#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 0.56 -0.53 0.00 3.38 -2.00 0.27 115.31 116.98 2fuh h LEU 3 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2fuh h LEU 3 Cb 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2fuh h LEU 3 CO 0.00 0.21 0.35 0.11 0.09 0.00 0.00 178.44 179.20 2fuh h LYS 4 N 0.55 0.71 -0.04 1.13 1.57 -2.06 0.20 116.57 118.63 2fuh h LYS 4 Ca 0.52 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 59.10 2fuh h LYS 4 Cb 1.09 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.25 2fuh h LYS 4 CO -0.26 0.47 -0.59 0.00 -0.57 0.00 0.00 179.45 178.51 2fuh h ARG 5 N 0.72 0.46 -0.61 3.15 3.08 -1.39 -2.95 114.38 116.84 2fuh h ARG 5 Ca 0.20 -0.45 0.02 0.00 0.07 0.00 0.00 59.98 59.82 2fuh h ARG 5 Cb -0.08 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2fuh h ARG 5 CO -0.04 1.09 0.38 0.82 -1.07 0.00 0.00 179.97 181.15 2fuh h ILE 6 N -0.00 1.08 -0.13 2.04 2.04 -0.42 -1.49 117.51 120.63 2fuh h ILE 6 Ca -0.06 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 2fuh h ILE 6 Cb 1.27 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2fuh h ILE 6 CO 0.12 0.14 -0.04 -1.13 0.00 0.00 0.00 178.15 177.23 2fuh h ASN 7 N 0.75 0.17 -0.36 1.72 -1.24 -0.67 -1.85 115.58 114.11 2fuh h ASN 7 Ca 0.24 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 2fuh h ASN 7 Cb 0.00 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 2fuh h ASN 7 CO -0.09 0.25 0.20 0.50 -1.29 0.00 0.00 177.43 176.99 2fuh h LYS 8 N 0.19 0.53 -0.06 6.67 3.64 -1.09 -1.17 116.57 125.28 2fuh h LYS 8 Ca 0.04 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2fuh h LYS 8 Cb 0.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2fuh h LYS 8 CO 0.01 0.40 -0.09 0.93 -2.27 0.00 0.00 179.45 178.42 2fuh h GLU 9 N 0.53 0.08 0.00 1.90 5.08 -1.20 -0.92 114.58 120.05 2fuh h GLU 9 Ca 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2fuh h GLU 9 Cb 0.03 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2fuh h GLU 9 CO -0.02 0.18 -0.12 1.25 -1.00 0.00 0.00 179.01 179.30 2fuh h LEU 10 N 0.08 0.00 0.08 1.33 6.46 -1.27 -2.66 115.31 119.33 2fuh h LEU 10 Ca 0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2fuh h LEU 10 Cb 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2fuh h LEU 10 CO 0.01 0.12 -0.04 0.28 -0.62 0.00 0.00 178.44 178.19 2fuh h SER 11 N 0.00 -0.09 1.36 1.25 0.02 -1.05 0.15 113.55 115.19 2fuh h SER 11 Ca -0.00 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2fuh h SER 11 Cb 0.80 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2fuh h SER 11 CO 0.02 0.18 -0.15 -0.78 -1.14 0.00 0.00 176.83 174.95 2fuh h ASP 12 N -0.36 0.00 1.56 3.07 1.82 -1.58 -2.92 116.42 118.01 2fuh h ASP 12 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2fuh h ASP 12 Cb 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2fuh h ASP 12 CO 0.02 0.15 -0.39 0.25 -1.61 0.00 0.00 179.24 177.67 2fuh h LEU 13 N 0.00 0.00 0.06 2.28 5.85 -1.31 -3.22 115.31 118.97 2fuh h LEU 13 Ca -0.00 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 2fuh h LEU 13 Cb 0.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2fuh h LEU 13 CO 0.02 0.01 -1.36 0.00 -0.34 0.00 0.00 178.44 176.76 2fuh h ALA 14 N 2.06 0.38 -3.00 1.25 0.00 -0.51 -3.36 119.26 116.08 2fuh h ALA 14 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2fuh h ALA 14 Cb 0.97 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2fuh h ALA 14 CO 0.00 1.25 0.00 0.54 0.00 0.00 0.00 179.25 181.04 2fuh n ARG 15 N -3.35 0.00 -3.76 0.00 3.00 -1.14 -4.82 116.66 106.60 2fuh n ARG 15 Ca -0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.39 2fuh n ARG 15 Cb 1.01 -0.10 -0.10 0.00 0.00 0.00 0.00 32.46 33.27 2fuh n ARG 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2fuh s ASP 16 N -1.03 5.12 0.69 0.55 1.11 -1.22 -5.09 116.67 116.80 2fuh s ASP 16 Ca 0.00 -3.02 -0.11 0.00 0.18 0.00 0.00 52.55 49.60 2fuh s ASP 16 Cb 0.00 -1.81 0.01 0.00 1.07 0.00 0.00 42.92 42.18 2fuh s ASP 16 CO 0.00 -0.31 1.08 -2.16 1.18 0.00 0.00 175.17 174.95 2fuh s PRO 17 N -0.30 2.96 0.05 8.23 0.04 -1.26 -4.79 135.00 139.93 2fuh s PRO 17 Ca 0.18 0.47 -0.36 0.00 0.04 0.00 0.00 61.00 61.33 2fuh s PRO 17 Cb -0.19 -2.05 -0.15 0.00 0.04 0.00 0.00 34.50 32.15 2fuh s PRO 17 CO -0.04 -0.95 1.53 -2.30 0.04 0.00 0.00 177.00 175.28 2fuh n PRO 18 N -2.95 1.63 0.06 0.56 -0.02 -1.26 -4.88 135.00 128.14 2fuh n PRO 18 Ca 0.07 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2fuh n PRO 18 Cb 0.57 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 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 5.86 0.44 0.10 3.55 0.00 -2.03 -3.34 119.26 123.83 2fuh h ALA 19 Ca -0.47 -0.68 -0.25 0.00 0.00 0.00 0.00 54.91 53.52 2fuh h ALA 19 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2fuh h ALA 19 CO 0.86 0.81 -1.25 -0.56 0.00 0.00 0.00 179.25 179.10 2fuh h GLN 20 N 0.23 0.20 -6.70 0.00 3.07 -2.00 -3.47 115.11 106.45 2fuh h GLN 20 Ca -0.06 -0.35 -0.43 0.00 0.09 0.00 0.00 58.65 57.90 2fuh h GLN 20 Cb 1.50 0.13 0.04 0.00 0.08 0.00 0.00 27.48 29.22 2fuh h GLN 20 CO 0.15 1.17 -0.11 0.00 0.09 0.00 0.00 178.83 180.12 2fuh s SER 22 N -4.39 0.51 0.08 0.00 0.01 -1.22 -4.39 113.70 104.30 2fuh s SER 22 Ca 0.56 -0.76 -0.26 0.00 1.31 0.00 0.00 55.95 56.80 2fuh s SER 22 Cb -0.10 0.13 0.09 0.00 0.21 0.00 0.00 66.02 66.35 2fuh s SER 22 CO 0.37 -0.43 1.15 0.00 0.41 0.00 0.00 173.24 174.74 2fuh s ALA 23 N -2.67 -1.99 0.00 1.44 0.00 -1.26 -2.25 121.76 115.03 2fuh s ALA 23 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2fuh s ALA 23 Cb -0.01 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2fuh s ALA 23 CO -0.05 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2fuh n GLY 24 N -0.69 4.28 3.42 0.00 0.00 -1.23 -4.98 105.19 105.99 2fuh n GLY 24 Ca -0.03 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2fuh n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2fuh n PRO 25 N -1.18 0.43 -3.33 1.61 -0.02 -1.26 -3.46 135.00 127.79 2fuh n PRO 25 Ca 0.00 0.16 -0.46 0.00 -2.02 0.00 0.00 63.50 61.17 2fuh n PRO 25 Cb 0.00 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 2fuh n PRO 25 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2fuh s VAL 26 N -1.54 5.40 0.00 -1.45 1.01 -0.80 -4.89 120.40 118.13 2fuh s VAL 26 Ca 0.63 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 60.50 2fuh s VAL 26 Cb -0.60 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.39 2fuh s VAL 26 CO 0.59 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 175.34 2fuh n GLY 27 N 4.46 -0.85 0.18 4.51 0.00 -1.26 -4.23 105.19 107.99 2fuh n GLY 27 Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2fuh n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2fuh n ASP 28 N -1.43 0.21 -4.23 1.61 -0.08 -1.26 -4.50 116.55 106.88 2fuh n ASP 28 Ca 0.00 -1.19 -0.40 0.00 -1.51 0.00 0.00 54.79 51.69 2fuh n ASP 28 Cb 0.00 -0.11 -0.09 0.00 2.34 0.00 0.00 41.12 43.26 2fuh n ASP 28 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2fuh s ASP 29 N -1.05 5.64 0.08 1.67 2.15 -1.26 -5.08 116.67 118.82 2fuh s ASP 29 Ca 0.00 -1.77 0.00 0.00 0.43 0.00 0.00 52.55 51.21 2fuh s ASP 29 Cb 0.00 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 2fuh s ASP 29 CO 0.00 -0.62 0.00 0.23 -0.17 0.00 0.00 175.17 174.61 2fuh n MET 30 N 4.88 1.13 -0.45 4.34 2.81 -1.26 -3.58 117.12 124.99 2fuh n MET 30 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2fuh n MET 30 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 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 -1.01 0.00 -4.00 2.03 3.72 -1.26 -4.86 117.46 112.08 2fuh n PHE 31 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2fuh n PHE 31 Cb 0.00 -1.40 -0.17 0.00 -0.94 0.00 0.00 39.48 36.97 2fuh n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2fuh s HIS 32 N -0.90 1.66 0.34 1.38 2.46 -1.24 -3.51 115.29 115.49 2fuh s HIS 32 Ca 0.00 -0.85 0.04 0.00 0.47 0.00 0.00 55.06 54.72 2fuh s HIS 32 Cb 0.00 -1.32 -0.06 0.00 -0.13 0.00 0.00 32.58 31.08 2fuh s HIS 32 CO 0.00 -0.53 0.06 -1.58 -2.47 0.00 0.00 174.74 170.22 2fuh s TRP 33 N 1.56 1.96 0.05 3.88 0.52 -1.11 -1.90 118.94 123.89 2fuh s TRP 33 Ca 0.03 -0.99 -0.02 0.00 0.02 0.00 0.00 56.10 55.14 2fuh s TRP 33 Cb -0.13 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 30.87 2fuh s TRP 33 CO -0.08 -0.01 0.01 -1.14 0.02 0.00 0.00 176.95 175.75 2fuh s GLN 34 N -3.86 0.59 0.07 4.98 0.74 -1.22 -3.76 119.66 117.20 2fuh s GLN 34 Ca 0.34 -1.04 -0.10 0.00 0.05 0.00 0.00 55.36 54.61 2fuh s GLN 34 Cb 0.08 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.40 2fuh s GLN 34 CO 0.15 -0.12 0.22 0.00 -0.55 0.00 0.00 175.29 174.99 2fuh s ALA 35 N -3.38 -0.36 -0.03 1.58 0.00 -0.24 -3.47 121.76 115.85 2fuh s ALA 35 Ca 0.02 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 2fuh s ALA 35 Cb 0.04 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2fuh s ALA 35 CO -0.08 -0.46 0.19 0.99 0.00 0.00 0.00 175.76 176.40 2fuh s THR 36 N -3.30 0.05 0.09 0.00 2.01 -0.95 -2.78 115.64 110.75 2fuh s THR 36 Ca 0.01 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 2fuh s THR 36 Cb 0.02 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.12 2fuh s THR 36 CO -0.08 -0.21 0.18 -0.63 -0.69 0.00 0.00 174.62 173.19 2fuh s ILE 37 N -0.77 0.15 -0.06 1.82 1.01 -1.21 -3.43 121.20 118.70 2fuh s ILE 37 Ca -0.09 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.36 2fuh s ILE 37 Cb -0.05 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.08 2fuh s ILE 37 CO 0.01 -0.66 -0.09 -0.32 0.00 0.00 0.00 174.94 173.88 2fuh s MET 38 N -3.87 1.35 -0.55 2.79 1.75 -1.26 -2.61 119.30 116.90 2fuh s MET 38 Ca 0.05 -0.29 -0.13 0.00 -1.25 0.00 0.00 55.69 54.07 2fuh s MET 38 Cb 0.05 -1.17 -0.14 0.00 2.84 0.00 0.00 34.83 36.40 2fuh s MET 38 CO -0.11 -0.01 1.39 0.41 -0.65 0.00 0.00 175.02 176.05 2fuh n GLY 39 N 3.90 -0.27 3.55 2.11 0.00 -1.24 -4.76 105.19 108.48 2fuh n GLY 39 Ca -0.24 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 4.14 1.01 -0.60 1.61 -0.02 -1.26 -4.35 135.00 135.52 2fuh n PRO 40 Ca 0.37 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 2fuh n PRO 40 Cb 0.04 -1.83 0.20 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.74 -1.71 -3.67 2.55 5.15 -1.26 -3.43 115.26 113.62 2fuh n ASN 41 Ca 0.11 -0.01 -0.25 0.00 -0.60 0.00 0.00 54.58 53.82 2fuh n ASN 41 Cb 0.39 -1.19 0.07 0.00 -0.53 0.00 0.00 39.78 38.52 2fuh n ASN 41 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2fuh n ASP 42 N -3.38 -5.57 -3.69 1.20 9.92 -1.26 -4.98 116.55 108.78 2fuh n ASP 42 Ca 0.04 -0.61 -0.15 0.00 -0.53 0.00 0.00 54.79 53.54 2fuh n ASP 42 Cb 0.56 -4.72 -0.08 0.00 -0.64 0.00 0.00 41.12 36.24 2fuh n ASP 42 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2fuh s SER 43 N -3.41 -0.35 0.00 -2.24 0.01 -1.22 -5.02 113.70 101.46 2fuh s SER 43 Ca 0.55 0.33 0.15 0.00 1.31 0.00 0.00 55.95 58.29 2fuh s SER 43 Cb -0.25 0.42 0.88 0.00 0.21 0.00 0.00 66.02 67.28 2fuh s SER 43 CO 0.76 -0.47 1.30 -0.81 0.41 0.00 0.00 173.24 174.42 2fuh n PRO 44 N 1.28 0.49 0.00 12.44 -0.04 -1.26 -2.19 135.00 145.73 2fuh n PRO 44 Ca -0.20 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2fuh n PRO 44 Cb 0.56 -1.47 0.36 0.00 -0.04 0.00 0.00 33.50 32.92 2fuh n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2fuh n TYR 45 N -0.97 0.00 -1.63 0.54 4.01 -1.26 -4.32 117.16 113.53 2fuh n TYR 45 Ca 0.11 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.38 2fuh n TYR 45 Cb 0.05 -0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 38.89 2fuh n TYR 45 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2fuh n GLN 46 N -0.78 2.06 0.00 -0.72 6.02 -0.93 -3.48 117.38 119.55 2fuh n GLN 46 Ca 0.11 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 2fuh n GLN 46 Cb 0.34 -2.76 0.00 0.00 1.02 0.00 0.00 30.24 28.84 2fuh n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fuh n GLY 47 N 4.97 1.52 3.88 1.08 0.00 -1.26 -5.08 105.19 110.30 2fuh n GLY 47 Ca 0.26 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.63 0.07 -0.02 0.00 -1.23 -4.97 107.32 102.81 2fuh s GLY 48 Ca 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 44.72 44.04 2fuh s GLY 48 CO 0.00 -0.19 -0.22 0.14 0.00 0.00 0.00 173.10 172.83 2fuh s VAL 49 N -3.59 1.82 0.43 1.40 1.01 -1.25 -3.67 120.40 116.55 2fuh s VAL 49 Ca 0.65 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 61.30 2fuh s VAL 49 Cb -0.10 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2fuh s VAL 49 CO 0.51 0.13 0.32 -0.36 0.00 0.00 0.00 175.10 175.70 2fuh s PHE 50 N -0.94 2.57 0.03 5.22 0.40 -1.07 -4.82 117.98 119.36 2fuh s PHE 50 Ca 0.09 -0.56 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2fuh s PHE 50 Cb -0.09 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 2fuh s PHE 50 CO 0.03 -0.06 -0.03 -0.06 0.70 0.00 0.00 175.22 175.80 2fuh s PHE 51 N -2.54 0.34 0.07 0.36 0.40 -1.26 -3.33 117.98 112.01 2fuh s PHE 51 Ca 0.45 -0.70 -0.13 0.00 -0.60 0.00 0.00 56.93 55.95 2fuh s PHE 51 Cb -0.01 -0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.29 2fuh s PHE 51 CO 0.26 -0.25 0.29 -1.17 0.70 0.00 0.00 175.22 175.05 2fuh s LEU 52 N -1.91 0.92 -0.03 -0.37 0.20 -1.12 -3.76 118.68 112.62 2fuh s LEU 52 Ca -0.09 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 54.43 2fuh s LEU 52 Cb -0.04 1.36 0.02 0.00 -0.43 0.00 0.00 46.19 47.10 2fuh s LEU 52 CO -0.04 -0.67 -0.00 -0.89 -0.29 0.00 0.00 176.35 174.46 2fuh s THR 53 N -3.01 0.17 -0.25 3.68 2.01 -1.26 -1.08 115.64 115.90 2fuh s THR 53 Ca -0.02 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 2fuh s THR 53 Cb 0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2fuh s THR 53 CO -0.06 0.13 0.15 -0.63 -0.69 0.00 0.00 174.62 173.51 2fuh s ILE 54 N 0.87 5.07 -0.01 1.82 1.09 -1.25 -3.96 121.20 124.83 2fuh s ILE 54 Ca -0.09 0.08 0.01 0.00 -1.10 0.00 0.00 60.65 59.56 2fuh s ILE 54 Cb -0.12 -3.38 -0.04 0.00 -1.06 0.00 0.00 42.46 37.86 2fuh s ILE 54 CO -0.02 0.31 -0.00 -2.28 -0.10 0.00 0.00 174.94 172.85 2fuh s HIS 55 N 1.43 3.08 -0.13 3.97 2.46 -1.25 -2.74 115.29 122.10 2fuh s HIS 55 Ca 0.07 0.09 0.01 0.00 0.47 0.00 0.00 55.06 55.69 2fuh s HIS 55 Cb -0.15 -1.68 -0.01 0.00 -0.13 0.00 0.00 32.58 30.62 2fuh s HIS 55 CO 0.07 0.46 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.58 2fuh s PHE 56 N -1.06 2.76 0.11 3.88 0.08 -1.23 -3.17 117.98 119.35 2fuh s PHE 56 Ca 0.19 -0.85 -0.29 0.00 0.12 0.00 0.00 56.93 56.11 2fuh s PHE 56 Cb -0.11 -1.84 -0.06 0.00 -0.57 0.00 0.00 43.02 40.44 2fuh s PHE 56 CO 0.09 -0.34 0.91 -1.25 -0.10 0.00 0.00 175.22 174.53 2fuh s PRO 57 N 0.51 4.67 0.10 0.24 0.04 -1.26 -4.89 135.00 134.41 2fuh s PRO 57 Ca -0.10 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.33 2fuh s PRO 57 Cb -0.16 -3.36 0.19 0.00 0.04 0.00 0.00 34.50 31.21 2fuh s PRO 57 CO 0.04 0.28 0.90 0.25 0.04 0.00 0.00 177.00 178.52 2fuh n THR 58 N 2.57 0.87 0.87 1.26 -2.24 -1.26 -0.47 114.28 115.89 2fuh n THR 58 Ca 0.00 0.57 -0.00 0.00 -2.27 0.00 0.00 64.05 62.35 2fuh n THR 58 Cb 0.49 -1.57 0.02 0.00 -2.10 0.00 0.00 70.33 67.17 2fuh n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2fuh n ASP 59 N -1.49 1.95 -0.35 3.42 9.92 -1.26 -4.95 116.55 123.79 2fuh n ASP 59 Ca -0.00 -2.07 0.00 0.00 -0.53 0.00 0.00 54.79 52.18 2fuh n ASP 59 Cb 0.28 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 2fuh n ASP 59 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2fuh n TYR 60 N 0.17 -0.97 0.16 1.24 4.01 0.38 -4.61 117.16 117.54 2fuh n TYR 60 Ca 0.03 0.52 0.01 0.00 -0.16 0.00 0.00 57.90 58.30 2fuh n TYR 60 Cb 0.41 -1.23 0.28 0.00 -0.31 0.00 0.00 39.34 38.49 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 0.07 0.04 0.00 -0.72 0.13 -1.92 -3.10 132.00 126.49 2fuh h PRO 61 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2fuh h PRO 61 Cb 0.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2fuh h PRO 61 CO 0.00 0.48 0.47 1.97 -0.23 0.00 0.00 178.00 180.69 2fuh n PHE 62 N -4.00 0.20 -3.33 1.56 1.16 -1.26 -4.33 117.46 107.46 2fuh n PHE 62 Ca -0.02 0.10 -0.29 0.00 -1.87 0.00 0.00 57.45 55.38 2fuh n PHE 62 Cb 0.48 -0.33 -0.03 0.00 -1.61 0.00 0.00 39.48 37.98 2fuh n PHE 62 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2fuh s LYS 63 N -3.00 3.64 -0.35 3.97 1.02 -1.17 -4.74 119.74 119.10 2fuh s LYS 63 Ca -0.01 0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 2fuh s LYS 63 Cb 0.02 -2.64 -0.08 0.00 -0.52 0.00 0.00 37.83 34.60 2fuh s LYS 63 CO 0.05 0.21 2.27 -0.35 -0.92 0.00 0.00 175.35 176.62 2fuh n PRO 64 N -0.92 1.38 -0.52 -1.68 -0.04 -1.26 -4.94 135.00 127.01 2fuh n PRO 64 Ca -0.01 0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.47 2fuh n PRO 64 Cb 0.54 -2.92 0.22 0.00 -0.04 0.00 0.00 33.50 31.29 2fuh n PRO 64 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2fuh n PRO 65 N 8.60 -2.48 -3.69 0.54 -0.02 -1.26 -4.96 135.00 131.73 2fuh n PRO 65 Ca 0.37 -0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 60.79 2fuh n PRO 65 Cb 0.37 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 2fuh n PRO 65 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2fuh s LYS 66 N -3.96 2.99 0.28 -0.52 -0.14 -1.19 -5.03 119.74 112.16 2fuh s LYS 66 Ca 0.60 -3.10 -0.16 0.00 -1.36 0.00 0.00 55.97 51.94 2fuh s LYS 66 Cb -0.16 -3.83 -0.09 0.00 -1.68 0.00 0.00 37.83 32.08 2fuh s LYS 66 CO 0.61 -1.24 0.71 0.54 -0.76 0.00 0.00 175.35 175.21 2fuh s VAL 67 N -1.04 4.67 -0.15 3.17 0.11 -1.26 -3.85 120.40 122.03 2fuh s VAL 67 Ca 0.24 1.02 -0.12 0.00 -2.93 0.00 0.00 61.98 60.19 2fuh s VAL 67 Cb -0.10 -3.69 0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2fuh s VAL 67 CO -0.11 -0.04 0.40 0.00 -3.33 0.00 0.00 175.10 172.02 2fuh s ALA 68 N -1.81 -0.99 -0.52 1.54 0.00 -1.25 -4.56 121.76 114.16 2fuh s ALA 68 Ca 0.50 1.27 -0.23 0.00 0.00 0.00 0.00 51.96 53.49 2fuh s ALA 68 Cb -0.12 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.28 2fuh s ALA 68 CO 0.19 -0.22 0.86 0.12 0.00 0.00 0.00 175.76 176.72 2fuh s PHE 69 N 0.70 2.87 0.24 0.00 5.36 -1.01 -3.99 117.98 122.14 2fuh s PHE 69 Ca -0.04 -0.05 -0.07 0.00 -0.96 0.00 0.00 56.93 55.82 2fuh s PHE 69 Cb -0.05 -3.91 0.22 0.00 -0.34 0.00 0.00 43.02 38.94 2fuh s PHE 69 CO -0.05 -1.23 1.87 0.00 -1.46 0.00 0.00 175.22 174.36 2fuh h THR 70 N 5.99 1.26 -3.61 0.12 1.03 -1.92 -3.39 112.91 112.39 2fuh h THR 70 Ca -0.26 -0.60 -0.47 0.00 -0.01 0.00 0.00 66.41 65.07 2fuh h THR 70 Cb 1.08 -0.04 0.06 0.00 -1.07 0.00 0.00 68.15 68.19 2fuh h THR 70 CO 1.04 0.28 0.18 -0.89 -0.01 0.00 0.00 175.52 176.12 2fuh s THR 71 N -5.91 3.20 0.04 0.00 2.01 -1.26 -5.05 115.64 108.67 2fuh s THR 71 Ca -0.13 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 2fuh s THR 71 Cb 0.17 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 2fuh s THR 71 CO 0.83 -0.30 0.31 -0.13 -0.69 0.00 0.00 174.62 174.64 2fuh s ARG 72 N -5.05 3.63 -0.18 4.92 3.00 -1.26 -4.79 118.95 119.22 2fuh s ARG 72 Ca 0.56 -0.02 -0.14 0.00 0.00 0.00 0.00 55.73 56.13 2fuh s ARG 72 Cb -0.11 -3.04 0.05 0.00 0.00 0.00 0.00 34.95 31.86 2fuh s ARG 72 CO 0.45 0.61 0.47 -1.50 0.00 0.00 0.00 175.30 175.32 2fuh s ILE 73 N -1.36 -0.01 -0.95 1.52 2.07 -1.26 -4.79 121.20 116.42 2fuh s ILE 73 Ca 0.30 0.03 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 2fuh s ILE 73 Cb -0.13 -0.67 0.17 0.00 0.13 0.00 0.00 42.46 41.96 2fuh s ILE 73 CO 0.18 0.01 1.06 -0.47 -1.91 0.00 0.00 174.94 173.81 2fuh s TYR 74 N 0.66 3.43 0.01 3.50 5.04 -1.26 -4.23 117.35 124.51 2fuh s TYR 74 Ca -0.03 -1.74 0.01 0.00 -2.44 0.00 0.00 57.07 52.87 2fuh s TYR 74 Cb -0.05 -4.13 -0.01 0.00 0.35 0.00 0.00 41.96 38.12 2fuh s TYR 74 CO -0.04 -1.30 -0.04 -1.01 -1.34 0.00 0.00 175.55 171.82 2fuh s HIS 75 N 1.57 0.34 0.21 4.97 3.76 -1.21 -4.76 115.29 120.17 2fuh s HIS 75 Ca 0.30 -0.28 0.25 0.00 -0.15 0.00 0.00 55.06 55.18 2fuh s HIS 75 Cb -0.06 -0.22 1.05 0.00 1.11 0.00 0.00 32.58 34.46 2fuh s HIS 75 CO -0.08 -0.07 1.88 -1.00 -0.85 0.00 0.00 174.74 174.62 2fuh h PRO 76 N 5.34 0.00 0.00 8.40 0.13 -1.90 -2.69 132.00 141.28 2fuh h PRO 76 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2fuh h PRO 76 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2fuh h PRO 76 CO 0.46 0.21 -0.92 0.09 -0.23 0.00 0.00 178.00 177.60 2fuh n ASN 77 N -3.45 0.72 -3.89 1.44 5.03 -1.26 -2.90 115.26 110.95 2fuh n ASN 77 Ca -0.00 0.14 -0.26 0.00 0.87 0.00 0.00 54.58 55.33 2fuh n ASN 77 Cb 0.39 0.48 -0.17 0.00 -1.02 0.00 0.00 39.78 39.46 2fuh n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2fuh s ILE 78 N -3.27 0.94 0.61 2.41 1.01 -1.02 -3.62 121.20 118.27 2fuh s ILE 78 Ca 0.02 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 2fuh s ILE 78 Cb 0.12 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2fuh s ILE 78 CO 0.77 0.35 1.03 0.21 0.00 0.00 0.00 174.94 177.30 2fuh s ASN 79 N 1.70 6.26 0.56 3.58 3.04 -1.11 -3.30 114.94 125.68 2fuh s ASN 79 Ca 0.04 1.43 0.34 0.00 0.04 0.00 0.00 52.86 54.72 2fuh s ASN 79 Cb -0.13 -2.47 1.59 0.00 -1.54 0.00 0.00 41.25 38.71 2fuh s ASN 79 CO -0.07 -0.85 2.08 0.28 -3.04 0.00 0.00 177.10 175.49 2fuh h SER 80 N -0.23 0.00 0.07 -4.21 0.02 -1.90 -1.59 113.55 105.71 2fuh h SER 80 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2fuh h SER 80 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2fuh h SER 80 CO 0.62 0.05 0.00 0.59 -1.14 0.00 0.00 176.83 176.94 2fuh n ASN 81 N -3.22 0.00 -0.22 3.07 5.03 -1.26 -4.78 115.26 113.88 2fuh n ASN 81 Ca -0.01 -0.51 0.00 0.00 0.87 0.00 0.00 54.58 54.93 2fuh n ASN 81 Cb 0.25 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 2fuh n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2fuh n GLY 82 N 0.30 0.79 3.42 7.41 0.00 -0.60 -4.80 105.19 111.70 2fuh n GLY 82 Ca 0.14 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.86 6.19 -0.06 1.61 0.01 -1.22 -2.41 113.70 114.97 2fuh s SER 83 Ca 0.00 -1.12 -0.17 0.00 1.31 0.00 0.00 55.95 55.96 2fuh s SER 83 Cb 0.00 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2fuh s SER 83 CO 0.00 -0.82 0.47 -0.63 0.41 0.00 0.00 173.24 172.67 2fuh s ILE 84 N 2.26 5.07 -0.09 1.44 1.09 -1.26 -2.74 121.20 126.97 2fuh s ILE 84 Ca 0.11 0.96 0.02 0.00 -1.10 0.00 0.00 60.65 60.63 2fuh s ILE 84 Cb -0.22 -3.80 0.02 0.00 -1.06 0.00 0.00 42.46 37.40 2fuh s ILE 84 CO 0.09 0.43 -0.13 0.00 -0.10 0.00 0.00 174.94 175.24 2fuh s LEU 86 N 1.00 1.62 -0.01 0.00 1.43 -1.26 -4.96 118.68 116.49 2fuh s LEU 86 Ca -0.07 -0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 51.81 2fuh s LEU 86 Cb -0.15 0.66 -0.18 0.00 0.03 0.00 0.00 46.19 46.56 2fuh s LEU 86 CO -0.01 -0.75 1.20 0.44 0.23 0.00 0.00 176.35 177.46 2fuh h ASP 87 N 2.81 -0.14 0.00 2.29 3.32 -1.98 -2.87 116.42 119.84 2fuh h ASP 87 Ca -0.34 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.37 2fuh h ASP 87 Cb 1.20 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2fuh h ASP 87 CO 0.57 0.30 0.03 0.16 -1.72 0.00 0.00 179.24 178.58 2fuh h ILE 88 N -0.62 0.00 0.00 0.35 -0.00 -1.98 0.38 117.51 115.65 2fuh h ILE 88 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 2fuh h ILE 88 Cb 0.48 0.66 0.00 0.00 -0.00 0.00 0.00 36.82 37.96 2fuh h ILE 88 CO 0.03 0.00 -0.05 -0.11 -0.00 0.00 0.00 178.15 178.01 2fuh n LEU 89 N -2.55 0.50 0.00 0.16 7.94 -1.09 -3.15 117.00 118.80 2fuh n LEU 89 Ca -0.02 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2fuh n LEU 89 Cb 0.07 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2fuh n LEU 89 CO 0.13 -0.10 0.00 -1.14 -1.11 0.00 0.00 177.39 175.17 2fuh n ARG 90 N -1.95 0.07 0.18 1.96 3.00 0.13 -4.80 116.66 115.25 2fuh n ARG 90 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.04 2fuh n ARG 90 Cb 0.39 0.00 0.30 0.00 0.00 0.00 0.00 32.46 33.16 2fuh n ARG 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2fuh h SER 91 N 0.00 0.00 0.00 6.15 0.87 -1.86 -3.17 113.55 115.54 2fuh h SER 91 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2fuh h SER 91 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2fuh h SER 91 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2fuh n GLN 92 N -2.77 0.63 -1.92 2.24 1.13 -1.23 -4.81 117.38 110.65 2fuh n GLN 92 Ca 0.04 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.79 2fuh n GLN 92 Cb 0.47 -1.20 0.01 0.00 0.11 0.00 0.00 30.24 29.63 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 -1.37 3.24 -0.04 1.08 -0.11 -1.19 -4.56 118.94 116.00 2fuh s TRP 93 Ca 0.00 1.43 -0.02 0.00 1.22 0.00 0.00 56.10 58.74 2fuh s TRP 93 Cb 0.00 -2.87 0.03 0.00 -1.50 0.00 0.00 33.47 29.13 2fuh s TRP 93 CO 0.00 -0.93 0.05 -1.12 -4.62 0.00 0.00 176.95 170.34 2fuh s SER 94 N -3.44 0.97 0.00 5.86 0.01 -1.26 -5.00 113.70 110.85 2fuh s SER 94 Ca 0.59 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2fuh s SER 94 Cb -0.13 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2fuh s SER 94 CO 0.45 -0.22 0.64 -2.65 0.41 0.00 0.00 173.24 171.86 2fuh n PRO 95 N 5.08 0.00 -0.61 12.44 -0.02 -1.26 0.19 135.00 150.82 2fuh n PRO 95 Ca -0.08 0.14 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 2fuh n PRO 95 Cb 0.50 -1.85 0.25 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.14 3.54 -2.63 3.55 0.00 -1.26 -4.73 120.51 117.83 2fuh n ALA 96 Ca 0.00 -2.53 -0.43 0.00 0.00 0.00 0.00 53.44 50.48 2fuh n ALA 96 Cb 0.35 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2fuh n ALA 96 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fuh s LEU 97 N -2.96 3.90 0.00 0.00 0.20 0.51 -5.03 118.68 115.30 2fuh s LEU 97 Ca 0.44 1.00 -0.03 0.00 0.69 0.00 0.00 54.13 56.24 2fuh s LEU 97 Cb 0.37 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.63 2fuh s LEU 97 CO 0.07 -0.92 0.25 1.07 -0.29 0.00 0.00 176.35 176.54 2fuh n THR 98 N 5.97 0.00 -0.05 3.68 5.66 -1.26 -5.03 114.28 123.24 2fuh n THR 98 Ca 0.12 -0.21 -0.22 0.00 -3.05 0.00 0.00 64.05 60.69 2fuh n THR 98 Cb 0.47 -1.81 -0.13 0.00 -1.55 0.00 0.00 70.33 67.32 2fuh n THR 98 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2fuh n ILE 99 N -2.26 1.66 0.30 1.09 2.08 -1.26 -4.00 119.36 116.97 2fuh n ILE 99 Ca 0.03 -0.44 0.13 0.00 0.56 0.00 0.00 62.75 63.03 2fuh n ILE 99 Cb 0.12 -1.80 0.71 0.00 -0.75 0.00 0.00 39.64 37.92 2fuh n ILE 99 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2fuh h SER 100 N -0.33 0.00 0.00 4.38 0.02 -1.96 -1.04 113.55 114.62 2fuh h SER 100 Ca -0.45 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 2fuh h SER 100 Cb 1.77 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.31 2fuh h SER 100 CO -0.06 0.00 -0.25 0.50 -1.14 0.00 0.00 176.83 175.88 2fuh h LYS 101 N 0.00 0.00 -0.15 3.45 3.64 -1.97 -3.15 116.57 118.39 2fuh h LYS 101 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2fuh h LYS 101 Cb 0.67 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 2fuh h LYS 101 CO 0.00 0.89 -0.13 0.28 -2.27 0.00 0.00 179.45 178.22 2fuh h VAL 102 N -1.00 0.63 -0.34 2.00 2.07 -1.34 0.52 116.25 118.79 2fuh h VAL 102 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2fuh h VAL 102 Cb 0.96 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2fuh h VAL 102 CO -0.04 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 177.39 2fuh h LEU 103 N -0.15 -0.33 -0.36 2.57 4.07 -1.60 -1.24 115.31 118.27 2fuh h LEU 103 Ca 0.10 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 2fuh h LEU 103 Cb 0.29 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2fuh h LEU 103 CO -0.24 -0.12 0.11 0.25 -1.08 0.00 0.00 178.44 177.36 2fuh h LEU 104 N -0.01 0.54 -0.57 1.67 7.12 -1.38 -2.36 115.31 120.32 2fuh h LEU 104 Ca 0.16 -0.21 0.12 0.00 0.13 0.00 0.00 57.88 58.08 2fuh h LEU 104 Cb 0.26 -0.14 -0.11 0.00 -0.53 0.00 0.00 40.66 40.14 2fuh h LEU 104 CO -0.35 0.61 -0.10 -1.28 -0.13 0.00 0.00 178.44 177.18 2fuh h SER 105 N 0.44 -0.45 -0.27 1.25 0.87 0.77 0.33 113.55 116.49 2fuh h SER 105 Ca 0.12 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2fuh h SER 105 Cb 0.27 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2fuh h SER 105 CO -0.00 -0.17 0.16 0.40 -0.53 0.00 0.00 176.83 176.69 2fuh h ILE 106 N 0.03 1.11 -0.54 2.23 2.04 -1.09 -1.93 117.51 119.35 2fuh h ILE 106 Ca 0.28 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 66.00 2fuh h ILE 106 Cb 0.44 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2fuh h ILE 106 CO -0.56 0.11 0.37 0.00 0.00 0.00 0.00 178.15 178.07 2fuh h SER 108 N 0.19 0.12 -0.03 0.00 4.64 -0.23 -2.69 113.55 115.56 2fuh h SER 108 Ca 0.26 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2fuh h SER 108 Cb 0.76 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2fuh h SER 108 CO -0.04 0.68 0.01 0.25 -0.87 0.00 0.00 176.83 176.86 2fuh h LEU 109 N 0.08 0.03 -1.04 5.97 7.12 -0.32 -1.08 115.31 126.07 2fuh h LEU 109 Ca -0.00 -0.12 -0.05 0.00 0.13 0.00 0.00 57.88 57.84 2fuh h LEU 109 Cb 1.05 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.15 2fuh h LEU 109 CO 0.08 0.14 0.15 -0.07 -0.13 0.00 0.00 178.44 178.62 2fuh h LEU 110 N -0.07 0.78 -1.37 2.25 3.38 -1.51 -0.66 115.31 118.12 2fuh h LEU 110 Ca 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2fuh h LEU 110 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2fuh h LEU 110 CO -0.00 0.75 -0.28 0.00 0.09 0.00 0.00 178.44 179.00 2fuh s ASP 112 N -6.94 0.59 -0.34 0.00 -1.08 -0.43 -5.10 116.67 103.37 2fuh s ASP 112 Ca -0.04 -2.67 -0.29 0.00 -0.52 0.00 0.00 52.55 49.03 2fuh s ASP 112 Cb 0.15 0.24 0.02 0.00 -1.46 0.00 0.00 42.92 41.87 2fuh s ASP 112 CO 0.72 -0.14 1.13 -2.16 0.52 0.00 0.00 175.17 175.24 2fuh s PRO 113 N 0.31 3.99 -0.35 4.34 0.04 -0.31 -4.68 135.00 138.33 2fuh s PRO 113 Ca 0.32 1.04 -0.08 0.00 0.04 0.00 0.00 61.00 62.32 2fuh s PRO 113 Cb 0.03 -3.79 0.04 0.00 0.04 0.00 0.00 34.50 30.81 2fuh s PRO 113 CO -0.15 -1.01 0.14 0.54 0.04 0.00 0.00 177.00 176.56 2fuh s ASN 114 N 1.97 5.46 0.00 6.66 4.22 -1.26 -4.98 114.94 127.02 2fuh s ASN 114 Ca 0.48 -1.10 0.00 0.00 -2.14 0.00 0.00 52.86 50.10 2fuh s ASN 114 Cb -0.12 -1.92 0.00 0.00 1.28 0.00 0.00 41.25 40.48 2fuh s ASN 114 CO 0.19 -0.35 1.66 -0.81 -2.04 0.00 0.00 177.10 175.75 2fuh n PRO 115 N 4.88 0.94 0.07 3.55 -0.04 -1.26 -4.03 135.00 139.10 2fuh n PRO 115 Ca -0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 2fuh n PRO 115 Cb 0.45 -1.03 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 2fuh n PRO 115 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2fuh h ASP 116 N 0.92 0.30 -1.80 3.54 3.32 -2.03 -3.40 116.42 117.28 2fuh h ASP 116 Ca 0.00 -0.39 -0.46 0.00 0.02 0.00 0.00 57.03 56.20 2fuh h ASP 116 Cb 0.94 -0.10 -0.37 0.00 0.22 0.00 0.00 39.33 40.02 2fuh h ASP 116 CO 0.00 1.32 -1.12 -0.67 -1.72 0.00 0.00 179.24 177.05 2fuh n ASP 117 N -3.42 0.48 -2.83 6.45 2.03 -1.26 -5.13 116.55 112.88 2fuh n ASP 117 Ca -0.12 -3.07 -0.13 0.00 0.52 0.00 0.00 54.79 52.00 2fuh n ASP 117 Cb 1.02 -0.36 0.09 0.00 -0.72 0.00 0.00 41.12 41.15 2fuh n ASP 117 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2fuh n PRO 118 N 0.34 -0.71 -0.11 -0.67 -0.04 -1.26 -5.03 135.00 127.51 2fuh n PRO 118 Ca 0.23 -0.87 0.01 0.00 -0.04 0.00 0.00 63.50 62.83 2fuh n PRO 118 Cb 0.66 -0.60 0.01 0.00 -0.04 0.00 0.00 33.50 33.53 2fuh n PRO 118 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2fuh n LEU 119 N 0.00 0.57 -3.20 1.53 -0.00 -1.14 -4.89 117.00 109.87 2fuh n LEU 119 Ca 0.07 -0.84 -0.23 0.00 -0.00 0.00 0.00 56.01 55.01 2fuh n LEU 119 Cb 0.25 -0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 43.57 2fuh n LEU 119 CO 0.18 0.20 -0.25 0.52 -0.00 0.00 0.00 177.39 178.04 2fuh n VAL 120 N -0.21 -0.33 0.28 1.47 0.31 -1.22 -4.96 118.33 113.67 2fuh n VAL 120 Ca 0.01 -4.24 0.08 0.00 -0.01 0.00 0.00 64.34 60.18 2fuh n VAL 120 Cb 0.50 -1.59 0.32 0.00 -0.91 0.00 0.00 33.84 32.17 2fuh n VAL 120 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2fuh h PRO 121 N 3.77 0.00 -0.11 5.55 0.11 -1.90 0.28 132.00 139.70 2fuh h PRO 121 Ca 0.09 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 2fuh h PRO 121 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2fuh h PRO 121 CO 0.50 0.00 -0.12 1.49 -0.21 0.00 0.00 178.00 179.65 2fuh h GLU 122 N 0.00 0.29 0.05 1.05 4.81 -1.99 -2.49 114.58 116.29 2fuh h GLU 122 Ca 0.04 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 2fuh h GLU 122 Cb 1.61 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.01 2fuh h GLU 122 CO -0.00 0.70 -0.47 0.82 -0.73 0.00 0.00 179.01 179.33 2fuh h ILE 123 N -0.12 1.55 -0.74 2.32 2.04 -0.86 -3.26 117.51 118.45 2fuh h ILE 123 Ca 0.02 -2.25 0.14 0.00 1.00 0.00 0.00 64.86 63.77 2fuh h ILE 123 Cb 0.65 2.99 -0.10 0.00 -0.74 0.00 0.00 36.82 39.63 2fuh h ILE 123 CO 0.03 0.62 0.26 0.00 0.00 0.00 0.00 178.15 179.06 2fuh h ALA 124 N 0.17 1.01 -0.09 1.87 0.00 -1.47 -0.37 119.26 120.38 2fuh h ALA 124 Ca -0.07 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2fuh h ALA 124 Cb 1.29 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2fuh h ALA 124 CO 0.09 -0.25 -0.16 -0.09 0.00 0.00 0.00 179.25 178.84 2fuh h ARG 125 N 0.39 -0.21 0.45 0.00 2.43 -1.54 0.30 114.38 116.20 2fuh h ARG 125 Ca 0.41 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 2fuh h ARG 125 Cb 0.64 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2fuh h ARG 125 CO -0.43 -0.14 -0.32 0.82 -1.51 0.00 0.00 179.97 178.40 2fuh h ILE 126 N -0.21 0.34 -0.57 1.20 2.04 -1.29 0.00 117.51 119.02 2fuh h ILE 126 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.07 2fuh h ILE 126 Cb 0.33 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2fuh h ILE 126 CO -0.22 0.00 0.39 0.22 0.00 0.00 0.00 178.15 178.54 2fuh h TYR 127 N -0.75 0.22 0.08 1.37 3.20 -0.89 2.42 116.97 122.63 2fuh h TYR 127 Ca -0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2fuh h TYR 127 Cb 0.64 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.83 2fuh h TYR 127 CO -0.13 0.10 -0.04 -0.22 -1.64 0.00 0.00 178.16 176.23 2fuh h LYS 128 N 0.20 -0.11 0.04 1.82 1.63 0.38 -3.36 116.57 117.17 2fuh h LYS 128 Ca 0.27 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.86 2fuh h LYS 128 Cb 0.79 0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.47 2fuh h LYS 128 CO -0.05 -0.07 -0.87 1.79 -3.45 0.00 0.00 179.45 176.79 2fuh h THR 129 N -0.22 1.36 -3.47 1.00 1.35 -0.91 -3.40 112.91 108.62 2fuh h THR 129 Ca -0.01 -2.24 -0.77 0.00 -0.55 0.00 0.00 66.41 62.84 2fuh h THR 129 Cb 0.09 2.61 -0.26 0.00 -1.73 0.00 0.00 68.15 68.85 2fuh h THR 129 CO 0.02 0.67 -0.11 -1.81 -0.25 0.00 0.00 175.52 174.04 2fuh s ASP 130 N -7.06 6.33 -0.02 5.36 1.01 0.82 -4.86 116.67 118.25 2fuh s ASP 130 Ca -0.12 -2.28 0.10 0.00 0.71 0.00 0.00 52.55 50.96 2fuh s ASP 130 Cb 0.05 -2.16 -0.23 0.00 1.01 0.00 0.00 42.92 41.58 2fuh s ASP 130 CO 0.87 -0.68 0.77 -0.09 0.21 0.00 0.00 175.17 176.25 2fuh h ARG 131 N 8.22 0.03 -0.01 8.23 9.65 -1.70 -3.20 114.38 135.58 2fuh h ARG 131 Ca -0.09 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 2fuh h ARG 131 Cb 1.06 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2fuh h ARG 131 CO 0.87 0.66 -0.07 -0.44 2.80 0.00 0.00 179.97 183.78 2fuh h ASP 132 N 0.01 0.08 0.71 -3.80 5.19 -1.91 -2.85 116.42 113.85 2fuh h ASP 132 Ca -0.24 -0.70 -0.03 0.00 -0.62 0.00 0.00 57.03 55.43 2fuh h ASP 132 Cb 1.97 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.46 2fuh h ASP 132 CO 0.09 0.77 -0.36 0.50 -3.12 0.00 0.00 179.24 177.13 2fuh h LYS 133 N -0.60 -0.94 -0.82 3.56 3.64 -1.94 -2.75 116.57 116.73 2fuh h LYS 133 Ca -0.01 0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.63 2fuh h LYS 133 Cb 0.77 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 32.69 2fuh h LYS 133 CO 0.02 -0.63 0.29 -0.92 -2.27 0.00 0.00 179.45 175.94 2fuh h TYR 134 N -0.97 0.46 -0.60 1.91 5.03 -1.69 0.60 116.97 121.71 2fuh h TYR 134 Ca -0.10 0.04 0.16 0.00 2.58 0.00 0.00 58.73 61.41 2fuh h TYR 134 Cb 0.75 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.93 2fuh h TYR 134 CO -0.04 -0.06 0.42 -0.97 -1.32 0.00 0.00 178.16 176.19 2fuh h ASN 135 N 0.34 0.09 0.01 -2.11 -0.73 -1.24 -0.27 115.58 111.67 2fuh h ASN 135 Ca 0.49 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.63 2fuh h ASN 135 Cb 0.88 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.46 2fuh h ASN 135 CO -0.52 0.05 -0.14 -0.09 -0.37 0.00 0.00 177.43 176.35 2fuh h ARG 136 N 0.10 0.08 -0.63 6.67 2.43 0.39 -3.28 114.38 120.15 2fuh h ARG 136 Ca 0.29 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 2fuh h ARG 136 Cb 1.00 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.53 2fuh h ARG 136 CO -0.03 0.90 0.34 0.82 -1.51 0.00 0.00 179.97 180.49 2fuh h ILE 137 N -0.69 0.97 -0.49 1.20 1.08 -0.66 0.46 117.51 119.38 2fuh h ILE 137 Ca -0.02 -0.22 0.10 0.00 -0.39 0.00 0.00 64.86 64.33 2fuh h ILE 137 Cb 0.96 0.27 -0.10 0.00 -3.07 0.00 0.00 36.82 34.88 2fuh h ILE 137 CO 0.03 0.12 -0.28 0.77 -0.69 0.00 0.00 178.15 178.10 2fuh h SER 138 N 0.64 -0.94 0.70 1.72 4.64 -1.18 -1.47 113.55 117.66 2fuh h SER 138 Ca 0.28 0.19 -0.24 0.00 -0.47 0.00 0.00 61.79 61.56 2fuh h SER 138 Cb 0.17 0.48 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2fuh h SER 138 CO -0.17 -0.28 -1.07 0.08 -0.87 0.00 0.00 176.83 174.51 2fuh h ARG 139 N -0.16 0.19 -0.62 4.77 0.11 -1.52 -3.02 114.38 114.13 2fuh h ARG 139 Ca 0.22 -0.28 0.12 0.00 0.10 0.00 0.00 59.98 60.14 2fuh h ARG 139 Cb 0.51 0.10 -0.09 0.00 1.11 0.00 0.00 29.97 31.60 2fuh h ARG 139 CO -0.59 1.09 0.10 1.49 0.10 0.00 0.00 179.97 182.17 2fuh h GLU 140 N 0.07 0.21 -0.09 0.08 4.57 0.87 0.14 114.58 120.44 2fuh h GLU 140 Ca -0.08 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 57.90 2fuh h GLU 140 Cb 1.78 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 30.33 2fuh h GLU 140 CO 0.17 0.14 -0.68 -1.49 -1.18 0.00 0.00 179.01 175.97 2fuh h TRP 141 N 0.22 0.85 0.00 0.92 4.06 -1.39 -3.06 115.95 117.54 2fuh h TRP 141 Ca 0.33 -0.40 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2fuh h TRP 141 Cb 0.52 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 2fuh h TRP 141 CO -0.28 1.21 0.07 1.15 -3.56 0.00 0.00 178.44 177.03 2fuh h THR 142 N 0.25 0.00 0.00 1.49 2.02 -1.19 0.98 112.91 116.46 2fuh h THR 142 Ca -0.06 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.88 2fuh h THR 142 Cb 1.33 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2fuh h THR 142 CO 0.14 0.00 -0.99 1.56 0.37 0.00 0.00 175.52 176.60 2fuh h GLN 143 N 0.00 0.54 0.00 6.66 1.08 -0.89 -2.17 115.11 120.32 2fuh h GLN 143 Ca 0.00 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 2fuh h GLN 143 Cb 0.14 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2fuh h GLN 143 CO 0.00 1.21 -1.83 1.63 -0.95 0.00 0.00 178.83 178.88 2fuh n LYS 144 N -3.79 0.60 -0.50 1.46 4.01 -0.31 -2.97 118.16 116.66 2fuh n LYS 144 Ca -0.09 -0.17 0.08 0.00 -0.51 0.00 0.00 58.31 57.63 2fuh n LYS 144 Cb 0.86 -1.48 0.28 0.00 -0.51 0.00 0.00 35.03 34.17 2fuh n LYS 144 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2fuh n TYR 145 N -2.13 1.09 -1.35 2.13 4.01 0.32 -4.53 117.16 116.71 2fuh n TYR 145 Ca -0.03 -0.83 0.00 0.00 -0.16 0.00 0.00 57.90 56.88 2fuh n TYR 145 Cb 0.51 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.25 0.38 -1.77 -0.72 0.00 -0.83 -4.49 120.51 112.83 2fuh n ALA 146 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2fuh n ALA 146 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 2fuh n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17