#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 6.44 -0.34 7.83 -1.08 -1.26 -4.95 116.67 123.31 1faf s ASP 2 Ca 0.00 2.71 0.01 0.00 -0.52 0.00 0.00 52.55 54.75 1faf s ASP 2 Cb 0.00 -2.55 0.15 0.00 -1.46 0.00 0.00 42.92 39.06 1faf s ASP 2 CO 0.00 -1.03 0.32 -0.60 0.52 0.00 0.00 175.17 174.39 1faf s ARG 3 N 3.56 0.50 -0.03 4.34 6.06 -1.26 -5.13 118.95 127.00 1faf s ARG 3 Ca 0.84 -0.64 0.00 0.00 -2.50 0.00 0.00 55.73 53.43 1faf s ARG 3 Cb -0.44 -0.77 0.03 0.00 0.06 0.00 0.00 34.95 33.82 1faf s ARG 3 CO 0.39 -1.13 -0.00 0.14 -2.50 0.00 0.00 175.30 172.19 1faf s VAL 4 N 1.75 0.20 0.04 7.11 -7.23 -1.26 -4.77 120.40 116.24 1faf s VAL 4 Ca 0.14 0.07 -0.25 0.00 -1.81 0.00 0.00 61.98 60.13 1faf s VAL 4 Cb -0.16 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.44 1faf s VAL 4 CO -0.15 0.15 0.75 -1.48 -0.31 0.00 0.00 175.10 174.07 1faf s LEU 5 N 1.00 4.45 1.29 1.32 2.34 -1.26 -5.06 118.68 122.76 1faf s LEU 5 Ca -0.10 1.43 -0.20 0.00 0.06 0.00 0.00 54.13 55.32 1faf s LEU 5 Cb -0.14 -3.21 0.32 0.00 -0.56 0.00 0.00 46.19 42.60 1faf s LEU 5 CO -0.02 0.02 1.03 -0.94 -1.06 0.00 0.00 176.35 175.38 1faf s SER 6 N -0.07 0.14 0.36 1.48 1.04 -1.26 -4.45 113.70 110.94 1faf s SER 6 Ca 0.38 0.82 0.07 0.00 0.48 0.00 0.00 55.95 57.70 1faf s SER 6 Cb -0.20 -1.17 0.78 0.00 0.10 0.00 0.00 66.02 65.53 1faf s SER 6 CO 0.23 -4.62 1.93 0.03 0.98 0.00 0.00 173.24 171.78 1faf h ARG 7 N -2.92 0.70 -0.55 4.02 3.08 -1.98 0.25 114.38 116.97 1faf h ARG 7 Ca -0.46 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.44 1faf h ARG 7 Cb 1.32 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1faf h ARG 7 CO 0.34 0.46 -0.05 0.00 -1.07 0.00 0.00 179.97 179.65 1faf h ALA 8 N 1.60 0.85 0.29 0.04 0.00 -1.97 -0.15 119.26 119.93 1faf h ALA 8 Ca 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1faf h ALA 8 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1faf h ALA 8 CO -0.14 0.66 -0.14 -0.44 0.00 0.00 0.00 179.25 179.19 1faf h ASP 9 N 0.90 -0.33 -0.67 0.00 3.32 -1.45 0.85 116.42 119.04 1faf h ASP 9 Ca 0.15 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1faf h ASP 9 Cb 0.60 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1faf h ASP 9 CO 0.04 0.13 0.44 0.07 -1.72 0.00 0.00 179.24 178.20 1faf h LYS 10 N -0.94 0.67 -0.05 3.56 2.10 -1.07 0.52 116.57 121.36 1faf h LYS 10 Ca -0.04 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.40 1faf h LYS 10 Cb 0.50 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1faf h LYS 10 CO 0.07 0.44 -0.71 0.93 -2.00 0.00 0.00 179.45 178.18 1faf h GLU 11 N 0.69 0.25 0.00 0.07 4.39 -1.04 -2.81 114.58 116.13 1faf h GLU 11 Ca 0.29 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1faf h GLU 11 Cb 0.25 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1faf h GLU 11 CO -0.09 0.86 -0.30 -0.09 -1.16 0.00 0.00 179.01 178.23 1faf h ARG 12 N 0.17 0.00 -0.12 2.33 2.43 0.12 -2.29 114.38 117.02 1faf h ARG 12 Ca -0.02 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1faf h ARG 12 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1faf h ARG 12 CO 0.11 0.30 -0.64 1.25 -1.51 0.00 0.00 179.97 179.48 1faf h LEU 13 N 0.00 0.52 -0.51 3.80 5.85 -0.76 -3.05 115.31 121.17 1faf h LEU 13 Ca -0.00 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 58.26 1faf h LEU 13 Cb 0.67 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1faf h LEU 13 CO 0.04 1.03 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.75 1faf h LEU 14 N 0.33 0.89 0.33 2.25 3.38 -1.24 -1.98 115.31 119.27 1faf h LEU 14 Ca -0.01 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1faf h LEU 14 Cb 1.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1faf h LEU 14 CO 0.11 1.14 -0.28 -0.08 0.09 0.00 0.00 178.44 179.43 1faf h GLU 15 N 0.70 -0.60 0.00 1.13 4.22 -1.37 -1.27 114.58 117.39 1faf h GLU 15 Ca 0.07 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1faf h GLU 15 Cb 0.91 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1faf h GLU 15 CO 0.08 -0.40 0.00 1.28 -2.18 0.00 0.00 179.01 177.79 1faf n LEU 16 N -5.40 0.20 -0.11 1.64 4.32 -1.16 -2.24 117.00 114.25 1faf n LEU 16 Ca -0.09 0.55 0.12 0.00 -0.02 0.00 0.00 56.01 56.57 1faf n LEU 16 Cb 0.31 -0.52 0.31 0.00 -1.62 0.00 0.00 43.42 41.90 1faf n LEU 16 CO 0.30 -0.32 0.54 0.18 -1.22 0.00 0.00 177.39 176.88 1faf n LEU 17 N -1.72 0.74 -1.35 2.23 7.99 -0.54 -4.80 117.00 119.55 1faf n LEU 17 Ca 0.03 -0.12 -0.14 0.00 -0.01 0.00 0.00 56.01 55.77 1faf n LEU 17 Cb 0.20 -0.19 -0.06 0.00 -0.11 0.00 0.00 43.42 43.26 1faf n LEU 17 CO 0.16 0.16 -0.13 0.29 -1.51 0.00 0.00 177.39 176.36 1faf n LYS 18 N -1.11 -1.35 -3.88 3.23 4.01 -0.82 -4.68 118.16 113.55 1faf n LYS 18 Ca 0.09 0.84 -0.35 0.00 -0.51 0.00 0.00 58.31 58.37 1faf n LYS 18 Cb 0.34 -5.09 -0.14 0.00 -0.51 0.00 0.00 35.03 29.63 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 -3.74 3.63 1.03 -0.35 0.20 -1.18 -5.09 118.68 113.18 1faf s LEU 19 Ca 0.00 -0.96 -0.20 0.00 0.69 0.00 0.00 54.13 53.66 1faf s LEU 19 Cb 0.00 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 1faf s LEU 19 CO 0.00 -0.20 -0.51 -2.65 -0.29 0.00 0.00 176.35 172.70 1faf n PRO 20 N 4.71 -0.60 0.00 0.98 -0.02 -1.26 -4.70 135.00 134.12 1faf n PRO 20 Ca -0.15 -0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.30 1faf n PRO 20 Cb 0.46 -1.40 0.43 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.14 1.12 0.08 -0.52 1.74 -1.26 -3.97 116.66 114.00 1faf n ARG 21 Ca 0.01 -0.66 -0.11 0.00 -0.77 0.00 0.00 57.85 56.32 1faf n ARG 21 Cb 0.63 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.49 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 1.60 0.15 -0.63 5.56 4.15 -2.05 -3.22 115.11 120.68 1faf h GLN 22 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1faf h GLN 22 Cb 0.51 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1faf h GLN 22 CO 0.00 1.07 0.00 1.47 -1.93 0.00 0.00 178.83 179.44 1faf n LEU 23 N -3.50 4.78 -4.54 -2.39 -0.00 -1.25 -4.94 117.00 105.15 1faf n LEU 23 Ca -0.04 -2.49 -0.34 0.00 -0.00 0.00 0.00 56.01 53.14 1faf n LEU 23 Cb 0.94 -0.58 -0.07 0.00 -0.00 0.00 0.00 43.42 43.71 1faf n LEU 23 CO 0.50 0.80 1.98 1.87 -0.00 0.00 0.00 177.39 182.53 1faf n TRP 24 N 1.03 1.15 0.00 1.47 -0.00 -1.22 -2.47 117.44 117.40 1faf n TRP 24 Ca 0.26 0.15 0.00 0.00 -0.00 0.00 0.00 57.50 57.91 1faf n TRP 24 Cb 0.90 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.72 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 6.19 0.62 3.55 5.87 0.00 -1.26 -5.09 105.19 115.07 1faf n GLY 25 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 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 5.87 0.45 1.61 2.15 -1.03 -4.84 116.67 120.88 1faf s ASP 26 Ca 0.00 -0.60 0.21 0.00 0.43 0.00 0.00 52.55 52.58 1faf s ASP 26 Cb 0.00 -2.56 1.18 0.00 -0.30 0.00 0.00 42.92 41.25 1faf s ASP 26 CO 0.00 -2.04 1.87 0.15 -0.17 0.00 0.00 175.17 174.99 1faf h PHE 27 N 11.27 0.40 -0.21 -5.34 3.57 -1.98 0.16 116.94 124.80 1faf h PHE 27 Ca -0.07 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 1faf h PHE 27 Cb 1.05 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1faf h PHE 27 CO 1.17 0.11 -0.32 0.78 -2.23 0.00 0.00 178.31 177.81 1faf h GLY 28 N 0.30 0.46 0.46 2.40 0.00 -1.99 -2.01 103.07 102.68 1faf h GLY 28 Ca 0.44 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1faf h GLY 28 CO -0.13 0.37 -0.66 3.21 0.00 0.00 0.00 176.54 179.32 1faf h ARG 29 N 0.36 0.20 -0.45 4.80 3.08 -1.42 -2.88 114.38 118.07 1faf h ARG 29 Ca 0.05 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.76 1faf h ARG 29 Cb 0.75 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1faf h ARG 29 CO 0.06 1.16 0.29 0.00 -1.07 0.00 0.00 179.97 180.41 1faf h MET 30 N -0.57 0.57 -0.53 0.04 -0.00 -1.31 -1.74 114.93 111.39 1faf h MET 30 Ca -0.13 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 59.51 1faf h MET 30 Cb 1.46 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 32.91 1faf h MET 30 CO 0.09 0.38 0.21 0.37 -0.00 0.00 0.00 176.91 177.96 1faf h GLN 31 N 0.59 0.79 -0.67 -0.10 4.15 -1.50 0.39 115.11 118.76 1faf h GLN 31 Ca 0.17 -0.14 0.11 0.00 0.77 0.00 0.00 58.65 59.56 1faf h GLN 31 Cb -0.05 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.47 1faf h GLN 31 CO -0.05 0.69 0.45 0.37 -1.93 0.00 0.00 178.83 178.36 1faf h GLN 32 N 0.72 0.45 0.05 1.69 5.75 -1.23 -1.14 115.11 121.40 1faf h GLN 32 Ca 0.18 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1faf h GLN 32 Cb 0.20 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.65 1faf h GLN 32 CO -0.01 0.30 -0.30 0.00 -2.65 0.00 0.00 178.83 176.17 1faf h ALA 33 N 1.67 -0.03 -0.86 3.38 0.00 -0.59 -2.81 119.26 120.02 1faf h ALA 33 Ca 0.32 -0.58 0.21 0.00 0.00 0.00 0.00 54.91 54.86 1faf h ALA 33 Cb 0.61 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.31 1faf h ALA 33 CO -0.10 0.14 0.30 -0.92 0.00 0.00 0.00 179.25 178.67 1faf h TYR 34 N -0.78 0.49 -0.07 0.00 5.03 0.46 0.31 116.97 122.41 1faf h TYR 34 Ca -0.05 0.04 -0.21 0.00 2.58 0.00 0.00 58.73 61.09 1faf h TYR 34 Cb 1.23 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.43 1faf h TYR 34 CO 0.25 -0.10 -0.82 0.87 -1.32 0.00 0.00 178.16 177.04 1faf h LYS 35 N 0.32 0.50 -0.53 1.82 1.79 -1.35 1.00 116.57 120.12 1faf h LYS 35 Ca 0.53 -0.45 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1faf h LYS 35 Cb 1.00 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 1faf h LYS 35 CO -0.56 1.09 0.16 0.37 -1.08 0.00 0.00 179.45 179.43 1faf h GLN 36 N 0.32 0.80 0.00 3.15 5.75 -0.46 -1.78 115.11 122.89 1faf h GLN 36 Ca -0.06 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1faf h GLN 36 Cb 1.43 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.85 1faf h GLN 36 CO 0.15 0.70 -0.97 1.04 -2.65 0.00 0.00 178.83 177.10 1faf n GLN 37 N -4.30 0.56 0.11 1.69 1.13 0.79 -3.91 117.38 113.46 1faf n GLN 37 Ca 0.04 0.11 -0.03 0.00 -1.94 0.00 0.00 57.00 55.18 1faf n GLN 37 Cb 0.20 -1.80 0.06 0.00 0.11 0.00 0.00 30.24 28.81 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 0.00 0.05 1.08 0.02 -0.37 -2.82 113.55 111.51 1faf h SER 38 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1faf h SER 38 Cb 0.96 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1faf h SER 38 CO 0.00 0.76 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.24 1faf h LEU 39 N 0.00 0.20 0.00 5.07 3.38 -1.45 -2.25 115.31 120.25 1faf h LEU 39 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1faf h LEU 39 Cb 1.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1faf h LEU 39 CO 0.10 0.37 -0.75 0.17 0.09 0.00 0.00 178.44 178.42 1faf h LEU 40 N 0.20 0.00 -1.41 1.67 8.10 -1.72 -3.28 115.31 118.86 1faf h LEU 40 Ca 0.04 -0.07 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1faf h LEU 40 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1faf h LEU 40 CO 0.02 0.03 0.00 0.18 -4.11 0.00 0.00 178.44 174.57 1faf n LEU 41 N -2.56 2.05 -4.73 0.17 4.77 -0.86 -4.36 117.00 111.49 1faf n LEU 41 Ca 0.02 -1.03 -0.39 0.00 -0.03 0.00 0.00 56.01 54.58 1faf n LEU 41 Cb 0.51 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1faf n LEU 41 CO 0.38 0.41 0.27 -2.28 -1.33 0.00 0.00 177.39 174.84 1faf s HIS 42 N -1.63 3.56 -0.06 -1.77 2.46 -1.15 -4.16 115.29 112.55 1faf s HIS 42 Ca 0.21 1.06 0.19 0.00 0.47 0.00 0.00 55.06 56.99 1faf s HIS 42 Cb 0.13 -2.64 1.02 0.00 -0.13 0.00 0.00 32.58 30.96 1faf s HIS 42 CO 0.12 0.18 1.53 -1.00 -2.47 0.00 0.00 174.74 173.09 1faf h PRO 43 N 6.54 0.00 0.00 2.88 0.13 -1.82 0.12 132.00 139.84 1faf h PRO 43 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1faf h PRO 43 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1faf h PRO 43 CO 0.74 0.00 -0.28 0.22 -0.23 0.00 0.00 178.00 178.46 1faf h ASP 44 N 0.00 0.00 -0.62 1.44 3.58 -1.92 -3.28 116.42 115.62 1faf h ASP 44 Ca 0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 1faf h ASP 44 Cb 0.28 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.13 1faf h ASP 44 CO 0.00 0.03 0.18 0.29 -2.88 0.00 0.00 179.24 176.87 1faf n LYS 45 N -3.01 2.08 -2.80 0.28 4.76 0.40 -4.92 118.16 114.95 1faf n LYS 45 Ca 0.03 -3.18 -0.10 0.00 -2.87 0.00 0.00 58.31 52.19 1faf n LYS 45 Cb 0.55 -1.98 0.05 0.00 -1.84 0.00 0.00 35.03 31.81 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 -1.11 -0.05 3.60 0.72 0.00 -1.23 -4.91 105.19 102.22 1faf n GLY 46 Ca 0.44 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.73 2.52 0.27 -0.02 0.00 -1.10 -5.00 107.32 100.26 1faf s GLY 47 Ca 0.03 -1.82 -0.11 0.00 0.00 0.00 0.00 44.72 42.82 1faf s GLY 47 CO 0.42 -2.04 0.61 -0.56 0.00 0.00 0.00 173.10 171.53 1faf s SER 48 N -3.69 6.64 0.12 1.64 0.01 -1.26 -4.30 113.70 112.86 1faf s SER 48 Ca 0.29 1.01 0.04 0.00 1.31 0.00 0.00 55.95 58.60 1faf s SER 48 Cb 0.08 -2.26 -0.17 0.00 0.21 0.00 0.00 66.02 63.87 1faf s SER 48 CO 0.14 -0.14 1.28 0.45 0.41 0.00 0.00 173.24 175.38 1faf h HIS 49 N 2.28 0.14 -0.07 2.43 3.86 -1.98 -3.23 115.15 118.59 1faf h HIS 49 Ca -0.47 -0.10 -0.19 0.00 -1.16 0.00 0.00 60.37 58.45 1faf h HIS 49 Cb 1.17 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1faf h HIS 49 CO 0.61 1.04 -0.77 0.00 0.86 0.00 0.00 177.93 179.67 1faf h ALA 50 N 0.92 0.53 0.15 2.45 0.00 -1.95 -3.15 119.26 118.22 1faf h ALA 50 Ca -0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1faf h ALA 50 Cb 1.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1faf h ALA 50 CO 0.14 0.77 -0.07 -0.07 0.00 0.00 0.00 179.25 180.02 1faf h LEU 51 N 0.29 -0.17 -0.53 0.00 4.07 -1.92 0.62 115.31 117.67 1faf h LEU 51 Ca -0.04 -0.11 0.08 0.00 0.08 0.00 0.00 57.88 57.89 1faf h LEU 51 Cb 1.36 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 43.08 1faf h LEU 51 CO 0.13 0.01 0.16 -0.03 -1.08 0.00 0.00 178.44 177.63 1faf h MET 52 N -0.34 0.31 0.00 1.13 4.05 -1.64 -0.30 114.93 118.14 1faf h MET 52 Ca -0.02 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1faf h MET 52 Cb 0.27 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1faf h MET 52 CO 0.03 0.20 -0.29 -0.56 0.23 0.00 0.00 176.91 176.53 1faf h GLN 53 N 0.32 0.00 -0.12 0.39 3.07 -1.49 -2.89 115.11 114.39 1faf h GLN 53 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.98 1faf h GLN 53 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 1faf h GLN 53 CO -0.30 0.29 -0.02 1.49 0.09 0.00 0.00 178.83 180.38 1faf h GLU 54 N 0.00 0.23 -0.58 0.06 4.81 0.83 -2.26 114.58 117.66 1faf h GLU 54 Ca -0.00 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1faf h GLU 54 Cb 0.82 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1faf h GLU 54 CO 0.04 0.50 0.13 1.25 -0.73 0.00 0.00 179.01 180.20 1faf h LEU 55 N -0.07 0.86 -1.06 1.64 5.85 -1.28 -2.36 115.31 118.88 1faf h LEU 55 Ca 0.03 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1faf h LEU 55 Cb 0.41 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1faf h LEU 55 CO 0.01 0.84 0.15 -1.13 -0.34 0.00 0.00 178.44 177.97 1faf h ASN 56 N 0.87 0.76 0.43 1.25 -0.73 -1.43 0.37 115.58 117.10 1faf h ASN 56 Ca 0.19 -0.13 -0.11 0.00 1.87 0.00 0.00 56.30 58.12 1faf h ASN 56 Cb 0.33 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1faf h ASN 56 CO 0.00 0.73 -0.51 0.77 -0.37 0.00 0.00 177.43 178.05 1faf h SER 57 N 0.80 0.10 0.77 1.15 4.64 -1.00 0.55 113.55 120.55 1faf h SER 57 Ca 0.18 -0.05 -0.25 0.00 -0.47 0.00 0.00 61.79 61.20 1faf h SER 57 Cb 0.26 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1faf h SER 57 CO -0.01 0.59 -1.29 -0.07 -0.87 0.00 0.00 176.83 175.18 1faf h LEU 58 N 0.07 0.05 0.00 5.97 3.38 -0.90 -3.19 115.31 120.70 1faf h LEU 58 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1faf h LEU 58 Cb 0.93 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1faf h LEU 58 CO 0.07 1.06 -0.56 1.87 0.09 0.00 0.00 178.44 180.97 1faf n TRP 59 N -3.27 0.35 -0.00 1.13 -0.00 0.12 -3.27 117.44 112.50 1faf n TRP 59 Ca -0.07 0.10 -0.01 0.00 -0.00 0.00 0.00 57.50 57.51 1faf n TRP 59 Cb 0.99 -0.51 -0.01 0.00 -0.00 0.00 0.00 31.31 31.78 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 4.69 -0.07 0.56 5.87 0.00 0.06 -2.23 103.07 111.95 1faf h GLY 60 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1faf h GLY 60 CO 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 176.54 176.48 1faf h THR 61 N -0.70 0.79 -0.81 4.70 1.03 -1.74 -0.11 112.91 116.07 1faf h THR 61 Ca -0.01 -0.01 0.18 0.00 -0.01 0.00 0.00 66.41 66.56 1faf h THR 61 Cb 0.05 0.75 -0.15 0.00 -1.07 0.00 0.00 68.15 67.74 1faf h THR 61 CO 0.01 0.01 -0.11 0.15 -0.01 0.00 0.00 175.52 175.57 1faf h PHE 62 N 0.03 -0.27 -0.61 0.00 3.57 -1.70 1.05 116.94 119.02 1faf h PHE 62 Ca 0.12 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.74 1faf h PHE 62 Cb 0.17 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1faf h PHE 62 CO -0.22 -0.33 0.40 -0.22 -2.23 0.00 0.00 178.31 175.71 1faf h LYS 63 N 0.03 0.58 -1.05 1.11 3.64 -0.39 -0.60 116.57 119.90 1faf h LYS 63 Ca 0.42 -0.04 0.28 0.00 -1.27 0.00 0.00 60.65 60.04 1faf h LYS 63 Cb 0.71 -0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 1faf h LYS 63 CO -0.79 0.39 0.66 1.15 -2.27 0.00 0.00 179.45 178.58 1faf h THR 64 N 0.60 0.48 0.05 1.00 2.02 0.20 0.97 112.91 118.23 1faf h THR 64 Ca 0.26 -0.14 -0.27 0.00 0.77 0.00 0.00 66.41 67.03 1faf h THR 64 Cb 0.26 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1faf h THR 64 CO -0.08 0.08 -1.43 -0.33 0.37 0.00 0.00 175.52 174.13 1faf h GLU 65 N 0.42 0.10 -0.70 6.66 4.39 -1.13 -3.32 114.58 121.00 1faf h GLU 65 Ca 0.64 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 60.20 1faf h GLU 65 Cb 1.52 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.20 1faf h GLU 65 CO -0.38 0.90 0.46 0.28 -1.16 0.00 0.00 179.01 179.11 1faf h VAL 66 N 0.03 1.10 -0.36 3.13 2.07 0.17 0.51 116.25 122.91 1faf h VAL 66 Ca -0.19 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1faf h VAL 66 Cb 1.94 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1faf h VAL 66 CO 0.13 0.15 -0.09 1.88 0.02 0.00 0.00 177.57 179.67 1faf h TYR 67 N 0.85 0.65 0.00 1.57 -1.99 -0.47 -2.75 116.97 114.82 1faf h TYR 67 Ca 0.28 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1faf h TYR 67 Cb 0.06 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.62 1faf h TYR 67 CO -0.00 0.68 -0.82 0.27 -0.00 0.00 0.00 178.16 178.28 1faf n ASN 68 N -4.20 0.69 -0.22 3.88 0.23 -0.52 -4.05 115.26 111.05 1faf n ASN 68 Ca 0.01 0.05 -0.05 0.00 -0.53 0.00 0.00 54.58 54.06 1faf n ASN 68 Cb 0.32 0.42 0.11 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.97 0.00 -4.53 8.10 0.29 -1.57 115.31 118.57 1faf h LEU 69 Ca 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1faf h LEU 69 Cb 0.78 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1faf h LEU 69 CO 0.00 0.91 0.00 0.54 -4.11 0.00 0.00 178.44 175.78 1faf n ARG 70 N -4.26 0.59 -0.06 0.17 1.74 -1.22 -0.52 116.66 113.09 1faf n ARG 70 Ca 0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 1faf n ARG 70 Cb 0.22 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 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 -0.94 1.82 -0.01 5.56 2.81 -0.62 -3.79 117.12 121.95 1faf n MET 71 Ca 0.13 -0.01 0.11 0.00 -1.81 0.00 0.00 57.70 56.11 1faf n MET 71 Cb 0.06 -1.33 -0.15 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.45 0.33 -0.08 7.83 5.03 -1.00 -4.38 115.26 120.54 1faf n ASN 72 Ca -0.20 -0.28 -0.14 0.00 0.87 0.00 0.00 54.58 54.83 1faf n ASN 72 Cb 0.89 1.71 -0.05 0.00 -1.02 0.00 0.00 39.78 41.31 1faf n ASN 72 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1faf n LEU 73 N -2.04 1.69 0.00 3.41 7.94 0.32 -4.85 117.00 123.46 1faf n LEU 73 Ca -0.02 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1faf n LEU 73 Cb 0.50 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1faf n LEU 73 CO 0.45 -0.04 0.20 0.61 -1.11 0.00 0.00 177.39 177.50 1faf n GLY 74 N 1.77 -2.88 0.00 -3.96 0.00 -1.25 -5.01 105.19 93.87 1faf n GLY 74 Ca -0.24 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.48 0.25 3.66 -0.02 0.00 -1.26 -5.05 105.19 102.29 1faf n GLY 75 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1faf n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1faf s THR 76 N 0.00 3.42 -0.77 2.61 -1.32 -1.26 -4.90 115.64 113.42 1faf s THR 76 Ca 0.00 0.50 -0.02 0.00 -1.21 0.00 0.00 61.69 60.96 1faf s THR 76 Cb 0.00 -3.33 0.39 0.00 -1.51 0.00 0.00 72.50 68.05 1faf s THR 76 CO 0.00 -0.05 2.00 0.61 -2.21 0.00 0.00 174.62 174.97 1faf n GLY 77 N 4.30 5.67 1.66 6.08 0.00 -1.26 -4.66 105.19 116.97 1faf n GLY 77 Ca 0.18 -2.43 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 1faf n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1faf n PHE 78 N -0.68 1.55 1.46 1.61 7.35 -1.26 -5.37 117.46 122.13 1faf n PHE 78 Ca 0.57 -1.30 0.14 0.00 -0.76 0.00 0.00 57.45 56.10 1faf n PHE 78 Cb 0.40 -0.66 0.49 0.00 0.35 0.00 0.00 39.48 40.07 1faf n PHE 78 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04