16 113.99 1faf n LYS 45 Ca 0.03 -3.15 -0.11 0.00 -0.51 0.00 0.00 58.31 54.57 1faf n LYS 45 Cb 0.63 -1.93 0.05 0.00 -0.51 0.00 0.00 35.03 33.26 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 -1.13 0.07 3.55 0.72 0.00 -1.22 -4.91 105.19 102.26 1faf n GLY 46 Ca 0.42 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.46 2.27 0.39 -0.02 0.00 -0.99 -4.99 107.32 100.53 1faf s GLY 47 Ca 0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 44.72 42.68 1faf s GLY 47 CO 0.40 -2.00 0.67 -0.56 0.00 0.00 0.00 173.10 171.61 1faf s SER 48 N -3.61 6.34 -0.16 1.64 0.01 -1.26 -3.78 113.70 112.88 1faf s SER 48 Ca 0.34 0.78 -0.25 0.00 1.31 0.00 0.00 55.95 58.13 1faf s SER 48 Cb 0.07 -2.18 -0.22 0.00 0.21 0.00 0.00 66.02 63.90 1faf s SER 48 CO 0.16 -0.40 0.54 -0.74 0.41 0.00 0.00 173.24 173.21 1faf h HIS 49 N 0.81 0.00 -0.17 2.43 2.76 -1.97 -3.33 115.15 115.67 1faf h HIS 49 Ca -0.48 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.74 1faf h HIS 49 Cb 1.20 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 1faf h HIS 49 CO 0.56 1.07 0.28 0.00 -1.30 0.00 0.00 177.93 178.55 1faf h ALA 50 N -0.23 1.68 0.29 5.26 0.00 -1.96 -2.09 119.26 122.22 1faf h ALA 50 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1faf h ALA 50 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1faf h ALA 50 CO -0.06 -0.37 -0.14 -0.07 0.00 0.00 0.00 179.25 178.61 1faf h LEU 51 N 0.00 -0.33 0.27 0.00 4.07 -1.91 -1.74 115.31 115.67 1faf h LEU 51 Ca 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1faf h LEU 51 Cb 0.64 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1faf h LEU 51 CO -0.00 0.03 -0.13 0.24 -1.08 0.00 0.00 178.44 177.50 1faf h MET 52 N -0.72 -0.35 -0.11 1.13 2.86 -1.51 0.13 114.93 116.37 1faf h MET 52 Ca -0.04 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1faf h MET 52 Cb 0.49 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1faf h MET 52 CO 0.06 -0.16 0.08 -0.56 1.06 0.00 0.00 176.91 177.39 1faf h GLN 53 N -0.46 0.00 0.21 1.72 -0.00 -1.58 -2.21 115.11 112.79 1faf h GLN 53 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.30 1faf h GLN 53 Cb 0.35 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 27.85 1faf h GLN 53 CO 0.06 0.00 -1.43 0.93 -0.00 0.00 0.00 178.83 178.39 1faf h GLU 54 N 0.00 0.44 -0.20 0.06 5.08 -1.02 -3.26 114.58 115.67 1faf h GLU 54 Ca 0.05 -0.75 0.03 0.00 -1.00 0.00 0.00 59.36 57.69 1faf h GLU 54 Cb 0.21 0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1faf h GLU 54 CO -0.00 1.36 0.00 1.25 -1.00 0.00 0.00 179.01 180.62 1faf h LEU 55 N -0.00 -0.07 -1.19 1.33 5.85 -0.18 -1.25 115.31 119.80 1faf h LEU 55 Ca -0.26 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1faf h LEU 55 Cb 2.02 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 43.08 1faf h LEU 55 CO 0.21 -0.01 0.56 0.78 -0.34 0.00 0.00 178.44 179.64 1faf h ASN 56 N 0.06 0.88 -0.23 1.25 2.35 -1.56 0.11 115.58 118.43 1faf h ASN 56 Ca 0.09 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1faf h ASN 56 Cb 0.11 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1faf h ASN 56 CO -0.15 0.59 0.00 0.28 -1.65 0.00 0.00 177.43 176.49 1faf h SER 57 N 1.01 0.40 0.79 5.81 0.02 -1.45 0.35 113.55 120.48 1faf h SER 57 Ca 0.36 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1faf h SER 57 Cb 0.12 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1faf h SER 57 CO -0.12 0.61 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.81 1faf h LEU 58 N 0.19 0.00 0.00 5.07 3.38 -0.78 -2.72 115.31 120.44 1faf h LEU 58 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1faf h LEU 58 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1faf h LEU 58 CO 0.01 0.30 -0.89 -0.25 0.09 0.00 0.00 178.44 177.70 1faf h TRP 59 N 0.00 0.00 0.15 1.13 2.91 -0.61 -3.18 115.95 116.35 1faf h TRP 59 Ca -0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1faf h TRP 59 Cb 0.77 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 1faf h TRP 59 CO 0.00 0.03 -0.07 0.78 -1.03 0.00 0.00 178.44 178.15 1faf h GLY 60 N 3.98 -0.20 0.35 2.65 0.00 -0.00 -1.35 103.07 108.49 1faf h GLY 60 Ca -0.01 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.46 1faf h GLY 60 CO 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 176.54 176.37 1faf h THR 61 N -0.69 0.64 -0.79 4.70 1.03 -1.70 0.12 112.91 116.23 1faf h THR 61 Ca -0.02 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.53 1faf h THR 61 Cb 0.15 0.64 -0.15 0.00 -1.07 0.00 0.00 68.15 67.72 1faf h THR 61 CO 0.03 0.00 -0.26 0.15 -0.01 0.00 0.00 175.52 175.43 1faf h PHE 62 N -0.04 -0.64 -0.63 0.00 3.57 -1.68 0.47 116.94 117.99 1faf h PHE 62 Ca 0.15 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1faf h PHE 62 Cb 0.27 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1faf h PHE 62 CO -0.31 -0.37 0.34 0.87 -2.23 0.00 0.00 178.31 176.62 1faf h LYS 63 N -0.04 0.62 -1.08 1.11 1.57 0.34 0.32 116.57 119.40 1faf h LYS 63 Ca 0.35 -0.04 0.29 0.00 -1.87 0.00 0.00 60.65 59.38 1faf h LYS 63 Cb 0.59 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.66 1faf h LYS 63 CO -0.82 0.41 0.70 1.15 -0.57 0.00 0.00 179.45 180.31 1faf h THR 64 N 0.64 0.45 0.04 -0.16 2.02 0.20 1.04 112.91 117.14 1faf h THR 64 Ca 0.28 -0.12 -0.27 0.00 0.77 0.00 0.00 66.41 67.07 1faf h THR 64 Cb 0.18 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1faf h THR 64 CO -0.18 0.06 -1.46 -0.33 0.37 0.00 0.00 175.52 173.98 1faf h GLU 65 N 0.34 0.08 -0.83 6.66 4.39 -0.73 -3.34 114.58 121.15 1faf h GLU 65 Ca 0.63 -0.13 0.15 0.00 0.34 0.00 0.00 59.36 60.35 1faf h GLU 65 Cb 1.69 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 30.29 1faf h GLU 65 CO -0.32 0.84 0.40 0.28 -1.16 0.00 0.00 179.01 179.06 1faf h VAL 66 N 0.02 0.70 0.00 3.13 2.07 0.48 0.84 116.25 123.50 1faf h VAL 66 Ca -0.20 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1faf h VAL 66 Cb 1.94 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1faf h VAL 66 CO 0.12 0.10 -0.02 1.88 0.02 0.00 0.00 177.57 179.67 1faf h TYR 67 N 0.57 0.00 0.00 1.57 0.05 -1.30 -1.69 116.97 116.17 1faf h TYR 67 Ca 0.45 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 59.03 1faf h TYR 67 Cb 0.66 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 1faf h TYR 67 CO -0.11 0.02 -1.56 0.09 -1.05 0.00 0.00 178.16 175.55 1faf n ASN 68 N -4.30 0.79 0.20 3.88 3.02 0.17 -4.04 115.26 114.98 1faf n ASN 68 Ca -0.03 0.35 0.05 0.00 -0.03 0.00 0.00 54.58 54.93 1faf n ASN 68 Cb 0.11 0.21 0.43 0.00 -0.61 0.00 0.00 39.78 39.91 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 -0.29 3.41 8.10 0.13 -1.11 115.31 125.55 1faf h LEU 69 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.78 1faf h LEU 69 Cb 1.71 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.93 1faf h LEU 69 CO 0.05 0.32 0.00 0.54 -4.11 0.00 0.00 178.44 175.24 1faf n ARG 70 N -3.88 1.20 -0.02 0.17 1.74 -0.95 -2.75 116.66 112.17 1faf n ARG 70 Ca -0.02 -0.29 -0.02 0.00 -0.77 0.00 0.00 57.85 56.76 1faf n ARG 70 Cb 0.39 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 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 -0.61 2.67 0.01 5.56 2.81 -0.73 -4.25 117.12 122.58 1faf n MET 71 Ca 0.20 -0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.20 1faf n MET 71 Cb 0.17 -1.14 0.26 0.00 -0.71 0.00 0.00 33.22 31.80 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 -2.13 0.49 -0.02 7.83 4.13 -0.50 -3.91 115.26 121.16 1faf n ASN 72 Ca -0.08 -0.15 0.07 0.00 1.68 0.00 0.00 54.58 56.10 1faf n ASN 72 Cb 0.60 0.20 -0.14 0.00 -1.54 0.00 0.00 39.78 38.89 1faf n ASN 72 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1faf n LEU 73 N -1.58 0.00 0.00 3.41 7.94 -1.11 -5.09 117.00 120.57 1faf n LEU 73 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1faf n LEU 73 Cb 0.35 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1faf n LEU 73 CO 0.35 0.06 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 1faf n GLY 74 N 1.52 -1.52 2.81 -3.96 0.00 -1.25 -4.71 105.19 98.07 1faf n GLY 74 Ca -0.07 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 1.93 0.78 -0.02 0.00 -1.26 -4.80 107.32 103.94 1faf s GLY 75 Ca 0.00 -2.78 -0.13 0.00 0.00 0.00 0.00 44.72 41.81 1faf s GLY 75 CO 0.00 1.32 1.17 -0.51 0.00 0.00 0.00 173.10 175.08 1faf s THR 76 N 0.23 2.44 0.00 0.90 -4.23 -1.26 -4.92 115.64 108.79 1faf s THR 76 Ca 0.17 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1faf s THR 76 Cb -0.24 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1faf s THR 76 CO -0.02 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1faf n GLY 77 N 0.09 0.00 3.65 3.99 0.00 -1.26 -5.13 105.19 106.53 1faf n GLY 77 Ca 0.12 0.00 -0.43 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 0.00 2.70 -0.60 1.61 0.40 -1.26 -5.37 117.98 115.46 1faf s PHE 78 Ca 0.00 0.89 0.05 0.00 -0.60 0.00 0.00 56.93 57.27 1faf s PHE 78 Cb 0.00 -3.72 0.04 0.00 0.51 0.00 0.00 43.02 39.85 1faf s PHE 78 CO 0.00 -1.86 0.65 1.04 0.70 0.00 0.00 175.22 175.75