#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 -4.24 7.83 -0.08 -1.26 -5.00 116.55 113.80 1faf n ASP 2 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1faf n ASP 2 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1faf n ASP 2 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1faf s ARG 3 N -0.86 2.92 -0.16 -0.67 6.06 -1.26 -5.05 118.95 119.93 1faf s ARG 3 Ca 0.00 -2.13 -0.27 0.00 -2.50 0.00 0.00 55.73 50.83 1faf s ARG 3 Cb 0.00 -4.10 -0.01 0.00 0.06 0.00 0.00 34.95 30.90 1faf s ARG 3 CO 0.00 -1.24 0.91 0.14 -2.50 0.00 0.00 175.30 172.61 1faf s VAL 4 N 0.73 4.83 0.13 7.11 -7.23 -1.26 -4.57 120.40 120.14 1faf s VAL 4 Ca 0.11 1.80 -0.15 0.00 -1.81 0.00 0.00 61.98 61.94 1faf s VAL 4 Cb -0.21 -4.21 -0.07 0.00 0.56 0.00 0.00 36.38 32.46 1faf s VAL 4 CO -0.03 -0.00 0.54 -1.48 -0.31 0.00 0.00 175.10 173.81 1faf s LEU 5 N 2.22 4.36 0.00 1.32 0.05 -1.26 -5.10 118.68 120.28 1faf s LEU 5 Ca 0.42 1.08 -0.03 0.00 0.05 0.00 0.00 54.13 55.65 1faf s LEU 5 Cb -0.17 -3.21 0.13 0.00 -2.05 0.00 0.00 46.19 40.90 1faf s LEU 5 CO 0.13 0.13 0.87 -1.54 -0.55 0.00 0.00 176.35 175.39 1faf n SER 6 N 0.91 0.88 -0.18 1.48 3.41 -1.26 -4.66 113.62 114.20 1faf n SER 6 Ca -0.06 -1.81 0.13 0.00 -0.26 0.00 0.00 58.87 56.86 1faf n SER 6 Cb 0.52 -0.59 0.45 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.52 -0.06 4.33 2.43 -1.98 0.35 114.38 119.97 1faf h ARG 7 Ca -0.29 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.67 1faf h ARG 7 Cb 0.99 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1faf h ARG 7 CO 0.28 0.35 -0.75 0.00 -1.51 0.00 0.00 179.97 178.34 1faf h ALA 8 N 1.63 0.61 0.01 2.80 0.00 -1.98 -1.93 119.26 120.40 1faf h ALA 8 Ca 0.37 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1faf h ALA 8 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1faf h ALA 8 CO -0.13 0.78 -0.00 -0.44 0.00 0.00 0.00 179.25 179.46 1faf h ASP 9 N 0.23 -0.01 -0.53 0.00 3.32 -1.48 -2.25 116.42 115.70 1faf h ASP 9 Ca -0.03 -0.86 0.01 0.00 0.02 0.00 0.00 57.03 56.17 1faf h ASP 9 Cb 1.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 1faf h ASP 9 CO 0.12 0.88 0.35 0.07 -1.72 0.00 0.00 179.24 178.95 1faf h LYS 10 N -0.92 0.70 -0.12 3.56 2.10 -0.49 0.17 116.57 121.57 1faf h LYS 10 Ca -0.00 -0.04 -0.12 0.00 -2.00 0.00 0.00 60.65 58.49 1faf h LYS 10 Cb 0.86 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1faf h LYS 10 CO 0.00 0.46 -0.45 0.93 -2.00 0.00 0.00 179.45 178.40 1faf h GLU 11 N 0.72 0.30 -0.19 0.07 4.39 -1.42 -2.53 114.58 115.91 1faf h GLU 11 Ca 0.19 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1faf h GLU 11 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1faf h GLU 11 CO -0.04 0.69 -0.30 -0.09 -1.16 0.00 0.00 179.01 178.11 1faf h ARG 12 N 0.24 0.37 -0.82 2.33 2.43 -0.39 -2.50 114.38 116.05 1faf h ARG 12 Ca 0.02 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1faf h ARG 12 Cb 0.89 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 1faf h ARG 12 CO 0.07 0.64 0.47 1.25 -1.51 0.00 0.00 179.97 180.88 1faf h LEU 13 N 0.32 1.00 -0.91 3.80 5.85 -0.72 -1.99 115.31 122.67 1faf h LEU 13 Ca 0.04 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1faf h LEU 13 Cb 0.69 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1faf h LEU 13 CO 0.05 0.79 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.69 1faf h LEU 14 N 1.14 0.59 0.36 2.25 3.38 -1.30 -2.02 115.31 119.71 1faf h LEU 14 Ca 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1faf h LEU 14 Cb -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1faf h LEU 14 CO -0.05 0.78 -0.42 -0.08 0.09 0.00 0.00 178.44 178.76 1faf h GLU 15 N 0.53 -0.77 0.00 1.13 4.57 -1.07 0.79 114.58 119.76 1faf h GLU 15 Ca 0.09 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1faf h GLU 15 Cb 0.62 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1faf h GLU 15 CO 0.04 -0.51 0.00 1.28 -1.18 0.00 0.00 179.01 178.64 1faf n LEU 16 N -4.94 0.34 0.00 1.64 4.32 -1.16 -1.84 117.00 115.36 1faf n LEU 16 Ca -0.09 0.59 0.12 0.00 -0.02 0.00 0.00 56.01 56.61 1faf n LEU 16 Cb 0.37 -0.56 0.24 0.00 -1.62 0.00 0.00 43.42 41.85 1faf n LEU 16 CO 0.20 -0.47 0.44 0.18 -1.22 0.00 0.00 177.39 176.53 1faf n LEU 17 N -1.88 0.51 -1.34 2.23 7.99 -0.43 -4.82 117.00 119.26 1faf n LEU 17 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.88 1faf n LEU 17 Cb 0.17 -0.24 -0.06 0.00 -0.11 0.00 0.00 43.42 43.17 1faf n LEU 17 CO 0.15 0.12 -0.14 0.29 -1.51 0.00 0.00 177.39 176.30 1faf n LYS 18 N -1.53 -1.41 -3.73 3.23 5.02 0.14 -4.56 118.16 115.32 1faf n LYS 18 Ca 0.05 0.90 -0.37 0.00 -2.02 0.00 0.00 58.31 56.87 1faf n LYS 18 Cb 0.34 -5.17 -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 -3.76 5.34 1.00 -0.35 1.98 -1.06 -5.07 118.68 116.75 1faf s LEU 19 Ca 0.00 -2.11 -0.22 0.00 -2.89 0.00 0.00 54.13 48.91 1faf s LEU 19 Cb 0.00 -1.86 -0.17 0.00 0.66 0.00 0.00 46.19 44.81 1faf s LEU 19 CO 0.00 -0.55 -1.19 -2.65 -1.89 0.00 0.00 176.35 170.07 1faf n PRO 20 N 4.52 0.00 0.00 0.98 -0.02 -1.26 -4.69 135.00 134.53 1faf n PRO 20 Ca -0.02 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.59 1faf n PRO 20 Cb 0.41 -1.00 0.37 0.00 -0.02 0.00 0.00 33.50 33.26 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 2.49 0.78 0.07 -0.52 1.85 -1.26 -3.85 116.66 116.21 1faf n ARG 21 Ca -0.02 -0.46 -0.11 0.00 -1.00 0.00 0.00 57.85 56.26 1faf n ARG 21 Cb 0.66 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.56 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1faf h GLN 22 N 1.11 0.35 -0.30 2.89 -0.00 -2.05 -3.16 115.11 113.96 1faf h GLN 22 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 1faf h GLN 22 Cb 0.50 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.08 1faf h GLN 22 CO 0.00 1.04 0.00 1.47 0.00 0.00 0.00 178.83 181.34 1faf n LEU 23 N -3.74 3.12 -4.51 -2.39 -0.00 -1.26 -4.94 117.00 103.29 1faf n LEU 23 Ca -0.05 -1.29 -0.36 0.00 -0.00 0.00 0.00 56.01 54.30 1faf n LEU 23 Cb 0.80 -0.19 -0.13 0.00 -0.00 0.00 0.00 43.42 43.90 1faf n LEU 23 CO 0.50 0.65 2.13 1.87 -0.00 0.00 0.00 177.39 182.53 1faf n TRP 24 N 1.30 0.68 0.00 1.47 -0.00 -1.20 -2.18 117.44 117.51 1faf n TRP 24 Ca 0.18 0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 1faf n TRP 24 Cb 0.57 -2.19 0.00 0.00 -0.00 0.00 0.00 31.31 29.68 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 0.56 3.55 5.87 0.00 -1.26 -5.07 105.19 115.12 1faf n GLY 25 Ca 0.60 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.19 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 6.80 0.53 1.61 -1.08 -0.93 -4.82 116.67 118.78 1faf s ASP 26 Ca 0.00 -2.31 0.43 0.00 -0.52 0.00 0.00 52.55 50.15 1faf s ASP 26 Cb 0.00 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.56 1faf s ASP 26 CO 0.00 -1.17 1.63 0.15 0.52 0.00 0.00 175.17 176.30 1faf h PHE 27 N 8.01 0.12 -0.40 -5.34 3.57 -1.98 0.71 116.94 121.63 1faf h PHE 27 Ca 0.37 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 1faf h PHE 27 Cb 0.91 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1faf h PHE 27 CO 1.34 -0.05 -0.23 0.78 -2.23 0.00 0.00 178.31 177.92 1faf h GLY 28 N 0.02 0.88 0.11 2.40 0.00 -1.99 -1.99 103.07 102.49 1faf h GLY 28 Ca 0.85 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1faf h GLY 28 CO -0.10 0.70 -0.26 3.21 0.00 0.00 0.00 176.54 180.08 1faf h ARG 29 N 0.70 0.05 -0.34 4.80 3.08 -0.01 -2.94 114.38 119.72 1faf h ARG 29 Ca 0.09 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1faf h ARG 29 Cb 0.76 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1faf h ARG 29 CO 0.06 1.04 0.17 0.00 -1.07 0.00 0.00 179.97 180.17 1faf h MET 30 N -0.90 0.35 -0.74 0.04 -0.00 -1.43 -1.21 114.93 111.04 1faf h MET 30 Ca -0.06 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.56 1faf h MET 30 Cb 1.13 -0.08 -0.03 0.00 -0.00 0.00 0.00 31.60 32.62 1faf h MET 30 CO 0.00 0.23 0.25 0.37 -0.00 0.00 0.00 176.91 177.76 1faf h GLN 31 N 0.36 1.14 -1.01 -0.10 4.15 -1.51 0.09 115.11 118.23 1faf h GLN 31 Ca 0.14 -0.24 0.05 0.00 0.77 0.00 0.00 58.65 59.37 1faf h GLN 31 Cb 0.04 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.50 1faf h GLN 31 CO -0.09 0.96 0.66 0.37 -1.93 0.00 0.00 178.83 178.80 1faf h GLN 32 N 1.10 1.20 -0.28 1.69 5.75 -1.25 -1.47 115.11 121.85 1faf h GLN 32 Ca 0.24 -0.07 -0.19 0.00 -0.15 0.00 0.00 58.65 58.48 1faf h GLN 32 Cb 0.28 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1faf h GLN 32 CO -0.01 0.80 -0.56 0.00 -2.65 0.00 0.00 178.83 176.41 1faf h ALA 33 N 1.43 0.48 -0.54 3.38 0.00 -0.74 -2.72 119.26 120.55 1faf h ALA 33 Ca 0.41 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1faf h ALA 33 Cb 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1faf h ALA 33 CO -0.14 0.68 0.17 -0.92 0.00 0.00 0.00 179.25 179.04 1faf h TYR 34 N 0.65 0.29 -0.47 0.00 5.03 -0.06 -0.62 116.97 121.79 1faf h TYR 34 Ca 0.01 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 1faf h TYR 34 Cb 1.16 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 1faf h TYR 34 CO 0.07 0.06 0.13 0.87 -1.32 0.00 0.00 178.16 177.98 1faf h LYS 35 N 0.33 0.74 -0.64 1.82 1.57 -1.28 0.64 116.57 119.76 1faf h LYS 35 Ca 0.27 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1faf h LYS 35 Cb 0.33 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1faf h LYS 35 CO -0.30 0.72 0.43 1.96 -0.57 0.00 0.00 179.45 181.69 1faf h GLN 36 N 0.63 0.74 0.00 3.15 1.08 -1.02 -1.54 115.11 118.14 1faf h GLN 36 Ca 0.15 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1faf h GLN 36 Cb 0.29 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1faf h GLN 36 CO -0.00 0.49 -1.02 1.04 -0.95 0.00 0.00 178.83 178.38 1faf n GLN 37 N -4.46 0.60 0.11 1.46 1.13 -0.32 -3.94 117.38 111.96 1faf n GLN 37 Ca 0.08 0.12 -0.03 0.00 -1.94 0.00 0.00 57.00 55.22 1faf n GLN 37 Cb 0.14 -1.82 0.14 0.00 0.11 0.00 0.00 30.24 28.80 1faf n GLN 37 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1faf h SER 38 N 0.00 0.14 0.09 1.08 4.64 0.12 -2.34 113.55 117.28 1faf h SER 38 Ca 0.00 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1faf h SER 38 Cb 0.99 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1faf h SER 38 CO 0.00 0.73 -0.36 -0.07 -0.87 0.00 0.00 176.83 176.27 1faf h LEU 39 N 0.09 0.38 0.00 5.97 3.38 -1.47 -2.71 115.31 120.95 1faf h LEU 39 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1faf h LEU 39 Cb 1.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1faf h LEU 39 CO 0.09 0.71 -0.49 0.17 0.09 0.00 0.00 178.44 179.02 1faf h LEU 40 N 0.32 0.00 -1.25 1.67 8.10 -1.69 -3.23 115.31 119.22 1faf h LEU 40 Ca 0.04 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1faf h LEU 40 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 1faf h LEU 40 CO 0.06 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.64 1faf n LEU 41 N -2.26 1.87 -4.79 0.17 4.77 -0.89 -3.72 117.00 112.14 1faf n LEU 41 Ca 0.03 -0.80 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 1faf n LEU 41 Cb 0.45 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1faf n LEU 41 CO 0.35 0.40 0.24 -2.28 -1.33 0.00 0.00 177.39 174.77 1faf s HIS 42 N -1.74 3.73 -0.34 -1.77 2.46 -1.10 -3.66 115.29 112.87 1faf s HIS 42 Ca 0.32 1.17 0.18 0.00 0.47 0.00 0.00 55.06 57.20 1faf s HIS 42 Cb 0.18 -2.49 0.97 0.00 -0.13 0.00 0.00 32.58 31.10 1faf s HIS 42 CO 0.26 0.50 1.54 -0.35 -2.47 0.00 0.00 174.74 174.22 1faf n PRO 43 N 2.19 0.11 0.14 2.88 -0.04 -1.21 -0.57 135.00 138.50 1faf n PRO 43 Ca -0.10 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1faf n PRO 43 Cb 0.51 -1.88 0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.14 3.54 3.58 -1.92 -3.31 116.42 118.17 1faf h ASP 44 Ca 0.00 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 1faf h ASP 44 Cb 0.00 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 1faf h ASP 44 CO 0.00 0.02 -0.36 0.29 -2.88 0.00 0.00 179.24 176.31 1faf n LYS 45 N -2.69 1.71 -2.66 0.28 4.76 0.05 -4.94 118.16 114.67 1faf n LYS 45 Ca 0.03 -3.29 -0.05 0.00 -2.87 0.00 0.00 58.31 52.13 1faf n LYS 45 Cb 0.51 -1.70 0.02 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.12 0.54 3.54 0.72 0.00 -1.16 -4.83 105.19 102.88 1faf n GLY 46 Ca 0.25 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.12 2.21 0.33 -0.02 0.00 0.26 -4.91 107.32 102.07 1faf s GLY 47 Ca 0.10 -2.12 -0.07 0.00 0.00 0.00 0.00 44.72 42.63 1faf s GLY 47 CO 0.16 -1.99 0.63 -0.56 0.00 0.00 0.00 173.10 171.34 1faf s SER 48 N -3.60 6.47 0.08 1.64 0.01 -1.24 -3.32 113.70 113.74 1faf s SER 48 Ca 0.33 0.86 0.09 0.00 1.31 0.00 0.00 55.95 58.54 1faf s SER 48 Cb 0.06 -2.20 -0.20 0.00 0.21 0.00 0.00 66.02 63.88 1faf s SER 48 CO 0.16 -0.27 1.10 -0.74 0.41 0.00 0.00 173.24 173.90 1faf h HIS 49 N 1.53 0.00 0.09 2.43 2.76 -1.96 -3.24 115.15 116.76 1faf h HIS 49 Ca -0.47 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.44 1faf h HIS 49 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1faf h HIS 49 CO 0.59 0.97 -1.14 0.00 -1.30 0.00 0.00 177.93 177.04 1faf h ALA 50 N 1.03 0.20 0.11 5.26 0.00 -1.94 -3.20 119.26 120.72 1faf h ALA 50 Ca -0.09 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 1faf h ALA 50 Cb 1.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1faf h ALA 50 CO 0.11 0.96 -0.05 -0.07 0.00 0.00 0.00 179.25 180.20 1faf h LEU 51 N 0.10 -0.13 -1.90 0.00 4.07 -1.91 0.12 115.31 115.67 1faf h LEU 51 Ca -0.11 -0.16 0.08 0.00 0.08 0.00 0.00 57.88 57.77 1faf h LEU 51 Cb 1.85 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.60 1faf h LEU 51 CO 0.19 0.08 0.24 -0.03 -1.08 0.00 0.00 178.44 177.84 1faf h MET 52 N -0.34 0.11 0.24 1.13 4.05 -1.67 -1.24 114.93 117.20 1faf h MET 52 Ca -0.02 -0.01 -0.33 0.00 -0.28 0.00 0.00 59.70 59.07 1faf h MET 52 Cb 0.28 -0.03 0.03 0.00 -0.80 0.00 0.00 31.60 31.08 1faf h MET 52 CO 0.03 0.07 -1.48 1.96 0.23 0.00 0.00 176.91 177.72 1faf h GLN 53 N 0.12 0.50 -0.05 0.39 1.08 -1.47 -2.78 115.11 112.90 1faf h GLN 53 Ca 0.16 -0.85 0.00 0.00 -1.45 0.00 0.00 58.65 56.51 1faf h GLN 53 Cb 0.50 0.32 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1faf h GLN 53 CO -0.02 1.41 0.03 1.49 -0.95 0.00 0.00 178.83 180.79 1faf h GLU 54 N 0.14 0.06 -0.17 1.46 4.57 0.16 -2.13 114.58 118.67 1faf h GLU 54 Ca -0.25 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.85 1faf h GLU 54 Cb 2.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.71 1faf h GLU 54 CO 0.26 0.04 -0.23 1.25 -1.18 0.00 0.00 179.01 179.15 1faf h LEU 55 N 0.06 0.30 -1.38 1.64 5.85 -1.39 -2.55 115.31 117.84 1faf h LEU 55 Ca 0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1faf h LEU 55 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1faf h LEU 55 CO -0.00 0.54 0.27 -1.13 -0.34 0.00 0.00 178.44 177.78 1faf h ASN 56 N 0.28 0.61 -0.41 1.25 -0.73 -1.14 0.50 115.58 115.94 1faf h ASN 56 Ca 0.05 -0.04 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1faf h ASN 56 Cb 0.57 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1faf h ASN 56 CO 0.04 0.50 -0.25 0.28 -0.37 0.00 0.00 177.43 177.63 1faf h SER 57 N 0.70 0.93 0.60 1.15 0.02 -0.98 0.86 113.55 116.84 1faf h SER 57 Ca 0.18 -0.42 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 1faf h SER 57 Cb 0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1faf h SER 57 CO -0.03 1.15 -0.48 -0.07 -1.14 0.00 0.00 176.83 176.26 1faf h LEU 58 N 0.71 0.00 0.00 5.07 3.38 -1.26 -2.26 115.31 120.95 1faf h LEU 58 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1faf h LEU 58 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1faf h LEU 58 CO 0.07 0.48 -1.05 1.87 0.09 0.00 0.00 178.44 179.90 1faf n TRP 59 N -3.81 0.93 0.06 1.13 -0.00 0.11 -3.35 117.44 112.52 1faf n TRP 59 Ca -0.01 0.27 -0.03 0.00 -0.00 0.00 0.00 57.50 57.73 1faf n TRP 59 Cb 0.52 -0.94 -0.02 0.00 -0.00 0.00 0.00 31.31 30.88 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 4.00 -0.21 0.33 5.87 0.00 0.10 -0.99 103.07 112.17 1faf h GLY 60 Ca -0.00 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.48 1faf h GLY 60 CO 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 176.54 176.42 1faf h THR 61 N -0.66 0.67 -0.72 4.70 1.03 -1.62 0.18 112.91 116.49 1faf h THR 61 Ca -0.02 -0.02 0.14 0.00 -0.01 0.00 0.00 66.41 66.50 1faf h THR 61 Cb 0.16 0.62 -0.14 0.00 -1.07 0.00 0.00 68.15 67.72 1faf h THR 61 CO 0.03 0.01 -0.21 0.15 -0.01 0.00 0.00 175.52 175.49 1faf h PHE 62 N 0.05 -0.48 -0.60 0.00 3.57 -1.68 0.79 116.94 118.59 1faf h PHE 62 Ca 0.18 0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1faf h PHE 62 Cb 0.27 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1faf h PHE 62 CO -0.29 -0.33 0.40 -0.22 -2.23 0.00 0.00 178.31 175.64 1faf h LYS 63 N -0.02 0.74 -0.94 1.11 3.64 0.67 -0.07 116.57 121.69 1faf h LYS 63 Ca 0.34 -0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.87 1faf h LYS 63 Cb 0.54 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 1faf h LYS 63 CO -0.75 0.49 0.60 1.15 -2.27 0.00 0.00 179.45 178.67 1faf h THR 64 N 0.76 0.70 0.00 1.00 2.02 0.27 0.94 112.91 118.59 1faf h THR 64 Ca 0.23 -0.18 -0.21 0.00 0.77 0.00 0.00 66.41 67.02 1faf h THR 64 Cb -0.00 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1faf h THR 64 CO -0.06 0.10 -1.15 -0.33 0.37 0.00 0.00 175.52 174.45 1faf h GLU 65 N 0.54 0.00 0.66 6.66 4.39 -0.86 -3.28 114.58 122.68 1faf h GLU 65 Ca 0.50 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.17 1faf h GLU 65 Cb 1.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1faf h GLU 65 CO -0.24 0.72 -0.31 0.28 -1.16 0.00 0.00 179.01 178.30 1faf h VAL 66 N 0.00 0.00 -0.76 3.13 2.07 0.23 1.12 116.25 122.04 1faf h VAL 66 Ca -0.10 -0.15 0.22 0.00 0.82 0.00 0.00 66.70 67.49 1faf h VAL 66 Cb 1.76 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1faf h VAL 66 CO 0.10 0.00 0.62 0.10 0.02 0.00 0.00 177.57 178.41 1faf h TYR 67 N -1.03 0.00 0.00 1.57 -0.00 -0.17 0.63 116.97 117.98 1faf h TYR 67 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.55 1faf h TYR 67 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.39 1faf h TYR 67 CO 0.04 0.00 -1.29 0.09 -0.00 0.00 0.00 178.16 177.00 1faf n ASN 68 N -4.04 0.80 0.06 0.10 3.02 -1.09 -4.05 115.26 110.06 1faf n ASN 68 Ca 0.16 0.33 0.07 0.00 -0.03 0.00 0.00 54.58 55.11 1faf n ASN 68 Cb 0.90 0.38 0.51 0.00 -0.61 0.00 0.00 39.78 40.96 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 0.30 0.00 3.41 8.10 0.73 0.54 115.31 128.39 1faf h LEU 69 Ca -0.09 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1faf h LEU 69 Cb 1.32 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 1faf h LEU 69 CO 0.02 0.21 0.00 0.54 -4.11 0.00 0.00 178.44 175.10 1faf n ARG 70 N -4.49 0.85 -0.51 0.17 5.12 -1.14 -2.73 116.66 113.92 1faf n ARG 70 Ca 0.03 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.02 1faf n ARG 70 Cb 0.15 -1.45 0.26 0.00 -1.16 0.00 0.00 32.46 30.26 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 -0.95 2.94 -0.05 5.56 2.81 0.18 -4.48 117.12 123.13 1faf n MET 71 Ca 0.18 -2.90 -0.06 0.00 -1.81 0.00 0.00 57.70 53.12 1faf n MET 71 Cb 0.08 -1.88 -0.07 0.00 -0.71 0.00 0.00 33.22 30.65 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 -0.51 2.87 -4.54 7.83 5.03 -1.11 -4.53 115.26 120.30 1faf n ASN 72 Ca 0.23 -0.02 -0.42 0.00 0.87 0.00 0.00 54.58 55.24 1faf n ASN 72 Cb 0.94 0.41 -0.02 0.00 -1.02 0.00 0.00 39.78 40.09 1faf n ASN 72 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1faf s LEU 73 N -5.02 3.93 0.00 3.41 0.20 -1.26 -3.61 118.68 116.34 1faf s LEU 73 Ca -0.08 -1.83 0.00 0.00 0.69 0.00 0.00 54.13 52.91 1faf s LEU 73 Cb 0.03 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 1faf s LEU 73 CO 0.34 -1.32 0.00 0.61 -0.29 0.00 0.00 176.35 175.68 1faf n GLY 74 N 6.21 4.61 0.00 7.98 0.00 -1.26 -5.11 105.19 117.62 1faf n GLY 74 Ca 0.34 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.63 3.69 -0.02 0.00 -1.24 -4.94 105.19 103.32 1faf n GLY 75 Ca 0.00 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.49 4.49 -0.39 2.61 -4.23 -1.26 -4.93 115.64 110.44 1faf s THR 76 Ca 0.00 1.78 0.03 0.00 -1.18 0.00 0.00 61.69 62.32 1faf s THR 76 Cb 0.00 -4.15 0.29 0.00 1.34 0.00 0.00 72.50 69.98 1faf s THR 76 CO 0.00 0.03 1.17 0.61 -0.54 0.00 0.00 174.62 175.89 1faf n GLY 77 N 3.20 -0.81 3.35 3.99 0.00 -1.26 -5.08 105.19 108.58 1faf n GLY 77 Ca 0.09 0.57 -0.45 0.00 0.00 0.00 0.00 46.02 46.23 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 0.27 4.10 -2.54 1.61 5.36 -1.26 -5.27 117.98 120.26 1faf s PHE 78 Ca 0.26 -2.49 0.28 0.00 -0.96 0.00 0.00 56.93 54.01 1faf s PHE 78 Cb 0.25 -3.89 0.99 0.00 -0.34 0.00 0.00 43.02 40.03 1faf s PHE 78 CO -0.15 -1.01 1.71 0.94 -1.46 0.00 0.00 175.22 175.25