#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjg s THR 3 N 0.00 1.57 0.14 -0.18 -1.32 -1.26 -3.02 115.64 111.57 3hjg s THR 3 Ca 0.00 -0.96 0.11 0.00 -1.21 0.00 0.00 61.69 59.63 3hjg s THR 3 Cb 0.00 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 3hjg s THR 3 CO 0.00 0.35 -0.26 -0.76 -2.21 0.00 0.00 174.62 171.73 3hjg s LEU 4 N -0.72 2.34 -0.22 9.08 1.43 0.87 -5.00 118.68 126.46 3hjg s LEU 4 Ca 0.07 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 3hjg s LEU 4 Cb -0.08 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 3hjg s LEU 4 CO 0.00 0.16 0.06 0.20 0.23 0.00 0.00 176.35 177.01 3hjg s ASN 5 N -2.18 5.25 -0.19 2.29 0.01 -1.26 -1.29 114.94 117.57 3hjg s ASN 5 Ca 0.15 -0.12 -0.03 0.00 -0.71 0.00 0.00 52.86 52.15 3hjg s ASN 5 Cb -0.10 -1.93 -0.01 0.00 0.41 0.00 0.00 41.25 39.62 3hjg s ASN 5 CO 0.07 0.04 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.01 3hjg s ILE 6 N 1.18 3.48 -0.30 0.60 1.01 0.38 -1.73 121.20 125.82 3hjg s ILE 6 Ca 0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 3hjg s ILE 6 Cb -0.14 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 39.82 3hjg s ILE 6 CO 0.03 0.45 0.00 -0.31 0.00 0.00 0.00 174.94 175.12 3hjg s TYR 7 N 1.03 3.25 -0.27 3.97 1.51 -0.34 -0.78 117.35 125.72 3hjg s TYR 7 Ca 0.01 -1.82 -0.19 0.00 -1.01 0.00 0.00 57.07 54.06 3hjg s TYR 7 Cb -0.15 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 3hjg s TYR 7 CO 0.00 -0.79 0.56 -0.51 -1.11 0.00 0.00 175.55 173.70 3hjg s LEU 8 N 1.27 4.09 -0.09 -1.29 1.43 -0.92 0.21 118.68 123.37 3hjg s LEU 8 Ca -0.05 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3hjg s LEU 8 Cb -0.20 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3hjg s LEU 8 CO -0.01 -0.35 -0.16 -0.32 0.23 0.00 0.00 176.35 175.74 3hjg s MET 9 N 2.41 2.98 0.34 1.70 -2.45 0.76 -0.07 119.30 124.97 3hjg s MET 9 Ca 0.23 -0.74 -0.19 0.00 -1.25 0.00 0.00 55.69 53.73 3hjg s MET 9 Cb -0.15 -2.45 -0.10 0.00 1.25 0.00 0.00 34.83 33.38 3hjg s MET 9 CO 0.10 0.35 0.83 0.50 1.05 0.00 0.00 175.02 177.85 3hjg s ARG 10 N -0.03 4.19 0.38 4.11 3.52 -1.12 -0.73 118.95 129.26 3hjg s ARG 10 Ca -0.05 0.93 0.13 0.00 -0.13 0.00 0.00 55.73 56.61 3hjg s ARG 10 Cb -0.14 -2.45 0.75 0.00 -1.56 0.00 0.00 34.95 31.55 3hjg s ARG 10 CO 0.04 0.14 1.85 1.12 -0.81 0.00 0.00 175.30 177.64 3hjg h HIS 11 N 2.41 0.01 0.00 5.12 2.07 -1.85 -2.50 115.15 120.41 3hjg h HIS 11 Ca -0.48 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 3hjg h HIS 11 Cb 1.18 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 3hjg h HIS 11 CO 0.62 0.35 0.00 0.41 -3.07 0.00 0.00 177.93 176.24 3hjg n GLY 12 N -0.54 2.86 3.73 6.13 0.00 -1.26 -4.62 105.19 111.48 3hjg n GLY 12 Ca -0.02 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3hjg n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjg s LYS 13 N -3.35 4.20 -0.02 1.61 -0.14 -1.26 -4.85 119.74 115.93 3hjg s LYS 13 Ca 0.00 2.41 0.04 0.00 -1.36 0.00 0.00 55.97 57.06 3hjg s LYS 13 Cb 0.00 -3.12 0.15 0.00 -1.68 0.00 0.00 37.83 33.18 3hjg s LYS 13 CO 0.00 -0.60 0.98 1.33 -0.76 0.00 0.00 175.35 176.29 3hjg n VAL 14 N 3.55 0.34 -3.78 3.17 0.24 -1.26 -4.57 118.33 116.02 3hjg n VAL 14 Ca 0.13 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 3hjg n VAL 14 Cb 0.38 -0.11 0.03 0.00 -1.47 0.00 0.00 33.84 32.67 3hjg n VAL 14 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3hjg n ASP 15 N 0.01 -3.97 -3.49 -1.34 4.64 -1.26 -4.29 116.55 106.86 3hjg n ASP 15 Ca 0.05 -1.04 -0.10 0.00 -1.38 0.00 0.00 54.79 52.32 3hjg n ASP 15 Cb 0.25 -3.16 -0.02 0.00 -1.04 0.00 0.00 41.12 37.15 3hjg n ASP 15 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hjg s ALA 16 N -3.59 -1.66 0.30 -1.67 0.00 -1.26 -4.94 121.76 108.95 3hjg s ALA 16 Ca 0.36 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 3hjg s ALA 16 Cb -0.14 0.71 -0.10 0.00 0.00 0.00 0.00 23.12 23.60 3hjg s ALA 16 CO 0.88 -0.77 1.26 0.00 0.00 0.00 0.00 175.76 177.13 3hjg s ALA 17 N -3.52 3.48 0.09 0.00 0.00 -1.26 -4.95 121.76 115.60 3hjg s ALA 17 Ca 0.04 1.16 -0.33 0.00 0.00 0.00 0.00 51.96 52.82 3hjg s ALA 17 Cb -0.01 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 3hjg s ALA 17 CO -0.10 -0.52 1.72 -2.30 0.00 0.00 0.00 175.76 174.57 3hjg n PRO 18 N 1.17 2.32 0.00 0.00 -0.02 -1.26 -4.69 135.00 132.52 3hjg n PRO 18 Ca 0.01 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3hjg n PRO 18 Cb 0.43 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3hjg n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjg n GLY 19 N 3.88 2.92 3.39 -1.23 0.00 -1.26 -0.43 105.19 112.45 3hjg n GLY 19 Ca 0.19 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 3hjg n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hjg s LEU 20 N 0.00 5.81 -1.21 0.99 1.43 -0.69 -4.86 118.68 120.14 3hjg s LEU 20 Ca 0.00 -3.03 -0.20 0.00 -1.03 0.00 0.00 54.13 49.87 3hjg s LEU 20 Cb 0.00 -2.30 0.06 0.00 0.03 0.00 0.00 46.19 43.98 3hjg s LEU 20 CO 0.00 -0.59 1.67 -1.00 0.23 0.00 0.00 176.35 176.65 3hjg s HIS 21 N 0.46 2.67 0.00 0.29 3.76 -1.26 -0.59 115.29 120.61 3hjg s HIS 21 Ca 0.33 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 3hjg s HIS 21 Cb -0.07 -4.71 0.00 0.00 1.11 0.00 0.00 32.58 28.92 3hjg s HIS 21 CO -0.06 -1.82 0.00 0.41 -0.85 0.00 0.00 174.74 172.42 3hjg n GLY 22 N 5.85 0.84 0.96 -2.22 0.00 -1.26 -4.91 105.19 104.44 3hjg n GLY 22 Ca 0.44 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.57 3hjg n GLY 22 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hjg n GLN 23 N 0.00 2.19 -2.19 1.61 6.02 -1.26 -4.58 117.38 119.18 3hjg n GLN 23 Ca 0.00 -2.01 -0.41 0.00 -0.01 0.00 0.00 57.00 54.57 3hjg n GLN 23 Cb 0.00 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 3hjg n GLN 23 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3hjg s THR 24 N -1.53 3.10 -1.23 5.09 -4.23 -1.26 -4.92 115.64 110.67 3hjg s THR 24 Ca 0.31 0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 61.56 3hjg s THR 24 Cb 0.19 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 70.49 3hjg s THR 24 CO 0.28 0.16 1.70 -0.62 -0.54 0.00 0.00 174.62 175.59 3hjg s ASP 25 N 0.18 6.61 0.03 3.99 -1.08 -1.26 -4.95 116.67 120.19 3hjg s ASP 25 Ca 0.55 -2.15 -0.30 0.00 -0.52 0.00 0.00 52.55 50.13 3hjg s ASP 25 Cb -0.37 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.47 3hjg s ASP 25 CO 0.41 -1.40 1.04 -0.76 0.52 0.00 0.00 175.17 174.97 3hjg s LEU 26 N 4.96 4.39 -0.15 -1.34 1.02 -1.26 -4.97 118.68 121.34 3hjg s LEU 26 Ca 0.54 1.78 -0.07 0.00 0.02 0.00 0.00 54.13 56.40 3hjg s LEU 26 Cb 0.03 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.62 3hjg s LEU 26 CO 0.04 -0.29 0.08 -0.75 0.02 0.00 0.00 176.35 175.45 3hjg s LYS 27 N 0.86 3.64 0.42 1.70 2.47 -1.26 -3.91 119.74 123.67 3hjg s LYS 27 Ca 0.53 -0.27 0.02 0.00 -1.56 0.00 0.00 55.97 54.69 3hjg s LYS 27 Cb -0.24 -3.15 -0.00 0.00 -1.46 0.00 0.00 37.83 32.98 3hjg s LYS 27 CO 0.29 0.52 0.61 0.14 0.16 0.00 0.00 175.35 177.07 3hjg s VAL 28 N -0.32 3.92 0.74 4.02 -7.23 -1.26 -4.23 120.40 116.04 3hjg s VAL 28 Ca 0.09 -0.67 -0.13 0.00 -1.81 0.00 0.00 61.98 59.47 3hjg s VAL 28 Cb -0.12 -3.42 0.04 0.00 0.56 0.00 0.00 36.38 33.44 3hjg s VAL 28 CO 0.01 -0.25 1.11 -0.54 -0.31 0.00 0.00 175.10 175.13 3hjg s LYS 29 N -4.45 2.34 0.04 4.82 1.02 -1.26 -4.97 119.74 117.29 3hjg s LYS 29 Ca 0.48 1.34 -0.19 0.00 0.02 0.00 0.00 55.97 57.62 3hjg s LYS 29 Cb -0.10 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 35.17 3hjg s LYS 29 CO 0.36 -1.60 1.32 1.49 -0.92 0.00 0.00 175.35 176.00 3hjg h GLU 30 N -0.67 0.42 0.00 1.68 4.57 -2.00 -3.00 114.58 115.57 3hjg h GLU 30 Ca -0.45 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 57.42 3hjg h GLU 30 Cb 1.25 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 3hjg h GLU 30 CO 0.51 0.83 -0.28 0.00 -1.18 0.00 0.00 179.01 178.90 3hjg h ALA 31 N 0.58 1.26 -0.50 2.92 0.00 -1.99 -2.84 119.26 118.69 3hjg h ALA 31 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3hjg h ALA 31 Cb 0.79 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3hjg h ALA 31 CO 0.05 0.35 0.03 1.49 0.00 0.00 0.00 179.25 181.17 3hjg h GLU 32 N 0.00 0.87 -0.14 0.00 4.57 -1.93 -1.71 114.58 116.23 3hjg h GLU 32 Ca -0.00 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 57.81 3hjg h GLU 32 Cb 0.60 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3hjg h GLU 32 CO 0.04 0.89 -0.39 1.96 -1.18 0.00 0.00 179.01 180.32 3hjg h GLN 33 N 0.74 0.32 -0.61 1.92 1.08 -1.38 -2.83 115.11 114.34 3hjg h GLN 33 Ca 0.15 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3hjg h GLN 33 Cb 0.47 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3hjg h GLN 33 CO 0.02 0.66 0.06 1.96 -0.95 0.00 0.00 178.83 180.59 3hjg h GLN 34 N 0.27 1.04 0.00 1.46 7.50 -1.36 -1.06 115.11 122.96 3hjg h GLN 34 Ca 0.03 -0.30 0.03 0.00 0.50 0.00 0.00 58.65 58.91 3hjg h GLN 34 Cb 0.81 -0.11 -0.05 0.00 0.05 0.00 0.00 27.48 28.18 3hjg h GLN 34 CO 0.06 0.99 -0.29 1.96 -1.50 0.00 0.00 178.83 180.05 3hjg h GLN 35 N 0.94 -0.42 -0.70 1.46 4.20 -1.15 -0.15 115.11 119.29 3hjg h GLN 35 Ca 0.18 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 3hjg h GLN 35 Cb 0.48 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 3hjg h GLN 35 CO 0.02 -0.28 0.29 0.82 -0.67 0.00 0.00 178.83 179.01 3hjg h ILE 36 N -0.44 1.24 -0.51 2.54 2.04 -1.43 -0.49 117.51 120.47 3hjg h ILE 36 Ca 0.06 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3hjg h ILE 36 Cb 0.52 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3hjg h ILE 36 CO -0.25 0.30 -0.05 0.00 0.00 0.00 0.00 178.15 178.16 3hjg h ALA 37 N 1.14 0.69 -0.32 1.87 0.00 -1.01 -0.18 119.26 121.44 3hjg h ALA 37 Ca 0.24 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3hjg h ALA 37 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hjg h ALA 37 CO -0.02 0.55 -0.29 1.98 0.00 0.00 0.00 179.25 181.46 3hjg h MET 38 N 0.79 0.66 0.05 0.00 1.85 -0.82 -2.07 114.93 115.40 3hjg h MET 38 Ca 0.14 -0.29 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 3hjg h MET 38 Cb 0.59 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.60 3hjg h MET 38 CO 0.04 0.88 -0.02 0.00 -0.40 0.00 0.00 176.91 177.40 3hjg h ALA 39 N 1.11 -0.07 -0.96 0.39 0.00 -0.88 -1.94 119.26 116.91 3hjg h ALA 39 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hjg h ALA 39 Cb 0.79 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3hjg h ALA 39 CO 0.06 -0.44 0.64 2.35 0.00 0.00 0.00 179.25 181.86 3hjg h TRP 40 N -0.26 1.21 -0.03 0.00 2.91 -0.93 -0.26 115.95 118.59 3hjg h TRP 40 Ca -0.01 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 3hjg h TRP 40 Cb 0.24 -0.41 0.00 0.00 -0.51 0.00 0.00 29.16 28.48 3hjg h TRP 40 CO -0.01 0.77 -0.09 -0.22 -1.03 0.00 0.00 178.44 177.86 3hjg h LYS 41 N 1.31 0.12 0.00 2.65 3.64 -1.38 -3.13 116.57 119.77 3hjg h LYS 41 Ca 0.35 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3hjg h LYS 41 Cb -0.15 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3hjg h LYS 41 CO -0.08 0.71 0.00 1.79 -2.27 0.00 0.00 179.45 179.60 3hjg h THR 42 N -0.45 0.00 0.00 1.00 1.35 -1.22 -1.82 112.91 111.77 3hjg h THR 42 Ca -0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3hjg h THR 42 Cb 0.71 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3hjg h THR 42 CO 0.02 0.00 0.00 0.50 -0.25 0.00 0.00 175.52 175.79 3hjg h LYS 43 N 0.00 0.00 -3.73 4.72 1.63 -1.12 -3.48 116.57 114.59 3hjg h LYS 43 Ca 0.00 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 3hjg h LYS 43 Cb 0.69 0.00 0.07 0.00 -0.60 0.00 0.00 32.23 32.39 3hjg h LYS 43 CO 0.00 0.00 -0.30 0.41 -3.45 0.00 0.00 179.45 176.11 3hjg n GLY 44 N 1.07 0.15 3.74 5.01 0.00 -0.68 -5.02 105.19 109.46 3hjg n GLY 44 Ca 0.05 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3hjg n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hjg s TYR 45 N -3.14 3.66 -0.37 1.61 1.51 -1.20 -5.05 117.35 114.38 3hjg s TYR 45 Ca 0.12 1.28 -0.13 0.00 -1.01 0.00 0.00 57.07 57.33 3hjg s TYR 45 Cb -0.02 -2.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.12 3hjg s TYR 45 CO 0.27 0.24 0.24 0.34 -1.11 0.00 0.00 175.55 175.53 3hjg s ASP 46 N 0.18 5.92 -0.00 2.29 -1.08 -1.26 -4.99 116.67 117.72 3hjg s ASP 46 Ca 0.35 -0.78 -0.01 0.00 -0.52 0.00 0.00 52.55 51.59 3hjg s ASP 46 Cb -0.19 -2.09 -0.00 0.00 -1.46 0.00 0.00 42.92 39.18 3hjg s ASP 46 CO 0.19 -0.35 0.02 -0.69 0.52 0.00 0.00 175.17 174.85 3hjg s VAL 47 N 1.64 0.04 -0.42 1.11 1.01 -1.26 -4.80 120.40 117.72 3hjg s VAL 47 Ca 0.04 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 61.84 3hjg s VAL 47 Cb -0.18 -0.13 0.31 0.00 0.00 0.00 0.00 36.38 36.37 3hjg s VAL 47 CO 0.09 -0.16 1.24 0.00 0.00 0.00 0.00 175.10 176.26 3hjg n ALA 48 N 2.56 2.39 0.00 5.51 0.00 0.13 -4.97 120.51 126.14 3hjg n ALA 48 Ca -0.16 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.62 3hjg n ALA 48 Cb 0.58 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3hjg n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjg n GLY 49 N -0.25 1.35 3.35 0.00 0.00 -1.11 -4.51 105.19 104.02 3hjg n GLY 49 Ca 0.13 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3hjg n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hjg s ILE 50 N -1.20 2.97 -0.16 -0.61 1.01 0.53 -1.63 121.20 122.12 3hjg s ILE 50 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 3hjg s ILE 50 Cb 0.00 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3hjg s ILE 50 CO 0.00 0.52 -0.05 -0.63 0.00 0.00 0.00 174.94 174.79 3hjg s ILE 51 N 0.45 3.80 0.33 2.92 -1.09 -0.25 -1.65 121.20 125.71 3hjg s ILE 51 Ca -0.10 -0.39 0.10 0.00 -2.23 0.00 0.00 60.65 58.03 3hjg s ILE 51 Cb -0.16 -2.66 -0.06 0.00 -1.58 0.00 0.00 42.46 38.00 3hjg s ILE 51 CO 0.05 0.49 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.61 3hjg s SER 52 N 0.41 3.82 0.30 3.58 0.15 0.44 -1.32 113.70 121.08 3hjg s SER 52 Ca -0.04 -1.10 -0.22 0.00 0.70 0.00 0.00 55.95 55.28 3hjg s SER 52 Cb -0.14 -0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 63.68 3hjg s SER 52 CO 0.03 -0.15 0.85 -0.55 1.20 0.00 0.00 173.24 174.62 3hjg s SER 53 N -3.61 7.16 0.38 5.45 0.15 -0.55 -1.18 113.70 121.50 3hjg s SER 53 Ca 0.32 1.63 0.10 0.00 0.70 0.00 0.00 55.95 58.71 3hjg s SER 53 Cb -0.00 -2.50 0.87 0.00 -1.71 0.00 0.00 66.02 62.68 3hjg s SER 53 CO 0.17 -0.07 1.90 -0.65 1.20 0.00 0.00 173.24 175.79 3hjg h PRO 54 N 3.06 0.60 -7.02 5.44 0.11 -1.88 -3.18 132.00 129.13 3hjg h PRO 54 Ca -0.47 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.06 3hjg h PRO 54 Cb 1.19 -0.14 0.12 0.00 0.11 0.00 0.00 31.00 32.28 3hjg h PRO 54 CO 0.65 0.40 0.60 -0.51 -0.21 0.00 0.00 178.00 178.92 3hjg s LEU 55 N -9.65 3.94 0.23 2.35 1.43 -1.26 -4.56 118.68 111.16 3hjg s LEU 55 Ca -0.09 2.69 -0.07 0.00 -1.03 0.00 0.00 54.13 55.63 3hjg s LEU 55 Cb 0.21 -4.19 0.27 0.00 0.03 0.00 0.00 46.19 42.51 3hjg s LEU 55 CO 0.78 -1.34 1.86 0.28 0.23 0.00 0.00 176.35 178.15 3hjg h SER 56 N 1.78 0.82 -0.70 2.29 0.02 -1.87 0.14 113.55 116.03 3hjg h SER 56 Ca -0.50 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 60.55 3hjg h SER 56 Cb 1.28 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 3hjg h SER 56 CO 0.59 0.55 0.46 0.08 -1.14 0.00 0.00 176.83 177.36 3hjg h ARG 57 N 0.96 0.54 0.00 3.45 -0.00 -1.92 0.22 114.38 117.63 3hjg h ARG 57 Ca 0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.29 3hjg h ARG 57 Cb 0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 29.94 3hjg h ARG 57 CO -0.14 0.36 -0.27 0.00 -0.00 0.00 0.00 179.97 179.91 3hjg h HIS 59 N -0.97 0.58 -0.52 0.00 6.17 -0.65 -1.48 115.15 118.29 3hjg h HIS 59 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 3hjg h HIS 59 Cb 0.27 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.02 3hjg h HIS 59 CO -0.12 0.20 0.29 0.22 0.71 0.00 0.00 177.93 179.23 3hjg h ASP 60 N 0.56 0.62 -0.01 3.26 3.58 -1.17 -0.41 116.42 122.85 3hjg h ASP 60 Ca 0.34 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 3hjg h ASP 60 Cb 0.37 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.27 3hjg h ASP 60 CO -0.28 0.50 -0.04 0.25 -2.88 0.00 0.00 179.24 176.79 3hjg h LEU 61 N 0.71 0.05 -0.63 2.28 5.85 -1.53 -2.87 115.31 119.18 3hjg h LEU 61 Ca 0.18 -0.65 0.13 0.00 0.84 0.00 0.00 57.88 58.39 3hjg h LEU 61 Cb 0.01 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 3hjg h LEU 61 CO -0.03 0.69 0.10 0.00 -0.34 0.00 0.00 178.44 178.86 3hjg h ALA 62 N 0.36 0.73 -0.55 1.25 0.00 -0.99 -0.07 119.26 120.00 3hjg h ALA 62 Ca -0.00 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3hjg h ALA 62 Cb 0.69 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3hjg h ALA 62 CO 0.01 -0.34 0.21 0.37 0.00 0.00 0.00 179.25 179.50 3hjg h GLN 63 N 0.22 0.38 -0.42 0.00 4.15 -1.15 0.11 115.11 118.41 3hjg h GLN 63 Ca 0.34 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 3hjg h GLN 63 Cb 0.53 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3hjg h GLN 63 CO -0.46 0.25 0.13 0.82 -1.93 0.00 0.00 178.83 177.64 3hjg h ILE 64 N 0.40 1.22 -0.77 2.39 2.04 -0.85 -2.69 117.51 119.25 3hjg h ILE 64 Ca 0.27 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3hjg h ILE 64 Cb 0.29 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3hjg h ILE 64 CO -0.26 0.26 0.37 -0.07 0.00 0.00 0.00 178.15 178.45 3hjg h LEU 65 N 0.54 1.01 -0.26 1.44 4.07 -0.82 -1.77 115.31 119.52 3hjg h LEU 65 Ca 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3hjg h LEU 65 Cb 0.27 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3hjg h LEU 65 CO -0.00 0.85 0.11 0.00 -1.08 0.00 0.00 178.44 178.32 3hjg h ALA 66 N 1.30 0.33 -0.00 1.53 0.00 -0.46 -1.94 119.26 120.02 3hjg h ALA 66 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hjg h ALA 66 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hjg h ALA 66 CO -0.03 -0.09 -0.30 -0.85 0.00 0.00 0.00 179.25 177.98 3hjg n GLU 67 N -4.79 0.15 -0.05 0.00 0.28 -1.06 -0.69 120.64 114.48 3hjg n GLU 67 Ca -0.03 -0.07 -0.14 0.00 -0.16 0.00 0.00 57.16 56.76 3hjg n GLU 67 Cb 0.12 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.42 3hjg n GLU 67 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3hjg h GLN 68 N 0.16 0.45 -0.09 3.44 5.75 -1.06 -3.37 115.11 120.39 3hjg h GLN 68 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 3hjg h GLN 68 Cb 0.48 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.07 3hjg h GLN 68 CO 0.00 0.89 0.00 1.04 -2.65 0.00 0.00 178.83 178.11 3hjg n GLN 69 N -4.40 2.94 -3.35 1.69 6.02 -0.75 -5.04 117.38 114.48 3hjg n GLN 69 Ca -0.07 -1.64 -0.15 0.00 -0.01 0.00 0.00 57.00 55.13 3hjg n GLN 69 Cb 0.46 -1.07 0.03 0.00 1.02 0.00 0.00 30.24 30.69 3hjg n GLN 69 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hjg n LEU 70 N -0.23 -4.94 -4.16 1.08 4.32 0.13 -5.03 117.00 108.18 3hjg n LEU 70 Ca 0.03 -0.61 -0.19 0.00 -0.02 0.00 0.00 56.01 55.22 3hjg n LEU 70 Cb 0.29 -2.88 -0.13 0.00 -1.62 0.00 0.00 43.42 39.08 3hjg n LEU 70 CO 0.02 -0.17 -0.46 -0.76 -1.22 0.00 0.00 177.39 174.80 3hjg s LEU 71 N -5.18 2.22 0.22 2.23 1.43 -0.13 -5.03 118.68 114.44 3hjg s LEU 71 Ca 0.27 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.53 3hjg s LEU 71 Cb -0.06 -0.58 -0.11 0.00 0.03 0.00 0.00 46.19 45.47 3hjg s LEU 71 CO 0.79 -0.01 1.65 -2.84 0.23 0.00 0.00 176.35 176.17 3hjg s PRO 72 N -1.40 4.15 0.03 1.29 0.02 -1.26 -4.76 135.00 133.07 3hjg s PRO 72 Ca 0.00 2.53 0.05 0.00 0.02 0.00 0.00 61.00 63.60 3hjg s PRO 72 Cb -0.09 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 3hjg s PRO 72 CO 0.02 -0.68 -0.14 1.41 -0.33 0.00 0.00 177.00 177.27 3hjg s MET 73 N 0.76 0.98 0.16 5.54 1.75 -1.26 -0.34 119.30 126.88 3hjg s MET 73 Ca 0.71 -0.73 -0.08 0.00 -1.25 0.00 0.00 55.69 54.34 3hjg s MET 73 Cb -0.48 -0.99 -0.01 0.00 2.84 0.00 0.00 34.83 36.19 3hjg s MET 73 CO 0.36 0.25 0.24 0.99 -0.65 0.00 0.00 175.02 176.21 3hjg s THR 74 N -0.78 0.07 0.25 10.11 2.01 -0.66 -4.98 115.64 121.66 3hjg s THR 74 Ca 0.02 -1.46 0.09 0.00 0.31 0.00 0.00 61.69 60.65 3hjg s THR 74 Cb -0.08 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3hjg s THR 74 CO 0.01 -0.33 0.05 0.42 -0.69 0.00 0.00 174.62 174.07 3hjg s THR 75 N -3.98 3.73 -0.05 -0.82 -4.23 -1.26 -0.42 115.64 108.61 3hjg s THR 75 Ca 0.18 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 3hjg s THR 75 Cb 0.04 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3hjg s THR 75 CO -0.00 -0.34 0.06 -1.61 -0.54 0.00 0.00 174.62 172.19 3hjg s GLU 76 N -3.64 -0.01 0.53 3.99 2.02 -0.32 -4.84 118.70 116.43 3hjg s GLU 76 Ca 0.31 0.32 0.34 0.00 0.02 0.00 0.00 54.97 55.97 3hjg s GLU 76 Cb -0.07 -0.65 1.51 0.00 0.10 0.00 0.00 34.13 35.02 3hjg s GLU 76 CO 0.21 -0.35 2.01 -0.44 0.02 0.00 0.00 175.26 176.71 3hjg h ASP 77 N 8.43 0.00 1.18 -0.19 5.19 -1.98 -2.03 116.42 127.02 3hjg h ASP 77 Ca -0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3hjg h ASP 77 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 3hjg h ASP 77 CO 0.17 0.00 0.00 0.44 -3.12 0.00 0.00 179.24 176.73 3hjg h ASP 78 N 0.00 0.00 -0.55 6.45 5.19 -1.96 -3.14 116.42 122.41 3hjg h ASP 78 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hjg h ASP 78 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3hjg h ASP 78 CO 0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 3hjg n LEU 79 N -2.42 5.42 -4.83 1.55 4.77 -0.76 -4.33 117.00 116.39 3hjg n LEU 79 Ca 0.04 -2.75 -0.31 0.00 -0.03 0.00 0.00 56.01 52.96 3hjg n LEU 79 Cb 0.35 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3hjg n LEU 79 CO 0.26 0.62 0.71 -1.10 -1.33 0.00 0.00 177.39 176.56 3hjg s GLN 80 N -2.60 2.97 0.92 3.23 -0.21 -1.19 -4.52 119.66 118.26 3hjg s GLN 80 Ca 0.51 0.91 -0.15 0.00 0.02 0.00 0.00 55.36 56.66 3hjg s GLN 80 Cb 0.39 -2.00 0.17 0.00 1.00 0.00 0.00 33.01 32.57 3hjg s GLN 80 CO 0.16 -1.07 1.28 -2.00 -2.12 0.00 0.00 175.29 171.54 3hjg s GLU 81 N -5.07 1.01 0.25 2.91 2.12 -1.26 -4.91 118.70 113.75 3hjg s GLU 81 Ca 0.58 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.31 3hjg s GLU 81 Cb -0.14 -1.89 -0.11 0.00 0.26 0.00 0.00 34.13 32.26 3hjg s GLU 81 CO 0.55 -2.18 1.53 1.41 -0.54 0.00 0.00 175.26 176.02 3hjg s MET 82 N -5.79 4.20 -0.28 4.30 0.00 -1.26 -4.59 119.30 115.88 3hjg s MET 82 Ca 0.71 2.43 -0.29 0.00 0.00 0.00 0.00 55.69 58.53 3hjg s MET 82 Cb -0.06 -3.08 0.00 0.00 0.00 0.00 0.00 34.83 31.69 3hjg s MET 82 CO 0.52 -0.54 1.26 0.34 0.00 0.00 0.00 175.02 176.60 3hjg s ASP 83 N 0.53 6.76 0.02 1.11 2.15 -1.26 -3.98 116.67 122.01 3hjg s ASP 83 Ca 0.63 1.27 0.25 0.00 0.43 0.00 0.00 52.55 55.13 3hjg s ASP 83 Cb -0.45 -2.54 0.57 0.00 -0.30 0.00 0.00 42.92 40.20 3hjg s ASP 83 CO 0.43 -0.99 1.46 0.49 -0.17 0.00 0.00 175.17 176.39 3hjg n PHE 84 N 7.34 0.10 0.00 -5.34 3.01 -1.26 -0.10 117.46 121.20 3hjg n PHE 84 Ca 0.14 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.63 3hjg n PHE 84 Cb 0.46 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3hjg n PHE 84 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hjg n GLY 85 N 1.47 1.59 0.27 1.37 0.00 -1.25 -3.55 105.19 105.09 3hjg n GLY 85 Ca 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3hjg n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hjg h ASP 86 N 0.00 1.01 -0.04 1.61 3.32 -1.80 -3.13 116.42 117.40 3hjg h ASP 86 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hjg h ASP 86 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3hjg h ASP 86 CO 0.00 1.26 0.00 0.49 -1.72 0.00 0.00 179.24 179.27 3hjg n PHE 87 N -4.07 0.02 -1.86 4.55 3.72 -1.24 -4.93 117.46 113.66 3hjg n PHE 87 Ca -0.02 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3hjg n PHE 87 Cb 0.54 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.05 3hjg n PHE 87 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hjg s ASP 88 N -1.96 6.45 0.00 4.37 3.68 -1.19 -2.37 116.67 125.65 3hjg s ASP 88 Ca 0.36 2.30 0.00 0.00 2.13 0.00 0.00 52.55 57.34 3hjg s ASP 88 Cb 0.21 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3hjg s ASP 88 CO 0.32 -1.10 0.00 0.61 0.13 0.00 0.00 175.17 175.13 3hjg n GLY 89 N 4.49 2.33 3.74 2.66 0.00 0.24 -4.85 105.19 113.80 3hjg n GLY 89 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hjg n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hjg s MET 90 N -0.91 4.61 0.75 1.61 -1.94 -1.00 -4.77 119.30 117.66 3hjg s MET 90 Ca 0.00 1.70 -0.14 0.00 -1.71 0.00 0.00 55.69 55.54 3hjg s MET 90 Cb 0.00 -3.28 0.05 0.00 2.01 0.00 0.00 34.83 33.61 3hjg s MET 90 CO 0.00 0.10 1.19 -2.14 -0.01 0.00 0.00 175.02 174.16 3hjg s PRO 91 N -0.43 2.03 0.40 2.03 0.02 -1.26 -1.71 135.00 136.08 3hjg s PRO 91 Ca 0.49 1.69 0.11 0.00 0.02 0.00 0.00 61.00 63.31 3hjg s PRO 91 Cb -0.29 -1.83 0.83 0.00 0.02 0.00 0.00 34.50 33.23 3hjg s PRO 91 CO 0.35 -1.91 1.92 0.74 -0.33 0.00 0.00 177.00 177.77 3hjg h PHE 92 N -0.52 0.14 0.00 6.54 0.05 -1.05 -2.79 116.94 119.31 3hjg h PHE 92 Ca -0.47 -0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.22 3hjg h PHE 92 Cb 1.29 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 39.19 3hjg h PHE 92 CO 0.48 0.32 -0.38 0.38 -0.18 0.00 0.00 178.31 178.93 3hjg h ASP 93 N 0.13 0.00 0.97 2.17 2.03 -1.93 -2.47 116.42 117.31 3hjg h ASP 93 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 3hjg h ASP 93 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 3hjg h ASP 93 CO 0.03 0.38 -0.03 0.18 -1.03 0.00 0.00 179.24 178.77 3hjg n LEU 94 N -3.93 0.03 -0.17 0.15 4.77 -1.06 -3.25 117.00 113.54 3hjg n LEU 94 Ca -0.02 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 3hjg n LEU 94 Cb 0.44 -0.48 0.27 0.00 -2.33 0.00 0.00 43.42 41.31 3hjg n LEU 94 CO 0.38 0.01 0.51 0.18 -1.33 0.00 0.00 177.39 177.14 3hjg n LEU 95 N -1.50 0.94 -0.10 2.23 4.77 -0.93 -3.30 117.00 119.11 3hjg n LEU 95 Ca 0.07 -0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 3hjg n LEU 95 Cb 0.34 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3hjg n LEU 95 CO 0.27 0.19 0.53 0.74 -1.33 0.00 0.00 177.39 177.79 3hjg h THR 96 N 0.84 1.29 -0.77 -5.08 2.02 -1.55 -3.17 112.91 106.49 3hjg h THR 96 Ca 0.00 -1.56 -0.04 0.00 0.77 0.00 0.00 66.41 65.58 3hjg h THR 96 Cb 0.53 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3hjg h THR 96 CO 0.00 0.51 0.33 -0.33 0.37 0.00 0.00 175.52 176.39 3hjg h GLU 97 N 0.57 1.14 0.00 6.66 4.39 -1.71 -3.44 114.58 122.18 3hjg h GLU 97 Ca 0.04 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3hjg h GLU 97 Cb 0.97 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3hjg h GLU 97 CO 0.09 0.91 0.00 0.72 -1.16 0.00 0.00 179.01 179.57 3hjg n HIS 98 N -4.29 0.00 -2.23 4.33 8.25 -1.20 -5.06 115.22 115.02 3hjg n HIS 98 Ca 0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 3hjg n HIS 98 Cb 0.17 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 3hjg n HIS 98 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hjg s TRP 99 N 1.55 3.16 -0.98 4.41 0.51 -1.25 -4.91 118.94 121.42 3hjg s TRP 99 Ca 0.00 1.51 -0.01 0.00 -2.12 0.00 0.00 56.10 55.48 3hjg s TRP 99 Cb 0.00 -3.53 0.32 0.00 -0.81 0.00 0.00 33.47 29.46 3hjg s TRP 99 CO 0.00 -1.45 1.79 1.17 -0.51 0.00 0.00 176.95 177.94 3hjg n LYS 100 N 0.69 5.08 -0.00 4.98 4.81 -1.26 -4.53 118.16 127.93 3hjg n LYS 100 Ca 0.01 -4.58 0.04 0.00 -0.87 0.00 0.00 58.31 52.90 3hjg n LYS 100 Cb 0.44 -2.44 -0.06 0.00 0.02 0.00 0.00 35.03 32.99 3hjg n LYS 100 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3hjg n LYS 101 N -0.12 1.40 0.24 1.64 2.85 -1.26 -4.54 118.16 118.37 3hjg n LYS 101 Ca 0.47 -0.05 0.16 0.00 -1.05 0.00 0.00 58.31 57.83 3hjg n LYS 101 Cb 0.27 -1.10 0.68 0.00 -0.65 0.00 0.00 35.03 34.23 3hjg n LYS 101 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 3hjg h LEU 102 N 0.00 0.00 -1.15 -5.58 8.10 -2.00 -2.19 115.31 112.49 3hjg h LEU 102 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 3hjg h LEU 102 Cb 0.31 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.53 3hjg h LEU 102 CO 0.00 0.00 -0.12 -2.24 -4.11 0.00 0.00 178.44 171.97 3hjg h ASP 103 N 0.00 0.00 1.11 0.17 3.04 -1.94 -0.38 116.42 118.42 3hjg h ASP 103 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3hjg h ASP 103 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 3hjg h ASP 103 CO 0.00 0.12 -0.54 0.00 -2.04 0.00 0.00 179.24 176.79 3hjg h ALA 104 N 1.88 0.67 0.11 4.15 0.00 -1.70 -2.73 119.26 121.65 3hjg h ALA 104 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 3hjg h ALA 104 Cb 0.68 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.50 3hjg h ALA 104 CO 0.02 0.00 -1.02 0.35 0.00 0.00 0.00 179.25 178.59 3hjg h PHE 105 N 0.00 0.81 -0.07 0.00 3.57 -1.26 -2.96 116.94 117.03 3hjg h PHE 105 Ca 0.00 -0.52 -0.14 0.00 3.53 0.00 0.00 57.97 60.84 3hjg h PHE 105 Cb 0.83 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3hjg h PHE 105 CO 0.00 1.38 -0.59 -1.49 -2.23 0.00 0.00 178.31 175.38 3hjg h TRP 106 N 0.02 0.29 -0.15 0.41 6.55 -1.20 -2.45 115.95 119.43 3hjg h TRP 106 Ca -0.16 -0.11 -0.03 0.00 0.95 0.00 0.00 58.89 59.54 3hjg h TRP 106 Cb 1.75 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 29.99 3hjg h TRP 106 CO 0.15 0.76 -0.01 0.37 -1.05 0.00 0.00 178.44 178.66 3hjg h GLN 107 N 0.17 0.26 -1.87 0.49 5.75 -1.58 -3.43 115.11 114.91 3hjg h GLN 107 Ca -0.00 -0.09 -0.20 0.00 -0.15 0.00 0.00 58.65 58.21 3hjg h GLN 107 Cb 1.08 -0.02 -0.30 0.00 1.07 0.00 0.00 27.48 29.31 3hjg h GLN 107 CO 0.09 0.51 -0.53 -1.54 -2.65 0.00 0.00 178.83 174.71 3hjg s SER 108 N -5.79 0.55 0.00 -0.69 1.04 -1.12 -4.76 113.70 102.93 3hjg s SER 108 Ca -0.14 -0.19 0.16 0.00 0.48 0.00 0.00 55.95 56.25 3hjg s SER 108 Cb 0.06 1.00 0.81 0.00 0.10 0.00 0.00 66.02 67.98 3hjg s SER 108 CO 0.72 -0.34 1.54 -0.81 0.98 0.00 0.00 173.24 175.33 3hjg n PRO 109 N 5.35 1.21 0.13 4.02 -0.05 -0.92 -3.53 135.00 141.22 3hjg n PRO 109 Ca -0.02 -0.33 -0.01 0.00 -0.05 0.00 0.00 63.50 63.09 3hjg n PRO 109 Cb 0.49 -1.27 0.20 0.00 -0.05 0.00 0.00 33.50 32.87 3hjg n PRO 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3hjg h ALA 110 N 3.60 1.03 -1.58 0.55 0.00 -1.88 -3.36 119.26 117.63 3hjg h ALA 110 Ca 0.00 -0.51 -0.44 0.00 0.00 0.00 0.00 54.91 53.96 3hjg h ALA 110 Cb 0.14 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 3hjg h ALA 110 CO 0.00 0.70 -1.17 -2.39 0.00 0.00 0.00 179.25 176.40 3hjg n HIS 111 N -3.88 0.81 -3.66 0.00 1.44 -1.23 -5.06 115.22 103.64 3hjg n HIS 111 Ca -0.01 -3.38 -0.13 0.00 -2.01 0.00 0.00 57.72 52.19 3hjg n HIS 111 Cb 0.57 -0.40 -0.08 0.00 0.12 0.00 0.00 29.99 30.21 3hjg n HIS 111 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3hjg s HIS 112 N -2.79 -0.73 -0.11 -1.40 5.04 -1.25 -5.01 115.29 109.05 3hjg s HIS 112 Ca 0.35 1.71 -0.05 0.00 -1.54 0.00 0.00 55.06 55.54 3hjg s HIS 112 Cb 0.39 0.28 0.05 0.00 0.04 0.00 0.00 32.58 33.35 3hjg s HIS 112 CO -0.04 -0.35 0.23 0.45 -2.34 0.00 0.00 174.74 172.69 3hjg s SER 113 N 0.54 0.11 -0.47 9.88 0.15 -1.26 -4.75 113.70 117.90 3hjg s SER 113 Ca -0.02 0.51 -0.28 0.00 0.70 0.00 0.00 55.95 56.86 3hjg s SER 113 Cb -0.05 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.74 3hjg s SER 113 CO -0.02 -0.20 1.59 -0.76 1.20 0.00 0.00 173.24 175.04 3hjg s LEU 114 N 1.82 3.46 0.00 3.45 1.02 -1.26 -4.76 118.68 122.40 3hjg s LEU 114 Ca -0.04 0.72 0.00 0.00 0.02 0.00 0.00 54.13 54.83 3hjg s LEU 114 Cb -0.11 -3.23 0.00 0.00 0.02 0.00 0.00 46.19 42.87 3hjg s LEU 114 CO -0.08 -1.74 0.00 -2.65 0.02 0.00 0.00 176.35 171.90 3hjg n PRO 115 N 8.52 0.00 -0.76 1.29 -0.02 -1.26 0.30 135.00 143.07 3hjg n PRO 115 Ca 0.18 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.71 3hjg n PRO 115 Cb 0.49 0.00 0.34 0.00 -0.02 0.00 0.00 33.50 34.30 3hjg n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hjg n ASN 116 N -0.14 4.90 -4.88 2.55 5.03 -1.26 -5.00 115.26 116.46 3hjg n ASN 116 Ca 0.00 -3.03 -0.30 0.00 0.87 0.00 0.00 54.58 52.13 3hjg n ASN 116 Cb 0.00 -0.64 -0.00 0.00 -1.02 0.00 0.00 39.78 38.11 3hjg n ASN 116 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hjg s ALA 117 N -2.84 3.25 0.31 5.41 0.00 0.15 -3.82 121.76 124.21 3hjg s ALA 117 Ca 0.50 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 3hjg s ALA 117 Cb 0.39 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.58 3hjg s ALA 117 CO 0.13 -0.43 1.21 -1.21 0.00 0.00 0.00 175.76 175.46 3hjg s GLU 118 N -4.75 4.48 0.67 0.00 2.02 0.85 -4.78 118.70 117.19 3hjg s GLU 118 Ca 0.52 2.03 -0.11 0.00 0.02 0.00 0.00 54.97 57.42 3hjg s GLU 118 Cb -0.11 -3.13 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 3hjg s GLU 118 CO 0.46 -0.01 1.06 -1.54 0.02 0.00 0.00 175.26 175.25 3hjg s SER 119 N -0.64 5.73 0.31 -0.19 1.04 -1.26 -4.80 113.70 113.89 3hjg s SER 119 Ca 0.47 1.34 -0.01 0.00 0.48 0.00 0.00 55.95 58.23 3hjg s SER 119 Cb -0.36 -2.26 0.50 0.00 0.10 0.00 0.00 66.02 64.00 3hjg s SER 119 CO 0.47 -1.18 1.98 -0.07 0.98 0.00 0.00 173.24 175.42 3hjg h LEU 120 N -0.54 0.89 -0.49 2.42 4.07 -1.85 -1.02 115.31 118.79 3hjg h LEU 120 Ca -0.45 -0.02 0.09 0.00 0.08 0.00 0.00 57.88 57.58 3hjg h LEU 120 Cb 1.22 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.66 3hjg h LEU 120 CO 0.62 0.64 0.03 -1.28 -1.08 0.00 0.00 178.44 177.37 3hjg h SER 121 N 1.05 -0.14 -0.29 -0.43 0.87 -1.93 0.44 113.55 113.11 3hjg h SER 121 Ca 0.29 0.11 -0.17 0.00 -1.23 0.00 0.00 61.79 60.78 3hjg h SER 121 Cb -0.11 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3hjg h SER 121 CO -0.06 -0.04 -0.48 0.74 -0.53 0.00 0.00 176.83 176.46 3hjg h THR 122 N 0.15 1.28 -0.12 2.23 2.02 -1.87 -2.86 112.91 113.74 3hjg h THR 122 Ca 0.25 -1.66 -0.05 0.00 0.77 0.00 0.00 66.41 65.71 3hjg h THR 122 Cb 0.36 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3hjg h THR 122 CO -0.38 0.55 -0.12 0.15 0.37 0.00 0.00 175.52 176.09 3hjg h PHE 123 N 0.69 0.36 -0.03 3.16 -0.00 -0.61 -2.65 116.94 117.86 3hjg h PHE 123 Ca 0.03 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.97 57.81 3hjg h PHE 123 Cb 1.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 35.95 36.94 3hjg h PHE 123 CO 0.07 0.70 -0.40 0.66 -0.00 0.00 0.00 178.31 179.34 3hjg h SER 124 N -0.09 0.06 0.81 0.41 4.64 -0.25 -2.35 113.55 116.79 3hjg h SER 124 Ca 0.02 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3hjg h SER 124 Cb 0.64 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3hjg h SER 124 CO 0.03 0.46 -0.50 -0.61 -0.87 0.00 0.00 176.83 175.34 3hjg h GLN 125 N 0.05 -1.18 0.00 4.77 5.75 -1.43 -1.46 115.11 121.61 3hjg h GLN 125 Ca 0.00 0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3hjg h GLN 125 Cb 0.73 0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 3hjg h GLN 125 CO 0.05 -0.79 -0.27 0.07 -2.65 0.00 0.00 178.83 175.25 3hjg h ARG 126 N -1.22 0.00 0.04 1.69 0.11 -1.40 -0.22 114.38 113.38 3hjg h ARG 126 Ca -0.11 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 3hjg h ARG 126 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 3hjg h ARG 126 CO 0.11 0.27 -0.02 0.28 0.10 0.00 0.00 179.97 180.71 3hjg h VAL 127 N 0.00 1.35 0.00 0.08 2.07 -1.42 -2.78 116.25 115.55 3hjg h VAL 127 Ca -0.00 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 3hjg h VAL 127 Cb 0.64 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 3hjg h VAL 127 CO 0.04 0.36 -0.42 0.77 0.02 0.00 0.00 177.57 178.34 3hjg h SER 128 N -0.72 0.00 -0.57 0.57 4.64 -1.11 -0.48 113.55 115.87 3hjg h SER 128 Ca -0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3hjg h SER 128 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 3hjg h SER 128 CO 0.01 0.42 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.25 3hjg h ARG 129 N 0.00 1.04 -0.09 4.77 2.43 -1.13 -0.85 114.38 120.56 3hjg h ARG 129 Ca -0.00 -0.36 -0.18 0.00 -0.81 0.00 0.00 59.98 58.63 3hjg h ARG 129 Cb 0.84 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3hjg h ARG 129 CO 0.05 1.05 -0.70 0.00 -1.51 0.00 0.00 179.97 178.87 3hjg h ALA 130 N 0.95 0.62 -0.16 2.80 0.00 -1.21 -3.11 119.26 119.15 3hjg h ALA 130 Ca 0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3hjg h ALA 130 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hjg h ALA 130 CO 0.04 0.75 0.01 2.35 0.00 0.00 0.00 179.25 182.39 3hjg h TRP 131 N 0.30 0.31 -0.34 0.00 2.91 -0.92 -1.76 115.95 116.44 3hjg h TRP 131 Ca -0.03 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.93 3hjg h TRP 131 Cb 1.27 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.82 3hjg h TRP 131 CO 0.04 0.49 0.16 0.77 -1.03 0.00 0.00 178.44 178.88 3hjg h SER 132 N 0.04 0.41 -0.25 2.65 0.02 -1.24 -1.79 113.55 113.39 3hjg h SER 132 Ca 0.05 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 3hjg h SER 132 Cb 0.36 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3hjg h SER 132 CO 0.01 0.36 -0.51 1.56 -1.14 0.00 0.00 176.83 177.10 3hjg h GLN 133 N 0.47 0.79 -0.36 3.45 4.20 -1.46 -3.12 115.11 119.09 3hjg h GLN 133 Ca 0.12 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 3hjg h GLN 133 Cb 0.05 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3hjg h GLN 133 CO -0.02 1.14 0.07 0.82 -0.67 0.00 0.00 178.83 180.17 3hjg h ILE 134 N 0.54 1.23 0.00 2.54 2.04 -0.70 -1.77 117.51 121.39 3hjg h ILE 134 Ca 0.01 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3hjg h ILE 134 Cb 1.12 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3hjg h ILE 134 CO 0.11 0.27 0.00 0.16 0.00 0.00 0.00 178.15 178.70 3hjg h ILE 135 N 0.43 0.00 0.00 -0.67 3.07 -1.46 -2.46 117.51 116.42 3hjg h ILE 135 Ca 0.11 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.11 3hjg h ILE 135 Cb 0.34 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 3hjg h ILE 135 CO 0.00 0.00 -1.15 0.59 -1.05 0.00 0.00 178.15 176.55 3hjg n ASN 136 N -2.94 0.62 -0.41 2.16 3.02 -1.04 -4.14 115.26 112.52 3hjg n ASN 136 Ca 0.00 0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.74 3hjg n ASN 136 Cb 0.26 0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 40.21 3hjg n ASN 136 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hjg n ASP 137 N -2.32 1.85 -4.69 6.41 8.00 -0.69 -5.01 116.55 120.09 3hjg n ASP 137 Ca 0.00 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.65 3hjg n ASP 137 Cb 0.51 0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 42.15 3hjg n ASP 137 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hjg s ILE 138 N -2.57 4.70 -0.05 0.53 2.07 -0.96 -5.05 121.20 119.87 3hjg s ILE 138 Ca 0.17 1.97 0.05 0.00 -1.41 0.00 0.00 60.65 61.43 3hjg s ILE 138 Cb 0.18 -4.26 -0.02 0.00 0.13 0.00 0.00 42.46 38.49 3hjg s ILE 138 CO 0.63 0.04 -0.22 0.20 -1.91 0.00 0.00 174.94 173.68 3hjg s ASN 139 N 1.13 3.39 0.87 4.50 0.02 -1.26 -5.07 114.94 118.51 3hjg s ASN 139 Ca 0.50 -0.41 0.00 0.00 -1.02 0.00 0.00 52.86 51.94 3hjg s ASN 139 Cb -0.20 -0.81 0.00 0.00 0.02 0.00 0.00 41.25 40.26 3hjg s ASN 139 CO 0.21 0.28 0.00 0.47 0.02 0.00 0.00 177.10 178.08 3hjg n ASP 140 N 2.74 -4.73 -4.74 -1.22 8.00 -1.26 -4.81 116.55 110.53 3hjg n ASP 140 Ca -0.17 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.93 3hjg n ASP 140 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 3hjg n ASP 140 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3hjg s ASN 141 N -4.00 7.29 -0.03 -2.24 0.01 -1.26 -4.53 114.94 110.19 3hjg s ASN 141 Ca 0.00 1.55 0.04 0.00 -0.71 0.00 0.00 52.86 53.74 3hjg s ASN 141 Cb 0.00 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 3hjg s ASN 141 CO 0.00 0.01 -0.16 -1.48 -1.51 0.00 0.00 177.10 173.96 3hjg s LEU 142 N -0.10 1.96 -0.05 0.60 0.05 -0.71 0.21 118.68 120.64 3hjg s LEU 142 Ca 0.40 -0.31 -0.19 0.00 0.05 0.00 0.00 54.13 54.09 3hjg s LEU 142 Cb -0.21 -0.86 -0.05 0.00 -2.05 0.00 0.00 46.19 43.01 3hjg s LEU 142 CO 0.25 0.17 0.53 -0.22 -0.55 0.00 0.00 176.35 176.52 3hjg s LEU 143 N -0.16 4.36 -0.30 1.48 2.96 -0.64 -1.20 118.68 125.19 3hjg s LEU 143 Ca 0.01 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.90 3hjg s LEU 143 Cb -0.09 -2.79 0.05 0.00 0.50 0.00 0.00 46.19 43.86 3hjg s LEU 143 CO 0.01 0.08 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.49 3hjg s ILE 144 N 0.05 2.99 -0.40 6.68 1.01 0.13 -1.09 121.20 130.57 3hjg s ILE 144 Ca 0.28 -1.37 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 3hjg s ILE 144 Cb -0.17 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.61 3hjg s ILE 144 CO 0.14 -0.09 0.78 -0.69 0.00 0.00 0.00 174.94 175.07 3hjg s VAL 145 N 1.26 4.70 0.00 2.92 1.01 -0.43 -0.17 120.40 129.68 3hjg s VAL 145 Ca -0.05 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3hjg s VAL 145 Cb -0.20 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3hjg s VAL 145 CO -0.01 -0.56 0.00 1.07 0.00 0.00 0.00 175.10 175.60 3hjg n THR 146 N 5.95 0.00 -4.21 3.92 5.66 0.09 -1.48 114.28 124.21 3hjg n THR 146 Ca 0.02 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.79 3hjg n THR 146 Cb 0.48 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.20 3hjg n THR 146 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3hjg s HIS 147 N -2.55 2.87 0.22 1.09 3.76 -1.26 -3.13 115.29 116.29 3hjg s HIS 147 Ca 0.00 -0.16 -0.08 0.00 -0.15 0.00 0.00 55.06 54.67 3hjg s HIS 147 Cb 0.00 -1.32 0.27 0.00 1.11 0.00 0.00 32.58 32.64 3hjg s HIS 147 CO 0.00 0.56 1.82 0.78 -0.85 0.00 0.00 174.74 177.05 3hjg h GLY 148 N 2.04 1.08 1.23 -2.22 0.00 -1.93 -1.99 103.07 101.28 3hjg h GLY 148 Ca -0.46 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.59 3hjg h GLY 148 CO 0.60 0.20 0.47 -1.33 0.00 0.00 0.00 176.54 176.48 3hjg h GLY 149 N 0.78 1.00 0.66 4.60 0.00 -1.96 -0.58 103.07 107.57 3hjg h GLY 149 Ca 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3hjg h GLY 149 CO -0.17 0.33 -0.05 -2.08 0.00 0.00 0.00 176.54 174.57 3hjg h VAL 150 N 0.91 1.34 -0.82 4.60 2.07 -1.76 -3.06 116.25 119.54 3hjg h VAL 150 Ca 0.28 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3hjg h VAL 150 Cb -0.01 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3hjg h VAL 150 CO -0.07 0.30 0.50 0.40 0.02 0.00 0.00 177.57 178.72 3hjg h ILE 151 N -0.23 1.04 -0.89 4.57 2.04 -1.04 -2.21 117.51 120.79 3hjg h ILE 151 Ca 0.02 -0.32 0.10 0.00 1.00 0.00 0.00 64.86 65.66 3hjg h ILE 151 Cb 0.51 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 3hjg h ILE 151 CO 0.01 0.17 0.53 0.03 0.00 0.00 0.00 178.15 178.89 3hjg h ARG 152 N 0.92 0.85 -0.34 2.37 3.08 -1.09 -0.34 114.38 119.82 3hjg h ARG 152 Ca 0.35 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.21 3hjg h ARG 152 Cb 0.16 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3hjg h ARG 152 CO -0.17 0.56 -0.34 0.82 -1.07 0.00 0.00 179.97 179.78 3hjg h ILE 153 N 0.87 1.29 -0.47 2.04 2.04 -1.31 -0.29 117.51 121.69 3hjg h ILE 153 Ca 0.43 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3hjg h ILE 153 Cb 0.40 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3hjg h ILE 153 CO -0.25 0.49 0.30 0.40 0.00 0.00 0.00 178.15 179.09 3hjg h ILE 154 N 0.61 1.11 -0.10 -0.67 2.04 -0.96 0.30 117.51 119.84 3hjg h ILE 154 Ca 0.05 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 3hjg h ILE 154 Cb 0.92 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3hjg h ILE 154 CO 0.08 0.11 -0.35 -0.07 0.00 0.00 0.00 178.15 177.92 3hjg h LEU 155 N 0.62 0.20 -0.66 1.44 3.38 -1.00 -0.91 115.31 118.37 3hjg h LEU 155 Ca 0.17 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3hjg h LEU 155 Cb -0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3hjg h LEU 155 CO -0.05 0.54 -0.18 0.00 0.09 0.00 0.00 178.44 178.85 3hjg h ALA 156 N 1.47 0.85 0.22 1.53 0.00 -0.48 -2.22 119.26 120.64 3hjg h ALA 156 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3hjg h ALA 156 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hjg h ALA 156 CO 0.05 0.64 -0.11 1.25 0.00 0.00 0.00 179.25 181.09 3hjg h HIS 157 N 0.75 -0.28 -0.43 0.00 -0.00 -0.62 0.17 115.15 114.75 3hjg h HIS 157 Ca 0.11 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 3hjg h HIS 157 Cb 0.71 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 3hjg h HIS 157 CO 0.04 0.10 0.22 0.28 -0.00 0.00 0.00 177.93 178.56 3hjg h VAL 158 N -0.74 1.17 -0.00 5.26 2.07 -1.23 -2.22 116.25 120.56 3hjg h VAL 158 Ca -0.03 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hjg h VAL 158 Cb 0.50 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3hjg h VAL 158 CO 0.05 0.18 -0.02 0.18 0.02 0.00 0.00 177.57 177.99 3hjg n LEU 159 N -4.68 0.02 -1.66 2.57 4.77 -0.83 -4.93 117.00 112.25 3hjg n LEU 159 Ca 0.01 0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3hjg n LEU 159 Cb 0.10 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3hjg n LEU 159 CO 0.36 0.01 -0.03 0.61 -1.33 0.00 0.00 177.39 177.01 3hjg n GLY 160 N 1.44 -0.00 3.89 -0.72 0.00 -0.68 -5.03 105.19 104.08 3hjg n GLY 160 Ca 0.09 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3hjg n GLY 160 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hjg s VAL 161 N -2.82 5.16 -0.03 1.61 -7.23 -0.04 -5.02 120.40 112.03 3hjg s VAL 161 Ca 0.13 0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.13 3hjg s VAL 161 Cb -0.06 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 3hjg s VAL 161 CO 0.16 0.11 1.45 -0.62 -0.31 0.00 0.00 175.10 175.89 3hjg s ASP 162 N -2.25 6.81 0.41 4.85 3.68 -1.26 -4.50 116.67 124.40 3hjg s ASP 162 Ca 0.39 2.11 0.29 0.00 2.13 0.00 0.00 52.55 57.46 3hjg s ASP 162 Cb -0.12 -2.55 1.41 0.00 -1.45 0.00 0.00 42.92 40.20 3hjg s ASP 162 CO 0.23 -0.78 1.87 4.11 0.13 0.00 0.00 175.17 180.73 3hjg h TRP 163 N 8.24 0.00 0.00 -5.34 5.08 -1.97 -2.31 115.95 119.65 3hjg h TRP 163 Ca -0.37 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.55 3hjg h TRP 163 Cb 1.17 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.32 3hjg h TRP 163 CO 0.79 0.00 -0.22 -0.09 -1.28 0.00 0.00 178.44 177.64 3hjg h ARG 164 N 0.00 0.00 -6.21 0.12 2.43 -1.99 -3.45 114.38 105.27 3hjg h ARG 164 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 3hjg h ARG 164 Cb 0.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3hjg h ARG 164 CO 0.00 0.22 1.27 1.21 -1.51 0.00 0.00 179.97 181.16 3hjg s ASN 165 N -6.18 6.10 0.39 -3.80 2.47 -0.87 -4.62 114.94 108.42 3hjg s ASN 165 Ca 0.02 1.94 0.17 0.00 0.42 0.00 0.00 52.86 55.41 3hjg s ASN 165 Cb 0.09 -2.52 0.79 0.00 -1.45 0.00 0.00 41.25 38.16 3hjg s ASN 165 CO 0.65 -1.44 1.82 1.55 -3.72 0.00 0.00 177.10 175.96 3hjg h PRO 166 N 12.09 0.00 -0.17 0.43 0.13 -1.87 -3.05 132.00 139.57 3hjg h PRO 166 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 3hjg h PRO 166 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3hjg h PRO 166 CO 0.98 0.35 -0.13 0.37 -0.23 0.00 0.00 178.00 179.34 3hjg h GLN 167 N 0.00 0.27 -0.53 0.86 5.75 -1.90 -1.81 115.11 117.75 3hjg h GLN 167 Ca -0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3hjg h GLN 167 Cb 0.71 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 3hjg h GLN 167 CO 0.05 0.41 0.35 2.35 -2.65 0.00 0.00 178.83 179.33 3hjg h TRP 168 N 0.26 0.66 0.00 3.99 2.91 -1.92 0.17 115.95 122.02 3hjg h TRP 168 Ca 0.05 0.01 -0.22 0.00 1.13 0.00 0.00 58.89 59.86 3hjg h TRP 168 Cb 0.40 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 3hjg h TRP 168 CO 0.01 0.42 -1.74 0.66 -1.03 0.00 0.00 178.44 176.76 3hjg n TYR 169 N -4.45 0.69 -0.13 2.65 4.01 -1.10 -3.05 117.16 115.79 3hjg n TYR 169 Ca 0.05 0.24 -0.11 0.00 -0.16 0.00 0.00 57.90 57.91 3hjg n TYR 169 Cb 0.05 -1.04 -0.02 0.00 -0.31 0.00 0.00 39.34 38.02 3hjg n TYR 169 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hjg h SER 170 N 0.00 0.77 0.00 7.72 0.87 -0.86 -3.39 113.55 118.66 3hjg h SER 170 Ca -0.26 -0.38 -0.21 0.00 -1.23 0.00 0.00 61.79 59.71 3hjg h SER 170 Cb 1.77 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 63.48 3hjg h SER 170 CO 0.05 0.98 -1.81 0.35 -0.53 0.00 0.00 176.83 175.86 3hjg n THR 171 N -4.33 0.77 -2.57 2.23 -2.24 0.57 -4.79 114.28 103.92 3hjg n THR 171 Ca -0.02 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 3hjg n THR 171 Cb 0.38 -0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 3hjg n THR 171 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hjg s LEU 172 N -4.82 3.68 -0.19 3.22 0.20 -1.17 -4.95 118.68 114.65 3hjg s LEU 172 Ca -0.06 -1.94 -0.29 0.00 0.69 0.00 0.00 54.13 52.53 3hjg s LEU 172 Cb 0.04 -2.57 -0.00 0.00 -0.43 0.00 0.00 46.19 43.22 3hjg s LEU 172 CO 0.50 -1.34 1.11 0.00 -0.29 0.00 0.00 176.35 176.32 3hjg s ALA 173 N 4.59 3.64 -0.20 5.97 0.00 -1.26 -4.87 121.76 129.63 3hjg s ALA 173 Ca 0.50 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 3hjg s ALA 173 Cb 0.02 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3hjg s ALA 173 CO -0.01 -1.01 -0.08 0.96 0.00 0.00 0.00 175.76 175.61 3hjg s ILE 174 N 3.07 3.10 0.87 0.00 -4.36 -1.26 -5.02 121.20 117.61 3hjg s ILE 174 Ca 0.48 -0.59 -0.12 0.00 -0.26 0.00 0.00 60.65 60.16 3hjg s ILE 174 Cb -0.18 -2.38 0.11 0.00 1.25 0.00 0.00 42.46 41.26 3hjg s ILE 174 CO 0.11 0.46 1.11 -0.83 0.24 0.00 0.00 174.94 176.02 3hjg s GLY 175 N 1.31 1.60 0.26 6.27 0.00 -1.26 -4.86 107.32 110.63 3hjg s GLY 175 Ca 0.04 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 3hjg s GLY 175 CO -0.04 0.20 1.29 -1.31 0.00 0.00 0.00 173.10 173.24 3hjg s ASN 176 N -3.81 6.89 -1.32 1.64 0.01 -1.26 -2.93 114.94 114.16 3hjg s ASN 176 Ca 0.63 2.50 -0.01 0.00 -0.71 0.00 0.00 52.86 55.26 3hjg s ASN 176 Cb -0.16 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 38.89 3hjg s ASN 176 CO 0.55 -0.49 0.77 0.00 -1.51 0.00 0.00 177.10 176.42 3hjg n ALA 177 N 1.75 -1.93 -3.65 0.60 0.00 -0.94 -4.76 120.51 111.57 3hjg n ALA 177 Ca 0.03 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 3hjg n ALA 177 Cb 0.43 -2.30 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 3hjg n ALA 177 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hjg s SER 178 N -4.25 4.40 -0.34 0.00 1.04 -1.15 -1.64 113.70 111.76 3hjg s SER 178 Ca 0.08 -0.83 -0.28 0.00 0.48 0.00 0.00 55.95 55.39 3hjg s SER 178 Cb -0.04 -1.69 0.02 0.00 0.10 0.00 0.00 66.02 64.41 3hjg s SER 178 CO 0.80 -0.13 1.05 -0.69 0.98 0.00 0.00 173.24 175.26 3hjg s VAL 179 N 1.35 4.50 -0.40 5.02 1.01 0.10 -2.81 120.40 129.18 3hjg s VAL 179 Ca 0.01 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.47 3hjg s VAL 179 Cb -0.17 -4.41 0.04 0.00 0.00 0.00 0.00 36.38 31.84 3hjg s VAL 179 CO -0.04 -0.53 0.24 0.28 0.00 0.00 0.00 175.10 175.05 3hjg s THR 180 N 3.68 4.56 -0.08 3.92 -1.32 0.90 -2.05 115.64 125.25 3hjg s THR 180 Ca 0.44 -1.01 -0.30 0.00 -1.21 0.00 0.00 61.69 59.61 3hjg s THR 180 Cb -0.12 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.21 3hjg s THR 180 CO 0.17 -0.34 1.41 -2.28 -2.21 0.00 0.00 174.62 171.38 3hjg s HIS 181 N 1.53 2.60 -0.08 9.09 2.46 0.04 -2.15 115.29 128.78 3hjg s HIS 181 Ca 0.02 0.72 0.04 0.00 0.47 0.00 0.00 55.06 56.31 3hjg s HIS 181 Cb -0.21 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.58 3hjg s HIS 181 CO 0.06 -2.53 -0.19 0.42 -2.47 0.00 0.00 174.74 170.02 3hjg s ILE 182 N 3.32 1.64 -0.10 0.89 1.01 0.04 -1.66 121.20 126.34 3hjg s ILE 182 Ca 0.63 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3hjg s ILE 182 Cb -0.28 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 3hjg s ILE 182 CO 0.23 0.47 -0.13 0.28 0.00 0.00 0.00 174.94 175.78 3hjg s THR 183 N 0.39 3.06 -0.05 2.92 -1.32 -0.42 -0.47 115.64 119.74 3hjg s THR 183 Ca -0.14 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 3hjg s THR 183 Cb -0.16 -2.25 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 3hjg s THR 183 CO 0.06 0.55 -0.03 0.27 -2.21 0.00 0.00 174.62 173.26 3hjg s ILE 184 N -0.05 4.03 -0.11 5.08 -5.25 -0.41 -0.76 121.20 123.73 3hjg s ILE 184 Ca -0.03 -0.45 0.02 0.00 -0.99 0.00 0.00 60.65 59.20 3hjg s ILE 184 Cb -0.14 -2.71 0.01 0.00 2.95 0.00 0.00 42.46 42.57 3hjg s ILE 184 CO 0.04 0.53 -0.18 0.28 -1.79 0.00 0.00 174.94 173.81 3hjg s THR 185 N -0.92 1.71 -0.22 8.37 -1.32 0.15 -0.09 115.64 123.32 3hjg s THR 185 Ca 0.15 -0.79 -0.01 0.00 -1.21 0.00 0.00 61.69 59.83 3hjg s THR 185 Cb -0.11 -1.53 0.01 0.00 -1.51 0.00 0.00 72.50 69.37 3hjg s THR 185 CO 0.04 0.48 -0.10 0.27 -2.21 0.00 0.00 174.62 173.11 3hjg s ILE 186 N 0.76 2.77 0.00 5.08 -4.36 -1.17 -2.52 121.20 121.77 3hjg s ILE 186 Ca -0.10 -0.84 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 3hjg s ILE 186 Cb -0.16 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3hjg s ILE 186 CO 0.01 0.37 0.00 0.47 0.24 0.00 0.00 174.94 176.03 3hjg n ASP 187 N 4.69 0.00 -4.66 4.36 8.00 -1.26 -4.37 116.55 123.30 3hjg n ASP 187 Ca -0.18 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.95 3hjg n ASP 187 Cb 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.50 3hjg n ASP 187 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3hjg s ASP 188 N 1.00 6.13 0.27 -2.24 1.47 -1.26 -4.92 116.67 117.12 3hjg s ASP 188 Ca 0.00 0.13 0.00 0.00 1.18 0.00 0.00 52.55 53.86 3hjg s ASP 188 Cb 0.00 -2.11 0.00 0.00 -0.34 0.00 0.00 42.92 40.47 3hjg s ASP 188 CO 0.00 0.07 0.00 0.00 0.68 0.00 0.00 175.17 175.92 3hjg n GLN 189 N 4.25 -1.62 -4.34 2.11 10.64 -1.26 -4.91 117.38 122.26 3hjg n GLN 189 Ca -0.15 1.25 -0.35 0.00 -1.83 0.00 0.00 57.00 55.92 3hjg n GLN 189 Cb 0.52 -2.17 -0.09 0.00 -0.86 0.00 0.00 30.24 27.64 3hjg n GLN 189 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 3hjg s ILE 190 N -3.62 4.39 -0.03 -0.39 -4.36 -1.26 -4.84 121.20 111.09 3hjg s ILE 190 Ca 0.00 -0.22 0.02 0.00 -0.26 0.00 0.00 60.65 60.19 3hjg s ILE 190 Cb 0.00 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.87 3hjg s ILE 190 CO 0.00 0.61 -0.07 -0.47 0.24 0.00 0.00 174.94 175.25 3hjg s TYR 191 N -0.88 0.79 0.01 1.37 5.04 -1.05 -5.04 117.35 117.60 3hjg s TYR 191 Ca 0.13 -0.20 0.04 0.00 -2.44 0.00 0.00 57.07 54.61 3hjg s TYR 191 Cb -0.11 -0.60 -0.02 0.00 0.35 0.00 0.00 41.96 41.58 3hjg s TYR 191 CO 0.02 -0.11 -0.13 0.00 -1.34 0.00 0.00 175.55 173.99 3hjg s ALA 192 N 0.35 1.09 -0.02 3.97 0.00 -1.26 0.32 121.76 126.21 3hjg s ALA 192 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3hjg s ALA 192 Cb -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3hjg s ALA 192 CO 0.00 0.23 -0.00 -1.54 0.00 0.00 0.00 175.76 174.45 3hjg s SER 193 N -0.72 0.29 -0.32 0.00 1.04 0.06 -5.01 113.70 109.04 3hjg s SER 193 Ca 0.03 -0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.16 3hjg s SER 193 Cb -0.06 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.95 3hjg s SER 193 CO 0.00 -0.06 1.04 -0.69 0.98 0.00 0.00 173.24 174.52 3hjg s VAL 194 N 0.64 4.54 0.00 5.02 1.01 -1.26 -1.30 120.40 129.04 3hjg s VAL 194 Ca -0.06 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.59 3hjg s VAL 194 Cb -0.09 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.90 3hjg s VAL 194 CO -0.01 -0.46 0.00 0.54 0.00 0.00 0.00 175.10 175.16 3hjg n ARG 195 N 6.81 0.00 -3.93 2.72 5.12 -0.67 -4.94 116.66 121.77 3hjg n ARG 195 Ca 0.11 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.68 3hjg n ARG 195 Cb 0.47 -0.03 -0.14 0.00 -1.16 0.00 0.00 32.46 31.60 3hjg n ARG 195 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hjg s SER 196 N -1.17 4.42 -0.13 0.55 1.04 -1.21 -4.97 113.70 112.22 3hjg s SER 196 Ca 0.00 -0.84 -0.09 0.00 0.48 0.00 0.00 55.95 55.49 3hjg s SER 196 Cb 0.00 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.38 3hjg s SER 196 CO 0.00 -0.13 0.18 -0.51 0.98 0.00 0.00 173.24 173.76 3hjg s ILE 197 N 1.35 5.41 -0.15 -1.02 2.07 -1.26 -0.78 121.20 126.82 3hjg s ILE 197 Ca 0.01 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 3hjg s ILE 197 Cb -0.17 -3.48 0.00 0.00 0.13 0.00 0.00 42.46 38.94 3hjg s ILE 197 CO -0.04 0.54 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 3hjg n GLY 198 N 2.56 0.51 3.65 1.50 0.00 -1.25 -4.94 105.19 107.21 3hjg n GLY 198 Ca -0.17 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3hjg n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hjg s VAL 199 N -2.02 3.52 0.85 1.61 1.01 -0.87 -4.64 120.40 119.86 3hjg s VAL 199 Ca 0.00 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 3hjg s VAL 199 Cb 0.00 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 33.04 3hjg s VAL 199 CO 0.00 -0.11 1.09 -2.16 0.00 0.00 0.00 175.10 173.92 3hjg s PRO 200 N 4.37 1.60 -0.03 2.72 0.04 -1.26 0.03 135.00 142.47 3hjg s PRO 200 Ca 0.76 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3hjg s PRO 200 Cb -0.32 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3hjg s PRO 200 CO 0.31 -2.02 -0.02 1.28 0.04 0.00 0.00 177.00 176.59 3hjg n LEU 201 N -3.74 2.73 0.00 -3.56 4.77 -0.65 -4.79 117.00 111.76 3hjg n LEU 201 Ca 0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3hjg n LEU 201 Cb 0.55 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3hjg n LEU 201 CO 0.55 0.50 0.00 0.52 -1.33 0.00 0.00 177.39 177.63 3hjg n VAL 202 N -2.63 0.00 1.97 4.08 0.31 -1.26 -4.91 118.33 115.90 3hjg n VAL 202 Ca -0.05 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.44 3hjg n VAL 202 Cb 0.55 0.00 0.93 0.00 -0.91 0.00 0.00 33.84 34.40 3hjg n VAL 202 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67