#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hds n ARG 0 N 0.00 1.58 -1.77 1.61 1.74 -1.26 -4.98 116.66 113.58 3hds n ARG 0 Ca 0.00 -0.86 -0.42 0.00 -0.77 0.00 0.00 57.85 55.79 3hds n ARG 0 Cb 0.00 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3hds n ARG 0 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3hds s MET 1 N -1.84 4.15 -0.16 5.56 1.75 -1.25 -4.08 119.30 123.44 3hds s MET 1 Ca 0.31 2.53 -0.07 0.00 -1.25 0.00 0.00 55.69 57.21 3hds s MET 1 Cb 0.16 -3.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.17 3hds s MET 1 CO 0.25 -0.82 0.08 0.42 -0.65 0.00 0.00 175.02 174.30 3hds s ILE 2 N 2.81 4.96 -0.04 10.11 1.01 0.58 -4.96 121.20 135.67 3hds s ILE 2 Ca 0.79 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.49 3hds s ILE 2 Cb -0.44 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3hds s ILE 2 CO 0.36 0.51 -0.13 -0.13 0.00 0.00 0.00 174.94 175.55 3hds s ARG 3 N -0.09 1.45 -0.12 2.79 0.52 -1.26 -0.48 118.95 121.76 3hds s ARG 3 Ca 0.08 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 3hds s ARG 3 Cb -0.12 -1.27 0.02 0.00 0.52 0.00 0.00 34.95 34.10 3hds s ARG 3 CO 0.01 0.14 -0.13 0.42 0.02 0.00 0.00 175.30 175.76 3hds s ILE 4 N 0.26 1.36 -0.11 1.52 1.01 -0.45 -1.39 121.20 123.41 3hds s ILE 4 Ca -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 3hds s ILE 4 Cb -0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3hds s ILE 4 CO 0.02 0.42 0.04 -0.22 0.00 0.00 0.00 174.94 175.20 3hds s LEU 5 N 1.28 3.78 -0.08 2.97 0.20 -0.19 -1.05 118.68 125.59 3hds s LEU 5 Ca -0.01 0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.04 3hds s LEU 5 Cb -0.14 -1.89 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 3hds s LEU 5 CO -0.05 0.35 -0.18 -0.31 -0.29 0.00 0.00 176.35 175.87 3hds s TYR 6 N -0.72 2.02 -0.18 5.38 2.02 0.66 -0.07 117.35 126.46 3hds s TYR 6 Ca 0.12 -0.79 -0.20 0.00 -0.37 0.00 0.00 57.07 55.83 3hds s TYR 6 Cb -0.12 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 3hds s TYR 6 CO 0.02 -0.34 0.58 -0.51 -1.57 0.00 0.00 175.55 173.74 3hds s LEU 7 N 0.47 4.17 -0.15 -1.29 1.43 -0.06 -1.18 118.68 122.07 3hds s LEU 7 Ca -0.16 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 3hds s LEU 7 Cb -0.17 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 3hds s LEU 7 CO 0.06 -0.21 -0.07 -0.76 0.23 0.00 0.00 176.35 175.60 3hds s LEU 8 N 1.63 3.02 -0.10 1.79 1.43 -0.05 -1.48 118.68 124.92 3hds s LEU 8 Ca 0.27 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3hds s LEU 8 Cb -0.16 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3hds s LEU 8 CO 0.11 0.15 -0.12 -0.69 0.23 0.00 0.00 176.35 176.03 3hds s VAL 9 N 0.46 3.22 0.65 -1.59 1.01 -0.22 -0.58 120.40 123.35 3hds s VAL 9 Ca -0.06 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 3hds s VAL 9 Cb -0.15 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3hds s VAL 9 CO 0.04 0.55 1.08 -1.59 0.00 0.00 0.00 175.10 175.17 3hds s LYS 10 N -0.08 2.98 0.56 2.72 -2.85 -1.26 -0.16 119.74 121.65 3hds s LYS 10 Ca -0.01 1.22 -0.21 0.00 -1.00 0.00 0.00 55.97 55.97 3hds s LYS 10 Cb -0.14 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.60 3hds s LYS 10 CO 0.03 -1.09 1.28 -2.14 0.10 0.00 0.00 175.35 173.54 3hds s PRO 11 N -4.32 3.11 0.54 1.78 0.02 -1.26 -4.18 135.00 130.70 3hds s PRO 11 Ca 0.63 2.04 0.35 0.00 0.02 0.00 0.00 61.00 64.05 3hds s PRO 11 Cb -0.17 -2.15 1.63 0.00 0.02 0.00 0.00 34.50 33.83 3hds s PRO 11 CO 0.43 -1.15 2.05 0.93 -0.33 0.00 0.00 177.00 178.93 3hds h GLU 12 N 1.29 0.00 -0.00 5.54 4.39 -1.97 -2.17 114.58 121.66 3hds h GLU 12 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3hds h GLU 12 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3hds h GLU 12 CO 0.57 0.00 -0.00 -1.13 -1.16 0.00 0.00 179.01 177.28 3hds n SER 13 N -2.94 0.03 -4.31 1.42 3.41 -1.26 -4.83 113.62 105.13 3hds n SER 13 Ca -0.00 -0.84 -0.30 0.00 -0.26 0.00 0.00 58.87 57.46 3hds n SER 13 Cb 0.21 -0.05 -0.16 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.11 2.01 0.80 4.33 -2.45 -0.82 -5.14 119.30 115.92 3hds s MET 14 Ca 0.44 -0.94 -0.12 0.00 -1.25 0.00 0.00 55.69 53.82 3hds s MET 14 Cb 0.22 -1.98 0.07 0.00 1.25 0.00 0.00 34.83 34.39 3hds s MET 14 CO 0.39 0.54 1.11 -1.54 1.05 0.00 0.00 175.02 176.56 3hds s SER 15 N -0.70 4.50 0.29 1.11 1.04 -1.26 -4.82 113.70 113.86 3hds s SER 15 Ca 0.10 1.22 -0.01 0.00 0.48 0.00 0.00 55.95 57.74 3hds s SER 15 Cb -0.10 -1.93 0.47 0.00 0.10 0.00 0.00 66.02 64.56 3hds s SER 15 CO -0.00 -1.95 1.93 0.45 0.98 0.00 0.00 173.24 174.65 3hds h HIS 16 N -1.08 1.07 -0.37 5.02 3.86 -1.99 -1.55 115.15 120.10 3hds h HIS 16 Ca -0.47 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 58.63 3hds h HIS 16 Cb 1.28 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 3hds h HIS 16 CO 0.44 0.61 -0.30 1.49 0.86 0.00 0.00 177.93 181.04 3hds h GLU 17 N 1.10 0.86 -0.75 2.45 4.57 -2.00 -1.09 114.58 119.72 3hds h GLU 17 Ca 0.36 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 3hds h GLU 17 Cb 0.05 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 3hds h GLU 17 CO -0.11 1.07 0.31 0.37 -1.18 0.00 0.00 179.01 179.47 3hds h GLN 18 N 0.66 1.12 -0.58 1.92 5.75 -1.90 -1.99 115.11 120.10 3hds h GLN 18 Ca 0.07 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3hds h GLN 18 Cb 0.87 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 3hds h GLN 18 CO 0.08 0.91 0.37 0.35 -2.65 0.00 0.00 178.83 177.88 3hds h PHE 19 N 1.08 0.74 -0.56 3.99 3.57 -1.07 -0.77 116.94 123.91 3hds h PHE 19 Ca 0.25 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3hds h PHE 19 Cb 0.20 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3hds h PHE 19 CO 0.02 0.48 0.35 -0.09 -2.23 0.00 0.00 178.31 176.84 3hds h ARG 20 N 0.78 0.76 -0.97 1.11 2.43 -0.87 -0.19 114.38 117.43 3hds h ARG 20 Ca 0.21 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3hds h ARG 20 Cb -0.06 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 3hds h ARG 20 CO -0.04 0.53 0.64 0.87 -1.51 0.00 0.00 179.97 180.46 3hds h LYS 21 N 0.76 1.27 0.00 0.20 1.57 -0.93 -1.87 116.57 117.57 3hds h LYS 21 Ca 0.20 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 3hds h LYS 21 Cb -0.04 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 3hds h LYS 21 CO -0.04 0.84 -0.42 0.93 -0.57 0.00 0.00 179.45 180.20 3hds h GLU 22 N 1.31 0.00 -0.48 3.15 4.39 -0.38 -1.50 114.58 121.07 3hds h GLU 22 Ca 0.36 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 3hds h GLU 22 Cb -0.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3hds h GLU 22 CO -0.08 0.42 0.18 0.00 -1.16 0.00 0.00 179.01 178.36 3hds h VAL 24 N 0.63 1.01 -0.68 0.00 2.07 -1.05 -0.75 116.25 117.48 3hds h VAL 24 Ca 0.16 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.66 3hds h VAL 24 Cb 0.22 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3hds h VAL 24 CO -0.01 0.04 0.39 0.58 0.02 0.00 0.00 177.57 178.59 3hds h VAL 25 N 0.22 0.99 -0.78 2.57 2.07 -1.04 -0.26 116.25 120.02 3hds h VAL 25 Ca 0.08 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3hds h VAL 25 Cb 0.00 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 3hds h VAL 25 CO -0.04 0.13 0.42 -0.74 0.02 0.00 0.00 177.57 177.36 3hds h HIS 26 N 0.73 1.08 -0.23 1.57 2.76 -0.29 -0.21 115.15 120.57 3hds h HIS 26 Ca 0.30 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3hds h HIS 26 Cb 0.16 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3hds h HIS 26 CO -0.07 0.77 0.06 0.35 -1.30 0.00 0.00 177.93 177.74 3hds h PHE 27 N 1.09 0.37 -0.74 5.26 3.57 -0.64 -2.53 116.94 123.32 3hds h PHE 27 Ca 0.27 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3hds h PHE 27 Cb 0.05 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3hds h PHE 27 CO 0.00 0.44 0.45 1.96 -2.23 0.00 0.00 178.31 178.94 3hds h GLN 28 N 0.19 0.84 -0.56 1.11 4.20 -0.56 -2.08 115.11 118.26 3hds h GLN 28 Ca 0.07 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.82 3hds h GLN 28 Cb 0.25 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3hds h GLN 28 CO -0.00 0.55 0.37 0.52 -0.67 0.00 0.00 178.83 179.61 3hds h MET 29 N 0.86 0.38 0.00 1.46 2.86 -0.95 -3.00 114.93 116.55 3hds h MET 29 Ca 0.31 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3hds h MET 29 Cb 0.08 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hds h MET 29 CO -0.14 0.25 0.00 -1.13 1.06 0.00 0.00 176.91 176.96 3hds n SER 30 N -4.47 0.50 -4.70 1.22 3.41 -0.78 -4.81 113.62 103.98 3hds n SER 30 Ca 0.09 0.59 -0.44 0.00 -0.26 0.00 0.00 58.87 58.85 3hds n SER 30 Cb 0.34 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.69 2.21 -1.73 7.33 0.00 -1.14 -1.82 120.51 123.67 3hds n ALA 31 Ca 0.04 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 3hds n ALA 31 Cb 0.28 -2.45 -0.05 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 3.49 1.03 3.70 0.00 0.00 -1.26 -4.94 105.19 107.20 3hds n GLY 32 Ca 0.15 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.83 4.13 0.24 1.61 0.00 -0.76 -4.91 119.30 115.79 3hds s MET 33 Ca 0.00 2.60 -0.31 0.00 0.00 0.00 0.00 55.69 57.98 3hds s MET 33 Cb 0.00 -3.45 -0.13 0.00 0.00 0.00 0.00 34.83 31.25 3hds s MET 33 CO 0.00 -0.82 1.39 -2.30 0.00 0.00 0.00 175.02 173.29 3hds n PRO 34 N 5.19 1.98 -0.43 4.11 -0.02 -1.26 -2.13 135.00 142.44 3hds n PRO 34 Ca 0.17 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3hds n PRO 34 Cb 0.37 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 2.10 1.22 3.70 -1.23 0.00 -1.26 -3.75 105.19 105.96 3hds n GLY 35 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 4.25 -0.03 0.99 2.96 -0.91 -4.38 118.68 121.56 3hds s LEU 36 Ca 0.00 0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3hds s LEU 36 Cb 0.00 -2.84 -0.29 0.00 0.50 0.00 0.00 46.19 43.56 3hds s LEU 36 CO 0.00 -0.11 0.74 -0.74 -1.32 0.00 0.00 176.35 174.93 3hds h HIS 37 N 6.97 0.60 -2.06 5.38 -0.00 -1.25 -3.45 115.15 121.33 3hds h HIS 37 Ca -0.38 -0.44 -0.05 0.00 -0.00 0.00 0.00 60.37 59.50 3hds h HIS 37 Cb 1.17 -0.02 -0.20 0.00 -0.00 0.00 0.00 27.41 28.35 3hds h HIS 37 CO 0.66 1.55 0.12 0.21 -0.00 0.00 0.00 177.93 180.46 3hds s LYS 38 N -2.59 0.89 -0.02 5.26 2.20 -1.19 -4.99 119.74 119.30 3hds s LYS 38 Ca -0.13 0.70 0.04 0.00 -0.36 0.00 0.00 55.97 56.22 3hds s LYS 38 Cb 0.06 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.80 3hds s LYS 38 CO 0.85 -0.18 -0.14 -0.47 -0.36 0.00 0.00 175.35 175.06 3hds s TYR 39 N -0.20 1.30 -0.00 4.03 5.04 -1.26 -1.42 117.35 124.84 3hds s TYR 39 Ca -0.04 -0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 3hds s TYR 39 Cb -0.03 -0.85 -0.00 0.00 0.35 0.00 0.00 41.96 41.42 3hds s TYR 39 CO 0.04 -0.05 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.15 3hds s GLU 40 N -0.21 0.38 -0.02 4.97 2.12 -0.58 -5.00 118.70 120.36 3hds s GLU 40 Ca 0.03 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.21 3hds s GLU 40 Cb -0.07 -0.37 0.01 0.00 0.26 0.00 0.00 34.13 33.96 3hds s GLU 40 CO -0.00 0.09 -0.03 0.54 -0.54 0.00 0.00 175.26 175.33 3hds s VAL 41 N -0.08 0.29 0.04 3.70 0.11 -1.26 -0.67 120.40 122.52 3hds s VAL 41 Ca 0.01 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 3hds s VAL 41 Cb -0.02 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 3hds s VAL 41 CO -0.00 0.12 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.70 3hds s ARG 42 N 0.40 0.48 0.41 1.54 0.52 -0.35 -4.99 118.95 116.96 3hds s ARG 42 Ca -0.04 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 3hds s ARG 42 Cb -0.07 -0.13 -0.07 0.00 0.52 0.00 0.00 34.95 35.20 3hds s ARG 42 CO -0.01 0.00 0.80 -0.51 0.02 0.00 0.00 175.30 175.61 3hds s LEU 43 N -1.72 3.83 -0.43 2.53 1.43 -1.26 -0.60 118.68 122.48 3hds s LEU 43 Ca -0.09 1.23 -0.25 0.00 -1.03 0.00 0.00 54.13 53.99 3hds s LEU 43 Cb -0.08 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.05 3hds s LEU 43 CO -0.01 -0.40 0.89 -0.69 0.23 0.00 0.00 176.35 176.37 3hds s VAL 44 N -2.35 4.55 -0.12 -1.59 1.01 -0.70 -4.82 120.40 116.38 3hds s VAL 44 Ca 0.53 0.83 0.16 0.00 0.00 0.00 0.00 61.98 63.50 3hds s VAL 44 Cb -0.10 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.68 3hds s VAL 44 CO 0.29 -0.70 0.45 0.00 0.00 0.00 0.00 175.10 175.13 3hds n ALA 45 N 6.93 1.70 -3.11 5.51 0.00 -1.26 -4.92 120.51 125.37 3hds n ALA 45 Ca 0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 3hds n ALA 45 Cb 0.48 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 19.25 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 -5.14 -0.06 -0.55 0.00 0.00 -1.26 -5.09 107.32 95.21 3hds s GLY 46 Ca -0.07 0.06 0.06 0.00 0.00 0.00 0.00 44.72 44.78 3hds s GLY 46 CO 0.83 -0.13 0.61 0.70 0.00 0.00 0.00 173.10 175.11 3hds n ASN 47 N 1.12 2.12 -4.70 1.64 3.02 -1.26 -5.11 115.26 112.08 3hds n ASN 47 Ca -0.21 -3.07 -0.42 0.00 -0.03 0.00 0.00 54.58 50.85 3hds n ASN 47 Cb 0.57 -0.66 -0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3hds n ASN 47 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3hds n PRO 48 N 1.34 2.08 0.00 3.52 -0.02 -1.26 -4.94 135.00 135.72 3hds n PRO 48 Ca 0.26 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3hds n PRO 48 Cb 0.45 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3hds n PRO 48 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hds n THR 49 N 0.18 0.10 -2.33 3.45 -2.24 -1.26 -4.81 114.28 107.36 3hds n THR 49 Ca 0.05 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 3hds n THR 49 Cb 0.37 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.05 5.26 -4.88 3.42 5.75 -1.26 -4.88 116.55 119.92 3hds n ASP 50 Ca 0.00 -3.12 -0.30 0.00 -0.01 0.00 0.00 54.79 51.35 3hds n ASP 50 Cb 0.05 -1.46 -0.03 0.00 -1.03 0.00 0.00 41.12 38.64 3hds n ASP 50 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hds s THR 51 N 0.20 4.81 -1.35 2.12 -4.23 -1.26 -5.00 115.64 110.93 3hds s THR 51 Ca 0.40 0.56 0.27 0.00 -1.18 0.00 0.00 61.69 61.74 3hds s THR 51 Cb 0.10 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.44 3hds s THR 51 CO 0.00 -0.47 1.65 1.41 -0.54 0.00 0.00 174.62 176.68 3hds n HIS 52 N -1.17 0.00 -4.58 3.99 8.25 -1.26 -4.83 115.22 115.62 3hds n HIS 52 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.21 3hds n HIS 52 Cb 0.54 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 3hds n HIS 52 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hds s VAL 53 N -2.74 1.92 0.18 1.59 -7.23 -1.26 -5.10 120.40 107.76 3hds s VAL 53 Ca 0.19 -2.03 -0.33 0.00 -1.81 0.00 0.00 61.98 58.01 3hds s VAL 53 Cb 0.19 -2.91 -0.15 0.00 0.56 0.00 0.00 36.38 34.07 3hds s VAL 53 CO 0.57 -0.03 1.33 -2.65 -0.31 0.00 0.00 175.10 174.00 3hds n PRO 54 N -0.90 1.60 -2.57 4.82 -0.02 -1.26 -4.92 135.00 131.75 3hds n PRO 54 Ca -0.05 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 3hds n PRO 54 Cb 0.66 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.08 3.67 -0.31 6.00 5.04 -1.26 -5.04 117.35 125.53 3hds s TYR 55 Ca 0.73 1.67 -0.09 0.00 -2.44 0.00 0.00 57.07 56.94 3hds s TYR 55 Cb -0.77 -3.21 -0.01 0.00 0.35 0.00 0.00 41.96 38.32 3hds s TYR 55 CO 0.49 -0.37 0.15 -1.17 -1.34 0.00 0.00 175.55 173.31 3hds s LEU 56 N -0.45 4.10 -0.20 6.97 2.96 -1.26 -5.07 118.68 125.72 3hds s LEU 56 Ca 0.48 -0.54 -0.21 0.00 -0.22 0.00 0.00 54.13 53.64 3hds s LEU 56 Cb -0.28 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3hds s LEU 56 CO 0.34 -0.20 0.66 -0.62 -1.32 0.00 0.00 176.35 175.21 3hds s ASP 57 N 1.61 6.71 -0.13 3.68 -1.08 -1.26 -4.91 116.67 121.29 3hds s ASP 57 Ca 0.04 0.87 0.17 0.00 -0.52 0.00 0.00 52.55 53.11 3hds s ASP 57 Cb -0.17 -2.36 0.32 0.00 -1.46 0.00 0.00 42.92 39.25 3hds s ASP 57 CO 0.06 -0.30 1.20 1.33 0.52 0.00 0.00 175.17 177.98 3hds n VAL 58 N 4.75 1.90 -4.27 1.11 0.24 -1.26 -5.12 118.33 115.68 3hds n VAL 58 Ca -0.00 -2.06 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 3hds n VAL 58 Cb 0.49 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.12 -0.90 3.54 7.63 0.00 -1.26 -4.75 105.19 108.33 3hds n GLY 59 Ca 0.16 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 3.47 -0.18 1.61 3.52 -1.26 -5.05 118.95 121.06 3hds s ARG 60 Ca 0.00 -0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 55.20 3hds s ARG 60 Cb 0.00 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 3hds s ARG 60 CO 0.00 -0.72 0.06 0.42 -0.81 0.00 0.00 175.30 174.25 3hds s ILE 61 N 2.36 4.77 -0.13 4.11 -1.09 -1.26 -4.81 121.20 125.16 3hds s ILE 61 Ca 0.17 -0.04 0.16 0.00 -2.23 0.00 0.00 60.65 58.71 3hds s ILE 61 Cb -0.16 -3.14 -0.23 0.00 -1.58 0.00 0.00 42.46 37.34 3hds s ILE 61 CO 0.14 0.47 0.40 0.47 -1.23 0.00 0.00 174.94 175.18 3hds n ASP 62 N 3.47 0.41 -3.66 3.58 8.00 0.26 -4.65 116.55 123.96 3hds n ASP 62 Ca -0.17 0.19 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 3hds n ASP 62 Cb 0.52 0.60 -0.04 0.00 -0.02 0.00 0.00 41.12 42.18 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 -2.65 -0.98 -0.10 2.24 0.00 -0.94 -1.72 121.76 117.61 3hds s ALA 63 Ca -0.07 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.84 3hds s ALA 63 Cb 0.08 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3hds s ALA 63 CO 0.83 -0.72 -0.20 0.42 0.00 0.00 0.00 175.76 176.09 3hds s ILE 64 N -3.83 1.80 0.19 0.00 -1.09 0.24 -0.87 121.20 117.64 3hds s ILE 64 Ca 0.06 -0.86 0.09 0.00 -2.23 0.00 0.00 60.65 57.70 3hds s ILE 64 Cb 0.00 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 3hds s ILE 64 CO -0.08 0.50 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.21 3hds s GLY 65 N 0.50 1.72 -0.13 6.18 0.00 -0.32 -1.21 107.32 114.05 3hds s GLY 65 Ca -0.16 -1.51 -0.10 0.00 0.00 0.00 0.00 44.72 42.95 3hds s GLY 65 CO 0.06 -1.54 0.34 1.85 0.00 0.00 0.00 173.10 173.81 3hds s GLU 66 N -2.95 0.36 -0.05 2.90 2.12 0.15 -0.24 118.70 120.98 3hds s GLU 66 Ca 0.26 0.56 0.04 0.00 0.36 0.00 0.00 54.97 56.19 3hds s GLU 66 Cb -0.08 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 3hds s GLU 66 CO 0.16 -0.10 -0.18 0.00 -0.54 0.00 0.00 175.26 174.60 3hds s TRP 68 N -0.51 2.64 -0.05 0.00 0.51 -0.50 -1.34 118.94 119.69 3hds s TRP 68 Ca 0.07 -0.33 0.03 0.00 -2.12 0.00 0.00 56.10 53.75 3hds s TRP 68 Cb -0.12 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 30.91 3hds s TRP 68 CO 0.01 0.05 -0.14 -0.06 -0.51 0.00 0.00 176.95 176.31 3hds s PHE 69 N -0.50 1.49 -0.27 -1.98 0.08 0.37 -0.72 117.98 116.46 3hds s PHE 69 Ca 0.06 -0.48 0.28 0.00 0.12 0.00 0.00 56.93 56.91 3hds s PHE 69 Cb -0.12 -1.05 1.06 0.00 -0.57 0.00 0.00 43.02 42.35 3hds s PHE 69 CO 0.01 -0.21 1.82 0.00 -0.10 0.00 0.00 175.22 176.75 3hds h ALA 70 N 6.59 1.00 -2.51 5.36 0.00 -1.85 0.17 119.26 128.01 3hds h ALA 70 Ca -0.32 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.71 3hds h ALA 70 Cb 1.18 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 3hds h ALA 70 CO 0.48 0.00 0.41 -1.54 0.00 0.00 0.00 179.25 178.60 3hds s SER 71 N -5.05 -0.30 0.38 0.00 1.04 -1.26 -3.78 113.70 104.73 3hds s SER 71 Ca 0.04 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.27 3hds s SER 71 Cb 0.09 0.51 0.76 0.00 0.10 0.00 0.00 66.02 67.48 3hds s SER 71 CO 0.50 -0.89 2.01 -0.33 0.98 0.00 0.00 173.24 175.50 3hds h GLU 72 N 2.00 0.69 -0.48 4.02 5.08 -1.89 -1.93 114.58 122.07 3hds h GLU 72 Ca -0.24 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3hds h GLU 72 Cb 1.25 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3hds h GLU 72 CO 0.28 0.46 0.06 0.93 -1.00 0.00 0.00 179.01 179.74 3hds h GLU 73 N 0.71 0.80 -0.73 2.33 3.07 -1.98 -1.55 114.58 117.24 3hds h GLU 73 Ca 0.24 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 3hds h GLU 73 Cb 0.07 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 3hds h GLU 73 CO -0.06 0.82 0.24 1.96 -1.40 0.00 0.00 179.01 180.57 3hds h GLN 74 N 0.67 1.13 -0.81 2.33 1.08 -1.77 -1.84 115.11 115.89 3hds h GLN 74 Ca 0.14 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3hds h GLN 74 Cb 0.42 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 3hds h GLN 74 CO 0.01 0.96 0.53 -0.92 -0.95 0.00 0.00 178.83 178.46 3hds h TYR 75 N 1.08 0.99 -0.21 2.96 3.20 -1.03 -1.30 116.97 122.67 3hds h TYR 75 Ca 0.24 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 3hds h TYR 75 Cb 0.29 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3hds h TYR 75 CO 0.02 0.58 -0.42 1.96 -1.64 0.00 0.00 178.16 178.67 3hds h GLN 76 N 1.04 0.49 -0.64 1.82 1.08 -0.94 -0.95 115.11 117.01 3hds h GLN 76 Ca 0.32 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3hds h GLN 76 Cb -0.03 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 3hds h GLN 76 CO -0.10 0.82 0.40 0.28 -0.95 0.00 0.00 178.83 179.28 3hds h VAL 77 N 0.40 1.09 -0.28 -0.54 2.07 -0.99 0.33 116.25 118.34 3hds h VAL 77 Ca 0.03 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hds h VAL 77 Cb 0.91 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3hds h VAL 77 CO 0.08 0.14 0.16 0.22 0.02 0.00 0.00 177.57 178.19 3hds h TYR 78 N 0.79 0.30 -0.33 1.57 3.20 -1.00 -1.35 116.97 120.15 3hds h TYR 78 Ca 0.25 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3hds h TYR 78 Cb 0.00 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3hds h TYR 78 CO -0.05 0.18 0.18 0.52 -1.64 0.00 0.00 178.16 177.35 3hds h MET 79 N 0.34 0.45 0.00 1.82 2.86 -0.55 -2.36 114.93 117.48 3hds h MET 79 Ca 0.11 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3hds h MET 79 Cb 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3hds h MET 79 CO -0.05 0.33 -0.38 0.93 1.06 0.00 0.00 176.91 178.80 3hds h GLU 80 N 0.45 0.00 -6.53 1.72 5.08 0.75 -3.47 114.58 112.59 3hds h GLU 80 Ca 0.12 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.95 3hds h GLU 80 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hds h GLU 80 CO -0.02 0.38 0.56 0.45 -1.00 0.00 0.00 179.01 179.38 3hds s SER 81 N -6.89 7.08 0.24 1.42 0.15 -0.89 -4.96 113.70 109.86 3hds s SER 81 Ca -0.03 2.07 -0.05 0.00 0.70 0.00 0.00 55.95 58.65 3hds s SER 81 Cb 0.14 -2.59 0.26 0.00 -1.71 0.00 0.00 66.02 62.13 3hds s SER 81 CO 0.72 -0.44 1.77 0.44 1.20 0.00 0.00 173.24 176.93 3hds h ASP 82 N 6.42 0.93 0.40 5.45 3.32 -1.91 -2.38 116.42 128.66 3hds h ASP 82 Ca -0.42 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.33 3hds h ASP 82 Cb 1.21 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3hds h ASP 82 CO 0.80 0.90 -0.51 -0.29 -1.72 0.00 0.00 179.24 178.41 3hds h ILE 83 N 0.94 1.36 -0.64 0.35 6.09 -1.95 -1.72 117.51 121.95 3hds h ILE 83 Ca 0.20 -1.77 -0.03 0.00 -1.37 0.00 0.00 64.86 61.89 3hds h ILE 83 Cb 0.33 1.90 -0.03 0.00 0.47 0.00 0.00 36.82 39.49 3hds h ILE 83 CO -0.00 0.52 0.27 -0.09 -3.07 0.00 0.00 178.15 175.78 3hds h ARG 84 N 0.10 0.94 -0.71 2.19 1.12 -1.80 0.13 114.38 116.36 3hds h ARG 84 Ca 0.00 -0.16 -0.01 0.00 -1.11 0.00 0.00 59.98 58.70 3hds h ARG 84 Cb 0.94 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.71 3hds h ARG 84 CO 0.07 0.78 0.41 0.87 -3.11 0.00 0.00 179.97 179.00 3hds h LYS 85 N 0.89 0.97 -0.55 0.20 1.57 -1.07 0.09 116.57 118.67 3hds h LYS 85 Ca 0.21 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3hds h LYS 85 Cb 0.18 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3hds h LYS 85 CO -0.02 0.71 0.07 0.00 -0.57 0.00 0.00 179.45 179.63 3hds h ALA 86 N 1.21 1.09 -0.63 3.86 0.00 -0.94 -2.06 119.26 121.79 3hds h ALA 86 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hds h ALA 86 Cb -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3hds h ALA 86 CO -0.04 0.59 0.40 2.35 0.00 0.00 0.00 179.25 182.54 3hds h TRP 87 N 0.84 0.81 -0.45 0.00 7.01 -0.04 -2.45 115.95 121.66 3hds h TRP 87 Ca 0.17 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 3hds h TRP 87 Cb 0.40 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 3hds h TRP 87 CO 0.02 0.53 0.09 0.74 -2.79 0.00 0.00 178.44 177.03 3hds h PHE 88 N 0.85 0.71 -0.78 2.65 -1.00 -0.63 -1.43 116.94 117.32 3hds h PHE 88 Ca 0.23 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.99 3hds h PHE 88 Cb -0.06 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.24 3hds h PHE 88 CO -0.02 0.62 0.49 0.93 -1.61 0.00 0.00 178.31 178.72 3hds h GLU 89 N 0.67 0.90 -0.80 1.51 4.39 -0.94 -1.09 114.58 119.22 3hds h GLU 89 Ca 0.15 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3hds h GLU 89 Cb 0.29 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 3hds h GLU 89 CO 0.00 0.60 0.41 1.25 -1.16 0.00 0.00 179.01 180.11 3hds h HIS 90 N 0.93 1.11 -0.95 4.33 2.76 -0.95 -2.39 115.15 119.99 3hds h HIS 90 Ca 0.32 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.57 3hds h HIS 90 Cb 0.06 -0.35 -0.07 0.00 1.55 0.00 0.00 27.41 28.60 3hds h HIS 90 CO -0.04 0.79 0.61 0.78 -1.30 0.00 0.00 177.93 178.77 3hds h GLY 91 N 1.15 1.46 1.81 5.26 0.00 -0.20 -1.58 103.07 110.98 3hds h GLY 91 Ca 0.28 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3hds h GLY 91 CO -0.04 0.18 0.07 0.50 0.00 0.00 0.00 176.54 177.25 3hds h LYS 92 N 0.94 0.25 -0.28 4.80 1.57 -0.77 -0.67 116.57 122.41 3hds h LYS 92 Ca 0.46 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 59.04 3hds h LYS 92 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3hds h LYS 92 CO -0.22 0.21 -0.52 -0.92 -0.57 0.00 0.00 179.45 177.43 3hds h TYR 93 N 0.25 1.07 -0.01 -1.35 3.20 -1.14 -3.38 116.97 115.61 3hds h TYR 93 Ca 0.06 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3hds h TYR 93 Cb 0.06 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.13 3hds h TYR 93 CO 0.00 1.20 -0.04 1.97 -1.64 0.00 0.00 178.16 179.65 3hds n PHE 94 N -4.05 0.00 -3.94 -3.82 -1.74 -1.05 -4.89 117.46 97.98 3hds n PHE 94 Ca -0.05 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.50 3hds n PHE 94 Cb 0.61 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.47 3hds n PHE 94 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3hds s ILE 95 N -0.92 2.93 0.09 1.97 1.01 -0.29 -4.14 121.20 121.85 3hds s ILE 95 Ca 0.11 -1.19 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 3hds s ILE 95 Cb 0.08 -2.58 -0.18 0.00 0.01 0.00 0.00 42.46 39.79 3hds s ILE 95 CO 0.15 0.06 1.27 1.23 0.00 0.00 0.00 174.94 177.64 3hds h GLY 96 N 8.00 0.82 -4.62 6.18 0.00 -0.71 -3.44 103.07 109.30 3hds h GLY 96 Ca -0.27 -1.23 -0.12 0.00 0.00 0.00 0.00 47.33 45.71 3hds h GLY 96 CO 0.55 1.09 -0.31 1.20 0.00 0.00 0.00 176.54 179.07 3hds s GLN 97 N -3.63 0.61 0.01 4.80 -0.21 -1.02 -4.93 119.66 115.29 3hds s GLN 97 Ca -0.11 -0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.12 3hds s GLN 97 Cb 0.08 0.27 -0.01 0.00 1.00 0.00 0.00 33.01 34.35 3hds s GLN 97 CO 0.90 -0.16 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.72 3hds s LEU 98 N -1.19 2.06 -0.19 2.90 2.96 -1.26 -1.06 118.68 122.91 3hds s LEU 98 Ca -0.12 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3hds s LEU 98 Cb -0.05 -0.03 0.04 0.00 0.50 0.00 0.00 46.19 46.65 3hds s LEU 98 CO 0.04 -0.06 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.19 3hds s LYS 99 N -0.38 1.66 0.07 1.98 2.47 -0.55 -4.97 119.74 120.02 3hds s LYS 99 Ca -0.03 -0.68 -0.12 0.00 -1.56 0.00 0.00 55.97 53.57 3hds s LYS 99 Cb -0.03 -2.22 -0.06 0.00 -1.46 0.00 0.00 37.83 34.06 3hds s LYS 99 CO -0.00 -0.45 0.43 -2.14 0.16 0.00 0.00 175.35 173.35 3hds s PRO 100 N 1.53 3.85 -0.14 4.03 0.02 -1.26 -0.88 135.00 142.14 3hds s PRO 100 Ca -0.01 0.31 0.01 0.00 0.02 0.00 0.00 61.00 61.33 3hds s PRO 100 Cb -0.16 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.34 3hds s PRO 100 CO -0.08 0.58 -0.15 -0.06 -0.33 0.00 0.00 177.00 176.96 3hds s PHE 101 N -1.33 2.17 -0.14 6.54 0.08 0.90 -4.98 117.98 121.22 3hds s PHE 101 Ca 0.32 -1.17 -0.24 0.00 0.12 0.00 0.00 56.93 55.96 3hds s PHE 101 Cb -0.15 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3hds s PHE 101 CO 0.17 -0.62 0.74 0.08 -0.10 0.00 0.00 175.22 175.49 3hds s VAL 102 N 1.32 4.97 0.37 -0.44 1.01 -1.26 -1.02 120.40 125.35 3hds s VAL 102 Ca 0.01 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.53 3hds s VAL 102 Cb -0.13 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3hds s VAL 102 CO -0.08 0.13 0.43 0.42 0.00 0.00 0.00 175.10 176.00 3hds s THR 103 N 1.59 3.37 -0.04 3.92 -4.23 -0.49 -5.01 115.64 114.75 3hds s THR 103 Ca 0.36 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 3hds s THR 103 Cb -0.17 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.52 3hds s THR 103 CO 0.14 -0.09 -0.08 -0.70 -0.54 0.00 0.00 174.62 173.35 3hds s GLU 104 N -4.16 1.02 0.49 3.99 2.12 -1.26 -4.58 118.70 116.32 3hds s GLU 104 Ca 0.47 -0.26 -0.20 0.00 0.36 0.00 0.00 54.97 55.34 3hds s GLU 104 Cb -0.07 -0.94 -0.08 0.00 0.26 0.00 0.00 34.13 33.29 3hds s GLU 104 CO 0.30 0.05 1.02 -1.21 -0.54 0.00 0.00 175.26 174.88 3hds s GLU 105 N 0.46 3.82 -0.01 4.30 0.41 -1.26 -4.96 118.70 121.45 3hds s GLU 105 Ca -0.07 1.28 0.02 0.00 -0.41 0.00 0.00 54.97 55.79 3hds s GLU 105 Cb -0.11 -2.10 -0.03 0.00 -1.78 0.00 0.00 34.13 30.10 3hds s GLU 105 CO 0.01 -0.40 0.03 1.28 -0.49 0.00 0.00 175.26 175.69 3hds n LEU 106 N -1.07 0.00 0.00 1.80 4.77 -1.26 -5.27 117.00 115.97 3hds n LEU 106 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hds n LEU 106 Cb 0.53 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3hds n LEU 106 CO 0.40 0.03 0.05 1.33 -1.33 0.00 0.00 177.39 177.87