#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fuh h LEU 3 N 0.00 -0.13 -1.38 0.00 3.38 -1.98 0.69 115.31 115.89 2fuh h LEU 3 Ca 0.00 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2fuh h LEU 3 Cb 0.00 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2fuh h LEU 3 CO 0.00 -0.04 0.43 0.07 0.09 0.00 0.00 178.44 178.99 2fuh h LYS 4 N 0.17 0.81 0.01 1.13 -0.00 -2.05 -0.38 116.57 116.26 2fuh h LYS 4 Ca 0.27 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.65 60.87 2fuh h LYS 4 Cb 0.41 -0.18 0.00 0.00 -0.00 0.00 0.00 32.23 32.45 2fuh h LYS 4 CO -0.41 0.53 -0.01 0.00 -0.00 0.00 0.00 179.45 179.57 2fuh h ARG 5 N 0.83 -0.02 -0.98 0.07 3.08 -1.38 -3.24 114.38 112.74 2fuh h ARG 5 Ca 0.25 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.46 2fuh h ARG 5 Cb -0.02 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 2fuh h ARG 5 CO -0.06 0.71 0.61 0.82 -1.07 0.00 0.00 179.97 180.98 2fuh h ILE 6 N -0.79 0.79 0.00 2.04 2.04 0.52 0.38 117.51 122.50 2fuh h ILE 6 Ca -0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2fuh h ILE 6 Cb 0.74 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2fuh h ILE 6 CO 0.00 0.14 -0.02 -1.13 0.00 0.00 0.00 178.15 177.14 2fuh h ASN 7 N 0.79 0.00 -0.01 1.72 -0.73 -1.12 -2.43 115.58 113.81 2fuh h ASN 7 Ca 0.52 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.69 2fuh h ASN 7 Cb 0.77 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.36 2fuh h ASN 7 CO -0.29 0.02 0.00 0.50 -0.37 0.00 0.00 177.43 177.30 2fuh h LYS 8 N 0.00 0.01 -0.82 6.67 3.64 -0.25 -2.57 116.57 123.25 2fuh h LYS 8 Ca -0.00 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2fuh h LYS 8 Cb 0.07 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 2fuh h LYS 8 CO 0.00 0.21 0.51 0.93 -2.27 0.00 0.00 179.45 178.83 2fuh h GLU 9 N -0.18 0.92 -0.31 1.90 5.08 -1.45 -0.42 114.58 120.12 2fuh h GLU 9 Ca 0.00 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2fuh h GLU 9 Cb 0.20 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2fuh h GLU 9 CO -0.00 0.61 0.21 1.25 -1.00 0.00 0.00 179.01 180.08 2fuh h LEU 10 N 0.95 0.17 -2.30 1.33 6.46 -1.37 0.50 115.31 121.05 2fuh h LEU 10 Ca 0.35 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 2fuh h LEU 10 Cb 0.13 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2fuh h LEU 10 CO -0.16 0.11 0.01 0.28 -0.62 0.00 0.00 178.44 178.06 2fuh h SER 11 N 0.19 0.00 -0.02 1.25 0.02 -0.66 0.21 113.55 114.55 2fuh h SER 11 Ca 0.14 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2fuh h SER 11 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2fuh h SER 11 CO -0.02 0.00 -0.10 -0.78 -1.14 0.00 0.00 176.83 174.79 2fuh h ASP 12 N 0.00 0.12 0.79 3.07 1.82 -0.91 -2.83 116.42 118.48 2fuh h ASP 12 Ca 0.00 -0.67 -0.06 0.00 -0.39 0.00 0.00 57.03 55.92 2fuh h ASP 12 Cb 0.02 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 2fuh h ASP 12 CO -0.00 0.77 -0.27 -0.07 -1.61 0.00 0.00 179.24 178.06 2fuh h LEU 13 N -0.52 0.00 -0.47 2.28 3.38 -1.39 -2.08 115.31 116.50 2fuh h LEU 13 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2fuh h LEU 13 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2fuh h LEU 13 CO 0.02 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.82 2fuh h ALA 14 N 1.73 1.00 0.00 1.53 0.00 -0.60 -3.25 119.26 119.67 2fuh h ALA 14 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 2fuh h ALA 14 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2fuh h ALA 14 CO 0.04 0.00 -1.64 -2.13 0.00 0.00 0.00 179.25 175.52 2fuh n ARG 15 N -2.60 0.56 -3.00 0.00 0.63 -0.89 -4.96 116.66 106.41 2fuh n ARG 15 Ca 0.03 0.45 0.01 0.00 -0.92 0.00 0.00 57.85 57.42 2fuh n ARG 15 Cb 0.37 -1.64 -0.00 0.00 0.45 0.00 0.00 32.46 31.64 2fuh n ARG 15 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2fuh s ASP 16 N -6.94 -0.95 0.91 6.15 -4.77 -0.84 -5.12 116.67 105.10 2fuh s ASP 16 Ca -0.31 -0.46 -0.13 0.00 -3.30 0.00 0.00 52.55 48.35 2fuh s ASP 16 Cb 0.09 1.23 0.05 0.00 -1.09 0.00 0.00 42.92 43.20 2fuh s ASP 16 CO 0.52 -0.11 0.60 -2.65 0.70 0.00 0.00 175.17 174.23 2fuh n PRO 17 N 4.11 -0.21 -2.31 2.11 -0.02 -1.23 -4.78 135.00 132.67 2fuh n PRO 17 Ca 0.08 -0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 2fuh n PRO 17 Cb 0.60 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2fuh n PRO 17 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2fuh s PRO 18 N -3.74 4.48 0.02 0.52 0.04 -1.26 -4.96 135.00 130.10 2fuh s PRO 18 Ca 0.61 1.98 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 2fuh s PRO 18 Cb -0.24 -3.17 -0.22 0.00 0.04 0.00 0.00 34.50 30.92 2fuh s PRO 18 CO 0.64 -0.05 1.14 0.00 0.04 0.00 0.00 177.00 178.77 2fuh h ALA 19 N 4.30 0.11 0.28 8.56 0.00 -2.03 -3.33 119.26 127.16 2fuh h ALA 19 Ca -0.46 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 53.90 2fuh h ALA 19 Cb 1.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2fuh h ALA 19 CO 0.70 0.36 -0.24 1.96 0.00 0.00 0.00 179.25 182.03 2fuh h GLN 20 N -0.03 -0.52 0.00 0.00 1.08 -2.01 -3.45 115.11 110.17 2fuh h GLN 20 Ca -0.06 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2fuh h GLN 20 Cb 1.26 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2fuh h GLN 20 CO 0.11 -0.35 0.00 0.00 -0.95 0.00 0.00 178.83 177.65 2fuh s SER 22 N -0.47 -0.48 -0.08 0.00 0.01 -1.15 -4.39 113.70 107.14 2fuh s SER 22 Ca 0.00 0.16 -0.32 0.00 1.31 0.00 0.00 55.95 57.11 2fuh s SER 22 Cb 0.00 0.52 0.12 0.00 0.21 0.00 0.00 66.02 66.87 2fuh s SER 22 CO 0.00 -0.77 1.09 0.00 0.41 0.00 0.00 173.24 173.97 2fuh s ALA 23 N -2.68 -1.97 0.00 1.44 0.00 -1.26 -2.59 121.76 114.69 2fuh s ALA 23 Ca -0.04 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2fuh s ALA 23 Cb -0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2fuh s ALA 23 CO -0.04 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2fuh n GLY 24 N -0.22 2.15 3.79 0.00 0.00 -1.25 -5.01 105.19 104.65 2fuh n GLY 24 Ca -0.04 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2fuh n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fuh s PRO 25 N -0.51 4.05 -0.07 1.61 0.04 -1.26 -3.75 135.00 135.11 2fuh s PRO 25 Ca 0.00 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 2fuh s PRO 25 Cb 0.00 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 2fuh s PRO 25 CO 0.00 -0.23 0.47 0.14 0.04 0.00 0.00 177.00 177.42 2fuh s VAL 26 N -1.82 5.10 1.13 -0.36 -7.23 -1.20 -5.02 120.40 111.00 2fuh s VAL 26 Ca 0.62 0.95 -0.18 0.00 -1.81 0.00 0.00 61.98 61.55 2fuh s VAL 26 Cb -0.19 -3.80 0.28 0.00 0.56 0.00 0.00 36.38 33.24 2fuh s VAL 26 CO 0.23 0.42 0.63 0.61 -0.31 0.00 0.00 175.10 176.68 2fuh n GLY 27 N 2.72 -3.36 4.09 2.32 0.00 -1.26 -3.25 105.19 106.44 2fuh n GLY 27 Ca -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2fuh n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fuh n ASP 28 N -4.26 0.00 -3.26 1.61 8.00 -1.26 -4.79 116.55 112.59 2fuh n ASP 28 Ca 0.10 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.63 2fuh n ASP 28 Cb 0.44 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 2fuh n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2fuh s ASP 29 N -2.85 -0.45 0.00 -2.24 -1.08 -1.20 -5.01 116.67 103.83 2fuh s ASP 29 Ca 0.00 0.48 0.27 0.00 -0.52 0.00 0.00 52.55 52.78 2fuh s ASP 29 Cb 0.00 1.46 0.88 0.00 -1.46 0.00 0.00 42.92 43.80 2fuh s ASP 29 CO 0.00 -0.09 1.66 0.23 0.52 0.00 0.00 175.17 177.49 2fuh n MET 30 N 5.08 0.38 -0.49 4.34 2.81 -1.26 -3.71 117.12 124.27 2fuh n MET 30 Ca -0.08 -0.18 -0.03 0.00 -1.81 0.00 0.00 57.70 55.60 2fuh n MET 30 Cb 0.53 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.69 2fuh n MET 30 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2fuh n PHE 31 N -1.15 1.20 -3.67 2.03 3.01 -1.26 -4.75 117.46 112.86 2fuh n PHE 31 Ca 0.10 -0.70 -0.16 0.00 1.01 0.00 0.00 57.45 57.70 2fuh n PHE 31 Cb 0.32 -0.42 -0.15 0.00 -0.01 0.00 0.00 39.48 39.22 2fuh n PHE 31 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2fuh s HIS 32 N -1.71 -0.24 0.31 1.38 3.76 -1.24 -3.73 115.29 113.82 2fuh s HIS 32 Ca 0.26 0.69 0.10 0.00 -0.15 0.00 0.00 55.06 55.96 2fuh s HIS 32 Cb 0.21 -0.19 -0.06 0.00 1.11 0.00 0.00 32.58 33.65 2fuh s HIS 32 CO 0.06 -0.28 -0.13 -1.58 -0.85 0.00 0.00 174.74 171.96 2fuh s TRP 33 N 2.23 2.29 0.33 1.40 0.52 -1.14 -3.25 118.94 121.32 2fuh s TRP 33 Ca 0.02 -0.47 0.03 0.00 0.02 0.00 0.00 56.10 55.70 2fuh s TRP 33 Cb -0.12 -1.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.96 2fuh s TRP 33 CO -0.06 0.59 0.13 -0.65 0.02 0.00 0.00 176.95 176.97 2fuh s GLN 34 N -3.59 1.68 -0.29 4.98 -1.52 -1.25 -2.96 119.66 116.71 2fuh s GLN 34 Ca 0.31 -1.97 -0.13 0.00 -1.95 0.00 0.00 55.36 51.62 2fuh s GLN 34 Cb 0.00 -0.39 0.12 0.00 -0.22 0.00 0.00 33.01 32.53 2fuh s GLN 34 CO 0.15 -0.40 0.76 0.00 -0.25 0.00 0.00 175.29 175.55 2fuh s ALA 35 N -3.46 -2.14 -0.17 6.09 0.00 -1.22 -3.97 121.76 116.89 2fuh s ALA 35 Ca 0.33 2.31 -0.02 0.00 0.00 0.00 0.00 51.96 54.57 2fuh s ALA 35 Cb 0.05 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 2fuh s ALA 35 CO 0.16 -0.71 -0.09 0.99 0.00 0.00 0.00 175.76 176.11 2fuh s THR 36 N 2.28 3.16 0.13 0.00 2.01 -1.07 -2.53 115.64 119.62 2fuh s THR 36 Ca -0.07 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.39 2fuh s THR 36 Cb -0.08 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2fuh s THR 36 CO -0.19 0.48 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.48 2fuh s ILE 37 N 0.91 1.25 -0.04 1.82 1.01 -1.25 -2.94 121.20 121.95 2fuh s ILE 37 Ca -0.02 -1.87 0.01 0.00 0.00 0.00 0.00 60.65 58.77 2fuh s ILE 37 Cb -0.15 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.68 2fuh s ILE 37 CO 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 174.94 174.31 2fuh s MET 38 N -3.17 0.95 0.03 2.79 0.23 -1.26 -1.09 119.30 117.78 2fuh s MET 38 Ca 0.12 -0.16 -0.37 0.00 -1.03 0.00 0.00 55.69 54.25 2fuh s MET 38 Cb -0.01 -0.91 -0.16 0.00 -1.53 0.00 0.00 34.83 32.21 2fuh s MET 38 CO 0.02 -0.05 1.41 0.41 -2.03 0.00 0.00 175.02 174.78 2fuh n GLY 39 N 3.94 0.54 0.00 3.16 0.00 -1.24 -4.94 105.19 106.66 2fuh n GLY 39 Ca -0.25 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2fuh n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2fuh n PRO 40 N 3.02 0.00 0.09 1.61 -0.02 -1.26 -4.41 135.00 134.02 2fuh n PRO 40 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2fuh n PRO 40 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.66 2fuh n PRO 40 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2fuh n ASN 41 N 0.00 0.54 -1.03 2.55 2.85 -1.26 -4.79 115.26 114.12 2fuh n ASN 41 Ca 0.00 0.29 -0.02 0.00 -0.11 0.00 0.00 54.58 54.75 2fuh n ASN 41 Cb 0.00 -0.01 0.02 0.00 1.24 0.00 0.00 39.78 41.03 2fuh n ASN 41 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2fuh n ASP 42 N -3.47 2.84 -4.93 1.20 8.00 -1.26 -4.85 116.55 114.09 2fuh n ASP 42 Ca 0.00 -2.11 -0.27 0.00 0.71 0.00 0.00 54.79 53.12 2fuh n ASP 42 Cb 0.00 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 2fuh n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2fuh s SER 43 N 0.72 6.38 -0.04 -2.24 1.04 -1.26 -5.04 113.70 113.26 2fuh s SER 43 Ca 0.04 0.41 -0.23 0.00 0.48 0.00 0.00 55.95 56.65 2fuh s SER 43 Cb 0.04 -2.01 -0.16 0.00 0.10 0.00 0.00 66.02 63.98 2fuh s SER 43 CO 0.01 -0.07 1.00 1.55 0.98 0.00 0.00 173.24 176.71 2fuh h PRO 44 N 1.87 -0.23 -0.93 4.02 0.13 -1.95 -3.10 132.00 131.82 2fuh h PRO 44 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2fuh h PRO 44 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2fuh h PRO 44 CO 0.67 0.19 0.00 2.48 -0.23 0.00 0.00 178.00 181.11 2fuh n TYR 45 N -4.96 0.00 -1.91 1.56 0.18 -1.26 -4.65 117.16 106.12 2fuh n TYR 45 Ca -0.08 -0.10 -0.36 0.00 1.88 0.00 0.00 57.90 59.24 2fuh n TYR 45 Cb 0.26 -0.12 0.04 0.00 -0.38 0.00 0.00 39.34 39.15 2fuh n TYR 45 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2fuh s GLN 46 N -0.73 2.83 0.00 -3.48 -0.44 -1.17 -3.33 119.66 113.33 2fuh s GLN 46 Ca 0.00 1.80 0.00 0.00 -2.50 0.00 0.00 55.36 54.66 2fuh s GLN 46 Cb 0.00 -1.91 0.00 0.00 -1.64 0.00 0.00 33.01 29.46 2fuh s GLN 46 CO 0.00 -1.31 0.00 0.41 0.50 0.00 0.00 175.29 174.89 2fuh n GLY 47 N 0.45 0.50 3.17 2.59 0.00 -1.26 -4.99 105.19 105.65 2fuh n GLY 47 Ca 0.13 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2fuh n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fuh s GLY 48 N -2.83 0.83 0.13 -0.02 0.00 -1.21 -5.04 107.32 99.18 2fuh s GLY 48 Ca 0.00 -1.39 0.05 0.00 0.00 0.00 0.00 44.72 43.38 2fuh s GLY 48 CO 0.00 -1.43 0.05 0.54 0.00 0.00 0.00 173.10 172.26 2fuh s VAL 49 N -3.75 4.14 0.40 1.40 0.11 -1.25 -3.63 120.40 117.82 2fuh s VAL 49 Ca 0.15 -1.10 0.08 0.00 -2.93 0.00 0.00 61.98 58.17 2fuh s VAL 49 Cb 0.06 -3.05 -0.07 0.00 -1.53 0.00 0.00 36.38 31.80 2fuh s VAL 49 CO -0.03 -0.01 0.03 -0.36 -3.33 0.00 0.00 175.10 171.40 2fuh s PHE 50 N -1.56 2.52 0.02 1.54 0.08 -0.25 -4.75 117.98 115.58 2fuh s PHE 50 Ca 0.28 -0.61 -0.00 0.00 0.12 0.00 0.00 56.93 56.72 2fuh s PHE 50 Cb -0.11 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2fuh s PHE 50 CO 0.20 0.42 -0.03 -0.06 -0.10 0.00 0.00 175.22 175.66 2fuh s PHE 51 N -2.66 0.24 0.13 0.36 0.40 -1.26 -3.85 117.98 111.35 2fuh s PHE 51 Ca 0.36 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 2fuh s PHE 51 Cb 0.07 -0.18 -0.00 0.00 0.51 0.00 0.00 43.02 43.42 2fuh s PHE 51 CO 0.19 -0.18 0.26 -0.51 0.70 0.00 0.00 175.22 175.67 2fuh s LEU 52 N -1.37 1.10 -0.24 -0.37 1.43 -1.05 -3.37 118.68 114.81 2fuh s LEU 52 Ca -0.15 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.17 2fuh s LEU 52 Cb -0.09 1.17 0.12 0.00 0.03 0.00 0.00 46.19 47.42 2fuh s LEU 52 CO -0.01 -0.83 0.28 0.42 0.23 0.00 0.00 176.35 176.44 2fuh s THR 53 N -3.92 -0.41 -0.44 5.49 -4.23 -1.21 -3.41 115.64 107.50 2fuh s THR 53 Ca 0.12 -0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 60.26 2fuh s THR 53 Cb 0.04 -0.81 0.06 0.00 1.34 0.00 0.00 72.50 73.13 2fuh s THR 53 CO -0.05 -0.27 0.34 -0.63 -0.54 0.00 0.00 174.62 173.46 2fuh s ILE 54 N 2.39 5.02 0.52 2.99 1.09 -1.15 -2.95 121.20 129.10 2fuh s ILE 54 Ca 0.09 -1.02 -0.16 0.00 -1.10 0.00 0.00 60.65 58.46 2fuh s ILE 54 Cb -0.15 -3.95 -0.08 0.00 -1.06 0.00 0.00 42.46 37.22 2fuh s ILE 54 CO -0.20 -0.48 0.99 -1.00 -0.10 0.00 0.00 174.94 174.15 2fuh s HIS 55 N 1.61 3.47 -0.28 3.97 3.76 -1.18 -2.89 115.29 123.73 2fuh s HIS 55 Ca 0.04 1.45 0.02 0.00 -0.15 0.00 0.00 55.06 56.42 2fuh s HIS 55 Cb -0.23 -2.78 0.08 0.00 1.11 0.00 0.00 32.58 30.76 2fuh s HIS 55 CO 0.07 -0.39 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.48 2fuh s PHE 56 N -2.67 3.04 0.63 1.40 0.40 -1.24 -3.06 117.98 116.48 2fuh s PHE 56 Ca 0.59 -2.34 -0.14 0.00 -0.60 0.00 0.00 56.93 54.44 2fuh s PHE 56 Cb -0.10 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 2fuh s PHE 56 CO 0.33 -0.87 1.05 -1.25 0.70 0.00 0.00 175.22 175.18 2fuh s PRO 57 N 1.16 3.23 0.56 0.24 0.04 -1.26 -4.86 135.00 134.12 2fuh s PRO 57 Ca 0.00 1.06 0.33 0.00 0.04 0.00 0.00 61.00 62.44 2fuh s PRO 57 Cb -0.19 -2.03 1.47 0.00 0.04 0.00 0.00 34.50 33.80 2fuh s PRO 57 CO -0.08 -0.87 1.80 1.79 0.04 0.00 0.00 177.00 179.68 2fuh h THR 58 N -0.01 0.38 -0.67 1.26 1.35 -2.00 0.97 112.91 114.20 2fuh h THR 58 Ca -0.45 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.25 2fuh h THR 58 Cb 1.21 0.45 -0.09 0.00 -1.73 0.00 0.00 68.15 67.99 2fuh h THR 58 CO 0.58 0.00 0.19 0.47 -0.25 0.00 0.00 175.52 176.51 2fuh n ASP 59 N -4.00 4.90 -0.26 5.36 8.00 -1.26 -4.69 116.55 124.61 2fuh n ASP 59 Ca 0.20 -3.18 -0.03 0.00 0.71 0.00 0.00 54.79 52.50 2fuh n ASP 59 Cb 1.08 -0.72 0.03 0.00 -0.02 0.00 0.00 41.12 41.50 2fuh n ASP 59 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2fuh h TYR 60 N 2.83 -0.84 0.00 1.24 5.03 0.85 1.66 116.97 127.75 2fuh h TYR 60 Ca 0.20 0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.58 2fuh h TYR 60 Cb 2.20 0.48 0.00 0.00 1.55 0.00 0.00 36.73 40.95 2fuh h TYR 60 CO 1.20 -0.38 0.20 -0.35 -1.32 0.00 0.00 178.16 177.51 2fuh n PRO 61 N -5.46 0.08 -0.01 1.82 -0.04 -1.26 -2.96 135.00 127.17 2fuh n PRO 61 Ca 0.07 0.53 -0.01 0.00 -0.04 0.00 0.00 63.50 64.05 2fuh n PRO 61 Cb 0.37 -1.96 -0.00 0.00 -0.04 0.00 0.00 33.50 31.87 2fuh n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fuh n PHE 62 N -1.93 0.00 -3.79 0.54 3.72 0.23 -4.58 117.46 111.66 2fuh n PHE 62 Ca -0.01 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.07 2fuh n PHE 62 Cb 0.22 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 2fuh n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2fuh s LYS 63 N -2.02 3.54 0.79 -1.08 1.02 0.50 -5.05 119.74 117.44 2fuh s LYS 63 Ca -0.02 -0.21 -0.11 0.00 0.02 0.00 0.00 55.97 55.66 2fuh s LYS 63 Cb 0.01 -2.99 0.07 0.00 -0.52 0.00 0.00 37.83 34.39 2fuh s LYS 63 CO 0.02 0.58 1.11 -1.25 -0.92 0.00 0.00 175.35 174.89 2fuh s PRO 64 N -2.29 2.06 0.93 -1.68 0.04 -1.26 -4.04 135.00 128.75 2fuh s PRO 64 Ca 0.34 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 2fuh s PRO 64 Cb -0.13 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.69 2fuh s PRO 64 CO 0.23 -1.81 1.16 -1.25 0.04 0.00 0.00 177.00 175.38 2fuh s PRO 65 N -4.76 1.00 -0.79 0.56 0.04 -1.26 -4.83 135.00 124.96 2fuh s PRO 65 Ca 0.63 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.77 2fuh s PRO 65 Cb -0.19 -1.84 0.20 0.00 0.04 0.00 0.00 34.50 32.72 2fuh s PRO 65 CO 0.55 -2.26 0.66 0.21 0.04 0.00 0.00 177.00 176.20 2fuh s LYS 66 N -5.41 3.10 0.37 4.56 2.36 -1.17 -4.94 119.74 118.61 2fuh s LYS 66 Ca 0.65 -2.83 -0.21 0.00 -2.55 0.00 0.00 55.97 51.03 2fuh s LYS 66 Cb -0.12 -3.98 -0.10 0.00 -1.05 0.00 0.00 37.83 32.57 2fuh s LYS 66 CO 0.53 -1.23 0.90 0.54 1.55 0.00 0.00 175.35 177.64 2fuh s VAL 67 N -0.57 4.39 -0.22 4.02 0.11 -1.26 -3.12 120.40 123.75 2fuh s VAL 67 Ca 0.22 1.50 -0.08 0.00 -2.93 0.00 0.00 61.98 60.69 2fuh s VAL 67 Cb -0.13 -3.73 0.10 0.00 -1.53 0.00 0.00 36.38 31.08 2fuh s VAL 67 CO -0.08 -0.14 0.47 0.00 -3.33 0.00 0.00 175.10 172.02 2fuh s ALA 68 N -1.96 -1.33 -0.44 1.54 0.00 -1.15 -4.61 121.76 113.81 2fuh s ALA 68 Ca 0.56 1.68 -0.28 0.00 0.00 0.00 0.00 51.96 53.92 2fuh s ALA 68 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.62 2fuh s ALA 68 CO 0.17 -0.75 1.46 -0.06 0.00 0.00 0.00 175.76 176.57 2fuh s PHE 69 N 2.58 2.31 0.44 0.00 0.08 -1.22 -3.35 117.98 118.81 2fuh s PHE 69 Ca -0.03 0.64 0.12 0.00 0.12 0.00 0.00 56.93 57.77 2fuh s PHE 69 Cb -0.12 -4.31 0.97 0.00 -0.57 0.00 0.00 43.02 39.00 2fuh s PHE 69 CO -0.14 -2.07 2.02 1.79 -0.10 0.00 0.00 175.22 176.72 2fuh h THR 70 N 6.49 1.10 -3.41 0.64 1.35 -1.92 -3.41 112.91 113.76 2fuh h THR 70 Ca -0.28 -0.42 -0.59 0.00 -0.55 0.00 0.00 66.41 64.57 2fuh h THR 70 Cb 1.11 1.03 -0.09 0.00 -1.73 0.00 0.00 68.15 68.47 2fuh h THR 70 CO 1.10 0.14 0.06 0.42 -0.25 0.00 0.00 175.52 176.99 2fuh s THR 71 N -4.96 5.06 -0.97 6.82 -4.23 -1.26 -4.99 115.64 111.11 2fuh s THR 71 Ca -0.06 1.14 -0.24 0.00 -1.18 0.00 0.00 61.69 61.36 2fuh s THR 71 Cb 0.16 -3.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 2fuh s THR 71 CO 0.71 0.16 1.81 -0.13 -0.54 0.00 0.00 174.62 176.62 2fuh s ARG 72 N 1.63 2.87 0.00 3.99 3.00 -1.26 -4.95 118.95 124.23 2fuh s ARG 72 Ca 0.28 -0.63 -0.06 0.00 0.00 0.00 0.00 55.73 55.32 2fuh s ARG 72 Cb -0.16 -5.17 -0.05 0.00 0.00 0.00 0.00 34.95 29.58 2fuh s ARG 72 CO 0.11 -3.08 0.25 -1.50 0.00 0.00 0.00 175.30 171.08 2fuh s ILE 73 N 8.62 5.33 -0.52 1.52 2.07 -1.26 -4.91 121.20 132.05 2fuh s ILE 73 Ca 0.63 0.12 -0.16 0.00 -1.41 0.00 0.00 60.65 59.83 2fuh s ILE 73 Cb -0.04 -3.56 0.10 0.00 0.13 0.00 0.00 42.46 39.10 2fuh s ILE 73 CO -0.02 0.37 0.50 -0.47 -1.91 0.00 0.00 174.94 173.41 2fuh s TYR 74 N -1.29 3.20 -0.10 3.50 5.04 -1.26 -4.52 117.35 121.91 2fuh s TYR 74 Ca 0.27 -1.08 -0.06 0.00 -2.44 0.00 0.00 57.07 53.76 2fuh s TYR 74 Cb -0.13 -3.62 0.04 0.00 0.35 0.00 0.00 41.96 38.60 2fuh s TYR 74 CO 0.16 -0.99 0.25 -1.58 -1.34 0.00 0.00 175.55 172.05 2fuh s HIS 75 N 1.83 -0.32 0.23 4.97 2.46 -1.26 -4.81 115.29 118.38 2fuh s HIS 75 Ca 0.05 0.76 -0.15 0.00 0.47 0.00 0.00 55.06 56.20 2fuh s HIS 75 Cb -0.27 0.06 0.27 0.00 -0.13 0.00 0.00 32.58 32.51 2fuh s HIS 75 CO 0.05 -0.21 1.58 -1.35 -2.47 0.00 0.00 174.74 172.34 2fuh h PRO 76 N 6.85 -0.04 0.00 2.88 0.11 -1.91 1.06 132.00 140.95 2fuh h PRO 76 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2fuh h PRO 76 Cb 1.17 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fuh h PRO 76 CO 0.37 -0.03 0.00 -1.71 -0.21 0.00 0.00 178.00 176.42 2fuh n ASN 77 N -5.50 0.00 -4.44 -2.05 2.85 -1.26 -3.44 115.26 101.42 2fuh n ASN 77 Ca 0.10 -0.72 -0.21 0.00 -0.11 0.00 0.00 54.58 53.63 2fuh n ASN 77 Cb 0.40 -0.03 -0.10 0.00 1.24 0.00 0.00 39.78 41.29 2fuh n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2fuh s ILE 78 N -2.06 1.55 0.22 -1.44 -1.09 0.37 -3.43 121.20 115.32 2fuh s ILE 78 Ca 0.37 -2.09 0.02 0.00 -2.23 0.00 0.00 60.65 56.72 2fuh s ILE 78 Cb 0.18 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.51 2fuh s ILE 78 CO 0.31 -0.23 0.25 -0.46 -1.23 0.00 0.00 174.94 173.58 2fuh n ASN 79 N -0.62 -0.69 0.13 3.58 0.23 -1.26 -4.24 115.26 112.40 2fuh n ASN 79 Ca -0.05 -2.32 0.12 0.00 -0.53 0.00 0.00 54.58 51.80 2fuh n ASN 79 Cb 0.64 1.39 0.14 0.00 -2.08 0.00 0.00 39.78 39.87 2fuh n ASN 79 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2fuh h SER 80 N 1.30 0.00 1.03 0.53 0.02 -1.94 -3.24 113.55 111.25 2fuh h SER 80 Ca -0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2fuh h SER 80 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2fuh h SER 80 CO 0.23 0.02 0.00 0.78 -1.14 0.00 0.00 176.83 176.72 2fuh h ASN 81 N 0.00 0.00 0.00 3.07 -0.26 -1.96 -3.46 115.58 112.96 2fuh h ASN 81 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2fuh h ASN 81 Cb 0.91 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.17 2fuh h ASN 81 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2fuh n GLY 82 N 0.41 0.69 3.55 2.83 0.00 -1.22 -4.75 105.19 106.69 2fuh n GLY 82 Ca 0.03 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2fuh n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fuh s SER 83 N -2.07 6.43 -0.14 1.61 0.15 -1.26 -3.42 113.70 115.00 2fuh s SER 83 Ca 0.00 -0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 2fuh s SER 83 Cb 0.00 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 2fuh s SER 83 CO 0.00 -1.01 0.21 -0.63 1.20 0.00 0.00 173.24 173.02 2fuh s ILE 84 N 3.54 5.36 -0.27 6.45 1.09 -1.26 -4.14 121.20 131.97 2fuh s ILE 84 Ca 0.33 0.38 -0.07 0.00 -1.10 0.00 0.00 60.65 60.19 2fuh s ILE 84 Cb -0.11 -3.53 -0.01 0.00 -1.06 0.00 0.00 42.46 37.75 2fuh s ILE 84 CO 0.24 0.49 0.07 0.00 -0.10 0.00 0.00 174.94 175.63 2fuh s LEU 86 N 1.54 1.43 0.04 0.00 1.43 -1.26 -4.99 118.68 116.87 2fuh s LEU 86 Ca 0.04 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.03 2fuh s LEU 86 Cb -0.16 0.88 -0.17 0.00 0.03 0.00 0.00 46.19 46.77 2fuh s LEU 86 CO 0.02 -0.77 1.49 0.44 0.23 0.00 0.00 176.35 177.75 2fuh h ASP 87 N 2.74 -0.19 0.17 2.29 3.32 -1.98 -2.23 116.42 120.53 2fuh h ASP 87 Ca -0.33 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2fuh h ASP 87 Cb 1.20 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2fuh h ASP 87 CO 0.55 0.04 0.00 2.30 -1.72 0.00 0.00 179.24 180.41 2fuh n ILE 88 N -5.10 1.45 -0.35 0.35 -6.64 -1.26 -1.20 119.36 106.61 2fuh n ILE 88 Ca -0.09 0.48 -0.05 0.00 -1.77 0.00 0.00 62.75 61.33 2fuh n ILE 88 Cb 0.18 -1.43 0.20 0.00 -1.44 0.00 0.00 39.64 37.16 2fuh n ILE 88 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2fuh n LEU 89 N -1.77 4.75 0.00 7.28 -0.00 -0.84 -4.28 117.00 122.14 2fuh n LEU 89 Ca 0.01 -2.46 0.00 0.00 -0.00 0.00 0.00 56.01 53.56 2fuh n LEU 89 Cb 0.07 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 2fuh n LEU 89 CO 0.07 0.67 0.00 0.54 -0.00 0.00 0.00 177.39 178.67 2fuh n ARG 90 N -0.04 0.86 -0.17 1.96 1.74 -0.34 -4.80 116.66 115.86 2fuh n ARG 90 Ca 0.28 0.00 0.24 0.00 -0.77 0.00 0.00 57.85 57.60 2fuh n ARG 90 Cb 1.06 0.00 0.37 0.00 -1.02 0.00 0.00 32.46 32.87 2fuh n ARG 90 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2fuh n SER 91 N 0.00 0.00 -0.95 0.55 2.88 -1.26 0.10 113.62 114.94 2fuh n SER 91 Ca 0.00 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2fuh n SER 91 Cb 0.00 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2fuh n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fuh n GLN 92 N -3.02 0.60 -3.15 -1.46 6.02 -1.26 -4.71 117.38 110.39 2fuh n GLN 92 Ca 0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 2fuh n GLN 92 Cb 1.37 -1.21 -0.07 0.00 1.02 0.00 0.00 30.24 31.35 2fuh n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2fuh s TRP 93 N 0.27 3.09 -0.25 1.08 -0.11 0.12 -4.78 118.94 118.36 2fuh s TRP 93 Ca 0.00 -0.10 -0.16 0.00 1.22 0.00 0.00 56.10 57.06 2fuh s TRP 93 Cb 0.00 -3.24 -0.04 0.00 -1.50 0.00 0.00 33.47 28.69 2fuh s TRP 93 CO 0.00 -0.82 0.40 -1.12 -4.62 0.00 0.00 176.95 170.78 2fuh s SER 94 N 1.95 6.33 0.00 5.86 0.01 -1.26 -4.92 113.70 121.67 2fuh s SER 94 Ca 0.20 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2fuh s SER 94 Cb -0.15 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2fuh s SER 94 CO 0.18 -0.17 0.61 -2.65 0.41 0.00 0.00 173.24 171.62 2fuh n PRO 95 N 5.12 0.00 -3.11 12.44 -0.02 -1.26 -1.73 135.00 146.43 2fuh n PRO 95 Ca -0.08 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.34 2fuh n PRO 95 Cb 0.51 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 2fuh n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fuh n ALA 96 N -1.11 1.67 -2.82 3.55 0.00 -1.26 -4.90 120.51 115.63 2fuh n ALA 96 Ca 0.00 -3.06 -0.29 0.00 0.00 0.00 0.00 53.44 50.09 2fuh n ALA 96 Cb 0.34 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2fuh n ALA 96 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2fuh s LEU 97 N -1.65 3.95 -0.89 0.00 0.05 -0.71 -5.05 118.68 114.39 2fuh s LEU 97 Ca 0.36 0.02 -0.23 0.00 0.05 0.00 0.00 54.13 54.32 2fuh s LEU 97 Cb 0.25 -2.58 0.06 0.00 -2.05 0.00 0.00 46.19 41.86 2fuh s LEU 97 CO -0.11 0.13 1.29 0.42 -0.55 0.00 0.00 176.35 177.53 2fuh s THR 98 N -1.56 4.05 0.58 5.48 -4.23 -1.26 -4.83 115.64 113.87 2fuh s THR 98 Ca 0.31 -0.54 0.17 0.00 -1.18 0.00 0.00 61.69 60.44 2fuh s THR 98 Cb -0.12 -4.93 0.24 0.00 1.34 0.00 0.00 72.50 69.04 2fuh s THR 98 CO 0.24 -1.79 1.11 0.00 -0.54 0.00 0.00 174.62 173.65 2fuh n ILE 99 N 6.40 0.00 -0.25 2.99 3.06 -1.26 0.10 119.36 130.40 2fuh n ILE 99 Ca 0.19 1.09 0.15 0.00 -2.50 0.00 0.00 62.75 61.68 2fuh n ILE 99 Cb 0.49 -2.02 0.43 0.00 0.54 0.00 0.00 39.64 39.09 2fuh n ILE 99 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 2fuh h SER 100 N 0.00 0.55 0.11 9.51 0.87 -1.98 0.67 113.55 123.29 2fuh h SER 100 Ca 0.31 0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.74 2fuh h SER 100 Cb 2.44 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 64.33 2fuh h SER 100 CO -0.00 0.26 -0.62 0.07 -0.53 0.00 0.00 176.83 176.01 2fuh h LYS 101 N 0.57 0.50 -0.08 2.24 2.10 0.26 -1.86 116.57 120.30 2fuh h LYS 101 Ca 0.45 -0.35 0.02 0.00 -2.00 0.00 0.00 60.65 58.77 2fuh h LYS 101 Cb 0.88 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.24 2fuh h LYS 101 CO -0.20 0.97 -0.04 0.28 -2.00 0.00 0.00 179.45 178.46 2fuh h VAL 102 N 0.37 0.88 -0.23 0.07 2.07 -1.00 0.78 116.25 119.20 2fuh h VAL 102 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2fuh h VAL 102 Cb 1.18 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2fuh h VAL 102 CO 0.11 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.61 2fuh h LEU 103 N -0.03 0.41 -0.94 2.57 4.07 -1.45 -3.02 115.31 116.92 2fuh h LEU 103 Ca 0.05 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2fuh h LEU 103 Cb 0.10 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.68 2fuh h LEU 103 CO -0.10 0.65 0.59 0.25 -1.08 0.00 0.00 178.44 178.75 2fuh h LEU 104 N 0.16 1.11 -1.01 1.67 6.46 -1.09 -2.11 115.31 120.51 2fuh h LEU 104 Ca 0.06 -0.05 0.21 0.00 -0.12 0.00 0.00 57.88 57.98 2fuh h LEU 104 Cb 0.46 -0.28 -0.11 0.00 -0.73 0.00 0.00 40.66 39.99 2fuh h LEU 104 CO 0.02 0.84 0.61 0.28 -0.62 0.00 0.00 178.44 179.56 2fuh h SER 105 N 1.29 0.74 -0.18 1.25 0.02 0.72 0.34 113.55 117.73 2fuh h SER 105 Ca 0.34 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2fuh h SER 105 Cb -0.09 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2fuh h SER 105 CO -0.07 0.21 0.12 0.40 -1.14 0.00 0.00 176.83 176.35 2fuh h ILE 106 N 0.69 1.05 -0.93 3.27 2.04 -1.35 -1.39 117.51 120.90 2fuh h ILE 106 Ca 0.60 -0.11 0.17 0.00 1.00 0.00 0.00 64.86 66.53 2fuh h ILE 106 Cb 1.03 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 37.83 2fuh h ILE 106 CO -0.42 0.05 0.59 0.00 0.00 0.00 0.00 178.15 178.38 2fuh h SER 108 N 0.64 0.00 0.03 0.00 0.87 -0.91 -3.06 113.55 111.13 2fuh h SER 108 Ca 0.48 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.86 2fuh h SER 108 Cb 0.88 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.86 2fuh h SER 108 CO -0.24 0.55 -0.75 0.25 -0.53 0.00 0.00 176.83 176.11 2fuh h LEU 109 N 0.00 0.60 -0.58 2.23 6.46 0.68 -2.74 115.31 121.95 2fuh h LEU 109 Ca -0.01 -0.80 0.09 0.00 -0.12 0.00 0.00 57.88 57.04 2fuh h LEU 109 Cb 1.10 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.78 2fuh h LEU 109 CO 0.07 1.32 0.22 -0.07 -0.62 0.00 0.00 178.44 179.37 2fuh h LEU 110 N -0.06 0.23 -0.34 2.25 3.38 -0.68 0.34 115.31 120.43 2fuh h LEU 110 Ca -0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2fuh h LEU 110 Cb 1.47 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2fuh h LEU 110 CO 0.15 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.82 2fuh s ASP 112 N -1.49 -1.10 1.01 0.00 2.15 0.12 -5.08 116.67 112.27 2fuh s ASP 112 Ca 0.26 0.35 -0.07 0.00 0.43 0.00 0.00 52.55 53.51 2fuh s ASP 112 Cb 0.13 1.87 0.10 0.00 -0.30 0.00 0.00 42.92 44.72 2fuh s ASP 112 CO 0.20 -0.29 0.56 -0.81 -0.17 0.00 0.00 175.17 174.65 2fuh n PRO 113 N 5.41 -0.71 -3.23 4.34 -0.04 -1.14 -4.26 135.00 135.37 2fuh n PRO 113 Ca 0.02 -0.86 -0.02 0.00 -0.04 0.00 0.00 63.50 62.60 2fuh n PRO 113 Cb 0.52 -0.60 -0.04 0.00 -0.04 0.00 0.00 33.50 33.35 2fuh n PRO 113 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2fuh s ASN 114 N -3.04 -0.67 0.00 3.54 3.84 -1.26 -5.08 114.94 112.27 2fuh s ASN 114 Ca 0.32 0.39 0.00 0.00 0.21 0.00 0.00 52.86 53.78 2fuh s ASN 114 Cb -0.01 1.67 0.00 0.00 -0.55 0.00 0.00 41.25 42.36 2fuh s ASN 114 CO 0.23 -0.29 0.00 -0.81 -2.79 0.00 0.00 177.10 173.43 2fuh n PRO 115 N 5.40 1.40 -1.42 0.43 -0.04 -1.26 -4.70 135.00 134.81 2fuh n PRO 115 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2fuh n PRO 115 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2fuh n PRO 115 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2fuh n ASP 116 N 0.00 -1.89 -3.81 3.54 2.03 -1.26 -4.52 116.55 110.64 2fuh n ASP 116 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2fuh n ASP 116 Cb 0.00 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2fuh n ASP 116 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2fuh n ASP 117 N -0.76 -4.85 -3.64 1.67 9.92 -1.26 -4.95 116.55 112.67 2fuh n ASP 117 Ca 0.00 -0.99 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 2fuh n ASP 117 Cb 0.29 -1.84 0.00 0.00 -0.64 0.00 0.00 41.12 38.93 2fuh n ASP 117 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2fuh n PRO 118 N -3.04 2.20 0.07 -0.24 -0.02 -1.26 -4.90 135.00 127.80 2fuh n PRO 118 Ca -0.27 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.19 2fuh n PRO 118 Cb 0.66 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.08 2fuh n PRO 118 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2fuh h LEU 119 N 0.00 0.00 -6.55 2.45 7.12 -1.86 -3.39 115.31 113.07 2fuh h LEU 119 Ca 0.00 0.00 -0.60 0.00 0.13 0.00 0.00 57.88 57.41 2fuh h LEU 119 Cb 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 40.66 39.73 2fuh h LEU 119 CO 0.00 0.74 -0.81 1.33 -0.13 0.00 0.00 178.44 179.56 2fuh n VAL 120 N -3.15 0.21 0.26 1.05 0.24 -1.22 -4.96 118.33 110.76 2fuh n VAL 120 Ca -0.04 -4.19 0.06 0.00 -2.04 0.00 0.00 64.34 58.13 2fuh n VAL 120 Cb 0.87 -1.92 0.30 0.00 -1.47 0.00 0.00 33.84 31.61 2fuh n VAL 120 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2fuh h PRO 121 N 5.19 0.00 -0.07 7.34 0.11 -1.89 -0.23 132.00 142.45 2fuh h PRO 121 Ca 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 2fuh h PRO 121 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2fuh h PRO 121 CO 0.55 0.00 0.04 1.49 -0.21 0.00 0.00 178.00 179.87 2fuh h GLU 122 N 0.00 0.11 0.00 1.05 4.57 -1.97 -2.51 114.58 115.83 2fuh h GLU 122 Ca 0.00 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2fuh h GLU 122 Cb 1.22 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 2fuh h GLU 122 CO 0.00 0.16 -0.61 0.82 -1.18 0.00 0.00 179.01 178.20 2fuh h ILE 123 N 0.02 1.35 -0.50 2.32 2.04 -1.41 -3.19 117.51 118.13 2fuh h ILE 123 Ca 0.03 -2.16 0.05 0.00 1.00 0.00 0.00 64.86 63.77 2fuh h ILE 123 Cb 0.09 2.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2fuh h ILE 123 CO -0.00 0.60 0.24 0.00 0.00 0.00 0.00 178.15 178.99 2fuh h ALA 124 N 1.39 0.63 -0.85 1.87 0.00 -1.43 0.15 119.26 121.03 2fuh h ALA 124 Ca -0.01 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2fuh h ALA 124 Cb 1.15 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2fuh h ALA 124 CO 0.08 -0.11 0.49 -0.09 0.00 0.00 0.00 179.25 179.62 2fuh h ARG 125 N 0.47 0.79 -0.08 0.00 2.43 -1.44 1.06 114.38 117.62 2fuh h ARG 125 Ca 0.22 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2fuh h ARG 125 Cb 0.14 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2fuh h ARG 125 CO -0.16 0.52 -0.12 0.82 -1.51 0.00 0.00 179.97 179.52 2fuh h ILE 126 N 0.81 1.39 -0.08 1.20 2.04 -1.44 -3.15 117.51 118.29 2fuh h ILE 126 Ca 0.41 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 2fuh h ILE 126 Cb 0.39 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2fuh h ILE 126 CO -0.25 0.38 -0.19 0.22 0.00 0.00 0.00 178.15 178.31 2fuh h TYR 127 N -0.24 0.14 0.01 1.37 3.20 -0.14 0.18 116.97 121.49 2fuh h TYR 127 Ca 0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2fuh h TYR 127 Cb 0.68 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2fuh h TYR 127 CO 0.10 0.33 -0.10 0.87 -1.64 0.00 0.00 178.16 177.72 2fuh h LYS 128 N 0.13 -0.13 0.00 1.82 6.56 0.12 -3.38 116.57 121.69 2fuh h LYS 128 Ca 0.02 0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.47 2fuh h LYS 128 Cb 0.42 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.09 2fuh h LYS 128 CO 0.03 -0.09 -1.56 0.25 -2.06 0.00 0.00 179.45 176.02 2fuh n THR 129 N -3.05 0.56 -1.33 -0.16 -2.24 -1.23 -4.74 114.28 102.09 2fuh n THR 129 Ca -0.02 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 2fuh n THR 129 Cb 0.08 -1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 67.26 2fuh n THR 129 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fuh n ASP 130 N -2.93 8.03 0.25 3.42 -0.08 0.60 -4.52 116.55 121.31 2fuh n ASP 130 Ca -0.18 -2.59 0.14 0.00 -1.51 0.00 0.00 54.79 50.65 2fuh n ASP 130 Cb 0.68 -1.55 0.48 0.00 2.34 0.00 0.00 41.12 43.07 2fuh n ASP 130 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2fuh h ARG 131 N 5.18 0.00 -0.26 -0.67 3.08 -1.68 -2.98 114.38 117.05 2fuh h ARG 131 Ca 0.83 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.81 2fuh h ARG 131 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2fuh h ARG 131 CO 1.79 0.05 -0.13 -0.44 -1.07 0.00 0.00 179.97 180.16 2fuh h ASP 132 N 0.00 0.43 0.02 7.04 5.19 -1.87 -2.89 116.42 124.33 2fuh h ASP 132 Ca -0.00 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2fuh h ASP 132 Cb 0.71 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2fuh h ASP 132 CO 0.01 0.60 -0.01 0.50 -3.12 0.00 0.00 179.24 177.22 2fuh h LYS 133 N 0.41 -0.02 -0.91 3.56 3.64 -1.86 -3.21 116.57 118.18 2fuh h LYS 133 Ca 0.08 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.72 2fuh h LYS 133 Cb 0.49 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 2fuh h LYS 133 CO 0.03 0.74 0.82 -0.92 -2.27 0.00 0.00 179.45 177.84 2fuh h TYR 134 N -0.83 0.00 -0.14 1.91 3.20 -1.50 0.16 116.97 119.76 2fuh h TYR 134 Ca -0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2fuh h TYR 134 Cb 0.76 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 2fuh h TYR 134 CO 0.20 0.00 -0.15 -0.97 -1.64 0.00 0.00 178.16 175.59 2fuh h ASN 135 N 0.00 0.37 0.27 -2.11 -1.24 -1.51 -2.50 115.58 108.86 2fuh h ASN 135 Ca 0.43 -0.49 -0.15 0.00 0.71 0.00 0.00 56.30 56.80 2fuh h ASN 135 Cb 2.06 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 41.00 2fuh h ASN 135 CO -0.00 0.79 -0.57 0.08 -1.29 0.00 0.00 177.43 176.43 2fuh h ARG 136 N -0.04 0.31 -0.05 6.67 0.11 -0.80 -2.96 114.38 117.63 2fuh h ARG 136 Ca 0.02 -0.20 -0.08 0.00 0.10 0.00 0.00 59.98 59.82 2fuh h ARG 136 Cb 0.69 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 2fuh h ARG 136 CO 0.04 0.80 -0.34 0.82 0.10 0.00 0.00 179.97 181.39 2fuh h ILE 137 N 0.24 1.26 0.29 0.08 2.04 -1.33 -1.07 117.51 119.01 2fuh h ILE 137 Ca -0.00 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 2fuh h ILE 137 Cb 1.08 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2fuh h ILE 137 CO 0.09 0.36 -0.14 -1.28 0.00 0.00 0.00 178.15 177.19 2fuh h SER 138 N 0.08 -0.33 0.61 1.72 0.87 -1.28 -2.60 113.55 112.62 2fuh h SER 138 Ca 0.01 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 2fuh h SER 138 Cb 0.64 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2fuh h SER 138 CO 0.05 0.10 -0.20 0.08 -0.53 0.00 0.00 176.83 176.33 2fuh h ARG 139 N -0.83 0.00 0.00 2.24 0.11 -1.53 -3.08 114.38 111.30 2fuh h ARG 139 Ca -0.04 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 2fuh h ARG 139 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2fuh h ARG 139 CO 0.06 0.20 -0.00 0.93 0.10 0.00 0.00 179.97 181.26 2fuh h GLU 140 N 0.00 -0.01 0.00 0.08 5.08 -1.18 -2.76 114.58 115.80 2fuh h GLU 140 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2fuh h GLU 140 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2fuh h GLU 140 CO 0.03 0.40 0.00 0.91 -1.00 0.00 0.00 179.01 179.35 2fuh n TRP 141 N -4.90 0.00 0.05 4.33 7.02 -0.98 -2.99 117.44 119.97 2fuh n TRP 141 Ca -0.08 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.36 2fuh n TRP 141 Cb 0.22 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.09 2fuh n TRP 141 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 2fuh h THR 142 N 0.00 0.00 -0.10 -0.99 2.02 -1.40 -3.20 112.91 109.24 2fuh h THR 142 Ca 0.00 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 2fuh h THR 142 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2fuh h THR 142 CO 0.00 0.00 -0.24 -0.61 0.37 0.00 0.00 175.52 175.04 2fuh h GLN 143 N -1.01 0.17 -0.52 6.66 4.15 -1.64 1.69 115.11 124.61 2fuh h GLN 143 Ca -0.02 -0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.44 2fuh h GLN 143 Cb 0.17 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.77 2fuh h GLN 143 CO 0.04 0.40 0.04 -0.22 -1.93 0.00 0.00 178.83 177.16 2fuh h LYS 144 N 0.15 0.16 0.00 1.69 3.64 -1.64 -3.29 116.57 117.28 2fuh h LYS 144 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2fuh h LYS 144 Cb 0.51 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2fuh h LYS 144 CO 0.04 0.10 -0.34 0.66 -2.27 0.00 0.00 179.45 177.64 2fuh n TYR 145 N -5.19 0.00 0.24 1.91 4.01 -1.12 -4.80 117.16 112.21 2fuh n TYR 145 Ca 0.06 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.91 2fuh n TYR 145 Cb 0.27 0.00 0.61 0.00 -0.31 0.00 0.00 39.34 39.91 2fuh n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2fuh h ALA 146 N 0.00 1.18 0.00 -0.72 0.00 0.22 -3.50 119.26 116.44 2fuh h ALA 146 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2fuh h ALA 146 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2fuh h ALA 146 CO 0.00 0.22 0.00 -1.33 0.00 0.00 0.00 179.25 178.14