#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 -1.11 -4.43 7.83 2.03 -1.26 -4.91 116.55 114.70 1faf n ASP 2 Ca 0.00 -0.35 -0.44 0.00 0.52 0.00 0.00 54.79 54.52 1faf n ASP 2 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1faf n ASP 2 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1faf s ARG 3 N -2.72 3.67 0.17 -0.67 6.06 -1.26 -5.01 118.95 119.18 1faf s ARG 3 Ca 0.00 -2.01 -0.29 0.00 -2.50 0.00 0.00 55.73 50.93 1faf s ARG 3 Cb 0.00 -4.84 -0.07 0.00 0.06 0.00 0.00 34.95 30.10 1faf s ARG 3 CO 0.00 -1.67 0.91 0.14 -2.50 0.00 0.00 175.30 172.18 1faf s VAL 4 N 2.03 4.31 -0.18 7.11 -7.23 -1.26 -4.59 120.40 120.58 1faf s VAL 4 Ca 0.31 1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 62.28 1faf s VAL 4 Cb -0.06 -4.28 -0.03 0.00 0.56 0.00 0.00 36.38 32.57 1faf s VAL 4 CO -0.08 0.43 0.56 -1.48 -0.31 0.00 0.00 175.10 174.21 1faf s LEU 5 N -0.69 4.17 1.37 1.32 2.34 -1.26 -5.07 118.68 120.86 1faf s LEU 5 Ca 0.42 0.76 -0.22 0.00 0.06 0.00 0.00 54.13 55.15 1faf s LEU 5 Cb -0.24 -2.78 0.35 0.00 -0.56 0.00 0.00 46.19 42.96 1faf s LEU 5 CO 0.30 -0.19 0.98 -0.94 -1.06 0.00 0.00 176.35 175.45 1faf s SER 6 N 1.09 -0.60 0.43 1.48 1.04 -1.26 -4.58 113.70 111.30 1faf s SER 6 Ca 0.26 0.73 0.10 0.00 0.48 0.00 0.00 55.95 57.52 1faf s SER 6 Cb -0.16 -1.01 0.95 0.00 0.10 0.00 0.00 66.02 65.90 1faf s SER 6 CO 0.10 -5.07 2.05 -0.09 0.98 0.00 0.00 173.24 171.22 1faf h ARG 7 N -3.22 0.44 0.00 4.02 2.43 -2.00 -0.60 114.38 115.45 1faf h ARG 7 Ca -0.43 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.59 1faf h ARG 7 Cb 1.32 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1faf h ARG 7 CO 0.28 0.29 -0.59 0.00 -1.51 0.00 0.00 179.97 178.44 1faf h ALA 8 N 1.77 0.99 0.44 2.80 0.00 -1.99 -2.84 119.26 120.42 1faf h ALA 8 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1faf h ALA 8 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1faf h ALA 8 CO -0.04 0.74 -0.21 -0.44 0.00 0.00 0.00 179.25 179.31 1faf h ASP 9 N 0.00 -0.50 -0.90 0.00 3.32 -1.43 -0.23 116.42 116.68 1faf h ASP 9 Ca -0.01 -0.08 0.19 0.00 0.02 0.00 0.00 57.03 57.16 1faf h ASP 9 Cb 1.07 0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1faf h ASP 9 CO 0.08 -0.08 0.45 0.07 -1.72 0.00 0.00 179.24 178.04 1faf h LYS 10 N -1.05 0.53 -0.28 3.56 5.09 -1.47 1.22 116.57 124.17 1faf h LYS 10 Ca -0.06 -0.03 -0.11 0.00 0.09 0.00 0.00 60.65 60.54 1faf h LYS 10 Cb 0.54 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 1faf h LYS 10 CO 0.10 0.35 -0.27 0.93 -2.09 0.00 0.00 179.45 178.47 1faf h GLU 11 N 0.54 0.56 -0.18 0.07 5.08 -1.51 -2.23 114.58 116.91 1faf h GLU 11 Ca 0.53 -0.22 -0.20 0.00 -1.00 0.00 0.00 59.36 58.47 1faf h GLU 11 Cb 0.90 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1faf h GLU 11 CO -0.44 0.77 -0.69 -0.09 -1.00 0.00 0.00 179.01 177.56 1faf h ARG 12 N 0.49 0.74 0.00 2.33 2.43 0.18 -2.59 114.38 117.95 1faf h ARG 12 Ca 0.07 -0.55 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1faf h ARG 12 Cb 0.72 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1faf h ARG 12 CO 0.06 1.17 -0.04 1.25 -1.51 0.00 0.00 179.97 180.90 1faf h LEU 13 N 0.53 0.00 0.04 3.80 5.85 0.15 -2.61 115.31 123.06 1faf h LEU 13 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1faf h LEU 13 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1faf h LEU 13 CO 0.14 0.04 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.19 1faf h LEU 14 N 0.00 -0.05 -1.90 2.25 3.38 -1.16 -2.62 115.31 115.21 1faf h LEU 14 Ca -0.00 -0.63 0.11 0.00 0.09 0.00 0.00 57.88 57.44 1faf h LEU 14 Cb 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1faf h LEU 14 CO 0.01 0.67 0.48 -0.08 0.09 0.00 0.00 178.44 179.60 1faf h GLU 15 N -0.82 0.00 0.01 1.13 4.81 -1.10 0.24 114.58 118.85 1faf h GLU 15 Ca -0.01 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1faf h GLU 15 Cb 0.68 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 1faf h GLU 15 CO 0.01 0.00 -1.65 -0.07 -0.73 0.00 0.00 179.01 176.57 1faf h LEU 16 N 0.00 0.03 -0.23 1.64 3.38 -1.51 -3.33 115.31 115.30 1faf h LEU 16 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1faf h LEU 16 Cb 1.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1faf h LEU 16 CO -0.00 1.06 0.00 0.18 0.09 0.00 0.00 178.44 179.77 1faf n LEU 17 N -3.11 0.35 -1.38 1.67 4.32 0.77 -4.86 117.00 114.76 1faf n LEU 17 Ca -0.16 -0.13 -0.14 0.00 -0.02 0.00 0.00 56.01 55.56 1faf n LEU 17 Cb 1.04 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.77 1faf n LEU 17 CO 0.45 0.06 -0.13 0.29 -1.22 0.00 0.00 177.39 176.84 1faf n LYS 18 N -0.65 -1.34 -3.76 3.23 5.02 -0.79 -4.81 118.16 115.06 1faf n LYS 18 Ca 0.19 0.85 -0.38 0.00 -2.02 0.00 0.00 58.31 56.95 1faf n LYS 18 Cb 0.14 -5.11 -0.12 0.00 -0.02 0.00 0.00 35.03 29.92 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 -3.80 4.19 1.08 -0.35 0.20 -1.20 -5.08 118.68 113.72 1faf s LEU 19 Ca 0.00 -1.03 -0.20 0.00 0.69 0.00 0.00 54.13 53.59 1faf s LEU 19 Cb 0.00 -1.87 0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1faf s LEU 19 CO 0.00 -0.29 -0.28 -2.65 -0.29 0.00 0.00 176.35 172.84 1faf n PRO 20 N 4.82 -1.18 0.00 0.98 -0.02 -1.26 -4.63 135.00 133.71 1faf n PRO 20 Ca -0.13 -0.33 0.13 0.00 -2.02 0.00 0.00 63.50 61.15 1faf n PRO 20 Cb 0.45 -1.57 0.43 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.10 1.17 0.08 -0.52 3.00 -1.26 -3.88 116.66 114.15 1faf n ARG 21 Ca 0.00 -0.69 -0.05 0.00 -0.01 0.00 0.00 57.85 57.10 1faf n ARG 21 Cb 0.64 -1.49 -0.08 0.00 0.00 0.00 0.00 32.46 31.53 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 1.68 0.00 -0.41 5.56 4.15 -2.05 -3.23 115.11 120.81 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 0.90 0.00 1.47 -1.93 0.00 0.00 178.83 179.27 1faf n LEU 23 N -3.35 3.83 -4.55 -2.39 -0.00 -1.25 -4.94 117.00 104.34 1faf n LEU 23 Ca 0.00 -2.48 -0.14 0.00 -0.00 0.00 0.00 56.01 53.39 1faf n LEU 23 Cb 0.89 -0.44 -0.09 0.00 -0.00 0.00 0.00 43.42 43.78 1faf n LEU 23 CO 0.46 0.74 1.27 1.87 -0.00 0.00 0.00 177.39 181.72 1faf n TRP 24 N 0.35 1.04 0.00 1.47 -0.00 -1.22 -2.34 117.44 116.74 1faf n TRP 24 Ca 0.19 -0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 1faf n TRP 24 Cb 0.73 -2.44 0.00 0.00 -0.00 0.00 0.00 31.31 29.60 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 6.64 0.33 3.56 5.87 0.00 -1.26 -5.08 105.19 115.25 1faf n GLY 25 Ca 0.48 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 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 6.09 0.37 1.61 2.15 -0.99 -4.83 116.67 121.07 1faf s ASP 26 Ca 0.00 -1.34 0.17 0.00 0.43 0.00 0.00 52.55 51.81 1faf s ASP 26 Cb 0.00 -2.57 1.11 0.00 -0.30 0.00 0.00 42.92 41.16 1faf s ASP 26 CO 0.00 -1.89 1.70 0.15 -0.17 0.00 0.00 175.17 174.96 1faf h PHE 27 N 10.00 0.81 -0.42 -5.34 3.57 -1.95 0.28 116.94 123.90 1faf h PHE 27 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1faf h PHE 27 Cb 0.99 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1faf h PHE 27 CO 1.27 -0.08 0.13 0.78 -2.23 0.00 0.00 178.31 178.19 1faf h GLY 28 N 0.35 0.65 0.90 2.40 0.00 -1.99 0.13 103.07 105.51 1faf h GLY 28 Ca 0.70 -0.33 -0.24 0.00 0.00 0.00 0.00 47.33 47.46 1faf h GLY 28 CO -0.47 0.31 -1.05 3.21 0.00 0.00 0.00 176.54 178.53 1faf h ARG 29 N 0.59 0.40 -0.37 4.80 2.47 -0.88 -2.93 114.38 118.47 1faf h ARG 29 Ca 0.14 -0.67 -0.15 0.00 -1.26 0.00 0.00 59.98 58.04 1faf h ARG 29 Cb 0.18 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1faf h ARG 29 CO -0.01 1.32 -0.37 0.00 0.56 0.00 0.00 179.97 181.46 1faf h MET 30 N -0.17 0.88 -0.58 0.04 -0.00 -1.24 -2.26 114.93 111.60 1faf h MET 30 Ca -0.18 -0.45 -0.06 0.00 -0.00 0.00 0.00 59.70 59.01 1faf h MET 30 Cb 1.83 0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 33.41 1faf h MET 30 CO 0.20 1.10 0.12 0.37 -0.00 0.00 0.00 176.91 178.70 1faf h GLN 31 N 0.72 0.91 -0.75 -0.10 4.15 -0.86 0.41 115.11 119.59 1faf h GLN 31 Ca 0.06 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 1faf h GLN 31 Cb 0.95 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1faf h GLN 31 CO 0.09 0.83 0.26 0.37 -1.93 0.00 0.00 178.83 178.45 1faf h GLN 32 N 0.87 1.14 -0.02 1.69 4.15 -1.36 -0.70 115.11 120.88 1faf h GLN 32 Ca 0.18 -0.23 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 1faf h GLN 32 Cb 0.34 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1faf h GLN 32 CO 0.00 0.96 -0.78 0.00 -1.93 0.00 0.00 178.83 177.08 1faf h ALA 33 N 1.13 0.64 -0.58 3.38 0.00 -0.89 -2.96 119.26 119.99 1faf h ALA 33 Ca 0.24 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1faf h ALA 33 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1faf h ALA 33 CO -0.01 0.86 0.03 -0.92 0.00 0.00 0.00 179.25 179.21 1faf h TYR 34 N 0.12 1.09 -0.62 0.00 5.03 0.24 0.20 116.97 123.03 1faf h TYR 34 Ca -0.03 -0.18 -0.06 0.00 2.58 0.00 0.00 58.73 61.04 1faf h TYR 34 Cb 1.37 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 39.33 1faf h TYR 34 CO 0.02 0.96 0.13 0.87 -1.32 0.00 0.00 178.16 178.83 1faf h LYS 35 N 0.90 0.99 -0.02 1.82 1.57 -1.12 -0.76 116.57 119.94 1faf h LYS 35 Ca 0.17 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1faf h LYS 35 Cb 0.51 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1faf h LYS 35 CO 0.02 0.89 -0.16 0.37 -0.57 0.00 0.00 179.45 180.01 1faf h GLN 36 N 0.94 0.13 0.00 3.15 4.15 -1.33 -3.14 115.11 119.01 1faf h GLN 36 Ca 0.20 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1faf h GLN 36 Cb 0.37 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1faf h GLN 36 CO 0.00 0.82 -0.00 1.96 -1.93 0.00 0.00 178.83 179.68 1faf h GLN 37 N -0.51 0.00 -0.01 1.69 7.50 -0.56 -0.47 115.11 122.75 1faf h GLN 37 Ca -0.01 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 1faf h GLN 37 Cb 0.86 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.38 1faf h GLN 37 CO 0.03 0.00 -0.54 0.77 -1.50 0.00 0.00 178.83 177.59 1faf h SER 38 N 0.00 0.04 0.35 1.46 0.02 -1.13 -1.45 113.55 112.84 1faf h SER 38 Ca -0.00 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1faf h SER 38 Cb 0.01 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1faf h SER 38 CO 0.00 0.57 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.70 1faf h LEU 39 N 0.03 0.18 0.00 5.07 3.38 -1.03 -1.75 115.31 121.19 1faf h LEU 39 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1faf h LEU 39 Cb 0.97 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1faf h LEU 39 CO 0.07 0.65 -0.77 0.17 0.09 0.00 0.00 178.44 178.65 1faf h LEU 40 N 0.14 0.00 -1.29 1.67 8.10 -1.39 -3.30 115.31 119.24 1faf h LEU 40 Ca 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1faf h LEU 40 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 1faf h LEU 40 CO 0.07 0.05 -0.11 0.18 -4.11 0.00 0.00 178.44 174.52 1faf n LEU 41 N -2.44 2.12 -4.67 0.17 4.77 -0.56 -4.56 117.00 111.83 1faf n LEU 41 Ca 0.02 -0.71 -0.43 0.00 -0.03 0.00 0.00 56.01 54.86 1faf n LEU 41 Cb 0.50 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1faf n LEU 41 CO 0.38 0.36 1.04 -2.28 -1.33 0.00 0.00 177.39 175.56 1faf s HIS 42 N -2.14 2.98 0.60 -1.77 2.46 -0.68 -4.31 115.29 112.43 1faf s HIS 42 Ca 0.29 1.11 0.30 0.00 0.47 0.00 0.00 55.06 57.23 1faf s HIS 42 Cb 0.20 -3.46 1.14 0.00 -0.13 0.00 0.00 32.58 30.34 1faf s HIS 42 CO 0.38 -1.47 1.46 -1.35 -2.47 0.00 0.00 174.74 171.30 1faf h PRO 43 N 7.96 0.00 0.00 2.88 0.11 -1.80 0.80 132.00 141.95 1faf h PRO 43 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1faf h PRO 43 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1faf h PRO 43 CO 0.95 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.27 1faf n ASP 44 N -3.44 0.25 -0.93 -2.05 2.03 -1.26 -2.07 116.55 109.08 1faf n ASP 44 Ca 0.23 0.58 -0.01 0.00 0.52 0.00 0.00 54.79 56.11 1faf n ASP 44 Cb 1.42 -0.63 0.19 0.00 -0.72 0.00 0.00 41.12 41.38 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1faf n LYS 45 N -1.80 1.86 -1.37 -0.67 4.76 0.28 -4.92 118.16 116.31 1faf n LYS 45 Ca 0.02 -3.35 -0.08 0.00 -2.87 0.00 0.00 58.31 52.03 1faf n LYS 45 Cb 0.13 -1.75 -0.03 0.00 -1.84 0.00 0.00 35.03 31.54 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 -1.08 0.83 3.97 0.72 0.00 -0.88 -4.96 105.19 103.78 1faf n GLY 46 Ca 0.26 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.88 1.80 0.34 -0.02 0.00 -1.23 -4.99 107.32 100.34 1faf s GLY 47 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 1faf s GLY 47 CO 0.00 -0.95 0.63 -0.56 0.00 0.00 0.00 173.10 172.23 1faf s SER 48 N -4.45 6.44 -0.16 1.64 0.01 -1.26 -4.19 113.70 111.73 1faf s SER 48 Ca 0.58 0.84 -0.24 0.00 1.31 0.00 0.00 55.95 58.44 1faf s SER 48 Cb -0.10 -2.20 -0.22 0.00 0.21 0.00 0.00 66.02 63.71 1faf s SER 48 CO 0.40 -0.29 0.53 -0.74 0.41 0.00 0.00 173.24 173.54 1faf h HIS 49 N 1.39 0.00 -0.20 2.43 2.76 -1.99 -3.18 115.15 116.35 1faf h HIS 49 Ca -0.48 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 57.75 1faf h HIS 49 Cb 1.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1faf h HIS 49 CO 0.58 1.05 0.25 0.00 -1.30 0.00 0.00 177.93 178.52 1faf h ALA 50 N -0.24 1.78 0.00 5.26 0.00 -1.97 -1.39 119.26 122.70 1faf h ALA 50 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1faf h ALA 50 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1faf h ALA 50 CO -0.06 -0.36 -0.02 -0.07 0.00 0.00 0.00 179.25 178.74 1faf h LEU 51 N 0.00 0.01 0.19 0.00 4.07 -1.94 -2.67 115.31 114.97 1faf h LEU 51 Ca 0.10 -0.87 -0.01 0.00 0.08 0.00 0.00 57.88 57.17 1faf h LEU 51 Cb 0.60 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1faf h LEU 51 CO -0.00 0.88 -0.09 -0.03 -1.08 0.00 0.00 178.44 178.12 1faf h MET 52 N -0.86 -0.25 -0.13 1.13 4.05 -1.35 -2.14 114.93 115.38 1faf h MET 52 Ca -0.00 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1faf h MET 52 Cb 0.89 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 1faf h MET 52 CO 0.00 -0.11 0.01 -0.56 0.23 0.00 0.00 176.91 176.48 1faf h GLN 53 N -0.32 0.19 -0.09 0.39 3.07 -1.44 -0.99 115.11 115.92 1faf h GLN 53 Ca -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1faf h GLN 53 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 1faf h GLN 53 CO 0.04 0.20 0.04 0.93 0.09 0.00 0.00 178.83 180.13 1faf h GLU 54 N 0.19 0.13 -0.42 0.06 5.08 -1.11 -1.36 114.58 117.15 1faf h GLU 54 Ca 0.05 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1faf h GLU 54 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1faf h GLU 54 CO 0.00 0.24 -0.14 1.25 -1.00 0.00 0.00 179.01 179.36 1faf h LEU 55 N -0.01 0.77 -0.58 1.33 5.85 -0.95 -0.63 115.31 121.09 1faf h LEU 55 Ca 0.03 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1faf h LEU 55 Cb 0.16 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1faf h LEU 55 CO -0.00 0.92 0.28 -1.13 -0.34 0.00 0.00 178.44 178.17 1faf h ASN 56 N 0.69 0.75 0.65 1.25 -0.73 -1.02 0.48 115.58 117.67 1faf h ASN 56 Ca 0.11 -0.13 -0.15 0.00 1.87 0.00 0.00 56.30 58.00 1faf h ASN 56 Cb 0.63 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.00 1faf h ASN 56 CO 0.04 0.67 -0.71 0.28 -0.37 0.00 0.00 177.43 177.34 1faf h SER 57 N 0.79 0.06 1.73 1.15 0.02 -1.10 -1.98 113.55 114.20 1faf h SER 57 Ca 0.20 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1faf h SER 57 Cb 0.11 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1faf h SER 57 CO -0.03 0.74 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.09 1faf h LEU 58 N 0.03 0.00 0.00 5.07 3.38 -0.69 -2.97 115.31 120.13 1faf h LEU 58 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1faf h LEU 58 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1faf h LEU 58 CO 0.10 0.25 -0.80 -0.25 0.09 0.00 0.00 178.44 177.82 1faf h TRP 59 N 0.00 0.00 0.00 1.13 2.91 0.08 -3.06 115.95 117.01 1faf h TRP 59 Ca -0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1faf h TRP 59 Cb 1.18 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1faf h TRP 59 CO 0.00 0.00 -0.07 0.78 -1.03 0.00 0.00 178.44 178.12 1faf h GLY 60 N 4.24 0.00 0.76 2.65 0.00 -1.31 -2.26 103.07 107.15 1faf h GLY 60 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1faf h GLY 60 CO 0.00 0.00 0.07 0.00 0.00 0.00 0.00 176.54 176.61 1faf h THR 61 N -1.00 0.91 -0.44 4.70 1.03 -1.71 -1.61 112.91 114.80 1faf h THR 61 Ca -0.01 -0.06 0.07 0.00 -0.01 0.00 0.00 66.41 66.40 1faf h THR 61 Cb 0.24 0.72 -0.09 0.00 -1.07 0.00 0.00 68.15 67.96 1faf h THR 61 CO -0.00 0.03 -0.46 0.15 -0.01 0.00 0.00 175.52 175.23 1faf h PHE 62 N 0.17 -1.36 -0.76 0.00 3.57 -1.69 0.15 116.94 117.03 1faf h PHE 62 Ca 0.11 0.07 0.17 0.00 3.53 0.00 0.00 57.97 61.86 1faf h PHE 62 Cb 0.10 0.66 -0.12 0.00 2.79 0.00 0.00 35.95 39.37 1faf h PHE 62 CO -0.14 -0.45 0.14 -0.22 -2.23 0.00 0.00 178.31 175.41 1faf h LYS 63 N -0.32 0.21 -0.97 1.11 3.64 -0.74 0.80 116.57 120.29 1faf h LYS 63 Ca 0.13 -0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.73 1faf h LYS 63 Cb 0.58 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1faf h LYS 63 CO -0.60 0.14 0.64 1.15 -2.27 0.00 0.00 179.45 178.50 1faf h THR 64 N 0.22 0.61 0.02 1.00 2.02 -0.04 0.87 112.91 117.60 1faf h THR 64 Ca 0.43 -0.13 -0.26 0.00 0.77 0.00 0.00 66.41 67.22 1faf h THR 64 Cb 0.77 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1faf h THR 64 CO -0.57 0.07 -1.38 -0.33 0.37 0.00 0.00 175.52 173.69 1faf h GLU 65 N 0.39 0.04 -0.81 6.66 4.39 0.53 -3.34 114.58 122.44 1faf h GLU 65 Ca 0.52 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 60.25 1faf h GLU 65 Cb 1.34 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.94 1faf h GLU 65 CO -0.21 0.81 0.46 0.28 -1.16 0.00 0.00 179.01 179.19 1faf h VAL 66 N 0.01 0.91 -0.50 3.13 2.07 0.66 0.89 116.25 123.41 1faf h VAL 66 Ca -0.16 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1faf h VAL 66 Cb 1.91 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1faf h VAL 66 CO 0.11 0.14 0.07 0.22 0.02 0.00 0.00 177.57 178.13 1faf h TYR 67 N 0.77 0.83 0.00 1.57 3.20 -1.20 -2.56 116.97 119.58 1faf h TYR 67 Ca 0.39 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1faf h TYR 67 Cb 0.36 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1faf h TYR 67 CO -0.06 0.73 -0.57 0.27 -1.64 0.00 0.00 178.16 176.89 1faf n ASN 68 N -4.25 0.57 -0.18 -2.11 0.23 -0.54 -3.98 115.26 105.00 1faf n ASN 68 Ca 0.03 -0.06 -0.06 0.00 -0.53 0.00 0.00 54.58 53.97 1faf n ASN 68 Cb 0.26 0.21 0.10 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.92 0.00 -4.53 8.10 0.12 0.34 115.31 120.26 1faf h LEU 69 Ca 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 57.88 57.78 1faf h LEU 69 Cb 0.62 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1faf h LEU 69 CO 0.00 0.94 0.00 0.54 -4.11 0.00 0.00 178.44 175.81 1faf n ARG 70 N -4.22 0.75 0.01 0.17 1.74 -1.23 -3.78 116.66 110.10 1faf n ARG 70 Ca 0.04 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1faf n ARG 70 Cb 0.28 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.95 0.11 -1.92 5.56 2.81 -0.66 -5.03 117.12 117.04 1faf n MET 71 Ca 0.16 0.05 -0.41 0.00 -1.81 0.00 0.00 57.70 55.69 1faf n MET 71 Cb 0.07 -0.69 -0.01 0.00 -0.71 0.00 0.00 33.22 31.88 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 -5.86 6.52 0.12 7.83 0.01 0.11 -4.92 114.94 118.75 1faf s ASN 72 Ca -0.06 2.86 0.00 0.00 -0.71 0.00 0.00 52.86 54.95 1faf s ASN 72 Cb 0.01 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1faf s ASN 72 CO 0.09 -0.76 0.00 -0.11 -1.51 0.00 0.00 177.10 174.81 1faf n LEU 73 N 1.19 0.40 0.00 0.60 0.00 -1.26 -4.82 117.00 113.11 1faf n LEU 73 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 56.01 56.24 1faf n LEU 73 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.80 1faf n LEU 73 CO 0.62 -0.69 0.00 0.61 0.00 0.00 0.00 177.39 177.93 1faf n GLY 74 N 2.68 4.84 0.00 -3.96 0.00 -1.26 -5.15 105.19 102.34 1faf n GLY 74 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.03 3.76 -0.02 0.00 -1.26 -5.13 105.19 101.51 1faf n GLY 75 Ca 0.00 0.44 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 3.47 0.00 2.61 -1.32 -1.26 -4.13 115.64 115.01 1faf s THR 76 Ca 0.00 1.46 0.00 0.00 -1.21 0.00 0.00 61.69 61.94 1faf s THR 76 Cb 0.00 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 1faf s THR 76 CO 0.00 0.33 0.00 0.61 -2.21 0.00 0.00 174.62 173.35 1faf n GLY 77 N 1.13 1.22 3.70 6.08 0.00 -1.26 -5.13 105.19 110.93 1faf n GLY 77 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.38 2.22 0.00 1.61 0.08 -1.26 -5.28 117.98 114.97 1faf s PHE 78 Ca 0.00 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1faf s PHE 78 Cb 0.00 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 1faf s PHE 78 CO 0.00 -2.67 0.00 1.04 -0.10 0.00 0.00 175.22 173.49