#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 0.00 -0.12 0.00 3.38 -1.99 -1.81 115.31 114.77 2fuh h LEU 3 Ca 0.00 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2fuh h LEU 3 Cb 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2fuh h LEU 3 CO 0.00 0.39 -0.85 0.07 0.09 0.00 0.00 178.44 178.14 2fuh h LYS 4 N 0.00 0.78 -0.25 1.13 2.10 -2.06 -1.40 116.57 116.86 2fuh h LYS 4 Ca -0.00 -0.68 -0.03 0.00 -2.00 0.00 0.00 60.65 57.93 2fuh h LYS 4 Cb 0.69 0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 2fuh h LYS 4 CO 0.05 1.28 0.03 0.00 -2.00 0.00 0.00 179.45 178.81 2fuh h ARG 5 N 0.51 0.43 -0.38 0.07 -0.00 -1.96 -2.77 114.38 110.28 2fuh h ARG 5 Ca -0.07 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.98 59.27 2fuh h ARG 5 Cb 1.49 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 31.39 2fuh h ARG 5 CO 0.17 0.56 0.15 0.82 0.00 0.00 0.00 179.97 181.68 2fuh h ILE 6 N 0.23 1.19 -0.71 2.04 2.04 -1.38 -2.18 117.51 118.74 2fuh h ILE 6 Ca 0.08 -0.59 0.20 0.00 1.00 0.00 0.00 64.86 65.55 2fuh h ILE 6 Cb 0.35 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2fuh h ILE 6 CO 0.01 0.21 0.51 0.78 0.00 0.00 0.00 178.15 179.66 2fuh h ASN 7 N 0.47 0.02 -0.02 1.72 -0.26 -1.16 0.37 115.58 116.71 2fuh h ASN 7 Ca 0.13 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.78 2fuh h ASN 7 Cb 0.19 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 2fuh h ASN 7 CO -0.01 0.01 -0.23 0.50 -1.06 0.00 0.00 177.43 176.63 2fuh h LYS 8 N 0.02 0.42 -0.03 0.81 3.64 -1.10 -2.95 116.57 117.38 2fuh h LYS 8 Ca 0.34 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2fuh h LYS 8 Cb 1.33 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2fuh h LYS 8 CO -0.01 0.63 -0.03 1.49 -2.27 0.00 0.00 179.45 179.26 2fuh h GLU 9 N 0.37 0.07 -0.25 1.90 4.81 -0.26 -2.82 114.58 118.40 2fuh h GLU 9 Ca 0.06 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2fuh h GLU 9 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2fuh h GLU 9 CO 0.04 0.53 0.43 1.25 -0.73 0.00 0.00 179.01 180.52 2fuh h LEU 10 N -0.39 0.00 -0.74 1.64 6.46 -1.37 0.21 115.31 121.12 2fuh h LEU 10 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2fuh h LEU 10 Cb 0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2fuh h LEU 10 CO 0.01 0.00 0.29 -1.28 -0.62 0.00 0.00 178.44 176.84 2fuh h SER 11 N 0.00 1.02 0.32 1.25 0.87 -1.32 0.12 113.55 115.81 2fuh h SER 11 Ca 0.12 -0.17 -0.26 0.00 -1.23 0.00 0.00 61.79 60.24 2fuh h SER 11 Cb 0.97 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2fuh h SER 11 CO -0.00 0.92 -1.12 0.44 -0.53 0.00 0.00 176.83 176.54 2fuh h ASP 12 N 1.06 0.64 0.67 6.23 5.19 -0.70 -2.97 116.42 126.55 2fuh h ASP 12 Ca 0.25 -0.57 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 2fuh h ASP 12 Cb 0.22 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.53 2fuh h ASP 12 CO -0.02 1.40 -0.32 0.25 -3.12 0.00 0.00 179.24 177.42 2fuh h LEU 13 N 0.22 -0.77 -1.95 1.55 5.85 -1.23 -2.89 115.31 116.08 2fuh h LEU 13 Ca -0.13 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.80 2fuh h LEU 13 Cb 1.79 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.99 2fuh h LEU 13 CO 0.20 -0.43 0.54 0.00 -0.34 0.00 0.00 178.44 178.41 2fuh h ALA 14 N -1.35 2.46 -0.89 1.25 0.00 -0.90 0.24 119.26 120.07 2fuh h ALA 14 Ca -0.09 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2fuh h ALA 14 Cb 0.69 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2fuh h ALA 14 CO 0.15 -0.87 0.58 -0.09 0.00 0.00 0.00 179.25 179.03 2fuh h ARG 15 N 0.00 1.06 -0.36 0.00 9.65 -1.33 -3.40 114.38 119.99 2fuh h ARG 15 Ca 0.30 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.16 2fuh h ARG 15 Cb 1.38 -0.24 -0.17 0.00 -1.39 0.00 0.00 29.97 29.55 2fuh h ARG 15 CO -0.00 0.70 -0.19 0.34 2.80 0.00 0.00 179.97 183.62 2fuh s ASP 16 N -6.12 -0.55 0.13 -3.80 2.15 0.76 -5.11 116.67 104.13 2fuh s ASP 16 Ca -0.12 -0.42 -0.34 0.00 0.43 0.00 0.00 52.55 52.10 2fuh s ASP 16 Cb 0.19 0.71 -0.17 0.00 -0.30 0.00 0.00 42.92 43.35 2fuh s ASP 16 CO 0.80 -0.04 1.12 -2.65 -0.17 0.00 0.00 175.17 174.22 2fuh n PRO 17 N 3.37 0.86 -1.64 4.34 -0.02 -0.63 -4.80 135.00 136.47 2fuh n PRO 17 Ca 0.09 0.31 -0.50 0.00 -2.02 0.00 0.00 63.50 61.37 2fuh n PRO 17 Cb 0.62 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 2fuh n PRO 17 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2fuh n PRO 18 N 1.76 1.60 0.08 0.52 -0.02 -1.26 -4.88 135.00 132.80 2fuh n PRO 18 Ca 0.17 0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 62.14 2fuh n PRO 18 Cb 0.21 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 2fuh n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fuh h ALA 19 N 5.85 0.57 0.00 3.55 0.00 -2.00 -2.85 119.26 124.38 2fuh h ALA 19 Ca -0.47 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 53.75 2fuh h ALA 19 Cb 1.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2fuh h ALA 19 CO 0.86 0.88 -0.04 0.37 0.00 0.00 0.00 179.25 181.32 2fuh h GLN 20 N 0.13 0.00 -2.85 0.00 4.15 -1.98 -3.41 115.11 111.15 2fuh h GLN 20 Ca -0.04 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.76 2fuh h GLN 20 Cb 1.44 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.72 2fuh h GLN 20 CO 0.13 0.39 -0.52 0.00 -1.93 0.00 0.00 178.83 176.90 2fuh n SER 22 N 1.66 3.09 -3.35 0.00 7.64 -1.07 -4.59 113.62 116.99 2fuh n SER 22 Ca 0.23 1.16 -0.11 0.00 1.01 0.00 0.00 58.87 61.16 2fuh n SER 22 Cb 0.37 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 2fuh n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fuh s ALA 23 N -1.16 -0.13 0.00 -0.43 0.00 -1.26 -2.88 121.76 115.90 2fuh s ALA 23 Ca 0.58 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2fuh s ALA 23 Cb -0.50 0.95 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2fuh s ALA 23 CO 0.60 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2fuh n GLY 24 N -0.51 0.80 3.78 0.00 0.00 -1.09 -4.90 105.19 103.28 2fuh n GLY 24 Ca -0.03 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.00 4.09 0.45 1.61 0.04 -1.26 -2.85 135.00 135.08 2fuh s PRO 25 Ca 0.00 1.66 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 2fuh s PRO 25 Cb 0.00 -2.59 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 2fuh s PRO 25 CO 0.00 -0.24 0.96 0.08 0.04 0.00 0.00 177.00 177.85 2fuh s VAL 26 N -1.54 4.34 -0.73 -0.36 1.01 -1.10 -4.93 120.40 117.08 2fuh s VAL 26 Ca 0.58 1.41 0.18 0.00 0.00 0.00 0.00 61.98 64.15 2fuh s VAL 26 Cb -0.26 -3.60 0.17 0.00 0.00 0.00 0.00 36.38 32.70 2fuh s VAL 26 CO 0.32 -0.36 1.55 0.61 0.00 0.00 0.00 175.10 177.22 2fuh n GLY 27 N -0.71 -1.07 0.18 4.51 0.00 -1.26 -3.01 105.19 103.82 2fuh n GLY 27 Ca 0.07 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2fuh n GLY 27 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2fuh h ASP 28 N 0.00 -0.29 -3.44 1.61 3.58 -1.92 -3.48 116.42 112.47 2fuh h ASP 28 Ca 0.00 -0.23 0.10 0.00 0.42 0.00 0.00 57.03 57.32 2fuh h ASP 28 Cb 0.26 0.08 -0.26 0.00 1.72 0.00 0.00 39.33 41.13 2fuh h ASP 28 CO 0.00 0.14 0.58 -0.62 -2.88 0.00 0.00 179.24 176.47 2fuh s ASP 29 N -5.22 -0.34 0.45 2.28 2.15 -1.16 -5.01 116.67 109.82 2fuh s ASP 29 Ca -0.13 0.52 0.31 0.00 0.43 0.00 0.00 52.55 53.67 2fuh s ASP 29 Cb 0.01 0.48 1.54 0.00 -0.30 0.00 0.00 42.92 44.65 2fuh s ASP 29 CO 0.51 -0.20 1.93 0.24 -0.17 0.00 0.00 175.17 177.48 2fuh h MET 30 N 3.23 0.00 0.00 4.34 2.86 -1.93 -1.49 114.93 121.94 2fuh h MET 30 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2fuh h MET 30 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2fuh h MET 30 CO 0.21 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.37 2fuh n PHE 31 N -2.62 0.00 -3.67 -0.22 3.01 -1.26 -4.55 117.46 108.16 2fuh n PHE 31 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 2fuh n PHE 31 Cb 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.47 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 -2.00 -0.50 0.35 1.38 3.76 -0.56 -3.92 115.29 113.80 2fuh s HIS 32 Ca 0.05 1.08 0.08 0.00 -0.15 0.00 0.00 55.06 56.13 2fuh s HIS 32 Cb 0.02 0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.71 2fuh s HIS 32 CO 0.04 -0.37 0.15 -1.58 -0.85 0.00 0.00 174.74 172.12 2fuh s TRP 33 N 2.37 2.69 -0.07 1.40 0.52 -0.83 -2.71 118.94 122.30 2fuh s TRP 33 Ca -0.00 -0.42 -0.08 0.00 0.02 0.00 0.00 56.10 55.62 2fuh s TRP 33 Cb -0.12 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 2fuh s TRP 33 CO -0.09 0.31 0.22 -0.65 0.02 0.00 0.00 176.95 176.75 2fuh s GLN 34 N -3.86 0.31 0.41 4.98 -0.21 -1.13 -1.43 119.66 118.73 2fuh s GLN 34 Ca 0.38 0.20 0.04 0.00 0.02 0.00 0.00 55.36 56.01 2fuh s GLN 34 Cb -0.02 0.14 -0.05 0.00 1.00 0.00 0.00 33.01 34.09 2fuh s GLN 34 CO 0.23 -0.05 0.04 0.00 -2.12 0.00 0.00 175.29 173.39 2fuh s ALA 35 N -0.13 3.14 -0.03 6.09 0.00 -1.18 -2.66 121.76 126.98 2fuh s ALA 35 Ca -0.02 -1.62 -0.07 0.00 0.00 0.00 0.00 51.96 50.25 2fuh s ALA 35 Cb -0.02 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.47 2fuh s ALA 35 CO 0.01 -0.18 0.16 0.99 0.00 0.00 0.00 175.76 176.74 2fuh s THR 36 N -2.99 0.05 0.03 0.00 2.01 -1.14 -3.42 115.64 110.18 2fuh s THR 36 Ca 0.27 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2fuh s THR 36 Cb 0.07 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 2fuh s THR 36 CO 0.13 -0.21 0.08 0.27 -0.69 0.00 0.00 174.62 174.21 2fuh s ILE 37 N -0.72 0.13 -0.01 1.82 -4.36 -1.24 -4.15 121.20 112.68 2fuh s ILE 37 Ca -0.08 -1.06 0.02 0.00 -0.26 0.00 0.00 60.65 59.27 2fuh s ILE 37 Cb -0.05 -0.80 -0.00 0.00 1.25 0.00 0.00 42.46 42.86 2fuh s ILE 37 CO 0.01 -0.58 -0.08 -0.32 0.24 0.00 0.00 174.94 174.21 2fuh s MET 38 N -2.39 0.66 -0.76 0.37 1.75 -1.26 -3.32 119.30 114.34 2fuh s MET 38 Ca -0.07 -0.27 -0.37 0.00 -1.25 0.00 0.00 55.69 53.73 2fuh s MET 38 Cb -0.02 -0.63 -0.20 0.00 2.84 0.00 0.00 34.83 36.81 2fuh s MET 38 CO -0.04 0.15 2.44 0.41 -0.65 0.00 0.00 175.02 177.33 2fuh n GLY 39 N 2.97 -0.32 0.00 2.11 0.00 -1.25 -4.65 105.19 104.04 2fuh n GLY 39 Ca -0.14 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 8.05 0.00 -1.71 1.61 -0.02 -1.26 -4.57 135.00 137.10 2fuh n PRO 40 Ca 0.60 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2fuh n PRO 40 Cb 0.01 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.69 -0.89 0.00 2.55 4.05 -1.26 -4.91 115.26 114.11 2fuh n ASN 41 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2fuh n ASN 41 Cb 0.00 -0.43 0.00 0.00 1.23 0.00 0.00 39.78 40.58 2fuh n ASN 41 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2fuh n ASP 42 N 1.72 0.64 -4.83 1.20 8.00 -1.26 -5.08 116.55 116.94 2fuh n ASP 42 Ca 0.00 -0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.17 2fuh n ASP 42 Cb 0.42 0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 2fuh n ASP 42 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2fuh s SER 43 N -0.27 5.89 0.47 -2.24 0.01 -1.26 -4.98 113.70 111.32 2fuh s SER 43 Ca 0.00 0.18 0.36 0.00 1.31 0.00 0.00 55.95 57.80 2fuh s SER 43 Cb 0.00 -1.73 1.53 0.00 0.21 0.00 0.00 66.02 66.03 2fuh s SER 43 CO 0.00 0.24 1.59 -0.65 0.41 0.00 0.00 173.24 174.83 2fuh h PRO 44 N 3.79 0.02 -2.35 12.44 0.11 -1.98 -2.16 132.00 141.87 2fuh h PRO 44 Ca -0.48 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2fuh h PRO 44 Cb 1.18 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2fuh h PRO 44 CO 0.66 0.01 -0.03 0.66 -0.21 0.00 0.00 178.00 179.10 2fuh n TYR 45 N -4.56 0.00 -2.35 0.65 4.01 -1.26 -4.65 117.16 109.00 2fuh n TYR 45 Ca 0.40 -0.86 -0.43 0.00 -0.16 0.00 0.00 57.90 56.85 2fuh n TYR 45 Cb 1.63 -1.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.60 2fuh n TYR 45 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2fuh s GLN 46 N 1.69 4.10 0.00 -0.72 -0.21 -0.81 -3.09 119.66 120.62 2fuh s GLN 46 Ca 0.35 1.61 0.00 0.00 0.02 0.00 0.00 55.36 57.34 2fuh s GLN 46 Cb 0.17 -3.84 0.00 0.00 1.00 0.00 0.00 33.01 30.34 2fuh s GLN 46 CO 0.00 -0.88 0.00 0.41 -2.12 0.00 0.00 175.29 172.70 2fuh n GLY 47 N 3.94 2.54 3.71 3.09 0.00 -1.26 -5.00 105.19 112.21 2fuh n GLY 47 Ca 0.15 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.22 1.26 0.13 -0.02 0.00 -1.18 -4.89 107.32 101.41 2fuh s GLY 48 Ca 0.00 1.54 -0.12 0.00 0.00 0.00 0.00 44.72 46.14 2fuh s GLY 48 CO 0.00 2.94 0.48 -1.34 0.00 0.00 0.00 173.10 175.18 2fuh s VAL 49 N 1.63 4.97 0.10 1.40 -7.23 -1.25 -4.02 120.40 116.00 2fuh s VAL 49 Ca 0.76 0.61 0.04 0.00 -1.81 0.00 0.00 61.98 61.58 2fuh s VAL 49 Cb -0.48 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 32.74 2fuh s VAL 49 CO 0.33 0.23 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.88 2fuh s PHE 50 N -1.47 1.12 0.01 2.82 0.40 -1.21 -4.78 117.98 114.87 2fuh s PHE 50 Ca 0.37 -0.63 -0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2fuh s PHE 50 Cb -0.14 -0.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.77 2fuh s PHE 50 CO 0.19 0.03 -0.01 0.12 0.70 0.00 0.00 175.22 176.24 2fuh s PHE 51 N -2.33 0.16 0.21 0.36 2.19 -1.26 -3.59 117.98 113.71 2fuh s PHE 51 Ca 0.05 -0.32 -0.00 0.00 0.33 0.00 0.00 56.93 56.99 2fuh s PHE 51 Cb -0.04 -0.11 -0.04 0.00 -1.31 0.00 0.00 43.02 41.52 2fuh s PHE 51 CO 0.01 -0.12 0.10 -0.48 1.83 0.00 0.00 175.22 176.56 2fuh s LEU 52 N -0.90 1.44 0.20 6.12 2.34 -1.22 -3.05 118.68 123.62 2fuh s LEU 52 Ca -0.10 -1.35 0.07 0.00 0.06 0.00 0.00 54.13 52.81 2fuh s LEU 52 Cb -0.06 0.23 -0.05 0.00 -0.56 0.00 0.00 46.19 45.75 2fuh s LEU 52 CO -0.01 -0.77 -0.12 -0.89 -1.06 0.00 0.00 176.35 173.50 2fuh s THR 53 N -3.99 1.57 -0.02 5.48 2.01 -0.38 -3.13 115.64 117.18 2fuh s THR 53 Ca 0.36 -2.16 0.01 0.00 0.31 0.00 0.00 61.69 60.20 2fuh s THR 53 Cb 0.07 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.53 2fuh s THR 53 CO 0.11 -0.58 -0.01 -0.63 -0.69 0.00 0.00 174.62 172.82 2fuh s ILE 54 N -3.08 0.19 0.15 1.82 1.09 -0.51 -1.83 121.20 119.03 2fuh s ILE 54 Ca 0.22 0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.86 2fuh s ILE 54 Cb 0.01 -0.24 -0.04 0.00 -1.06 0.00 0.00 42.46 41.13 2fuh s ILE 54 CO 0.06 0.11 -0.05 -2.28 -0.10 0.00 0.00 174.94 172.68 2fuh s HIS 55 N 0.61 2.78 -0.03 3.97 2.46 -0.85 -1.97 115.29 122.25 2fuh s HIS 55 Ca -0.06 -0.15 0.07 0.00 0.47 0.00 0.00 55.06 55.39 2fuh s HIS 55 Cb -0.09 -1.39 -0.02 0.00 -0.13 0.00 0.00 32.58 30.96 2fuh s HIS 55 CO -0.01 0.49 -0.25 -0.06 -2.47 0.00 0.00 174.74 172.44 2fuh s PHE 56 N -1.54 2.30 0.07 3.88 0.40 -1.25 -3.60 117.98 118.23 2fuh s PHE 56 Ca 0.25 -0.54 -0.30 0.00 -0.60 0.00 0.00 56.93 55.74 2fuh s PHE 56 Cb -0.10 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 2fuh s PHE 56 CO 0.16 -0.11 1.05 -1.25 0.70 0.00 0.00 175.22 175.77 2fuh s PRO 57 N -0.40 4.56 0.00 0.24 0.04 -1.26 -4.88 135.00 133.30 2fuh s PRO 57 Ca 0.04 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2fuh s PRO 57 Cb -0.11 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2fuh s PRO 57 CO 0.01 -0.03 0.74 0.25 0.04 0.00 0.00 177.00 178.01 2fuh n THR 58 N 3.43 1.11 -0.37 1.26 -2.24 -1.26 -0.18 114.28 116.02 2fuh n THR 58 Ca 0.05 0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 62.19 2fuh n THR 58 Cb 0.49 -1.37 0.24 0.00 -2.10 0.00 0.00 70.33 67.59 2fuh n THR 58 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fuh n ASP 59 N -1.24 4.06 -0.60 3.42 -0.08 -1.26 -4.88 116.55 115.98 2fuh n ASP 59 Ca 0.00 -2.77 0.01 0.00 -1.51 0.00 0.00 54.79 50.52 2fuh n ASP 59 Cb 0.09 -0.66 -0.01 0.00 2.34 0.00 0.00 41.12 42.88 2fuh n ASP 59 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2fuh n TYR 60 N 0.13 -1.62 0.30 -0.67 4.01 0.74 -4.28 117.16 115.77 2fuh n TYR 60 Ca 0.25 0.88 0.10 0.00 -0.16 0.00 0.00 57.90 58.98 2fuh n TYR 60 Cb 1.02 -1.63 0.50 0.00 -0.31 0.00 0.00 39.34 38.92 2fuh n TYR 60 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2fuh h PRO 61 N -0.06 0.00 0.00 -0.72 0.13 -1.93 -1.00 132.00 128.42 2fuh h PRO 61 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2fuh h PRO 61 Cb 0.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2fuh h PRO 61 CO 0.01 0.00 0.47 0.74 -0.23 0.00 0.00 178.00 178.99 2fuh h PHE 62 N 0.00 0.00 -3.44 1.56 -1.00 -1.93 -3.36 116.94 108.77 2fuh h PHE 62 Ca 0.03 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.15 2fuh h PHE 62 Cb 1.25 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 40.61 2fuh h PHE 62 CO 0.00 0.00 -0.68 0.15 -1.61 0.00 0.00 178.31 176.17 2fuh s LYS 63 N -3.22 3.26 -0.21 1.51 3.01 -0.38 -5.00 119.74 118.72 2fuh s LYS 63 Ca -0.01 -0.54 -0.36 0.00 -1.01 0.00 0.00 55.97 54.05 2fuh s LYS 63 Cb 0.02 -2.76 -0.13 0.00 -1.01 0.00 0.00 37.83 33.96 2fuh s LYS 63 CO 0.08 0.43 1.92 -2.30 0.51 0.00 0.00 175.35 175.98 2fuh n PRO 64 N 2.95 1.64 -1.74 -1.68 -0.02 -1.26 -4.73 135.00 130.17 2fuh n PRO 64 Ca -0.18 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.59 2fuh n PRO 64 Cb 0.53 -2.47 0.13 0.00 -0.02 0.00 0.00 33.50 31.67 2fuh n PRO 64 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2fuh s PRO 65 N 4.47 1.25 -0.16 0.52 0.04 -1.26 -4.91 135.00 134.95 2fuh s PRO 65 Ca 0.98 0.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 2fuh s PRO 65 Cb -0.83 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 2fuh s PRO 65 CO 0.55 -2.08 -0.05 0.15 0.04 0.00 0.00 177.00 175.61 2fuh s LYS 66 N -5.53 3.58 -0.31 4.56 1.02 -1.24 -5.01 119.74 116.82 2fuh s LYS 66 Ca 0.65 -0.56 -0.09 0.00 0.02 0.00 0.00 55.97 55.99 2fuh s LYS 66 Cb -0.11 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2fuh s LYS 66 CO 0.52 0.15 0.14 0.14 -0.92 0.00 0.00 175.35 175.38 2fuh s VAL 67 N 0.58 4.57 0.28 3.17 -7.23 -1.26 -2.01 120.40 118.50 2fuh s VAL 67 Ca -0.03 -0.40 0.07 0.00 -1.81 0.00 0.00 61.98 59.80 2fuh s VAL 67 Cb -0.15 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 2fuh s VAL 67 CO 0.03 0.09 0.25 0.00 -0.31 0.00 0.00 175.10 175.16 2fuh s ALA 68 N 1.61 3.72 -0.20 1.32 0.00 -0.76 -4.26 121.76 123.18 2fuh s ALA 68 Ca 0.05 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 2fuh s ALA 68 Cb -0.17 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.69 2fuh s ALA 68 CO 0.06 0.17 -0.03 0.12 0.00 0.00 0.00 175.76 176.08 2fuh s PHE 69 N -2.17 1.84 0.07 0.00 2.19 -1.20 -1.25 117.98 117.45 2fuh s PHE 69 Ca 0.36 -1.33 -0.21 0.00 0.33 0.00 0.00 56.93 56.08 2fuh s PHE 69 Cb -0.07 -1.36 -0.12 0.00 -1.31 0.00 0.00 43.02 40.16 2fuh s PHE 69 CO 0.26 -0.69 1.56 1.79 1.83 0.00 0.00 175.22 179.98 2fuh h THR 70 N 6.55 1.20 -3.43 0.12 1.35 -1.88 -3.39 112.91 113.42 2fuh h THR 70 Ca -0.19 -0.61 -0.54 0.00 -0.55 0.00 0.00 66.41 64.51 2fuh h THR 70 Cb 1.10 1.34 -0.04 0.00 -1.73 0.00 0.00 68.15 68.81 2fuh h THR 70 CO 0.39 0.18 0.14 -0.89 -0.25 0.00 0.00 175.52 175.09 2fuh s THR 71 N -5.31 4.64 -0.38 6.82 2.01 -1.17 -5.02 115.64 117.24 2fuh s THR 71 Ca -0.14 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.17 2fuh s THR 71 Cb 0.06 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.50 2fuh s THR 71 CO 0.70 0.42 1.09 -0.13 -0.69 0.00 0.00 174.62 176.02 2fuh s ARG 72 N -0.43 3.94 -0.16 4.92 0.52 -1.26 -4.90 118.95 121.58 2fuh s ARG 72 Ca 0.37 0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 56.44 2fuh s ARG 72 Cb -0.21 -3.80 -0.02 0.00 0.52 0.00 0.00 34.95 31.45 2fuh s ARG 72 CO 0.23 -1.07 -0.08 -1.50 0.02 0.00 0.00 175.30 172.90 2fuh s ILE 73 N 3.93 3.37 -0.80 1.52 2.07 -1.26 -4.93 121.20 125.10 2fuh s ILE 73 Ca 0.46 -0.53 -0.26 0.00 -1.41 0.00 0.00 60.65 58.91 2fuh s ILE 73 Cb -0.10 -2.47 0.01 0.00 0.13 0.00 0.00 42.46 40.03 2fuh s ILE 73 CO 0.21 0.49 1.53 -0.47 -1.91 0.00 0.00 174.94 174.78 2fuh s TYR 74 N 0.69 2.15 -0.21 3.50 5.04 -1.26 -4.73 117.35 122.53 2fuh s TYR 74 Ca -0.04 0.03 -0.09 0.00 -2.44 0.00 0.00 57.07 54.52 2fuh s TYR 74 Cb -0.15 -4.46 0.08 0.00 0.35 0.00 0.00 41.96 37.78 2fuh s TYR 74 CO 0.02 -2.06 0.47 -1.58 -1.34 0.00 0.00 175.55 171.06 2fuh s HIS 75 N 6.80 -0.80 0.28 4.97 2.46 -1.25 -5.01 115.29 122.75 2fuh s HIS 75 Ca 0.49 1.58 -0.03 0.00 0.47 0.00 0.00 55.06 57.57 2fuh s HIS 75 Cb -0.07 0.37 0.59 0.00 -0.13 0.00 0.00 32.58 33.35 2fuh s HIS 75 CO 0.09 -0.45 1.61 -1.35 -2.47 0.00 0.00 174.74 172.17 2fuh h PRO 76 N 7.58 0.08 0.00 2.88 0.11 -1.90 0.91 132.00 141.65 2fuh h PRO 76 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2fuh h PRO 76 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2fuh h PRO 76 CO 0.20 0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.31 2fuh n ASN 77 N -5.39 0.00 -3.98 -2.05 2.04 -1.26 -2.13 115.26 102.49 2fuh n ASN 77 Ca 0.18 0.26 -0.25 0.00 -0.44 0.00 0.00 54.58 54.33 2fuh n ASN 77 Cb 0.61 -0.39 -0.17 0.00 -2.53 0.00 0.00 39.78 37.30 2fuh n ASN 77 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2fuh s ILE 78 N -2.79 1.10 0.53 1.53 1.01 0.31 -3.43 121.20 119.46 2fuh s ILE 78 Ca 0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 2fuh s ILE 78 Cb 0.13 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.57 2fuh s ILE 78 CO 0.32 0.36 0.78 0.21 0.00 0.00 0.00 174.94 176.61 2fuh s ASN 79 N 1.05 5.58 0.44 3.58 3.04 -0.70 -3.79 114.94 124.13 2fuh s ASN 79 Ca -0.07 0.36 0.24 0.00 0.04 0.00 0.00 52.86 53.43 2fuh s ASN 79 Cb -0.15 -1.42 0.79 0.00 -1.54 0.00 0.00 41.25 38.94 2fuh s ASN 79 CO -0.01 -0.96 1.77 0.77 -3.04 0.00 0.00 177.10 175.63 2fuh h SER 80 N 0.10 0.00 0.65 -4.21 4.64 -1.90 -2.67 113.55 110.16 2fuh h SER 80 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2fuh h SER 80 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2fuh h SER 80 CO 0.57 0.18 0.00 -3.20 -0.87 0.00 0.00 176.83 173.52 2fuh n ASN 81 N -3.26 0.02 0.00 4.97 2.85 -1.26 -4.80 115.26 113.77 2fuh n ASN 81 Ca 0.01 0.50 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 2fuh n ASN 81 Cb 0.47 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.98 2fuh n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2fuh n GLY 82 N 0.44 1.24 3.77 8.20 0.00 -1.01 -4.67 105.19 113.16 2fuh n GLY 82 Ca 0.04 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2fuh n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fuh s SER 83 N -2.10 7.18 -0.03 1.61 0.01 -1.25 -3.28 113.70 115.84 2fuh s SER 83 Ca 0.00 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2fuh s SER 83 Cb 0.00 -2.44 0.03 0.00 0.21 0.00 0.00 66.02 63.82 2fuh s SER 83 CO 0.00 0.12 -0.00 -0.63 0.41 0.00 0.00 173.24 173.14 2fuh s ILE 84 N -0.51 0.21 -0.34 1.44 1.01 -1.26 -1.73 121.20 120.02 2fuh s ILE 84 Ca 0.35 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 2fuh s ILE 84 Cb -0.21 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 41.97 2fuh s ILE 84 CO 0.22 0.16 0.18 0.00 0.00 0.00 0.00 174.94 175.50 2fuh s LEU 86 N 1.59 2.27 -0.01 0.00 1.43 -1.26 -5.04 118.68 117.65 2fuh s LEU 86 Ca 0.03 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.31 2fuh s LEU 86 Cb -0.18 -0.15 -0.18 0.00 0.03 0.00 0.00 46.19 45.71 2fuh s LEU 86 CO 0.07 -0.22 1.20 -0.78 0.23 0.00 0.00 176.35 176.84 2fuh h ASP 87 N 4.41 -0.15 0.00 2.29 3.58 -1.97 -2.81 116.42 121.78 2fuh h ASP 87 Ca -0.36 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 56.75 2fuh h ASP 87 Cb 1.20 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2fuh h ASP 87 CO 0.42 0.30 0.20 2.30 -2.88 0.00 0.00 179.24 179.58 2fuh n ILE 88 N -4.96 1.06 0.11 2.25 -6.64 -1.26 0.09 119.36 110.01 2fuh n ILE 88 Ca -0.09 0.60 -0.18 0.00 -1.77 0.00 0.00 62.75 61.31 2fuh n ILE 88 Cb 0.25 -1.60 -0.13 0.00 -1.44 0.00 0.00 39.64 36.72 2fuh n ILE 88 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 2fuh h LEU 89 N 0.00 0.61 0.00 7.28 5.85 -1.83 -3.05 115.31 124.17 2fuh h LEU 89 Ca 0.00 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2fuh h LEU 89 Cb 0.41 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2fuh h LEU 89 CO 0.00 1.46 0.00 0.54 -0.34 0.00 0.00 178.44 180.10 2fuh n ARG 90 N -3.65 0.17 -0.43 1.25 1.74 0.11 -4.55 116.66 111.32 2fuh n ARG 90 Ca -0.11 0.00 0.40 0.00 -0.77 0.00 0.00 57.85 57.37 2fuh n ARG 90 Cb 1.01 0.00 0.66 0.00 -1.02 0.00 0.00 32.46 33.11 2fuh n ARG 90 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2fuh h SER 91 N -0.34 0.00 0.00 0.55 0.02 -1.89 1.09 113.55 112.98 2fuh h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fuh h SER 91 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2fuh h SER 91 CO 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 176.83 175.71 2fuh n GLN 92 N -3.68 0.00 -2.22 3.45 1.13 -1.26 -4.47 117.38 110.33 2fuh n GLN 92 Ca 0.32 0.18 -0.40 0.00 -1.94 0.00 0.00 57.00 55.16 2fuh n GLN 92 Cb 1.67 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 30.47 2fuh n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2fuh s TRP 93 N -2.31 1.97 -0.27 1.08 -0.11 0.38 -4.80 118.94 114.88 2fuh s TRP 93 Ca 0.00 0.55 -0.23 0.00 1.22 0.00 0.00 56.10 57.64 2fuh s TRP 93 Cb 0.00 -4.27 -0.01 0.00 -1.50 0.00 0.00 33.47 27.70 2fuh s TRP 93 CO 0.00 -2.24 0.77 -1.12 -4.62 0.00 0.00 176.95 169.75 2fuh s SER 94 N 6.04 6.71 0.00 5.86 0.01 -1.26 -4.90 113.70 126.16 2fuh s SER 94 Ca 0.59 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2fuh s SER 94 Cb -0.13 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2fuh s SER 94 CO 0.23 -0.53 0.62 -2.65 0.41 0.00 0.00 173.24 171.32 2fuh n PRO 95 N 6.03 0.00 -0.72 12.44 -0.02 -1.26 0.19 135.00 151.67 2fuh n PRO 95 Ca 0.04 0.18 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 2fuh n PRO 95 Cb 0.48 -1.70 0.20 0.00 -0.02 0.00 0.00 33.50 32.46 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 -1.12 4.03 -2.82 3.55 0.00 -1.26 -4.95 120.51 117.93 2fuh n ALA 96 Ca 0.00 -3.12 -0.29 0.00 0.00 0.00 0.00 53.44 50.03 2fuh n ALA 96 Cb 0.20 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -3.21 3.95 0.20 0.00 0.05 0.13 -5.12 118.68 114.68 2fuh s LEU 97 Ca 0.42 0.02 0.04 0.00 0.05 0.00 0.00 54.13 54.67 2fuh s LEU 97 Cb 0.39 -2.59 -0.03 0.00 -2.05 0.00 0.00 46.19 41.91 2fuh s LEU 97 CO -0.01 0.13 0.27 0.28 -0.55 0.00 0.00 176.35 176.46 2fuh s THR 98 N -1.56 5.02 0.14 5.48 -1.32 -1.26 -4.95 115.64 117.19 2fuh s THR 98 Ca 0.31 -0.96 0.28 0.00 -1.21 0.00 0.00 61.69 60.11 2fuh s THR 98 Cb -0.12 -3.64 0.30 0.00 -1.51 0.00 0.00 72.50 67.53 2fuh s THR 98 CO 0.24 -0.21 1.91 -0.29 -2.21 0.00 0.00 174.62 174.06 2fuh h ILE 99 N 1.54 0.33 -0.35 5.08 6.09 -2.00 -3.20 117.51 125.00 2fuh h ILE 99 Ca -0.49 -0.83 0.07 0.00 -1.37 0.00 0.00 64.86 62.24 2fuh h ILE 99 Cb 1.21 1.63 -0.07 0.00 0.47 0.00 0.00 36.82 40.07 2fuh h ILE 99 CO 0.64 0.12 -0.08 0.28 -3.07 0.00 0.00 178.15 176.04 2fuh h SER 100 N 0.00 -0.32 -0.45 2.19 0.02 -1.96 -1.42 113.55 111.61 2fuh h SER 100 Ca -0.00 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2fuh h SER 100 Cb 0.62 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2fuh h SER 100 CO 0.02 -0.11 0.11 0.07 -1.14 0.00 0.00 176.83 175.78 2fuh h LYS 101 N 0.00 0.78 -0.82 3.45 2.10 -1.98 -2.38 116.57 117.73 2fuh h LYS 101 Ca 0.17 -0.16 0.19 0.00 -2.00 0.00 0.00 60.65 58.85 2fuh h LYS 101 Cb 0.26 -0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 31.42 2fuh h LYS 101 CO -0.36 0.71 0.55 0.28 -2.00 0.00 0.00 179.45 178.64 2fuh h VAL 102 N 0.76 0.71 -0.25 0.07 2.07 -1.37 -0.14 116.25 118.09 2fuh h VAL 102 Ca 0.17 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 2fuh h VAL 102 Cb 0.29 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2fuh h VAL 102 CO -0.00 0.06 -0.04 -0.07 0.02 0.00 0.00 177.57 177.54 2fuh h LEU 103 N 0.34 0.48 -1.21 2.57 3.38 -1.20 -2.97 115.31 116.69 2fuh h LEU 103 Ca 0.41 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2fuh h LEU 103 Cb 1.10 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2fuh h LEU 103 CO -0.13 0.71 0.53 -0.07 0.09 0.00 0.00 178.44 179.58 2fuh h LEU 104 N 0.23 0.93 -0.54 1.67 -0.00 -1.08 -1.24 115.31 115.28 2fuh h LEU 104 Ca 0.07 -0.02 0.11 0.00 -0.00 0.00 0.00 57.88 58.03 2fuh h LEU 104 Cb 0.50 -0.23 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 2fuh h LEU 104 CO 0.02 0.67 0.01 0.28 -0.00 0.00 0.00 178.44 179.43 2fuh h SER 105 N 1.09 -0.21 0.18 -0.43 0.02 -1.16 0.70 113.55 113.76 2fuh h SER 105 Ca 0.30 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 2fuh h SER 105 Cb -0.13 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2fuh h SER 105 CO -0.06 -0.07 -0.09 0.40 -1.14 0.00 0.00 176.83 175.87 2fuh h ILE 106 N 0.13 0.87 -0.99 3.27 2.04 -1.41 -0.61 117.51 120.80 2fuh h ILE 106 Ca 0.27 -1.00 0.20 0.00 1.00 0.00 0.00 64.86 65.34 2fuh h ILE 106 Cb 0.42 1.40 -0.10 0.00 -0.74 0.00 0.00 36.82 37.80 2fuh h ILE 106 CO -0.44 0.20 0.62 0.00 0.00 0.00 0.00 178.15 178.53 2fuh h SER 108 N 0.66 0.01 -0.51 0.00 0.02 0.42 -3.17 113.55 110.98 2fuh h SER 108 Ca 0.57 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.49 2fuh h SER 108 Cb 1.03 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2fuh h SER 108 CO -0.34 0.84 0.25 0.25 -1.14 0.00 0.00 176.83 176.68 2fuh h LEU 109 N 0.00 0.69 -0.81 5.07 5.85 0.12 -1.67 115.31 124.56 2fuh h LEU 109 Ca -0.01 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 2fuh h LEU 109 Cb 1.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2fuh h LEU 109 CO 0.11 0.59 -0.52 -0.07 -0.34 0.00 0.00 178.44 178.21 2fuh h LEU 110 N 0.76 0.21 -0.03 2.25 3.38 -1.34 -1.26 115.31 119.28 2fuh h LEU 110 Ca 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2fuh h LEU 110 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2fuh h LEU 110 CO -0.02 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2fuh n ASP 112 N -1.57 -2.67 -3.37 0.00 -0.08 -0.92 -5.11 116.55 102.85 2fuh n ASP 112 Ca 0.05 -3.15 -0.07 0.00 -1.51 0.00 0.00 54.79 50.11 2fuh n ASP 112 Cb 0.26 1.53 0.07 0.00 2.34 0.00 0.00 41.12 45.32 2fuh n ASP 112 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2fuh n PRO 113 N 1.91 -0.14 -3.18 -0.67 -0.02 -0.52 -4.76 135.00 127.61 2fuh n PRO 113 Ca 0.12 -0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.05 2fuh n PRO 113 Cb 0.60 -0.88 -0.06 0.00 -0.02 0.00 0.00 33.50 33.14 2fuh n PRO 113 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fuh n ASN 114 N -0.50 -1.05 -3.62 2.55 4.13 -1.26 -5.04 115.26 110.48 2fuh n ASN 114 Ca 0.03 -2.61 -0.41 0.00 1.68 0.00 0.00 54.58 53.27 2fuh n ASN 114 Cb 0.14 0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.38 2fuh n ASN 114 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2fuh n PRO 115 N 2.43 2.68 0.00 3.52 -0.04 -1.26 -3.48 135.00 138.85 2fuh n PRO 115 Ca 0.24 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.37 2fuh n PRO 115 Cb 0.52 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 2fuh n PRO 115 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2fuh n ASP 116 N 5.88 0.00 -3.05 3.54 8.00 -1.26 -4.98 116.55 124.68 2fuh n ASP 116 Ca 0.55 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.89 2fuh n ASP 116 Cb 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 2fuh n ASP 116 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2fuh n ASP 117 N -0.81 1.15 -3.10 -2.24 9.92 -1.23 -5.12 116.55 115.12 2fuh n ASP 117 Ca 0.00 -2.98 -0.17 0.00 -0.53 0.00 0.00 54.79 51.11 2fuh n ASP 117 Cb 0.00 -0.60 0.14 0.00 -0.64 0.00 0.00 41.12 40.02 2fuh n ASP 117 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2fuh n PRO 118 N 0.17 -1.88 0.00 -0.24 -0.04 -1.26 -4.98 135.00 126.77 2fuh n PRO 118 Ca 0.22 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 2fuh n PRO 118 Cb 0.69 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 2fuh n PRO 118 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2fuh n LEU 119 N 0.00 1.18 -3.25 1.53 7.94 -0.90 -4.88 117.00 118.61 2fuh n LEU 119 Ca 0.09 -1.18 -0.20 0.00 -1.11 0.00 0.00 56.01 53.62 2fuh n LEU 119 Cb 0.33 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.21 2fuh n LEU 119 CO 0.23 0.29 -0.18 -0.69 -1.11 0.00 0.00 177.39 175.94 2fuh s VAL 120 N -0.32 -0.14 0.61 1.96 1.01 -1.23 -4.93 120.40 117.36 2fuh s VAL 120 Ca 0.00 -1.82 0.27 0.00 0.00 0.00 0.00 61.98 60.43 2fuh s VAL 120 Cb 0.00 -0.82 0.36 0.00 0.00 0.00 0.00 36.38 35.92 2fuh s VAL 120 CO 0.00 -0.79 1.63 -0.65 0.00 0.00 0.00 175.10 175.29 2fuh h PRO 121 N 5.93 0.00 0.11 2.72 0.11 -1.92 0.41 132.00 139.36 2fuh h PRO 121 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2fuh h PRO 121 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2fuh h PRO 121 CO 0.24 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 179.47 2fuh h GLU 122 N 0.00 -0.14 -0.40 1.05 4.81 -2.00 -1.95 114.58 115.95 2fuh h GLU 122 Ca 0.29 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 2fuh h GLU 122 Cb 1.85 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 2fuh h GLU 122 CO -0.00 0.30 -0.16 0.82 -0.73 0.00 0.00 179.01 179.24 2fuh h ILE 123 N -0.64 1.28 -1.01 2.32 2.04 -1.38 -2.99 117.51 117.13 2fuh h ILE 123 Ca -0.01 -1.29 0.07 0.00 1.00 0.00 0.00 64.86 64.62 2fuh h ILE 123 Cb 0.50 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 2fuh h ILE 123 CO 0.02 0.43 0.65 0.00 0.00 0.00 0.00 178.15 179.26 2fuh h ALA 124 N 0.83 1.40 -0.86 1.87 0.00 -1.27 -0.96 119.26 120.27 2fuh h ALA 124 Ca 0.09 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.10 2fuh h ALA 124 Cb 0.71 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2fuh h ALA 124 CO 0.05 0.45 0.56 0.00 0.00 0.00 0.00 179.25 180.31 2fuh h ARG 125 N 1.18 0.70 0.33 0.00 2.47 -1.20 0.39 114.38 118.26 2fuh h ARG 125 Ca 0.43 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.10 2fuh h ARG 125 Cb 0.17 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2fuh h ARG 125 CO -0.17 0.47 -0.16 0.82 0.56 0.00 0.00 179.97 181.48 2fuh h ILE 126 N 0.72 0.54 -0.15 2.04 1.08 -1.20 -3.20 117.51 117.34 2fuh h ILE 126 Ca 0.42 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2fuh h ILE 126 Cb 0.61 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2fuh h ILE 126 CO -0.18 0.11 0.10 0.22 -0.69 0.00 0.00 178.15 177.71 2fuh h TYR 127 N -0.91 0.19 0.01 1.37 3.20 -1.06 0.47 116.97 120.24 2fuh h TYR 127 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2fuh h TYR 127 Cb 0.52 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2fuh h TYR 127 CO 0.03 0.12 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.35 2fuh h LYS 128 N 0.21 -0.13 0.00 1.82 1.63 -0.23 -3.40 116.57 116.47 2fuh h LYS 128 Ca 0.06 0.01 -0.26 0.00 -0.85 0.00 0.00 60.65 59.60 2fuh h LYS 128 Cb -0.02 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 2fuh h LYS 128 CO -0.01 -0.09 -1.97 0.25 -3.45 0.00 0.00 179.45 174.18 2fuh n THR 129 N -3.05 0.97 -2.69 1.00 -2.24 -1.20 -4.80 114.28 102.27 2fuh n THR 129 Ca -0.02 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 2fuh n THR 129 Cb 0.08 -1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 2fuh n THR 129 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2fuh s ASP 130 N -5.84 6.78 -0.19 3.42 1.11 0.17 -4.70 116.67 117.42 2fuh s ASP 130 Ca -0.23 -2.28 -0.15 0.00 0.18 0.00 0.00 52.55 50.07 2fuh s ASP 130 Cb 0.07 -2.52 -0.21 0.00 1.07 0.00 0.00 42.92 41.33 2fuh s ASP 130 CO 0.37 -1.15 0.19 0.54 1.18 0.00 0.00 175.17 176.30 2fuh n ARG 131 N 7.76 0.63 -0.32 8.23 5.12 -1.24 -2.99 116.66 133.86 2fuh n ARG 131 Ca 0.40 0.43 0.01 0.00 -1.93 0.00 0.00 57.85 56.76 2fuh n ARG 131 Cb 0.47 -1.70 0.15 0.00 -1.16 0.00 0.00 32.46 30.21 2fuh n ARG 131 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2fuh h ASP 132 N -0.62 0.87 0.74 0.55 1.82 -1.93 -1.38 116.42 116.48 2fuh h ASP 132 Ca -0.42 0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.08 2fuh h ASP 132 Cb 1.59 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.41 2fuh h ASP 132 CO -0.13 0.55 -0.77 0.50 -1.61 0.00 0.00 179.24 177.78 2fuh h LYS 133 N 1.00 0.02 -0.75 0.28 3.64 -1.95 -3.24 116.57 115.56 2fuh h LYS 133 Ca 0.38 -0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.92 2fuh h LYS 133 Cb 0.18 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.88 2fuh h LYS 133 CO -0.17 0.78 0.13 -0.92 -2.27 0.00 0.00 179.45 176.99 2fuh h TYR 134 N 0.01 0.19 -0.69 1.91 5.03 -1.15 0.40 116.97 122.67 2fuh h TYR 134 Ca -0.01 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2fuh h TYR 134 Cb 1.36 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.64 2fuh h TYR 134 CO 0.00 -0.15 0.41 -0.91 -1.32 0.00 0.00 178.16 176.20 2fuh h ASN 135 N 0.21 0.82 -0.40 -2.11 -0.26 -1.57 -1.81 115.58 110.46 2fuh h ASN 135 Ca 0.43 -0.05 0.07 0.00 -0.56 0.00 0.00 56.30 56.20 2fuh h ASN 135 Cb 0.76 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 37.75 2fuh h ASN 135 CO -0.57 0.64 0.02 -0.09 -1.06 0.00 0.00 177.43 176.36 2fuh h ARG 136 N 0.95 0.12 -0.03 0.81 9.65 -0.32 0.64 114.38 126.20 2fuh h ARG 136 Ca 0.25 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 59.02 2fuh h ARG 136 Cb -0.03 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 2fuh h ARG 136 CO -0.05 0.08 -0.44 0.82 2.80 0.00 0.00 179.97 183.18 2fuh h ILE 137 N 0.13 1.32 0.28 1.20 5.03 -1.13 -2.15 117.51 122.20 2fuh h ILE 137 Ca 0.20 -1.56 -0.01 0.00 -0.12 0.00 0.00 64.86 63.36 2fuh h ILE 137 Cb 0.27 1.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.86 2fuh h ILE 137 CO -0.31 0.45 -0.13 0.28 -0.68 0.00 0.00 178.15 177.75 2fuh h SER 138 N 0.07 -0.32 -0.29 1.72 0.02 -0.25 -2.30 113.55 112.20 2fuh h SER 138 Ca 0.00 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2fuh h SER 138 Cb 0.82 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2fuh h SER 138 CO 0.06 -0.01 0.32 0.08 -1.14 0.00 0.00 176.83 176.14 2fuh h ARG 139 N -0.81 0.00 0.01 3.45 -0.00 0.13 -0.36 114.38 116.80 2fuh h ARG 139 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2fuh h ARG 139 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 2fuh h ARG 139 CO 0.06 0.00 -0.00 0.93 -0.00 0.00 0.00 179.97 180.96 2fuh h GLU 140 N 0.00 -0.01 0.00 0.08 4.39 -1.41 -3.10 114.58 114.53 2fuh h GLU 140 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2fuh h GLU 140 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2fuh h GLU 140 CO -0.00 0.60 0.00 -1.49 -1.16 0.00 0.00 179.01 176.96 2fuh h TRP 141 N -0.63 0.00 -0.61 4.33 4.06 -0.62 -2.81 115.95 119.67 2fuh h TRP 141 Ca -0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 2fuh h TRP 141 Cb 0.61 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.75 2fuh h TRP 141 CO 0.14 0.00 0.04 1.15 -3.56 0.00 0.00 178.44 176.21 2fuh h THR 142 N 0.00 1.26 0.01 1.49 2.02 -1.04 1.63 112.91 118.28 2fuh h THR 142 Ca 0.00 -1.08 -0.19 0.00 0.77 0.00 0.00 66.41 65.91 2fuh h THR 142 Cb 0.35 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2fuh h THR 142 CO 0.00 0.40 -0.88 -0.61 0.37 0.00 0.00 175.52 174.80 2fuh h GLN 143 N 0.95 0.13 0.00 6.66 5.75 -1.56 -0.88 115.11 126.16 2fuh h GLN 143 Ca 0.18 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2fuh h GLN 143 Cb 0.49 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2fuh h GLN 143 CO 0.02 0.92 -1.81 0.36 -2.65 0.00 0.00 178.83 175.67 2fuh n LYS 144 N -3.61 0.60 -0.24 1.69 2.85 -1.14 -4.07 118.16 114.23 2fuh n LYS 144 Ca -0.03 -0.16 0.05 0.00 -1.05 0.00 0.00 58.31 57.12 2fuh n LYS 144 Cb 0.81 -1.48 0.08 0.00 -0.65 0.00 0.00 35.03 33.79 2fuh n LYS 144 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2fuh n TYR 145 N -2.12 0.00 -2.01 5.58 4.01 0.56 -4.76 117.16 118.42 2fuh n TYR 145 Ca -0.03 -0.55 -0.02 0.00 -0.16 0.00 0.00 57.90 57.14 2fuh n TYR 145 Cb 0.51 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 2fuh n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2fuh n ALA 146 N -0.79 2.44 -1.28 -0.72 0.00 -0.38 -4.48 120.51 115.30 2fuh n ALA 146 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2fuh n ALA 146 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2fuh n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17