#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 2.38 0.01 0.58 -1.32 -1.26 -2.76 115.64 113.27 3hjg s THR 3 Ca 0.00 -0.91 0.09 0.00 -1.21 0.00 0.00 61.69 59.66 3hjg s THR 3 Cb 0.00 -1.94 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 3hjg s THR 3 CO 0.00 0.55 -0.26 -0.76 -2.21 0.00 0.00 174.62 171.94 3hjg s LEU 4 N 0.31 2.12 -0.20 9.08 1.43 0.24 -4.99 118.68 126.67 3hjg s LEU 4 Ca -0.16 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.28 3hjg s LEU 4 Cb -0.17 -1.32 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 3hjg s LEU 4 CO 0.08 0.29 0.26 0.20 0.23 0.00 0.00 176.35 177.41 3hjg s ASN 5 N -0.95 6.31 -0.19 2.29 0.01 -1.26 -0.45 114.94 120.69 3hjg s ASN 5 Ca 0.11 0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 52.60 3hjg s ASN 5 Cb -0.10 -2.16 -0.00 0.00 0.41 0.00 0.00 41.25 39.40 3hjg s ASN 5 CO 0.01 0.05 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.91 3hjg s ILE 6 N 0.87 2.88 -0.43 0.60 1.01 0.54 -0.89 121.20 125.78 3hjg s ILE 6 Ca 0.13 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 3hjg s ILE 6 Cb -0.13 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.17 3hjg s ILE 6 CO 0.04 0.48 0.28 -0.31 0.00 0.00 0.00 174.94 175.43 3hjg s TYR 7 N 1.22 3.42 -0.46 3.97 1.51 0.13 -1.13 117.35 126.01 3hjg s TYR 7 Ca 0.02 -1.85 -0.28 0.00 -1.01 0.00 0.00 57.07 53.96 3hjg s TYR 7 Cb -0.14 -3.20 0.03 0.00 -0.11 0.00 0.00 41.96 38.54 3hjg s TYR 7 CO -0.05 -0.93 1.06 -0.51 -1.11 0.00 0.00 175.55 174.01 3hjg s LEU 8 N 1.34 3.79 0.00 -1.29 1.43 -0.40 -0.23 118.68 123.32 3hjg s LEU 8 Ca 0.05 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 3hjg s LEU 8 Cb -0.24 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 3hjg s LEU 8 CO -0.00 -1.14 0.18 -0.32 0.23 0.00 0.00 176.35 175.29 3hjg s MET 9 N 4.13 3.40 0.08 1.70 1.75 0.11 -0.47 119.30 130.00 3hjg s MET 9 Ca 0.44 -0.36 -0.00 0.00 -1.25 0.00 0.00 55.69 54.52 3hjg s MET 9 Cb -0.09 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 3hjg s MET 9 CO 0.28 0.66 0.24 0.50 -0.65 0.00 0.00 175.02 176.05 3hjg s ARG 10 N -2.03 3.46 0.91 4.11 3.52 -1.07 -0.57 118.95 127.28 3hjg s ARG 10 Ca 0.28 -0.43 -0.11 0.00 -0.13 0.00 0.00 55.73 55.34 3hjg s ARG 10 Cb -0.13 -3.01 0.14 0.00 -1.56 0.00 0.00 34.95 30.40 3hjg s ARG 10 CO 0.20 0.58 1.10 -3.38 -0.81 0.00 0.00 175.30 172.99 3hjg s HIS 11 N -1.57 2.04 0.51 5.12 -3.43 -1.16 -2.75 115.29 114.04 3hjg s HIS 11 Ca 0.35 1.46 -0.09 0.00 -0.80 0.00 0.00 55.06 55.99 3hjg s HIS 11 Cb -0.13 -3.18 0.12 0.00 -1.43 0.00 0.00 32.58 27.97 3hjg s HIS 11 CO 0.28 -2.60 0.53 0.41 -2.00 0.00 0.00 174.74 171.35 3hjg n GLY 12 N -0.49 -2.13 3.67 -1.38 0.00 -1.26 -2.20 105.19 101.40 3hjg n GLY 12 Ca 0.08 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3hjg n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hjg s LYS 13 N -4.18 4.24 -0.12 1.61 2.20 -1.26 -4.79 119.74 117.44 3hjg s LYS 13 Ca 0.32 1.97 -0.23 0.00 -0.36 0.00 0.00 55.97 57.67 3hjg s LYS 13 Cb -0.02 -3.76 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 3hjg s LYS 13 CO 0.24 -0.70 0.72 0.14 -0.36 0.00 0.00 175.35 175.39 3hjg s VAL 14 N 3.21 5.00 0.33 4.02 -7.23 -1.26 -4.29 120.40 120.18 3hjg s VAL 14 Ca 0.65 1.44 0.10 0.00 -1.81 0.00 0.00 61.98 62.35 3hjg s VAL 14 Cb -0.30 -4.04 -0.06 0.00 0.56 0.00 0.00 36.38 32.54 3hjg s VAL 14 CO 0.25 0.17 -0.05 -1.81 -0.31 0.00 0.00 175.10 173.35 3hjg s ASP 15 N 0.97 4.00 0.12 4.85 1.01 -0.88 -4.90 116.67 121.85 3hjg s ASP 15 Ca 0.36 -1.03 -0.31 0.00 0.71 0.00 0.00 52.55 52.27 3hjg s ASP 15 Cb -0.17 -0.47 -0.09 0.00 1.01 0.00 0.00 42.92 43.20 3hjg s ASP 15 CO 0.15 -0.18 1.52 0.00 0.21 0.00 0.00 175.17 176.87 3hjg s ALA 16 N -2.53 3.70 0.02 5.23 0.00 -1.26 -1.61 121.76 125.30 3hjg s ALA 16 Ca 0.33 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.40 3hjg s ALA 16 Cb -0.00 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3hjg s ALA 16 CO 0.18 -0.79 0.30 0.00 0.00 0.00 0.00 175.76 175.45 3hjg s ALA 17 N 1.45 -0.70 0.32 0.00 0.00 -0.10 -4.89 121.76 117.83 3hjg s ALA 17 Ca 0.69 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 3hjg s ALA 17 Cb -0.40 0.21 -0.12 0.00 0.00 0.00 0.00 23.12 22.81 3hjg s ALA 17 CO 0.31 -0.34 1.52 -0.35 0.00 0.00 0.00 175.76 176.90 3hjg n PRO 18 N 0.90 2.57 0.00 0.00 -0.04 -1.26 0.35 135.00 137.52 3hjg n PRO 18 Ca -0.20 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3hjg n PRO 18 Cb 0.58 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 3hjg n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hjg n GLY 19 N 1.56 5.11 3.72 0.55 0.00 0.49 -4.63 105.19 111.99 3hjg n GLY 19 Ca 0.06 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 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 4.44 -1.41 0.99 1.02 -1.26 -3.88 118.68 118.58 3hjg s LEU 20 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 54.13 56.01 3hjg s LEU 20 Cb 0.00 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.62 3hjg s LEU 20 CO 0.00 -0.22 0.00 1.41 0.02 0.00 0.00 176.35 177.56 3hjg n HIS 21 N 3.19 0.00 -0.18 0.29 8.25 -1.26 -2.45 115.22 123.07 3hjg n HIS 21 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3hjg n HIS 21 Cb 0.49 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 29.05 3hjg n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hjg n GLY 22 N -0.89 0.68 3.80 -1.41 0.00 -1.25 -5.08 105.19 101.03 3hjg n GLY 22 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3hjg n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hjg s GLN 23 N -0.82 2.86 -0.27 1.61 -0.21 -1.02 -4.85 119.66 116.95 3hjg s GLN 23 Ca 0.00 1.12 -0.16 0.00 0.02 0.00 0.00 55.36 56.34 3hjg s GLN 23 Cb 0.00 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 3hjg s GLN 23 CO 0.00 -1.17 0.42 0.99 -2.12 0.00 0.00 175.29 173.42 3hjg s THR 24 N -2.77 5.13 0.28 -0.19 2.01 -1.26 -0.38 115.64 118.46 3hjg s THR 24 Ca 0.61 0.65 0.06 0.00 0.31 0.00 0.00 61.69 63.33 3hjg s THR 24 Cb -0.16 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3hjg s THR 24 CO 0.49 0.12 0.36 -0.62 -0.69 0.00 0.00 174.62 174.28 3hjg s ASP 25 N 1.62 6.01 -0.77 3.53 3.68 0.16 -4.86 116.67 126.03 3hjg s ASP 25 Ca 0.17 -0.10 -0.13 0.00 2.13 0.00 0.00 52.55 54.61 3hjg s ASP 25 Cb -0.16 -1.53 0.20 0.00 -1.45 0.00 0.00 42.92 39.99 3hjg s ASP 25 CO 0.10 -0.20 0.71 -0.76 0.13 0.00 0.00 175.17 175.14 3hjg s LEU 26 N -4.02 6.57 -0.07 -1.34 1.43 -1.26 -0.93 118.68 119.06 3hjg s LEU 26 Ca 0.38 -2.59 -0.03 0.00 -1.03 0.00 0.00 54.13 50.86 3hjg s LEU 26 Cb -0.09 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3hjg s LEU 26 CO 0.29 -0.59 0.05 -0.54 0.23 0.00 0.00 176.35 175.79 3hjg s LYS 27 N 0.32 3.09 -0.04 1.70 1.02 -0.63 -4.77 119.74 120.44 3hjg s LYS 27 Ca 0.16 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 3hjg s LYS 27 Cb -0.13 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 3hjg s LYS 27 CO -0.07 0.71 1.41 0.14 -0.92 0.00 0.00 175.35 176.62 3hjg s VAL 28 N -0.99 3.81 0.28 3.17 -7.23 -1.26 -2.08 120.40 116.10 3hjg s VAL 28 Ca 0.16 1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 61.16 3hjg s VAL 28 Cb -0.12 -3.72 -0.13 0.00 0.56 0.00 0.00 36.38 32.97 3hjg s VAL 28 CO 0.05 -0.03 1.31 0.29 -0.31 0.00 0.00 175.10 176.41 3hjg n LYS 29 N 5.85 1.97 -0.25 4.82 5.02 -1.26 -4.82 118.16 129.50 3hjg n LYS 29 Ca 0.14 0.70 -0.08 0.00 -2.02 0.00 0.00 58.31 57.05 3hjg n LYS 29 Cb 0.44 -2.29 0.05 0.00 -0.02 0.00 0.00 35.03 33.20 3hjg n LYS 29 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3hjg h GLU 30 N 3.32 1.13 -0.05 1.97 4.22 -1.99 -0.32 114.58 122.85 3hjg h GLU 30 Ca -0.45 -0.29 -0.12 0.00 0.08 0.00 0.00 59.36 58.58 3hjg h GLU 30 Cb 1.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3hjg h GLU 30 CO 0.69 1.02 -0.51 0.00 -2.18 0.00 0.00 179.01 178.02 3hjg h ALA 31 N 1.07 1.05 0.00 2.92 0.00 -1.99 -2.66 119.26 119.65 3hjg h ALA 31 Ca 0.21 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3hjg h ALA 31 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hjg h ALA 31 CO 0.01 0.66 -0.63 1.49 0.00 0.00 0.00 179.25 180.78 3hjg h GLU 32 N 0.11 0.00 -0.18 0.00 4.22 -1.75 -1.94 114.58 115.05 3hjg h GLU 32 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.33 3hjg h GLU 32 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3hjg h GLU 32 CO 0.07 0.63 -0.39 1.96 -2.18 0.00 0.00 179.01 179.10 3hjg h GLN 33 N 0.00 0.39 0.00 1.92 1.08 -0.90 -2.95 115.11 114.65 3hjg h GLN 33 Ca -0.01 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 56.88 3hjg h GLN 33 Cb 1.17 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 3hjg h GLN 33 CO 0.08 0.72 -0.60 0.37 -0.95 0.00 0.00 178.83 178.45 3hjg h GLN 34 N 0.33 0.00 -0.42 1.46 5.75 -1.12 -1.76 115.11 119.35 3hjg h GLN 34 Ca 0.03 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.42 3hjg h GLN 34 Cb 0.83 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 3hjg h GLN 34 CO 0.07 0.60 -0.17 1.96 -2.65 0.00 0.00 178.83 178.64 3hjg h GLN 35 N 0.00 0.80 -0.28 1.69 4.20 -1.26 -0.65 115.11 119.61 3hjg h GLN 35 Ca -0.01 -0.30 -0.18 0.00 0.06 0.00 0.00 58.65 58.22 3hjg h GLN 35 Cb 1.14 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 3hjg h GLN 35 CO 0.08 0.91 -0.55 0.82 -0.67 0.00 0.00 178.83 179.43 3hjg h ILE 36 N 0.71 1.28 -0.23 2.54 2.04 -1.37 -2.29 117.51 120.18 3hjg h ILE 36 Ca 0.11 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3hjg h ILE 36 Cb 0.68 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3hjg h ILE 36 CO 0.05 0.56 0.11 0.00 0.00 0.00 0.00 178.15 178.87 3hjg h ALA 37 N 0.73 0.30 -0.69 1.87 0.00 -1.17 -0.51 119.26 119.79 3hjg h ALA 37 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hjg h ALA 37 Cb 1.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3hjg h ALA 37 CO 0.12 -0.14 0.14 1.98 0.00 0.00 0.00 179.25 181.35 3hjg h MET 38 N 0.23 1.12 -0.13 0.00 1.85 -1.16 -2.25 114.93 114.58 3hjg h MET 38 Ca 0.08 -0.28 -0.13 0.00 -0.61 0.00 0.00 59.70 58.76 3hjg h MET 38 Cb 0.13 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 3hjg h MET 38 CO -0.01 1.00 -0.48 0.00 -0.40 0.00 0.00 176.91 177.02 3hjg h ALA 39 N 1.09 0.94 -0.33 0.39 0.00 -1.22 -0.13 119.26 119.99 3hjg h ALA 39 Ca 0.21 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3hjg h ALA 39 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hjg h ALA 39 CO 0.01 0.65 -0.41 2.35 0.00 0.00 0.00 179.25 181.85 3hjg h TRP 40 N 0.27 0.99 0.14 0.00 2.91 -0.98 -2.44 115.95 116.84 3hjg h TRP 40 Ca 0.02 -0.30 -0.01 0.00 1.13 0.00 0.00 58.89 59.73 3hjg h TRP 40 Cb 0.95 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 3hjg h TRP 40 CO 0.02 1.09 -0.07 -0.22 -1.03 0.00 0.00 178.44 178.23 3hjg h LYS 41 N 0.67 -0.19 0.00 2.65 3.64 -1.18 -3.04 116.57 119.12 3hjg h LYS 41 Ca 0.05 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3hjg h LYS 41 Cb 0.98 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3hjg h LYS 41 CO 0.09 0.23 -0.21 1.79 -2.27 0.00 0.00 179.45 179.09 3hjg h THR 42 N -0.69 0.54 0.00 1.00 1.35 -1.11 -1.38 112.91 112.62 3hjg h THR 42 Ca -0.02 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3hjg h THR 42 Cb 0.51 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3hjg h THR 42 CO 0.03 0.20 0.00 1.17 -0.25 0.00 0.00 175.52 176.68 3hjg n LYS 43 N -3.40 0.16 -2.78 4.72 4.81 -0.92 -4.95 118.16 115.79 3hjg n LYS 43 Ca -0.00 0.20 -0.11 0.00 -0.87 0.00 0.00 58.31 57.53 3hjg n LYS 43 Cb 0.41 -1.71 0.03 0.00 0.02 0.00 0.00 35.03 33.77 3hjg n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hjg n GLY 44 N 1.03 0.17 3.65 3.14 0.00 -0.52 -4.98 105.19 107.68 3hjg n GLY 44 Ca 0.05 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.97 2.19 -0.13 1.61 1.51 -1.23 -5.01 117.35 113.33 3hjg s TYR 45 Ca 0.20 0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 56.67 3hjg s TYR 45 Cb -0.09 -3.86 -0.04 0.00 -0.11 0.00 0.00 41.96 37.86 3hjg s TYR 45 CO 0.25 -3.10 0.13 0.16 -1.11 0.00 0.00 175.55 171.88 3hjg s ASP 46 N 3.40 6.31 -0.17 2.29 -4.77 -1.26 -4.96 116.67 117.52 3hjg s ASP 46 Ca 0.69 0.42 -0.26 0.00 -3.30 0.00 0.00 52.55 50.10 3hjg s ASP 46 Cb -0.28 -2.05 0.07 0.00 -1.09 0.00 0.00 42.92 39.57 3hjg s ASP 46 CO 0.26 0.38 0.67 0.54 0.70 0.00 0.00 175.17 177.73 3hjg s VAL 47 N -0.85 0.00 -0.10 2.11 0.11 -1.26 -4.87 120.40 115.55 3hjg s VAL 47 Ca 0.14 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 3hjg s VAL 47 Cb -0.12 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 3hjg s VAL 47 CO 0.03 -0.01 -0.04 0.00 -3.33 0.00 0.00 175.10 171.75 3hjg h ALA 48 N 4.20 0.00 -1.97 1.54 0.00 -1.55 -3.48 119.26 118.01 3hjg h ALA 48 Ca -0.28 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 3hjg h ALA 48 Cb 1.15 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 3hjg h ALA 48 CO 0.21 0.12 -0.64 0.20 0.00 0.00 0.00 179.25 179.13 3hjg s GLY 49 N -3.54 2.08 -0.16 0.00 0.00 -1.12 -4.13 107.32 100.45 3hjg s GLY 49 Ca -0.03 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.64 3hjg s GLY 49 CO 0.05 -1.90 -0.14 -0.42 0.00 0.00 0.00 173.10 170.69 3hjg s ILE 50 N -3.02 1.59 -0.32 0.90 1.01 0.01 -1.66 121.20 119.72 3hjg s ILE 50 Ca 0.33 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3hjg s ILE 50 Cb 0.07 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 3hjg s ILE 50 CO 0.15 0.41 0.15 -0.63 0.00 0.00 0.00 174.94 175.03 3hjg s ILE 51 N 1.47 4.58 0.24 2.92 -1.09 -0.10 -1.60 121.20 127.62 3hjg s ILE 51 Ca 0.04 -0.47 0.06 0.00 -2.23 0.00 0.00 60.65 58.06 3hjg s ILE 51 Cb -0.13 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3hjg s ILE 51 CO -0.10 0.04 0.23 -0.55 -1.23 0.00 0.00 174.94 173.32 3hjg s SER 52 N 1.60 5.69 0.28 3.58 0.15 0.43 -2.02 113.70 123.42 3hjg s SER 52 Ca 0.04 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.23 3hjg s SER 52 Cb -0.17 -1.51 -0.09 0.00 -1.71 0.00 0.00 66.02 62.54 3hjg s SER 52 CO 0.06 -0.04 1.05 -0.55 1.20 0.00 0.00 173.24 174.97 3hjg s SER 53 N -3.81 7.31 0.55 5.45 0.15 -0.46 -1.08 113.70 121.81 3hjg s SER 53 Ca 0.33 2.16 0.33 0.00 0.70 0.00 0.00 55.95 59.48 3hjg s SER 53 Cb -0.08 -2.62 1.43 0.00 -1.71 0.00 0.00 66.02 63.04 3hjg s SER 53 CO 0.26 -0.10 2.01 1.55 1.20 0.00 0.00 173.24 178.15 3hjg h PRO 54 N 3.75 0.00 -7.12 5.44 0.13 -1.88 -3.21 132.00 129.11 3hjg h PRO 54 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 3hjg h PRO 54 Cb 1.21 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.53 3hjg h PRO 54 CO 0.67 0.03 0.12 1.28 -0.23 0.00 0.00 178.00 179.86 3hjg n LEU 55 N -3.15 3.18 -0.06 1.56 4.77 -1.26 -4.68 117.00 117.37 3hjg n LEU 55 Ca 0.00 0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 3hjg n LEU 55 Cb 0.29 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 39.94 3hjg n LEU 55 CO 0.27 -2.21 0.42 -1.20 -1.33 0.00 0.00 177.39 173.34 3hjg n SER 56 N -3.05 -0.14 0.13 -1.43 7.64 -1.26 -2.12 113.62 113.39 3hjg n SER 56 Ca 0.12 0.96 -0.01 0.00 1.01 0.00 0.00 58.87 60.95 3hjg n SER 56 Cb 0.51 -0.39 0.11 0.00 -1.01 0.00 0.00 64.21 63.43 3hjg n SER 56 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 3hjg h ARG 57 N 0.00 0.00 -0.03 1.43 -0.00 -1.92 -3.18 114.38 110.69 3hjg h ARG 57 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.96 3hjg h ARG 57 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.03 3hjg h ARG 57 CO -0.13 0.65 -0.15 0.00 -0.00 0.00 0.00 179.97 180.35 3hjg h HIS 59 N -0.47 1.21 -0.51 0.00 6.17 -1.43 -2.45 115.15 117.67 3hjg h HIS 59 Ca -0.01 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3hjg h HIS 59 Cb 0.82 -0.40 -0.02 0.00 2.52 0.00 0.00 27.41 30.33 3hjg h HIS 59 CO 0.15 0.78 0.26 -0.44 0.71 0.00 0.00 177.93 179.40 3hjg h ASP 60 N 1.28 0.65 -0.30 3.26 3.32 -1.69 -0.67 116.42 122.27 3hjg h ASP 60 Ca 0.34 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3hjg h ASP 60 Cb -0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3hjg h ASP 60 CO -0.07 0.57 -0.09 0.25 -1.72 0.00 0.00 179.24 178.19 3hjg h LEU 61 N 0.68 0.59 -0.89 1.55 5.85 -1.63 -2.48 115.31 118.99 3hjg h LEU 61 Ca 0.18 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3hjg h LEU 61 Cb 0.08 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3hjg h LEU 61 CO -0.03 0.83 0.57 0.00 -0.34 0.00 0.00 178.44 179.47 3hjg h ALA 62 N 0.78 1.20 -0.52 1.25 0.00 -1.30 -0.81 119.26 119.87 3hjg h ALA 62 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hjg h ALA 62 Cb 0.58 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hjg h ALA 62 CO 0.03 0.37 0.34 1.96 0.00 0.00 0.00 179.25 181.95 3hjg h GLN 63 N 1.06 0.68 -0.35 0.00 4.20 -0.93 0.14 115.11 119.91 3hjg h GLN 63 Ca 0.37 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3hjg h GLN 63 Cb 0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3hjg h GLN 63 CO -0.15 0.45 -0.00 0.82 -0.67 0.00 0.00 178.83 179.28 3hjg h ILE 64 N 0.70 1.26 -0.86 2.54 2.04 -0.96 -2.97 117.51 119.25 3hjg h ILE 64 Ca 0.19 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 3hjg h ILE 64 Cb -0.07 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3hjg h ILE 64 CO -0.05 0.33 0.44 -0.07 0.00 0.00 0.00 178.15 178.80 3hjg h LEU 65 N 0.43 1.10 -0.73 1.44 4.07 -0.97 -1.77 115.31 118.88 3hjg h LEU 65 Ca 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 3hjg h LEU 65 Cb 0.46 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3hjg h LEU 65 CO 0.02 0.91 0.33 0.00 -1.08 0.00 0.00 178.44 178.61 3hjg h ALA 66 N 1.24 0.94 -0.01 1.53 0.00 -0.57 -2.58 119.26 119.80 3hjg h ALA 66 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hjg h ALA 66 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hjg h ALA 66 CO -0.04 0.53 -0.30 -0.85 0.00 0.00 0.00 179.25 178.58 3hjg n GLU 67 N -4.39 0.92 0.07 0.00 0.28 -1.14 -0.36 120.64 116.03 3hjg n GLU 67 Ca 0.06 -0.60 -0.14 0.00 -0.16 0.00 0.00 57.16 56.32 3hjg n GLU 67 Cb 0.15 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.47 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 1.47 0.41 0.00 3.44 4.15 -0.94 -3.36 115.11 120.28 3hjg h GLN 68 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3hjg h GLN 68 Cb 0.56 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.39 3hjg h GLN 68 CO 0.00 1.13 -0.07 1.04 -1.93 0.00 0.00 178.83 179.00 3hjg n GLN 69 N -3.73 1.50 -3.46 1.69 6.02 -1.06 -5.04 117.38 113.31 3hjg n GLN 69 Ca -0.07 -1.76 -0.20 0.00 -0.01 0.00 0.00 57.00 54.96 3hjg n GLN 69 Cb 0.86 -1.08 0.03 0.00 1.02 0.00 0.00 30.24 31.08 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 -0.76 -4.26 -4.24 1.08 4.32 -0.64 -5.01 117.00 107.48 3hjg n LEU 70 Ca 0.07 -0.72 -0.27 0.00 -0.02 0.00 0.00 56.01 55.07 3hjg n LEU 70 Cb 0.51 -2.69 -0.15 0.00 -1.62 0.00 0.00 43.42 39.47 3hjg n LEU 70 CO 0.00 -0.00 -0.53 -0.76 -1.22 0.00 0.00 177.39 174.88 3hjg s LEU 71 N -5.45 2.08 0.16 2.23 1.43 0.51 -5.03 118.68 114.62 3hjg s LEU 71 Ca 0.30 -0.43 -0.33 0.00 -1.03 0.00 0.00 54.13 52.63 3hjg s LEU 71 Cb -0.08 -1.07 -0.13 0.00 0.03 0.00 0.00 46.19 44.94 3hjg s LEU 71 CO 0.81 0.23 1.68 -2.65 0.23 0.00 0.00 176.35 176.65 3hjg n PRO 72 N 2.31 2.47 -4.62 1.29 -0.02 -1.26 -4.73 135.00 130.44 3hjg n PRO 72 Ca -0.16 0.89 -0.23 0.00 -2.02 0.00 0.00 63.50 61.98 3hjg n PRO 72 Cb 0.53 -2.71 -0.14 0.00 -0.02 0.00 0.00 33.50 31.15 3hjg n PRO 72 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3hjg s MET 73 N 1.36 1.24 -0.01 -0.52 1.75 -1.26 -0.81 119.30 121.05 3hjg s MET 73 Ca 0.78 -0.75 -0.11 0.00 -1.25 0.00 0.00 55.69 54.36 3hjg s MET 73 Cb -0.59 -1.27 0.01 0.00 2.84 0.00 0.00 34.83 35.83 3hjg s MET 73 CO 0.36 0.33 0.23 0.99 -0.65 0.00 0.00 175.02 176.28 3hjg s THR 74 N -0.65 0.06 0.53 10.11 2.01 -0.63 -4.99 115.64 122.09 3hjg s THR 74 Ca 0.05 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 3hjg s THR 74 Cb -0.08 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.92 3hjg s THR 74 CO 0.01 -0.29 0.80 0.42 -0.69 0.00 0.00 174.62 174.87 3hjg s THR 75 N -1.22 3.86 -0.18 -0.82 -4.23 -1.26 -0.43 115.64 111.35 3hjg s THR 75 Ca -0.13 -0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 3hjg s THR 75 Cb -0.06 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.39 3hjg s THR 75 CO 0.03 -0.43 0.30 -0.70 -0.54 0.00 0.00 174.62 173.27 3hjg s GLU 76 N -4.80 0.22 0.00 3.99 2.12 -0.24 -4.81 118.70 115.19 3hjg s GLU 76 Ca 0.51 0.60 0.17 0.00 0.36 0.00 0.00 54.97 56.61 3hjg s GLU 76 Cb -0.10 -0.39 1.01 0.00 0.26 0.00 0.00 34.13 34.90 3hjg s GLU 76 CO 0.42 -0.46 1.45 -0.25 -0.54 0.00 0.00 175.26 175.89 3hjg n ASP 77 N 5.35 0.00 -0.91 -1.70 9.92 -1.26 -1.43 116.55 126.52 3hjg n ASP 77 Ca -0.06 -0.44 0.12 0.00 -0.53 0.00 0.00 54.79 53.88 3hjg n ASP 77 Cb 0.50 -0.05 0.20 0.00 -0.64 0.00 0.00 41.12 41.12 3hjg n ASP 77 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3hjg n ASP 78 N -1.05 2.81 -1.07 -2.24 9.92 -1.26 -4.28 116.55 119.38 3hjg n ASP 78 Ca 0.12 -1.91 0.02 0.00 -0.53 0.00 0.00 54.79 52.49 3hjg n ASP 78 Cb 0.07 -0.05 0.23 0.00 -0.64 0.00 0.00 41.12 40.73 3hjg n ASP 78 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hjg n LEU 79 N 1.16 4.13 0.00 0.64 4.77 -0.51 -4.35 117.00 122.84 3hjg n LEU 79 Ca 0.16 -3.36 -0.06 0.00 -0.03 0.00 0.00 56.01 52.72 3hjg n LEU 79 Cb 0.55 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3hjg n LEU 79 CO 0.15 0.93 0.15 0.00 -1.33 0.00 0.00 177.39 177.29 3hjg n GLN 80 N -0.80 0.33 -0.61 3.23 6.02 -1.26 -4.47 117.38 119.83 3hjg n GLN 80 Ca 0.28 -0.63 -0.27 0.00 -0.01 0.00 0.00 57.00 56.37 3hjg n GLN 80 Cb 0.99 -0.19 0.24 0.00 1.02 0.00 0.00 30.24 32.31 3hjg n GLN 80 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hjg n GLU 81 N -1.48 -3.66 0.27 -1.09 1.02 -1.26 -4.78 120.64 109.66 3hjg n GLU 81 Ca 0.04 -1.44 0.15 0.00 -0.02 0.00 0.00 57.16 55.89 3hjg n GLU 81 Cb 0.14 -1.56 0.72 0.00 -0.02 0.00 0.00 31.44 30.73 3hjg n GLU 81 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3hjg h MET 82 N 0.00 0.00 -5.32 3.49 -1.53 -1.99 -3.48 114.93 106.11 3hjg h MET 82 Ca -0.36 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 55.88 3hjg h MET 82 Cb 1.15 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.20 3hjg h MET 82 CO 0.23 0.09 -0.62 -3.47 0.14 0.00 0.00 176.91 173.28 3hjg n ASP 83 N -3.32 -7.87 0.00 1.39 2.03 -1.26 -4.08 116.55 103.44 3hjg n ASP 83 Ca -0.01 0.66 0.05 0.00 0.52 0.00 0.00 54.79 56.01 3hjg n ASP 83 Cb 0.28 -5.21 0.23 0.00 -0.72 0.00 0.00 41.12 35.70 3hjg n ASP 83 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3hjg n PHE 84 N -0.12 0.00 0.00 -0.67 3.01 -1.26 -3.30 117.46 115.13 3hjg n PHE 84 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3hjg n PHE 84 Cb 0.39 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.44 2.05 2.82 1.37 0.00 -1.26 -4.69 105.19 105.03 3hjg n GLY 85 Ca 0.03 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 3hjg n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hjg n ASP 86 N 0.00 6.27 -4.94 1.61 2.03 -1.26 -4.95 116.55 115.31 3hjg n ASP 86 Ca 0.00 -3.29 -0.26 0.00 0.52 0.00 0.00 54.79 51.76 3hjg n ASP 86 Cb 0.00 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.02 3hjg n ASP 86 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3hjg s PHE 87 N -1.50 3.46 0.00 -0.67 -0.12 -1.26 -4.95 117.98 112.94 3hjg s PHE 87 Ca 0.39 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 57.36 3hjg s PHE 87 Cb 0.11 -1.65 0.00 0.00 -0.63 0.00 0.00 43.02 40.85 3hjg s PHE 87 CO 0.01 0.51 0.00 -0.25 -0.05 0.00 0.00 175.22 175.44 3hjg n ASP 88 N -0.61 0.00 -0.03 1.98 8.00 -1.26 -5.02 116.55 119.62 3hjg n ASP 88 Ca -0.07 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.38 3hjg n ASP 88 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 3hjg n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hjg n GLY 89 N 2.83 -0.32 3.74 0.44 0.00 -1.26 -5.03 105.19 105.60 3hjg n GLY 89 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3hjg n GLY 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hjg n MET 90 N -4.03 -1.26 0.00 1.61 2.81 -1.26 -0.58 117.12 114.41 3hjg n MET 90 Ca -0.08 0.71 0.00 0.00 -1.81 0.00 0.00 57.70 56.51 3hjg n MET 90 Cb 0.29 -2.94 0.00 0.00 -0.71 0.00 0.00 33.22 29.86 3hjg n MET 90 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3hjg n PRO 91 N -3.09 0.00 -0.77 0.03 -0.02 -1.26 -4.66 135.00 125.24 3hjg n PRO 91 Ca -0.22 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.17 3hjg n PRO 91 Cb 0.64 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.10 3hjg n PRO 91 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3hjg n PHE 92 N 0.00 0.58 -0.08 6.00 0.99 0.25 -4.28 117.46 120.93 3hjg n PHE 92 Ca 0.00 -1.44 -0.15 0.00 -0.00 0.00 0.00 57.45 55.87 3hjg n PHE 92 Cb 0.00 -0.87 -0.05 0.00 -1.00 0.00 0.00 39.48 37.56 3hjg n PHE 92 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 3hjg h ASP 93 N 1.60 0.87 0.00 4.37 1.82 -1.83 -3.37 116.42 119.88 3hjg h ASP 93 Ca 0.15 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 3hjg h ASP 93 Cb 1.03 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.79 3hjg h ASP 93 CO 0.33 1.24 0.00 0.00 -1.61 0.00 0.00 179.24 179.20 3hjg n LEU 94 N -4.11 0.27 0.06 2.28 -0.00 -1.26 -4.77 117.00 109.47 3hjg n LEU 94 Ca -0.05 -0.27 -0.15 0.00 -0.00 0.00 0.00 56.01 55.54 3hjg n LEU 94 Cb 0.58 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.87 3hjg n LEU 94 CO 0.48 0.07 -0.25 0.25 -0.00 0.00 0.00 177.39 177.94 3hjg h LEU 95 N 0.00 0.32 -0.00 1.47 7.12 -1.74 -0.42 115.31 122.05 3hjg h LEU 95 Ca 0.00 -0.42 -0.04 0.00 0.13 0.00 0.00 57.88 57.55 3hjg h LEU 95 Cb 0.34 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 3hjg h LEU 95 CO 0.00 1.35 -0.17 0.00 -0.13 0.00 0.00 178.44 179.49 3hjg h THR 96 N 0.06 0.30 -0.10 1.05 1.03 -1.88 -3.30 112.91 110.06 3hjg h THR 96 Ca -0.20 -1.41 -0.10 0.00 -0.01 0.00 0.00 66.41 64.69 3hjg h THR 96 Cb 1.98 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 71.21 3hjg h THR 96 CO 0.16 0.17 -0.31 -0.33 -0.01 0.00 0.00 175.52 175.20 3hjg h GLU 97 N 0.00 0.39 -1.91 0.00 5.08 -1.80 -3.15 114.58 113.18 3hjg h GLU 97 Ca -0.00 -0.28 -0.52 0.00 -1.00 0.00 0.00 59.36 57.56 3hjg h GLU 97 Cb 1.13 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.24 3hjg h GLU 97 CO 0.02 0.90 0.49 0.72 -1.00 0.00 0.00 179.01 180.14 3hjg n HIS 98 N -4.41 1.80 -3.74 4.33 8.25 -0.17 -4.82 115.22 116.45 3hjg n HIS 98 Ca -0.08 -2.02 -0.23 0.00 -0.26 0.00 0.00 57.72 55.13 3hjg n HIS 98 Cb 0.49 -1.31 -0.18 0.00 1.12 0.00 0.00 29.99 30.11 3hjg n HIS 98 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3hjg s TRP 99 N -2.07 0.56 -0.84 4.41 -0.11 -1.19 -4.94 118.94 114.76 3hjg s TRP 99 Ca 0.55 -0.13 -0.25 0.00 1.22 0.00 0.00 56.10 57.49 3hjg s TRP 99 Cb 0.38 -0.75 0.01 0.00 -1.50 0.00 0.00 33.47 31.61 3hjg s TRP 99 CO -0.21 -0.32 1.55 0.21 -4.62 0.00 0.00 176.95 173.56 3hjg s LYS 100 N 2.01 3.11 -0.07 5.86 2.20 -1.26 -4.92 119.74 126.67 3hjg s LYS 100 Ca 0.05 -0.40 -0.31 0.00 -0.36 0.00 0.00 55.97 54.95 3hjg s LYS 100 Cb -0.13 -4.77 -0.09 0.00 -1.51 0.00 0.00 37.83 31.34 3hjg s LYS 100 CO -0.05 -2.49 2.01 1.63 -0.36 0.00 0.00 175.35 176.09 3hjg n LYS 101 N 9.09 2.38 -3.83 4.03 5.02 -1.26 -2.71 118.16 130.88 3hjg n LYS 101 Ca 0.23 0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 57.06 3hjg n LYS 101 Cb 0.50 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.60 3hjg n LYS 101 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3hjg n LEU 102 N 8.23 -1.32 -0.07 -0.35 -0.00 -1.26 -4.91 117.00 117.32 3hjg n LEU 102 Ca 0.24 -1.02 0.14 0.00 -0.00 0.00 0.00 56.01 55.36 3hjg n LEU 102 Cb 0.37 -1.52 0.56 0.00 -0.00 0.00 0.00 43.42 42.83 3hjg n LEU 102 CO 0.70 0.50 0.82 -0.67 -0.00 0.00 0.00 177.39 178.74 3hjg n ASP 103 N -2.39 0.35 -0.17 1.45 2.03 -1.10 -3.74 116.55 112.97 3hjg n ASP 103 Ca -0.27 -0.26 0.03 0.00 0.52 0.00 0.00 54.79 54.81 3hjg n ASP 103 Cb 0.64 -0.12 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 3hjg n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hjg n ALA 104 N -1.18 2.51 0.06 -1.67 0.00 -1.26 -3.83 120.51 115.13 3hjg n ALA 104 Ca 0.11 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 3hjg n ALA 104 Cb 0.30 -0.17 0.04 0.00 0.00 0.00 0.00 19.45 19.62 3hjg n ALA 104 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hjg h PHE 105 N 0.86 0.49 0.00 0.00 3.57 -1.79 0.02 116.94 120.09 3hjg h PHE 105 Ca 0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 3hjg h PHE 105 Cb 0.20 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3hjg h PHE 105 CO 0.00 0.96 0.00 -1.49 -2.23 0.00 0.00 178.31 175.55 3hjg h TRP 106 N 0.25 0.00 0.00 0.41 6.55 -1.74 -3.38 115.95 118.03 3hjg h TRP 106 Ca -0.03 0.00 -0.38 0.00 0.95 0.00 0.00 58.89 59.43 3hjg h TRP 106 Cb 1.29 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 29.53 3hjg h TRP 106 CO 0.04 0.00 -2.32 0.94 -1.05 0.00 0.00 178.44 176.05 3hjg n GLN 107 N -2.86 0.53 -4.09 0.49 -0.06 -1.19 -4.83 117.38 105.37 3hjg n GLN 107 Ca 0.04 0.19 -0.09 0.00 -2.00 0.00 0.00 57.00 55.14 3hjg n GLN 107 Cb 0.47 -1.39 -0.10 0.00 -4.06 0.00 0.00 30.24 25.16 3hjg n GLN 107 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3hjg s SER 108 N -6.81 0.66 0.02 1.69 1.04 -0.01 -4.77 113.70 105.52 3hjg s SER 108 Ca -0.32 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.11 3hjg s SER 108 Cb 0.11 0.13 -0.07 0.00 0.10 0.00 0.00 66.02 66.29 3hjg s SER 108 CO 0.46 -0.46 1.20 1.55 0.98 0.00 0.00 173.24 176.96 3hjg h PRO 109 N 3.53 -0.45 -1.75 4.02 0.13 -1.81 -3.41 132.00 132.26 3hjg h PRO 109 Ca -0.34 0.03 -0.44 0.00 -0.87 0.00 0.00 66.00 64.38 3hjg h PRO 109 Cb 1.17 0.10 -0.30 0.00 0.13 0.00 0.00 31.00 32.10 3hjg h PRO 109 CO 0.58 -0.30 -0.83 0.00 -0.23 0.00 0.00 178.00 177.23 3hjg n ALA 110 N -2.27 1.15 -0.26 -0.56 0.00 -1.26 -3.93 120.51 113.38 3hjg n ALA 110 Ca -0.06 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 50.95 3hjg n ALA 110 Cb 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3hjg n ALA 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3hjg n HIS 111 N 2.57 0.00 -3.95 0.00 1.44 -1.26 -5.09 115.22 108.93 3hjg n HIS 111 Ca 0.24 -0.14 -0.08 0.00 -2.01 0.00 0.00 57.72 55.72 3hjg n HIS 111 Cb 0.52 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.53 3hjg n HIS 111 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3hjg s HIS 112 N -0.28 0.28 0.23 -1.40 3.76 -1.26 -5.14 115.29 111.48 3hjg s HIS 112 Ca 0.00 -0.73 -0.10 0.00 -0.15 0.00 0.00 55.06 54.08 3hjg s HIS 112 Cb 0.00 -0.18 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 3hjg s HIS 112 CO 0.00 -0.46 0.39 -1.54 -0.85 0.00 0.00 174.74 172.27 3hjg s SER 113 N -2.78 -0.03 -0.65 1.40 1.04 -1.26 -4.91 113.70 106.51 3hjg s SER 113 Ca 0.04 -1.04 0.06 0.00 0.48 0.00 0.00 55.95 55.48 3hjg s SER 113 Cb 0.05 0.53 0.22 0.00 0.10 0.00 0.00 66.02 66.92 3hjg s SER 113 CO -0.10 -1.06 0.64 0.18 0.98 0.00 0.00 173.24 173.88 3hjg n LEU 114 N -0.35 3.24 0.00 2.42 4.32 -1.26 -4.98 117.00 120.39 3hjg n LEU 114 Ca -0.01 -5.30 0.00 0.00 -0.02 0.00 0.00 56.01 50.68 3hjg n LEU 114 Cb 0.63 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3hjg n LEU 114 CO 0.25 1.95 0.00 -2.65 -1.22 0.00 0.00 177.39 175.72 3hjg n PRO 115 N 1.32 0.00 0.00 3.23 -0.02 -1.26 -3.45 135.00 134.82 3hjg n PRO 115 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3hjg n PRO 115 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 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 0.00 0.00 -4.82 2.55 3.02 -1.26 -5.01 115.26 109.74 3hjg n ASN 116 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 3hjg n ASN 116 Cb 0.00 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.27 3hjg n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hjg s ALA 117 N 0.00 4.20 0.00 5.41 0.00 -1.22 -4.10 121.76 126.04 3hjg s ALA 117 Ca 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 51.96 49.86 3hjg s ALA 117 Cb 0.00 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 3hjg s ALA 117 CO 0.00 -1.28 0.29 -1.21 0.00 0.00 0.00 175.76 173.56 3hjg s GLU 118 N -4.97 3.64 0.79 0.00 2.02 -1.21 -4.90 118.70 114.08 3hjg s GLU 118 Ca 0.66 0.02 -0.10 0.00 0.02 0.00 0.00 54.97 55.57 3hjg s GLU 118 Cb -0.05 -3.10 0.10 0.00 0.10 0.00 0.00 34.13 31.18 3hjg s GLU 118 CO 0.43 0.66 1.13 -1.54 0.02 0.00 0.00 175.26 175.96 3hjg s SER 119 N -1.54 4.36 0.29 -0.19 1.04 -1.26 -4.88 113.70 111.52 3hjg s SER 119 Ca 0.26 0.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 3hjg s SER 119 Cb -0.14 -0.96 0.41 0.00 0.10 0.00 0.00 66.02 65.44 3hjg s SER 119 CO 0.14 -1.94 1.95 -0.07 0.98 0.00 0.00 173.24 174.31 3hjg h LEU 120 N -0.96 0.97 -0.94 2.42 4.07 -1.93 -0.93 115.31 118.00 3hjg h LEU 120 Ca -0.45 -0.04 0.04 0.00 0.08 0.00 0.00 57.88 57.52 3hjg h LEU 120 Cb 1.30 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 42.74 3hjg h LEU 120 CO 0.57 0.72 0.61 -1.28 -1.08 0.00 0.00 178.44 177.98 3hjg h SER 121 N 1.13 1.01 -0.02 -0.43 0.87 -1.94 0.71 113.55 114.88 3hjg h SER 121 Ca 0.30 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.76 3hjg h SER 121 Cb -0.10 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3hjg h SER 121 CO -0.06 0.68 -0.38 0.74 -0.53 0.00 0.00 176.83 177.28 3hjg h THR 122 N 1.17 1.47 -0.63 2.23 2.02 -1.85 -3.03 112.91 114.29 3hjg h THR 122 Ca 0.38 -1.92 -0.05 0.00 0.77 0.00 0.00 66.41 65.59 3hjg h THR 122 Cb 0.04 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 3hjg h THR 122 CO -0.13 0.54 0.18 0.15 0.37 0.00 0.00 175.52 176.63 3hjg h PHE 123 N -0.27 1.02 -0.36 3.16 -0.00 -1.00 -1.07 116.94 118.42 3hjg h PHE 123 Ca -0.04 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.97 57.76 3hjg h PHE 123 Cb 1.09 -0.29 -0.01 0.00 -0.00 0.00 0.00 35.95 36.73 3hjg h PHE 123 CO 0.15 0.85 -0.02 0.66 -0.00 0.00 0.00 178.31 179.94 3hjg h SER 124 N 0.91 0.64 -0.52 0.41 4.64 -0.99 -2.64 113.55 116.01 3hjg h SER 124 Ca 0.20 -0.32 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 3hjg h SER 124 Cb 0.31 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3hjg h SER 124 CO -0.00 0.81 0.08 -0.61 -0.87 0.00 0.00 176.83 176.24 3hjg h GLN 125 N 0.46 0.86 0.00 4.77 4.15 -1.37 -0.31 115.11 123.66 3hjg h GLN 125 Ca 0.10 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 3hjg h GLN 125 Cb 0.50 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3hjg h GLN 125 CO 0.02 0.85 -0.36 0.07 -1.93 0.00 0.00 178.83 177.48 3hjg h ARG 126 N 0.74 0.00 0.05 1.69 0.11 -1.22 -1.02 114.38 114.73 3hjg h ARG 126 Ca 0.16 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.16 3hjg h ARG 126 Cb 0.41 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.49 3hjg h ARG 126 CO 0.01 0.36 -0.35 0.28 0.10 0.00 0.00 179.97 180.37 3hjg h VAL 127 N 0.00 1.65 -0.17 0.08 2.07 -1.25 -3.12 116.25 115.51 3hjg h VAL 127 Ca -0.00 -2.40 -0.08 0.00 0.82 0.00 0.00 66.70 65.03 3hjg h VAL 127 Cb 0.85 3.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.88 3hjg h VAL 127 CO 0.05 0.63 -0.26 0.77 0.02 0.00 0.00 177.57 178.78 3hjg h SER 128 N -0.78 0.31 -0.51 0.57 4.64 -1.05 0.18 113.55 116.90 3hjg h SER 128 Ca -0.07 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 3hjg h SER 128 Cb 1.24 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3hjg h SER 128 CO 0.04 0.58 0.16 -0.09 -0.87 0.00 0.00 176.83 176.65 3hjg h ARG 129 N 0.28 0.80 -0.45 4.77 2.43 -1.33 -0.31 114.38 120.57 3hjg h ARG 129 Ca 0.04 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 3hjg h ARG 129 Cb 0.62 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3hjg h ARG 129 CO 0.04 0.74 -0.18 0.00 -1.51 0.00 0.00 179.97 179.07 3hjg h ALA 130 N 1.02 0.84 -0.40 2.80 0.00 -1.36 -2.27 119.26 119.89 3hjg h ALA 130 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hjg h ALA 130 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hjg h ALA 130 CO -0.01 0.64 0.13 2.35 0.00 0.00 0.00 179.25 182.37 3hjg h TRP 131 N 0.77 0.64 -0.50 0.00 2.91 -0.49 -0.30 115.95 118.97 3hjg h TRP 131 Ca 0.11 -0.06 -0.04 0.00 1.13 0.00 0.00 58.89 60.03 3hjg h TRP 131 Cb 0.71 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 3hjg h TRP 131 CO 0.04 0.59 0.15 0.77 -1.03 0.00 0.00 178.44 178.96 3hjg h SER 132 N 0.50 0.68 0.13 2.65 0.02 -1.00 0.02 113.55 116.54 3hjg h SER 132 Ca 0.13 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3hjg h SER 132 Cb 0.25 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hjg h SER 132 CO -0.01 0.65 -0.41 1.56 -1.14 0.00 0.00 176.83 177.48 3hjg h GLN 133 N 0.72 0.36 -0.17 3.45 4.20 -1.16 -2.99 115.11 119.52 3hjg h GLN 133 Ca 0.17 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3hjg h GLN 133 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3hjg h GLN 133 CO -0.01 0.72 -0.29 0.82 -0.67 0.00 0.00 178.83 179.41 3hjg h ILE 134 N 0.30 1.35 0.00 2.54 2.04 -0.12 -2.53 117.51 121.09 3hjg h ILE 134 Ca 0.03 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.37 3hjg h ILE 134 Cb 0.86 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3hjg h ILE 134 CO 0.07 0.46 0.00 0.16 0.00 0.00 0.00 178.15 178.84 3hjg h ILE 135 N 0.13 0.00 0.02 -0.67 3.07 -1.06 -2.33 117.51 116.67 3hjg h ILE 135 Ca 0.01 -0.36 -0.33 0.00 1.55 0.00 0.00 64.86 65.73 3hjg h ILE 135 Cb 0.87 1.20 -0.05 0.00 -0.27 0.00 0.00 36.82 38.57 3hjg h ILE 135 CO 0.06 0.00 -1.99 0.59 -1.05 0.00 0.00 178.15 175.76 3hjg n ASN 136 N -2.41 0.92 0.19 2.16 3.02 -1.13 -4.19 115.26 113.82 3hjg n ASN 136 Ca 0.03 0.23 0.08 0.00 -0.03 0.00 0.00 54.58 54.89 3hjg n ASN 136 Cb 0.30 0.07 0.25 0.00 -0.61 0.00 0.00 39.78 39.78 3hjg n ASN 136 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3hjg h ASP 137 N 0.01 0.00 -2.91 6.41 3.45 -1.31 -3.47 116.42 118.60 3hjg h ASP 137 Ca -0.40 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.52 3hjg h ASP 137 Cb 2.07 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.85 3hjg h ASP 137 CO 0.05 0.28 0.82 -0.51 -1.57 0.00 0.00 179.24 178.31 3hjg s ILE 138 N -3.30 3.44 -0.02 0.35 1.10 -0.89 -5.02 121.20 116.86 3hjg s ILE 138 Ca 0.03 0.93 0.02 0.00 -0.51 0.00 0.00 60.65 61.13 3hjg s ILE 138 Cb 0.08 -3.60 0.00 0.00 0.15 0.00 0.00 42.46 39.10 3hjg s ILE 138 CO 0.68 0.03 -0.07 0.21 -2.11 0.00 0.00 174.94 173.68 3hjg s ASN 139 N 1.67 0.98 0.19 4.50 2.47 -1.26 -5.05 114.94 118.44 3hjg s ASN 139 Ca 0.66 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.79 3hjg s ASN 139 Cb -0.35 -0.25 0.00 0.00 -1.45 0.00 0.00 41.25 39.20 3hjg s ASN 139 CO 0.29 0.05 0.00 -0.67 -3.72 0.00 0.00 177.10 173.04 3hjg n ASP 140 N 3.31 -3.70 -4.84 -4.21 4.64 -1.26 -4.97 116.55 105.51 3hjg n ASP 140 Ca -0.18 0.60 -0.32 0.00 -1.38 0.00 0.00 54.79 53.51 3hjg n ASP 140 Cb 0.55 -1.70 -0.02 0.00 -1.04 0.00 0.00 41.12 38.91 3hjg n ASP 140 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3hjg s ASN 141 N -4.28 6.48 -0.03 1.67 0.01 -1.26 -4.66 114.94 112.87 3hjg s ASN 141 Ca 0.00 1.58 0.00 0.00 -0.71 0.00 0.00 52.86 53.73 3hjg s ASN 141 Cb 0.00 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 39.18 3hjg s ASN 141 CO 0.00 -0.69 0.00 -0.22 -1.51 0.00 0.00 177.10 174.69 3hjg s LEU 142 N -4.27 1.18 -0.21 0.60 2.96 -0.07 -1.32 118.68 117.56 3hjg s LEU 142 Ca 0.59 -0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3hjg s LEU 142 Cb -0.11 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 3hjg s LEU 142 CO 0.35 -0.10 0.08 -0.22 -1.32 0.00 0.00 176.35 175.13 3hjg s LEU 143 N 0.99 3.70 -0.34 -0.68 2.96 -0.66 0.18 118.68 124.83 3hjg s LEU 143 Ca -0.10 -0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3hjg s LEU 143 Cb -0.13 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.66 3hjg s LEU 143 CO -0.02 0.09 0.07 -0.63 -1.32 0.00 0.00 176.35 174.54 3hjg s ILE 144 N 0.90 3.16 -0.38 6.68 1.01 0.68 -0.92 121.20 132.33 3hjg s ILE 144 Ca 0.04 -1.57 -0.23 0.00 0.00 0.00 0.00 60.65 58.90 3hjg s ILE 144 Cb -0.14 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.42 3hjg s ILE 144 CO 0.03 -0.29 0.75 -0.69 0.00 0.00 0.00 174.94 174.74 3hjg s VAL 145 N 1.23 4.75 0.00 2.92 1.01 -0.86 0.05 120.40 129.50 3hjg s VAL 145 Ca -0.01 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3hjg s VAL 145 Cb -0.21 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3hjg s VAL 145 CO -0.02 -0.45 0.00 1.07 0.00 0.00 0.00 175.10 175.70 3hjg n THR 146 N 5.80 0.00 -4.23 3.92 5.66 0.26 -1.36 114.28 124.34 3hjg n THR 146 Ca 0.02 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.75 3hjg n THR 146 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 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 -1.07 2.78 0.29 1.09 3.76 -1.26 -3.00 115.29 117.87 3hjg s HIS 147 Ca 0.00 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 54.73 3hjg s HIS 147 Cb 0.00 -1.36 0.43 0.00 1.11 0.00 0.00 32.58 32.76 3hjg s HIS 147 CO 0.00 0.51 1.94 0.78 -0.85 0.00 0.00 174.74 177.12 3hjg h GLY 148 N 2.83 1.27 0.87 -2.22 0.00 -1.92 -1.65 103.07 102.25 3hjg h GLY 148 Ca -0.47 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.44 3hjg h GLY 148 CO 0.57 0.41 0.31 -1.33 0.00 0.00 0.00 176.54 176.49 3hjg h GLY 149 N 1.15 0.73 0.85 4.60 0.00 -1.96 -2.11 103.07 106.33 3hjg h GLY 149 Ca 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 3hjg h GLY 149 CO -0.09 0.19 -0.02 -2.08 0.00 0.00 0.00 176.54 174.54 3hjg h VAL 150 N 0.61 1.06 -0.81 4.60 2.07 -1.72 -3.08 116.25 118.98 3hjg h VAL 150 Ca 0.21 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3hjg h VAL 150 Cb 0.03 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3hjg h VAL 150 CO -0.10 0.09 0.46 0.40 0.02 0.00 0.00 177.57 178.45 3hjg h ILE 151 N -0.22 0.91 -0.96 4.57 2.04 -1.22 -1.87 117.51 120.76 3hjg h ILE 151 Ca -0.01 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.68 3hjg h ILE 151 Cb 0.19 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.26 3hjg h ILE 151 CO 0.01 0.14 0.62 0.03 0.00 0.00 0.00 178.15 178.95 3hjg h ARG 152 N 0.78 0.98 0.03 2.37 3.08 -1.30 -1.19 114.38 119.13 3hjg h ARG 152 Ca 0.39 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 60.14 3hjg h ARG 152 Cb 0.35 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hjg h ARG 152 CO -0.24 0.65 -1.01 0.82 -1.07 0.00 0.00 179.97 179.11 3hjg h ILE 153 N 1.01 1.39 -0.18 2.04 2.04 -1.31 -1.43 117.51 121.07 3hjg h ILE 153 Ca 0.45 -2.51 0.03 0.00 1.00 0.00 0.00 64.86 63.83 3hjg h ILE 153 Cb 0.37 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 3hjg h ILE 153 CO -0.21 0.75 0.01 0.40 0.00 0.00 0.00 178.15 179.11 3hjg h ILE 154 N 0.23 0.89 -0.77 -0.67 2.04 -1.02 -0.28 117.51 117.92 3hjg h ILE 154 Ca -0.10 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3hjg h ILE 154 Cb 1.67 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 3hjg h ILE 154 CO 0.18 0.01 0.43 -0.07 0.00 0.00 0.00 178.15 178.70 3hjg h LEU 155 N 0.08 0.96 -0.86 1.44 3.38 -1.22 -0.91 115.31 118.16 3hjg h LEU 155 Ca 0.08 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hjg h LEU 155 Cb 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3hjg h LEU 155 CO -0.13 0.77 0.57 0.00 0.09 0.00 0.00 178.44 179.74 3hjg h ALA 156 N 1.22 1.09 -0.06 1.53 0.00 -0.78 0.18 119.26 122.45 3hjg h ALA 156 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hjg h ALA 156 Cb 0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3hjg h ALA 156 CO -0.05 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.93 3hjg h HIS 157 N 1.17 0.15 -0.20 0.00 -0.00 -0.81 -0.01 115.15 115.45 3hjg h HIS 157 Ca 0.32 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.60 3hjg h HIS 157 Cb -0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 3hjg h HIS 157 CO -0.01 0.50 -0.05 0.28 -0.00 0.00 0.00 177.93 178.65 3hjg h VAL 158 N -0.25 1.29 0.00 5.26 2.07 -0.98 -2.74 116.25 120.90 3hjg h VAL 158 Ca 0.01 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3hjg h VAL 158 Cb 0.46 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3hjg h VAL 158 CO 0.01 0.31 0.00 0.18 0.02 0.00 0.00 177.57 178.09 3hjg n LEU 159 N -4.62 0.00 -1.40 2.57 4.77 0.61 -4.90 117.00 114.04 3hjg n LEU 159 Ca -0.05 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 3hjg n LEU 159 Cb 0.28 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3hjg n LEU 159 CO 0.38 -0.02 -0.17 0.61 -1.33 0.00 0.00 177.39 176.87 3hjg n GLY 160 N 0.85 0.98 3.91 -0.72 0.00 -0.88 -5.00 105.19 104.34 3hjg n GLY 160 Ca 0.17 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.65 4.95 -0.04 1.61 -7.23 -0.07 -5.01 120.40 111.96 3hjg s VAL 161 Ca 0.00 0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 3hjg s VAL 161 Cb 0.00 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 3hjg s VAL 161 CO 0.00 -0.68 1.23 -0.62 -0.31 0.00 0.00 175.10 174.72 3hjg s ASP 162 N -3.85 7.03 0.09 4.85 2.15 -1.26 -4.51 116.67 121.17 3hjg s ASP 162 Ca 0.46 1.86 0.27 0.00 0.43 0.00 0.00 52.55 55.57 3hjg s ASP 162 Cb -0.10 -2.56 0.93 0.00 -0.30 0.00 0.00 42.92 40.89 3hjg s ASP 162 CO 0.39 -0.60 1.77 -2.67 -0.17 0.00 0.00 175.17 173.90 3hjg n TRP 163 N 5.15 0.41 0.28 -5.34 4.27 -1.26 -3.14 117.44 117.82 3hjg n TRP 163 Ca 0.11 0.12 0.16 0.00 -3.89 0.00 0.00 57.50 54.00 3hjg n TRP 163 Cb 0.46 -0.66 0.59 0.00 -1.36 0.00 0.00 31.31 30.33 3hjg n TRP 163 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hjg h ARG 164 N 0.00 0.00 -6.25 -2.67 3.08 -1.99 -3.44 114.38 103.11 3hjg h ARG 164 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3hjg h ARG 164 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3hjg h ARG 164 CO 0.00 0.00 1.25 1.21 -1.07 0.00 0.00 179.97 181.36 3hjg s ASN 165 N -5.69 6.25 0.45 7.04 2.47 -1.19 -4.23 114.94 120.05 3hjg s ASN 165 Ca 0.02 2.28 0.25 0.00 0.42 0.00 0.00 52.86 55.83 3hjg s ASN 165 Cb 0.08 -2.53 0.97 0.00 -1.45 0.00 0.00 41.25 38.33 3hjg s ASN 165 CO 0.56 -1.27 1.85 -0.65 -3.72 0.00 0.00 177.10 173.87 3hjg h PRO 166 N 11.44 0.00 0.00 0.43 0.11 -1.86 -3.08 132.00 139.05 3hjg h PRO 166 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3hjg h PRO 166 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hjg h PRO 166 CO 0.96 0.20 -0.31 0.37 -0.21 0.00 0.00 178.00 179.01 3hjg h GLN 167 N 0.00 0.00 0.00 1.05 4.15 -1.90 -2.24 115.11 116.16 3hjg h GLN 167 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hjg h GLN 167 Cb 0.72 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 3hjg h GLN 167 CO 0.03 0.31 -0.04 2.35 -1.93 0.00 0.00 178.83 179.54 3hjg h TRP 168 N 0.00 0.00 0.00 3.99 2.91 -1.91 0.13 115.95 121.08 3hjg h TRP 168 Ca -0.00 0.00 -0.28 0.00 1.13 0.00 0.00 58.89 59.74 3hjg h TRP 168 Cb 0.87 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.46 3hjg h TRP 168 CO 0.00 0.04 -2.04 0.66 -1.03 0.00 0.00 178.44 176.07 3hjg n TYR 169 N -3.61 0.00 0.00 2.65 4.01 -1.13 -3.88 117.16 115.21 3hjg n TYR 169 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 3hjg n TYR 169 Cb 0.14 -0.73 -0.09 0.00 -0.31 0.00 0.00 39.34 38.35 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 -0.01 0.00 7.72 0.87 -1.12 -3.38 113.55 117.63 3hjg h SER 170 Ca -0.41 -0.35 -0.28 0.00 -1.23 0.00 0.00 61.79 59.52 3hjg h SER 170 Cb 1.86 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.77 3hjg h SER 170 CO 0.00 0.35 -2.19 0.35 -0.53 0.00 0.00 176.83 174.81 3hjg n THR 171 N -4.92 1.04 -2.59 2.23 -2.24 0.43 -4.86 114.28 103.37 3hjg n THR 171 Ca -0.08 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.55 3hjg n THR 171 Cb 0.19 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 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 -5.18 3.75 -0.06 3.22 0.20 -1.23 -5.02 118.68 114.37 3hjg s LEU 172 Ca -0.09 0.73 -0.10 0.00 0.69 0.00 0.00 54.13 55.37 3hjg s LEU 172 Cb 0.07 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.23 3hjg s LEU 172 CO 0.76 -1.13 0.26 0.00 -0.29 0.00 0.00 176.35 175.95 3hjg s ALA 173 N 4.24 3.81 -0.20 5.97 0.00 -1.26 -4.70 121.76 129.61 3hjg s ALA 173 Ca 0.48 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 3hjg s ALA 173 Cb -0.10 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.94 3hjg s ALA 173 CO 0.26 0.57 0.04 0.96 0.00 0.00 0.00 175.76 177.59 3hjg s ILE 174 N -1.08 0.48 0.99 0.00 -4.36 -1.26 -4.90 121.20 111.06 3hjg s ILE 174 Ca 0.20 -0.56 -0.15 0.00 -0.26 0.00 0.00 60.65 59.88 3hjg s ILE 174 Cb -0.14 -1.02 0.19 0.00 1.25 0.00 0.00 42.46 42.75 3hjg s ILE 174 CO 0.09 -0.24 1.21 -0.83 0.24 0.00 0.00 174.94 175.41 3hjg s GLY 175 N 1.88 1.66 0.31 6.27 0.00 -1.26 -4.84 107.32 111.33 3hjg s GLY 175 Ca -0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 44.72 43.53 3hjg s GLY 175 CO -0.09 -0.19 1.12 -1.31 0.00 0.00 0.00 173.10 172.63 3hjg s ASN 176 N -4.39 7.10 -1.23 1.64 -0.87 -1.26 -3.32 114.94 112.61 3hjg s ASN 176 Ca 0.69 2.29 -0.07 0.00 -1.57 0.00 0.00 52.86 54.21 3hjg s ASN 176 Cb -0.09 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.50 3hjg s ASN 176 CO 0.53 -0.26 0.74 0.00 -2.57 0.00 0.00 177.10 175.54 3hjg n ALA 177 N 0.92 -2.23 -4.09 0.60 0.00 -0.93 -4.78 120.51 109.99 3hjg n ALA 177 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 3hjg n ALA 177 Cb 0.45 -3.08 -0.16 0.00 0.00 0.00 0.00 19.45 16.66 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 -3.98 3.30 -0.21 0.00 1.04 -1.21 -2.01 113.70 110.64 3hjg s SER 178 Ca 0.20 -0.77 -0.27 0.00 0.48 0.00 0.00 55.95 55.59 3hjg s SER 178 Cb -0.05 -1.43 -0.00 0.00 0.10 0.00 0.00 66.02 64.63 3hjg s SER 178 CO 0.82 -0.05 0.92 -0.69 0.98 0.00 0.00 173.24 175.22 3hjg s VAL 179 N 1.29 4.79 -0.17 5.02 1.01 0.56 -2.59 120.40 130.30 3hjg s VAL 179 Ca 0.02 1.79 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 3hjg s VAL 179 Cb -0.14 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 3hjg s VAL 179 CO -0.11 -0.07 -0.04 0.42 0.00 0.00 0.00 175.10 175.30 3hjg s THR 180 N 2.70 3.77 -0.23 3.92 -4.23 0.38 -1.57 115.64 120.38 3hjg s THR 180 Ca 0.40 -0.39 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 3hjg s THR 180 Cb -0.16 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 3hjg s THR 180 CO 0.09 0.47 0.38 -2.28 -0.54 0.00 0.00 174.62 172.74 3hjg s HIS 181 N 0.69 3.32 -0.14 3.99 2.46 0.68 -1.28 115.29 125.01 3hjg s HIS 181 Ca -0.02 0.53 0.01 0.00 0.47 0.00 0.00 55.06 56.05 3hjg s HIS 181 Cb -0.14 -2.54 0.02 0.00 -0.13 0.00 0.00 32.58 29.79 3hjg s HIS 181 CO 0.02 -0.09 -0.18 0.42 -2.47 0.00 0.00 174.74 172.44 3hjg s ILE 182 N 1.60 1.77 -0.22 0.89 1.01 -0.29 -0.95 121.20 125.01 3hjg s ILE 182 Ca 0.17 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 3hjg s ILE 182 Cb -0.15 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3hjg s ILE 182 CO 0.08 0.49 0.14 0.28 0.00 0.00 0.00 174.94 175.93 3hjg s THR 183 N 1.13 5.26 -0.01 2.92 -1.32 -0.82 -0.34 115.64 122.46 3hjg s THR 183 Ca -0.01 0.14 -0.00 0.00 -1.21 0.00 0.00 61.69 60.61 3hjg s THR 183 Cb -0.14 -3.43 -0.04 0.00 -1.51 0.00 0.00 72.50 67.38 3hjg s THR 183 CO -0.06 0.38 0.07 0.27 -2.21 0.00 0.00 174.62 173.07 3hjg s ILE 184 N 0.82 4.63 -0.07 5.08 -5.25 0.40 -0.89 121.20 125.92 3hjg s ILE 184 Ca 0.07 -0.44 -0.00 0.00 -0.99 0.00 0.00 60.65 59.29 3hjg s ILE 184 Cb -0.13 -3.10 0.02 0.00 2.95 0.00 0.00 42.46 42.20 3hjg s ILE 184 CO 0.02 0.36 -0.04 0.28 -1.79 0.00 0.00 174.94 173.77 3hjg s THR 185 N -1.17 0.64 -0.14 8.37 -1.32 0.56 0.83 115.64 123.41 3hjg s THR 185 Ca 0.22 -0.09 -0.15 0.00 -1.21 0.00 0.00 61.69 60.46 3hjg s THR 185 Cb -0.12 -0.71 -0.05 0.00 -1.51 0.00 0.00 72.50 70.11 3hjg s THR 185 CO 0.13 0.29 0.34 0.27 -2.21 0.00 0.00 174.62 173.44 3hjg s ILE 186 N 1.52 5.27 0.00 5.08 -4.36 -1.11 -1.75 121.20 125.85 3hjg s ILE 186 Ca -0.01 0.66 0.00 0.00 -0.26 0.00 0.00 60.65 61.04 3hjg s ILE 186 Cb -0.13 -3.68 0.00 0.00 1.25 0.00 0.00 42.46 39.90 3hjg s ILE 186 CO -0.04 0.39 0.00 -0.67 0.24 0.00 0.00 174.94 174.86 3hjg n ASP 187 N 3.49 0.00 0.12 4.36 2.03 -1.26 -4.91 116.55 120.37 3hjg n ASP 187 Ca -0.11 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.98 3hjg n ASP 187 Cb 0.52 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 3hjg n ASP 187 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3hjg h ASP 188 N 0.00 0.79 -3.20 1.67 5.19 -2.04 -3.48 116.42 115.35 3hjg h ASP 188 Ca 0.00 -0.79 -0.17 0.00 -0.62 0.00 0.00 57.03 55.46 3hjg h ASP 188 Cb 0.00 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.22 3hjg h ASP 188 CO 0.00 1.60 -0.14 0.00 -3.12 0.00 0.00 179.24 177.58 3hjg n GLN 189 N -3.72 0.86 -3.20 3.56 3.00 -1.26 -5.14 117.38 111.47 3hjg n GLN 189 Ca -0.14 -1.02 -0.39 0.00 -0.01 0.00 0.00 57.00 55.44 3hjg n GLN 189 Cb 1.04 0.55 -0.05 0.00 0.00 0.00 0.00 30.24 31.77 3hjg n GLN 189 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3hjg s ILE 190 N -1.98 5.02 -0.30 5.09 -5.25 -1.26 -4.48 121.20 118.04 3hjg s ILE 190 Ca 0.06 1.21 0.01 0.00 -0.99 0.00 0.00 60.65 60.94 3hjg s ILE 190 Cb 0.00 -3.92 0.09 0.00 2.95 0.00 0.00 42.46 41.58 3hjg s ILE 190 CO 0.04 0.36 0.05 -0.31 -1.79 0.00 0.00 174.94 173.29 3hjg s TYR 191 N 0.24 2.38 -0.12 1.37 1.51 -0.71 -4.98 117.35 117.03 3hjg s TYR 191 Ca 0.31 -2.06 -0.05 0.00 -1.01 0.00 0.00 57.07 54.27 3hjg s TYR 191 Cb -0.17 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 3hjg s TYR 191 CO 0.16 -0.87 0.04 0.00 -1.11 0.00 0.00 175.55 173.77 3hjg s ALA 192 N 1.39 3.41 -0.09 3.71 0.00 -1.26 -0.32 121.76 128.60 3hjg s ALA 192 Ca 0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 3hjg s ALA 192 Cb -0.18 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.26 3hjg s ALA 192 CO -0.16 0.46 -0.06 -1.54 0.00 0.00 0.00 175.76 174.45 3hjg s SER 193 N -0.48 1.85 -0.30 0.00 1.04 -0.06 -4.99 113.70 110.75 3hjg s SER 193 Ca 0.09 -0.23 -0.29 0.00 0.48 0.00 0.00 55.95 56.01 3hjg s SER 193 Cb -0.12 -0.70 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 3hjg s SER 193 CO 0.02 -0.11 1.62 -0.69 0.98 0.00 0.00 173.24 175.06 3hjg s VAL 194 N 1.54 3.68 0.00 5.02 1.01 -1.26 -1.95 120.40 128.44 3hjg s VAL 194 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3hjg s VAL 194 Cb -0.13 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3hjg s VAL 194 CO -0.05 -0.44 0.00 0.54 0.00 0.00 0.00 175.10 175.15 3hjg n ARG 195 N 8.01 0.00 -3.10 2.72 5.12 -0.12 -4.98 116.66 124.30 3hjg n ARG 195 Ca 0.20 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.83 3hjg n ARG 195 Cb 0.46 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.74 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 -1.01 6.44 -0.04 0.55 1.04 -1.22 -4.93 113.70 114.53 3hjg s SER 196 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 3hjg s SER 196 Cb 0.00 -2.21 0.03 0.00 0.10 0.00 0.00 66.02 63.94 3hjg s SER 196 CO 0.00 -0.31 -0.01 -0.51 0.98 0.00 0.00 173.24 173.39 3hjg s ILE 197 N -2.27 0.25 -0.22 -1.02 2.07 -1.26 -0.23 121.20 118.52 3hjg s ILE 197 Ca 0.46 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.77 3hjg s ILE 197 Cb -0.10 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.14 3hjg s ILE 197 CO 0.32 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 3hjg n GLY 198 N 4.25 0.39 3.63 1.50 0.00 -1.23 -4.95 105.19 108.78 3hjg n GLY 198 Ca -0.24 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.10 3.71 0.74 1.61 1.01 -0.61 -4.74 120.40 120.02 3hjg s VAL 199 Ca 0.00 0.80 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 3hjg s VAL 199 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.73 3hjg s VAL 199 CO 0.00 -0.30 1.07 -2.16 0.00 0.00 0.00 175.10 173.72 3hjg s PRO 200 N 4.66 2.07 -0.12 2.72 0.04 -1.26 -0.32 135.00 142.78 3hjg s PRO 200 Ca 0.71 -0.16 -0.02 0.00 0.04 0.00 0.00 61.00 61.57 3hjg s PRO 200 Cb -0.25 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.24 3hjg s PRO 200 CO 0.29 -1.39 0.02 -0.51 0.04 0.00 0.00 177.00 175.45 3hjg s LEU 201 N -5.37 0.80 0.00 -3.56 1.02 -0.85 -4.86 118.68 105.86 3hjg s LEU 201 Ca 0.61 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.38 3hjg s LEU 201 Cb -0.11 -0.50 0.00 0.00 0.02 0.00 0.00 46.19 45.61 3hjg s LEU 201 CO 0.46 -0.24 0.00 0.52 0.02 0.00 0.00 176.35 177.11 3hjg n VAL 202 N 5.11 0.00 1.25 -1.59 0.31 -1.26 -4.91 118.33 117.25 3hjg n VAL 202 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.38 3hjg n VAL 202 Cb 0.49 0.00 0.32 0.00 -0.91 0.00 0.00 33.84 33.74 3hjg n VAL 202 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89