#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 6.51 -0.54 7.83 2.15 -1.26 -4.94 116.67 126.42 1faf s ASP 2 Ca 0.00 2.59 0.06 0.00 0.43 0.00 0.00 52.55 55.63 1faf s ASP 2 Cb 0.00 -2.55 0.21 0.00 -0.30 0.00 0.00 42.92 40.28 1faf s ASP 2 CO 0.00 -0.97 0.54 0.54 -0.17 0.00 0.00 175.17 175.11 1faf n ARG 3 N 6.31 1.41 -5.19 4.34 5.12 -1.26 -5.08 116.66 122.31 1faf n ARG 3 Ca 0.18 -3.94 -0.32 0.00 -1.93 0.00 0.00 57.85 51.83 1faf n ARG 3 Cb 0.40 -1.88 -0.16 0.00 -1.16 0.00 0.00 32.46 29.66 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1faf s VAL 4 N -1.37 2.18 0.19 1.55 -7.23 -1.26 -4.81 120.40 109.66 1faf s VAL 4 Ca 0.34 -1.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.38 1faf s VAL 4 Cb 0.09 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.14 1faf s VAL 4 CO -0.11 0.56 0.57 -1.48 -0.31 0.00 0.00 175.10 174.33 1faf s LEU 5 N 0.02 4.25 0.00 1.32 2.34 -1.26 -5.10 118.68 120.25 1faf s LEU 5 Ca -0.09 1.04 -0.01 0.00 0.06 0.00 0.00 54.13 55.14 1faf s LEU 5 Cb -0.15 -3.49 0.05 0.00 -0.56 0.00 0.00 46.19 42.03 1faf s LEU 5 CO 0.05 0.01 0.31 -1.54 -1.06 0.00 0.00 176.35 174.12 1faf n SER 6 N 0.36 0.32 0.15 1.48 3.41 -1.26 -4.82 113.62 113.25 1faf n SER 6 Ca -0.02 -1.29 0.08 0.00 -0.26 0.00 0.00 58.87 57.38 1faf n SER 6 Cb 0.52 -0.21 0.58 0.00 -0.26 0.00 0.00 64.21 64.85 1faf n SER 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1faf h ARG 7 N 0.00 0.16 -0.22 4.33 -0.00 -1.99 -1.81 114.38 114.86 1faf h ARG 7 Ca -0.10 -0.01 -0.18 0.00 -0.00 0.00 0.00 59.98 59.69 1faf h ARG 7 Cb 0.35 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1faf h ARG 7 CO 0.10 0.11 -0.57 0.00 -0.00 0.00 0.00 179.97 179.60 1faf h ALA 8 N 1.89 0.58 0.64 0.08 0.00 -1.97 -1.19 119.26 119.29 1faf h ALA 8 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1faf h ALA 8 Cb 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1faf h ALA 8 CO -0.01 0.69 -0.31 -0.44 0.00 0.00 0.00 179.25 179.18 1faf h ASP 9 N 0.52 -0.73 -0.86 0.00 3.32 -1.69 0.13 116.42 117.11 1faf h ASP 9 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1faf h ASP 9 Cb 1.15 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1faf h ASP 9 CO 0.12 -0.34 0.57 0.07 -1.72 0.00 0.00 179.24 177.93 1faf h LYS 10 N -1.19 1.09 -0.69 3.56 5.09 -1.54 0.24 116.57 123.13 1faf h LYS 10 Ca -0.09 -0.07 -0.06 0.00 0.09 0.00 0.00 60.65 60.53 1faf h LYS 10 Cb 0.68 -0.25 -0.03 0.00 0.10 0.00 0.00 32.23 32.73 1faf h LYS 10 CO 0.14 0.72 0.22 1.49 -2.09 0.00 0.00 179.45 179.93 1faf h GLU 11 N 1.13 1.08 -0.42 0.07 4.81 -1.21 -1.13 114.58 118.90 1faf h GLU 11 Ca 0.32 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1faf h GLU 11 Cb -0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1faf h GLU 11 CO -0.08 0.93 -0.29 -0.09 -0.73 0.00 0.00 179.01 178.75 1faf h ARG 12 N 1.02 0.91 -0.28 1.92 9.65 0.37 -2.63 114.38 125.33 1faf h ARG 12 Ca 0.22 -0.42 -0.04 0.00 -1.10 0.00 0.00 59.98 58.64 1faf h ARG 12 Cb 0.30 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1faf h ARG 12 CO -0.01 1.08 0.01 1.25 2.80 0.00 0.00 179.97 185.10 1faf h LEU 13 N 0.77 0.39 -0.49 3.80 5.85 -0.25 -2.44 115.31 122.94 1faf h LEU 13 Ca 0.09 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 1faf h LEU 13 Cb 0.86 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1faf h LEU 13 CO 0.08 0.44 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.20 1faf h LEU 14 N 0.41 0.90 -0.50 2.25 3.38 -0.96 -1.98 115.31 118.81 1faf h LEU 14 Ca 0.09 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.73 1faf h LEU 14 Cb 0.26 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1faf h LEU 14 CO 0.01 1.16 0.19 -0.33 0.09 0.00 0.00 178.44 179.56 1faf h GLU 15 N 0.71 0.37 0.00 1.13 4.39 -1.08 0.70 114.58 120.80 1faf h GLU 15 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1faf h GLU 15 Cb 0.92 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1faf h GLU 15 CO 0.08 0.24 0.00 -0.07 -1.16 0.00 0.00 179.01 178.11 1faf h LEU 16 N 0.38 0.00 -0.04 1.33 3.38 -1.47 -3.00 115.31 115.88 1faf h LEU 16 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1faf h LEU 16 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1faf h LEU 16 CO -0.23 0.00 -0.49 0.18 0.09 0.00 0.00 178.44 177.99 1faf n LEU 17 N -2.45 0.56 -1.43 1.67 7.99 0.05 -4.80 117.00 118.59 1faf n LEU 17 Ca 0.04 -0.04 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 1faf n LEU 17 Cb 0.37 -0.23 -0.06 0.00 -0.11 0.00 0.00 43.42 43.39 1faf n LEU 17 CO 0.27 0.14 -0.14 0.29 -1.51 0.00 0.00 177.39 176.44 1faf n LYS 18 N -1.42 -1.33 -3.79 3.23 5.02 -0.10 -4.73 118.16 115.04 1faf n LYS 18 Ca 0.06 0.83 -0.37 0.00 -2.02 0.00 0.00 58.31 56.81 1faf n LYS 18 Cb 0.34 -5.10 -0.13 0.00 -0.02 0.00 0.00 35.03 30.12 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 -3.91 4.17 1.04 -0.35 0.20 -1.18 -5.08 118.68 113.56 1faf s LEU 19 Ca 0.00 -1.11 -0.21 0.00 0.69 0.00 0.00 54.13 53.50 1faf s LEU 19 Cb 0.00 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 1faf s LEU 19 CO 0.00 -0.30 -0.58 -2.65 -0.29 0.00 0.00 176.35 172.53 1faf n PRO 20 N 4.78 -0.66 0.00 0.98 -0.02 -1.26 -4.77 135.00 134.05 1faf n PRO 20 Ca -0.13 -0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.30 1faf n PRO 20 Cb 0.45 -1.39 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 0.15 1.11 0.09 -0.52 1.74 -1.26 -3.87 116.66 114.09 1faf n ARG 21 Ca 0.00 -0.64 -0.11 0.00 -0.77 0.00 0.00 57.85 56.33 1faf n ARG 21 Cb 0.65 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 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 1.56 0.20 -0.62 5.56 4.15 -2.02 -3.22 115.11 120.73 1faf h GLN 22 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1faf h GLN 22 Cb 0.50 0.09 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 -3.57 4.00 -4.55 -2.39 -0.00 -1.25 -4.93 117.00 104.32 1faf n LEU 23 Ca -0.05 -2.16 -0.20 0.00 -0.00 0.00 0.00 56.01 53.59 1faf n LEU 23 Cb 0.91 -0.47 -0.09 0.00 -0.00 0.00 0.00 43.42 43.76 1faf n LEU 23 CO 0.50 0.88 1.57 1.87 -0.00 0.00 0.00 177.39 182.21 1faf n TRP 24 N 1.22 1.00 0.00 1.47 -0.00 -1.22 -2.56 117.44 117.35 1faf n TRP 24 Ca 0.22 0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.76 1faf n TRP 24 Cb 0.67 -2.27 0.00 0.00 -0.00 0.00 0.00 31.31 29.71 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 6.43 0.49 3.56 5.87 0.00 -1.26 -4.84 105.19 115.44 1faf n GLY 25 Ca 0.49 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 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 5.64 0.50 1.61 2.15 -1.06 -4.83 116.67 120.69 1faf s ASP 26 Ca 0.00 -0.48 0.25 0.00 0.43 0.00 0.00 52.55 52.75 1faf s ASP 26 Cb 0.00 -2.55 1.34 0.00 -0.30 0.00 0.00 42.92 41.40 1faf s ASP 26 CO 0.00 -2.22 1.91 0.15 -0.17 0.00 0.00 175.17 174.85 1faf h PHE 27 N 11.86 0.16 -0.35 -5.34 3.57 -1.96 -0.56 116.94 124.30 1faf h PHE 27 Ca -0.06 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.30 1faf h PHE 27 Cb 1.06 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1faf h PHE 27 CO 1.16 0.05 -0.34 0.78 -2.23 0.00 0.00 178.31 177.72 1faf h GLY 28 N 0.12 0.87 1.45 2.40 0.00 -2.00 -2.39 103.07 103.53 1faf h GLY 28 Ca 0.38 -0.84 -0.30 0.00 0.00 0.00 0.00 47.33 46.56 1faf h GLY 28 CO -0.05 0.76 -1.37 3.21 0.00 0.00 0.00 176.54 179.09 1faf h ARG 29 N 0.67 0.39 -0.16 4.80 3.08 -1.56 -2.94 114.38 118.65 1faf h ARG 29 Ca 0.07 -0.66 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 1faf h ARG 29 Cb 0.89 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1faf h ARG 29 CO 0.08 1.31 0.03 0.00 -1.07 0.00 0.00 179.97 180.32 1faf h MET 30 N 0.11 0.27 -0.68 0.04 -0.00 -1.28 -2.59 114.93 110.80 1faf h MET 30 Ca -0.19 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.70 59.39 1faf h MET 30 Cb 2.06 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 33.60 1faf h MET 30 CO 0.23 0.44 0.25 0.37 -0.00 0.00 0.00 176.91 178.20 1faf h GLN 31 N 0.06 1.01 -0.28 -0.10 4.15 -1.55 -0.09 115.11 118.31 1faf h GLN 31 Ca 0.05 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.32 1faf h GLN 31 Cb 0.30 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1faf h GLN 31 CO 0.00 0.84 0.19 0.37 -1.93 0.00 0.00 178.83 178.29 1faf h GLN 32 N 0.98 0.24 0.22 1.69 4.15 -1.36 -1.06 115.11 119.98 1faf h GLN 32 Ca 0.23 -0.01 -0.34 0.00 0.77 0.00 0.00 58.65 59.29 1faf h GLN 32 Cb 0.22 -0.05 0.02 0.00 0.21 0.00 0.00 27.48 27.88 1faf h GLN 32 CO -0.02 0.16 -1.58 0.00 -1.93 0.00 0.00 178.83 175.46 1faf h ALA 33 N 1.84 -0.01 -0.25 3.38 0.00 -0.95 -2.97 119.26 120.30 1faf h ALA 33 Ca 0.11 -0.99 0.03 0.00 0.00 0.00 0.00 54.91 54.07 1faf h ALA 33 Cb 0.15 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1faf h ALA 33 CO -0.02 0.83 0.04 -0.92 0.00 0.00 0.00 179.25 179.18 1faf h TYR 34 N 0.10 0.07 -0.66 0.00 5.03 -0.40 0.83 116.97 121.94 1faf h TYR 34 Ca -0.30 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 60.96 1faf h TYR 34 Cb 2.11 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 40.37 1faf h TYR 34 CO 0.12 0.02 0.14 0.87 -1.32 0.00 0.00 178.16 177.98 1faf h LYS 35 N 0.14 1.08 -0.15 1.82 1.57 -1.35 0.63 116.57 120.30 1faf h LYS 35 Ca 0.11 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1faf h LYS 35 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1faf h LYS 35 CO -0.15 0.98 0.09 1.96 -0.57 0.00 0.00 179.45 181.76 1faf h GLN 36 N 1.00 0.20 0.00 3.15 4.20 -1.25 -2.39 115.11 120.02 1faf h GLN 36 Ca 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1faf h GLN 36 Cb 0.40 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1faf h GLN 36 CO 0.01 0.16 0.00 1.96 -0.67 0.00 0.00 178.83 180.29 1faf h GLN 37 N 0.18 0.00 0.00 1.46 1.08 -0.73 -3.15 115.11 113.96 1faf h GLN 37 Ca 0.05 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1faf h GLN 37 Cb 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1faf h GLN 37 CO -0.01 0.00 -0.45 0.77 -0.95 0.00 0.00 178.83 178.18 1faf h SER 38 N 0.00 0.00 -0.41 1.46 0.02 0.74 -1.93 113.55 113.43 1faf h SER 38 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1faf h SER 38 Cb 0.90 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1faf h SER 38 CO 0.00 0.45 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.87 1faf h LEU 39 N 0.00 0.89 -0.00 5.07 3.38 -1.40 -2.68 115.31 120.57 1faf h LEU 39 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1faf h LEU 39 Cb 0.80 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1faf h LEU 39 CO 0.06 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1faf n LEU 40 N -4.21 0.10 -0.61 1.67 -0.00 -1.12 -2.94 117.00 109.89 1faf n LEU 40 Ca -0.01 0.51 0.13 0.00 -0.00 0.00 0.00 56.01 56.63 1faf n LEU 40 Cb 0.43 -0.48 0.26 0.00 -0.00 0.00 0.00 43.42 43.63 1faf n LEU 40 CO 0.45 -0.03 0.65 0.18 -0.00 0.00 0.00 177.39 178.64 1faf n LEU 41 N -1.59 2.03 -4.77 1.47 4.77 -0.74 -3.89 117.00 114.28 1faf n LEU 41 Ca 0.07 -0.68 -0.38 0.00 -0.03 0.00 0.00 56.01 54.98 1faf n LEU 41 Cb 0.34 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1faf n LEU 41 CO 0.27 0.35 0.65 -2.28 -1.33 0.00 0.00 177.39 175.05 1faf s HIS 42 N -2.17 3.83 -0.63 -1.77 2.46 -1.06 -4.01 115.29 111.95 1faf s HIS 42 Ca 0.29 1.85 0.12 0.00 0.47 0.00 0.00 55.06 57.79 1faf s HIS 42 Cb 0.20 -2.96 0.62 0.00 -0.13 0.00 0.00 32.58 30.32 1faf s HIS 42 CO 0.40 0.32 1.38 -0.35 -2.47 0.00 0.00 174.74 174.01 1faf n PRO 43 N 1.01 0.07 0.08 2.88 -0.04 -1.26 -0.42 135.00 137.34 1faf n PRO 43 Ca 0.00 0.52 0.05 0.00 -0.04 0.00 0.00 63.50 64.04 1faf n PRO 43 Cb 0.49 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.73 3.54 3.32 -1.92 -3.33 116.42 117.30 1faf h ASP 44 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1faf h ASP 44 Cb 0.06 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.42 1faf h ASP 44 CO 0.00 0.31 0.34 0.29 -1.72 0.00 0.00 179.24 178.46 1faf n LYS 45 N -2.85 2.63 -1.77 3.56 4.01 -0.62 -4.88 118.16 118.24 1faf n LYS 45 Ca -0.04 -3.07 -0.05 0.00 -0.51 0.00 0.00 58.31 54.65 1faf n LYS 45 Cb 0.70 -2.09 -0.01 0.00 -0.51 0.00 0.00 35.03 33.12 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 -0.82 0.36 3.92 0.72 0.00 -1.22 -4.89 105.19 103.27 1faf n GLY 46 Ca 0.46 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.85 1.46 0.36 -0.02 0.00 0.45 -4.98 107.32 101.74 1faf s GLY 47 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 44.72 44.02 1faf s GLY 47 CO 0.00 -0.50 0.65 -0.56 0.00 0.00 0.00 173.10 172.69 1faf s SER 48 N -4.10 6.42 -0.03 1.64 0.01 -1.26 -4.15 113.70 112.23 1faf s SER 48 Ca 0.46 0.83 -0.14 0.00 1.31 0.00 0.00 55.95 58.41 1faf s SER 48 Cb -0.10 -2.20 -0.32 0.00 0.21 0.00 0.00 66.02 63.61 1faf s SER 48 CO 0.42 -0.33 0.79 0.45 0.41 0.00 0.00 173.24 174.99 1faf h HIS 49 N 1.20 0.79 0.00 2.43 3.86 -1.98 -3.04 115.15 118.42 1faf h HIS 49 Ca -0.48 -0.57 -0.07 0.00 -1.16 0.00 0.00 60.37 58.09 1faf h HIS 49 Cb 1.20 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 1faf h HIS 49 CO 0.58 1.60 -0.34 0.00 0.86 0.00 0.00 177.93 180.63 1faf h ALA 50 N 0.11 1.29 0.04 2.45 0.00 -1.97 -3.12 119.26 118.06 1faf h ALA 50 Ca -0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1faf h ALA 50 Cb 2.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1faf h ALA 50 CO 0.20 0.43 -0.02 -0.07 0.00 0.00 0.00 179.25 179.79 1faf h LEU 51 N 0.00 -0.04 -1.91 0.00 3.38 -1.95 -2.81 115.31 111.98 1faf h LEU 51 Ca -0.00 -0.64 0.21 0.00 0.09 0.00 0.00 57.88 57.53 1faf h LEU 51 Cb 0.66 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1faf h LEU 51 CO 0.04 0.66 0.62 -0.03 0.09 0.00 0.00 178.44 179.83 1faf h MET 52 N -0.80 0.00 0.14 1.13 4.05 -1.51 0.21 114.93 118.14 1faf h MET 52 Ca -0.01 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.11 1faf h MET 52 Cb 0.68 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1faf h MET 52 CO 0.01 0.00 -1.49 1.96 0.23 0.00 0.00 176.91 177.62 1faf h GLN 53 N 0.00 0.30 0.41 0.39 1.08 -1.56 -2.92 115.11 112.81 1faf h GLN 53 Ca 0.34 -0.52 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 1faf h GLN 53 Cb 1.57 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 29.19 1faf h GLN 53 CO -0.00 1.20 -0.25 0.93 -0.95 0.00 0.00 178.83 179.76 1faf h GLU 54 N 0.08 -0.60 -0.57 1.46 4.39 -0.33 0.19 114.58 119.20 1faf h GLU 54 Ca -0.23 0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 1faf h GLU 54 Cb 2.04 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.80 1faf h GLU 54 CO 0.19 -0.40 0.01 1.25 -1.16 0.00 0.00 179.01 178.89 1faf h LEU 55 N -0.62 0.96 -0.40 1.33 5.85 -1.57 -1.50 115.31 119.34 1faf h LEU 55 Ca -0.05 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1faf h LEU 55 Cb 0.51 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1faf h LEU 55 CO 0.05 1.01 0.14 -1.13 -0.34 0.00 0.00 178.44 178.17 1faf h ASN 56 N 0.90 0.57 0.48 1.25 -0.73 -1.34 0.86 115.58 117.58 1faf h ASN 56 Ca 0.17 -0.18 -0.06 0.00 1.87 0.00 0.00 56.30 58.09 1faf h ASN 56 Cb 0.52 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 1faf h ASN 56 CO 0.03 0.60 -0.30 0.28 -0.37 0.00 0.00 177.43 177.66 1faf h SER 57 N 0.50 0.00 1.10 1.15 0.02 -0.50 0.72 113.55 116.54 1faf h SER 57 Ca 0.13 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 1faf h SER 57 Cb 0.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1faf h SER 57 CO -0.01 0.30 -0.91 -0.07 -1.14 0.00 0.00 176.83 175.00 1faf h LEU 58 N 0.00 0.00 0.00 5.07 3.38 -0.80 -3.13 115.31 119.84 1faf h LEU 58 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1faf h LEU 58 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1faf h LEU 58 CO 0.04 0.85 -1.04 -0.25 0.09 0.00 0.00 178.44 178.13 1faf h TRP 59 N 0.00 0.00 0.27 1.13 2.91 -0.49 -3.14 115.95 116.63 1faf h TRP 59 Ca -0.03 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 1faf h TRP 59 Cb 1.67 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.32 1faf h TRP 59 CO 0.00 0.42 -0.13 0.78 -1.03 0.00 0.00 178.44 178.49 1faf h GLY 60 N 3.72 -0.37 0.22 2.65 0.00 -0.91 0.30 103.07 108.69 1faf h GLY 60 Ca -0.08 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.49 1faf h GLY 60 CO 0.04 -0.14 0.15 0.00 0.00 0.00 0.00 176.54 176.59 1faf h THR 61 N -0.61 0.66 -0.41 4.70 1.03 -1.74 0.19 112.91 116.74 1faf h THR 61 Ca -0.04 -0.10 0.09 0.00 -0.01 0.00 0.00 66.41 66.35 1faf h THR 61 Cb 0.27 0.35 -0.09 0.00 -1.07 0.00 0.00 68.15 67.62 1faf h THR 61 CO 0.06 0.05 -0.21 0.15 -0.01 0.00 0.00 175.52 175.56 1faf h PHE 62 N 0.29 -0.53 -0.94 0.00 3.57 -1.61 0.57 116.94 118.28 1faf h PHE 62 Ca 0.31 0.05 0.16 0.00 3.53 0.00 0.00 57.97 62.02 1faf h PHE 62 Cb 0.46 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 39.39 1faf h PHE 62 CO -0.23 -0.29 0.55 -0.22 -2.23 0.00 0.00 178.31 175.89 1faf h LYS 63 N -0.13 0.72 -0.99 1.11 3.64 0.26 0.43 116.57 121.61 1faf h LYS 63 Ca 0.20 -0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.76 1faf h LYS 63 Cb 0.44 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 1faf h LYS 63 CO -0.49 0.48 0.63 1.15 -2.27 0.00 0.00 179.45 178.94 1faf h THR 64 N 0.74 0.63 0.03 1.00 2.02 0.31 0.63 112.91 118.27 1faf h THR 64 Ca 0.52 -0.19 -0.26 0.00 0.77 0.00 0.00 66.41 67.26 1faf h THR 64 Cb 0.74 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1faf h THR 64 CO -0.36 0.10 -1.34 -0.33 0.37 0.00 0.00 175.52 173.97 1faf h GLU 65 N 0.55 0.06 -0.44 6.66 4.39 -0.34 -3.34 114.58 122.12 1faf h GLU 65 Ca 0.57 -0.10 0.08 0.00 0.34 0.00 0.00 59.36 60.25 1faf h GLU 65 Cb 1.18 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 1faf h GLU 65 CO -0.32 0.87 -0.01 0.28 -1.16 0.00 0.00 179.01 178.67 1faf h VAL 66 N 0.02 0.65 -0.43 3.13 2.07 0.42 0.60 116.25 122.71 1faf h VAL 66 Ca -0.15 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.47 1faf h VAL 66 Cb 1.90 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1faf h VAL 66 CO 0.12 0.02 0.40 1.88 0.02 0.00 0.00 177.57 180.01 1faf h TYR 67 N 0.10 0.00 0.00 1.57 -1.99 -1.22 0.24 116.97 115.67 1faf h TYR 67 Ca 0.22 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.74 1faf h TYR 67 Cb 0.32 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.01 1faf h TYR 67 CO -0.30 0.00 -1.55 0.09 -0.00 0.00 0.00 178.16 176.40 1faf n ASN 68 N -3.92 0.79 0.01 3.88 3.02 0.13 -3.93 115.26 115.25 1faf n ASN 68 Ca 0.08 0.36 0.09 0.00 -0.03 0.00 0.00 54.58 55.08 1faf n ASN 68 Cb 0.59 0.20 0.40 0.00 -0.61 0.00 0.00 39.78 40.36 1faf n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1faf n LEU 69 N -2.90 0.06 0.00 3.41 -0.00 0.16 -3.02 117.00 114.71 1faf n LEU 69 Ca -0.13 0.51 0.06 0.00 -0.00 0.00 0.00 56.01 56.46 1faf n LEU 69 Cb 0.90 -0.50 0.37 0.00 -0.00 0.00 0.00 43.42 44.19 1faf n LEU 69 CO 0.43 -0.20 0.58 0.54 -0.00 0.00 0.00 177.39 178.74 1faf n ARG 70 N -1.56 0.43 -0.06 1.47 5.12 -0.90 -2.96 116.66 118.20 1faf n ARG 70 Ca 0.04 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.85 1faf n ARG 70 Cb 0.22 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.25 -2.62 5.56 2.81 -1.17 -5.01 117.12 115.98 1faf n MET 71 Ca 0.09 0.10 -0.40 0.00 -1.81 0.00 0.00 57.70 55.68 1faf n MET 71 Cb 0.04 -0.97 -0.05 0.00 -0.71 0.00 0.00 33.22 31.53 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 -5.79 7.46 -0.27 7.83 -0.87 -1.15 -4.95 114.94 117.19 1faf s ASN 72 Ca -0.15 2.08 0.09 0.00 -1.57 0.00 0.00 52.86 53.30 1faf s ASN 72 Cb 0.06 -2.61 0.66 0.00 -0.02 0.00 0.00 41.25 39.33 1faf s ASN 72 CO 0.21 -0.00 1.65 -0.11 -2.57 0.00 0.00 177.10 176.28 1faf n LEU 73 N 1.54 5.51 0.00 0.60 0.00 -1.26 -4.91 117.00 118.47 1faf n LEU 73 Ca -0.01 -2.85 0.00 0.00 0.00 0.00 0.00 56.01 53.15 1faf n LEU 73 Cb 0.46 -0.71 0.00 0.00 0.00 0.00 0.00 43.42 43.17 1faf n LEU 73 CO 0.52 0.72 0.00 0.61 0.00 0.00 0.00 177.39 179.24 1faf n GLY 74 N -0.00 3.15 0.00 -3.96 0.00 -1.26 -5.06 105.19 98.06 1faf n GLY 74 Ca 0.34 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.81 3.91 3.76 -0.02 0.00 -1.26 -5.15 105.19 104.61 1faf n GLY 75 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1faf n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1faf s THR 76 N 0.09 2.98 0.19 2.61 2.01 -1.26 -4.97 115.64 117.30 1faf s THR 76 Ca 0.00 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1faf s THR 76 Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1faf s THR 76 CO 0.00 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 1faf n GLY 77 N 0.14 -0.19 3.79 4.40 0.00 -1.26 -5.09 105.19 106.97 1faf n GLY 77 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.11 -2.58 1.61 5.36 -1.26 -5.15 117.98 117.07 1faf s PHE 78 Ca 0.00 1.60 0.27 0.00 -0.96 0.00 0.00 56.93 57.85 1faf s PHE 78 Cb 0.00 -3.13 0.92 0.00 -0.34 0.00 0.00 43.02 40.46 1faf s PHE 78 CO 0.00 -0.82 1.67 0.94 -1.46 0.00 0.00 175.22 175.55