#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6l s VAL 3 N 0.00 2.14 -0.21 -0.18 1.01 -1.26 -5.10 120.40 116.80 2h6l s VAL 3 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2h6l s VAL 3 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2h6l s VAL 3 CO 0.00 0.54 -0.10 -0.36 0.00 0.00 0.00 175.10 175.19 2h6l s PHE 4 N 0.89 2.91 -0.00 5.22 0.40 -1.26 -5.11 117.98 121.03 2h6l s PHE 4 Ca -0.05 -1.23 -0.08 0.00 -0.60 0.00 0.00 56.93 54.97 2h6l s PHE 4 Cb -0.15 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 2h6l s PHE 4 CO -0.03 -0.65 0.29 -2.00 0.70 0.00 0.00 175.22 173.52 2h6l s GLU 5 N 1.40 3.63 0.28 0.44 2.12 -1.26 -5.10 118.70 120.22 2h6l s GLU 5 Ca 0.05 0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.36 2h6l s GLU 5 Cb -0.14 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 2h6l s GLU 5 CO -0.07 0.66 0.36 -0.06 -0.54 0.00 0.00 175.26 175.62 2h6l s PHE 6 N -1.24 0.99 0.01 5.30 0.40 -1.26 -4.35 117.98 117.82 2h6l s PHE 6 Ca 0.26 -1.21 0.06 0.00 -0.60 0.00 0.00 56.93 55.44 2h6l s PHE 6 Cb -0.14 -0.21 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 2h6l s PHE 6 CO 0.14 -0.94 -0.20 -1.21 0.70 0.00 0.00 175.22 173.72 2h6l s GLU 7 N -3.63 1.49 0.14 0.44 2.02 -0.42 -4.93 118.70 113.81 2h6l s GLU 7 Ca 0.32 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.58 2h6l s GLU 7 Cb 0.02 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 2h6l s GLU 7 CO 0.16 0.40 0.14 0.14 0.02 0.00 0.00 175.26 176.12 2h6l s VAL 8 N -0.57 4.61 0.30 2.63 -7.23 -1.26 -1.53 120.40 117.34 2h6l s VAL 8 Ca 0.07 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2h6l s VAL 8 Cb -0.08 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2h6l s VAL 8 CO 0.00 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 2h6l n GLY 9 N -0.17 -1.13 3.99 2.32 0.00 -1.26 -5.03 105.19 103.92 2h6l n GLY 9 Ca -0.08 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 2h6l n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6l s LYS 10 N -2.00 2.89 -0.03 1.61 1.02 -1.26 -5.13 119.74 116.84 2h6l s LYS 10 Ca 0.00 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 2h6l s LYS 10 Cb 0.00 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 2h6l s LYS 10 CO 0.00 -0.25 0.28 0.20 -0.92 0.00 0.00 175.35 174.66 2h6l s GLY 11 N -4.29 -0.13 -0.00 -3.33 0.00 -1.26 -4.30 107.32 94.00 2h6l s GLY 11 Ca 0.52 0.36 0.01 0.00 0.00 0.00 0.00 44.72 45.61 2h6l s GLY 11 CO 0.34 0.18 -0.05 -1.36 0.00 0.00 0.00 173.10 172.22 2h6l s PHE 12 N -1.00 0.42 -0.12 1.90 0.08 -0.41 -4.99 117.98 113.85 2h6l s PHE 12 Ca -0.11 -0.08 0.03 0.00 0.12 0.00 0.00 56.93 56.89 2h6l s PHE 12 Cb -0.05 -0.28 0.01 0.00 -0.57 0.00 0.00 43.02 42.13 2h6l s PHE 12 CO 0.03 -0.01 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.41 2h6l s LEU 13 N -0.07 2.05 0.04 -0.37 1.43 -1.26 -0.33 118.68 120.18 2h6l s LEU 13 Ca 0.01 -0.56 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 2h6l s LEU 13 Cb -0.02 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 2h6l s LEU 13 CO -0.00 0.10 -0.25 -0.76 0.23 0.00 0.00 176.35 175.66 2h6l s LEU 14 N 0.67 2.24 -0.37 1.79 1.43 0.47 -4.93 118.68 119.98 2h6l s LEU 14 Ca -0.11 -0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 52.35 2h6l s LEU 14 Cb -0.16 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.78 2h6l s LEU 14 CO 0.02 0.26 0.16 -0.60 0.23 0.00 0.00 176.35 176.42 2h6l s ARG 15 N -1.27 2.63 0.68 1.70 3.52 -1.26 -1.14 118.95 123.81 2h6l s ARG 15 Ca 0.12 -1.25 -0.13 0.00 -0.13 0.00 0.00 55.73 54.34 2h6l s ARG 15 Cb -0.10 -3.59 0.01 0.00 -1.56 0.00 0.00 34.95 29.71 2h6l s ARG 15 CO 0.02 -0.75 1.08 -0.51 -0.81 0.00 0.00 175.30 174.33 2h6l s LEU 16 N 1.43 3.26 0.13 -0.88 1.02 -0.28 -5.02 118.68 118.34 2h6l s LEU 16 Ca 0.00 1.79 -0.29 0.00 0.02 0.00 0.00 54.13 55.66 2h6l s LEU 16 Cb -0.20 -4.52 -0.07 0.00 0.02 0.00 0.00 46.19 41.42 2h6l s LEU 16 CO 0.03 -1.55 0.91 -1.81 0.02 0.00 0.00 176.35 173.95 2h6l s ASP 17 N -3.19 7.46 0.31 2.29 1.01 -1.26 -4.54 116.67 118.76 2h6l s ASP 17 Ca 0.62 1.75 -0.29 0.00 0.71 0.00 0.00 52.55 55.33 2h6l s ASP 17 Cb -0.17 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.10 2h6l s ASP 17 CO 0.48 0.02 1.44 -0.47 0.21 0.00 0.00 175.17 176.85 2h6l s TYR 18 N -0.33 2.87 0.00 4.23 6.14 -1.26 -2.97 117.35 126.02 2h6l s TYR 18 Ca 0.43 1.12 0.00 0.00 0.64 0.00 0.00 57.07 59.27 2h6l s TYR 18 Cb -0.23 -3.88 0.00 0.00 0.42 0.00 0.00 41.96 38.27 2h6l s TYR 18 CO 0.29 -2.70 0.00 0.41 0.64 0.00 0.00 175.55 174.18 2h6l n GLY 19 N 1.37 0.68 3.62 8.97 0.00 0.59 -4.96 105.19 115.46 2h6l n GLY 19 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2h6l n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6l s LYS 20 N -0.11 2.22 0.12 1.61 -0.14 -1.16 -4.80 119.74 117.48 2h6l s LYS 20 Ca 0.00 -1.40 -0.31 0.00 -1.36 0.00 0.00 55.97 52.90 2h6l s LYS 20 Cb 0.00 -2.14 -0.08 0.00 -1.68 0.00 0.00 37.83 33.92 2h6l s LYS 20 CO 0.00 0.38 1.43 0.34 -0.76 0.00 0.00 175.35 176.74 2h6l s ASP 21 N -3.50 6.77 0.10 2.83 2.15 -1.26 -1.11 116.67 122.66 2h6l s ASP 21 Ca 0.30 2.38 -0.29 0.00 0.43 0.00 0.00 52.55 55.37 2h6l s ASP 21 Cb -0.07 -2.59 -0.13 0.00 -0.30 0.00 0.00 42.92 39.84 2h6l s ASP 21 CO 0.19 -0.69 1.64 0.25 -0.17 0.00 0.00 175.17 176.38 2h6l h LEU 22 N 6.86 -0.75 -0.64 -1.34 6.46 -0.51 -1.98 115.31 123.42 2h6l h LEU 22 Ca -0.42 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2h6l h LEU 22 Cb 1.21 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 41.36 2h6l h LEU 22 CO 0.88 -0.41 0.41 0.58 -0.62 0.00 0.00 178.44 179.28 2h6l h VAL 23 N -0.61 1.14 -0.79 1.05 2.07 -1.91 -2.72 116.25 114.48 2h6l h VAL 23 Ca -0.01 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2h6l h VAL 23 Cb 0.55 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2h6l h VAL 23 CO -0.05 0.15 0.40 0.03 0.02 0.00 0.00 177.57 178.12 2h6l h ARG 24 N 0.84 1.12 -0.51 1.57 2.47 -1.92 -1.53 114.38 116.41 2h6l h ARG 24 Ca 0.24 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 2h6l h ARG 24 Cb -0.06 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.03 2h6l h ARG 24 CO -0.07 0.85 0.25 1.96 0.56 0.00 0.00 179.97 183.53 2h6l h GLN 25 N 1.10 0.72 -0.46 0.04 4.20 -1.13 -0.13 115.11 119.45 2h6l h GLN 25 Ca 0.27 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2h6l h GLN 25 Cb 0.09 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2h6l h GLN 25 CO -0.04 0.59 0.17 0.82 -0.67 0.00 0.00 178.83 179.71 2h6l h ILE 26 N 0.67 1.21 -0.49 2.54 2.04 -1.31 -1.83 117.51 120.35 2h6l h ILE 26 Ca 0.17 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2h6l h ILE 26 Cb 0.10 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2h6l h ILE 26 CO -0.02 0.25 0.20 -0.33 0.00 0.00 0.00 178.15 178.25 2h6l h GLU 27 N 0.61 0.69 -0.58 2.37 5.08 -0.93 0.12 114.58 121.93 2h6l h GLU 27 Ca 0.15 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2h6l h GLU 27 Cb 0.21 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2h6l h GLU 27 CO -0.01 0.56 -0.05 0.93 -1.00 0.00 0.00 179.01 179.45 2h6l h GLU 28 N 0.69 1.06 -0.39 2.33 5.08 -0.69 -2.02 114.58 120.64 2h6l h GLU 28 Ca 0.17 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2h6l h GLU 28 Cb 0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2h6l h GLU 28 CO -0.02 1.06 0.20 0.35 -1.00 0.00 0.00 179.01 179.60 2h6l h PHE 29 N 0.96 0.54 -0.77 4.33 3.57 -0.44 -1.48 116.94 123.64 2h6l h PHE 29 Ca 0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2h6l h PHE 29 Cb 0.61 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 2h6l h PHE 29 CO 0.04 0.44 0.40 -0.07 -2.23 0.00 0.00 178.31 176.89 2h6l h LEU 30 N 0.49 0.97 -0.25 0.59 3.38 -0.84 -1.70 115.31 117.96 2h6l h LEU 30 Ca 0.13 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2h6l h LEU 30 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2h6l h LEU 30 CO -0.02 0.80 -0.07 -0.33 0.09 0.00 0.00 178.44 178.91 2h6l h GLU 31 N 1.08 0.48 -0.82 1.13 4.39 -1.16 0.30 114.58 119.98 2h6l h GLU 31 Ca 0.27 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2h6l h GLU 31 Cb 0.06 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2h6l h GLU 31 CO -0.04 0.72 0.52 1.49 -1.16 0.00 0.00 179.01 180.54 2h6l h GLU 32 N 0.22 1.10 0.00 2.33 4.81 -1.03 -2.68 114.58 119.33 2h6l h GLU 32 Ca 0.06 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2h6l h GLU 32 Cb 0.55 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2h6l h GLU 32 CO 0.03 0.75 -0.75 1.63 -0.73 0.00 0.00 179.01 179.94 2h6l n LYS 33 N -4.39 0.21 -2.74 1.92 4.76 -0.66 -4.97 118.16 112.30 2h6l n LYS 33 Ca 0.09 0.03 -0.07 0.00 -2.87 0.00 0.00 58.31 55.49 2h6l n LYS 33 Cb 0.05 -1.60 0.02 0.00 -1.84 0.00 0.00 35.03 31.65 2h6l n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2h6l n GLY 34 N 1.39 0.42 3.59 0.72 0.00 0.83 -5.00 105.19 107.14 2h6l n GLY 34 Ca 0.03 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2h6l n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6l s ILE 35 N -2.98 4.97 -0.48 -0.61 -1.09 0.14 -4.92 121.20 116.23 2h6l s ILE 35 Ca 0.16 0.71 0.19 0.00 -2.23 0.00 0.00 60.65 59.48 2h6l s ILE 35 Cb -0.07 -3.97 -0.24 0.00 -1.58 0.00 0.00 42.46 36.59 2h6l s ILE 35 CO 0.20 -0.14 0.61 1.41 -1.23 0.00 0.00 174.94 175.79 2h6l n HIS 36 N 5.82 0.00 -3.77 3.97 8.25 -1.26 -4.66 115.22 123.58 2h6l n HIS 36 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 2h6l n HIS 36 Cb 0.49 -0.20 -0.13 0.00 1.12 0.00 0.00 29.99 31.27 2h6l n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h6l s ALA 37 N -3.01 -0.47 0.00 -1.41 0.00 -1.26 -3.19 121.76 112.43 2h6l s ALA 37 Ca 0.01 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 2h6l s ALA 37 Cb 0.13 -0.46 0.11 0.00 0.00 0.00 0.00 23.12 22.89 2h6l s ALA 37 CO 0.77 -0.14 1.13 0.00 0.00 0.00 0.00 175.76 177.52 2h6l s ALA 38 N 0.74 -1.99 -0.09 0.00 0.00 -1.07 0.44 121.76 119.79 2h6l s ALA 38 Ca -0.05 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2h6l s ALA 38 Cb -0.07 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2h6l s ALA 38 CO -0.04 -0.93 -0.04 -1.58 0.00 0.00 0.00 175.76 173.17 2h6l s HIS 39 N -2.75 3.02 0.08 0.00 5.65 -0.32 -0.03 115.29 120.93 2h6l s HIS 39 Ca 0.12 0.01 0.10 0.00 0.25 0.00 0.00 55.06 55.53 2h6l s HIS 39 Cb 0.01 -1.79 -0.03 0.00 -1.18 0.00 0.00 32.58 29.59 2h6l s HIS 39 CO -0.03 0.30 -0.26 0.42 -0.65 0.00 0.00 174.74 174.52 2h6l s ILE 40 N -0.58 2.15 -0.09 0.89 1.01 0.14 -1.77 121.20 122.94 2h6l s ILE 40 Ca 0.09 -1.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.03 2h6l s ILE 40 Cb -0.12 -1.87 0.04 0.00 0.01 0.00 0.00 42.46 40.53 2h6l s ILE 40 CO 0.02 0.25 0.46 -0.55 0.00 0.00 0.00 174.94 175.12 2h6l s SER 41 N -1.55 -0.42 0.11 3.58 0.15 -0.90 -1.29 113.70 113.36 2h6l s SER 41 Ca 0.12 0.60 -0.25 0.00 0.70 0.00 0.00 55.95 57.12 2h6l s SER 41 Cb -0.10 0.65 0.08 0.00 -1.71 0.00 0.00 66.02 64.94 2h6l s SER 41 CO 0.04 -0.37 0.68 0.00 1.20 0.00 0.00 173.24 174.79 2h6l s ALA 42 N -0.63 -1.67 0.17 5.45 0.00 -0.65 0.32 121.76 124.74 2h6l s ALA 42 Ca -0.07 0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 2h6l s ALA 42 Cb -0.03 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 2h6l s ALA 42 CO 0.04 -0.74 0.19 0.96 0.00 0.00 0.00 175.76 176.21 2h6l s ILE 43 N -3.51 0.06 -1.94 0.00 -4.36 -1.06 -3.12 121.20 107.26 2h6l s ILE 43 Ca 0.02 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 2h6l s ILE 43 Cb -0.01 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.62 2h6l s ILE 43 CO -0.11 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.41 2h6l n GLY 44 N -0.20 0.57 3.22 6.27 0.00 -1.25 -2.10 105.19 111.70 2h6l n GLY 44 Ca -0.04 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 2h6l n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h6l s ALA 45 N -1.00 -0.58 0.17 4.61 0.00 0.19 0.32 121.76 125.47 2h6l s ALA 45 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 51.98 2h6l s ALA 45 Cb 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2h6l s ALA 45 CO 0.00 -0.37 -0.16 0.14 0.00 0.00 0.00 175.76 175.37 2h6l s VAL 46 N -2.35 1.71 -0.05 0.00 -7.23 0.99 -1.56 120.40 111.91 2h6l s VAL 46 Ca -0.07 -1.97 0.13 0.00 -1.81 0.00 0.00 61.98 58.27 2h6l s VAL 46 Cb -0.02 -1.85 -0.16 0.00 0.56 0.00 0.00 36.38 34.92 2h6l s VAL 46 CO -0.02 -0.41 0.94 0.03 -0.31 0.00 0.00 175.10 175.32 2h6l h ARG 47 N 3.10 0.00 -2.70 4.82 3.08 -1.24 0.74 114.38 122.18 2h6l h ARG 47 Ca -0.41 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.75 2h6l h ARG 47 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 2h6l h ARG 47 CO 0.54 0.53 0.38 -1.54 -1.07 0.00 0.00 179.97 178.81 2h6l s SER 48 N -6.16 -0.13 0.05 7.04 1.04 -1.25 -2.79 113.70 111.49 2h6l s SER 48 Ca -0.02 -0.67 -0.28 0.00 0.48 0.00 0.00 55.95 55.46 2h6l s SER 48 Cb 0.09 0.64 0.09 0.00 0.10 0.00 0.00 66.02 66.94 2h6l s SER 48 CO 0.81 -1.22 1.03 0.00 0.98 0.00 0.00 173.24 174.84 2h6l s ALA 49 N -3.07 -1.85 -0.14 5.32 0.00 -0.29 -1.92 121.76 119.80 2h6l s ALA 49 Ca 0.14 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 2h6l s ALA 49 Cb -0.04 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.59 2h6l s ALA 49 CO 0.06 -0.92 0.04 0.08 0.00 0.00 0.00 175.76 175.02 2h6l s VAL 50 N -2.99 0.31 0.00 0.00 1.01 0.12 -1.27 120.40 117.58 2h6l s VAL 50 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2h6l s VAL 50 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2h6l s VAL 50 CO -0.02 -0.05 0.00 2.30 0.00 0.00 0.00 175.10 177.32 2h6l n ILE 51 N 5.14 0.00 0.00 2.22 -5.35 -0.73 -0.75 119.36 119.90 2h6l n ILE 51 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2h6l n ILE 51 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 2h6l n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2h6l n GLY 52 N 4.77 0.43 3.30 3.28 0.00 -0.67 -0.08 105.19 116.22 2h6l n GLY 52 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 2h6l n GLY 52 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h6l s TYR 53 N -2.00 1.60 -0.28 1.61 -0.85 -0.12 -0.49 117.35 116.82 2h6l s TYR 53 Ca 0.00 -0.55 -0.14 0.00 -0.52 0.00 0.00 57.07 55.86 2h6l s TYR 53 Cb 0.00 -0.79 -0.04 0.00 0.38 0.00 0.00 41.96 41.51 2h6l s TYR 53 CO 0.00 0.26 0.31 -0.47 -1.52 0.00 0.00 175.55 174.13 2h6l s TYR 54 N -2.45 3.23 -0.37 -3.49 5.04 -1.26 0.14 117.35 118.19 2h6l s TYR 54 Ca 0.15 0.25 -0.29 0.00 -2.44 0.00 0.00 57.07 54.75 2h6l s TYR 54 Cb -0.03 -2.52 0.01 0.00 0.35 0.00 0.00 41.96 39.76 2h6l s TYR 54 CO 0.05 -0.23 1.36 0.34 -1.34 0.00 0.00 175.55 175.72 2h6l s ASP 55 N 1.69 6.48 0.00 4.32 -1.08 -0.23 -4.86 116.67 122.99 2h6l s ASP 55 Ca 0.12 0.95 0.18 0.00 -0.52 0.00 0.00 52.55 53.28 2h6l s ASP 55 Cb -0.16 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.52 2h6l s ASP 55 CO 0.11 -1.29 1.57 0.00 0.52 0.00 0.00 175.17 176.07 2h6l n GLN 56 N 7.78 0.00 -0.10 4.34 6.02 -1.26 -0.89 117.38 133.27 2h6l n GLN 56 Ca 0.16 0.19 -0.14 0.00 -0.01 0.00 0.00 57.00 57.20 2h6l n GLN 56 Cb 0.47 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 2h6l n GLN 56 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2h6l n GLU 57 N -1.50 0.54 0.19 -1.09 4.71 -1.26 -4.37 120.64 117.86 2h6l n GLU 57 Ca 0.04 0.28 0.14 0.00 -0.01 0.00 0.00 57.16 57.62 2h6l n GLU 57 Cb 0.21 -1.50 0.58 0.00 -1.01 0.00 0.00 31.44 29.72 2h6l n GLU 57 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2h6l h LYS 58 N -1.00 0.00 -5.66 3.49 1.57 -1.98 -3.47 116.57 109.52 2h6l h LYS 58 Ca -0.19 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.27 2h6l h LYS 58 Cb 1.10 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.57 2h6l h LYS 58 CO -0.11 0.00 -0.81 1.63 -0.57 0.00 0.00 179.45 179.59 2h6l n LYS 59 N -2.57 -4.92 -3.67 3.15 5.02 -0.07 -5.03 118.16 110.08 2h6l n LYS 59 Ca 0.01 0.82 -0.14 0.00 -2.02 0.00 0.00 58.31 56.98 2h6l n LYS 59 Cb 0.25 -5.72 -0.07 0.00 -0.02 0.00 0.00 35.03 29.47 2h6l n LYS 59 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2h6l s GLU 60 N -5.15 0.86 0.48 1.97 -1.05 -1.15 -4.95 118.70 109.72 2h6l s GLU 60 Ca 0.16 -0.16 -0.18 0.00 -0.15 0.00 0.00 54.97 54.63 2h6l s GLU 60 Cb -0.02 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.97 2h6l s GLU 60 CO 0.75 -0.27 0.97 0.71 0.95 0.00 0.00 175.26 178.37 2h6l s TYR 61 N -1.77 3.40 -0.22 4.83 2.02 -1.26 -1.07 117.35 123.28 2h6l s TYR 61 Ca -0.10 1.52 0.01 0.00 -0.37 0.00 0.00 57.07 58.14 2h6l s TYR 61 Cb -0.02 -2.82 0.05 0.00 -0.40 0.00 0.00 41.96 38.77 2h6l s TYR 61 CO 0.03 -0.28 -0.10 0.08 -1.57 0.00 0.00 175.55 173.71 2h6l s VAL 62 N -2.46 1.73 0.46 0.71 1.01 0.12 -4.89 120.40 117.08 2h6l s VAL 62 Ca 0.60 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2h6l s VAL 62 Cb -0.10 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 2h6l s VAL 62 CO 0.25 0.09 0.79 -0.54 0.00 0.00 0.00 175.10 175.69 2h6l s LYS 63 N 1.34 3.62 -0.03 2.72 1.02 -1.26 -0.95 119.74 126.19 2h6l s LYS 63 Ca -0.03 0.30 -0.01 0.00 0.02 0.00 0.00 55.97 56.25 2h6l s LYS 63 Cb -0.17 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.80 2h6l s LYS 63 CO -0.07 -0.16 0.06 0.21 -0.92 0.00 0.00 175.35 174.46 2h6l s LYS 64 N -4.47 -0.04 -0.01 1.68 2.20 0.88 -4.91 119.74 115.08 2h6l s LYS 64 Ca 0.49 0.28 -0.12 0.00 -0.36 0.00 0.00 55.97 56.26 2h6l s LYS 64 Cb -0.10 -0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 35.84 2h6l s LYS 64 CO 0.41 -0.23 0.35 -1.21 -0.36 0.00 0.00 175.35 174.32 2h6l s GLU 65 N 1.48 3.80 0.32 4.03 2.02 -1.26 -1.77 118.70 127.31 2h6l s GLU 65 Ca -0.04 0.26 0.03 0.00 0.02 0.00 0.00 54.97 55.24 2h6l s GLU 65 Cb -0.13 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 2h6l s GLU 65 CO -0.03 0.69 0.11 -0.51 0.02 0.00 0.00 175.26 175.53 2h6l s LEU 66 N -1.21 1.87 0.33 1.80 1.43 -0.39 -5.02 118.68 117.48 2h6l s LEU 66 Ca 0.24 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 2h6l s LEU 66 Cb -0.15 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 45.99 2h6l s LEU 66 CO 0.12 -0.77 0.00 1.21 0.23 0.00 0.00 176.35 177.14 2h6l n GLU 68 N -0.64 -2.85 -1.66 1.70 2.13 -1.25 -1.14 120.64 116.93 2h6l n GLU 68 Ca -0.02 2.12 -0.44 0.00 0.66 0.00 0.00 57.16 59.49 2h6l n GLU 68 Cb 0.66 -2.39 -0.02 0.00 0.27 0.00 0.00 31.44 29.96 2h6l n GLU 68 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2h6l n PRO 69 N -0.94 1.92 -3.91 5.31 -0.02 -1.12 -4.32 135.00 131.91 2h6l n PRO 69 Ca 0.00 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 2h6l n PRO 69 Cb 0.00 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 2h6l n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h6l s LEU 70 N -0.25 1.78 0.29 2.45 1.02 0.25 -4.97 118.68 119.26 2h6l s LEU 70 Ca 0.62 -0.35 -0.17 0.00 0.02 0.00 0.00 54.13 54.24 2h6l s LEU 70 Cb -0.64 0.52 -0.09 0.00 0.02 0.00 0.00 46.19 46.00 2h6l s LEU 70 CO 0.56 -0.38 0.75 -1.61 0.02 0.00 0.00 176.35 175.69 2h6l s GLU 71 N -1.68 4.13 -0.63 1.70 0.41 -0.80 -0.00 118.70 121.83 2h6l s GLU 71 Ca -0.13 0.79 -0.22 0.00 -0.41 0.00 0.00 54.97 55.00 2h6l s GLU 71 Cb -0.07 -2.59 0.07 0.00 -1.78 0.00 0.00 34.13 29.76 2h6l s GLU 71 CO -0.00 0.24 0.89 0.42 -0.49 0.00 0.00 175.26 176.32 2h6l s ILE 72 N -1.81 4.46 0.14 -1.63 1.01 0.15 -1.76 121.20 121.74 2h6l s ILE 72 Ca 0.50 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.84 2h6l s ILE 72 Cb -0.13 -4.61 -0.09 0.00 0.01 0.00 0.00 42.46 37.64 2h6l s ILE 72 CO 0.19 -1.32 1.44 -0.07 0.00 0.00 0.00 174.94 175.18 2h6l h LEU 73 N 10.95 0.00 -7.00 2.97 3.38 -0.92 -3.31 115.31 121.38 2h6l h LEU 73 Ca -0.29 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2h6l h LEU 73 Cb 1.08 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.59 2h6l h LEU 73 CO 1.14 0.77 0.22 -0.55 0.09 0.00 0.00 178.44 180.11 2h6l s SER 74 N -6.69 -0.70 -0.11 -0.43 0.15 -0.98 -4.95 113.70 99.98 2h6l s SER 74 Ca 0.01 1.17 -0.03 0.00 0.70 0.00 0.00 55.95 57.80 2h6l s SER 74 Cb 0.11 1.26 0.05 0.00 -1.71 0.00 0.00 66.02 65.73 2h6l s SER 74 CO 0.78 -0.19 0.11 -0.22 1.20 0.00 0.00 173.24 174.93 2h6l s LEU 75 N 1.16 0.11 0.01 3.45 0.20 -1.18 -0.88 118.68 121.55 2h6l s LEU 75 Ca -0.06 -0.10 -0.00 0.00 0.69 0.00 0.00 54.13 54.66 2h6l s LEU 75 Cb -0.05 0.00 -0.02 0.00 -0.43 0.00 0.00 46.19 45.70 2h6l s LEU 75 CO -0.13 -0.29 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.07 2h6l s SER 76 N 2.21 0.18 0.00 3.68 0.15 -0.69 -1.64 113.70 117.59 2h6l s SER 76 Ca 0.04 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2h6l s SER 76 Cb -0.14 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2h6l s SER 76 CO -0.07 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2h6l n GLY 77 N 1.88 0.57 3.27 9.45 0.00 -0.42 -1.00 105.19 118.95 2h6l n GLY 77 Ca -0.22 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 2h6l n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6l s ASN 78 N -0.19 0.12 -0.01 1.61 2.20 -0.78 0.23 114.94 118.12 2h6l s ASN 78 Ca 0.00 -0.90 0.06 0.00 -0.94 0.00 0.00 52.86 51.08 2h6l s ASN 78 Cb 0.00 0.39 -0.03 0.00 -2.00 0.00 0.00 41.25 39.61 2h6l s ASN 78 CO 0.00 -0.83 -0.18 -0.69 -2.94 0.00 0.00 177.10 172.47 2h6l s VAL 79 N -3.96 2.80 0.00 3.54 1.01 0.95 -1.78 120.40 122.95 2h6l s VAL 79 Ca 0.16 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2h6l s VAL 79 Cb 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2h6l s VAL 79 CO -0.02 0.48 0.00 -1.54 0.00 0.00 0.00 175.10 174.02 2h6l n SER 80 N 2.00 0.00 0.00 3.32 3.41 -0.81 -2.60 113.62 118.94 2h6l n SER 80 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2h6l n SER 80 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2h6l n SER 80 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2h6l n LYS 82 N 0.00 0.00 -3.86 4.33 4.81 -1.08 0.70 118.16 123.06 2h6l n LYS 82 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2h6l n LYS 82 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 2h6l n LYS 82 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2h6l n ASP 83 N 0.00 -4.94 -3.10 3.14 8.00 -1.26 -2.26 116.55 116.12 2h6l n ASP 83 Ca 0.00 -0.74 -0.23 0.00 0.71 0.00 0.00 54.79 54.53 2h6l n ASP 83 Cb 0.00 -4.06 0.03 0.00 -0.02 0.00 0.00 41.12 37.06 2h6l n ASP 83 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2h6l n SER 84 N -2.87 -5.54 -3.58 -2.24 3.41 -1.26 -4.99 113.62 96.55 2h6l n SER 84 Ca 0.03 -0.31 -0.16 0.00 -0.26 0.00 0.00 58.87 58.17 2h6l n SER 84 Cb 0.54 -4.49 -0.07 0.00 -0.26 0.00 0.00 64.21 59.92 2h6l n SER 84 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2h6l s LYS 85 N -5.78 0.94 -0.22 4.33 -2.85 -0.96 -5.12 119.74 110.08 2h6l s LYS 85 Ca 0.33 0.47 -0.39 0.00 -1.00 0.00 0.00 55.97 55.37 2h6l s LYS 85 Cb -0.15 0.45 -0.16 0.00 -2.06 0.00 0.00 37.83 35.91 2h6l s LYS 85 CO 0.40 -0.24 1.70 -0.35 0.10 0.00 0.00 175.35 176.96 2h6l n PRO 86 N 1.56 1.20 -5.01 1.78 -0.04 -1.26 -2.62 135.00 130.61 2h6l n PRO 86 Ca -0.17 0.44 -0.32 0.00 -0.04 0.00 0.00 63.50 63.40 2h6l n PRO 86 Cb 0.56 -2.12 -0.16 0.00 -0.04 0.00 0.00 33.50 31.74 2h6l n PRO 86 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2h6l s PHE 87 N 3.16 2.66 -0.07 0.54 5.36 0.22 -4.91 117.98 124.94 2h6l s PHE 87 Ca 0.96 -0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 55.85 2h6l s PHE 87 Cb -1.04 -1.77 -0.05 0.00 -0.34 0.00 0.00 43.02 39.82 2h6l s PHE 87 CO 0.63 -0.36 0.40 0.00 -1.46 0.00 0.00 175.22 174.42 2h6l s HIS 89 N -0.29 2.95 -0.01 0.00 2.46 -0.74 -5.02 115.29 114.64 2h6l s HIS 89 Ca 0.23 -2.25 0.05 0.00 0.47 0.00 0.00 55.06 53.56 2h6l s HIS 89 Cb -0.15 -2.04 -0.01 0.00 -0.13 0.00 0.00 32.58 30.24 2h6l s HIS 89 CO 0.10 -0.86 -0.16 0.42 -2.47 0.00 0.00 174.74 171.77 2h6l s ILE 90 N 1.20 1.25 0.05 0.89 1.01 -1.26 -1.87 121.20 122.47 2h6l s ILE 90 Ca -0.01 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2h6l s ILE 90 Cb -0.19 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2h6l s ILE 90 CO -0.08 0.33 -0.24 -1.00 0.00 0.00 0.00 174.94 173.95 2h6l s HIS 91 N -0.40 2.38 0.20 3.97 3.76 -0.17 -0.31 115.29 124.71 2h6l s HIS 91 Ca 0.06 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 2h6l s HIS 91 Cb -0.06 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 2h6l s HIS 91 CO -0.00 0.17 0.15 0.14 -0.85 0.00 0.00 174.74 174.35 2h6l s VAL 92 N -0.85 0.01 -0.09 -0.90 -7.23 -0.52 -1.71 120.40 109.11 2h6l s VAL 92 Ca 0.13 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2h6l s VAL 92 Cb -0.10 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.46 2h6l s VAL 92 CO 0.03 -0.05 0.00 -0.76 -0.31 0.00 0.00 175.10 174.01 2h6l s LEU 93 N -3.13 0.70 0.13 1.32 1.43 -0.06 -1.54 118.68 117.53 2h6l s LEU 93 Ca 0.36 -0.20 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 2h6l s LEU 93 Cb 0.06 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 2h6l s LEU 93 CO 0.10 -0.21 -0.24 -0.76 0.23 0.00 0.00 176.35 175.48 2h6l s LEU 94 N 1.94 2.33 0.00 1.79 1.02 -0.04 -0.28 118.68 125.44 2h6l s LEU 94 Ca 0.04 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.44 2h6l s LEU 94 Cb -0.13 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 45.02 2h6l s LEU 94 CO -0.06 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.03 2h6l n GLY 95 N 0.85 -0.02 3.64 -3.19 0.00 -0.73 -0.23 105.19 105.52 2h6l n GLY 95 Ca -0.18 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 2h6l n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h6l s LYS 96 N -2.00 0.64 7.07 1.61 -2.85 -0.08 -1.90 119.74 122.22 2h6l s LYS 96 Ca 0.00 1.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 2h6l s LYS 96 Cb 0.00 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2h6l s LYS 96 CO 0.00 -0.12 0.00 -0.25 0.10 0.00 0.00 175.35 175.08 2h6l n ASP 97 N 3.74 0.00 -0.67 0.03 8.00 -1.26 -0.81 116.55 125.58 2h6l n ASP 97 Ca -0.18 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.44 2h6l n ASP 97 Cb 0.58 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 42.05 2h6l n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h6l n GLY 98 N 0.00 0.46 3.40 0.44 0.00 -1.26 -4.70 105.19 103.52 2h6l n GLY 98 Ca 0.00 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 2h6l n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h6l s GLU 99 N -1.90 3.38 -0.03 1.61 2.12 0.01 -5.01 118.70 118.87 2h6l s GLU 99 Ca 0.35 -1.70 0.07 0.00 0.36 0.00 0.00 54.97 54.04 2h6l s GLU 99 Cb 0.20 -4.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.04 2h6l s GLU 99 CO 0.31 -1.59 -0.24 0.08 -0.54 0.00 0.00 175.26 173.28 2h6l s VAL 100 N 2.23 1.89 0.17 3.70 1.01 -1.26 -0.90 120.40 127.23 2h6l s VAL 100 Ca 0.21 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2h6l s VAL 100 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2h6l s VAL 100 CO -0.03 0.53 -0.17 -0.31 0.00 0.00 0.00 175.10 175.12 2h6l s TYR 101 N -0.39 1.77 0.10 5.22 2.02 0.68 -4.99 117.35 121.75 2h6l s TYR 101 Ca 0.04 -0.49 -0.24 0.00 -0.37 0.00 0.00 57.07 56.02 2h6l s TYR 101 Cb -0.11 -0.88 0.06 0.00 -0.40 0.00 0.00 41.96 40.64 2h6l s TYR 101 CO 0.01 0.32 0.58 0.20 -1.57 0.00 0.00 175.55 175.08 2h6l s GLY 102 N -2.72 -0.54 0.00 0.71 0.00 -1.26 -0.87 107.32 102.64 2h6l s GLY 102 Ca 0.16 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2h6l s GLY 102 CO 0.06 0.28 0.00 0.61 0.00 0.00 0.00 173.10 174.06 2h6l n GLY 103 N 0.03 -1.05 3.72 0.20 0.00 -0.59 -4.74 105.19 102.76 2h6l n GLY 103 Ca -0.18 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2h6l n GLY 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2h6l s HIS 104 N -2.73 3.17 -0.13 1.61 5.65 0.36 -1.43 115.29 121.79 2h6l s HIS 104 Ca 0.00 0.91 -0.21 0.00 0.25 0.00 0.00 55.06 56.01 2h6l s HIS 104 Cb 0.00 -3.75 -0.03 0.00 -1.18 0.00 0.00 32.58 27.62 2h6l s HIS 104 CO 0.00 -2.62 0.61 -1.17 -0.65 0.00 0.00 174.74 170.91 2h6l s LEU 105 N 0.78 4.24 -0.21 8.88 2.96 0.57 -1.67 118.68 134.24 2h6l s LEU 105 Ca 0.64 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 55.49 2h6l s LEU 105 Cb -0.39 -2.89 -0.13 0.00 0.50 0.00 0.00 46.19 43.28 2h6l s LEU 105 CO 0.33 -0.14 -0.20 0.49 -1.32 0.00 0.00 176.35 175.51 2h6l n PHE 106 N 4.26 0.00 -3.53 5.38 3.72 0.08 -4.66 117.46 122.69 2h6l n PHE 106 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.28 2h6l n PHE 106 Cb 0.51 -0.79 -0.03 0.00 -0.94 0.00 0.00 39.48 38.23 2h6l n PHE 106 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2h6l s SER 107 N -6.13 -0.35 -0.28 4.37 1.04 -0.93 -4.91 113.70 106.51 2h6l s SER 107 Ca -0.28 0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.11 2h6l s SER 107 Cb 0.08 0.34 0.09 0.00 0.10 0.00 0.00 66.02 66.63 2h6l s SER 107 CO 0.46 -0.51 0.75 0.00 0.98 0.00 0.00 173.24 174.93 2h6l s ALA 108 N -2.45 -1.94 -0.15 5.32 0.00 -1.26 0.13 121.76 121.41 2h6l s ALA 108 Ca 0.03 2.34 -0.28 0.00 0.00 0.00 0.00 51.96 54.06 2h6l s ALA 108 Cb -0.01 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 2h6l s ALA 108 CO -0.05 -0.37 0.95 -2.00 0.00 0.00 0.00 175.76 174.29 2h6l s GLU 109 N 1.45 4.35 0.20 0.00 2.12 -0.81 0.30 118.70 126.31 2h6l s GLU 109 Ca -0.09 1.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.19 2h6l s GLU 109 Cb -0.05 -3.57 -0.08 0.00 0.26 0.00 0.00 34.13 30.69 2h6l s GLU 109 CO -0.17 -0.36 1.19 0.08 -0.54 0.00 0.00 175.26 175.45 2h6l s VAL 110 N 2.23 3.53 -0.17 3.70 1.01 -0.26 -0.81 120.40 129.63 2h6l s VAL 110 Ca 0.44 1.33 -0.14 0.00 0.00 0.00 0.00 61.98 63.60 2h6l s VAL 110 Cb -0.17 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 2h6l s VAL 110 CO 0.14 0.23 -0.30 0.33 0.00 0.00 0.00 175.10 175.50 2h6l n PHE 111 N 2.28 0.00 -3.66 5.22 7.35 -0.60 -0.30 117.46 127.75 2h6l n PHE 111 Ca 0.03 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.67 2h6l n PHE 111 Cb 0.45 -0.57 -0.07 0.00 0.35 0.00 0.00 39.48 39.63 2h6l n PHE 111 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2h6l s ALA 112 N -2.66 -1.53 -0.02 3.13 0.00 -0.98 -4.54 121.76 115.17 2h6l s ALA 112 Ca -0.28 1.88 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2h6l s ALA 112 Cb 0.07 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.73 2h6l s ALA 112 CO 0.38 -0.78 0.02 0.00 0.00 0.00 0.00 175.76 175.39 2h6l s GLU 114 N 0.91 2.80 -0.10 0.00 2.02 -0.89 -1.13 118.70 122.30 2h6l s GLU 114 Ca -0.08 -0.99 -0.02 0.00 0.02 0.00 0.00 54.97 53.90 2h6l s GLU 114 Cb -0.11 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 2h6l s GLU 114 CO -0.02 -0.40 -0.04 0.08 0.02 0.00 0.00 175.26 174.90 2h6l s VAL 115 N 1.30 3.94 -0.21 2.63 1.01 -0.29 -2.56 120.40 126.23 2h6l s VAL 115 Ca -0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2h6l s VAL 115 Cb -0.17 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2h6l s VAL 115 CO -0.05 0.56 0.06 0.12 0.00 0.00 0.00 175.10 175.79 2h6l s PHE 116 N -0.40 3.16 -0.15 5.22 5.36 0.15 -0.40 117.98 130.92 2h6l s PHE 116 Ca 0.07 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 2h6l s PHE 116 Cb -0.12 -2.13 0.02 0.00 -0.34 0.00 0.00 43.02 40.44 2h6l s PHE 116 CO 0.02 -0.06 -0.19 0.08 -1.46 0.00 0.00 175.22 173.61 2h6l s VAL 117 N 0.86 1.90 -0.49 3.12 1.01 0.55 -2.13 120.40 125.22 2h6l s VAL 117 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2h6l s VAL 117 Cb -0.14 -1.71 0.13 0.00 0.00 0.00 0.00 36.38 34.66 2h6l s VAL 117 CO 0.02 0.52 0.28 -0.22 0.00 0.00 0.00 175.10 175.70 2h6l s LEU 118 N 1.12 5.20 0.51 3.92 2.96 -0.73 -1.29 118.68 130.37 2h6l s LEU 118 Ca -0.01 -2.36 -0.22 0.00 -0.22 0.00 0.00 54.13 51.32 2h6l s LEU 118 Cb -0.14 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 2h6l s LEU 118 CO -0.07 -0.47 1.20 -2.16 -1.32 0.00 0.00 176.35 173.53 2h6l s PRO 119 N 0.66 3.48 -0.21 0.98 0.04 -1.26 -1.18 135.00 137.51 2h6l s PRO 119 Ca 0.12 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2h6l s PRO 119 Cb -0.22 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.09 2h6l s PRO 119 CO -0.04 -0.81 -0.14 -0.51 0.04 0.00 0.00 177.00 175.54 2h6l s LEU 120 N -3.37 2.57 -0.34 -3.56 1.43 0.17 -4.57 118.68 111.01 2h6l s LEU 120 Ca 0.68 -0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2h6l s LEU 120 Cb -0.30 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2h6l s LEU 120 CO 0.36 -0.05 0.81 -0.55 0.23 0.00 0.00 176.35 177.15 2h6l s SER 121 N 1.30 6.62 0.00 2.29 0.15 -0.58 -4.39 113.70 119.09 2h6l s SER 121 Ca 0.03 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2h6l s SER 121 Cb -0.15 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2h6l s SER 121 CO -0.09 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2h6l n GLY 122 N 4.36 -1.54 3.64 9.45 0.00 -1.26 -1.30 105.19 118.54 2h6l n GLY 122 Ca 0.04 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 2h6l n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h6l s GLU 123 N -1.83 3.86 0.18 1.61 0.41 -1.26 -4.95 118.70 116.72 2h6l s GLU 123 Ca 0.00 1.79 -0.30 0.00 -0.41 0.00 0.00 54.97 56.05 2h6l s GLU 123 Cb 0.00 -4.03 -0.08 0.00 -1.78 0.00 0.00 34.13 28.23 2h6l s GLU 123 CO 0.00 -1.22 1.28 0.00 -0.49 0.00 0.00 175.26 174.83 2h6l s ALA 124 N 5.04 3.50 0.39 5.21 0.00 -1.26 -4.85 121.76 129.79 2h6l s ALA 124 Ca 0.73 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 53.49 2h6l s ALA 124 Cb -0.27 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 2h6l s ALA 124 CO 0.29 -0.50 1.18 -1.25 0.00 0.00 0.00 175.76 175.48 2h6l s PRO 125 N 0.01 4.10 -0.10 0.00 0.04 -1.26 -4.90 135.00 132.89 2h6l s PRO 125 Ca 0.56 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 2h6l s PRO 125 Cb -0.35 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2h6l s PRO 125 CO 0.37 -0.29 -0.06 -1.21 0.04 0.00 0.00 177.00 175.84 2h6l s GLU 126 N -2.23 3.07 -0.17 4.56 2.02 -1.26 -4.72 118.70 119.97 2h6l s GLU 126 Ca 0.56 -0.55 -0.20 0.00 0.02 0.00 0.00 54.97 54.80 2h6l s GLU 126 Cb -0.31 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 2h6l s GLU 126 CO 0.40 0.50 0.56 1.03 0.02 0.00 0.00 175.26 177.77 2h6l s ARG 127 N -0.37 4.25 0.09 1.61 0.52 -1.26 -0.48 118.95 123.31 2h6l s ARG 127 Ca 0.05 0.52 0.05 0.00 -0.52 0.00 0.00 55.73 55.83 2h6l s ARG 127 Cb -0.12 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 2h6l s ARG 127 CO 0.02 -0.10 -0.12 0.00 0.02 0.00 0.00 175.30 175.12 2h6l s ALA 128 N 1.45 1.20 0.26 2.13 0.00 0.60 -4.75 121.76 122.64 2h6l s ALA 128 Ca 0.27 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 2h6l s ALA 128 Cb -0.16 -0.04 -0.12 0.00 0.00 0.00 0.00 23.12 22.80 2h6l s ALA 128 CO 0.11 0.06 1.56 0.34 0.00 0.00 0.00 175.76 177.83 2h6l n PHE 129 N 0.83 2.59 -4.03 0.00 7.35 -1.26 -1.10 117.46 121.84 2h6l n PHE 129 Ca -0.18 0.28 -0.33 0.00 -0.76 0.00 0.00 57.45 56.45 2h6l n PHE 129 Cb 0.56 -2.56 -0.15 0.00 0.35 0.00 0.00 39.48 37.68 2h6l n PHE 129 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2h6l s ASP 130 N 0.56 4.02 0.22 -2.13 2.15 0.06 -4.85 116.67 116.70 2h6l s ASP 130 Ca 0.68 -0.93 -0.08 0.00 0.43 0.00 0.00 52.55 52.65 2h6l s ASP 130 Cb -0.56 -1.59 0.32 0.00 -0.30 0.00 0.00 42.92 40.80 2h6l s ASP 130 CO 0.46 -0.11 1.76 -0.08 -0.17 0.00 0.00 175.17 177.03 2h6l h GLU 131 N 7.94 0.50 -0.56 4.34 4.57 -1.93 0.21 114.58 129.64 2h6l h GLU 131 Ca -0.33 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 57.90 2h6l h GLU 131 Cb 1.10 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 2h6l h GLU 131 CO 0.57 0.33 0.21 0.37 -1.18 0.00 0.00 179.01 179.30 2h6l h GLN 132 N 0.51 0.38 0.00 1.92 4.15 -1.96 -3.29 115.11 116.83 2h6l h GLN 132 Ca 0.34 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.60 2h6l h GLN 132 Cb 0.39 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2h6l h GLN 132 CO -0.29 0.25 -1.90 0.25 -1.93 0.00 0.00 178.83 175.21 2h6l n THR 133 N -4.99 0.50 -0.54 2.39 -2.24 -1.14 -4.99 114.28 103.27 2h6l n THR 133 Ca 0.07 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2h6l n THR 133 Cb 0.24 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2h6l n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h6l n GLY 134 N 1.79 0.83 4.00 3.38 0.00 0.72 -4.82 105.19 111.08 2h6l n GLY 134 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2h6l n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h6l s LEU 135 N 0.00 3.22 -0.53 0.99 2.01 -1.25 -4.81 118.68 118.30 2h6l s LEU 135 Ca 0.00 -0.35 -0.13 0.00 0.01 0.00 0.00 54.13 53.66 2h6l s LEU 135 Cb 0.00 -2.33 0.13 0.00 0.01 0.00 0.00 46.19 44.01 2h6l s LEU 135 CO 0.00 -1.33 0.45 -0.36 1.01 0.00 0.00 176.35 176.12 2h6l s PHE 136 N -2.79 3.36 0.36 0.29 0.40 -1.26 -0.76 117.98 117.58 2h6l s PHE 136 Ca 0.60 -1.61 0.07 0.00 -0.60 0.00 0.00 56.93 55.39 2h6l s PHE 136 Cb -0.08 -3.66 -0.01 0.00 0.51 0.00 0.00 43.02 39.78 2h6l s PHE 136 CO 0.39 -1.00 0.46 -0.51 0.70 0.00 0.00 175.22 175.26 2h6l s LEU 137 N 1.37 3.81 0.46 -0.37 1.43 -0.26 -4.54 118.68 120.58 2h6l s LEU 137 Ca 0.05 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.60 2h6l s LEU 137 Cb -0.27 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.26 2h6l s LEU 137 CO 0.01 -0.51 1.23 0.26 0.23 0.00 0.00 176.35 177.57 2h6l s TRP 138 N -2.25 2.76 0.06 0.29 0.51 -1.26 -0.30 118.94 118.77 2h6l s TRP 138 Ca 0.47 1.48 0.00 0.00 -2.12 0.00 0.00 56.10 55.93 2h6l s TRP 138 Cb -0.09 -3.53 0.00 0.00 -0.81 0.00 0.00 33.47 29.05 2h6l s TRP 138 CO 0.31 -1.89 0.00 -0.11 -0.51 0.00 0.00 176.95 174.75 2h6l n LEU 139 N -0.41 0.72 0.00 2.99 7.94 0.37 -4.85 117.00 123.76 2h6l n LEU 139 Ca 0.07 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2h6l n LEU 139 Cb 0.46 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.19 2h6l n LEU 139 CO 0.51 -0.67 0.00 1.21 -1.11 0.00 0.00 177.39 177.33