#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 -0.02 0.00 3.38 -1.99 -0.39 115.31 116.30 2fuh h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2fuh h LEU 3 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2fuh h LEU 3 CO 0.00 0.00 -0.02 0.11 0.09 0.00 0.00 178.44 178.62 2fuh h LYS 4 N 0.00 0.04 -0.03 1.13 6.56 -2.04 -2.35 116.57 119.88 2fuh h LYS 4 Ca 0.00 -0.03 -0.14 0.00 -1.06 0.00 0.00 60.65 59.43 2fuh h LYS 4 Cb 0.09 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2fuh h LYS 4 CO 0.00 0.56 -0.51 0.00 -2.06 0.00 0.00 179.45 177.44 2fuh h ARG 5 N -0.47 0.40 -0.83 3.15 -0.00 -1.86 -3.10 114.38 111.67 2fuh h ARG 5 Ca 0.00 -0.39 0.13 0.00 -0.50 0.00 0.00 59.98 59.22 2fuh h ARG 5 Cb 0.56 0.10 -0.09 0.00 0.00 0.00 0.00 29.97 30.54 2fuh h ARG 5 CO 0.01 1.05 0.43 0.82 0.00 0.00 0.00 179.97 182.28 2fuh h ILE 6 N -0.10 0.78 0.00 2.04 2.04 -1.19 0.44 117.51 121.53 2fuh h ILE 6 Ca -0.06 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2fuh h ILE 6 Cb 1.21 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2fuh h ILE 6 CO 0.10 0.12 0.00 -1.13 0.00 0.00 0.00 178.15 177.24 2fuh h ASN 7 N 0.66 0.00 -0.28 1.72 -1.24 -1.46 -2.94 115.58 112.04 2fuh h ASN 7 Ca 0.43 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.44 2fuh h ASN 7 Cb 0.55 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 2fuh h ASN 7 CO -0.33 0.00 0.17 0.50 -1.29 0.00 0.00 177.43 176.48 2fuh h LYS 8 N 0.00 0.38 -0.47 6.67 3.64 -0.04 -2.82 116.57 123.93 2fuh h LYS 8 Ca 0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2fuh h LYS 8 Cb 0.39 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2fuh h LYS 8 CO 0.00 0.30 0.07 0.93 -2.27 0.00 0.00 179.45 178.48 2fuh h GLU 9 N 0.36 0.78 -0.81 1.90 3.07 -1.49 -2.42 114.58 115.96 2fuh h GLU 9 Ca 0.10 -0.21 0.24 0.00 -0.50 0.00 0.00 59.36 58.98 2fuh h GLU 9 Cb 0.02 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 2fuh h GLU 9 CO -0.02 0.80 0.68 1.25 -1.40 0.00 0.00 179.01 180.32 2fuh h LEU 10 N 0.64 0.00 -0.09 1.33 5.85 -1.50 0.14 115.31 121.69 2fuh h LEU 10 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2fuh h LEU 10 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2fuh h LEU 10 CO 0.01 0.00 0.06 -1.28 -0.34 0.00 0.00 178.44 176.89 2fuh h SER 11 N 0.00 0.10 0.99 1.25 0.87 -1.23 0.06 113.55 115.58 2fuh h SER 11 Ca 0.39 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2fuh h SER 11 Cb 1.74 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2fuh h SER 11 CO -0.00 0.08 -0.11 0.44 -0.53 0.00 0.00 176.83 176.70 2fuh h ASP 12 N 0.11 0.00 0.93 6.23 5.19 -0.87 -2.46 116.42 125.55 2fuh h ASP 12 Ca 0.03 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.28 2fuh h ASP 12 Cb -0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 2fuh h ASP 12 CO -0.01 0.11 -0.78 0.25 -3.12 0.00 0.00 179.24 175.70 2fuh h LEU 13 N 0.00 0.00 0.00 1.55 5.85 -0.65 0.64 115.31 122.70 2fuh h LEU 13 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2fuh h LEU 13 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2fuh h LEU 13 CO 0.01 0.78 -0.54 0.00 -0.34 0.00 0.00 178.44 178.35 2fuh h ALA 14 N 1.22 0.71 0.00 1.25 0.00 -0.69 -3.30 119.26 118.45 2fuh h ALA 14 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2fuh h ALA 14 Cb 1.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2fuh h ALA 14 CO 0.10 0.00 -1.61 0.54 0.00 0.00 0.00 179.25 178.28 2fuh n ARG 15 N -2.65 0.44 -3.53 0.00 3.00 -0.96 -4.90 116.66 108.07 2fuh n ARG 15 Ca 0.02 0.19 -0.28 0.00 -0.01 0.00 0.00 57.85 57.77 2fuh n ARG 15 Cb 0.51 -1.26 -0.11 0.00 0.00 0.00 0.00 32.46 31.60 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 -6.53 2.53 0.70 0.55 1.01 0.22 -5.08 116.67 110.06 2fuh s ASP 16 Ca -0.27 -3.01 -0.11 0.00 0.71 0.00 0.00 52.55 49.86 2fuh s ASP 16 Cb 0.08 -0.71 0.01 0.00 1.01 0.00 0.00 42.92 43.31 2fuh s ASP 16 CO 0.37 -0.19 1.08 -2.16 0.21 0.00 0.00 175.17 174.48 2fuh s PRO 17 N -0.01 2.89 0.06 8.23 0.04 -1.11 -4.43 135.00 140.67 2fuh s PRO 17 Ca 0.27 0.45 -0.36 0.00 0.04 0.00 0.00 61.00 61.40 2fuh s PRO 17 Cb -0.05 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 2fuh s PRO 17 CO -0.14 -1.00 1.52 -2.30 0.04 0.00 0.00 177.00 175.12 2fuh n PRO 18 N -2.98 1.61 -0.01 0.56 -0.02 -1.26 -4.90 135.00 128.01 2fuh n PRO 18 Ca 0.07 0.58 -0.17 0.00 -2.02 0.00 0.00 63.50 61.96 2fuh n PRO 18 Cb 0.57 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 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 5.78 0.11 0.09 3.55 0.00 -2.02 -3.37 119.26 123.40 2fuh h ALA 19 Ca -0.47 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 2fuh h ALA 19 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2fuh h ALA 19 CO 0.85 0.37 -0.04 1.96 0.00 0.00 0.00 179.25 182.39 2fuh h GLN 20 N -0.02 -0.11 0.00 0.00 1.08 -2.00 -3.47 115.11 110.59 2fuh h GLN 20 Ca -0.06 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2fuh h GLN 20 Cb 1.27 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2fuh h GLN 20 CO 0.12 0.26 0.00 0.00 -0.95 0.00 0.00 178.83 178.26 2fuh s SER 22 N -1.00 -0.16 0.34 0.00 0.01 -1.15 -4.55 113.70 107.18 2fuh s SER 22 Ca 0.00 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 2fuh s SER 22 Cb 0.00 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.60 2fuh s SER 22 CO 0.00 -0.59 0.70 0.00 0.41 0.00 0.00 173.24 173.75 2fuh s ALA 23 N -2.89 -0.56 0.00 1.44 0.00 -1.26 -2.82 121.76 115.66 2fuh s ALA 23 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2fuh s ALA 23 Cb 0.01 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.95 2fuh s ALA 23 CO -0.02 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.19 2fuh n GLY 24 N -0.51 1.57 3.46 0.00 0.00 -1.25 -4.99 105.19 103.47 2fuh n GLY 24 Ca -0.05 0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.55 -2.63 1.61 -0.02 -1.26 -3.58 135.00 129.66 2fuh n PRO 25 Ca 0.00 0.19 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 2fuh n PRO 25 Cb 0.00 -1.39 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.25 3.87 -0.17 -1.45 1.01 -1.01 -4.87 120.40 116.53 2fuh s VAL 26 Ca 0.62 1.64 0.07 0.00 0.00 0.00 0.00 61.98 64.31 2fuh s VAL 26 Cb -0.73 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 31.78 2fuh s VAL 26 CO 0.58 0.21 1.06 0.61 0.00 0.00 0.00 175.10 177.56 2fuh n GLY 27 N 0.78 -0.46 0.18 4.51 0.00 -1.26 -1.60 105.19 107.34 2fuh n GLY 27 Ca 0.02 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.35 -5.51 1.61 3.58 -1.90 -3.50 116.42 110.36 2fuh h ASP 28 Ca 0.00 0.01 0.21 0.00 0.42 0.00 0.00 57.03 57.67 2fuh h ASP 28 Cb 0.61 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.69 2fuh h ASP 28 CO 0.00 -0.06 0.65 -0.62 -2.88 0.00 0.00 179.24 176.33 2fuh s ASP 29 N -4.12 -0.03 0.42 2.28 -1.08 -0.63 -5.01 116.67 108.51 2fuh s ASP 29 Ca -0.06 -0.50 0.27 0.00 -0.52 0.00 0.00 52.55 51.73 2fuh s ASP 29 Cb 0.01 0.41 0.79 0.00 -1.46 0.00 0.00 42.92 42.67 2fuh s ASP 29 CO 0.18 -0.79 1.76 0.24 0.52 0.00 0.00 175.17 177.08 2fuh h MET 30 N 2.00 0.00 -0.43 4.34 2.86 -1.96 -3.19 114.93 118.55 2fuh h MET 30 Ca -0.26 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 2fuh h MET 30 Cb 1.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 2fuh h MET 30 CO 0.33 0.00 0.15 0.74 1.06 0.00 0.00 176.91 179.19 2fuh h PHE 31 N 0.00 0.67 -3.79 -0.22 -1.00 -1.94 -3.40 116.94 107.26 2fuh h PHE 31 Ca 0.00 -0.06 -0.63 0.00 2.81 0.00 0.00 57.97 60.09 2fuh h PHE 31 Cb 0.75 -0.20 -0.16 0.00 3.61 0.00 0.00 35.95 39.95 2fuh h PHE 31 CO 0.00 0.60 -0.45 -1.01 -1.61 0.00 0.00 178.31 175.84 2fuh s HIS 32 N -5.46 3.25 0.43 -0.55 3.76 -1.21 -3.21 115.29 112.31 2fuh s HIS 32 Ca -0.13 0.21 0.07 0.00 -0.15 0.00 0.00 55.06 55.06 2fuh s HIS 32 Cb 0.10 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 31.36 2fuh s HIS 32 CO 0.76 -0.12 0.26 -1.58 -0.85 0.00 0.00 174.74 173.21 2fuh s TRP 33 N 1.67 2.49 0.35 1.40 0.52 -0.85 -2.39 118.94 122.13 2fuh s TRP 33 Ca 0.09 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.64 2fuh s TRP 33 Cb -0.15 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2fuh s TRP 33 CO 0.09 0.01 0.13 -1.14 0.02 0.00 0.00 176.95 176.06 2fuh s GLN 34 N -4.02 1.75 0.16 4.98 0.74 -1.23 -2.20 119.66 119.83 2fuh s GLN 34 Ca 0.41 -2.02 -0.20 0.00 0.05 0.00 0.00 55.36 53.60 2fuh s GLN 34 Cb 0.01 -0.46 0.05 0.00 1.10 0.00 0.00 33.01 33.71 2fuh s GLN 34 CO 0.23 -0.41 0.54 0.00 -0.55 0.00 0.00 175.29 175.10 2fuh s ALA 35 N -3.38 -1.30 -0.11 1.58 0.00 -0.86 -3.77 121.76 113.92 2fuh s ALA 35 Ca 0.31 0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 2fuh s ALA 35 Cb 0.05 0.82 0.05 0.00 0.00 0.00 0.00 23.12 24.05 2fuh s ALA 35 CO 0.16 -0.75 0.24 0.99 0.00 0.00 0.00 175.76 176.40 2fuh s THR 36 N -3.79 -0.25 0.01 0.00 2.01 -1.13 -3.41 115.64 109.08 2fuh s THR 36 Ca 0.03 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.29 2fuh s THR 36 Cb -0.00 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 2fuh s THR 36 CO -0.11 0.10 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.23 2fuh s ILE 37 N 1.95 0.51 -0.01 1.82 1.01 -1.11 -2.95 121.20 122.41 2fuh s ILE 37 Ca -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 2fuh s ILE 37 Cb -0.11 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2fuh s ILE 37 CO -0.08 0.01 0.11 -0.32 0.00 0.00 0.00 174.94 174.66 2fuh s MET 38 N -0.50 3.17 0.47 2.79 1.75 -1.26 0.64 119.30 126.36 2fuh s MET 38 Ca -0.00 -0.43 -0.24 0.00 -1.25 0.00 0.00 55.69 53.76 2fuh s MET 38 Cb -0.04 -2.93 -0.08 0.00 2.84 0.00 0.00 34.83 34.62 2fuh s MET 38 CO -0.00 0.66 1.40 0.41 -0.65 0.00 0.00 175.02 176.84 2fuh n GLY 39 N 1.19 0.92 0.00 2.11 0.00 -1.18 -4.98 105.19 103.25 2fuh n GLY 39 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2fuh n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fuh n PRO 40 N -0.38 -0.58 -1.07 1.61 -0.04 -1.26 -4.64 135.00 128.63 2fuh n PRO 40 Ca 0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 2fuh n PRO 40 Cb 0.42 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.01 2fuh n PRO 40 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2fuh n ASN 41 N -2.69 4.62 -2.70 3.54 2.85 -1.26 -4.19 115.26 115.42 2fuh n ASN 41 Ca 0.00 -3.40 -0.04 0.00 -0.11 0.00 0.00 54.58 51.03 2fuh n ASN 41 Cb 0.00 -0.84 0.11 0.00 1.24 0.00 0.00 39.78 40.28 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 -0.78 -0.87 -3.66 1.20 8.00 -1.26 -5.10 116.55 114.07 2fuh n ASP 42 Ca 0.51 -2.30 -0.07 0.00 0.71 0.00 0.00 54.79 53.64 2fuh n ASP 42 Cb 1.26 0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 42.78 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 -1.73 -0.81 0.43 -2.24 0.01 -1.26 -5.03 113.70 103.07 2fuh s SER 43 Ca 0.17 1.32 0.30 0.00 1.31 0.00 0.00 55.95 59.05 2fuh s SER 43 Cb 0.42 1.42 1.43 0.00 0.21 0.00 0.00 66.02 69.50 2fuh s SER 43 CO -0.09 -0.22 1.61 -0.65 0.41 0.00 0.00 173.24 174.29 2fuh h PRO 44 N 7.36 0.06 0.00 12.44 0.11 -1.97 1.14 132.00 151.15 2fuh h PRO 44 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2fuh h PRO 44 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2fuh h PRO 44 CO 0.18 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 178.67 2fuh n TYR 45 N -4.76 0.00 -1.56 0.65 4.01 -1.26 -4.77 117.16 109.48 2fuh n TYR 45 Ca 0.38 0.00 -0.53 0.00 -0.16 0.00 0.00 57.90 57.60 2fuh n TYR 45 Cb 1.45 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 40.40 2fuh n TYR 45 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2fuh n GLN 46 N -1.02 0.85 -1.73 -0.72 7.27 0.39 -2.51 117.38 119.91 2fuh n GLN 46 Ca 0.01 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.38 2fuh n GLN 46 Cb 0.00 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 30.80 2fuh n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2fuh n GLY 47 N 2.14 0.95 3.44 1.69 0.00 -1.26 -5.04 105.19 107.11 2fuh n GLY 47 Ca 0.18 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.69 1.08 -0.02 -0.02 0.00 -1.04 -4.97 107.32 99.67 2fuh s GLY 48 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.45 2fuh s GLY 48 CO 0.00 -0.97 -0.13 0.14 0.00 0.00 0.00 173.10 172.14 2fuh s VAL 49 N -3.82 1.07 0.24 1.40 1.01 -1.25 -3.08 120.40 115.96 2fuh s VAL 49 Ca 0.30 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2fuh s VAL 49 Cb 0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2fuh s VAL 49 CO 0.13 0.31 0.22 -0.36 0.00 0.00 0.00 175.10 175.40 2fuh s PHE 50 N -0.16 3.18 -0.02 5.22 0.08 0.21 -4.65 117.98 121.83 2fuh s PHE 50 Ca 0.02 -0.08 -0.00 0.00 0.12 0.00 0.00 56.93 56.99 2fuh s PHE 50 Cb -0.07 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2fuh s PHE 50 CO 0.00 0.51 0.03 -0.06 -0.10 0.00 0.00 175.22 175.60 2fuh s PHE 51 N -2.05 0.02 0.03 0.36 0.40 -1.26 -2.75 117.98 112.72 2fuh s PHE 51 Ca 0.33 0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 2fuh s PHE 51 Cb -0.08 -0.20 -0.02 0.00 0.51 0.00 0.00 43.02 43.23 2fuh s PHE 51 CO 0.25 -0.08 -0.06 -0.51 0.70 0.00 0.00 175.22 175.53 2fuh s LEU 52 N 0.91 2.21 -0.03 -0.37 1.02 -1.22 -2.67 118.68 118.53 2fuh s LEU 52 Ca -0.08 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.66 2fuh s LEU 52 Cb -0.11 -0.09 -0.03 0.00 0.02 0.00 0.00 46.19 45.98 2fuh s LEU 52 CO -0.03 -0.18 -0.11 -0.89 0.02 0.00 0.00 176.35 175.16 2fuh s THR 53 N -1.16 3.30 -0.19 5.49 2.01 -1.17 -2.02 115.64 121.90 2fuh s THR 53 Ca -0.10 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2fuh s THR 53 Cb -0.08 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.09 2fuh s THR 53 CO -0.00 0.51 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.64 2fuh s ILE 54 N -0.83 2.24 -0.25 1.82 1.09 -0.94 -3.16 121.20 121.18 2fuh s ILE 54 Ca 0.13 -0.92 -0.08 0.00 -1.10 0.00 0.00 60.65 58.69 2fuh s ILE 54 Cb -0.11 -1.97 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 2fuh s ILE 54 CO 0.03 0.49 0.09 -2.28 -0.10 0.00 0.00 174.94 173.18 2fuh s HIS 55 N 1.31 3.13 0.14 3.97 2.46 -1.23 -2.01 115.29 123.06 2fuh s HIS 55 Ca 0.04 -0.24 -0.04 0.00 0.47 0.00 0.00 55.06 55.29 2fuh s HIS 55 Cb -0.14 -2.24 -0.05 0.00 -0.13 0.00 0.00 32.58 30.02 2fuh s HIS 55 CO -0.11 -0.24 0.36 -0.06 -2.47 0.00 0.00 174.74 172.22 2fuh s PHE 56 N 1.46 3.48 0.52 3.88 0.08 -1.20 -2.52 117.98 123.68 2fuh s PHE 56 Ca 0.06 0.53 -0.23 0.00 0.12 0.00 0.00 56.93 57.41 2fuh s PHE 56 Cb -0.15 -1.98 -0.06 0.00 -0.57 0.00 0.00 43.02 40.26 2fuh s PHE 56 CO 0.05 0.45 1.35 -2.30 -0.10 0.00 0.00 175.22 174.66 2fuh n PRO 57 N 0.09 1.78 -0.02 0.24 -0.02 -1.26 -4.87 135.00 130.94 2fuh n PRO 57 Ca -0.03 0.65 0.02 0.00 -2.02 0.00 0.00 63.50 62.12 2fuh n PRO 57 Cb 0.52 -2.55 0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2fuh n PRO 57 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2fuh n THR 58 N -0.83 0.05 0.07 3.45 -2.24 -1.26 -3.17 114.28 110.35 2fuh n THR 58 Ca 0.09 -0.05 0.01 0.00 -2.27 0.00 0.00 64.05 61.83 2fuh n THR 58 Cb 0.44 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.42 1.77 0.00 3.42 9.92 -1.26 -5.03 116.55 124.95 2fuh n ASP 59 Ca 0.03 -0.34 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 2fuh n ASP 59 Cb 0.04 1.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.57 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 -1.26 0.00 1.66 1.24 4.01 -1.19 -4.88 117.16 116.75 2fuh n TYR 60 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2fuh n TYR 60 Cb 0.05 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.27 2fuh n TYR 60 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2fuh n PRO 61 N -1.37 0.83 0.05 -0.72 -0.04 -1.26 -3.13 135.00 129.35 2fuh n PRO 61 Ca 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2fuh n PRO 61 Cb 0.00 -1.12 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 2fuh n PRO 61 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2fuh h PHE 62 N 0.00 0.00 -3.95 0.54 -5.15 -1.92 -3.37 116.94 103.09 2fuh h PHE 62 Ca 0.00 0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.28 2fuh h PHE 62 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.20 2fuh h PHE 62 CO 0.00 0.60 0.44 0.15 -2.00 0.00 0.00 178.31 177.49 2fuh s LYS 63 N -2.91 4.14 -0.17 6.09 1.02 -1.18 -4.84 119.74 121.89 2fuh s LYS 63 Ca -0.02 1.61 -0.36 0.00 0.02 0.00 0.00 55.97 57.22 2fuh s LYS 63 Cb 0.08 -2.60 -0.13 0.00 -0.52 0.00 0.00 37.83 34.67 2fuh s LYS 63 CO 0.80 -0.18 1.86 -2.30 -0.92 0.00 0.00 175.35 174.60 2fuh n PRO 64 N 0.00 1.77 -1.84 -1.68 -0.02 -1.26 -4.61 135.00 127.36 2fuh n PRO 64 Ca 0.05 0.64 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 2fuh n PRO 64 Cb 0.49 -2.45 0.12 0.00 -0.02 0.00 0.00 33.50 31.63 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 4.05 1.47 -0.37 0.52 0.04 -1.26 -4.78 135.00 134.66 2fuh s PRO 65 Ca 0.96 0.01 0.02 0.00 0.04 0.00 0.00 61.00 62.02 2fuh s PRO 65 Cb -0.83 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 31.92 2fuh s PRO 65 CO 0.57 -1.92 0.13 0.21 0.04 0.00 0.00 177.00 176.03 2fuh s LYS 66 N -5.61 1.26 0.19 4.56 2.20 -1.05 -5.04 119.74 116.25 2fuh s LYS 66 Ca 0.65 -1.74 -0.11 0.00 -0.36 0.00 0.00 55.97 54.41 2fuh s LYS 66 Cb -0.10 -2.66 -0.07 0.00 -1.51 0.00 0.00 37.83 33.50 2fuh s LYS 66 CO 0.51 -1.02 0.53 0.08 -0.36 0.00 0.00 175.35 175.08 2fuh s VAL 67 N 0.87 4.94 -0.04 4.02 1.01 -1.26 -3.47 120.40 126.46 2fuh s VAL 67 Ca 0.13 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 2fuh s VAL 67 Cb -0.20 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2fuh s VAL 67 CO -0.11 0.06 0.23 0.00 0.00 0.00 0.00 175.10 175.27 2fuh s ALA 68 N -1.67 -0.56 -0.36 5.51 0.00 -1.19 -4.61 121.76 118.89 2fuh s ALA 68 Ca 0.43 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 2fuh s ALA 68 Cb -0.13 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2fuh s ALA 68 CO 0.20 -0.18 0.84 0.12 0.00 0.00 0.00 175.76 176.74 2fuh s PHE 69 N -0.69 3.12 -0.05 0.00 2.19 -1.25 -3.02 117.98 118.29 2fuh s PHE 69 Ca -0.08 0.68 -0.25 0.00 0.33 0.00 0.00 56.93 57.61 2fuh s PHE 69 Cb -0.04 -3.46 -0.22 0.00 -1.31 0.00 0.00 43.02 37.99 2fuh s PHE 69 CO 0.02 -0.74 1.07 1.79 1.83 0.00 0.00 175.22 179.19 2fuh h THR 70 N 5.75 1.53 -4.26 0.12 1.35 -1.88 -3.42 112.91 112.11 2fuh h THR 70 Ca -0.24 -1.80 -0.51 0.00 -0.55 0.00 0.00 66.41 63.31 2fuh h THR 70 Cb 1.09 2.65 0.11 0.00 -1.73 0.00 0.00 68.15 70.27 2fuh h THR 70 CO 0.93 0.49 0.35 -0.89 -0.25 0.00 0.00 175.52 176.15 2fuh s THR 71 N -3.32 3.37 -0.91 6.82 2.01 -1.12 -4.94 115.64 117.54 2fuh s THR 71 Ca -0.16 0.54 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 2fuh s THR 71 Cb 0.01 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.52 2fuh s THR 71 CO 0.73 -0.49 1.32 -0.60 -0.69 0.00 0.00 174.62 174.89 2fuh s ARG 72 N -4.50 3.46 0.12 4.92 6.06 -1.26 -4.99 118.95 122.76 2fuh s ARG 72 Ca 0.64 -1.01 0.03 0.00 -2.50 0.00 0.00 55.73 52.89 2fuh s ARG 72 Cb -0.18 -4.93 -0.04 0.00 0.06 0.00 0.00 34.95 29.86 2fuh s ARG 72 CO 0.48 -2.09 0.17 -1.50 -2.50 0.00 0.00 175.30 169.86 2fuh s ILE 73 N 4.69 4.87 -0.47 4.11 1.10 -1.26 -4.82 121.20 129.42 2fuh s ILE 73 Ca 0.39 -0.77 0.05 0.00 -0.51 0.00 0.00 60.65 59.81 2fuh s ILE 73 Cb -0.04 -3.44 0.18 0.00 0.15 0.00 0.00 42.46 39.32 2fuh s ILE 73 CO -0.03 0.00 0.40 0.00 -2.11 0.00 0.00 174.94 173.21 2fuh n TYR 74 N -0.07 0.06 -4.51 3.50 9.36 -1.26 -3.98 117.16 120.25 2fuh n TYR 74 Ca -0.07 -3.55 -0.25 0.00 3.32 0.00 0.00 57.90 57.34 2fuh n TYR 74 Cb 0.53 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.11 2fuh n TYR 74 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2fuh s HIS 75 N -0.46 1.87 0.09 2.98 2.46 -1.08 -4.96 115.29 116.18 2fuh s HIS 75 Ca 0.32 -0.39 -0.21 0.00 0.47 0.00 0.00 55.06 55.25 2fuh s HIS 75 Cb 0.04 -1.08 -0.06 0.00 -0.13 0.00 0.00 32.58 31.35 2fuh s HIS 75 CO -0.18 0.15 1.35 -1.35 -2.47 0.00 0.00 174.74 172.24 2fuh h PRO 76 N 4.51 -0.18 0.00 2.88 0.11 -1.88 0.24 132.00 137.68 2fuh h PRO 76 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2fuh h PRO 76 Cb 1.17 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2fuh h PRO 76 CO 0.42 -0.12 0.00 0.09 -0.21 0.00 0.00 178.00 178.18 2fuh n ASN 77 N -4.40 0.00 -3.81 -2.05 4.13 -1.26 -2.43 115.26 105.44 2fuh n ASN 77 Ca -0.01 -1.68 -0.26 0.00 1.68 0.00 0.00 54.58 54.31 2fuh n ASN 77 Cb 0.20 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.27 2fuh n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2fuh s ILE 78 N -2.00 0.70 0.21 2.41 -1.09 0.83 -3.49 121.20 118.77 2fuh s ILE 78 Ca 0.04 -0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 58.03 2fuh s ILE 78 Cb 0.02 -0.94 -0.07 0.00 -1.58 0.00 0.00 42.46 39.89 2fuh s ILE 78 CO 0.03 0.10 0.55 0.21 -1.23 0.00 0.00 174.94 174.61 2fuh s ASN 79 N 1.81 6.68 0.00 3.58 3.04 -1.10 -2.65 114.94 126.30 2fuh s ASN 79 Ca 0.02 0.97 0.26 0.00 0.04 0.00 0.00 52.86 54.15 2fuh s ASN 79 Cb -0.14 -2.24 1.51 0.00 -1.54 0.00 0.00 41.25 38.83 2fuh s ASN 79 CO -0.07 -0.03 1.92 -1.20 -3.04 0.00 0.00 177.10 174.68 2fuh n SER 80 N 0.09 0.00 -0.07 -4.21 7.64 -1.26 -2.61 113.62 113.20 2fuh n SER 80 Ca -0.01 -0.63 0.13 0.00 1.01 0.00 0.00 58.87 59.37 2fuh n SER 80 Cb 0.52 -0.08 0.43 0.00 -1.01 0.00 0.00 64.21 64.07 2fuh n SER 80 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2fuh n ASN 81 N -1.08 0.50 0.00 6.43 4.05 -1.26 -4.90 115.26 119.01 2fuh n ASN 81 Ca 0.18 -0.31 0.00 0.00 0.45 0.00 0.00 54.58 54.89 2fuh n ASN 81 Cb 0.12 0.02 0.00 0.00 1.23 0.00 0.00 39.78 41.15 2fuh n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2fuh n GLY 82 N 1.42 0.54 3.56 8.20 0.00 -1.07 -4.89 105.19 112.94 2fuh n GLY 82 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.23 6.06 -0.43 1.61 0.01 -1.25 -3.80 113.70 113.66 2fuh s SER 83 Ca 0.00 -0.83 -0.15 0.00 1.31 0.00 0.00 55.95 56.28 2fuh s SER 83 Cb 0.00 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.71 2fuh s SER 83 CO 0.00 -1.89 0.34 -0.63 0.41 0.00 0.00 173.24 171.46 2fuh s ILE 84 N 6.42 5.25 -0.17 1.44 1.01 -1.26 -2.70 121.20 131.19 2fuh s ILE 84 Ca 0.48 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 2fuh s ILE 84 Cb -0.05 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2fuh s ILE 84 CO 0.03 -0.40 1.55 0.00 0.00 0.00 0.00 174.94 176.12 2fuh s LEU 86 N 4.54 1.32 -0.01 0.00 1.43 -1.26 -5.01 118.68 119.69 2fuh s LEU 86 Ca 0.68 0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 53.64 2fuh s LEU 86 Cb -0.26 0.75 -0.18 0.00 0.03 0.00 0.00 46.19 46.53 2fuh s LEU 86 CO 0.26 -0.25 1.21 -0.78 0.23 0.00 0.00 176.35 177.03 2fuh h ASP 87 N 4.92 -0.13 -0.08 2.29 1.82 -1.98 -2.93 116.42 120.34 2fuh h ASP 87 Ca -0.28 -0.36 0.02 0.00 -0.39 0.00 0.00 57.03 56.02 2fuh h ASP 87 Cb 1.19 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.23 2fuh h ASP 87 CO 0.39 0.32 0.38 0.16 -1.61 0.00 0.00 179.24 178.88 2fuh h ILE 88 N -0.61 0.07 -0.22 2.25 -2.65 -1.97 0.37 117.51 114.75 2fuh h ILE 88 Ca -0.02 0.00 -0.07 0.00 1.03 0.00 0.00 64.86 65.80 2fuh h ILE 88 Cb 0.48 0.64 -0.04 0.00 -2.05 0.00 0.00 36.82 35.84 2fuh h ILE 88 CO 0.03 0.00 0.09 -0.11 0.03 0.00 0.00 178.15 178.19 2fuh n LEU 89 N -3.03 3.17 0.00 0.16 0.00 -1.10 -3.47 117.00 112.73 2fuh n LEU 89 Ca -0.00 -1.62 0.00 0.00 0.00 0.00 0.00 56.01 54.38 2fuh n LEU 89 Cb 0.45 -0.57 0.00 0.00 0.00 0.00 0.00 43.42 43.30 2fuh n LEU 89 CO 0.15 0.50 0.00 0.54 0.00 0.00 0.00 177.39 178.59 2fuh n ARG 90 N 0.11 0.00 -0.07 1.96 1.74 0.13 -4.95 116.66 115.58 2fuh n ARG 90 Ca 0.12 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.15 2fuh n ARG 90 Cb 0.67 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.96 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 0.17 -0.95 0.55 2.88 -1.24 -4.27 113.62 110.75 2fuh n SER 91 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2fuh n SER 91 Cb 0.00 0.97 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 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 -2.72 0.67 -3.57 -1.46 6.02 -1.24 -4.80 117.38 110.29 2fuh n GLN 92 Ca -0.25 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.47 2fuh n GLN 92 Cb 1.03 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 31.07 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 0.20 3.48 -0.25 1.08 -0.11 -1.23 -4.41 118.94 117.72 2fuh s TRP 93 Ca 0.00 0.43 -0.26 0.00 1.22 0.00 0.00 56.10 57.49 2fuh s TRP 93 Cb 0.00 -1.93 0.11 0.00 -1.50 0.00 0.00 33.47 30.14 2fuh s TRP 93 CO 0.00 0.30 0.92 -1.12 -4.62 0.00 0.00 176.95 172.43 2fuh s SER 94 N -3.22 -0.53 0.00 5.86 0.01 -1.26 -5.02 113.70 109.54 2fuh s SER 94 Ca 0.40 0.95 0.23 0.00 1.31 0.00 0.00 55.95 58.84 2fuh s SER 94 Cb -0.11 0.93 1.35 0.00 0.21 0.00 0.00 66.02 68.41 2fuh s SER 94 CO 0.30 -0.23 1.73 -0.81 0.41 0.00 0.00 173.24 174.63 2fuh n PRO 95 N 2.05 0.70 -0.12 12.44 -0.04 -1.26 -3.28 135.00 145.49 2fuh n PRO 95 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 2fuh n PRO 95 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2fuh n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fuh n ALA 96 N -1.00 1.28 -1.30 0.55 0.00 -1.26 -4.95 120.51 113.82 2fuh n ALA 96 Ca 0.17 -1.03 -0.38 0.00 0.00 0.00 0.00 53.44 52.19 2fuh n ALA 96 Cb 0.08 -0.10 0.03 0.00 0.00 0.00 0.00 19.45 19.46 2fuh n ALA 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2fuh n LEU 97 N -3.65 -1.96 -4.91 0.00 -0.00 -1.20 -4.95 117.00 100.32 2fuh n LEU 97 Ca -0.47 0.65 -0.31 0.00 -0.00 0.00 0.00 56.01 55.87 2fuh n LEU 97 Cb 0.95 -0.98 -0.04 0.00 -0.00 0.00 0.00 43.42 43.34 2fuh n LEU 97 CO 0.20 -4.15 -0.10 0.28 -0.00 0.00 0.00 177.39 173.61 2fuh s THR 98 N -1.90 5.34 0.56 1.47 -1.32 -1.26 -4.97 115.64 113.55 2fuh s THR 98 Ca 0.60 -0.25 0.29 0.00 -1.21 0.00 0.00 61.69 61.12 2fuh s THR 98 Cb -0.45 -3.62 0.41 0.00 -1.51 0.00 0.00 72.50 67.33 2fuh s THR 98 CO 0.63 0.14 1.93 -0.29 -2.21 0.00 0.00 174.62 174.82 2fuh h ILE 99 N 2.17 0.50 -0.58 5.08 6.09 -1.95 0.10 117.51 128.93 2fuh h ILE 99 Ca -0.46 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 62.99 2fuh h ILE 99 Cb 1.16 0.64 -0.03 0.00 0.47 0.00 0.00 36.82 39.07 2fuh h ILE 99 CO 0.74 0.00 0.17 0.28 -3.07 0.00 0.00 178.15 176.28 2fuh h SER 100 N 0.00 0.81 -0.01 2.19 0.02 -1.98 -1.31 113.55 113.26 2fuh h SER 100 Ca 0.26 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2fuh h SER 100 Cb 1.21 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 2fuh h SER 100 CO -0.00 0.77 -0.08 0.50 -1.14 0.00 0.00 176.83 176.87 2fuh h LYS 101 N 0.85 -0.13 -0.17 3.45 3.64 -1.18 -1.01 116.57 122.01 2fuh h LYS 101 Ca 0.19 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 2fuh h LYS 101 Cb 0.26 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2fuh h LYS 101 CO -0.01 -0.09 -0.41 -0.24 -2.27 0.00 0.00 179.45 176.44 2fuh h VAL 102 N -0.13 1.31 0.00 2.00 3.04 -1.59 -2.10 116.25 118.77 2fuh h VAL 102 Ca 0.04 -1.55 -0.00 0.00 -1.01 0.00 0.00 66.70 64.18 2fuh h VAL 102 Cb 0.18 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2fuh h VAL 102 CO -0.09 0.47 -0.00 0.25 -1.01 0.00 0.00 177.57 177.19 2fuh h LEU 103 N 0.32 -0.00 -1.18 3.16 5.85 -0.83 -2.49 115.31 120.14 2fuh h LEU 103 Ca 0.03 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2fuh h LEU 103 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2fuh h LEU 103 CO 0.07 0.03 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.74 2fuh h LEU 104 N -0.04 0.02 -1.66 2.25 -0.00 -1.16 -2.70 115.31 112.03 2fuh h LEU 104 Ca -0.00 -0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.96 2fuh h LEU 104 Cb 0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.66 2fuh h LEU 104 CO 0.00 0.42 0.38 0.28 -0.00 0.00 0.00 178.44 179.52 2fuh h SER 105 N 0.02 0.36 0.28 -0.43 0.02 -0.92 -0.77 113.55 112.10 2fuh h SER 105 Ca -0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2fuh h SER 105 Cb 0.71 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2fuh h SER 105 CO 0.05 0.22 -0.13 0.40 -1.14 0.00 0.00 176.83 176.23 2fuh h ILE 106 N 0.40 0.57 -0.45 3.27 2.04 -1.28 -2.67 117.51 119.38 2fuh h ILE 106 Ca 0.26 -0.84 0.13 0.00 1.00 0.00 0.00 64.86 65.41 2fuh h ILE 106 Cb 0.49 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2fuh h ILE 106 CO -0.07 0.13 0.38 0.00 0.00 0.00 0.00 178.15 178.59 2fuh h SER 108 N 0.00 0.38 -0.41 0.00 0.02 -1.09 -3.22 113.55 109.22 2fuh h SER 108 Ca 0.21 -0.51 0.04 0.00 -0.84 0.00 0.00 61.79 60.69 2fuh h SER 108 Cb 0.97 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 2fuh h SER 108 CO -0.00 0.81 0.19 0.25 -1.14 0.00 0.00 176.83 176.94 2fuh h LEU 109 N -0.05 0.27 -1.45 5.07 6.46 -0.75 -1.09 115.31 123.76 2fuh h LEU 109 Ca 0.02 0.03 0.32 0.00 -0.12 0.00 0.00 57.88 58.13 2fuh h LEU 109 Cb 0.72 -0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.53 2fuh h LEU 109 CO 0.04 0.20 0.74 0.25 -0.62 0.00 0.00 178.44 179.05 2fuh h LEU 110 N 0.39 0.34 0.17 2.25 7.12 -1.44 -0.62 115.31 123.53 2fuh h LEU 110 Ca 0.18 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 2fuh h LEU 110 Cb 0.11 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 2fuh h LEU 110 CO -0.14 0.00 -0.08 0.00 -0.13 0.00 0.00 178.44 178.09 2fuh s ASP 112 N -5.45 6.13 0.30 0.00 1.01 -0.24 -5.08 116.67 113.34 2fuh s ASP 112 Ca -0.12 -1.11 0.00 0.00 0.71 0.00 0.00 52.55 52.03 2fuh s ASP 112 Cb 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2fuh s ASP 112 CO 0.45 -0.55 0.00 -0.81 0.21 0.00 0.00 175.17 174.47 2fuh n PRO 113 N 5.19 0.69 -2.88 8.23 -0.04 -1.23 -4.63 135.00 140.33 2fuh n PRO 113 Ca -0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 2fuh n PRO 113 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.92 2fuh n PRO 113 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2fuh n ASN 114 N -0.89 -2.43 -4.13 3.54 2.85 -1.26 -5.06 115.26 107.88 2fuh n ASN 114 Ca 0.00 -3.01 -0.42 0.00 -0.11 0.00 0.00 54.58 51.04 2fuh n ASN 114 Cb 0.00 1.23 -0.00 0.00 1.24 0.00 0.00 39.78 42.25 2fuh n ASN 114 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2fuh n PRO 115 N 2.15 2.95 0.17 1.20 -0.04 -1.26 -3.79 135.00 136.38 2fuh n PRO 115 Ca 0.16 -2.88 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 2fuh n PRO 115 Cb 0.58 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 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 7.33 -3.09 -2.97 3.54 2.03 -1.26 -5.02 116.55 117.10 2fuh n ASP 116 Ca 0.50 0.74 -0.14 0.00 0.52 0.00 0.00 54.79 56.42 2fuh n ASP 116 Cb 0.42 2.99 0.02 0.00 -0.72 0.00 0.00 41.12 43.84 2fuh n ASP 116 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2fuh n ASP 117 N -3.25 -0.13 -2.99 1.67 5.68 -1.25 -5.11 116.55 111.16 2fuh n ASP 117 Ca 0.00 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.16 2fuh n ASP 117 Cb 0.00 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2fuh n ASP 117 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2fuh n PRO 118 N 0.21 0.33 0.05 0.11 -0.04 -1.25 -5.00 135.00 129.41 2fuh n PRO 118 Ca 0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 2fuh n PRO 118 Cb 0.70 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 34.02 2fuh n PRO 118 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2fuh h LEU 119 N 0.00 0.46 -7.19 1.53 7.12 -1.85 -3.41 115.31 111.96 2fuh h LEU 119 Ca 0.00 -0.74 -0.63 0.00 0.13 0.00 0.00 57.88 56.63 2fuh h LEU 119 Cb 0.00 -0.15 -0.41 0.00 -0.53 0.00 0.00 40.66 39.57 2fuh h LEU 119 CO 0.00 1.64 -0.57 -0.69 -0.13 0.00 0.00 178.44 178.69 2fuh s VAL 120 N -2.59 2.87 0.64 1.05 1.01 -1.02 -4.94 120.40 117.42 2fuh s VAL 120 Ca -0.14 -3.96 0.30 0.00 0.00 0.00 0.00 61.98 58.18 2fuh s VAL 120 Cb 0.06 -2.91 0.33 0.00 0.00 0.00 0.00 36.38 33.87 2fuh s VAL 120 CO 0.83 -0.94 1.94 -0.65 0.00 0.00 0.00 175.10 176.28 2fuh h PRO 121 N 5.78 0.00 0.18 2.72 0.11 -1.85 -1.89 132.00 137.05 2fuh h PRO 121 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2fuh h PRO 121 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2fuh h PRO 121 CO 0.71 0.00 -0.09 1.49 -0.21 0.00 0.00 178.00 179.91 2fuh h GLU 122 N 0.00 -0.23 0.00 1.05 4.57 -1.95 -0.68 114.58 117.34 2fuh h GLU 122 Ca 0.07 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 2fuh h GLU 122 Cb 0.78 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 2fuh h GLU 122 CO -0.00 -0.08 -0.39 0.82 -1.18 0.00 0.00 179.01 178.18 2fuh h ILE 123 N -0.34 0.92 -0.45 2.32 2.04 -1.71 -3.09 117.51 117.20 2fuh h ILE 123 Ca -0.02 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.19 2fuh h ILE 123 Cb 0.26 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2fuh h ILE 123 CO 0.04 0.38 -0.07 0.00 0.00 0.00 0.00 178.15 178.50 2fuh h ALA 124 N 1.61 0.62 -0.85 1.87 0.00 -1.16 -2.97 119.26 118.38 2fuh h ALA 124 Ca -0.00 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.69 2fuh h ALA 124 Cb 0.91 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2fuh h ALA 124 CO 0.05 0.48 0.49 -0.09 0.00 0.00 0.00 179.25 180.18 2fuh h ARG 125 N 0.69 0.79 0.56 0.00 2.43 -1.04 0.26 114.38 118.07 2fuh h ARG 125 Ca 0.12 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2fuh h ARG 125 Cb 0.60 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2fuh h ARG 125 CO 0.04 0.53 -0.31 0.82 -1.51 0.00 0.00 179.97 179.53 2fuh h ILE 126 N 0.82 0.37 -0.34 1.20 2.04 -1.59 -2.26 117.51 117.74 2fuh h ILE 126 Ca 0.41 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.34 2fuh h ILE 126 Cb 0.38 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2fuh h ILE 126 CO -0.25 0.00 0.24 0.22 0.00 0.00 0.00 178.15 178.36 2fuh h TYR 127 N -0.81 0.15 -0.72 1.37 3.20 -1.33 1.19 116.97 120.02 2fuh h TYR 127 Ca -0.07 0.00 0.15 0.00 3.14 0.00 0.00 58.73 61.95 2fuh h TYR 127 Cb 0.64 -0.05 -0.10 0.00 1.54 0.00 0.00 36.73 38.76 2fuh h TYR 127 CO -0.07 0.08 0.22 -0.22 -1.64 0.00 0.00 178.16 176.53 2fuh h LYS 128 N 0.15 0.32 0.00 1.82 1.63 -0.33 -3.40 116.57 116.76 2fuh h LYS 128 Ca 0.16 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2fuh h LYS 128 Cb 0.44 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2fuh h LYS 128 CO -0.02 0.21 -0.20 0.25 -3.45 0.00 0.00 179.45 176.24 2fuh n THR 129 N -5.09 0.00 -2.34 1.00 -2.24 -0.87 -4.99 114.28 99.75 2fuh n THR 129 Ca 0.14 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.55 2fuh n THR 129 Cb 0.42 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.59 5.89 -0.17 3.42 1.01 0.40 -4.71 116.67 118.93 2fuh s ASP 130 Ca 0.00 -0.82 0.17 0.00 0.71 0.00 0.00 52.55 52.61 2fuh s ASP 130 Cb 0.00 -2.56 -0.25 0.00 1.01 0.00 0.00 42.92 41.12 2fuh s ASP 130 CO 0.00 -2.04 0.20 -1.14 0.21 0.00 0.00 175.17 172.40 2fuh n ARG 131 N 9.00 0.68 -0.02 8.23 3.00 -1.26 -3.23 116.66 133.06 2fuh n ARG 131 Ca 0.28 0.06 -0.09 0.00 -0.00 0.00 0.00 57.85 58.09 2fuh n ARG 131 Cb 0.50 -1.58 0.06 0.00 0.00 0.00 0.00 32.46 31.43 2fuh n ARG 131 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2fuh h ASP 132 N 0.00 0.68 0.41 6.15 1.82 -1.94 -3.13 116.42 120.40 2fuh h ASP 132 Ca -0.49 -0.34 -0.31 0.00 -0.39 0.00 0.00 57.03 55.50 2fuh h ASP 132 Cb 2.20 -0.19 0.01 0.00 0.68 0.00 0.00 39.33 42.03 2fuh h ASP 132 CO 0.04 1.05 -1.46 0.50 -1.61 0.00 0.00 179.24 177.76 2fuh h LYS 133 N 0.49 0.38 -0.81 0.28 3.11 -1.96 -3.22 116.57 114.83 2fuh h LYS 133 Ca 0.02 -0.64 0.23 0.00 -2.81 0.00 0.00 60.65 57.45 2fuh h LYS 133 Cb 1.03 0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 32.46 2fuh h LYS 133 CO 0.10 1.28 0.58 -0.92 -2.81 0.00 0.00 179.45 177.68 2fuh h TYR 134 N 0.10 0.10 0.03 1.91 5.03 -1.55 0.19 116.97 122.78 2fuh h TYR 134 Ca -0.23 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 60.83 2fuh h TYR 134 Cb 2.07 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 40.29 2fuh h TYR 134 CO 0.09 0.03 -1.26 -2.95 -1.32 0.00 0.00 178.16 172.75 2fuh h ASN 135 N 0.08 0.09 0.01 -2.11 7.08 -1.60 -3.02 115.58 116.09 2fuh h ASN 135 Ca 0.39 -0.11 -0.00 0.00 -3.08 0.00 0.00 56.30 53.50 2fuh h ASN 135 Cb 1.45 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.66 2fuh h ASN 135 CO -0.04 1.09 -0.00 -0.09 -2.08 0.00 0.00 177.43 176.31 2fuh h ARG 136 N 0.02 -0.01 0.28 4.14 2.43 -0.65 0.28 114.38 120.88 2fuh h ARG 136 Ca -0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2fuh h ARG 136 Cb 1.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 2fuh h ARG 136 CO 0.13 0.15 -0.14 0.82 -1.51 0.00 0.00 179.97 179.42 2fuh h ILE 137 N -0.16 0.76 -0.09 1.20 5.03 -1.52 -1.63 117.51 121.09 2fuh h ILE 137 Ca -0.00 -0.33 0.04 0.00 -0.12 0.00 0.00 64.86 64.45 2fuh h ILE 137 Cb 0.16 0.95 -0.05 0.00 -3.03 0.00 0.00 36.82 34.84 2fuh h ILE 137 CO 0.00 0.07 -0.24 0.28 -0.68 0.00 0.00 178.15 177.58 2fuh h SER 138 N -0.56 -0.73 -0.24 1.72 0.02 -1.52 0.20 113.55 112.45 2fuh h SER 138 Ca -0.04 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 2fuh h SER 138 Cb 0.41 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2fuh h SER 138 CO 0.06 -0.30 0.29 0.03 -1.14 0.00 0.00 176.83 175.78 2fuh h ARG 139 N -0.33 0.00 0.00 3.45 2.47 -0.39 -0.26 114.38 119.32 2fuh h ARG 139 Ca 0.09 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2fuh h ARG 139 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2fuh h ARG 139 CO -0.27 0.00 -0.00 1.49 0.56 0.00 0.00 179.97 181.74 2fuh h GLU 140 N 0.00 -0.00 0.00 0.04 4.81 0.36 -3.14 114.58 116.65 2fuh h GLU 140 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2fuh h GLU 140 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2fuh h GLU 140 CO -0.00 0.67 0.00 0.91 -0.73 0.00 0.00 179.01 179.86 2fuh n TRP 141 N -4.77 0.00 0.05 0.92 7.02 -0.56 -3.05 117.44 117.05 2fuh n TRP 141 Ca -0.09 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.35 2fuh n TRP 141 Cb 0.33 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.21 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 0.00 -0.99 2.02 -1.04 -3.13 112.91 109.77 2fuh h THR 142 Ca 0.00 -0.79 -0.19 0.00 0.77 0.00 0.00 66.41 66.20 2fuh h THR 142 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 2fuh h THR 142 CO 0.00 0.00 -0.86 -0.61 0.37 0.00 0.00 175.52 174.42 2fuh h GLN 143 N -1.03 0.13 -0.32 6.66 4.15 -1.66 0.40 115.11 123.44 2fuh h GLN 143 Ca -0.02 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.32 2fuh h GLN 143 Cb 0.18 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.83 2fuh h GLN 143 CO 0.04 0.91 -0.33 -0.22 -1.93 0.00 0.00 178.83 177.30 2fuh h LYS 144 N 0.07 -0.28 0.00 1.69 3.64 -1.70 -3.39 116.57 116.59 2fuh h LYS 144 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2fuh h LYS 144 Cb 1.49 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2fuh h LYS 144 CO 0.12 -0.19 -0.38 0.66 -2.27 0.00 0.00 179.45 177.40 2fuh n TYR 145 N -5.41 0.00 -0.03 1.91 4.01 -1.24 -4.81 117.16 111.59 2fuh n TYR 145 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2fuh n TYR 145 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.31 2.45 -1.83 -0.72 0.00 0.12 -4.96 120.51 114.26 2fuh n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2fuh n ALA 146 Cb 0.19 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2fuh n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17