#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hds s ARG 0 N 0.00 3.48 0.24 1.61 0.52 -1.15 -4.89 118.95 118.75 3hds s ARG 0 Ca 0.00 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 3hds s ARG 0 Cb 0.00 -2.92 -0.09 0.00 0.52 0.00 0.00 34.95 32.46 3hds s ARG 0 CO 0.00 0.01 1.32 1.41 0.02 0.00 0.00 175.30 178.06 3hds s MET 1 N 0.93 4.38 -0.13 3.54 -2.45 -1.26 -4.11 119.30 120.20 3hds s MET 1 Ca -0.01 2.12 -0.02 0.00 -1.25 0.00 0.00 55.69 56.53 3hds s MET 1 Cb -0.15 -3.15 -0.02 0.00 1.25 0.00 0.00 34.83 32.76 3hds s MET 1 CO 0.01 -0.24 -0.08 0.42 1.05 0.00 0.00 175.02 176.17 3hds s ILE 2 N -0.24 3.49 -0.04 10.11 1.01 0.20 -4.95 121.20 130.77 3hds s ILE 2 Ca 0.55 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.71 3hds s ILE 2 Cb -0.38 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3hds s ILE 2 CO 0.42 0.52 -0.11 -0.13 0.00 0.00 0.00 174.94 175.64 3hds s ARG 3 N 0.23 1.26 -0.11 2.79 0.52 -1.26 -0.44 118.95 121.93 3hds s ARG 3 Ca -0.05 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 3hds s ARG 3 Cb -0.15 -1.12 0.02 0.00 0.52 0.00 0.00 34.95 34.22 3hds s ARG 3 CO 0.04 0.12 -0.14 0.42 0.02 0.00 0.00 175.30 175.76 3hds s ILE 4 N 0.26 1.43 -0.04 1.52 1.01 -0.46 -1.56 121.20 123.37 3hds s ILE 4 Ca -0.05 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 3hds s ILE 4 Cb -0.11 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 3hds s ILE 4 CO 0.01 0.43 0.01 -0.22 0.00 0.00 0.00 174.94 175.17 3hds s LEU 5 N 1.09 3.58 -0.05 2.97 0.20 -0.26 -1.10 118.68 125.12 3hds s LEU 5 Ca -0.05 0.08 0.03 0.00 0.69 0.00 0.00 54.13 54.88 3hds s LEU 5 Cb -0.14 -1.95 0.00 0.00 -0.43 0.00 0.00 46.19 43.67 3hds s LEU 5 CO -0.03 0.32 -0.13 -0.31 -0.29 0.00 0.00 176.35 175.91 3hds s TYR 6 N -1.01 1.43 -0.13 5.38 2.02 0.89 -0.25 117.35 125.67 3hds s TYR 6 Ca 0.17 -0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 56.24 3hds s TYR 6 Cb -0.11 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 3hds s TYR 6 CO 0.07 -0.19 0.52 -0.51 -1.57 0.00 0.00 175.55 173.87 3hds s LEU 7 N 0.31 4.25 -0.12 -1.29 1.43 -0.25 -1.15 118.68 121.86 3hds s LEU 7 Ca -0.08 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 3hds s LEU 7 Cb -0.12 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3hds s LEU 7 CO 0.02 -0.06 -0.22 -0.76 0.23 0.00 0.00 176.35 175.56 3hds s LEU 8 N 0.91 2.14 -0.13 1.79 1.43 0.07 -1.40 118.68 123.50 3hds s LEU 8 Ca 0.27 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3hds s LEU 8 Cb -0.15 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3hds s LEU 8 CO 0.11 0.12 -0.15 -0.69 0.23 0.00 0.00 176.35 175.97 3hds s VAL 9 N 0.60 2.90 0.74 -1.59 1.01 -0.49 -0.72 120.40 122.86 3hds s VAL 9 Ca -0.12 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3hds s VAL 9 Cb -0.17 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.04 3hds s VAL 9 CO 0.03 0.53 1.08 -1.59 0.00 0.00 0.00 175.10 175.15 3hds s LYS 10 N 0.36 2.52 0.38 2.72 -2.85 -1.26 -0.31 119.74 121.29 3hds s LYS 10 Ca -0.12 1.10 -0.28 0.00 -1.00 0.00 0.00 55.97 55.68 3hds s LYS 10 Cb -0.16 -1.93 -0.10 0.00 -2.06 0.00 0.00 37.83 33.57 3hds s LYS 10 CO 0.06 -1.43 1.40 -2.14 0.10 0.00 0.00 175.35 173.33 3hds s PRO 11 N -4.92 4.11 0.45 1.78 0.02 -1.26 -4.24 135.00 130.94 3hds s PRO 11 Ca 0.60 2.38 0.16 0.00 0.02 0.00 0.00 61.00 64.16 3hds s PRO 11 Cb -0.16 -2.93 1.09 0.00 0.02 0.00 0.00 34.50 32.52 3hds s PRO 11 CO 0.55 -0.45 1.97 1.05 -0.33 0.00 0.00 177.00 179.78 3hds h GLU 12 N 2.99 0.34 0.00 5.54 -0.00 -1.97 -1.66 114.58 119.82 3hds h GLU 12 Ca -0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 3hds h GLU 12 Cb 1.24 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 3hds h GLU 12 CO 0.64 0.23 0.00 -1.13 -0.00 0.00 0.00 179.01 178.74 3hds n SER 13 N -4.46 0.00 -4.66 3.06 3.41 -1.26 -4.77 113.62 104.94 3hds n SER 13 Ca 0.11 0.35 -0.35 0.00 -0.26 0.00 0.00 58.87 58.72 3hds n SER 13 Cb 0.45 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 3hds n SER 13 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3hds s MET 14 N -2.89 3.69 0.72 4.33 -2.45 -0.63 -5.08 119.30 116.99 3hds s MET 14 Ca 0.16 -0.35 -0.14 0.00 -1.25 0.00 0.00 55.69 54.11 3hds s MET 14 Cb 0.17 -3.10 0.03 0.00 1.25 0.00 0.00 34.83 33.19 3hds s MET 14 CO 0.46 0.41 1.15 -1.54 1.05 0.00 0.00 175.02 176.55 3hds s SER 15 N -0.04 4.54 0.27 1.11 1.04 -1.26 -4.78 113.70 114.58 3hds s SER 15 Ca 0.06 2.13 -0.01 0.00 0.48 0.00 0.00 55.95 58.61 3hds s SER 15 Cb -0.12 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 63.92 3hds s SER 15 CO 0.01 -2.02 1.85 0.45 0.98 0.00 0.00 173.24 174.51 3hds h HIS 16 N -0.36 1.15 -0.25 5.02 3.86 -1.97 -0.08 115.15 122.52 3hds h HIS 16 Ca -0.46 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 58.62 3hds h HIS 16 Cb 1.26 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 3hds h HIS 16 CO 0.52 0.51 -0.48 1.49 0.86 0.00 0.00 177.93 180.83 3hds h GLU 17 N 1.05 0.68 -0.60 2.45 4.57 -2.00 -1.22 114.58 119.51 3hds h GLU 17 Ca 0.47 -0.39 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 3hds h GLU 17 Cb 0.36 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 3hds h GLU 17 CO -0.23 1.01 -0.02 0.37 -1.18 0.00 0.00 179.01 178.96 3hds h GLN 18 N 0.54 1.08 -0.46 1.92 5.75 -1.83 -1.95 115.11 120.16 3hds h GLN 18 Ca 0.03 -0.35 0.03 0.00 -0.15 0.00 0.00 58.65 58.20 3hds h GLN 18 Cb 1.03 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.45 3hds h GLN 18 CO 0.10 1.06 0.25 0.35 -2.65 0.00 0.00 178.83 177.94 3hds h PHE 19 N 0.98 0.47 -0.26 3.99 3.57 -0.75 -0.19 116.94 124.75 3hds h PHE 19 Ca 0.17 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3hds h PHE 19 Cb 0.59 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3hds h PHE 19 CO 0.04 0.26 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.24 3hds h ARG 20 N 0.51 0.02 -0.62 1.11 2.43 -0.99 0.06 114.38 116.89 3hds h ARG 20 Ca 0.19 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 3hds h ARG 20 Cb 0.05 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 3hds h ARG 20 CO -0.11 0.01 0.27 0.87 -1.51 0.00 0.00 179.97 179.51 3hds h LYS 21 N 0.02 0.48 -0.05 0.20 1.57 -0.89 -2.04 116.57 115.86 3hds h LYS 21 Ca 0.12 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3hds h LYS 21 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hds h LYS 21 CO -0.25 0.32 -0.46 0.93 -0.57 0.00 0.00 179.45 179.41 3hds h GLU 22 N 0.49 0.11 -0.51 3.15 4.39 -0.58 -0.96 114.58 120.67 3hds h GLU 22 Ca 0.30 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.96 3hds h GLU 22 Cb 0.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 3hds h GLU 22 CO -0.26 0.55 0.32 0.00 -1.16 0.00 0.00 179.01 178.47 3hds h VAL 24 N 0.65 1.20 -0.62 0.00 2.07 -0.87 -1.00 116.25 117.69 3hds h VAL 24 Ca 0.20 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.13 3hds h VAL 24 Cb -0.03 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3hds h VAL 24 CO -0.06 0.23 0.38 0.58 0.02 0.00 0.00 177.57 178.72 3hds h VAL 25 N 0.55 1.08 -0.75 2.57 2.07 -1.02 -0.35 116.25 120.40 3hds h VAL 25 Ca 0.14 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3hds h VAL 25 Cb 0.19 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 3hds h VAL 25 CO -0.01 0.14 0.41 -0.74 0.02 0.00 0.00 177.57 177.38 3hds h HIS 26 N 0.76 1.04 -0.39 1.57 2.76 -0.48 0.09 115.15 120.50 3hds h HIS 26 Ca 0.25 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3hds h HIS 26 Cb 0.01 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 3hds h HIS 26 CO -0.05 0.74 0.23 0.35 -1.30 0.00 0.00 177.93 177.90 3hds h PHE 27 N 1.04 0.52 -0.65 5.26 3.57 -0.74 -2.58 116.94 123.37 3hds h PHE 27 Ca 0.26 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3hds h PHE 27 Cb 0.05 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3hds h PHE 27 CO 0.00 0.38 0.36 1.96 -2.23 0.00 0.00 178.31 178.79 3hds h GLN 28 N 0.51 0.90 -0.10 1.11 4.20 -0.54 -2.38 115.11 118.82 3hds h GLN 28 Ca 0.14 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hds h GLN 28 Cb 0.02 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3hds h GLN 28 CO -0.03 0.68 0.07 0.52 -0.67 0.00 0.00 178.83 179.40 3hds h MET 29 N 0.89 0.09 0.00 1.46 2.86 -0.90 -2.85 114.93 116.48 3hds h MET 29 Ca 0.23 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3hds h MET 29 Cb 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3hds h MET 29 CO -0.04 0.06 0.00 -1.13 1.06 0.00 0.00 176.91 176.87 3hds n SER 30 N -4.52 0.69 -4.69 1.22 3.41 -0.89 -4.80 113.62 104.03 3hds n SER 30 Ca -0.01 0.65 -0.44 0.00 -0.26 0.00 0.00 58.87 58.81 3hds n SER 30 Cb 0.12 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.22 3hds n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hds n ALA 31 N -1.78 2.04 -1.73 7.33 0.00 -1.08 -1.62 120.51 123.67 3hds n ALA 31 Ca 0.03 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 3hds n ALA 31 Cb 0.26 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.24 3hds n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hds n GLY 32 N 3.56 0.92 3.72 0.00 0.00 -1.26 -4.95 105.19 107.17 3hds n GLY 32 Ca 0.16 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3hds n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hds s MET 33 N -3.78 4.22 0.24 1.61 0.00 -0.64 -4.90 119.30 116.04 3hds s MET 33 Ca 0.00 2.35 -0.31 0.00 0.00 0.00 0.00 55.69 57.73 3hds s MET 33 Cb 0.00 -3.16 -0.13 0.00 0.00 0.00 0.00 34.83 31.54 3hds s MET 33 CO 0.00 -0.60 1.43 -2.30 0.00 0.00 0.00 175.02 173.55 3hds n PRO 34 N 3.94 2.11 -0.41 4.11 -0.02 -1.26 -2.25 135.00 141.21 3hds n PRO 34 Ca 0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3hds n PRO 34 Cb 0.39 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3hds n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hds n GLY 35 N 2.17 1.92 3.68 -1.23 0.00 -1.26 -3.81 105.19 106.66 3hds n GLY 35 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3hds n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hds s LEU 36 N 0.00 4.16 -0.03 0.99 2.96 -0.95 -4.35 118.68 121.45 3hds s LEU 36 Ca 0.00 0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 54.05 3hds s LEU 36 Cb 0.00 -2.24 -0.32 0.00 0.50 0.00 0.00 46.19 44.13 3hds s LEU 36 CO 0.00 0.05 0.79 -0.74 -1.32 0.00 0.00 176.35 175.13 3hds h HIS 37 N 7.24 0.78 -2.45 5.38 -0.00 -1.19 -3.45 115.15 121.45 3hds h HIS 37 Ca -0.38 -0.57 -0.09 0.00 -0.00 0.00 0.00 60.37 59.33 3hds h HIS 37 Cb 1.16 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.34 3hds h HIS 37 CO 0.65 1.60 -0.04 0.21 -0.00 0.00 0.00 177.93 180.35 3hds s LYS 38 N -2.56 0.81 -0.02 5.26 2.20 -1.19 -4.99 119.74 119.25 3hds s LYS 38 Ca -0.14 0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 3hds s LYS 38 Cb 0.04 0.38 -0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3hds s LYS 38 CO 0.88 -0.21 -0.11 -0.47 -0.36 0.00 0.00 175.35 175.08 3hds s TYR 39 N -0.78 1.10 -0.01 4.03 5.04 -1.26 -1.55 117.35 123.92 3hds s TYR 39 Ca -0.08 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 3hds s TYR 39 Cb -0.03 -0.74 -0.00 0.00 0.35 0.00 0.00 41.96 41.53 3hds s TYR 39 CO 0.05 -0.07 -0.08 -2.00 -1.34 0.00 0.00 175.55 172.11 3hds s GLU 40 N -0.03 0.66 -0.02 4.97 2.12 -0.56 -5.01 118.70 120.83 3hds s GLU 40 Ca 0.00 -0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.06 3hds s GLU 40 Cb -0.07 -0.64 0.02 0.00 0.26 0.00 0.00 34.13 33.70 3hds s GLU 40 CO 0.00 0.16 -0.01 0.54 -0.54 0.00 0.00 175.26 175.41 3hds s VAL 41 N -0.13 0.19 0.01 3.70 0.11 -1.26 -0.82 120.40 122.19 3hds s VAL 41 Ca 0.02 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3hds s VAL 41 Cb -0.04 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 3hds s VAL 41 CO -0.00 0.11 -0.04 -0.13 -3.33 0.00 0.00 175.10 171.71 3hds s ARG 42 N 0.62 0.35 0.54 1.54 0.52 -0.21 -5.00 118.95 117.31 3hds s ARG 42 Ca -0.06 -0.29 -0.17 0.00 -0.52 0.00 0.00 55.73 54.69 3hds s ARG 42 Cb -0.09 -0.26 -0.06 0.00 0.52 0.00 0.00 34.95 35.06 3hds s ARG 42 CO -0.01 0.06 1.04 -0.51 0.02 0.00 0.00 175.30 175.90 3hds s LEU 43 N -0.47 3.63 -0.35 2.53 1.43 -1.26 -0.33 118.68 123.86 3hds s LEU 43 Ca -0.02 1.81 -0.23 0.00 -1.03 0.00 0.00 54.13 54.66 3hds s LEU 43 Cb -0.04 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.65 3hds s LEU 43 CO -0.00 -0.94 0.79 -0.69 0.23 0.00 0.00 176.35 175.74 3hds s VAL 44 N -2.33 4.74 -0.10 -1.59 1.01 -0.56 -4.82 120.40 116.76 3hds s VAL 44 Ca 0.64 0.98 0.19 0.00 0.00 0.00 0.00 61.98 63.79 3hds s VAL 44 Cb -0.15 -4.20 -0.28 0.00 0.00 0.00 0.00 36.38 31.75 3hds s VAL 44 CO 0.30 -0.39 0.29 0.00 0.00 0.00 0.00 175.10 175.30 3hds n ALA 45 N 6.38 2.23 -3.27 5.51 0.00 -1.26 -4.90 120.51 125.20 3hds n ALA 45 Ca 0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 3hds n ALA 45 Cb 0.48 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 3hds n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hds s GLY 46 N -4.79 -0.23 -0.57 0.00 0.00 -1.26 -5.10 107.32 95.36 3hds s GLY 46 Ca -0.08 0.68 0.06 0.00 0.00 0.00 0.00 44.72 45.37 3hds s GLY 46 CO 0.82 0.49 0.54 0.70 0.00 0.00 0.00 173.10 175.65 3hds n ASN 47 N 1.88 2.00 -4.77 1.64 3.02 -1.26 -5.12 115.26 112.65 3hds n ASN 47 Ca -0.18 -3.01 -0.41 0.00 -0.03 0.00 0.00 54.58 50.95 3hds n ASN 47 Cb 0.57 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 3hds n ASN 47 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hds s PRO 48 N -1.37 4.23 0.00 3.52 0.04 -1.26 -4.93 135.00 135.23 3hds s PRO 48 Ca 0.32 2.32 0.07 0.00 0.04 0.00 0.00 61.00 63.76 3hds s PRO 48 Cb 0.06 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.61 3hds s PRO 48 CO -0.12 -0.33 0.57 0.25 0.04 0.00 0.00 177.00 177.40 3hds n THR 49 N 0.61 0.00 -1.65 1.26 -2.24 -1.26 -4.81 114.28 106.19 3hds n THR 49 Ca 0.01 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 3hds n THR 49 Cb 0.41 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3hds n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hds n ASP 50 N -0.16 8.37 -4.87 3.42 5.68 -1.26 -4.84 116.55 122.90 3hds n ASP 50 Ca 0.03 -2.85 -0.31 0.00 -0.50 0.00 0.00 54.79 51.16 3hds n ASP 50 Cb 0.15 -1.46 -0.05 0.00 -1.14 0.00 0.00 41.12 38.62 3hds n ASP 50 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3hds s THR 51 N 0.56 4.78 0.24 2.12 -4.23 -1.26 -4.99 115.64 112.86 3hds s THR 51 Ca 0.62 0.70 0.03 0.00 -1.18 0.00 0.00 61.69 61.86 3hds s THR 51 Cb 0.18 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 3hds s THR 51 CO -0.08 -0.31 1.58 -0.74 -0.54 0.00 0.00 174.62 174.54 3hds h HIS 52 N 1.88 0.38 -1.99 3.99 2.76 -2.03 -3.45 115.15 116.69 3hds h HIS 52 Ca -0.47 -0.13 -0.57 0.00 -2.20 0.00 0.00 60.37 56.99 3hds h HIS 52 Cb 1.18 -0.07 -0.10 0.00 1.55 0.00 0.00 27.41 29.97 3hds h HIS 52 CO 0.61 0.78 -0.61 0.14 -1.30 0.00 0.00 177.93 177.55 3hds s VAL 53 N -3.90 2.91 0.10 5.26 -7.23 -1.26 -5.06 120.40 111.22 3hds s VAL 53 Ca -0.05 -1.91 -0.35 0.00 -1.81 0.00 0.00 61.98 57.86 3hds s VAL 53 Cb 0.12 -2.83 -0.18 0.00 0.56 0.00 0.00 36.38 34.06 3hds s VAL 53 CO 0.80 -0.25 1.03 -2.65 -0.31 0.00 0.00 175.10 173.73 3hds n PRO 54 N -0.97 0.49 -2.48 4.82 -0.02 -1.26 -4.92 135.00 130.66 3hds n PRO 54 Ca -0.04 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3hds n PRO 54 Cb 0.61 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 3hds n PRO 54 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hds s TYR 55 N -0.17 3.52 -0.35 6.00 5.04 -1.26 -5.04 117.35 125.09 3hds s TYR 55 Ca 0.80 1.47 -0.12 0.00 -2.44 0.00 0.00 57.07 56.78 3hds s TYR 55 Cb -1.04 -3.34 -0.00 0.00 0.35 0.00 0.00 41.96 37.93 3hds s TYR 55 CO 0.54 -0.88 0.22 -1.17 -1.34 0.00 0.00 175.55 172.92 3hds s LEU 56 N 0.28 4.55 -0.27 6.97 2.96 -1.26 -5.06 118.68 126.84 3hds s LEU 56 Ca 0.53 -0.63 -0.21 0.00 -0.22 0.00 0.00 54.13 53.61 3hds s LEU 56 Cb -0.29 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3hds s LEU 56 CO 0.32 -0.29 0.66 -0.62 -1.32 0.00 0.00 176.35 175.11 3hds s ASP 57 N 1.66 6.59 -0.14 3.68 2.15 -1.26 -4.89 116.67 124.46 3hds s ASP 57 Ca 0.05 0.67 0.16 0.00 0.43 0.00 0.00 52.55 53.85 3hds s ASP 57 Cb -0.18 -2.35 0.40 0.00 -0.30 0.00 0.00 42.92 40.49 3hds s ASP 57 CO 0.09 -0.44 1.29 1.33 -0.17 0.00 0.00 175.17 177.28 3hds n VAL 58 N 5.28 1.96 -4.33 1.11 0.24 -1.26 -5.11 118.33 116.23 3hds n VAL 58 Ca 0.00 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.44 3hds n VAL 58 Cb 0.49 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 3hds n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hds n GLY 59 N -0.71 -1.30 3.61 7.63 0.00 -1.26 -4.79 105.19 108.37 3hds n GLY 59 Ca 0.17 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3hds n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hds s ARG 60 N 0.00 3.99 -0.14 1.61 3.52 -1.26 -5.04 118.95 121.62 3hds s ARG 60 Ca 0.00 0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 56.04 3hds s ARG 60 Cb 0.00 -3.70 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 3hds s ARG 60 CO 0.00 -0.55 -0.04 0.42 -0.81 0.00 0.00 175.30 174.32 3hds s ILE 61 N 2.68 3.88 -0.13 4.11 -1.09 -1.26 -4.84 121.20 124.55 3hds s ILE 61 Ca 0.28 -0.37 0.16 0.00 -2.23 0.00 0.00 60.65 58.48 3hds s ILE 61 Cb -0.15 -2.68 -0.24 0.00 -1.58 0.00 0.00 42.46 37.81 3hds s ILE 61 CO 0.11 0.51 0.38 0.47 -1.23 0.00 0.00 174.94 175.18 3hds n ASP 62 N 3.27 0.41 -3.73 3.58 8.00 0.10 -4.67 116.55 123.52 3hds n ASP 62 Ca -0.18 0.19 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 3hds n ASP 62 Cb 0.53 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 42.15 3hds n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hds s ALA 63 N -2.61 -1.03 -0.08 2.24 0.00 -0.74 -1.50 121.76 118.05 3hds s ALA 63 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3hds s ALA 63 Cb 0.07 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.07 3hds s ALA 63 CO 0.83 -0.83 -0.15 0.42 0.00 0.00 0.00 175.76 176.03 3hds s ILE 64 N -3.87 1.34 0.19 0.00 -1.09 0.55 -0.75 121.20 117.57 3hds s ILE 64 Ca 0.09 -0.59 0.09 0.00 -2.23 0.00 0.00 60.65 58.01 3hds s ILE 64 Cb -0.02 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.61 3hds s ILE 64 CO -0.02 0.40 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.16 3hds s GLY 65 N 0.66 1.73 -0.14 6.18 0.00 -0.30 -1.04 107.32 114.40 3hds s GLY 65 Ca -0.14 -1.51 -0.11 0.00 0.00 0.00 0.00 44.72 42.95 3hds s GLY 65 CO 0.04 -1.54 0.36 1.85 0.00 0.00 0.00 173.10 173.81 3hds s GLU 66 N -2.90 0.40 -0.05 2.90 2.12 -0.00 -0.08 118.70 121.09 3hds s GLU 66 Ca 0.25 0.56 0.06 0.00 0.36 0.00 0.00 54.97 56.20 3hds s GLU 66 Cb -0.08 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 3hds s GLU 66 CO 0.15 -0.08 -0.22 0.00 -0.54 0.00 0.00 175.26 174.57 3hds s TRP 68 N -0.33 2.82 -0.05 0.00 0.51 -0.59 -1.36 118.94 119.93 3hds s TRP 68 Ca 0.02 -0.22 0.03 0.00 -2.12 0.00 0.00 56.10 53.81 3hds s TRP 68 Cb -0.12 -1.72 0.01 0.00 -0.81 0.00 0.00 33.47 30.82 3hds s TRP 68 CO 0.02 0.13 -0.13 -0.06 -0.51 0.00 0.00 176.95 176.41 3hds s PHE 69 N -0.45 1.40 -0.53 -1.98 0.08 0.42 -0.61 117.98 116.31 3hds s PHE 69 Ca 0.06 -0.45 0.26 0.00 0.12 0.00 0.00 56.93 56.91 3hds s PHE 69 Cb -0.12 -1.00 0.89 0.00 -0.57 0.00 0.00 43.02 42.22 3hds s PHE 69 CO 0.02 -0.21 1.76 0.00 -0.10 0.00 0.00 175.22 176.69 3hds h ALA 70 N 6.66 1.00 -2.45 5.36 0.00 -1.86 0.58 119.26 128.55 3hds h ALA 70 Ca -0.32 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.73 3hds h ALA 70 Cb 1.18 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3hds h ALA 70 CO 0.48 0.00 0.44 -1.54 0.00 0.00 0.00 179.25 178.63 3hds s SER 71 N -4.65 -0.25 0.32 0.00 1.04 -1.26 -2.93 113.70 105.97 3hds s SER 71 Ca 0.07 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.19 3hds s SER 71 Cb 0.10 0.50 0.54 0.00 0.10 0.00 0.00 66.02 67.27 3hds s SER 71 CO 0.51 -0.90 1.96 -0.33 0.98 0.00 0.00 173.24 175.46 3hds h GLU 72 N 2.00 0.97 -0.32 4.02 5.08 -1.90 -1.91 114.58 122.52 3hds h GLU 72 Ca -0.24 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3hds h GLU 72 Cb 1.24 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3hds h GLU 72 CO 0.27 0.64 0.12 0.93 -1.00 0.00 0.00 179.01 179.97 3hds h GLU 73 N 1.00 0.49 -0.97 2.33 3.07 -1.98 -1.15 114.58 117.36 3hds h GLU 73 Ca 0.31 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3hds h GLU 73 Cb 0.02 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.80 3hds h GLU 73 CO -0.09 0.50 0.61 1.96 -1.40 0.00 0.00 179.01 180.59 3hds h GLN 74 N 0.37 1.29 -0.73 2.33 1.08 -1.77 -1.00 115.11 116.69 3hds h GLN 74 Ca 0.11 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3hds h GLN 74 Cb 0.20 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 3hds h GLN 74 CO -0.01 0.88 0.46 -0.92 -0.95 0.00 0.00 178.83 178.29 3hds h TYR 75 N 1.32 0.94 -0.56 2.96 3.20 -1.10 -0.83 116.97 122.90 3hds h TYR 75 Ca 0.35 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 3hds h TYR 75 Cb -0.11 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.82 3hds h TYR 75 CO 0.00 0.62 0.30 0.37 -1.64 0.00 0.00 178.16 177.80 3hds h GLN 76 N 0.99 0.80 -0.61 1.82 4.15 -0.57 -1.17 115.11 120.51 3hds h GLN 76 Ca 0.26 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.61 3hds h GLN 76 Cb -0.07 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.43 3hds h GLN 76 CO -0.05 0.63 0.37 0.28 -1.93 0.00 0.00 178.83 178.12 3hds h VAL 77 N 0.76 1.06 -0.32 2.39 2.07 -0.81 -0.99 116.25 120.41 3hds h VAL 77 Ca 0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hds h VAL 77 Cb 0.07 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3hds h VAL 77 CO -0.03 0.13 0.21 0.22 0.02 0.00 0.00 177.57 178.12 3hds h TYR 78 N 0.73 0.41 0.00 1.57 3.20 -0.95 -2.54 116.97 119.39 3hds h TYR 78 Ca 0.25 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3hds h TYR 78 Cb 0.04 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3hds h TYR 78 CO -0.06 0.26 -0.30 0.52 -1.64 0.00 0.00 178.16 176.94 3hds h MET 79 N 0.43 0.00 0.00 1.82 2.86 -0.71 -2.37 114.93 116.96 3hds h MET 79 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3hds h MET 79 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3hds h MET 79 CO -0.02 0.30 0.00 0.93 1.06 0.00 0.00 176.91 179.18 3hds h GLU 80 N 0.00 0.00 -6.56 1.72 5.08 -0.86 -3.48 114.58 110.48 3hds h GLU 80 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3hds h GLU 80 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hds h GLU 80 CO 0.04 0.00 0.51 0.45 -1.00 0.00 0.00 179.01 179.01 3hds s SER 81 N -4.95 7.18 0.23 1.42 0.15 -0.89 -4.95 113.70 111.89 3hds s SER 81 Ca 0.07 2.03 -0.05 0.00 0.70 0.00 0.00 55.95 58.70 3hds s SER 81 Cb 0.10 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 62.04 3hds s SER 81 CO 0.56 -0.35 1.73 0.44 1.20 0.00 0.00 173.24 176.83 3hds h ASP 82 N 6.02 0.93 -0.02 5.45 3.32 -1.92 -1.94 116.42 128.27 3hds h ASP 82 Ca -0.43 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.31 3hds h ASP 82 Cb 1.21 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3hds h ASP 82 CO 0.77 0.94 -0.27 -0.29 -1.72 0.00 0.00 179.24 178.67 3hds h ILE 83 N 0.92 1.27 -0.65 0.35 6.09 -1.96 -1.32 117.51 122.20 3hds h ILE 83 Ca 0.18 -1.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.39 3hds h ILE 83 Cb 0.42 1.39 -0.03 0.00 0.47 0.00 0.00 36.82 39.07 3hds h ILE 83 CO 0.01 0.40 0.41 -0.09 -3.07 0.00 0.00 178.15 175.82 3hds h ARG 84 N 0.39 0.88 -0.93 2.19 2.43 -1.79 0.11 114.38 117.66 3hds h ARG 84 Ca 0.06 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3hds h ARG 84 Cb 0.68 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 3hds h ARG 84 CO 0.05 0.61 0.54 0.87 -1.51 0.00 0.00 179.97 180.53 3hds h LYS 85 N 0.89 1.28 -0.41 0.20 1.57 -0.89 0.34 116.57 119.55 3hds h LYS 85 Ca 0.24 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3hds h LYS 85 Cb -0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3hds h LYS 85 CO -0.05 0.91 -0.21 0.00 -0.57 0.00 0.00 179.45 179.53 3hds h ALA 86 N 1.29 0.87 -0.55 3.86 0.00 -0.88 -2.13 119.26 121.71 3hds h ALA 86 Ca 0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hds h ALA 86 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hds h ALA 86 CO -0.06 0.63 0.31 2.35 0.00 0.00 0.00 179.25 182.48 3hds h TRP 87 N 0.70 0.76 -0.02 0.00 7.01 0.09 -1.69 115.95 122.80 3hds h TRP 87 Ca 0.10 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 3hds h TRP 87 Cb 0.73 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3hds h TRP 87 CO 0.04 0.55 -0.15 0.74 -2.79 0.00 0.00 178.44 176.83 3hds h PHE 88 N 0.75 0.02 -0.71 2.65 -1.00 -0.63 -1.44 116.94 116.58 3hds h PHE 88 Ca 0.20 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.90 3hds h PHE 88 Cb 0.04 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 3hds h PHE 88 CO -0.01 0.18 0.17 0.93 -1.61 0.00 0.00 178.31 177.96 3hds h GLU 89 N 0.02 1.14 -0.89 1.51 4.39 -0.66 -1.27 114.58 118.81 3hds h GLU 89 Ca 0.00 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.44 3hds h GLU 89 Cb 0.29 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 3hds h GLU 89 CO 0.02 1.01 0.59 1.25 -1.16 0.00 0.00 179.01 180.72 3hds h HIS 90 N 1.08 1.11 -0.92 4.33 2.76 -0.84 -2.38 115.15 120.29 3hds h HIS 90 Ca 0.22 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.53 3hds h HIS 90 Cb 0.38 -0.37 -0.08 0.00 1.55 0.00 0.00 27.41 28.89 3hds h HIS 90 CO 0.03 0.68 0.56 0.78 -1.30 0.00 0.00 177.93 178.68 3hds h GLY 91 N 1.18 1.47 2.00 5.26 0.00 -0.38 -1.33 103.07 111.27 3hds h GLY 91 Ca 0.34 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3hds h GLY 91 CO -0.08 0.15 -0.14 0.50 0.00 0.00 0.00 176.54 176.97 3hds h LYS 92 N 0.90 0.00 -0.11 4.80 1.57 -0.74 0.25 116.57 123.24 3hds h LYS 92 Ca 0.45 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.02 3hds h LYS 92 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.75 3hds h LYS 92 CO -0.26 0.14 -0.74 -0.92 -0.57 0.00 0.00 179.45 177.11 3hds h TYR 93 N 0.00 0.96 -0.01 -1.35 3.20 -1.09 -3.39 116.97 115.30 3hds h TYR 93 Ca -0.00 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3hds h TYR 93 Cb 0.25 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3hds h TYR 93 CO 0.00 1.26 -0.13 1.97 -1.64 0.00 0.00 178.16 179.62 3hds n PHE 94 N -4.02 0.00 -3.94 -3.82 1.16 -1.07 -4.88 117.46 100.90 3hds n PHE 94 Ca -0.08 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.15 3hds n PHE 94 Cb 0.72 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.45 3hds n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hds s ILE 95 N -1.18 3.04 0.05 1.97 1.01 0.05 -4.19 121.20 121.95 3hds s ILE 95 Ca 0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 3hds s ILE 95 Cb 0.08 -2.47 -0.28 0.00 0.01 0.00 0.00 42.46 39.80 3hds s ILE 95 CO 0.21 0.30 1.02 1.23 0.00 0.00 0.00 174.94 177.69 3hds h GLY 96 N 8.06 0.28 -4.61 6.18 0.00 -0.84 -3.44 103.07 108.70 3hds h GLY 96 Ca -0.37 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.14 3hds h GLY 96 CO 0.59 0.63 -0.15 1.20 0.00 0.00 0.00 176.54 178.81 3hds s GLN 97 N -2.64 0.71 0.10 4.80 -0.21 -0.95 -4.91 119.66 116.56 3hds s GLN 97 Ca -0.06 0.14 -0.10 0.00 0.02 0.00 0.00 55.36 55.36 3hds s GLN 97 Cb 0.07 0.33 0.01 0.00 1.00 0.00 0.00 33.01 34.41 3hds s GLN 97 CO 0.87 -0.18 0.24 -0.48 -2.12 0.00 0.00 175.29 173.62 3hds s LEU 98 N -0.84 1.16 -0.20 2.90 -0.00 -1.26 -1.39 118.68 119.05 3hds s LEU 98 Ca -0.09 -0.60 0.01 0.00 -0.00 0.00 0.00 54.13 53.45 3hds s LEU 98 Cb -0.04 1.23 0.05 0.00 -0.00 0.00 0.00 46.19 47.43 3hds s LEU 98 CO 0.04 -0.77 -0.09 -0.75 -0.00 0.00 0.00 176.35 174.78 3hds s LYS 99 N -3.86 1.94 0.11 1.48 2.47 -0.49 -4.97 119.74 116.42 3hds s LYS 99 Ca 0.06 -0.85 -0.19 0.00 -1.56 0.00 0.00 55.97 53.42 3hds s LYS 99 Cb 0.04 -2.42 -0.07 0.00 -1.46 0.00 0.00 37.83 33.92 3hds s LYS 99 CO -0.10 -0.45 0.60 -2.14 0.16 0.00 0.00 175.35 173.42 3hds s PRO 100 N 1.40 4.21 -0.18 4.03 0.02 -1.26 -1.09 135.00 142.14 3hds s PRO 100 Ca -0.02 0.76 0.01 0.00 0.02 0.00 0.00 61.00 61.77 3hds s PRO 100 Cb -0.17 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.22 3hds s PRO 100 CO -0.08 0.59 -0.14 -0.06 -0.33 0.00 0.00 177.00 176.97 3hds s PHE 101 N -1.21 2.51 -0.15 6.54 0.08 0.65 -4.99 117.98 121.41 3hds s PHE 101 Ca 0.32 -1.55 -0.28 0.00 0.12 0.00 0.00 56.93 55.55 3hds s PHE 101 Cb -0.19 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3hds s PHE 101 CO 0.20 -0.75 0.94 0.08 -0.10 0.00 0.00 175.22 175.59 3hds s VAL 102 N 1.37 4.81 0.30 -0.44 1.01 -1.26 -1.10 120.40 125.09 3hds s VAL 102 Ca 0.02 1.87 0.07 0.00 0.00 0.00 0.00 61.98 63.93 3hds s VAL 102 Cb -0.14 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3hds s VAL 102 CO -0.10 -0.01 0.30 0.42 0.00 0.00 0.00 175.10 175.71 3hds s THR 103 N 2.23 4.07 -0.05 3.92 -4.23 -0.60 -5.01 115.64 115.96 3hds s THR 103 Ca 0.43 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.70 3hds s THR 103 Cb -0.17 -3.35 -0.00 0.00 1.34 0.00 0.00 72.50 70.31 3hds s THR 103 CO 0.14 -0.24 -0.18 -0.70 -0.54 0.00 0.00 174.62 173.10 3hds s GLU 104 N -3.98 1.96 0.38 3.99 2.12 -1.26 -4.54 118.70 117.38 3hds s GLU 104 Ca 0.38 -0.63 -0.25 0.00 0.36 0.00 0.00 54.97 54.84 3hds s GLU 104 Cb -0.07 -1.65 -0.09 0.00 0.26 0.00 0.00 34.13 32.57 3hds s GLU 104 CO 0.27 0.21 1.07 -1.21 -0.54 0.00 0.00 175.26 175.06 3hds s GLU 105 N 0.15 4.22 -0.02 4.30 0.41 -1.26 -4.96 118.70 121.54 3hds s GLU 105 Ca -0.07 1.59 0.09 0.00 -0.41 0.00 0.00 54.97 56.17 3hds s GLU 105 Cb -0.13 -2.65 -0.14 0.00 -1.78 0.00 0.00 34.13 29.43 3hds s GLU 105 CO 0.03 -0.11 0.18 1.28 -0.49 0.00 0.00 175.26 176.16 3hds n LEU 106 N 0.13 0.00 0.00 1.80 4.77 -1.26 -5.25 117.00 117.19 3hds n LEU 106 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3hds n LEU 106 Cb 0.49 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3hds n LEU 106 CO 0.47 0.03 0.02 1.33 -1.33 0.00 0.00 177.39 177.90