#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 4.08 -4.12 6.12 2.03 -1.26 -4.79 116.55 118.61 1faf n ASP 2 Ca 0.00 -2.50 -0.37 0.00 0.52 0.00 0.00 54.79 52.44 1faf n ASP 2 Cb 0.00 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.85 1faf n ASP 2 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1faf s ARG 3 N -1.92 3.25 -0.05 -0.67 0.52 -1.26 -5.02 118.95 113.80 1faf s ARG 3 Ca 0.41 -3.17 0.00 0.00 -0.52 0.00 0.00 55.73 52.46 1faf s ARG 3 Cb 0.28 -3.97 0.02 0.00 0.52 0.00 0.00 34.95 31.80 1faf s ARG 3 CO 0.18 -1.25 -0.02 0.14 0.02 0.00 0.00 175.30 174.36 1faf s VAL 4 N -1.16 0.43 0.34 3.52 -7.23 -1.26 -4.71 120.40 110.32 1faf s VAL 4 Ca 0.26 -0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.23 1faf s VAL 4 Cb -0.09 -0.50 -0.10 0.00 0.56 0.00 0.00 36.38 36.25 1faf s VAL 4 CO -0.11 0.22 0.81 -1.48 -0.31 0.00 0.00 175.10 174.23 1faf s LEU 5 N 1.21 4.09 0.00 1.32 2.34 -1.26 -5.07 118.68 121.30 1faf s LEU 5 Ca -0.07 1.47 -0.03 0.00 0.06 0.00 0.00 54.13 55.56 1faf s LEU 5 Cb -0.14 -4.14 0.16 0.00 -0.56 0.00 0.00 46.19 41.51 1faf s LEU 5 CO -0.02 -0.21 1.03 -1.54 -1.06 0.00 0.00 176.35 174.56 1faf n SER 6 N -0.22 1.08 -0.24 1.48 3.41 -1.26 -4.77 113.62 113.11 1faf n SER 6 Ca 0.04 -1.99 0.16 0.00 -0.26 0.00 0.00 58.87 56.82 1faf n SER 6 Cb 0.53 -0.70 0.47 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.49 -0.49 4.33 2.43 -1.99 -0.01 114.38 119.13 1faf h ARG 7 Ca -0.34 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1faf h ARG 7 Cb 1.18 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1faf h ARG 7 CO 0.34 0.32 0.17 0.00 -1.51 0.00 0.00 179.97 179.28 1faf h ALA 8 N 1.62 0.65 0.29 2.80 0.00 -1.98 -1.24 119.26 121.39 1faf h ALA 8 Ca 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1faf h ALA 8 Cb 0.97 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1faf h ALA 8 CO -0.18 0.29 -0.14 -0.44 0.00 0.00 0.00 179.25 178.78 1faf h ASP 9 N 0.66 -0.33 -0.81 0.00 5.19 -1.41 -1.02 116.42 118.71 1faf h ASP 9 Ca 0.16 -0.21 0.11 0.00 -0.62 0.00 0.00 57.03 56.47 1faf h ASP 9 Cb 0.25 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 39.77 1faf h ASP 9 CO -0.01 0.11 0.44 0.07 -3.12 0.00 0.00 179.24 176.74 1faf h LYS 10 N -0.86 0.68 0.00 3.56 5.09 -1.23 0.52 116.57 124.32 1faf h LYS 10 Ca -0.04 -0.04 -0.07 0.00 0.09 0.00 0.00 60.65 60.59 1faf h LYS 10 Cb 0.52 -0.15 -0.01 0.00 0.10 0.00 0.00 32.23 32.68 1faf h LYS 10 CO 0.06 0.45 -0.32 0.93 -2.09 0.00 0.00 179.45 178.49 1faf h GLU 11 N 0.70 0.00 -0.04 0.07 4.39 -1.26 -2.34 114.58 116.10 1faf h GLU 11 Ca 0.41 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.07 1faf h GLU 11 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1faf h GLU 11 CO -0.29 0.32 -0.13 -0.09 -1.16 0.00 0.00 179.01 177.66 1faf h ARG 12 N 0.00 0.16 -0.36 2.33 2.43 0.12 -2.95 114.38 116.11 1faf h ARG 12 Ca -0.00 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1faf h ARG 12 Cb 0.63 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1faf h ARG 12 CO 0.04 0.74 0.24 1.25 -1.51 0.00 0.00 179.97 180.74 1faf h LEU 13 N -0.40 0.26 -0.49 3.80 5.85 -0.07 -1.67 115.31 122.59 1faf h LEU 13 Ca -0.01 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1faf h LEU 13 Cb 0.76 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1faf h LEU 13 CO 0.03 0.17 0.02 -0.07 -0.34 0.00 0.00 178.44 178.25 1faf h LEU 14 N 0.30 0.83 -1.22 2.25 3.38 -1.38 -0.52 115.31 118.94 1faf h LEU 14 Ca 0.15 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1faf h LEU 14 Cb 0.23 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1faf h LEU 14 CO -0.03 0.92 0.54 -0.33 0.09 0.00 0.00 178.44 179.63 1faf h GLU 15 N 0.71 0.98 0.00 1.13 5.08 -1.13 -0.29 114.58 121.06 1faf h GLU 15 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1faf h GLU 15 Cb 0.49 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1faf h GLU 15 CO 0.02 0.65 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.44 1faf h LEU 16 N 1.01 0.00 -0.41 1.33 4.07 -1.32 -3.22 115.31 116.78 1faf h LEU 16 Ca 0.33 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1faf h LEU 16 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1faf h LEU 16 CO -0.10 0.01 -0.30 0.18 -1.08 0.00 0.00 178.44 177.15 1faf n LEU 17 N -2.64 0.93 -1.43 1.67 7.99 -0.22 -4.80 117.00 118.49 1faf n LEU 17 Ca 0.04 -0.22 -0.16 0.00 -0.01 0.00 0.00 56.01 55.67 1faf n LEU 17 Cb 0.49 -0.14 -0.07 0.00 -0.11 0.00 0.00 43.42 43.58 1faf n LEU 17 CO 0.34 0.18 -0.15 0.29 -1.51 0.00 0.00 177.39 176.54 1faf n LYS 18 N -0.80 -1.37 -3.81 3.23 4.01 -0.58 -4.71 118.16 114.13 1faf n LYS 18 Ca 0.11 0.94 -0.37 0.00 -0.51 0.00 0.00 58.31 58.48 1faf n LYS 18 Cb 0.35 -5.23 -0.13 0.00 -0.51 0.00 0.00 35.03 29.51 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 -4.03 4.09 1.04 -0.35 0.20 -1.16 -5.08 118.68 113.39 1faf s LEU 19 Ca 0.00 -1.12 -0.22 0.00 0.69 0.00 0.00 54.13 53.48 1faf s LEU 19 Cb 0.00 -1.81 -0.05 0.00 -0.43 0.00 0.00 46.19 43.90 1faf s LEU 19 CO 0.00 -0.28 -0.67 -2.65 -0.29 0.00 0.00 176.35 172.45 1faf n PRO 20 N 4.75 -0.66 0.00 0.98 -0.02 -1.26 -4.68 135.00 134.11 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 -1.36 0.44 0.00 -0.02 0.00 0.00 33.50 33.01 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 0.30 1.20 0.05 -0.52 3.00 -1.26 -3.96 116.66 115.46 1faf n ARG 21 Ca -0.00 -0.70 -0.07 0.00 -0.01 0.00 0.00 57.85 57.07 1faf n ARG 21 Cb 0.66 -1.49 -0.11 0.00 0.00 0.00 0.00 32.46 31.52 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 1.71 0.00 -0.52 5.56 4.15 -2.05 -3.28 115.11 120.68 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 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1faf h GLN 22 CO 0.00 0.84 0.00 1.47 -1.93 0.00 0.00 178.83 179.21 1faf n LEU 23 N -3.26 4.20 -4.53 -2.39 -0.00 -1.25 -4.96 117.00 104.81 1faf n LEU 23 Ca -0.04 -2.43 -0.33 0.00 -0.00 0.00 0.00 56.01 53.21 1faf n LEU 23 Cb 0.95 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 43.79 1faf n LEU 23 CO 0.46 0.78 1.98 1.87 -0.00 0.00 0.00 177.39 182.48 1faf n TRP 24 N 0.74 1.05 0.00 1.47 -0.00 -1.24 -2.50 117.44 116.96 1faf n TRP 24 Ca 0.22 0.17 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 1faf n TRP 24 Cb 0.78 -2.41 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 6.22 0.38 3.56 5.87 0.00 -1.26 -4.92 105.19 115.04 1faf n GLY 25 Ca 0.49 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 5.82 0.46 1.61 -1.08 -1.04 -4.82 116.67 117.62 1faf s ASP 26 Ca 0.00 -0.88 0.22 0.00 -0.52 0.00 0.00 52.55 51.37 1faf s ASP 26 Cb 0.00 -2.56 1.22 0.00 -1.46 0.00 0.00 42.92 40.12 1faf s ASP 26 CO 0.00 -2.11 1.86 0.15 0.52 0.00 0.00 175.17 175.60 1faf h PHE 27 N 10.89 0.36 -0.32 -5.34 3.57 -1.95 0.59 116.94 124.74 1faf h PHE 27 Ca 0.07 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1faf h PHE 27 Cb 1.03 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1faf h PHE 27 CO 1.22 0.09 -0.21 0.78 -2.23 0.00 0.00 178.31 177.96 1faf h GLY 28 N 0.26 0.66 0.51 2.40 0.00 -1.99 -2.16 103.07 102.76 1faf h GLY 28 Ca 0.46 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 1faf h GLY 28 CO -0.13 0.49 -0.57 3.21 0.00 0.00 0.00 176.54 179.54 1faf h ARG 29 N 0.54 0.23 -0.28 4.80 3.08 -1.33 -2.86 114.38 118.56 1faf h ARG 29 Ca 0.08 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1faf h ARG 29 Cb 0.66 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1faf h ARG 29 CO 0.05 1.16 0.18 0.00 -1.07 0.00 0.00 179.97 180.28 1faf h MET 30 N -0.51 0.37 -0.36 0.04 -0.00 -1.33 0.20 114.93 113.33 1faf h MET 30 Ca -0.10 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.70 59.51 1faf h MET 30 Cb 1.43 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 32.93 1faf h MET 30 CO 0.11 0.26 -0.03 0.37 -0.00 0.00 0.00 176.91 177.62 1faf h GLN 31 N 0.36 0.58 -0.54 -0.10 4.15 -1.53 0.41 115.11 118.45 1faf h GLN 31 Ca 0.10 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 1faf h GLN 31 Cb -0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1faf h GLN 31 CO -0.02 0.63 0.06 0.37 -1.93 0.00 0.00 178.83 177.94 1faf h GLN 32 N 0.55 0.92 -0.16 1.69 5.75 -1.19 -2.75 115.11 119.92 1faf h GLN 32 Ca 0.11 -0.26 -0.19 0.00 -0.15 0.00 0.00 58.65 58.16 1faf h GLN 32 Cb 0.40 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.86 1faf h GLN 32 CO 0.02 0.91 -0.63 0.00 -2.65 0.00 0.00 178.83 176.48 1faf h ALA 33 N 0.98 0.29 -0.83 3.38 0.00 -0.53 -2.59 119.26 119.95 1faf h ALA 33 Ca 0.16 -0.55 0.18 0.00 0.00 0.00 0.00 54.91 54.71 1faf h ALA 33 Cb 0.45 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1faf h ALA 33 CO 0.02 0.56 0.33 -0.92 0.00 0.00 0.00 179.25 179.24 1faf h TYR 34 N 0.39 0.56 -0.03 0.00 5.03 -0.07 0.48 116.97 123.33 1faf h TYR 34 Ca -0.03 0.04 -0.22 0.00 2.58 0.00 0.00 58.73 61.10 1faf h TYR 34 Cb 1.26 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.42 1faf h TYR 34 CO 0.10 -0.00 -0.87 0.87 -1.32 0.00 0.00 178.16 176.93 1faf h LYS 35 N 0.41 0.45 -0.32 1.82 1.57 -1.50 0.48 116.57 119.48 1faf h LYS 35 Ca 0.49 -0.44 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1faf h LYS 35 Cb 0.85 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1faf h LYS 35 CO -0.48 1.09 -0.15 0.37 -0.57 0.00 0.00 179.45 179.71 1faf h GLN 36 N 0.28 0.56 0.00 3.15 4.15 -0.52 -2.66 115.11 120.07 1faf h GLN 36 Ca -0.07 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 1faf h GLN 36 Cb 1.49 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.13 1faf h GLN 36 CO 0.15 0.70 -0.96 1.96 -1.93 0.00 0.00 178.83 178.75 1faf h GLN 37 N 0.51 0.00 -0.05 1.69 1.08 -0.14 -3.33 115.11 114.87 1faf h GLN 37 Ca 0.09 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 1faf h GLN 37 Cb 0.56 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1faf h GLN 37 CO 0.04 0.04 -0.49 0.77 -0.95 0.00 0.00 178.83 178.23 1faf h SER 38 N 0.00 0.15 -0.31 1.46 0.02 -0.62 -0.30 113.55 113.94 1faf h SER 38 Ca -0.02 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.69 1faf h SER 38 Cb 1.07 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 1faf h SER 38 CO 0.01 0.62 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.75 1faf h LEU 39 N 0.11 0.98 0.00 5.07 3.38 -1.59 -2.77 115.31 120.49 1faf h LEU 39 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1faf h LEU 39 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1faf h LEU 39 CO 0.07 1.30 -0.27 0.00 0.09 0.00 0.00 178.44 179.63 1faf n LEU 40 N -4.02 0.44 -0.39 1.67 -0.00 -1.16 -3.39 117.00 110.15 1faf n LEU 40 Ca -0.04 0.32 0.13 0.00 -0.00 0.00 0.00 56.01 56.42 1faf n LEU 40 Cb 0.60 -0.33 0.28 0.00 -0.00 0.00 0.00 43.42 43.97 1faf n LEU 40 CO 0.50 -0.01 0.59 0.18 -0.00 0.00 0.00 177.39 178.64 1faf n LEU 41 N -1.78 1.48 -4.71 1.47 4.77 -0.13 -4.17 117.00 113.93 1faf n LEU 41 Ca 0.05 -0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 55.15 1faf n LEU 41 Cb 0.38 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1faf n LEU 41 CO 0.32 0.27 0.56 -2.28 -1.33 0.00 0.00 177.39 174.92 1faf s HIS 42 N -2.39 3.64 0.57 -1.77 2.46 -1.06 -4.07 115.29 112.66 1faf s HIS 42 Ca 0.25 1.51 0.37 0.00 0.47 0.00 0.00 55.06 57.67 1faf s HIS 42 Cb 0.19 -2.98 1.49 0.00 -0.13 0.00 0.00 32.58 31.15 1faf s HIS 42 CO 0.49 0.05 1.68 -1.35 -2.47 0.00 0.00 174.74 173.14 1faf h PRO 43 N 6.69 0.00 0.00 2.88 0.11 -1.82 0.73 132.00 140.59 1faf h PRO 43 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1faf h PRO 43 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1faf h PRO 43 CO 0.75 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.07 1faf n ASP 44 N -3.89 0.16 -0.82 -2.05 -0.08 -1.26 -2.98 116.55 105.63 1faf n ASP 44 Ca 0.27 0.53 0.01 0.00 -1.51 0.00 0.00 54.79 54.10 1faf n ASP 44 Cb 1.41 -0.57 0.18 0.00 2.34 0.00 0.00 41.12 44.49 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1faf n LYS 45 N -1.66 1.87 -2.78 -0.67 4.01 0.25 -4.97 118.16 114.22 1faf n LYS 45 Ca 0.05 -3.42 -0.11 0.00 -0.51 0.00 0.00 58.31 54.32 1faf n LYS 45 Cb 0.26 -1.72 0.05 0.00 -0.51 0.00 0.00 35.03 33.11 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 -1.07 -0.39 3.38 0.72 0.00 -1.16 -4.86 105.19 101.82 1faf n GLY 46 Ca 0.23 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 2.07 0.26 -0.02 0.00 -1.21 -4.94 107.32 100.01 1faf s GLY 47 Ca 0.22 -1.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.10 1faf s GLY 47 CO 0.50 -1.67 0.58 -0.56 0.00 0.00 0.00 173.10 171.96 1faf s SER 48 N -3.42 6.61 0.17 1.64 0.01 -1.26 -4.23 113.70 113.23 1faf s SER 48 Ca 0.34 0.94 0.13 0.00 1.31 0.00 0.00 55.95 58.68 1faf s SER 48 Cb 0.06 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.99 1faf s SER 48 CO 0.16 -0.13 1.20 -0.74 0.41 0.00 0.00 173.24 174.14 1faf h HIS 49 N 2.30 0.00 0.00 2.43 2.76 -1.98 -3.18 115.15 117.47 1faf h HIS 49 Ca -0.47 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.58 1faf h HIS 49 Cb 1.17 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 1faf h HIS 49 CO 0.61 0.67 -0.57 0.00 -1.30 0.00 0.00 177.93 177.34 1faf h ALA 50 N 1.33 0.73 0.01 5.26 0.00 -1.94 -2.94 119.26 121.70 1faf h ALA 50 Ca -0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1faf h ALA 50 Cb 1.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1faf h ALA 50 CO 0.08 0.71 -0.10 -0.07 0.00 0.00 0.00 179.25 179.86 1faf h LEU 51 N 0.00 0.08 -0.39 0.00 4.07 -1.91 -2.58 115.31 114.58 1faf h LEU 51 Ca -0.01 -0.85 0.03 0.00 0.08 0.00 0.00 57.88 57.13 1faf h LEU 51 Cb 1.29 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.98 1faf h LEU 51 CO 0.07 0.92 0.20 -0.03 -1.08 0.00 0.00 178.44 178.52 1faf h MET 52 N -0.75 0.39 -0.25 1.13 4.05 -1.64 -0.35 114.93 117.50 1faf h MET 52 Ca -0.01 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1faf h MET 52 Cb 0.94 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1faf h MET 52 CO 0.02 0.26 -0.11 -0.56 0.23 0.00 0.00 176.91 176.75 1faf h GLN 53 N 0.40 0.40 -0.25 0.39 -0.00 -1.64 -2.46 115.11 111.96 1faf h GLN 53 Ca 0.16 -0.10 -0.13 0.00 -0.00 0.00 0.00 58.65 58.58 1faf h GLN 53 Cb 0.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1faf h GLN 53 CO -0.11 0.52 -0.38 1.49 -0.00 0.00 0.00 178.83 180.34 1faf h GLU 54 N 0.38 0.56 0.04 0.06 4.81 -0.93 -2.88 114.58 116.62 1faf h GLU 54 Ca 0.08 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1faf h GLU 54 Cb 0.42 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1faf h GLU 54 CO 0.02 0.85 -0.07 1.25 -0.73 0.00 0.00 179.01 180.34 1faf h LEU 55 N 0.47 -0.19 -1.30 1.64 5.85 -0.61 0.26 115.31 121.43 1faf h LEU 55 Ca 0.04 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1faf h LEU 55 Cb 0.87 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1faf h LEU 55 CO 0.07 -0.11 0.26 0.78 -0.34 0.00 0.00 178.44 179.10 1faf h ASN 56 N -0.14 0.66 0.07 1.25 2.35 -1.52 0.59 115.58 118.84 1faf h ASN 56 Ca 0.01 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.50 1faf h ASN 56 Cb 0.16 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1faf h ASN 56 CO -0.04 0.56 -0.76 0.77 -1.65 0.00 0.00 177.43 176.31 1faf h SER 57 N 0.74 0.71 1.30 5.81 4.64 -1.23 0.36 113.55 125.89 1faf h SER 57 Ca 0.19 -0.47 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 1faf h SER 57 Cb 0.07 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1faf h SER 57 CO -0.03 1.24 -0.71 -0.07 -0.87 0.00 0.00 176.83 176.39 1faf h LEU 58 N 0.40 0.00 0.00 5.97 3.38 -0.05 -3.11 115.31 121.90 1faf h LEU 58 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1faf h LEU 58 Cb 1.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1faf h LEU 58 CO 0.14 0.62 -1.45 1.87 0.09 0.00 0.00 178.44 179.71 1faf n TRP 59 N -3.21 1.00 0.08 1.13 -0.00 0.20 -3.35 117.44 113.28 1faf n TRP 59 Ca 0.00 0.34 -0.03 0.00 -0.00 0.00 0.00 57.50 57.81 1faf n TRP 59 Cb 0.79 -1.11 -0.02 0.00 -0.00 0.00 0.00 31.31 30.98 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 3.68 -0.22 -0.01 5.87 0.00 -0.32 0.17 103.07 112.25 1faf h GLY 60 Ca -0.18 0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.33 1faf h GLY 60 CO 0.05 -0.08 -0.13 0.00 0.00 0.00 0.00 176.54 176.38 1faf h THR 61 N -0.32 0.49 -0.70 4.70 1.03 -1.75 0.40 112.91 116.76 1faf h THR 61 Ca -0.02 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.51 1faf h THR 61 Cb 0.16 0.49 -0.13 0.00 -1.07 0.00 0.00 68.15 67.60 1faf h THR 61 CO 0.04 0.00 -0.21 0.15 -0.01 0.00 0.00 175.52 175.48 1faf h PHE 62 N -0.01 -0.50 -0.73 0.00 3.57 -1.62 0.81 116.94 118.46 1faf h PHE 62 Ca 0.24 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.90 1faf h PHE 62 Cb 0.37 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1faf h PHE 62 CO -0.43 -0.32 0.48 0.87 -2.23 0.00 0.00 178.31 176.68 1faf h LYS 63 N -0.03 0.61 -1.01 1.11 1.57 0.28 -0.41 116.57 118.69 1faf h LYS 63 Ca 0.32 -0.04 0.26 0.00 -1.87 0.00 0.00 60.65 59.33 1faf h LYS 63 Cb 0.53 -0.14 -0.12 0.00 0.08 0.00 0.00 32.23 32.58 1faf h LYS 63 CO -0.73 0.41 0.61 1.15 -0.57 0.00 0.00 179.45 180.31 1faf h THR 64 N 0.63 0.50 0.02 -0.16 2.02 0.23 0.69 112.91 116.85 1faf h THR 64 Ca 0.33 -0.18 -0.26 0.00 0.77 0.00 0.00 66.41 67.08 1faf h THR 64 Cb 0.46 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1faf h THR 64 CO -0.12 0.10 -1.38 -0.33 0.37 0.00 0.00 175.52 174.16 1faf h GLU 65 N 0.52 0.04 -0.95 6.66 4.39 -1.07 -3.33 114.58 120.84 1faf h GLU 65 Ca 0.65 -0.07 0.12 0.00 0.34 0.00 0.00 59.36 60.40 1faf h GLU 65 Cb 1.33 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.93 1faf h GLU 65 CO -0.47 0.81 0.58 0.28 -1.16 0.00 0.00 179.01 179.05 1faf h VAL 66 N 0.01 0.90 0.00 3.13 2.07 0.15 0.85 116.25 123.36 1faf h VAL 66 Ca -0.16 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1faf h VAL 66 Cb 1.91 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1faf h VAL 66 CO 0.11 0.17 -0.23 0.22 0.02 0.00 0.00 177.57 177.86 1faf h TYR 67 N 0.92 0.00 0.00 1.57 3.20 -1.16 -2.54 116.97 118.96 1faf h TYR 67 Ca 0.47 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.24 1faf h TYR 67 Cb 0.47 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1faf h TYR 67 CO -0.02 0.23 -1.30 0.09 -1.64 0.00 0.00 178.16 175.51 1faf n ASN 68 N -4.22 0.80 -0.30 -2.11 3.02 0.34 -4.11 115.26 108.67 1faf n ASN 68 Ca -0.02 0.33 0.02 0.00 -0.03 0.00 0.00 54.58 54.88 1faf n ASN 68 Cb 0.29 0.38 0.21 0.00 -0.61 0.00 0.00 39.78 40.04 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 0.96 -0.28 3.41 8.10 0.10 0.34 115.31 127.94 1faf h LEU 69 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1faf h LEU 69 Cb 1.34 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.34 1faf h LEU 69 CO 0.03 0.66 0.00 0.54 -4.11 0.00 0.00 178.44 175.56 1faf n ARG 70 N -4.44 1.19 -0.05 0.17 1.74 -1.21 0.33 116.66 114.38 1faf n ARG 70 Ca 0.12 -0.28 -0.06 0.00 -0.77 0.00 0.00 57.85 56.87 1faf n ARG 70 Cb 0.11 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.02 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 -0.62 2.15 0.00 5.56 2.81 0.23 -4.71 117.12 122.54 1faf n MET 71 Ca 0.20 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1faf n MET 71 Cb 0.17 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 -2.42 0.00 0.00 7.83 4.13 0.93 -4.94 115.26 120.79 1faf n ASN 72 Ca -0.18 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1faf n ASN 72 Cb 0.85 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 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 -2.11 0.06 0.00 3.41 7.94 -1.07 -5.09 117.00 120.15 1faf n LEU 73 Ca 0.00 0.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1faf n LEU 73 Cb 0.00 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.49 1faf n LEU 73 CO 0.00 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 176.43 1faf n GLY 74 N 1.70 0.14 2.78 -3.96 0.00 0.15 -4.80 105.19 101.20 1faf n GLY 74 Ca 0.00 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 5.83 0.02 -0.02 0.00 -1.26 -4.61 105.19 105.14 1faf n GLY 75 Ca 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 46.02 43.31 1faf n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1faf n THR 76 N -0.25 0.19 -1.99 2.61 -2.24 -1.26 -5.02 114.28 106.32 1faf n THR 76 Ca 0.39 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.90 1faf n THR 76 Cb 0.37 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 1faf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1faf n GLY 77 N 3.20 0.62 3.70 3.38 0.00 -1.26 -4.96 105.19 109.87 1faf n GLY 77 Ca -0.05 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.84 3.52 -2.84 1.61 0.40 -1.26 -5.11 117.98 111.46 1faf s PHE 78 Ca 0.00 1.19 0.25 0.00 -0.60 0.00 0.00 56.93 57.77 1faf s PHE 78 Cb 0.00 -2.82 0.47 0.00 0.51 0.00 0.00 43.02 41.18 1faf s PHE 78 CO 0.00 0.00 1.42 1.04 0.70 0.00 0.00 175.22 178.38