#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 -0.07 0.00 4.07 -1.98 -2.37 115.31 114.96 2fuh h LEU 3 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2fuh h LEU 3 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2fuh h LEU 3 CO 0.00 0.25 0.04 0.11 -1.08 0.00 0.00 178.44 177.76 2fuh h LYS 4 N 0.00 0.09 -0.43 1.13 1.57 -2.01 0.56 116.57 117.49 2fuh h LYS 4 Ca -0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2fuh h LYS 4 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2fuh h LYS 4 CO 0.03 0.12 -0.24 -0.09 -0.57 0.00 0.00 179.45 178.70 2fuh h ARG 5 N 0.03 0.89 -0.08 3.15 9.65 -1.94 -3.00 114.38 123.08 2fuh h ARG 5 Ca 0.02 -0.38 -0.02 0.00 -1.10 0.00 0.00 59.98 58.50 2fuh h ARG 5 Cb 0.06 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2fuh h ARG 5 CO -0.00 1.03 -0.02 0.82 2.80 0.00 0.00 179.97 184.60 2fuh h ILE 6 N 0.76 1.30 -0.28 1.20 2.04 -1.22 -2.72 117.51 118.58 2fuh h ILE 6 Ca 0.10 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.09 2fuh h ILE 6 Cb 0.79 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2fuh h ILE 6 CO 0.07 0.26 0.40 -1.13 0.00 0.00 0.00 178.15 177.74 2fuh h ASN 7 N -0.19 0.00 0.10 1.72 -0.00 0.15 0.33 115.58 117.69 2fuh h ASN 7 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.20 2fuh h ASN 7 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 2fuh h ASN 7 CO 0.01 0.00 -0.40 0.50 -0.00 0.00 0.00 177.43 177.54 2fuh h LYS 8 N 0.00 0.39 0.00 6.67 3.64 -1.34 -2.71 116.57 123.23 2fuh h LYS 8 Ca 0.13 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2fuh h LYS 8 Cb 0.92 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2fuh h LYS 8 CO -0.00 0.73 -0.02 0.93 -2.27 0.00 0.00 179.45 178.82 2fuh h GLU 9 N 0.32 0.00 0.00 1.90 5.08 -0.39 -0.72 114.58 120.78 2fuh h GLU 9 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2fuh h GLU 9 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2fuh h GLU 9 CO 0.07 0.02 -0.28 1.25 -1.00 0.00 0.00 179.01 179.07 2fuh h LEU 10 N 0.00 0.00 -1.60 1.33 6.46 -1.52 -2.07 115.31 117.91 2fuh h LEU 10 Ca -0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 2fuh h LEU 10 Cb 0.04 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2fuh h LEU 10 CO 0.00 0.28 -0.21 0.28 -0.62 0.00 0.00 178.44 178.17 2fuh h SER 11 N 0.00 0.00 0.55 1.25 0.02 -1.21 -2.28 113.55 111.88 2fuh h SER 11 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2fuh h SER 11 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2fuh h SER 11 CO 0.04 0.21 -0.67 -0.78 -1.14 0.00 0.00 176.83 174.50 2fuh h ASP 12 N 0.00 0.12 1.46 3.07 1.82 -1.42 -2.89 116.42 118.58 2fuh h ASP 12 Ca -0.00 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2fuh h ASP 12 Cb 0.47 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.44 2fuh h ASP 12 CO 0.03 0.75 -0.05 -0.07 -1.61 0.00 0.00 179.24 178.29 2fuh h LEU 13 N 0.07 0.00 0.00 2.28 3.38 -1.40 -2.87 115.31 116.76 2fuh h LEU 13 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2fuh h LEU 13 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2fuh h LEU 13 CO 0.09 0.05 -0.19 0.00 0.09 0.00 0.00 178.44 178.49 2fuh h ALA 14 N 1.95 0.89 -3.00 1.53 0.00 -1.31 -3.33 119.26 115.99 2fuh h ALA 14 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fuh h ALA 14 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2fuh h ALA 14 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 2fuh n ARG 15 N -2.61 0.00 -3.85 0.00 1.74 -1.09 -4.85 116.66 105.99 2fuh n ARG 15 Ca 0.04 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 2fuh n ARG 15 Cb 0.48 -0.12 -0.11 0.00 -1.02 0.00 0.00 32.46 31.68 2fuh n ARG 15 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2fuh s ASP 16 N -1.00 4.90 0.83 0.55 -1.08 -1.22 -5.10 116.67 114.55 2fuh s ASP 16 Ca 0.00 -3.44 -0.15 0.00 -0.52 0.00 0.00 52.55 48.44 2fuh s ASP 16 Cb 0.00 -1.71 -0.03 0.00 -1.46 0.00 0.00 42.92 39.72 2fuh s ASP 16 CO 0.00 -0.18 0.26 -2.65 0.52 0.00 0.00 175.17 173.12 2fuh n PRO 17 N 2.59 0.03 -2.32 4.34 -0.02 -1.25 -4.90 135.00 133.46 2fuh n PRO 17 Ca 0.14 0.05 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 2fuh n PRO 17 Cb 0.35 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 2fuh n PRO 17 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2fuh s PRO 18 N -2.87 4.50 -0.08 0.52 0.04 -1.26 -4.98 135.00 130.87 2fuh s PRO 18 Ca 0.58 1.97 -0.24 0.00 0.04 0.00 0.00 61.00 63.36 2fuh s PRO 18 Cb -0.28 -3.12 -0.20 0.00 0.04 0.00 0.00 34.50 30.94 2fuh s PRO 18 CO 0.65 0.03 0.88 0.00 0.04 0.00 0.00 177.00 178.60 2fuh h ALA 19 N 3.58 -0.07 0.01 8.56 0.00 -2.03 -3.39 119.26 125.91 2fuh h ALA 19 Ca -0.48 -0.31 -0.38 0.00 0.00 0.00 0.00 54.91 53.74 2fuh h ALA 19 Cb 1.22 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2fuh h ALA 19 CO 0.66 -0.16 -2.38 0.00 0.00 0.00 0.00 179.25 177.36 2fuh n GLN 20 N -4.79 0.67 -1.62 0.00 10.64 -1.26 -4.98 117.38 116.04 2fuh n GLN 20 Ca -0.08 0.09 -0.30 0.00 -1.83 0.00 0.00 57.00 54.88 2fuh n GLN 20 Cb 0.32 -1.54 0.18 0.00 -0.86 0.00 0.00 30.24 28.34 2fuh n GLN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2fuh s SER 22 N -4.40 -0.94 0.25 0.00 0.01 -1.15 -4.56 113.70 102.91 2fuh s SER 22 Ca 0.70 -0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.89 2fuh s SER 22 Cb -0.09 1.40 -0.05 0.00 0.21 0.00 0.00 66.02 67.49 2fuh s SER 22 CO 0.53 -0.14 -0.15 0.00 0.41 0.00 0.00 173.24 173.89 2fuh s ALA 23 N 2.43 2.41 0.00 1.44 0.00 -1.26 -2.48 121.76 124.30 2fuh s ALA 23 Ca 0.18 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2fuh s ALA 23 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2fuh s ALA 23 CO -0.18 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2fuh n GLY 24 N -0.53 1.87 3.72 0.00 0.00 -1.09 -5.01 105.19 104.16 2fuh n GLY 24 Ca -0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 4.45 -0.39 1.61 0.04 -1.26 -2.80 135.00 134.66 2fuh s PRO 25 Ca 0.00 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.87 2fuh s PRO 25 Cb 0.00 -3.30 0.12 0.00 0.04 0.00 0.00 34.50 31.36 2fuh s PRO 25 CO 0.00 -0.20 0.18 0.14 0.04 0.00 0.00 177.00 177.16 2fuh s VAL 26 N 0.63 1.24 0.00 -0.36 -7.23 -1.24 -5.00 120.40 108.45 2fuh s VAL 26 Ca 0.57 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2fuh s VAL 26 Cb -0.31 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2fuh s VAL 26 CO 0.32 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 2fuh n GLY 27 N 4.03 3.59 0.00 2.32 0.00 -1.26 -4.87 105.19 109.00 2fuh n GLY 27 Ca 0.05 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.65 2fuh n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fuh n ASP 28 N 0.00 0.00 -3.91 1.61 8.00 -1.26 -4.61 116.55 116.38 2fuh n ASP 28 Ca 0.00 -0.92 -0.21 0.00 0.71 0.00 0.00 54.79 54.37 2fuh n ASP 28 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 2fuh n ASP 28 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2fuh s ASP 29 N -1.82 1.23 0.00 -2.24 1.01 -1.26 -5.00 116.67 108.59 2fuh s ASP 29 Ca 0.27 -0.17 0.08 0.00 0.71 0.00 0.00 52.55 53.44 2fuh s ASP 29 Cb 0.12 -0.54 0.47 0.00 1.01 0.00 0.00 42.92 43.98 2fuh s ASP 29 CO 0.21 -0.05 1.07 0.23 0.21 0.00 0.00 175.17 176.84 2fuh n MET 30 N 4.14 0.72 0.00 8.23 2.81 -1.26 -3.13 117.12 128.64 2fuh n MET 30 Ca -0.22 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.71 2fuh n MET 30 Cb 0.51 -1.17 0.23 0.00 -0.71 0.00 0.00 33.22 32.08 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 -0.67 0.00 -3.67 2.03 3.72 -1.26 -4.61 117.46 113.00 2fuh n PHE 31 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.34 2fuh n PHE 31 Cb 0.03 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.44 2fuh n PHE 31 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2fuh s HIS 32 N -2.00 -0.49 0.50 1.38 3.76 -1.18 -3.72 115.29 113.53 2fuh s HIS 32 Ca 0.12 1.07 0.03 0.00 -0.15 0.00 0.00 55.06 56.13 2fuh s HIS 32 Cb 0.05 0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.77 2fuh s HIS 32 CO 0.09 -0.37 0.08 -1.58 -0.85 0.00 0.00 174.74 172.11 2fuh s TRP 33 N 2.36 1.92 0.06 1.40 0.52 -1.16 -3.62 118.94 120.41 2fuh s TRP 33 Ca -0.00 -0.89 -0.05 0.00 0.02 0.00 0.00 56.10 55.18 2fuh s TRP 33 Cb -0.12 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 2fuh s TRP 33 CO -0.09 0.14 0.08 -1.14 0.02 0.00 0.00 176.95 175.95 2fuh s GLN 34 N -3.93 0.66 -0.09 4.98 2.00 -1.12 -3.68 119.66 118.48 2fuh s GLN 34 Ca 0.15 -0.95 -0.30 0.00 -2.00 0.00 0.00 55.36 52.25 2fuh s GLN 34 Cb 0.02 0.25 0.08 0.00 0.80 0.00 0.00 33.01 34.17 2fuh s GLN 34 CO 0.08 -0.17 0.77 0.00 -0.50 0.00 0.00 175.29 175.47 2fuh s ALA 35 N -3.35 -1.81 0.02 1.58 0.00 -1.12 -2.68 121.76 114.39 2fuh s ALA 35 Ca 0.01 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 2fuh s ALA 35 Cb 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 2fuh s ALA 35 CO -0.08 -0.35 0.12 0.95 0.00 0.00 0.00 175.76 176.39 2fuh s THR 36 N -1.05 0.11 -0.17 0.00 -4.23 -1.04 -2.86 115.64 106.40 2fuh s THR 36 Ca -0.08 -0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 59.47 2fuh s THR 36 Cb -0.01 -0.63 0.06 0.00 1.34 0.00 0.00 72.50 73.27 2fuh s THR 36 CO 0.07 -0.48 0.41 0.27 -0.54 0.00 0.00 174.62 174.35 2fuh s ILE 37 N -1.94 -0.13 0.15 2.99 -4.36 -1.22 -2.93 121.20 113.77 2fuh s ILE 37 Ca -0.10 0.11 -0.21 0.00 -0.26 0.00 0.00 60.65 60.18 2fuh s ILE 37 Cb -0.05 -0.61 -0.08 0.00 1.25 0.00 0.00 42.46 42.97 2fuh s ILE 37 CO -0.01 0.04 0.68 -0.32 0.24 0.00 0.00 174.94 175.58 2fuh s MET 38 N 1.61 4.33 -0.48 0.37 1.75 -1.26 -3.46 119.30 122.15 2fuh s MET 38 Ca -0.08 0.91 -0.43 0.00 -1.25 0.00 0.00 55.69 54.84 2fuh s MET 38 Cb -0.09 -3.12 -0.18 0.00 2.84 0.00 0.00 34.83 34.28 2fuh s MET 38 CO -0.13 0.53 2.06 0.41 -0.65 0.00 0.00 175.02 177.24 2fuh n GLY 39 N 1.32 -0.14 3.23 2.11 0.00 -0.78 -4.80 105.19 106.13 2fuh n GLY 39 Ca -0.06 1.08 -0.37 0.00 0.00 0.00 0.00 46.02 46.67 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 7.18 0.05 -2.02 1.61 -0.02 -1.26 -4.30 135.00 136.23 2fuh n PRO 40 Ca 0.53 0.03 -0.29 0.00 -2.02 0.00 0.00 63.50 61.74 2fuh n PRO 40 Cb -0.04 -1.29 0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2fuh n PRO 40 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2fuh s ASN 41 N -1.21 5.71 -1.54 2.55 0.01 -1.26 -3.80 114.94 115.41 2fuh s ASN 41 Ca 0.53 1.11 -0.02 0.00 -0.71 0.00 0.00 52.86 53.77 2fuh s ASN 41 Cb -0.32 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.30 2fuh s ASN 41 CO 0.70 -1.13 0.25 -0.67 -1.51 0.00 0.00 177.10 174.74 2fuh n ASP 42 N -2.82 -5.61 -3.62 -1.22 -0.08 -1.26 -4.98 116.55 96.96 2fuh n ASP 42 Ca 0.06 -0.13 -0.15 0.00 -1.51 0.00 0.00 54.79 53.06 2fuh n ASP 42 Cb 0.56 -4.56 -0.07 0.00 2.34 0.00 0.00 41.12 39.39 2fuh n ASP 42 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2fuh s SER 43 N -2.41 -0.58 0.32 1.67 0.15 -1.26 -5.04 113.70 106.55 2fuh s SER 43 Ca 0.12 0.84 0.09 0.00 0.70 0.00 0.00 55.95 57.71 2fuh s SER 43 Cb -0.05 0.81 0.95 0.00 -1.71 0.00 0.00 66.02 66.01 2fuh s SER 43 CO 0.15 -0.41 1.48 -2.65 1.20 0.00 0.00 173.24 173.02 2fuh n PRO 44 N 1.77 -0.07 0.17 5.44 -0.02 -1.26 0.76 135.00 141.79 2fuh n PRO 44 Ca -0.17 1.37 0.03 0.00 -2.02 0.00 0.00 63.50 62.71 2fuh n PRO 44 Cb 0.56 -2.28 0.15 0.00 -0.02 0.00 0.00 33.50 31.91 2fuh n PRO 44 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2fuh h TYR 45 N 0.00 0.00 -1.17 6.00 0.05 -1.91 -3.41 116.97 116.52 2fuh h TYR 45 Ca 0.67 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 58.69 2fuh h TYR 45 Cb 1.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.30 2fuh h TYR 45 CO -0.29 0.00 1.00 1.04 -1.05 0.00 0.00 178.16 178.86 2fuh n GLN 46 N -1.90 0.78 -1.46 4.88 1.13 0.23 -2.17 117.38 118.88 2fuh n GLN 46 Ca -0.00 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 2fuh n GLN 46 Cb 0.58 -1.97 0.00 0.00 0.11 0.00 0.00 30.24 28.95 2fuh n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fuh n GLY 47 N 4.98 0.86 3.15 1.08 0.00 -1.26 -5.04 105.19 108.95 2fuh n GLY 47 Ca 0.33 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.92 -1.16 0.42 -0.02 0.00 -0.92 -4.78 107.32 97.94 2fuh s GLY 48 Ca 0.00 1.37 -0.21 0.00 0.00 0.00 0.00 44.72 45.88 2fuh s GLY 48 CO 0.00 3.66 0.94 -1.34 0.00 0.00 0.00 173.10 176.36 2fuh s VAL 49 N 2.85 4.41 -0.08 1.40 -7.23 -1.24 -1.87 120.40 118.64 2fuh s VAL 49 Ca 0.13 1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 61.71 2fuh s VAL 49 Cb -0.10 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.25 2fuh s VAL 49 CO -0.24 -0.30 0.20 -0.36 -0.31 0.00 0.00 175.10 174.09 2fuh s PHE 50 N -2.15 -0.23 0.11 2.82 0.08 -1.22 -4.62 117.98 112.75 2fuh s PHE 50 Ca 0.61 0.58 0.06 0.00 0.12 0.00 0.00 56.93 58.30 2fuh s PHE 50 Cb -0.09 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.36 2fuh s PHE 50 CO 0.14 -0.14 -0.02 -0.06 -0.10 0.00 0.00 175.22 175.03 2fuh s PHE 51 N 0.52 2.92 -0.05 0.36 0.40 -1.26 -3.40 117.98 117.47 2fuh s PHE 51 Ca -0.03 -0.07 -0.17 0.00 -0.60 0.00 0.00 56.93 56.05 2fuh s PHE 51 Cb -0.05 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.03 2fuh s PHE 51 CO -0.03 0.48 0.39 -0.48 0.70 0.00 0.00 175.22 176.28 2fuh s LEU 52 N -2.41 0.50 0.37 -0.37 2.34 -1.13 -1.43 118.68 116.56 2fuh s LEU 52 Ca 0.25 0.37 0.08 0.00 0.06 0.00 0.00 54.13 54.89 2fuh s LEU 52 Cb -0.11 1.51 -0.07 0.00 -0.56 0.00 0.00 46.19 46.96 2fuh s LEU 52 CO 0.18 -0.40 -0.04 -0.89 -1.06 0.00 0.00 176.35 174.13 2fuh s THR 53 N -0.94 2.16 -0.04 5.48 2.01 -0.98 -2.80 115.64 120.52 2fuh s THR 53 Ca -0.10 -2.11 -0.01 0.00 0.31 0.00 0.00 61.69 59.79 2fuh s THR 53 Cb -0.04 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.70 2fuh s THR 53 CO 0.04 -0.12 0.02 -0.63 -0.69 0.00 0.00 174.62 173.24 2fuh s ILE 54 N -2.65 0.15 0.22 1.82 1.09 -1.24 -3.02 121.20 117.57 2fuh s ILE 54 Ca 0.34 0.19 0.01 0.00 -1.10 0.00 0.00 60.65 60.09 2fuh s ILE 54 Cb 0.05 -0.31 -0.04 0.00 -1.06 0.00 0.00 42.46 41.11 2fuh s ILE 54 CO 0.17 0.19 0.39 -1.00 -0.10 0.00 0.00 174.94 174.58 2fuh s HIS 55 N 1.60 3.48 -0.23 3.97 3.76 -1.24 -2.99 115.29 123.64 2fuh s HIS 55 Ca -0.02 0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.11 2fuh s HIS 55 Cb -0.13 -1.78 0.08 0.00 1.11 0.00 0.00 32.58 31.86 2fuh s HIS 55 CO -0.03 0.38 0.08 -0.06 -0.85 0.00 0.00 174.74 174.26 2fuh s PHE 56 N -1.92 0.86 0.55 1.40 0.40 -1.24 -3.63 117.98 114.40 2fuh s PHE 56 Ca 0.37 -0.94 -0.12 0.00 -0.60 0.00 0.00 56.93 55.64 2fuh s PHE 56 Cb -0.11 -1.08 -0.06 0.00 0.51 0.00 0.00 43.02 42.29 2fuh s PHE 56 CO 0.30 -0.69 0.97 -1.25 0.70 0.00 0.00 175.22 175.25 2fuh s PRO 57 N 1.91 3.74 0.40 0.24 0.04 -1.26 -4.88 135.00 135.19 2fuh s PRO 57 Ca 0.04 0.75 0.19 0.00 0.04 0.00 0.00 61.00 62.02 2fuh s PRO 57 Cb -0.17 -2.15 1.12 0.00 0.04 0.00 0.00 34.50 33.34 2fuh s PRO 57 CO -0.18 -0.38 1.77 1.79 0.04 0.00 0.00 177.00 180.04 2fuh h THR 58 N 0.30 0.52 -0.33 1.26 1.35 -2.01 1.46 112.91 115.47 2fuh h THR 58 Ca -0.46 -0.13 -0.08 0.00 -0.55 0.00 0.00 66.41 65.20 2fuh h THR 58 Cb 1.19 0.11 -0.05 0.00 -1.73 0.00 0.00 68.15 67.67 2fuh h THR 58 CO 0.62 0.07 0.10 0.47 -0.25 0.00 0.00 175.52 176.52 2fuh n ASP 59 N -4.61 3.26 -0.27 5.36 9.92 -1.26 -4.56 116.55 124.39 2fuh n ASP 59 Ca 0.25 -2.53 -0.03 0.00 -0.53 0.00 0.00 54.79 51.95 2fuh n ASP 59 Cb 0.89 -0.61 0.03 0.00 -0.64 0.00 0.00 41.12 40.79 2fuh n ASP 59 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2fuh h TYR 60 N 1.43 -0.93 0.00 1.24 3.20 0.19 1.52 116.97 123.62 2fuh h TYR 60 Ca 0.09 0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2fuh h TYR 60 Cb 1.41 0.52 0.00 0.00 1.54 0.00 0.00 36.73 40.19 2fuh h TYR 60 CO 0.59 -0.39 0.08 -0.35 -1.64 0.00 0.00 178.16 176.45 2fuh n PRO 61 N -5.46 0.00 0.00 1.82 -0.04 -1.26 -2.16 135.00 127.91 2fuh n PRO 61 Ca 0.07 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2fuh n PRO 61 Cb 0.38 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2fuh n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fuh n PHE 62 N -1.27 0.00 -3.84 0.54 3.72 0.28 -4.60 117.46 112.28 2fuh n PHE 62 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 2fuh n PHE 62 Cb 0.08 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.49 2fuh n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2fuh s LYS 63 N -1.84 3.42 0.99 -1.08 -0.14 0.45 -5.09 119.74 116.45 2fuh s LYS 63 Ca 0.00 -0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 53.85 2fuh s LYS 63 Cb 0.00 -3.16 0.05 0.00 -1.68 0.00 0.00 37.83 33.05 2fuh s LYS 63 CO 0.00 -0.23 0.31 -2.30 -0.76 0.00 0.00 175.35 172.37 2fuh n PRO 64 N 4.84 -0.62 -1.70 -1.68 -0.02 -1.26 -4.18 135.00 130.38 2fuh n PRO 64 Ca -0.17 -0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 60.87 2fuh n PRO 64 Cb 0.51 -1.82 0.08 0.00 -0.02 0.00 0.00 33.50 32.24 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 -3.59 2.34 -0.73 0.52 0.04 -1.26 -4.87 135.00 127.44 2fuh s PRO 65 Ca 0.57 0.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.04 2fuh s PRO 65 Cb -0.19 -1.96 0.19 0.00 0.04 0.00 0.00 34.50 32.59 2fuh s PRO 65 CO 0.67 -1.41 0.62 0.15 0.04 0.00 0.00 177.00 177.07 2fuh s LYS 66 N -5.27 3.13 0.09 4.56 3.01 -1.24 -4.91 119.74 119.11 2fuh s LYS 66 Ca 0.60 -2.49 -0.29 0.00 -1.01 0.00 0.00 55.97 52.78 2fuh s LYS 66 Cb -0.13 -4.11 -0.06 0.00 -1.01 0.00 0.00 37.83 32.52 2fuh s LYS 66 CO 0.53 -1.24 0.93 0.08 0.51 0.00 0.00 175.35 176.16 2fuh s VAL 67 N 0.07 4.56 -0.03 3.17 1.01 -1.26 -3.60 120.40 124.33 2fuh s VAL 67 Ca 0.17 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 64.12 2fuh s VAL 67 Cb -0.15 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2fuh s VAL 67 CO -0.06 0.32 0.07 0.00 0.00 0.00 0.00 175.10 175.42 2fuh s ALA 68 N 0.04 -0.16 -0.46 5.51 0.00 -1.17 -4.04 121.76 121.49 2fuh s ALA 68 Ca 0.46 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 2fuh s ALA 68 Cb -0.23 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2fuh s ALA 68 CO 0.28 -0.04 0.95 -0.06 0.00 0.00 0.00 175.76 176.90 2fuh s PHE 69 N 0.15 2.92 0.58 0.00 0.08 -1.25 -2.32 117.98 118.12 2fuh s PHE 69 Ca -0.01 0.45 0.43 0.00 0.12 0.00 0.00 56.93 57.92 2fuh s PHE 69 Cb -0.02 -4.02 2.27 0.00 -0.57 0.00 0.00 43.02 40.68 2fuh s PHE 69 CO -0.00 -1.11 2.31 1.79 -0.10 0.00 0.00 175.22 178.11 2fuh h THR 70 N 6.09 0.00 -3.39 0.64 1.35 -1.61 -3.36 112.91 112.63 2fuh h THR 70 Ca -0.24 -0.09 -0.72 0.00 -0.55 0.00 0.00 66.41 64.82 2fuh h THR 70 Cb 1.07 1.09 -0.28 0.00 -1.73 0.00 0.00 68.15 68.29 2fuh h THR 70 CO 1.04 0.00 -0.44 -0.89 -0.25 0.00 0.00 175.52 174.98 2fuh s THR 71 N -4.07 4.22 -0.27 6.82 2.01 -1.24 -4.98 115.64 118.13 2fuh s THR 71 Ca -0.04 -1.54 -0.36 0.00 0.31 0.00 0.00 61.69 60.06 2fuh s THR 71 Cb 0.12 -3.66 -0.12 0.00 0.01 0.00 0.00 72.50 68.85 2fuh s THR 71 CO 0.43 -0.61 2.01 -1.14 -0.69 0.00 0.00 174.62 174.63 2fuh n ARG 72 N 4.91 1.37 -4.36 4.92 0.00 -1.26 -4.90 116.66 117.35 2fuh n ARG 72 Ca -0.09 0.45 -0.25 0.00 -0.00 0.00 0.00 57.85 57.95 2fuh n ARG 72 Cb 0.42 -2.43 -0.10 0.00 0.00 0.00 0.00 32.46 30.35 2fuh n ARG 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2fuh s ILE 73 N 5.68 2.92 -0.57 5.15 2.07 -1.26 -4.96 121.20 130.24 2fuh s ILE 73 Ca 1.03 -1.94 -0.03 0.00 -1.41 0.00 0.00 60.65 58.30 2fuh s ILE 73 Cb -0.86 -2.48 0.21 0.00 0.13 0.00 0.00 42.46 39.45 2fuh s ILE 73 CO 0.54 -0.23 2.38 0.00 -1.91 0.00 0.00 174.94 175.72 2fuh n TYR 74 N -0.25 2.16 -3.58 3.50 9.36 -1.26 -4.85 117.16 122.24 2fuh n TYR 74 Ca -0.09 -2.17 -0.39 0.00 3.32 0.00 0.00 57.90 58.57 2fuh n TYR 74 Cb 0.57 -1.28 -0.11 0.00 -0.63 0.00 0.00 39.34 37.89 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 -2.64 3.21 0.24 2.98 2.46 -1.26 -4.89 115.29 115.39 2fuh s HIS 75 Ca 0.54 -0.25 -0.11 0.00 0.47 0.00 0.00 55.06 55.71 2fuh s HIS 75 Cb 0.40 -2.42 0.32 0.00 -0.13 0.00 0.00 32.58 30.74 2fuh s HIS 75 CO -0.23 -0.35 1.60 -1.35 -2.47 0.00 0.00 174.74 171.94 2fuh h PRO 76 N 8.43 -0.00 0.00 2.88 0.11 -1.91 1.01 132.00 142.52 2fuh h PRO 76 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2fuh h PRO 76 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2fuh h PRO 76 CO 0.61 -0.00 0.05 0.09 -0.21 0.00 0.00 178.00 178.54 2fuh n ASN 77 N -5.51 0.00 -3.78 -2.05 5.03 -1.26 -3.76 115.26 103.93 2fuh n ASN 77 Ca 0.11 0.17 -0.15 0.00 0.87 0.00 0.00 54.58 55.58 2fuh n ASN 77 Cb 0.40 -0.17 -0.16 0.00 -1.02 0.00 0.00 39.78 38.82 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 -2.22 -0.05 0.48 2.41 1.09 0.35 -2.52 121.20 120.74 2fuh s ILE 78 Ca 0.00 0.20 -0.03 0.00 -1.10 0.00 0.00 60.65 59.72 2fuh s ILE 78 Cb 0.00 -0.07 0.10 0.00 -1.06 0.00 0.00 42.46 41.43 2fuh s ILE 78 CO 0.00 0.08 0.66 0.59 -0.10 0.00 0.00 174.94 176.17 2fuh n ASN 79 N 4.09 0.56 0.13 3.58 4.13 -1.18 -4.30 115.26 122.28 2fuh n ASN 79 Ca -0.27 -1.55 0.13 0.00 1.68 0.00 0.00 54.58 54.57 2fuh n ASN 79 Cb 0.51 -0.46 0.37 0.00 -1.54 0.00 0.00 39.78 38.66 2fuh n ASN 79 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2fuh h SER 80 N -0.58 0.00 1.44 6.41 4.64 -1.93 -3.01 113.55 120.52 2fuh h SER 80 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2fuh h SER 80 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2fuh h SER 80 CO 0.20 0.00 0.00 -0.55 -0.87 0.00 0.00 176.83 175.61 2fuh h ASN 81 N 0.00 0.00 0.00 4.97 7.08 -1.98 -3.47 115.58 122.18 2fuh h ASN 81 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2fuh h ASN 81 Cb 0.76 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.00 2fuh h ASN 81 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2fuh n GLY 82 N 1.16 0.63 3.60 9.14 0.00 -1.14 -4.92 105.19 113.66 2fuh n GLY 82 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2fuh n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fuh s SER 83 N -2.78 5.70 -0.13 1.61 0.15 -1.26 -3.86 113.70 113.12 2fuh s SER 83 Ca 0.00 1.54 -0.13 0.00 0.70 0.00 0.00 55.95 58.06 2fuh s SER 83 Cb 0.00 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2fuh s SER 83 CO 0.00 -1.82 0.28 -0.63 1.20 0.00 0.00 173.24 172.28 2fuh s ILE 84 N 7.50 5.29 -0.39 6.45 1.01 -1.26 -3.12 121.20 136.69 2fuh s ILE 84 Ca 0.88 0.53 -0.23 0.00 0.00 0.00 0.00 60.65 61.84 2fuh s ILE 84 Cb -0.27 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.61 2fuh s ILE 84 CO 0.34 0.45 0.79 0.00 0.00 0.00 0.00 174.94 176.52 2fuh s LEU 86 N 3.17 2.19 -0.01 0.00 1.43 -1.26 -5.05 118.68 119.14 2fuh s LEU 86 Ca 0.31 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 2fuh s LEU 86 Cb -0.13 -0.20 -0.18 0.00 0.03 0.00 0.00 46.19 45.71 2fuh s LEU 86 CO 0.19 -0.13 1.21 0.44 0.23 0.00 0.00 176.35 178.28 2fuh h ASP 87 N 4.90 -0.14 -0.99 2.29 3.32 -1.98 -3.11 116.42 120.72 2fuh h ASP 87 Ca -0.34 -0.35 0.18 0.00 0.02 0.00 0.00 57.03 56.54 2fuh h ASP 87 Cb 1.20 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.69 2fuh h ASP 87 CO 0.43 0.31 0.61 0.16 -1.72 0.00 0.00 179.24 179.03 2fuh h ILE 88 N -0.61 0.73 0.00 0.35 -2.65 -1.95 0.47 117.51 113.85 2fuh h ILE 88 Ca -0.02 -0.25 0.00 0.00 1.03 0.00 0.00 64.86 65.62 2fuh h ILE 88 Cb 0.48 -0.07 0.00 0.00 -2.05 0.00 0.00 36.82 35.18 2fuh h ILE 88 CO 0.03 0.13 0.00 -0.11 0.03 0.00 0.00 178.15 178.23 2fuh n LEU 89 N -4.70 3.81 0.00 0.16 0.00 -1.17 -2.40 117.00 112.71 2fuh n LEU 89 Ca 0.22 -1.81 0.00 0.00 0.00 0.00 0.00 56.01 54.42 2fuh n LEU 89 Cb 0.56 -0.72 0.00 0.00 0.00 0.00 0.00 43.42 43.26 2fuh n LEU 89 CO 0.24 0.68 0.00 -1.14 0.00 0.00 0.00 177.39 177.17 2fuh n ARG 90 N 0.85 0.00 -0.12 1.96 0.00 0.16 -4.82 116.66 114.69 2fuh n ARG 90 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 2fuh n ARG 90 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.84 2fuh n ARG 90 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2fuh n SER 91 N 0.00 1.98 -0.96 6.15 7.64 -1.01 -4.35 113.62 123.08 2fuh n SER 91 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2fuh n SER 91 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2fuh n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fuh n GLN 92 N -3.70 0.51 -2.61 1.43 1.13 -1.16 -4.79 117.38 108.18 2fuh n GLN 92 Ca -0.47 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.16 2fuh n GLN 92 Cb 0.94 -1.25 -0.02 0.00 0.11 0.00 0.00 30.24 30.02 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 0.36 3.34 -0.11 1.08 -0.11 -1.01 -4.42 118.94 118.08 2fuh s TRP 93 Ca 0.00 1.43 -0.02 0.00 1.22 0.00 0.00 56.10 58.73 2fuh s TRP 93 Cb 0.00 -3.29 0.04 0.00 -1.50 0.00 0.00 33.47 28.72 2fuh s TRP 93 CO 0.00 -0.64 0.02 -1.12 -4.62 0.00 0.00 176.95 170.59 2fuh s SER 94 N 1.28 1.96 0.00 5.86 0.01 -1.26 -5.00 113.70 116.56 2fuh s SER 94 Ca 0.49 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2fuh s SER 94 Cb -0.19 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2fuh s SER 94 CO 0.15 -0.24 0.41 -2.65 0.41 0.00 0.00 173.24 171.33 2fuh n PRO 95 N 5.14 0.00 -0.74 12.44 -0.02 -1.26 -0.88 135.00 149.68 2fuh n PRO 95 Ca -0.07 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.47 2fuh n PRO 95 Cb 0.49 -1.52 0.19 0.00 -0.02 0.00 0.00 33.50 32.65 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 -0.91 3.84 -2.82 3.55 0.00 -1.26 -5.00 120.51 117.91 2fuh n ALA 96 Ca 0.00 -3.34 -0.29 0.00 0.00 0.00 0.00 53.44 49.81 2fuh n ALA 96 Cb 0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.27 3.94 0.18 0.00 0.05 -0.06 -5.11 118.68 114.41 2fuh s LEU 97 Ca 0.40 0.01 -0.06 0.00 0.05 0.00 0.00 54.13 54.53 2fuh s LEU 97 Cb 0.38 -2.58 -0.06 0.00 -2.05 0.00 0.00 46.19 41.88 2fuh s LEU 97 CO -0.06 0.13 0.44 -0.89 -0.55 0.00 0.00 176.35 175.42 2fuh s THR 98 N -1.55 5.09 0.20 5.48 2.01 -1.26 -5.00 115.64 120.60 2fuh s THR 98 Ca 0.31 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.35 2fuh s THR 98 Cb -0.12 -3.64 0.12 0.00 0.01 0.00 0.00 72.50 68.88 2fuh s THR 98 CO 0.24 -0.03 1.80 -0.29 -0.69 0.00 0.00 174.62 175.65 2fuh h ILE 99 N 1.95 0.97 -0.98 1.82 6.09 -1.99 -1.44 117.51 123.94 2fuh h ILE 99 Ca -0.46 -0.22 0.16 0.00 -1.37 0.00 0.00 64.86 62.97 2fuh h ILE 99 Cb 1.17 0.29 -0.09 0.00 0.47 0.00 0.00 36.82 38.66 2fuh h ILE 99 CO 0.71 0.12 0.61 0.28 -3.07 0.00 0.00 178.15 176.80 2fuh h SER 100 N 0.63 0.79 -0.84 2.19 0.02 -1.95 0.17 113.55 114.56 2fuh h SER 100 Ca 0.27 0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.44 2fuh h SER 100 Cb 0.15 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 2fuh h SER 100 CO -0.17 0.36 0.55 0.50 -1.14 0.00 0.00 176.83 176.93 2fuh h LYS 101 N 0.81 0.53 0.05 3.45 3.64 -1.66 0.16 116.57 123.55 2fuh h LYS 101 Ca 0.52 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2fuh h LYS 101 Cb 0.74 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2fuh h LYS 101 CO -0.29 0.35 -0.02 0.28 -2.27 0.00 0.00 179.45 177.49 2fuh h VAL 102 N 0.55 1.31 -0.82 2.00 2.07 -0.68 -3.14 116.25 117.53 2fuh h VAL 102 Ca 0.42 -1.41 0.12 0.00 0.82 0.00 0.00 66.70 66.65 2fuh h VAL 102 Cb 0.83 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.72 2fuh h VAL 102 CO -0.17 0.34 0.43 -0.07 0.02 0.00 0.00 177.57 178.13 2fuh h LEU 103 N -0.72 0.56 -2.50 2.57 3.38 -0.93 0.32 115.31 118.00 2fuh h LEU 103 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2fuh h LEU 103 Cb 0.61 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2fuh h LEU 103 CO 0.01 0.28 0.01 -0.07 0.09 0.00 0.00 178.44 178.76 2fuh h LEU 104 N 0.67 0.00 -0.45 1.67 4.07 -1.04 -0.31 115.31 119.91 2fuh h LEU 104 Ca 0.42 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.21 2fuh h LEU 104 Cb 0.51 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2fuh h LEU 104 CO -0.31 0.00 -0.76 0.28 -1.08 0.00 0.00 178.44 176.57 2fuh h SER 105 N 0.00 0.17 -0.05 -0.43 0.02 -0.30 -3.15 113.55 109.81 2fuh h SER 105 Ca 0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2fuh h SER 105 Cb 0.01 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2fuh h SER 105 CO -0.00 0.87 -0.06 0.40 -1.14 0.00 0.00 176.83 176.90 2fuh h ILE 106 N 0.09 1.39 -0.95 3.27 2.04 -0.79 -0.78 117.51 121.78 2fuh h ILE 106 Ca -0.02 -1.26 0.19 0.00 1.00 0.00 0.00 64.86 64.76 2fuh h ILE 106 Cb 1.34 2.13 -0.08 0.00 -0.74 0.00 0.00 36.82 39.46 2fuh h ILE 106 CO 0.11 0.34 0.60 0.00 0.00 0.00 0.00 178.15 179.21 2fuh h SER 108 N 0.61 0.00 0.13 0.00 0.02 -1.49 -3.25 113.55 109.57 2fuh h SER 108 Ca 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 2fuh h SER 108 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2fuh h SER 108 CO -0.26 0.50 -0.06 0.25 -1.14 0.00 0.00 176.83 176.12 2fuh h LEU 109 N 0.00 -0.15 -0.18 5.07 5.85 0.10 0.12 115.31 126.12 2fuh h LEU 109 Ca -0.03 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2fuh h LEU 109 Cb 1.41 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 2fuh h LEU 109 CO 0.06 0.23 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.20 2fuh h LEU 110 N -0.55 -0.38 -0.77 2.25 4.07 -1.33 1.06 115.31 119.67 2fuh h LEU 110 Ca -0.02 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2fuh h LEU 110 Cb 0.43 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2fuh h LEU 110 CO 0.03 -0.15 0.00 0.00 -1.08 0.00 0.00 178.44 177.24 2fuh s ASP 112 N -4.33 -1.40 0.13 0.00 1.01 0.22 -5.09 116.67 107.21 2fuh s ASP 112 Ca 0.04 -1.63 0.00 0.00 0.71 0.00 0.00 52.55 51.67 2fuh s ASP 112 Cb 0.09 1.86 0.00 0.00 1.01 0.00 0.00 42.92 45.88 2fuh s ASP 112 CO 0.40 -0.07 0.00 -0.81 0.21 0.00 0.00 175.17 174.90 2fuh n PRO 113 N 3.15 0.86 -3.47 8.23 -0.04 0.34 -4.24 135.00 139.83 2fuh n PRO 113 Ca 0.17 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.37 2fuh n PRO 113 Cb 0.56 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 2fuh n PRO 113 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2fuh n ASN 114 N -0.40 1.34 0.26 3.54 3.02 -1.26 -4.95 115.26 116.81 2fuh n ASN 114 Ca 0.00 -2.86 0.09 0.00 -0.03 0.00 0.00 54.58 51.78 2fuh n ASN 114 Cb 0.00 -0.65 0.47 0.00 -0.61 0.00 0.00 39.78 38.99 2fuh n ASN 114 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2fuh h PRO 115 N 4.88 0.00 -6.07 3.52 0.11 -1.98 -3.35 132.00 129.11 2fuh h PRO 115 Ca 0.18 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.72 2fuh h PRO 115 Cb 0.82 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.87 2fuh h PRO 115 CO 0.57 0.00 0.32 -0.51 -0.21 0.00 0.00 178.00 178.16 2fuh s ASP 116 N -3.70 7.05 -1.18 -2.05 1.11 -1.26 -4.19 116.67 112.45 2fuh s ASP 116 Ca -0.02 1.28 -0.31 0.00 0.18 0.00 0.00 52.55 53.68 2fuh s ASP 116 Cb 0.05 -2.47 0.04 0.00 1.07 0.00 0.00 42.92 41.61 2fuh s ASP 116 CO 0.16 -0.30 0.69 0.47 1.18 0.00 0.00 175.17 177.37 2fuh n ASP 117 N 4.60 -4.34 -2.82 0.27 9.92 -1.26 -4.95 116.55 117.96 2fuh n ASP 117 Ca 0.03 -1.25 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 2fuh n ASP 117 Cb 0.50 -1.88 0.00 0.00 -0.64 0.00 0.00 41.12 39.10 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 -4.82 0.71 -0.02 -0.24 -0.04 -1.26 -5.01 135.00 124.33 2fuh n PRO 118 Ca -0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 2fuh n PRO 118 Cb 0.57 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 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 0.67 -3.46 1.53 7.94 -1.26 -4.63 117.00 117.80 2fuh n LEU 119 Ca 0.00 0.31 -0.27 0.00 -1.11 0.00 0.00 56.01 54.94 2fuh n LEU 119 Cb 0.00 0.19 -0.10 0.00 0.53 0.00 0.00 43.42 44.04 2fuh n LEU 119 CO 0.00 0.31 -0.22 0.52 -1.11 0.00 0.00 177.39 176.89 2fuh n VAL 120 N -2.90 -0.17 0.27 1.96 0.31 -1.25 -4.96 118.33 111.60 2fuh n VAL 120 Ca -0.17 -4.03 0.09 0.00 -0.01 0.00 0.00 64.34 60.23 2fuh n VAL 120 Cb 0.98 -1.87 0.51 0.00 -0.91 0.00 0.00 33.84 32.54 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 5.08 0.00 0.12 5.55 0.11 -1.93 -1.14 132.00 139.79 2fuh h PRO 121 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2fuh h PRO 121 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2fuh h PRO 121 CO 0.51 0.00 -0.06 1.49 -0.21 0.00 0.00 178.00 179.73 2fuh h GLU 122 N 0.00 -0.15 0.00 1.05 4.81 -1.99 -2.94 114.58 115.35 2fuh h GLU 122 Ca 0.00 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2fuh h GLU 122 Cb 0.87 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2fuh h GLU 122 CO 0.00 0.25 -0.54 0.82 -0.73 0.00 0.00 179.01 178.81 2fuh h ILE 123 N -0.60 0.98 0.08 2.32 2.04 -1.65 -3.32 117.51 117.37 2fuh h ILE 123 Ca -0.02 -2.23 0.01 0.00 1.00 0.00 0.00 64.86 63.62 2fuh h ILE 123 Cb 0.47 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 2fuh h ILE 123 CO 0.03 0.53 -0.10 0.00 0.00 0.00 0.00 178.15 178.61 2fuh h ALA 124 N 1.46 -0.18 -0.77 1.87 0.00 -1.36 -2.17 119.26 118.11 2fuh h ALA 124 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2fuh h ALA 124 Cb 1.33 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2fuh h ALA 124 CO 0.07 -0.62 0.51 0.07 0.00 0.00 0.00 179.25 179.28 2fuh h ARG 125 N -0.22 0.50 0.54 0.00 0.11 -1.61 0.90 114.38 114.62 2fuh h ARG 125 Ca 0.01 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 2fuh h ARG 125 Cb 0.22 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 2fuh h ARG 125 CO -0.04 0.33 -0.32 0.82 0.10 0.00 0.00 179.97 180.86 2fuh h ILE 126 N 0.52 0.35 -0.14 0.08 2.04 -1.52 -1.07 117.51 117.77 2fuh h ILE 126 Ca 0.37 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.19 2fuh h ILE 126 Cb 0.72 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2fuh h ILE 126 CO -0.13 0.00 -0.11 0.22 0.00 0.00 0.00 178.15 178.12 2fuh h TYR 127 N -0.81 0.22 0.72 1.37 3.20 -1.13 1.87 116.97 122.41 2fuh h TYR 127 Ca -0.07 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 2fuh h TYR 127 Cb 0.65 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2fuh h TYR 127 CO -0.08 0.33 -0.37 -0.22 -1.64 0.00 0.00 178.16 176.18 2fuh h LYS 128 N 0.21 -0.97 0.02 1.82 1.63 -0.34 -3.35 116.57 115.58 2fuh h LYS 128 Ca 0.04 0.07 -0.40 0.00 -0.85 0.00 0.00 60.65 59.51 2fuh h LYS 128 Cb 0.33 0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 32.12 2fuh h LYS 128 CO 0.02 -0.64 -2.39 0.25 -3.45 0.00 0.00 179.45 173.23 2fuh n THR 129 N -4.78 1.54 -3.03 1.00 -2.24 -0.45 -4.69 114.28 101.62 2fuh n THR 129 Ca -0.12 -0.53 -0.44 0.00 -2.27 0.00 0.00 64.05 60.69 2fuh n THR 129 Cb 0.40 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2fuh n THR 129 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2fuh n ASP 130 N -3.52 5.35 0.07 3.42 8.00 0.64 -4.77 116.55 125.73 2fuh n ASP 130 Ca -0.45 -3.02 -0.21 0.00 0.71 0.00 0.00 54.79 51.82 2fuh n ASP 130 Cb 0.97 -1.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.43 2fuh n ASP 130 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2fuh h ARG 131 N 6.85 0.42 -0.42 -1.24 9.65 -1.68 -3.03 114.38 124.92 2fuh h ARG 131 Ca 0.28 -0.62 0.05 0.00 -1.10 0.00 0.00 59.98 58.59 2fuh h ARG 131 Cb 0.85 0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 29.60 2fuh h ARG 131 CO 1.20 1.28 0.14 0.22 2.80 0.00 0.00 179.97 185.61 2fuh h ASP 132 N -0.13 0.14 0.72 -3.80 3.58 -1.90 -1.38 116.42 113.65 2fuh h ASP 132 Ca -0.16 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 2fuh h ASP 132 Cb 1.72 0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.81 2fuh h ASP 132 CO 0.18 0.11 -0.35 0.50 -2.88 0.00 0.00 179.24 176.80 2fuh h LYS 133 N 0.30 -0.94 -1.06 0.28 3.64 -1.92 -2.40 116.57 114.46 2fuh h LYS 133 Ca 0.20 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.92 2fuh h LYS 133 Cb 0.19 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 2fuh h LYS 133 CO -0.21 -0.63 0.69 -0.92 -2.27 0.00 0.00 179.45 176.11 2fuh h TYR 134 N -0.98 0.60 0.00 1.91 3.20 -1.38 0.82 116.97 121.14 2fuh h TYR 134 Ca -0.10 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 2fuh h TYR 134 Cb 0.75 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2fuh h TYR 134 CO -0.03 0.04 -0.38 -0.97 -1.64 0.00 0.00 178.16 175.18 2fuh h ASN 135 N 0.34 0.00 0.00 -2.11 -0.00 -0.78 0.27 115.58 113.30 2fuh h ASN 135 Ca 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.90 2fuh h ASN 135 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.94 2fuh h ASN 135 CO -0.28 0.38 -0.00 -0.09 -0.00 0.00 0.00 177.43 177.44 2fuh h ARG 136 N 0.00 -0.00 -0.20 6.67 2.43 0.10 -2.91 114.38 120.48 2fuh h ARG 136 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2fuh h ARG 136 Cb 0.68 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2fuh h ARG 136 CO 0.05 0.90 -0.14 0.82 -1.51 0.00 0.00 179.97 180.09 2fuh h ILE 137 N -0.91 1.32 -0.84 1.20 5.03 -1.22 0.24 117.51 122.34 2fuh h ILE 137 Ca -0.00 -1.25 0.09 0.00 -0.12 0.00 0.00 64.86 63.58 2fuh h ILE 137 Cb 0.90 1.71 -0.07 0.00 -3.03 0.00 0.00 36.82 36.33 2fuh h ILE 137 CO 0.00 0.38 0.49 0.77 -0.68 0.00 0.00 178.15 179.11 2fuh h SER 138 N 0.12 0.71 0.03 1.72 4.64 -0.60 0.11 113.55 120.28 2fuh h SER 138 Ca 0.04 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 2fuh h SER 138 Cb 0.66 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2fuh h SER 138 CO 0.04 0.41 -0.22 -0.09 -0.87 0.00 0.00 176.83 176.09 2fuh h ARG 139 N 0.82 0.10 -0.92 4.77 2.43 -1.46 -1.97 114.38 118.15 2fuh h ARG 139 Ca 0.40 -0.15 0.18 0.00 -0.81 0.00 0.00 59.98 59.61 2fuh h ARG 139 Cb 0.35 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.85 2fuh h ARG 139 CO -0.24 1.01 0.50 0.93 -1.51 0.00 0.00 179.97 180.66 2fuh h GLU 140 N -0.74 0.61 -0.05 0.20 5.08 -0.28 0.92 114.58 120.31 2fuh h GLU 140 Ca -0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2fuh h GLU 140 Cb 1.11 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.23 2fuh h GLU 140 CO 0.04 0.40 -0.47 -1.49 -1.00 0.00 0.00 179.01 176.50 2fuh h TRP 141 N 0.63 0.57 -0.13 4.33 4.06 -1.06 -3.09 115.95 121.26 2fuh h TRP 141 Ca 0.53 -0.27 0.05 0.00 2.06 0.00 0.00 58.89 61.26 2fuh h TRP 141 Cb 0.85 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.87 2fuh h TRP 141 CO -0.06 1.06 -0.27 1.15 -3.56 0.00 0.00 178.44 176.75 2fuh h THR 142 N -0.07 0.37 -0.53 1.49 2.02 -0.38 2.27 112.91 118.08 2fuh h THR 142 Ca -0.04 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 2fuh h THR 142 Cb 1.14 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2fuh h THR 142 CO 0.09 0.00 0.37 -0.61 0.37 0.00 0.00 175.52 175.74 2fuh h GLN 143 N -0.34 0.18 0.00 6.66 4.15 -0.97 2.49 115.11 127.29 2fuh h GLN 143 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2fuh h GLN 143 Cb 0.49 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2fuh h GLN 143 CO -0.32 0.12 -1.35 1.63 -1.93 0.00 0.00 178.83 176.97 2fuh n LYS 144 N -4.44 0.56 -0.10 1.69 5.02 -0.09 -4.18 118.16 116.62 2fuh n LYS 144 Ca 0.09 -0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.45 2fuh n LYS 144 Cb 0.47 -1.67 0.12 0.00 -0.02 0.00 0.00 35.03 33.93 2fuh n LYS 144 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2fuh n TYR 145 N -2.39 0.00 -2.71 2.13 4.02 0.75 -4.72 117.16 114.24 2fuh n TYR 145 Ca -0.01 -0.89 -0.04 0.00 -0.01 0.00 0.00 57.90 56.95 2fuh n TYR 145 Cb 0.53 -0.14 0.10 0.00 -0.02 0.00 0.00 39.34 39.81 2fuh n TYR 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fuh n ALA 146 N -1.27 2.39 -1.14 -0.72 0.00 0.82 -4.87 120.51 115.72 2fuh n ALA 146 Ca 0.14 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.84 2fuh n ALA 146 Cb 0.62 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2fuh n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17