#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 2.20 -0.18 -0.18 1.01 -1.26 -5.10 120.40 116.88 2h6l s VAL 3 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2h6l s VAL 3 Cb 0.00 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.55 2h6l s VAL 3 CO 0.00 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.12 2h6l s PHE 4 N 0.47 2.69 -0.05 5.22 0.40 -1.26 -5.12 117.98 120.34 2h6l s PHE 4 Ca -0.15 -1.63 -0.08 0.00 -0.60 0.00 0.00 56.93 54.47 2h6l s PHE 4 Cb -0.17 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 2h6l s PHE 4 CO 0.06 -0.79 0.23 -2.00 0.70 0.00 0.00 175.22 173.43 2h6l s GLU 5 N 1.31 3.58 0.26 0.44 2.12 -1.26 -5.10 118.70 120.06 2h6l s GLU 5 Ca 0.03 -0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.32 2h6l s GLU 5 Cb -0.14 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2h6l s GLU 5 CO -0.12 0.72 0.32 -0.06 -0.54 0.00 0.00 175.26 175.58 2h6l s PHE 6 N -1.14 1.02 0.05 5.30 0.40 -1.26 -4.34 117.98 118.00 2h6l s PHE 6 Ca 0.21 -1.23 0.08 0.00 -0.60 0.00 0.00 56.93 55.39 2h6l s PHE 6 Cb -0.13 -0.28 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 2h6l s PHE 6 CO 0.10 -0.88 -0.23 -1.21 0.70 0.00 0.00 175.22 173.70 2h6l s GLU 7 N -3.76 1.57 0.12 0.44 2.02 -0.60 -4.93 118.70 113.56 2h6l s GLU 7 Ca 0.33 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 54.34 2h6l s GLU 7 Cb 0.03 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 2h6l s GLU 7 CO 0.15 0.44 0.09 0.14 0.02 0.00 0.00 175.26 176.11 2h6l s VAL 8 N -0.80 4.45 0.40 2.63 -7.23 -1.26 -1.68 120.40 116.90 2h6l s VAL 8 Ca 0.09 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 2h6l s VAL 8 Cb -0.09 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.65 2h6l s VAL 8 CO 0.02 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 2h6l n GLY 9 N 0.14 -1.31 3.96 2.32 0.00 -1.26 -5.03 105.19 104.02 2h6l n GLY 9 Ca -0.09 0.24 -0.22 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 2.64 -0.09 1.61 3.01 -1.26 -5.12 119.74 118.53 2h6l s LYS 10 Ca 0.00 -0.66 -0.15 0.00 -1.01 0.00 0.00 55.97 54.15 2h6l s LYS 10 Cb 0.00 -2.47 0.03 0.00 -1.01 0.00 0.00 37.83 34.38 2h6l s LYS 10 CO 0.00 -0.66 0.37 0.20 0.51 0.00 0.00 175.35 175.77 2h6l s GLY 11 N -4.38 -0.25 -0.01 -3.33 0.00 -1.26 -4.30 107.32 93.78 2h6l s GLY 11 Ca 0.55 0.81 0.02 0.00 0.00 0.00 0.00 44.72 46.10 2h6l s GLY 11 CO 0.39 0.63 -0.05 -1.36 0.00 0.00 0.00 173.10 172.71 2h6l s PHE 12 N -0.46 0.53 -0.11 1.90 0.08 -0.41 -5.00 117.98 114.52 2h6l s PHE 12 Ca -0.06 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 56.91 2h6l s PHE 12 Cb -0.04 -0.39 -0.00 0.00 -0.57 0.00 0.00 43.02 42.02 2h6l s PHE 12 CO 0.02 -0.05 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.38 2h6l s LEU 13 N 0.14 2.26 0.06 -0.37 1.43 -1.26 -0.20 118.68 120.75 2h6l s LEU 13 Ca -0.01 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2h6l s LEU 13 Cb -0.05 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 2h6l s LEU 13 CO -0.00 0.16 -0.21 -0.76 0.23 0.00 0.00 176.35 175.77 2h6l s LEU 14 N 0.36 2.20 -0.36 1.79 1.43 0.08 -4.94 118.68 119.24 2h6l s LEU 14 Ca -0.16 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 2h6l s LEU 14 Cb -0.17 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.13 2h6l s LEU 14 CO 0.08 0.13 0.15 -0.60 0.23 0.00 0.00 176.35 176.34 2h6l s ARG 15 N -1.39 2.62 0.70 1.70 3.52 -1.26 -1.51 118.95 123.34 2h6l s ARG 15 Ca 0.07 -1.23 -0.12 0.00 -0.13 0.00 0.00 55.73 54.32 2h6l s ARG 15 Cb -0.09 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 2h6l s ARG 15 CO 0.02 -0.73 1.07 -0.51 -0.81 0.00 0.00 175.30 174.35 2h6l s LEU 16 N 1.42 3.18 0.13 -0.88 1.02 -0.67 -5.02 118.68 117.86 2h6l s LEU 16 Ca -0.00 1.74 -0.27 0.00 0.02 0.00 0.00 54.13 55.63 2h6l s LEU 16 Cb -0.20 -4.51 -0.07 0.00 0.02 0.00 0.00 46.19 41.42 2h6l s LEU 16 CO 0.03 -1.59 0.82 -1.81 0.02 0.00 0.00 176.35 173.82 2h6l s ASP 17 N -3.41 7.39 0.37 2.29 1.01 -1.26 -4.58 116.67 118.48 2h6l s ASP 17 Ca 0.61 1.65 -0.28 0.00 0.71 0.00 0.00 52.55 55.24 2h6l s ASP 17 Cb -0.16 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.15 2h6l s ASP 17 CO 0.51 0.10 1.42 -0.47 0.21 0.00 0.00 175.17 176.94 2h6l s TYR 18 N -0.66 2.73 0.00 4.23 6.14 -1.26 -3.03 117.35 125.51 2h6l s TYR 18 Ca 0.39 1.26 0.00 0.00 0.64 0.00 0.00 57.07 59.36 2h6l s TYR 18 Cb -0.23 -3.89 0.00 0.00 0.42 0.00 0.00 41.96 38.26 2h6l s TYR 18 CO 0.27 -2.59 0.00 0.41 0.64 0.00 0.00 175.55 174.28 2h6l n GLY 19 N 0.58 1.39 3.77 8.97 0.00 0.71 -4.96 105.19 115.66 2h6l n GLY 19 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.04 2.76 0.22 1.61 -0.14 -1.17 -4.75 119.74 118.23 2h6l s LYS 20 Ca 0.00 -1.09 -0.31 0.00 -1.36 0.00 0.00 55.97 53.21 2h6l s LYS 20 Cb 0.00 -2.48 -0.10 0.00 -1.68 0.00 0.00 37.83 33.56 2h6l s LYS 20 CO 0.00 0.41 1.49 0.34 -0.76 0.00 0.00 175.35 176.84 2h6l s ASP 21 N -3.60 6.61 0.06 2.83 2.15 -1.26 -1.34 116.67 122.13 2h6l s ASP 21 Ca 0.32 2.66 -0.28 0.00 0.43 0.00 0.00 52.55 55.68 2h6l s ASP 21 Cb -0.08 -2.61 -0.17 0.00 -0.30 0.00 0.00 42.92 39.75 2h6l s ASP 21 CO 0.23 -0.76 1.57 0.25 -0.17 0.00 0.00 175.17 176.30 2h6l h LEU 22 N 5.64 -0.43 -0.35 -1.34 6.46 -0.26 -2.11 115.31 122.92 2h6l h LEU 22 Ca -0.45 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.28 2h6l h LEU 22 Cb 1.21 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 2h6l h LEU 22 CO 0.83 -0.24 0.23 0.58 -0.62 0.00 0.00 178.44 179.21 2h6l h VAL 23 N -0.59 1.08 -0.88 1.05 2.07 -1.90 -2.84 116.25 114.23 2h6l h VAL 23 Ca -0.05 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2h6l h VAL 23 Cb 0.44 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2h6l h VAL 23 CO 0.08 0.09 0.57 0.03 0.02 0.00 0.00 177.57 178.36 2h6l h ARG 24 N 0.47 1.06 -0.41 1.57 2.47 -1.93 -1.54 114.38 116.08 2h6l h ARG 24 Ca 0.13 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2h6l h ARG 24 Cb -0.04 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.02 2h6l h ARG 24 CO -0.04 0.70 0.15 1.96 0.56 0.00 0.00 179.97 183.30 2h6l h GLN 25 N 1.09 0.62 -0.23 0.04 4.20 -1.21 -1.01 115.11 118.62 2h6l h GLN 25 Ca 0.36 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2h6l h GLN 25 Cb 0.03 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2h6l h GLN 25 CO -0.13 0.60 0.13 0.82 -0.67 0.00 0.00 178.83 179.58 2h6l h ILE 26 N 0.51 1.10 -0.61 2.54 2.04 -1.26 -1.44 117.51 120.39 2h6l h ILE 26 Ca 0.13 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2h6l h ILE 26 Cb 0.22 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2h6l h ILE 26 CO -0.01 0.10 0.40 -0.33 0.00 0.00 0.00 178.15 178.31 2h6l h GLU 27 N 0.27 0.62 -0.44 2.37 5.08 -1.07 -0.01 114.58 121.40 2h6l h GLU 27 Ca 0.08 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2h6l h GLU 27 Cb 0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2h6l h GLU 27 CO -0.01 0.41 -0.18 0.93 -1.00 0.00 0.00 179.01 179.16 2h6l h GLU 28 N 0.64 0.90 -0.26 2.33 5.08 -0.63 -1.97 114.58 120.66 2h6l h GLU 28 Ca 0.25 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2h6l h GLU 28 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2h6l h GLU 28 CO -0.07 1.03 0.17 0.35 -1.00 0.00 0.00 179.01 179.48 2h6l h PHE 29 N 0.73 0.31 -0.63 4.33 3.57 -0.10 -1.76 116.94 123.39 2h6l h PHE 29 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2h6l h PHE 29 Cb 0.74 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2h6l h PHE 29 CO 0.05 0.19 0.40 -0.07 -2.23 0.00 0.00 178.31 176.66 2h6l h LEU 30 N 0.34 0.67 -0.65 0.59 3.38 -0.93 -1.30 115.31 117.41 2h6l h LEU 30 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2h6l h LEU 30 Cb -0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2h6l h LEU 30 CO -0.03 0.48 0.34 -0.33 0.09 0.00 0.00 178.44 178.98 2h6l h GLU 31 N 0.80 0.91 -0.75 1.13 4.39 -1.15 0.63 114.58 120.54 2h6l h GLU 31 Ca 0.24 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 2h6l h GLU 31 Cb -0.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 2h6l h GLU 31 CO -0.08 0.71 0.35 1.49 -1.16 0.00 0.00 179.01 180.32 2h6l h GLU 32 N 0.89 1.09 0.00 2.33 4.81 -0.86 -2.76 114.58 120.08 2h6l h GLU 32 Ca 0.23 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2h6l h GLU 32 Cb 0.07 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2h6l h GLU 32 CO -0.03 0.86 -0.57 1.63 -0.73 0.00 0.00 179.01 180.16 2h6l n LYS 33 N -4.38 0.15 -2.69 1.92 4.76 -0.53 -4.96 118.16 112.43 2h6l n LYS 33 Ca 0.07 0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 2h6l n LYS 33 Cb 0.14 -1.59 0.02 0.00 -1.84 0.00 0.00 35.03 31.76 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 1.42 0.18 3.64 0.72 0.00 0.21 -5.00 105.19 106.36 2h6l n GLY 34 Ca 0.04 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.89 4.95 -0.50 -0.61 -1.09 -0.31 -4.93 121.20 115.83 2h6l s ILE 35 Ca 0.16 1.28 0.14 0.00 -2.23 0.00 0.00 60.65 60.01 2h6l s ILE 35 Cb -0.07 -3.99 -0.18 0.00 -1.58 0.00 0.00 42.46 36.64 2h6l s ILE 35 CO 0.20 0.02 0.53 1.41 -1.23 0.00 0.00 174.94 175.87 2h6l n HIS 36 N 5.63 0.00 -3.75 3.97 8.25 -1.26 -4.69 115.22 123.37 2h6l n HIS 36 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2h6l n HIS 36 Cb 0.49 -0.09 -0.13 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.53 -0.51 0.02 -1.41 0.00 -1.26 -3.28 121.76 112.79 2h6l s ALA 37 Ca 0.02 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 2h6l s ALA 37 Cb 0.10 -0.52 0.10 0.00 0.00 0.00 0.00 23.12 22.80 2h6l s ALA 37 CO 0.59 -0.16 1.09 0.00 0.00 0.00 0.00 175.76 177.28 2h6l s ALA 38 N 0.88 -1.93 -0.08 0.00 0.00 -1.05 0.15 121.76 119.73 2h6l s ALA 38 Ca -0.06 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 2h6l s ALA 38 Cb -0.08 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 2h6l s ALA 38 CO -0.05 -0.92 -0.02 -1.58 0.00 0.00 0.00 175.76 173.19 2h6l s HIS 39 N -2.85 3.08 0.01 0.00 5.65 -0.56 -0.61 115.29 120.02 2h6l s HIS 39 Ca 0.11 0.11 0.07 0.00 0.25 0.00 0.00 55.06 55.60 2h6l s HIS 39 Cb 0.01 -1.78 -0.02 0.00 -1.18 0.00 0.00 32.58 29.61 2h6l s HIS 39 CO -0.03 0.40 -0.21 0.42 -0.65 0.00 0.00 174.74 174.67 2h6l s ILE 40 N -0.78 1.68 -0.06 0.89 1.01 0.92 -1.53 121.20 123.33 2h6l s ILE 40 Ca 0.12 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 2h6l s ILE 40 Cb -0.11 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 40.96 2h6l s ILE 40 CO 0.02 0.35 0.31 -0.55 0.00 0.00 0.00 174.94 175.07 2h6l s SER 41 N -0.83 -0.25 0.14 3.58 0.15 -0.84 -1.18 113.70 114.47 2h6l s SER 41 Ca 0.08 0.32 -0.23 0.00 0.70 0.00 0.00 55.95 56.81 2h6l s SER 41 Cb -0.08 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 64.75 2h6l s SER 41 CO 0.00 -0.31 0.59 0.00 1.20 0.00 0.00 173.24 174.72 2h6l s ALA 42 N -0.71 -1.55 0.18 5.45 0.00 -0.80 0.44 121.76 124.79 2h6l s ALA 42 Ca -0.08 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 2h6l s ALA 42 Cb -0.04 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 2h6l s ALA 42 CO 0.03 -0.72 0.24 0.96 0.00 0.00 0.00 175.76 176.26 2h6l s ILE 43 N -3.51 0.04 -1.04 0.00 -4.36 -1.01 -3.17 121.20 108.15 2h6l s ILE 43 Ca 0.00 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 2h6l s ILE 43 Cb -0.01 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.57 2h6l s ILE 43 CO -0.11 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.50 2h6l n GLY 44 N -0.24 0.51 3.24 6.27 0.00 -1.24 -2.11 105.19 111.62 2h6l n GLY 44 Ca -0.03 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.05 -0.65 0.16 4.61 0.00 0.46 0.13 121.76 125.42 2h6l s ALA 45 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2h6l s ALA 45 Cb 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2h6l s ALA 45 CO 0.00 -0.41 -0.15 0.14 0.00 0.00 0.00 175.76 175.34 2h6l s VAL 46 N -2.55 1.57 -0.25 0.00 -7.23 0.48 -1.73 120.40 110.68 2h6l s VAL 46 Ca -0.05 -1.94 0.22 0.00 -1.81 0.00 0.00 61.98 58.40 2h6l s VAL 46 Cb -0.01 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.18 2h6l s VAL 46 CO -0.03 -0.47 1.11 0.03 -0.31 0.00 0.00 175.10 175.43 2h6l h ARG 47 N 3.11 0.00 -1.95 4.82 3.08 -1.37 0.16 114.38 122.23 2h6l h ARG 47 Ca -0.40 0.00 0.28 0.00 0.07 0.00 0.00 59.98 59.93 2h6l h ARG 47 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 2h6l h ARG 47 CO 0.55 0.02 0.76 -1.54 -1.07 0.00 0.00 179.97 178.69 2h6l s SER 48 N -5.51 -0.04 0.04 7.04 1.04 -1.25 -3.22 113.70 111.79 2h6l s SER 48 Ca 0.00 -0.29 -0.28 0.00 0.48 0.00 0.00 55.95 55.86 2h6l s SER 48 Cb 0.09 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.57 2h6l s SER 48 CO 0.78 -0.51 1.09 0.00 0.98 0.00 0.00 173.24 175.58 2h6l s ALA 49 N -2.39 -1.92 -0.12 5.32 0.00 -0.13 -1.98 121.76 120.54 2h6l s ALA 49 Ca 0.19 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 2h6l s ALA 49 Cb 0.01 0.43 0.04 0.00 0.00 0.00 0.00 23.12 23.60 2h6l s ALA 49 CO -0.01 -0.95 -0.01 0.08 0.00 0.00 0.00 175.76 174.87 2h6l s VAL 50 N -2.88 0.61 0.25 0.00 1.01 0.85 -1.31 120.40 118.93 2h6l s VAL 50 Ca 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2h6l s VAL 50 Cb 0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 2h6l s VAL 50 CO -0.02 0.15 0.02 2.30 0.00 0.00 0.00 175.10 177.55 2h6l n ILE 51 N 5.06 0.00 -3.59 2.22 -5.35 -0.62 -0.87 119.36 116.20 2h6l n ILE 51 Ca -0.09 -1.23 0.01 0.00 -0.27 0.00 0.00 62.75 61.17 2h6l n ILE 51 Cb 0.49 0.30 -0.01 0.00 -1.74 0.00 0.00 39.64 38.68 2h6l n ILE 51 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2h6l s GLY 52 N -2.40 -0.38 0.14 3.28 0.00 -0.49 0.10 107.32 107.58 2h6l s GLY 52 Ca 0.03 1.32 0.09 0.00 0.00 0.00 0.00 44.72 46.16 2h6l s GLY 52 CO 0.02 0.36 -0.20 -2.52 0.00 0.00 0.00 173.10 170.76 2h6l s TYR 53 N -2.08 1.84 -0.29 1.90 -0.85 0.19 -0.59 117.35 117.47 2h6l s TYR 53 Ca 0.13 -0.44 -0.15 0.00 -0.52 0.00 0.00 57.07 56.09 2h6l s TYR 53 Cb 0.04 -0.95 -0.03 0.00 0.38 0.00 0.00 41.96 41.40 2h6l s TYR 53 CO -0.05 0.29 0.39 -0.47 -1.52 0.00 0.00 175.55 174.19 2h6l s TYR 54 N -1.70 3.24 -0.34 -3.49 5.04 -1.26 -0.28 117.35 118.56 2h6l s TYR 54 Ca 0.12 0.34 -0.29 0.00 -2.44 0.00 0.00 57.07 54.81 2h6l s TYR 54 Cb -0.07 -2.62 0.00 0.00 0.35 0.00 0.00 41.96 39.62 2h6l s TYR 54 CO 0.06 -0.29 1.40 0.34 -1.34 0.00 0.00 175.55 175.73 2h6l s ASP 55 N 1.66 6.46 0.14 4.32 -1.08 -0.38 -4.87 116.67 122.93 2h6l s ASP 55 Ca 0.15 1.09 0.22 0.00 -0.52 0.00 0.00 52.55 53.49 2h6l s ASP 55 Cb -0.16 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.63 2h6l s ASP 55 CO 0.10 -1.28 1.66 0.00 0.52 0.00 0.00 175.17 176.18 2h6l n GLN 56 N 7.73 0.12 -0.14 4.34 6.02 -1.26 -1.14 117.38 133.05 2h6l n GLN 56 Ca 0.16 0.30 -0.28 0.00 -0.01 0.00 0.00 57.00 57.17 2h6l n GLN 56 Cb 0.47 -1.70 -0.10 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.93 0.59 0.22 -1.09 -0.58 -1.26 -4.34 120.64 112.25 2h6l n GLU 57 Ca 0.04 0.24 0.15 0.00 -0.42 0.00 0.00 57.16 57.16 2h6l n GLU 57 Cb 0.25 -1.49 0.50 0.00 -0.57 0.00 0.00 31.44 30.13 2h6l n GLU 57 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2h6l h LYS 58 N -0.82 0.00 -5.15 3.49 1.57 -1.98 -3.47 116.57 110.20 2h6l h LYS 58 Ca -0.68 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 57.83 2h6l h LYS 58 Cb 1.66 0.00 0.15 0.00 0.08 0.00 0.00 32.23 34.12 2h6l h LYS 58 CO -0.37 0.00 -0.68 1.63 -0.57 0.00 0.00 179.45 179.46 2h6l n LYS 59 N -2.83 -4.85 -3.59 3.15 5.02 -0.29 -5.04 118.16 109.73 2h6l n LYS 59 Ca 0.02 0.74 -0.16 0.00 -2.02 0.00 0.00 58.31 56.89 2h6l n LYS 59 Cb 0.36 -5.37 -0.07 0.00 -0.02 0.00 0.00 35.03 29.93 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 -4.95 0.94 0.55 1.97 -1.05 -1.13 -4.95 118.70 110.09 2h6l s GLU 60 Ca 0.09 0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 54.83 2h6l s GLU 60 Cb -0.01 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 34.06 2h6l s GLU 60 CO 0.63 -0.29 1.04 0.71 0.95 0.00 0.00 175.26 178.30 2h6l s TYR 61 N -1.34 3.09 -0.23 4.83 2.02 -1.26 -1.25 117.35 123.21 2h6l s TYR 61 Ca -0.11 1.52 -0.01 0.00 -0.37 0.00 0.00 57.07 58.10 2h6l s TYR 61 Cb -0.02 -2.97 0.07 0.00 -0.40 0.00 0.00 41.96 38.64 2h6l s TYR 61 CO 0.07 -0.88 0.01 0.08 -1.57 0.00 0.00 175.55 173.27 2h6l s VAL 62 N -2.38 1.01 0.33 0.71 1.01 0.61 -4.88 120.40 116.80 2h6l s VAL 62 Ca 0.63 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2h6l s VAL 62 Cb -0.15 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2h6l s VAL 62 CO 0.32 -0.24 0.56 -1.59 0.00 0.00 0.00 175.10 174.14 2h6l s LYS 63 N 1.62 3.54 -0.04 2.72 -2.85 -1.26 -0.64 119.74 122.83 2h6l s LYS 63 Ca -0.01 -0.17 0.02 0.00 -1.00 0.00 0.00 55.97 54.81 2h6l s LYS 63 Cb -0.18 -2.64 0.01 0.00 -2.06 0.00 0.00 37.83 32.96 2h6l s LYS 63 CO -0.10 0.16 -0.11 0.21 0.10 0.00 0.00 175.35 175.61 2h6l s LYS 64 N -4.02 1.32 -0.10 1.78 2.20 0.12 -4.92 119.74 116.11 2h6l s LYS 64 Ca 0.42 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.58 2h6l s LYS 64 Cb -0.10 -1.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.01 2h6l s LYS 64 CO 0.34 0.08 0.20 -1.21 -0.36 0.00 0.00 175.35 174.40 2h6l s GLU 65 N 0.43 3.59 0.32 4.03 2.02 -1.26 -1.58 118.70 126.25 2h6l s GLU 65 Ca -0.08 -0.00 0.03 0.00 0.02 0.00 0.00 54.97 54.93 2h6l s GLU 65 Cb -0.12 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 2h6l s GLU 65 CO 0.02 0.73 0.11 -0.51 0.02 0.00 0.00 175.26 175.64 2h6l s LEU 66 N -0.97 1.86 0.34 1.80 1.43 -0.43 -5.02 118.68 117.69 2h6l s LEU 66 Ca 0.17 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 2h6l s LEU 66 Cb -0.13 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.03 2h6l s LEU 66 CO 0.06 -0.79 0.00 1.21 0.23 0.00 0.00 176.35 177.05 2h6l n GLU 68 N -0.66 -2.82 -1.69 1.70 2.13 -1.25 -0.96 120.64 117.09 2h6l n GLU 68 Ca -0.02 2.11 -0.44 0.00 0.66 0.00 0.00 57.16 59.48 2h6l n GLU 68 Cb 0.66 -2.41 -0.02 0.00 0.27 0.00 0.00 31.44 29.93 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 -1.11 2.19 -3.95 5.31 -0.02 -1.20 -4.23 135.00 131.99 2h6l n PRO 69 Ca 0.00 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 2h6l n PRO 69 Cb 0.04 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 30.98 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 -0.34 2.03 0.26 2.45 1.02 0.04 -4.97 118.68 119.17 2h6l s LEU 70 Ca 0.64 -0.45 -0.21 0.00 0.02 0.00 0.00 54.13 54.13 2h6l s LEU 70 Cb -0.60 0.30 -0.09 0.00 0.02 0.00 0.00 46.19 45.83 2h6l s LEU 70 CO 0.53 -0.35 0.78 -1.61 0.02 0.00 0.00 176.35 175.71 2h6l s GLU 71 N -1.68 4.30 -0.70 1.70 0.41 -0.78 -0.39 118.70 121.56 2h6l s GLU 71 Ca -0.13 0.95 -0.23 0.00 -0.41 0.00 0.00 54.97 55.15 2h6l s GLU 71 Cb -0.08 -2.81 0.07 0.00 -1.78 0.00 0.00 34.13 29.53 2h6l s GLU 71 CO -0.01 0.34 1.04 0.42 -0.49 0.00 0.00 175.26 176.56 2h6l s ILE 72 N -1.59 4.22 0.04 -1.63 1.01 0.12 -1.89 121.20 121.48 2h6l s ILE 72 Ca 0.46 -0.29 0.14 0.00 0.00 0.00 0.00 60.65 60.96 2h6l s ILE 72 Cb -0.16 -4.74 0.02 0.00 0.01 0.00 0.00 42.46 37.59 2h6l s ILE 72 CO 0.21 -1.55 1.52 -0.07 0.00 0.00 0.00 174.94 175.05 2h6l h LEU 73 N 11.65 0.00 -7.00 2.97 3.38 -0.71 -3.30 115.31 122.30 2h6l h LEU 73 Ca -0.25 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.82 2h6l h LEU 73 Cb 1.06 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.55 2h6l h LEU 73 CO 1.20 0.58 0.35 -0.55 0.09 0.00 0.00 178.44 180.11 2h6l s SER 74 N -6.54 -0.55 -0.05 -0.43 0.15 -0.89 -4.94 113.70 100.45 2h6l s SER 74 Ca 0.02 0.90 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 2h6l s SER 74 Cb 0.10 1.20 0.03 0.00 -1.71 0.00 0.00 66.02 65.64 2h6l s SER 74 CO 0.74 -0.14 0.06 -0.22 1.20 0.00 0.00 173.24 174.88 2h6l s LEU 75 N 1.29 0.17 0.00 3.45 0.20 -1.19 -0.40 118.68 122.20 2h6l s LEU 75 Ca -0.08 0.04 -0.08 0.00 0.69 0.00 0.00 54.13 54.70 2h6l s LEU 75 Cb -0.04 -0.16 0.00 0.00 -0.43 0.00 0.00 46.19 45.56 2h6l s LEU 75 CO -0.15 -0.25 0.15 -0.55 -0.29 0.00 0.00 176.35 175.26 2h6l s SER 76 N 2.16 0.01 0.00 3.68 0.15 -0.76 -1.90 113.70 117.04 2h6l s SER 76 Ca 0.05 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2h6l s SER 76 Cb -0.12 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2h6l s SER 76 CO -0.03 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2h6l n GLY 77 N 1.41 -0.97 3.27 9.45 0.00 -0.32 -1.26 105.19 116.77 2h6l n GLY 77 Ca -0.23 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.00 0.14 -0.04 1.61 2.20 -0.80 -0.06 114.94 113.98 2h6l s ASN 78 Ca 0.00 -1.08 0.05 0.00 -0.94 0.00 0.00 52.86 50.90 2h6l s ASN 78 Cb 0.00 0.39 -0.02 0.00 -2.00 0.00 0.00 41.25 39.62 2h6l s ASN 78 CO 0.00 -0.85 -0.20 -0.69 -2.94 0.00 0.00 177.10 172.42 2h6l s VAL 79 N -4.03 2.54 0.00 3.54 1.01 0.22 -1.66 120.40 122.03 2h6l s VAL 79 Ca 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2h6l s VAL 79 Cb 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2h6l s VAL 79 CO 0.03 0.58 0.00 -1.54 0.00 0.00 0.00 175.10 174.17 2h6l n SER 80 N 2.52 0.00 0.00 3.32 3.41 -0.76 -2.52 113.62 119.58 2h6l n SER 80 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 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 -3.70 4.33 4.81 -1.00 0.65 118.16 123.24 2h6l n LYS 82 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 2h6l n LYS 82 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 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 -4.69 -3.02 3.14 8.00 -1.26 -2.51 116.55 116.22 2h6l n ASP 83 Ca 0.00 -0.67 -0.21 0.00 0.71 0.00 0.00 54.79 54.62 2h6l n ASP 83 Cb 0.00 -4.52 0.01 0.00 -0.02 0.00 0.00 41.12 36.58 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 -2.97 -4.71 -3.65 -2.24 3.41 -1.26 -4.98 113.62 97.22 2h6l n SER 84 Ca -0.05 -0.23 -0.15 0.00 -0.26 0.00 0.00 58.87 58.18 2h6l n SER 84 Cb 0.58 -3.88 -0.07 0.00 -0.26 0.00 0.00 64.21 60.57 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 -5.67 0.85 -0.01 4.33 -2.85 -1.04 -5.12 119.74 110.22 2h6l s LYS 85 Ca 0.27 -0.00 -0.35 0.00 -1.00 0.00 0.00 55.97 54.88 2h6l s LYS 85 Cb -0.13 0.39 -0.14 0.00 -2.06 0.00 0.00 37.83 35.89 2h6l s LYS 85 CO 0.33 -0.25 1.69 -0.35 0.10 0.00 0.00 175.35 176.87 2h6l n PRO 86 N 1.09 1.87 -5.03 1.78 -0.04 -1.26 -2.37 135.00 131.04 2h6l n PRO 86 Ca -0.20 0.68 -0.31 0.00 -0.04 0.00 0.00 63.50 63.63 2h6l n PRO 86 Cb 0.57 -2.45 -0.17 0.00 -0.04 0.00 0.00 33.50 31.41 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 2.47 2.37 -0.07 0.54 5.36 0.21 -4.90 117.98 123.95 2h6l s PHE 87 Ca 0.88 -0.99 -0.15 0.00 -0.96 0.00 0.00 56.93 55.70 2h6l s PHE 87 Cb -0.78 -1.60 -0.05 0.00 -0.34 0.00 0.00 43.02 40.25 2h6l s PHE 87 CO 0.49 -0.42 0.40 0.00 -1.46 0.00 0.00 175.22 174.23 2h6l s HIS 89 N -0.22 3.17 -0.02 0.00 2.46 -0.66 -5.02 115.29 115.00 2h6l s HIS 89 Ca 0.23 -2.35 0.05 0.00 0.47 0.00 0.00 55.06 53.45 2h6l s HIS 89 Cb -0.15 -2.07 -0.01 0.00 -0.13 0.00 0.00 32.58 30.22 2h6l s HIS 89 CO 0.10 -0.87 -0.15 0.42 -2.47 0.00 0.00 174.74 171.76 2h6l s ILE 90 N 1.13 1.24 0.03 0.89 1.01 -1.26 -1.91 121.20 122.33 2h6l s ILE 90 Ca -0.04 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2h6l s ILE 90 Cb -0.19 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2h6l s ILE 90 CO -0.06 0.35 -0.19 -1.00 0.00 0.00 0.00 174.94 174.03 2h6l s HIS 91 N -0.27 2.52 0.16 3.97 3.76 -0.39 -0.50 115.29 124.54 2h6l s HIS 91 Ca 0.04 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2h6l s HIS 91 Cb -0.07 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 2h6l s HIS 91 CO -0.00 0.21 0.09 0.14 -0.85 0.00 0.00 174.74 174.34 2h6l s VAL 92 N -0.88 0.07 -0.11 -0.90 -7.23 -0.33 -1.83 120.40 109.18 2h6l s VAL 92 Ca 0.14 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2h6l s VAL 92 Cb -0.10 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2h6l s VAL 92 CO 0.04 -0.30 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.74 2h6l s LEU 93 N -3.08 1.02 0.13 1.32 1.43 0.46 -1.46 118.68 118.50 2h6l s LEU 93 Ca 0.29 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 2h6l s LEU 93 Cb 0.07 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 2h6l s LEU 93 CO 0.05 -0.18 -0.22 -0.76 0.23 0.00 0.00 176.35 175.47 2h6l s LEU 94 N 1.82 2.35 0.00 1.79 1.02 -0.14 -0.01 118.68 125.50 2h6l s LEU 94 Ca 0.04 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.43 2h6l s LEU 94 Cb -0.13 -0.99 0.00 0.00 0.02 0.00 0.00 46.19 45.08 2h6l s LEU 94 CO -0.07 0.08 0.00 0.61 0.02 0.00 0.00 176.35 176.99 2h6l n GLY 95 N 0.77 -0.20 3.26 -3.19 0.00 -0.79 -0.33 105.19 104.72 2h6l n GLY 95 Ca -0.17 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 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 0.39 4.05 1.61 -2.85 0.14 -1.87 119.74 119.22 2h6l s LYS 96 Ca 0.00 0.72 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 2h6l s LYS 96 Cb 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2h6l s LYS 96 CO 0.00 -0.14 0.00 -0.25 0.10 0.00 0.00 175.35 175.06 2h6l n ASP 97 N 3.97 0.00 -0.44 0.03 8.00 -1.26 -0.35 116.55 126.51 2h6l n ASP 97 Ca -0.21 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.42 2h6l n ASP 97 Cb 0.55 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 42.11 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 -0.11 3.40 0.44 0.00 -1.26 -4.70 105.19 102.96 2h6l n GLY 98 Ca 0.00 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.14 3.19 -0.03 1.61 2.12 0.53 -5.02 118.70 118.97 2h6l s GLU 99 Ca 0.34 -1.37 0.06 0.00 0.36 0.00 0.00 54.97 54.36 2h6l s GLU 99 Cb 0.20 -4.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.20 2h6l s GLU 99 CO 0.38 -1.63 -0.20 0.08 -0.54 0.00 0.00 175.26 173.36 2h6l s VAL 100 N 2.82 1.58 0.13 3.70 1.01 -1.26 -0.68 120.40 127.70 2h6l s VAL 100 Ca 0.18 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.40 2h6l s VAL 100 Cb -0.18 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2h6l s VAL 100 CO 0.03 0.45 -0.17 -0.31 0.00 0.00 0.00 175.10 175.10 2h6l s TYR 101 N -0.26 1.62 0.07 5.22 2.02 0.56 -5.00 117.35 121.58 2h6l s TYR 101 Ca 0.03 -0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 56.01 2h6l s TYR 101 Cb -0.10 -0.84 0.06 0.00 -0.40 0.00 0.00 41.96 40.68 2h6l s TYR 101 CO 0.01 0.23 0.54 0.20 -1.57 0.00 0.00 175.55 174.96 2h6l s GLY 102 N -2.41 -0.47 0.00 0.71 0.00 -1.26 -0.97 107.32 102.91 2h6l s GLY 102 Ca 0.11 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.40 2h6l s GLY 102 CO 0.05 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.02 2h6l n GLY 103 N 0.19 -0.91 3.73 0.20 0.00 -0.54 -4.76 105.19 103.11 2h6l n GLY 103 Ca -0.18 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.97 3.40 -0.14 1.61 5.65 0.24 -1.19 115.29 121.90 2h6l s HIS 104 Ca 0.00 1.32 -0.19 0.00 0.25 0.00 0.00 55.06 56.44 2h6l s HIS 104 Cb 0.00 -3.47 -0.04 0.00 -1.18 0.00 0.00 32.58 27.89 2h6l s HIS 104 CO 0.00 -1.41 0.50 -1.17 -0.65 0.00 0.00 174.74 172.02 2h6l s LEU 105 N 0.32 4.25 -0.19 8.88 2.96 0.34 -1.40 118.68 133.84 2h6l s LEU 105 Ca 0.56 0.81 -0.06 0.00 -0.22 0.00 0.00 54.13 55.22 2h6l s LEU 105 Cb -0.32 -2.73 -0.10 0.00 0.50 0.00 0.00 46.19 43.54 2h6l s LEU 105 CO 0.34 -0.05 -0.22 0.49 -1.32 0.00 0.00 176.35 175.58 2h6l n PHE 106 N 3.97 0.00 -3.52 5.38 3.72 -0.05 -4.67 117.46 122.29 2h6l n PHE 106 Ca -0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.21 2h6l n PHE 106 Cb 0.51 -0.71 -0.04 0.00 -0.94 0.00 0.00 39.48 38.31 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 -6.42 -0.50 -0.27 4.37 1.04 -1.01 -4.89 113.70 106.02 2h6l s SER 107 Ca -0.27 0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.14 2h6l s SER 107 Cb 0.09 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.83 2h6l s SER 107 CO 0.37 -0.81 0.68 0.00 0.98 0.00 0.00 173.24 174.47 2h6l s ALA 108 N -2.88 -1.84 -0.13 5.32 0.00 -1.26 -0.11 121.76 120.87 2h6l s ALA 108 Ca -0.03 2.36 -0.24 0.00 0.00 0.00 0.00 51.96 54.04 2h6l s ALA 108 Cb -0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2h6l s ALA 108 CO -0.05 -0.37 0.77 -2.00 0.00 0.00 0.00 175.76 174.11 2h6l s GLU 109 N 1.52 4.34 0.23 0.00 2.12 -0.84 0.54 118.70 126.61 2h6l s GLU 109 Ca -0.09 0.95 -0.30 0.00 0.36 0.00 0.00 54.97 55.89 2h6l s GLU 109 Cb -0.05 -3.53 -0.09 0.00 0.26 0.00 0.00 34.13 30.72 2h6l s GLU 109 CO -0.18 -0.18 1.02 0.08 -0.54 0.00 0.00 175.26 175.46 2h6l s VAL 110 N 1.64 3.91 -0.13 3.70 1.01 -0.45 -1.08 120.40 129.01 2h6l s VAL 110 Ca 0.38 1.83 -0.13 0.00 0.00 0.00 0.00 61.98 64.06 2h6l s VAL 110 Cb -0.17 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2h6l s VAL 110 CO 0.15 0.40 -0.26 0.33 0.00 0.00 0.00 175.10 175.72 2h6l n PHE 111 N 1.69 0.00 -3.66 5.22 7.35 -0.70 -0.21 117.46 127.15 2h6l n PHE 111 Ca -0.01 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.61 2h6l n PHE 111 Cb 0.46 -0.44 -0.09 0.00 0.35 0.00 0.00 39.48 39.77 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 -2.62 -1.32 -0.02 3.13 0.00 -0.92 -4.53 121.76 115.47 2h6l s ALA 112 Ca -0.23 1.68 -0.00 0.00 0.00 0.00 0.00 51.96 53.41 2h6l s ALA 112 Cb 0.04 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.82 2h6l s ALA 112 CO 0.33 -0.74 0.03 0.00 0.00 0.00 0.00 175.76 175.38 2h6l s GLU 114 N 1.16 2.95 -0.07 0.00 2.02 -0.90 -1.67 118.70 122.20 2h6l s GLU 114 Ca -0.08 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.03 2h6l s GLU 114 Cb -0.13 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 2h6l s GLU 114 CO -0.03 -0.33 -0.07 0.08 0.02 0.00 0.00 175.26 174.93 2h6l s VAL 115 N 1.34 3.66 -0.21 2.63 1.01 -0.57 -2.41 120.40 125.85 2h6l s VAL 115 Ca 0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2h6l s VAL 115 Cb -0.16 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2h6l s VAL 115 CO -0.06 0.60 -0.00 0.12 0.00 0.00 0.00 175.10 175.76 2h6l s PHE 116 N -0.79 3.02 -0.17 5.22 5.36 0.17 -0.74 117.98 130.04 2h6l s PHE 116 Ca 0.12 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 2h6l s PHE 116 Cb -0.11 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2h6l s PHE 116 CO 0.01 -0.35 -0.15 0.08 -1.46 0.00 0.00 175.22 173.35 2h6l s VAL 117 N 1.22 2.57 -0.52 3.12 1.01 0.73 -1.98 120.40 126.55 2h6l s VAL 117 Ca 0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2h6l s VAL 117 Cb -0.15 -2.09 0.13 0.00 0.00 0.00 0.00 36.38 34.28 2h6l s VAL 117 CO 0.01 0.51 0.30 -0.22 0.00 0.00 0.00 175.10 175.70 2h6l s LEU 118 N 1.00 5.07 0.49 3.92 2.96 -0.58 -1.28 118.68 130.26 2h6l s LEU 118 Ca -0.02 -2.55 -0.23 0.00 -0.22 0.00 0.00 54.13 51.11 2h6l s LEU 118 Cb -0.15 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 2h6l s LEU 118 CO -0.03 -0.41 1.32 -2.16 -1.32 0.00 0.00 176.35 173.75 2h6l s PRO 119 N 0.37 3.47 -0.21 0.98 0.04 -1.26 -1.49 135.00 136.90 2h6l s PRO 119 Ca 0.14 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.34 2h6l s PRO 119 Cb -0.22 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 31.93 2h6l s PRO 119 CO -0.04 -0.90 -0.15 -0.51 0.04 0.00 0.00 177.00 175.44 2h6l s LEU 120 N -3.14 2.61 -0.37 -3.56 1.43 0.12 -4.54 118.68 111.23 2h6l s LEU 120 Ca 0.66 -0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 2h6l s LEU 120 Cb -0.38 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2h6l s LEU 120 CO 0.46 -0.06 0.76 -0.55 0.23 0.00 0.00 176.35 177.20 2h6l s SER 121 N 1.27 6.52 0.00 2.29 0.15 -0.68 -4.36 113.70 118.89 2h6l s SER 121 Ca 0.02 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2h6l s SER 121 Cb -0.15 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2h6l s SER 121 CO -0.09 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2h6l n GLY 122 N 4.61 -1.33 3.65 9.45 0.00 -1.26 -1.56 105.19 118.74 2h6l n GLY 122 Ca 0.02 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.72 4.03 0.17 1.61 0.41 -1.26 -4.96 118.70 116.97 2h6l s GLU 123 Ca 0.00 1.82 -0.30 0.00 -0.41 0.00 0.00 54.97 56.08 2h6l s GLU 123 Cb 0.00 -3.95 -0.08 0.00 -1.78 0.00 0.00 34.13 28.32 2h6l s GLU 123 CO 0.00 -1.00 1.23 0.00 -0.49 0.00 0.00 175.26 175.00 2h6l s ALA 124 N 4.38 3.46 0.36 5.21 0.00 -1.26 -4.86 121.76 129.05 2h6l s ALA 124 Ca 0.67 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 2h6l s ALA 124 Cb -0.27 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2h6l s ALA 124 CO 0.26 -0.42 1.16 -1.25 0.00 0.00 0.00 175.76 175.51 2h6l s PRO 125 N -0.00 4.25 -0.07 0.00 0.04 -1.26 -4.91 135.00 133.04 2h6l s PRO 125 Ca 0.55 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 63.45 2h6l s PRO 125 Cb -0.33 -2.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2h6l s PRO 125 CO 0.36 -0.15 -0.03 -1.21 0.04 0.00 0.00 177.00 176.01 2h6l s GLU 126 N -2.03 2.87 -0.21 4.56 2.02 -0.52 -4.70 118.70 120.70 2h6l s GLU 126 Ca 0.53 -0.48 -0.18 0.00 0.02 0.00 0.00 54.97 54.86 2h6l s GLU 126 Cb -0.32 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 2h6l s GLU 126 CO 0.41 0.68 0.49 1.03 0.02 0.00 0.00 175.26 177.89 2h6l s ARG 127 N -0.90 4.17 0.08 1.61 0.52 -1.26 -0.93 118.95 122.23 2h6l s ARG 127 Ca 0.13 0.36 0.05 0.00 -0.52 0.00 0.00 55.73 55.76 2h6l s ARG 127 Cb -0.11 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 2h6l s ARG 127 CO 0.02 -0.15 -0.14 0.00 0.02 0.00 0.00 175.30 175.05 2h6l s ALA 128 N 1.66 1.21 0.23 2.13 0.00 0.07 -4.75 121.76 122.31 2h6l s ALA 128 Ca 0.23 -1.03 -0.32 0.00 0.00 0.00 0.00 51.96 50.84 2h6l s ALA 128 Cb -0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 23.12 22.74 2h6l s ALA 128 CO 0.09 0.16 1.46 0.34 0.00 0.00 0.00 175.76 177.82 2h6l n PHE 129 N 1.21 2.26 -4.13 0.00 7.35 -1.26 -1.44 117.46 121.44 2h6l n PHE 129 Ca -0.21 0.38 -0.34 0.00 -0.76 0.00 0.00 57.45 56.52 2h6l n PHE 129 Cb 0.54 -2.49 -0.15 0.00 0.35 0.00 0.00 39.48 37.73 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 0.44 3.70 0.19 -2.13 2.15 0.73 -4.84 116.67 116.90 2h6l s ASP 130 Ca 0.70 -0.51 -0.12 0.00 0.43 0.00 0.00 52.55 53.05 2h6l s ASP 130 Cb -0.64 -1.60 0.10 0.00 -0.30 0.00 0.00 42.92 40.48 2h6l s ASP 130 CO 0.47 0.01 1.82 -0.08 -0.17 0.00 0.00 175.17 177.22 2h6l h GLU 131 N 7.86 0.85 -0.43 4.34 4.57 -1.93 0.19 114.58 130.02 2h6l h GLU 131 Ca -0.41 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 57.76 2h6l h GLU 131 Cb 1.16 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 2h6l h GLU 131 CO 0.61 0.61 0.07 0.37 -1.18 0.00 0.00 179.01 179.50 2h6l h GLN 132 N 0.85 0.19 0.00 1.92 4.15 -1.95 -3.25 115.11 117.03 2h6l h GLN 132 Ca 0.22 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 2h6l h GLN 132 Cb -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2h6l h GLN 132 CO -0.04 0.13 -2.01 0.25 -1.93 0.00 0.00 178.83 175.22 2h6l n THR 133 N -5.12 0.30 -0.93 2.39 -2.24 -1.21 -4.97 114.28 102.51 2h6l n THR 133 Ca 0.04 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2h6l n THR 133 Cb 0.21 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.46 0.52 3.96 3.38 0.00 0.65 -4.83 105.19 110.34 2h6l n GLY 134 Ca -0.10 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2h6l n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2h6l s LEU 135 N 0.00 3.53 -0.65 0.99 2.96 -1.22 -4.85 118.68 119.44 2h6l s LEU 135 Ca 0.00 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.23 2h6l s LEU 135 Cb 0.00 -2.38 0.17 0.00 0.50 0.00 0.00 46.19 44.47 2h6l s LEU 135 CO 0.00 -0.73 0.55 -0.36 -1.32 0.00 0.00 176.35 174.49 2h6l s PHE 136 N -2.41 3.52 0.32 5.38 0.40 -1.26 -0.19 117.98 123.73 2h6l s PHE 136 Ca 0.52 -1.97 0.06 0.00 -0.60 0.00 0.00 56.93 54.95 2h6l s PHE 136 Cb -0.07 -3.62 -0.01 0.00 0.51 0.00 0.00 43.02 39.82 2h6l s PHE 136 CO 0.31 -0.97 0.44 -0.51 0.70 0.00 0.00 175.22 175.19 2h6l s LEU 137 N 0.68 4.03 0.23 -0.37 1.43 -0.52 -4.52 118.68 119.64 2h6l s LEU 137 Ca 0.12 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 2h6l s LEU 137 Cb -0.20 -2.76 -0.10 0.00 0.03 0.00 0.00 46.19 43.17 2h6l s LEU 137 CO -0.04 -0.36 1.46 0.26 0.23 0.00 0.00 176.35 177.91 2h6l s TRP 138 N -2.14 3.02 -0.16 0.29 0.51 -1.25 -0.75 118.94 118.46 2h6l s TRP 138 Ca 0.43 0.95 -0.13 0.00 -2.12 0.00 0.00 56.10 55.23 2h6l s TRP 138 Cb -0.09 -3.84 -0.06 0.00 -0.81 0.00 0.00 33.47 28.66 2h6l s TRP 138 CO 0.31 -2.81 -0.28 -0.11 -0.51 0.00 0.00 176.95 173.55 2h6l n LEU 139 N 2.63 1.68 0.00 2.99 7.94 -0.11 -4.90 117.00 127.23 2h6l n LEU 139 Ca 0.08 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 2h6l n LEU 139 Cb 0.40 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2h6l n LEU 139 CO 0.61 -0.07 0.00 -1.84 -1.11 0.00 0.00 177.39 174.98