#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 -0.62 -3.15 7.83 5.75 -1.26 -5.01 116.55 120.09 1faf n ASP 2 Ca 0.00 0.39 -0.21 0.00 -0.01 0.00 0.00 54.79 54.96 1faf n ASP 2 Cb 0.00 0.74 -0.05 0.00 -1.03 0.00 0.00 41.12 40.78 1faf n ASP 2 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1faf n ARG 3 N -3.17 0.78 -3.71 0.11 1.74 -1.26 -5.08 116.66 106.06 1faf n ARG 3 Ca 0.00 -3.11 -0.21 0.00 -0.77 0.00 0.00 57.85 53.76 1faf n ARG 3 Cb 0.00 -1.33 -0.18 0.00 -1.02 0.00 0.00 32.46 29.93 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1faf s VAL 4 N -1.28 0.09 0.17 1.55 -7.23 -1.26 -4.83 120.40 107.61 1faf s VAL 4 Ca 0.36 0.30 -0.25 0.00 -1.81 0.00 0.00 61.98 60.58 1faf s VAL 4 Cb 0.22 -0.30 -0.08 0.00 0.56 0.00 0.00 36.38 36.77 1faf s VAL 4 CO -0.11 0.21 0.78 -1.48 -0.31 0.00 0.00 175.10 174.19 1faf s LEU 5 N 2.07 4.58 0.00 1.32 2.34 -1.26 -5.07 118.68 122.66 1faf s LEU 5 Ca 0.05 1.64 -0.15 0.00 0.06 0.00 0.00 54.13 55.73 1faf s LEU 5 Cb -0.12 -3.34 0.21 0.00 -0.56 0.00 0.00 46.19 42.39 1faf s LEU 5 CO -0.04 0.19 1.04 -1.54 -1.06 0.00 0.00 176.35 174.94 1faf n SER 6 N 1.51 -0.69 -0.26 1.48 3.41 -1.26 -4.67 113.62 113.15 1faf n SER 6 Ca -0.05 -1.27 0.07 0.00 -0.26 0.00 0.00 58.87 57.36 1faf n SER 6 Cb 0.49 -0.85 0.32 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.81 -0.40 4.33 2.43 -1.99 -1.63 114.38 117.94 1faf h ARG 7 Ca -0.36 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.72 1faf h ARG 7 Cb 1.02 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1faf h ARG 7 CO 0.24 0.53 0.05 0.00 -1.51 0.00 0.00 179.97 179.29 1faf h ALA 8 N 1.57 0.53 0.69 2.80 0.00 -1.97 -0.39 119.26 122.48 1faf h ALA 8 Ca 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1faf h ALA 8 Cb 0.40 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1faf h ALA 8 CO -0.16 0.26 -0.33 -0.44 0.00 0.00 0.00 179.25 178.58 1faf h ASP 9 N 0.51 -0.79 -0.41 0.00 3.32 -1.68 0.15 116.42 117.52 1faf h ASP 9 Ca 0.12 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1faf h ASP 9 Cb 0.39 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1faf h ASP 9 CO 0.01 -0.46 0.28 0.07 -1.72 0.00 0.00 179.24 177.42 1faf h LYS 10 N -1.10 0.34 -0.09 3.56 2.10 -1.39 0.51 116.57 120.51 1faf h LYS 10 Ca -0.09 -0.02 -0.15 0.00 -2.00 0.00 0.00 60.65 58.39 1faf h LYS 10 Cb 0.74 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 1faf h LYS 10 CO 0.16 0.23 -0.59 0.93 -2.00 0.00 0.00 179.45 178.18 1faf h GLU 11 N 0.35 0.30 -0.05 0.07 4.39 -0.90 -2.85 114.58 115.88 1faf h GLU 11 Ca 0.18 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1faf h GLU 11 Cb 0.25 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1faf h GLU 11 CO -0.04 0.80 -0.48 -0.09 -1.16 0.00 0.00 179.01 178.03 1faf h ARG 12 N 0.22 0.13 -0.47 2.33 9.65 0.14 -2.74 114.38 123.65 1faf h ARG 12 Ca -0.00 -0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.72 1faf h ARG 12 Cb 1.09 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 1faf h ARG 12 CO 0.09 0.59 -0.04 1.25 2.80 0.00 0.00 179.97 184.66 1faf h LEU 13 N 0.11 0.78 -0.61 3.80 5.85 -0.99 -2.81 115.31 121.45 1faf h LEU 13 Ca 0.00 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 1faf h LEU 13 Cb 0.89 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1faf h LEU 13 CO 0.07 0.87 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.89 1faf h LEU 14 N 0.74 1.01 -0.07 2.25 3.38 -1.32 -1.84 115.31 119.47 1faf h LEU 14 Ca 0.14 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1faf h LEU 14 Cb 0.51 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1faf h LEU 14 CO 0.03 1.11 -0.20 -0.33 0.09 0.00 0.00 178.44 179.13 1faf h GLU 15 N 0.91 -0.28 0.00 1.13 4.39 -1.23 0.40 114.58 119.90 1faf h GLU 15 Ca 0.15 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1faf h GLU 15 Cb 0.64 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1faf h GLU 15 CO 0.04 -0.19 0.00 1.28 -1.16 0.00 0.00 179.01 178.99 1faf n LEU 16 N -5.34 0.33 0.03 1.33 4.77 -1.16 -2.62 117.00 114.34 1faf n LEU 16 Ca -0.04 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1faf n LEU 16 Cb 0.25 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 41.02 1faf n LEU 16 CO 0.21 -0.27 0.32 0.18 -1.33 0.00 0.00 177.39 176.50 1faf n LEU 17 N -1.84 0.61 -1.52 2.23 7.99 -0.05 -4.79 117.00 119.63 1faf n LEU 17 Ca 0.04 0.09 -0.15 0.00 -0.01 0.00 0.00 56.01 55.98 1faf n LEU 17 Cb 0.27 -0.19 -0.06 0.00 -0.11 0.00 0.00 43.42 43.33 1faf n LEU 17 CO 0.21 0.04 -0.14 0.29 -1.51 0.00 0.00 177.39 176.27 1faf n LYS 18 N -1.84 -1.39 -3.70 3.23 4.01 -0.19 -4.71 118.16 113.57 1faf n LYS 18 Ca 0.04 0.86 -0.38 0.00 -0.51 0.00 0.00 58.31 58.31 1faf n LYS 18 Cb 0.40 -5.16 -0.12 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 -4.11 4.20 1.07 -0.35 0.20 -1.20 -5.09 118.68 113.40 1faf s LEU 19 Ca 0.00 -0.83 -0.21 0.00 0.69 0.00 0.00 54.13 53.78 1faf s LEU 19 Cb 0.00 -1.93 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1faf s LEU 19 CO 0.00 -0.27 -0.42 -2.65 -0.29 0.00 0.00 176.35 172.72 1faf n PRO 20 N 4.91 -1.00 0.00 0.98 -0.02 -1.26 -4.79 135.00 133.81 1faf n PRO 20 Ca -0.13 -0.28 0.14 0.00 -2.02 0.00 0.00 63.50 61.21 1faf n PRO 20 Cb 0.47 -1.49 0.51 0.00 -0.02 0.00 0.00 33.50 32.97 1faf n PRO 20 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1faf n ARG 21 N -0.61 1.13 0.04 -0.52 0.63 -1.26 -3.81 116.66 112.26 1faf n ARG 21 Ca 0.00 -0.59 -0.04 0.00 -0.92 0.00 0.00 57.85 56.30 1faf n ARG 21 Cb 0.65 -1.49 -0.09 0.00 0.45 0.00 0.00 32.46 31.98 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1faf h GLN 22 N 1.44 0.00 -0.35 -0.14 4.15 -2.05 -3.32 115.11 114.84 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 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1faf h GLN 22 CO 0.00 0.59 0.00 1.47 -1.93 0.00 0.00 178.83 178.96 1faf n LEU 23 N -3.12 3.83 0.32 -2.39 -0.00 -1.25 -4.62 117.00 109.76 1faf n LEU 23 Ca -0.07 -2.64 0.14 0.00 -0.00 0.00 0.00 56.01 53.43 1faf n LEU 23 Cb 0.91 -0.47 0.70 0.00 -0.00 0.00 0.00 43.42 44.56 1faf n LEU 23 CO 0.44 0.71 1.11 -0.25 -0.00 0.00 0.00 177.39 179.40 1faf h TRP 24 N 2.29 0.00 0.00 1.47 2.91 -1.66 0.60 115.95 121.55 1faf h TRP 24 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1faf h TRP 24 Cb 1.27 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.92 1faf h TRP 24 CO 0.49 0.00 -0.19 0.41 -1.03 0.00 0.00 178.44 178.12 1faf n GLY 25 N -1.28 -1.47 3.66 2.65 0.00 -1.26 -4.79 105.19 102.69 1faf n GLY 25 Ca -0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.41 6.94 -0.04 1.61 2.15 0.21 -4.94 116.67 119.19 1faf s ASP 26 Ca 0.12 1.17 -0.22 0.00 0.43 0.00 0.00 52.55 54.05 1faf s ASP 26 Cb 0.17 -2.47 -0.28 0.00 -0.30 0.00 0.00 42.92 40.04 1faf s ASP 26 CO 0.60 -0.52 0.95 0.15 -0.17 0.00 0.00 175.17 176.19 1faf h PHE 27 N 7.51 0.49 -0.20 -5.34 3.57 -1.87 -2.97 116.94 118.13 1faf h PHE 27 Ca -0.24 -0.32 0.01 0.00 3.53 0.00 0.00 57.97 60.95 1faf h PHE 27 Cb 1.10 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1faf h PHE 27 CO 0.74 1.20 0.14 0.78 -2.23 0.00 0.00 178.31 178.94 1faf h GLY 28 N -0.36 0.25 0.34 2.40 0.00 -1.97 -2.36 103.07 101.36 1faf h GLY 28 Ca -0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1faf h GLY 28 CO 0.12 0.09 -0.24 3.21 0.00 0.00 0.00 176.54 179.72 1faf h ARG 29 N 0.24 0.13 0.11 4.80 2.47 -1.93 -2.84 114.38 117.34 1faf h ARG 29 Ca 0.08 -0.16 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1faf h ARG 29 Cb 0.03 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1faf h ARG 29 CO -0.02 0.98 -0.21 0.00 0.56 0.00 0.00 179.97 181.28 1faf h MET 30 N -0.65 -0.37 -0.44 0.04 -0.00 -1.34 -1.71 114.93 110.45 1faf h MET 30 Ca -0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1faf h MET 30 Cb 1.08 0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.74 1faf h MET 30 CO 0.05 -0.25 0.23 0.37 -0.00 0.00 0.00 176.91 177.31 1faf h GLN 31 N -0.39 0.60 -0.52 -0.10 4.15 -1.58 -0.77 115.11 116.50 1faf h GLN 31 Ca 0.03 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.41 1faf h GLN 31 Cb 0.41 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1faf h GLN 31 CO -0.12 0.46 0.33 0.37 -1.93 0.00 0.00 178.83 177.94 1faf h GLN 32 N 0.61 0.64 -0.17 1.69 4.15 -1.13 -2.13 115.11 118.78 1faf h GLN 32 Ca 0.16 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.36 1faf h GLN 32 Cb 0.04 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 1faf h GLN 32 CO -0.02 0.42 -0.61 0.00 -1.93 0.00 0.00 178.83 176.68 1faf h ALA 33 N 1.22 0.61 -0.79 3.38 0.00 -0.77 -1.34 119.26 121.56 1faf h ALA 33 Ca 0.20 -0.54 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1faf h ALA 33 Cb -0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1faf h ALA 33 CO -0.07 0.70 0.43 -0.92 0.00 0.00 0.00 179.25 179.39 1faf h TYR 34 N 0.43 0.77 0.09 0.00 5.03 -0.70 0.48 116.97 123.06 1faf h TYR 34 Ca -0.01 0.03 -0.26 0.00 2.58 0.00 0.00 58.73 61.08 1faf h TYR 34 Cb 1.18 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 1faf h TYR 34 CO 0.05 0.28 -1.19 0.87 -1.32 0.00 0.00 178.16 176.86 1faf h LYS 35 N 0.70 0.19 -0.36 1.82 1.57 -1.35 -1.96 116.57 117.17 1faf h LYS 35 Ca 0.39 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1faf h LYS 35 Cb 0.41 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1faf h LYS 35 CO -0.27 1.14 -0.16 0.37 -0.57 0.00 0.00 179.45 179.96 1faf h GLN 36 N 0.05 0.66 0.00 3.15 -0.00 -0.32 -2.84 115.11 115.82 1faf h GLN 36 Ca -0.10 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.65 58.29 1faf h GLN 36 Cb 1.91 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 29.34 1faf h GLN 36 CO 0.18 0.79 -0.80 1.96 0.00 0.00 0.00 178.83 180.97 1faf h GLN 37 N 0.60 0.00 0.00 1.69 1.08 -0.15 -3.31 115.11 115.02 1faf h GLN 37 Ca 0.10 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1faf h GLN 37 Cb 0.61 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1faf h GLN 37 CO 0.04 0.06 -0.30 0.66 -0.95 0.00 0.00 178.83 178.34 1faf h SER 38 N 0.00 0.00 0.34 1.46 4.64 -1.12 -1.64 113.55 117.23 1faf h SER 38 Ca -0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1faf h SER 38 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1faf h SER 38 CO 0.01 0.30 -0.70 -0.07 -0.87 0.00 0.00 176.83 175.50 1faf h LEU 39 N 0.00 0.38 0.00 5.97 3.38 -1.61 -0.91 115.31 122.51 1faf h LEU 39 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1faf h LEU 39 Cb 0.60 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1faf h LEU 39 CO 0.04 0.96 -0.39 0.17 0.09 0.00 0.00 178.44 179.31 1faf h LEU 40 N 0.22 0.00 0.00 1.67 8.10 -1.63 -3.23 115.31 120.44 1faf h LEU 40 Ca -0.02 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 57.86 1faf h LEU 40 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 1faf h LEU 40 CO 0.11 0.05 -1.11 0.18 -4.11 0.00 0.00 178.44 173.57 1faf n LEU 41 N -2.29 0.61 -4.75 0.17 4.77 -0.65 -3.87 117.00 110.99 1faf n LEU 41 Ca 0.04 -0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.55 1faf n LEU 41 Cb 0.45 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1faf n LEU 41 CO 0.34 0.07 0.96 -2.28 -1.33 0.00 0.00 177.39 175.16 1faf s HIS 42 N -3.19 2.28 -1.09 -1.77 2.46 -0.36 -3.06 115.29 110.55 1faf s HIS 42 Ca 0.03 1.41 0.12 0.00 0.47 0.00 0.00 55.06 57.09 1faf s HIS 42 Cb 0.15 -3.75 0.52 0.00 -0.13 0.00 0.00 32.58 29.36 1faf s HIS 42 CO 0.82 -2.81 1.35 -0.35 -2.47 0.00 0.00 174.74 171.28 1faf n PRO 43 N -1.18 0.04 0.06 2.88 -0.04 -1.26 -1.23 135.00 134.27 1faf n PRO 43 Ca 0.11 0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.89 1faf n PRO 43 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1faf n PRO 43 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1faf h ASP 44 N 0.00 0.00 -0.91 3.54 5.19 -1.90 -3.34 116.42 119.00 1faf h ASP 44 Ca 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 1faf h ASP 44 Cb 0.18 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 39.41 1faf h ASP 44 CO 0.00 0.37 0.57 0.29 -3.12 0.00 0.00 179.24 177.35 1faf n LYS 45 N -2.83 2.24 -1.79 3.56 4.01 -0.94 -4.87 118.16 117.54 1faf n LYS 45 Ca -0.06 -3.07 -0.16 0.00 -0.51 0.00 0.00 58.31 54.51 1faf n LYS 45 Cb 0.74 -2.14 -0.05 0.00 -0.51 0.00 0.00 35.03 33.07 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 -1.12 0.91 3.96 0.72 0.00 -1.24 -4.89 105.19 103.53 1faf n GLY 46 Ca 0.57 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.61 1.78 0.15 -0.02 0.00 -0.36 -5.02 107.32 101.23 1faf s GLY 47 Ca 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 44.72 43.36 1faf s GLY 47 CO 0.00 -0.92 0.55 -0.56 0.00 0.00 0.00 173.10 172.16 1faf s SER 48 N -4.42 6.81 0.01 1.64 0.01 -1.17 -4.26 113.70 112.31 1faf s SER 48 Ca 0.57 1.06 -0.17 0.00 1.31 0.00 0.00 55.95 58.73 1faf s SER 48 Cb -0.10 -2.28 -0.35 0.00 0.21 0.00 0.00 66.02 63.50 1faf s SER 48 CO 0.40 0.09 0.95 1.12 0.41 0.00 0.00 173.24 176.21 1faf h HIS 49 N 3.49 0.89 -0.88 2.43 2.07 -1.94 -3.25 115.15 117.96 1faf h HIS 49 Ca -0.48 -0.65 0.12 0.00 -2.85 0.00 0.00 60.37 56.50 1faf h HIS 49 Cb 1.19 -0.04 -0.07 0.00 2.57 0.00 0.00 27.41 31.07 1faf h HIS 49 CO 0.65 1.53 0.57 0.00 -3.07 0.00 0.00 177.93 177.61 1faf h ALA 50 N 0.13 1.73 0.10 6.11 0.00 -1.94 -2.36 119.26 123.03 1faf h ALA 50 Ca -0.25 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1faf h ALA 50 Cb 2.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1faf h ALA 50 CO 0.25 0.06 -0.05 -0.07 0.00 0.00 0.00 179.25 179.44 1faf h LEU 51 N 0.79 -0.12 -1.83 0.00 4.07 -1.93 -2.47 115.31 113.82 1faf h LEU 51 Ca 0.43 -0.29 0.20 0.00 0.08 0.00 0.00 57.88 58.30 1faf h LEU 51 Cb 0.55 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.28 1faf h LEU 51 CO -0.19 0.24 0.54 0.24 -1.08 0.00 0.00 178.44 178.19 1faf h MET 52 N -0.49 0.15 -0.06 1.13 2.86 -1.47 0.11 114.93 117.16 1faf h MET 52 Ca -0.01 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.38 1faf h MET 52 Cb 0.40 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.04 1faf h MET 52 CO 0.02 0.10 -0.90 1.96 1.06 0.00 0.00 176.91 179.15 1faf h GLN 53 N 0.15 0.62 -0.53 1.72 1.08 -1.31 -2.88 115.11 113.96 1faf h GLN 53 Ca 0.38 -0.59 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 1faf h GLN 53 Cb 1.27 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.83 1faf h GLN 53 CO -0.06 1.20 0.12 1.49 -0.95 0.00 0.00 178.83 180.63 1faf h GLU 54 N 0.38 0.81 -0.18 1.46 4.22 -0.35 -2.65 114.58 118.26 1faf h GLU 54 Ca -0.08 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 59.15 1faf h GLU 54 Cb 1.53 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1faf h GLU 54 CO 0.17 0.73 -0.05 1.25 -2.18 0.00 0.00 179.01 178.94 1faf h LEU 55 N 0.78 0.35 -2.52 1.64 5.85 -1.31 -2.73 115.31 117.37 1faf h LEU 55 Ca 0.17 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1faf h LEU 55 Cb 0.30 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1faf h LEU 55 CO -0.00 0.64 0.03 0.78 -0.34 0.00 0.00 178.44 179.55 1faf h ASN 56 N 0.05 0.00 0.23 1.25 2.35 -1.33 -0.43 115.58 117.70 1faf h ASN 56 Ca 0.04 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.49 1faf h ASN 56 Cb 0.49 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.89 1faf h ASN 56 CO 0.02 0.00 -1.29 -1.28 -1.65 0.00 0.00 177.43 173.23 1faf h SER 57 N 0.00 0.81 1.06 5.81 0.87 -1.22 -1.76 113.55 119.11 1faf h SER 57 Ca 0.01 -0.78 -0.16 0.00 -1.23 0.00 0.00 61.79 59.63 1faf h SER 57 Cb 0.06 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1faf h SER 57 CO -0.00 1.59 -0.76 -0.07 -0.53 0.00 0.00 176.83 177.06 1faf h LEU 58 N 0.22 0.00 0.00 2.23 3.38 -1.06 -2.97 115.31 117.11 1faf h LEU 58 Ca -0.19 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1faf h LEU 58 Cb 1.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 1faf h LEU 58 CO 0.24 0.76 -0.83 -0.25 0.09 0.00 0.00 178.44 178.46 1faf h TRP 59 N 0.00 0.00 0.39 1.13 2.91 -1.19 -2.95 115.95 116.24 1faf h TRP 59 Ca -0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1faf h TRP 59 Cb 1.50 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.15 1faf h TRP 59 CO 0.00 0.54 -0.19 0.78 -1.03 0.00 0.00 178.44 178.54 1faf h GLY 60 N 3.55 -0.55 0.20 2.65 0.00 -1.30 0.29 103.07 107.91 1faf h GLY 60 Ca -0.06 0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.56 1faf h GLY 60 CO 0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 176.54 176.33 1faf h THR 61 N -0.98 0.61 -0.60 4.70 1.03 -1.69 0.29 112.91 116.27 1faf h THR 61 Ca -0.05 -0.01 0.12 0.00 -0.01 0.00 0.00 66.41 66.45 1faf h THR 61 Cb 0.40 0.56 -0.12 0.00 -1.07 0.00 0.00 68.15 67.93 1faf h THR 61 CO 0.09 0.01 -0.21 0.15 -0.01 0.00 0.00 175.52 175.54 1faf h PHE 62 N 0.04 -0.52 -0.29 0.00 3.57 -1.57 0.54 116.94 118.71 1faf h PHE 62 Ca 0.21 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1faf h PHE 62 Cb 0.32 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1faf h PHE 62 CO -0.34 -0.31 0.18 0.87 -2.23 0.00 0.00 178.31 176.48 1faf h LYS 63 N -0.06 0.38 -1.03 1.11 1.57 0.29 -1.14 116.57 117.69 1faf h LYS 63 Ca 0.28 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.29 1faf h LYS 63 Cb 0.50 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.62 1faf h LYS 63 CO -0.65 0.26 0.65 1.15 -0.57 0.00 0.00 179.45 180.29 1faf h THR 64 N 0.39 0.54 0.02 -0.16 2.02 0.32 0.85 112.91 116.89 1faf h THR 64 Ca 0.11 -0.16 -0.26 0.00 0.77 0.00 0.00 66.41 66.86 1faf h THR 64 Cb -0.03 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.39 1faf h THR 64 CO -0.02 0.08 -1.43 -0.33 0.37 0.00 0.00 175.52 174.20 1faf h GLU 65 N 0.46 0.04 -0.60 6.66 4.39 -1.17 -3.32 114.58 121.04 1faf h GLU 65 Ca 0.60 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.25 1faf h GLU 65 Cb 1.39 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.04 1faf h GLU 65 CO -0.34 0.78 0.40 0.28 -1.16 0.00 0.00 179.01 178.97 1faf h VAL 66 N 0.01 1.14 -0.46 3.13 2.07 0.15 0.87 116.25 123.16 1faf h VAL 66 Ca -0.18 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1faf h VAL 66 Cb 1.92 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1faf h VAL 66 CO 0.11 0.15 -0.19 1.88 0.02 0.00 0.00 177.57 179.54 1faf h TYR 67 N 0.80 1.03 0.00 1.57 -1.99 -0.54 -3.01 116.97 114.82 1faf h TYR 67 Ca 0.22 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1faf h TYR 67 Cb -0.07 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.42 1faf h TYR 67 CO -0.00 1.01 -0.69 0.27 -0.00 0.00 0.00 178.16 178.75 1faf n ASN 68 N -4.12 0.68 -0.35 3.88 0.23 -0.80 -4.03 115.26 110.76 1faf n ASN 68 Ca 0.01 0.07 0.01 0.00 -0.53 0.00 0.00 54.58 54.14 1faf n ASN 68 Cb 0.43 0.26 0.17 0.00 -2.08 0.00 0.00 39.78 38.56 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 1.05 0.00 -4.53 8.10 0.90 0.71 115.31 121.54 1faf h LEU 69 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1faf h LEU 69 Cb 0.74 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 1faf h LEU 69 CO 0.00 0.71 0.00 0.54 -4.11 0.00 0.00 178.44 175.58 1faf n ARG 70 N -4.45 0.68 -0.05 0.17 1.74 -1.25 -2.54 116.66 110.97 1faf n ARG 70 Ca 0.13 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 1faf n ARG 70 Cb 0.11 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.96 1.67 -2.99 5.56 2.81 0.17 -4.83 117.12 118.54 1faf n MET 71 Ca 0.15 -0.03 -0.44 0.00 -1.81 0.00 0.00 57.70 55.56 1faf n MET 71 Cb 0.07 -1.30 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 1faf n MET 71 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1faf s ASN 72 N -4.20 6.65 0.00 7.83 0.01 -0.73 -4.50 114.94 120.01 1faf s ASN 72 Ca -0.05 -2.14 0.00 0.00 -0.71 0.00 0.00 52.86 49.96 1faf s ASN 72 Cb 0.05 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1faf s ASN 72 CO 0.49 -0.99 0.00 0.00 -1.51 0.00 0.00 177.10 175.09 1faf n LEU 73 N 6.15 0.00 0.00 0.60 -0.00 -1.26 -4.96 117.00 117.53 1faf n LEU 73 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 1faf n LEU 73 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1faf n LEU 73 CO 0.48 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.48 1faf n GLY 74 N 1.08 4.39 0.00 1.47 0.00 -1.26 -5.06 105.19 105.81 1faf n GLY 74 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 1.50 3.62 -0.02 0.00 -1.26 -5.01 105.19 104.02 1faf n GLY 75 Ca 0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 3.84 0.03 2.61 -4.23 -1.26 -4.90 115.64 111.73 1faf s THR 76 Ca 0.00 0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 61.25 1faf s THR 76 Cb 0.00 -3.92 -0.21 0.00 1.34 0.00 0.00 72.50 69.72 1faf s THR 76 CO 0.00 -0.43 1.17 1.23 -0.54 0.00 0.00 174.62 176.04 1faf h GLY 77 N 11.73 0.53 -7.25 3.99 0.00 -2.02 -3.40 103.07 106.65 1faf h GLY 77 Ca -0.30 -0.84 -0.65 0.00 0.00 0.00 0.00 47.33 45.53 1faf h GLY 77 CO 1.03 0.75 0.48 -0.12 0.00 0.00 0.00 176.54 178.68 1faf s PHE 78 N -3.44 2.79 -2.00 5.60 2.19 -1.26 -5.25 117.98 116.60 1faf s PHE 78 Ca -0.13 -0.73 0.05 0.00 0.33 0.00 0.00 56.93 56.46 1faf s PHE 78 Cb 0.05 -4.24 0.32 0.00 -1.31 0.00 0.00 43.02 37.84 1faf s PHE 78 CO 0.83 -1.56 0.79 0.94 1.83 0.00 0.00 175.22 178.05