#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bql s GLN 3 N 0.00 1.92 -0.72 5.55 1.11 -0.29 -4.84 119.66 122.39 1bql s GLN 3 Ca 0.00 -1.18 -0.05 0.00 0.01 0.00 0.00 55.36 54.14 1bql s GLN 3 Cb 0.00 0.58 0.18 0.00 -1.01 0.00 0.00 33.01 32.76 1bql s GLN 3 CO 0.00 -0.89 0.57 -1.17 0.01 0.00 0.00 175.29 173.81 1bql s LEU 4 N -3.05 5.65 -0.12 2.90 2.96 -1.26 -0.51 118.68 125.25 1bql s LEU 4 Ca 0.14 -2.95 -0.07 0.00 -0.22 0.00 0.00 54.13 51.04 1bql s LEU 4 Cb -0.05 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1bql s LEU 4 CO 0.09 -0.39 0.15 -1.10 -1.32 0.00 0.00 176.35 173.77 1bql s GLN 5 N -0.21 3.45 0.54 1.98 -0.21 -0.44 -4.39 119.66 120.38 1bql s GLN 5 Ca 0.19 -0.12 0.02 0.00 0.02 0.00 0.00 55.36 55.46 1bql s GLN 5 Cb -0.16 -3.19 0.02 0.00 1.00 0.00 0.00 33.01 30.68 1bql s GLN 5 CO -0.06 0.78 0.16 1.04 -2.12 0.00 0.00 175.29 175.09 1bql n GLN 6 N 1.95 0.70 -2.91 2.91 6.02 -1.26 0.19 117.38 124.98 1bql n GLN 6 Ca -0.20 -3.74 -0.26 0.00 -0.01 0.00 0.00 57.00 52.79 1bql n GLN 6 Cb 0.55 0.79 -0.01 0.00 1.02 0.00 0.00 30.24 32.59 1bql n GLN 6 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1bql s SER 7 N -4.06 6.28 1.26 1.08 0.01 -1.24 -4.93 113.70 112.10 1bql s SER 7 Ca 0.12 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 57.98 1bql s SER 7 Cb -0.01 -2.17 0.32 0.00 0.21 0.00 0.00 66.02 64.36 1bql s SER 7 CO 0.08 -0.47 0.99 -0.83 0.41 0.00 0.00 173.24 173.42 1bql s GLY 8 N -4.05 1.49 0.44 3.44 0.00 -1.26 -4.51 107.32 102.88 1bql s GLY 8 Ca 0.45 -0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.49 1bql s GLY 8 CO 0.41 0.41 1.43 0.00 0.00 0.00 0.00 173.10 175.35 1bql s ALA 9 N -2.43 3.26 0.09 3.20 0.00 -1.26 -4.73 121.76 119.89 1bql s ALA 9 Ca 0.68 1.46 0.06 0.00 0.00 0.00 0.00 51.96 54.17 1bql s ALA 9 Cb -0.20 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1bql s ALA 9 CO 0.62 -1.17 -0.06 -1.21 0.00 0.00 0.00 175.76 173.94 1bql s GLU 10 N -2.42 2.33 -0.07 0.00 0.41 0.77 -4.95 118.70 114.77 1bql s GLU 10 Ca 0.60 -0.93 -0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1bql s GLU 10 Cb -0.44 -2.41 0.03 0.00 -1.78 0.00 0.00 34.13 29.53 1bql s GLU 10 CO 0.56 0.53 -0.03 -1.17 -0.49 0.00 0.00 175.26 174.67 1bql s LEU 11 N -2.17 0.93 -0.00 1.80 2.96 -1.25 -0.58 118.68 120.36 1bql s LEU 11 Ca 0.23 -0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1bql s LEU 11 Cb -0.11 -0.51 -0.00 0.00 0.50 0.00 0.00 46.19 46.07 1bql s LEU 11 CO 0.15 -0.13 0.07 -0.32 -1.32 0.00 0.00 176.35 174.80 1bql s MET 12 N 1.57 0.32 0.53 1.98 1.75 -0.30 -4.98 119.30 120.18 1bql s MET 12 Ca -0.00 -0.32 -0.21 0.00 -1.25 0.00 0.00 55.69 53.91 1bql s MET 12 Cb -0.13 0.13 -0.06 0.00 2.84 0.00 0.00 34.83 37.61 1bql s MET 12 CO -0.04 -0.07 1.17 0.21 -0.65 0.00 0.00 175.02 175.65 1bql s LYS 13 N -1.01 3.39 0.51 4.11 2.47 -1.26 -0.94 119.74 127.01 1bql s LYS 13 Ca -0.11 1.75 -0.23 0.00 -1.56 0.00 0.00 55.97 55.82 1bql s LYS 13 Cb -0.06 -2.13 -0.06 0.00 -1.46 0.00 0.00 37.83 34.12 1bql s LYS 13 CO 0.00 -0.85 1.35 -1.25 0.16 0.00 0.00 175.35 174.76 1bql s PRO 14 N -3.09 3.37 0.00 4.03 0.04 -1.26 -2.92 135.00 135.17 1bql s PRO 14 Ca 0.71 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1bql s PRO 14 Cb -0.28 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1bql s PRO 14 CO 0.32 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1bql n GLY 15 N 0.66 3.15 3.97 0.56 0.00 0.03 -4.94 105.19 108.62 1bql n GLY 15 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1bql n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bql s ALA 16 N -2.47 3.07 0.31 4.61 0.00 -1.15 -4.16 121.76 121.96 1bql s ALA 16 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 51.96 50.51 1bql s ALA 16 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1bql s ALA 16 CO 0.00 -1.93 -0.02 -1.12 0.00 0.00 0.00 175.76 172.68 1bql s SER 17 N -4.83 4.19 0.10 0.00 0.01 -1.26 -0.34 113.70 111.57 1bql s SER 17 Ca 0.70 -0.90 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 1bql s SER 17 Cb -0.04 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.62 1bql s SER 17 CO 0.48 -0.13 0.25 0.54 0.41 0.00 0.00 173.24 174.80 1bql s VAL 18 N -2.46 0.12 -0.05 3.43 0.11 -0.71 -4.99 120.40 115.85 1bql s VAL 18 Ca 0.33 -1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1bql s VAL 18 Cb -0.03 -1.31 0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1bql s VAL 18 CO 0.19 -0.54 0.02 -0.54 -3.33 0.00 0.00 175.10 170.90 1bql s LYS 19 N -3.85 0.27 -0.21 1.54 1.02 -1.26 -1.28 119.74 115.98 1bql s LYS 19 Ca 0.05 0.19 -0.08 0.00 0.02 0.00 0.00 55.97 56.14 1bql s LYS 19 Cb 0.04 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 1bql s LYS 19 CO -0.11 -0.25 0.09 0.42 -0.92 0.00 0.00 175.35 174.58 1bql s ILE 20 N 1.71 4.94 0.61 2.17 1.01 -0.06 -4.89 121.20 126.68 1bql s ILE 20 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1bql s ILE 20 Cb -0.13 -3.26 0.06 0.00 0.01 0.00 0.00 42.46 39.15 1bql s ILE 20 CO -0.03 0.42 0.86 -0.44 0.00 0.00 0.00 174.94 175.74 1bql s SER 21 N 0.68 5.00 -0.34 3.58 0.01 -1.26 -1.23 113.70 120.13 1bql s SER 21 Ca 0.05 -0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1bql s SER 21 Cb -0.13 -0.70 0.17 0.00 0.21 0.00 0.00 66.02 65.57 1bql s SER 21 CO 0.01 -1.37 0.49 0.00 0.41 0.00 0.00 173.24 172.79 1bql s LYS 23 N 2.14 3.65 -0.52 0.00 2.20 0.13 -1.16 119.74 126.18 1bql s LYS 23 Ca 0.13 -1.83 -0.22 0.00 -0.36 0.00 0.00 55.97 53.69 1bql s LYS 23 Cb -0.10 -4.95 0.05 0.00 -1.51 0.00 0.00 37.83 31.32 1bql s LYS 23 CO -0.17 -1.79 0.78 0.00 -0.36 0.00 0.00 175.35 173.82 1bql s ALA 24 N 2.64 3.27 0.00 3.13 0.00 -0.86 -1.33 121.76 128.62 1bql s ALA 24 Ca 0.34 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1bql s ALA 24 Cb -0.04 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1bql s ALA 24 CO -0.08 -2.18 -0.09 -1.54 0.00 0.00 0.00 175.76 171.87 1bql s SER 25 N 2.71 1.04 0.00 0.00 1.04 0.33 -4.64 113.70 114.18 1bql s SER 25 Ca 0.23 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1bql s SER 25 Cb -0.15 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1bql s SER 25 CO 0.16 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1bql n GLY 26 N 2.62 1.61 0.00 7.32 0.00 -1.26 -1.14 105.19 114.34 1bql n GLY 26 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1bql n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bql n TYR 27 N 0.00 0.00 -2.91 1.61 0.18 -1.26 -5.02 117.16 109.76 1bql n TYR 27 Ca 0.00 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.34 1bql n TYR 27 Cb 0.00 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.94 1bql n TYR 27 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1bql s THR 28 N -0.93 4.77 0.22 -3.48 2.01 -1.26 -4.81 115.64 112.16 1bql s THR 28 Ca 0.00 -1.86 -0.11 0.00 0.31 0.00 0.00 61.69 60.02 1bql s THR 28 Cb 0.00 -4.84 0.31 0.00 0.01 0.00 0.00 72.50 67.98 1bql s THR 28 CO 0.00 -1.57 1.37 0.33 -0.69 0.00 0.00 174.62 174.06 1bql n PHE 29 N 6.42 0.17 -0.38 4.92 7.35 -1.26 -0.65 117.46 134.03 1bql n PHE 29 Ca 0.29 1.08 0.35 0.00 -0.76 0.00 0.00 57.45 58.40 1bql n PHE 29 Cb 0.47 -0.92 0.61 0.00 0.35 0.00 0.00 39.48 39.99 1bql n PHE 29 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1bql n SER 30 N -5.37 0.27 -0.14 -2.13 7.64 -1.26 -2.13 113.62 110.50 1bql n SER 30 Ca 0.12 1.47 0.13 0.00 1.01 0.00 0.00 58.87 61.59 1bql n SER 30 Cb 0.40 -0.72 0.45 0.00 -1.01 0.00 0.00 64.21 63.33 1bql n SER 30 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1bql n ASP 31 N -4.91 0.67 -3.92 6.43 8.00 0.18 -1.04 116.55 121.97 1bql n ASP 31 Ca 0.38 -0.58 -0.13 0.00 0.71 0.00 0.00 54.79 55.17 1bql n ASP 31 Cb 1.38 0.04 -0.14 0.00 -0.02 0.00 0.00 41.12 42.38 1bql n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1bql s TYR 32 N -2.61 0.20 0.29 1.24 1.51 -0.91 -5.05 117.35 112.03 1bql s TYR 32 Ca 0.23 -0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 55.87 1bql s TYR 32 Cb 0.19 -0.13 -0.10 0.00 -0.11 0.00 0.00 41.96 41.81 1bql s TYR 32 CO 0.53 -0.03 1.36 -1.58 -1.11 0.00 0.00 175.55 174.72 1bql s TRP 33 N -0.33 3.04 -0.18 2.71 0.52 -1.26 -4.25 118.94 119.19 1bql s TRP 33 Ca -0.02 1.24 -0.01 0.00 0.02 0.00 0.00 56.10 57.33 1bql s TRP 33 Cb -0.03 -3.74 0.00 0.00 -1.15 0.00 0.00 33.47 28.56 1bql s TRP 33 CO -0.00 -2.20 -0.13 0.42 0.02 0.00 0.00 176.95 175.06 1bql s ILE 34 N -0.60 2.75 0.59 2.03 1.01 -0.62 -4.60 121.20 121.75 1bql s ILE 34 Ca 0.54 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 1bql s ILE 34 Cb -0.40 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 39.92 1bql s ILE 34 CO 0.48 0.49 0.83 -1.61 0.00 0.00 0.00 174.94 175.14 1bql s GLU 35 N 1.12 2.43 -0.04 2.79 2.02 -0.37 -1.96 118.70 124.68 1bql s GLU 35 Ca 0.01 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 1bql s GLU 35 Cb -0.14 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.70 1bql s GLU 35 CO -0.04 -0.85 0.09 -1.58 0.02 0.00 0.00 175.26 172.89 1bql s TRP 36 N -2.87 -0.07 0.15 1.61 0.52 -0.37 -2.16 118.94 115.76 1bql s TRP 36 Ca 0.58 0.31 0.09 0.00 0.02 0.00 0.00 56.10 57.11 1bql s TRP 36 Cb -0.10 -0.17 -0.04 0.00 -1.15 0.00 0.00 33.47 32.00 1bql s TRP 36 CO 0.40 -0.13 -0.21 0.08 0.02 0.00 0.00 176.95 177.10 1bql s VAL 37 N 1.19 1.93 -0.06 4.03 1.01 -0.60 -0.37 120.40 127.53 1bql s VAL 37 Ca -0.08 -1.81 0.05 0.00 0.00 0.00 0.00 61.98 60.14 1bql s VAL 37 Cb -0.12 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1bql s VAL 37 CO -0.04 -0.16 -0.22 -0.75 0.00 0.00 0.00 175.10 173.92 1bql s LYS 38 N -2.43 2.40 -0.14 2.72 2.20 0.29 -1.15 119.74 123.64 1bql s LYS 38 Ca 0.14 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1bql s LYS 38 Cb -0.08 -2.00 0.02 0.00 -1.51 0.00 0.00 37.83 34.26 1bql s LYS 38 CO 0.06 0.30 -0.15 -1.14 -0.36 0.00 0.00 175.35 174.06 1bql s GLN 39 N 0.01 2.31 -0.31 4.03 0.74 0.05 -0.38 119.66 126.11 1bql s GLN 39 Ca -0.07 -0.57 -0.07 0.00 0.05 0.00 0.00 55.36 54.70 1bql s GLN 39 Cb -0.14 -2.07 0.02 0.00 1.10 0.00 0.00 33.01 31.92 1bql s GLN 39 CO 0.04 -0.18 0.09 0.50 -0.55 0.00 0.00 175.29 175.19 1bql s ARG 40 N 1.33 2.99 0.33 1.67 3.52 -0.96 -0.66 118.95 127.17 1bql s ARG 40 Ca 0.01 -0.93 -0.28 0.00 -0.13 0.00 0.00 55.73 54.41 1bql s ARG 40 Cb -0.13 -3.40 -0.13 0.00 -1.56 0.00 0.00 34.95 29.73 1bql s ARG 40 CO -0.08 -0.49 1.15 -2.30 -0.81 0.00 0.00 175.30 172.77 1bql n PRO 41 N 4.86 1.74 0.00 5.12 -0.02 -1.26 0.63 135.00 146.07 1bql n PRO 41 Ca -0.14 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1bql n PRO 41 Cb 0.47 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1bql n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bql n GLY 42 N 0.99 2.14 0.06 -1.23 0.00 -1.26 -4.58 105.19 101.32 1bql n GLY 42 Ca 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.67 1bql n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bql n HIS 43 N 0.00 0.21 -3.12 1.61 -0.00 -0.90 -5.09 115.22 107.93 1bql n HIS 43 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1bql n HIS 43 Cb 0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 29.99 29.19 1bql n HIS 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bql n GLY 44 N 1.46 -0.87 3.79 1.57 0.00 0.21 -4.93 105.19 106.42 1bql n GLY 44 Ca -0.15 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1bql n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bql s LEU 45 N 0.00 4.51 -0.03 0.99 1.43 -1.26 -2.26 118.68 122.07 1bql s LEU 45 Ca 0.00 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 1bql s LEU 45 Cb 0.00 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.84 1bql s LEU 45 CO 0.00 0.15 -0.07 -1.61 0.23 0.00 0.00 176.35 175.06 1bql s GLU 46 N -1.41 0.80 -0.13 1.70 2.02 0.48 -4.97 118.70 117.20 1bql s GLU 46 Ca 0.38 -0.21 -0.19 0.00 0.02 0.00 0.00 54.97 54.97 1bql s GLU 46 Cb -0.21 -0.77 -0.04 0.00 0.10 0.00 0.00 34.13 33.21 1bql s GLU 46 CO 0.24 0.05 0.51 -0.46 0.02 0.00 0.00 175.26 175.62 1bql s TRP 47 N 0.36 3.50 -0.05 1.61 -0.00 -1.26 -0.54 118.94 122.55 1bql s TRP 47 Ca -0.05 0.91 -0.01 0.00 -0.00 0.00 0.00 56.10 56.96 1bql s TRP 47 Cb -0.09 -2.60 -0.00 0.00 -0.00 0.00 0.00 33.47 30.78 1bql s TRP 47 CO 0.00 0.12 -0.01 0.82 -0.00 0.00 0.00 176.95 177.88 1bql h ILE 48 N 4.79 0.00 0.00 5.86 1.08 -1.04 -3.42 117.51 124.77 1bql h ILE 48 Ca -0.40 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1bql h ILE 48 Cb 1.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1bql h ILE 48 CO 0.75 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.82 1bql n GLY 49 N 1.87 -1.09 3.78 5.37 0.00 -1.17 -0.83 105.19 113.12 1bql n GLY 49 Ca -0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1bql n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bql s GLU 50 N -0.82 1.71 -0.16 1.61 -1.05 0.47 -1.23 118.70 119.24 1bql s GLU 50 Ca 0.00 -1.02 -0.12 0.00 -0.15 0.00 0.00 54.97 53.67 1bql s GLU 50 Cb 0.00 0.58 0.05 0.00 -0.44 0.00 0.00 34.13 34.31 1bql s GLU 50 CO 0.00 -0.77 0.40 -1.50 0.95 0.00 0.00 175.26 174.35 1bql s ILE 51 N -3.93 -0.01 -0.68 1.83 2.07 -0.83 -1.62 121.20 118.03 1bql s ILE 51 Ca 0.13 0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.23 1bql s ILE 51 Cb -0.05 -0.58 0.14 0.00 0.13 0.00 0.00 42.46 42.11 1bql s ILE 51 CO 0.06 0.01 0.73 -0.22 -1.91 0.00 0.00 174.94 173.62 1bql s LEU 52 N 0.60 5.85 0.21 8.50 2.96 -0.06 -1.59 118.68 135.14 1bql s LEU 52 Ca -0.03 -1.89 -0.05 0.00 -0.22 0.00 0.00 54.13 51.93 1bql s LEU 52 Cb -0.05 -2.27 0.38 0.00 0.50 0.00 0.00 46.19 44.75 1bql s LEU 52 CO -0.04 -0.93 1.18 -2.65 -1.32 0.00 0.00 176.35 172.60 1bql n PRO 53 N 5.56 -0.07 -0.00 0.98 -0.02 -1.26 -1.78 135.00 138.42 1bql n PRO 53 Ca -0.00 1.17 -0.09 0.00 -2.02 0.00 0.00 63.50 62.55 1bql n PRO 53 Cb 0.44 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 1bql n PRO 53 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1bql h GLY 54 N 0.00 -0.01 0.51 -1.23 0.00 -1.33 -3.22 103.07 97.79 1bql h GLY 54 Ca 0.38 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1bql h GLY 54 CO -0.77 -0.11 -1.10 -1.14 0.00 0.00 0.00 176.54 173.42 1bql n SER 55 N -5.25 0.60 -0.47 0.19 3.41 -0.73 -4.95 113.62 106.43 1bql n SER 55 Ca -0.03 -0.25 -0.05 0.00 -0.26 0.00 0.00 58.87 58.28 1bql n SER 55 Cb 0.17 0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 65.00 1bql n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bql n GLY 56 N 1.37 0.44 3.78 5.00 0.00 -0.92 -5.01 105.19 109.86 1bql n GLY 56 Ca 0.02 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1bql n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bql s SER 57 N -2.86 7.10 -0.00 1.61 0.01 -1.25 -4.89 113.70 113.42 1bql s SER 57 Ca 0.00 1.30 0.04 0.00 1.31 0.00 0.00 55.95 58.60 1bql s SER 57 Cb 0.00 -2.39 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 1bql s SER 57 CO 0.00 0.19 -0.12 0.42 0.41 0.00 0.00 173.24 174.14 1bql s THR 58 N -0.73 0.96 0.00 1.44 -4.23 -1.26 -0.89 115.64 110.93 1bql s THR 58 Ca 0.31 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 1bql s THR 58 Cb -0.20 -0.81 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 1bql s THR 58 CO 0.20 0.21 -0.20 0.20 -0.54 0.00 0.00 174.62 174.49 1bql s ASN 59 N -0.44 2.37 0.08 3.99 0.01 -0.64 -4.97 114.94 115.33 1bql s ASN 59 Ca 0.04 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 1bql s ASN 59 Cb -0.05 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.33 1bql s ASN 59 CO -0.00 0.22 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.38 1bql s TYR 60 N -0.57 1.10 0.51 2.20 1.51 -1.26 -0.39 117.35 120.45 1bql s TYR 60 Ca 0.08 -0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 55.45 1bql s TYR 60 Cb -0.08 -0.61 -0.08 0.00 -0.11 0.00 0.00 41.96 41.08 1bql s TYR 60 CO -0.00 0.03 0.99 -1.58 -1.11 0.00 0.00 175.55 173.87 1bql s HIS 61 N -1.63 3.41 0.32 2.71 5.65 -0.01 -4.87 115.29 120.87 1bql s HIS 61 Ca -0.01 1.48 0.08 0.00 0.25 0.00 0.00 55.06 56.86 1bql s HIS 61 Cb -0.08 -2.81 0.92 0.00 -1.18 0.00 0.00 32.58 29.43 1bql s HIS 61 CO 0.01 -0.40 1.62 1.05 -0.65 0.00 0.00 174.74 176.37 1bql h GLU 62 N 0.95 0.13 -0.02 2.88 4.11 -1.93 -1.83 114.58 118.88 1bql h GLU 62 Ca -0.47 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 58.81 1bql h GLU 62 Cb 1.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1bql h GLU 62 CO 0.61 0.09 -0.64 0.00 0.07 0.00 0.00 179.01 179.14 1bql h ARG 63 N 0.14 0.07 -0.42 1.06 2.47 -1.94 -3.25 114.38 112.50 1bql h ARG 63 Ca 0.66 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.33 1bql h ARG 63 Cb 1.47 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 1bql h ARG 63 CO -0.73 0.68 0.00 1.19 0.56 0.00 0.00 179.97 181.67 1bql n PHE 64 N -3.80 0.56 -2.37 3.04 3.72 -0.71 -4.78 117.46 113.11 1bql n PHE 64 Ca -0.02 -0.45 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 1bql n PHE 64 Cb 0.63 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 1bql n PHE 64 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1bql s LYS 65 N -1.02 4.37 0.00 -1.08 -2.85 -1.05 -1.60 119.74 116.50 1bql s LYS 65 Ca 0.30 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 57.08 1bql s LYS 65 Cb 0.16 -3.45 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 1bql s LYS 65 CO 0.21 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1bql n GLY 66 N 3.38 2.98 0.09 0.59 0.00 -1.26 -4.69 105.19 106.28 1bql n GLY 66 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1bql n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bql n LYS 67 N -0.26 0.62 -4.26 1.61 3.00 -1.04 -4.76 118.16 113.08 1bql n LYS 67 Ca 0.00 0.16 -0.19 0.00 -0.00 0.00 0.00 58.31 58.28 1bql n LYS 67 Cb 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 35.03 33.13 1bql n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bql s ALA 68 N -3.04 1.12 -0.01 3.14 0.00 -0.63 -1.18 121.76 121.16 1bql s ALA 68 Ca -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1bql s ALA 68 Cb 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1bql s ALA 68 CO 0.82 0.18 -0.02 0.99 0.00 0.00 0.00 175.76 177.73 1bql s THR 69 N -1.04 0.21 0.09 0.00 2.01 -0.94 -4.81 115.64 111.17 1bql s THR 69 Ca -0.01 -0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.02 1bql s THR 69 Cb -0.09 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1bql s THR 69 CO 0.02 0.08 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.47 1bql s PHE 70 N 0.21 2.49 0.13 4.92 0.08 -1.26 -1.75 117.98 122.80 1bql s PHE 70 Ca -0.02 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 1bql s PHE 70 Cb -0.04 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 1bql s PHE 70 CO -0.01 0.32 0.03 0.95 -0.10 0.00 0.00 175.22 176.42 1bql s THR 71 N -1.05 0.22 -0.16 0.64 -4.23 -0.96 -5.00 115.64 105.10 1bql s THR 71 Ca 0.16 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 1bql s THR 71 Cb -0.10 -1.98 0.05 0.00 1.34 0.00 0.00 72.50 71.80 1bql s THR 71 CO 0.08 -0.54 0.41 0.00 -0.54 0.00 0.00 174.62 174.02 1bql s ALA 72 N -3.96 -1.02 -0.38 3.99 0.00 -1.26 -1.11 121.76 118.02 1bql s ALA 72 Ca 0.22 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 1bql s ALA 72 Cb 0.07 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.53 1bql s ALA 72 CO 0.00 -0.22 0.16 0.34 0.00 0.00 0.00 175.76 176.05 1bql s ASP 73 N 0.60 5.18 0.58 0.00 2.15 -0.08 -4.98 116.67 120.12 1bql s ASP 73 Ca -0.03 -1.84 0.29 0.00 0.43 0.00 0.00 52.55 51.40 1bql s ASP 73 Cb -0.05 -1.81 1.46 0.00 -0.30 0.00 0.00 42.92 42.23 1bql s ASP 73 CO -0.04 -0.47 1.89 0.71 -0.17 0.00 0.00 175.17 177.08 1bql h THR 74 N 6.37 0.39 0.00 1.71 1.35 -1.92 -0.37 112.91 120.45 1bql h THR 74 Ca -0.15 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.54 1bql h THR 74 Cb 1.05 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.04 1bql h THR 74 CO 0.66 0.00 -1.17 0.77 -0.25 0.00 0.00 175.52 175.53 1bql h SER 75 N 0.00 0.00 -0.02 5.36 4.64 -1.94 -3.27 113.55 118.32 1bql h SER 75 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1bql h SER 75 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bql h SER 75 CO -0.00 0.65 -0.14 -1.54 -0.87 0.00 0.00 176.83 174.93 1bql n SER 76 N -3.04 2.45 -3.64 4.97 3.41 -0.57 -4.97 113.62 112.22 1bql n SER 76 Ca -0.06 -1.72 -0.23 0.00 -0.26 0.00 0.00 58.87 56.60 1bql n SER 76 Cb 0.85 0.16 0.06 0.00 -0.26 0.00 0.00 64.21 65.01 1bql n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bql n SER 77 N 0.77 -3.52 -4.60 4.04 7.64 -0.25 -4.87 113.62 112.83 1bql n SER 77 Ca 0.11 -0.68 -0.29 0.00 1.01 0.00 0.00 58.87 59.01 1bql n SER 77 Cb 0.48 -4.58 -0.09 0.00 -1.01 0.00 0.00 64.21 59.01 1bql n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bql s THR 78 N -3.42 3.47 0.05 0.44 2.01 -1.18 -2.03 115.64 114.98 1bql s THR 78 Ca 0.29 -1.28 0.05 0.00 0.31 0.00 0.00 61.69 61.06 1bql s THR 78 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1bql s THR 78 CO 0.77 0.08 -0.14 0.00 -0.69 0.00 0.00 174.62 174.64 1bql s ALA 79 N -1.30 1.13 0.03 7.40 0.00 -0.30 -0.90 121.76 127.80 1bql s ALA 79 Ca 0.23 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1bql s ALA 79 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1bql s ALA 79 CO 0.15 0.19 -0.11 0.71 0.00 0.00 0.00 175.76 176.70 1bql s TYR 80 N -1.01 0.93 0.01 0.00 1.51 -0.26 -0.20 117.35 118.32 1bql s TYR 80 Ca -0.00 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 1bql s TYR 80 Cb -0.09 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1bql s TYR 80 CO 0.02 -0.01 -0.25 1.41 -1.11 0.00 0.00 175.55 175.61 1bql s MET 81 N -0.94 1.97 -0.15 -0.62 1.75 -0.37 -2.27 119.30 118.68 1bql s MET 81 Ca -0.01 -1.01 0.01 0.00 -1.25 0.00 0.00 55.69 53.43 1bql s MET 81 Cb -0.07 -2.03 -0.00 0.00 2.84 0.00 0.00 34.83 35.57 1bql s MET 81 CO 0.01 0.54 -0.16 -1.14 -0.65 0.00 0.00 175.02 173.61 1bql s GLN 82 N -0.98 3.20 -0.19 4.11 0.74 -0.72 -0.88 119.66 124.95 1bql s GLN 82 Ca 0.11 -0.76 -0.07 0.00 0.05 0.00 0.00 55.36 54.69 1bql s GLN 82 Cb -0.10 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 1bql s GLN 82 CO 0.01 0.04 0.04 -0.51 -0.55 0.00 0.00 175.29 174.32 1bql s LEU 83 N 0.75 3.64 -0.07 3.68 1.43 -0.41 -2.20 118.68 125.50 1bql s LEU 83 Ca -0.07 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1bql s LEU 83 Cb -0.16 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1bql s LEU 83 CO 0.01 0.14 0.27 0.20 0.23 0.00 0.00 176.35 177.20 1bql s ASN 84 N 0.56 6.57 -1.28 2.29 0.01 -0.33 -1.74 114.94 121.03 1bql s ASN 84 Ca 0.02 0.68 -0.01 0.00 -0.71 0.00 0.00 52.86 52.85 1bql s ASN 84 Cb -0.13 -2.16 -0.00 0.00 0.41 0.00 0.00 41.25 39.37 1bql s ASN 84 CO 0.01 0.34 0.74 -1.20 -1.51 0.00 0.00 177.10 175.48 1bql n SER 85 N 2.10 -1.46 -4.63 -1.22 7.64 -1.18 -4.84 113.62 110.03 1bql n SER 85 Ca -0.16 -0.80 -0.46 0.00 1.01 0.00 0.00 58.87 58.46 1bql n SER 85 Cb 0.53 -4.19 -0.03 0.00 -1.01 0.00 0.00 64.21 59.52 1bql n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bql n LEU 86 N -4.23 2.41 0.00 -3.43 4.77 0.54 -4.47 117.00 112.59 1bql n LEU 86 Ca -0.29 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1bql n LEU 86 Cb 0.67 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1bql n LEU 86 CO 0.67 -0.93 0.00 0.35 -1.33 0.00 0.00 177.39 176.15 1bql n THR 87 N 1.20 0.00 0.01 -5.08 -2.24 -1.26 -0.79 114.28 106.12 1bql n THR 87 Ca 0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1bql n THR 87 Cb 0.30 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.65 1bql n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1bql h SER 88 N 0.00 0.54 0.00 3.42 4.64 -1.96 -2.94 113.55 117.24 1bql h SER 88 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1bql h SER 88 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1bql h SER 88 CO 0.00 0.90 0.00 -0.62 -0.87 0.00 0.00 176.83 176.24 1bql n GLU 89 N -4.01 0.83 0.00 4.77 4.71 -1.26 -1.77 120.64 123.91 1bql n GLU 89 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.22 1bql n GLU 89 Cb 0.53 -1.10 0.03 0.00 -1.01 0.00 0.00 31.44 29.89 1bql n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bql n ASP 90 N -0.36 2.07 -4.73 1.62 9.92 -1.11 -4.95 116.55 119.00 1bql n ASP 90 Ca 0.00 -1.53 -0.42 0.00 -0.53 0.00 0.00 54.79 52.31 1bql n ASP 90 Cb 0.05 0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.75 1bql n ASP 90 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1bql s SER 91 N -1.75 6.70 0.00 -2.24 0.01 -0.73 -4.85 113.70 110.85 1bql s SER 91 Ca 0.17 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.96 1bql s SER 91 Cb 0.14 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1bql s SER 91 CO 0.33 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1bql n GLY 92 N 3.07 -1.17 3.31 3.44 0.00 -0.92 -4.78 105.19 108.14 1bql n GLY 92 Ca 0.10 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 1bql n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bql s VAL 93 N -3.00 2.81 -0.17 1.61 1.01 0.17 -1.27 120.40 121.56 1bql s VAL 93 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1bql s VAL 93 Cb 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1bql s VAL 93 CO 0.00 0.52 -0.03 -0.31 0.00 0.00 0.00 175.10 175.28 1bql s TYR 94 N 0.60 3.01 -0.10 5.22 1.51 -0.91 -0.77 117.35 125.90 1bql s TYR 94 Ca -0.08 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1bql s TYR 94 Cb -0.16 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1bql s TYR 94 CO 0.03 -0.15 -0.06 0.71 -1.11 0.00 0.00 175.55 174.97 1bql s TYR 95 N 0.64 2.96 0.11 2.71 2.02 -0.30 -1.67 117.35 123.83 1bql s TYR 95 Ca -0.02 -0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 1bql s TYR 95 Cb -0.14 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1bql s TYR 95 CO 0.02 0.18 0.08 0.00 -1.57 0.00 0.00 175.55 174.27 1bql s LEU 97 N -2.62 0.01 0.12 0.00 2.34 -0.92 0.04 118.68 117.66 1bql s LEU 97 Ca 0.29 -0.51 0.09 0.00 0.06 0.00 0.00 54.13 54.06 1bql s LEU 97 Cb -0.11 2.22 -0.04 0.00 -0.56 0.00 0.00 46.19 47.69 1bql s LEU 97 CO 0.22 -1.10 -0.18 -1.00 -1.06 0.00 0.00 176.35 173.23 1bql s HIS 98 N -3.89 2.53 -0.46 3.48 3.76 -0.37 -1.24 115.29 119.10 1bql s HIS 98 Ca 0.10 -0.27 0.07 0.00 -0.15 0.00 0.00 55.06 54.81 1bql s HIS 98 Cb -0.02 -1.33 0.27 0.00 1.11 0.00 0.00 32.58 32.62 1bql s HIS 98 CO -0.01 0.40 0.90 0.41 -0.85 0.00 0.00 174.74 175.59 1bql n GLY 99 N 0.74 0.81 1.97 -2.22 0.00 -1.26 -4.11 105.19 101.12 1bql n GLY 99 Ca -0.15 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 1bql n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bql n ASN 100 N 1.12 1.37 -0.28 1.61 0.23 -0.94 -5.05 115.26 113.33 1bql n ASN 100 Ca 0.11 -2.27 0.15 0.00 -0.53 0.00 0.00 54.58 52.04 1bql n ASN 100 Cb 0.64 0.54 0.70 0.00 -2.08 0.00 0.00 39.78 39.58 1bql n ASN 100 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1bql n TYR 101 N -0.56 0.00 -0.09 -2.53 4.01 -1.26 -3.97 117.16 112.76 1bql n TYR 101 Ca -0.05 -0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 1bql n TYR 101 Cb 0.36 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.27 1bql n TYR 101 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1bql n ASP 102 N -0.32 1.58 -3.97 7.72 9.92 -1.26 -5.05 116.55 125.17 1bql n ASP 102 Ca 0.21 -0.04 -0.09 0.00 -0.53 0.00 0.00 54.79 54.33 1bql n ASP 102 Cb 0.25 0.42 -0.06 0.00 -0.64 0.00 0.00 41.12 41.10 1bql n ASP 102 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1bql s PHE 103 N -2.40 0.38 0.00 1.24 -0.71 -1.25 -5.06 117.98 110.18 1bql s PHE 103 Ca -0.15 -0.73 0.01 0.00 -1.04 0.00 0.00 56.93 55.02 1bql s PHE 103 Cb 0.06 0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.97 1bql s PHE 103 CO 0.58 -0.88 0.73 -0.40 -1.34 0.00 0.00 175.22 173.92 1bql n ASP 104 N -0.32 -0.04 -4.77 1.98 5.68 -1.26 -2.21 116.55 115.61 1bql n ASP 104 Ca -0.04 -1.45 -0.41 0.00 -0.50 0.00 0.00 54.79 52.39 1bql n ASP 104 Cb 0.63 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.54 1bql n ASP 104 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1bql s GLY 105 N -0.50 2.87 0.44 6.12 0.00 -1.26 -4.37 107.32 110.61 1bql s GLY 105 Ca 0.02 1.37 0.07 0.00 0.00 0.00 0.00 44.72 46.18 1bql s GLY 105 CO -0.01 2.08 0.60 -0.98 0.00 0.00 0.00 173.10 174.79 1bql s TRP 106 N -0.95 2.84 0.65 1.90 0.52 -1.26 -1.24 118.94 121.40 1bql s TRP 106 Ca 0.52 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.34 1bql s TRP 106 Cb -0.42 -2.41 0.10 0.00 -1.15 0.00 0.00 33.47 29.58 1bql s TRP 106 CO 0.54 -0.46 0.89 0.20 0.02 0.00 0.00 176.95 178.14 1bql s GLY 107 N -4.35 1.77 0.27 0.98 0.00 0.11 -4.83 107.32 101.27 1bql s GLY 107 Ca 0.55 -1.80 0.23 0.00 0.00 0.00 0.00 44.72 43.70 1bql s GLY 107 CO 0.34 -1.31 1.36 -1.61 0.00 0.00 0.00 173.10 171.87 1bql h GLN 108 N -0.20 0.00 0.00 2.90 5.75 -1.88 -3.43 115.11 118.25 1bql h GLN 108 Ca -0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 1bql h GLN 108 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1bql h GLN 108 CO 0.42 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 177.01 1bql n GLY 109 N 1.19 2.75 3.08 2.39 0.00 -1.26 -5.01 105.19 108.34 1bql n GLY 109 Ca 0.02 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1bql n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bql s THR 110 N -2.14 1.89 0.39 2.61 2.01 -0.67 -4.87 115.64 114.86 1bql s THR 110 Ca 0.00 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1bql s THR 110 Cb 0.00 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.71 1bql s THR 110 CO 0.00 0.49 0.74 -0.89 -0.69 0.00 0.00 174.62 174.27 1bql s THR 111 N 1.35 4.81 -0.06 -0.82 2.01 -1.26 -2.15 115.64 119.53 1bql s THR 111 Ca 0.04 0.56 -0.03 0.00 0.31 0.00 0.00 61.69 62.58 1bql s THR 111 Cb -0.13 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1bql s THR 111 CO -0.12 -0.49 0.12 -0.22 -0.69 0.00 0.00 174.62 173.22 1bql s LEU 112 N -3.80 0.37 -0.13 4.42 2.96 -0.39 -0.16 118.68 121.94 1bql s LEU 112 Ca 0.50 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1bql s LEU 112 Cb -0.10 0.20 -0.01 0.00 0.50 0.00 0.00 46.19 46.78 1bql s LEU 112 CO 0.31 -0.20 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.10 1bql s THR 113 N 1.74 2.85 -0.40 3.68 2.01 0.25 -2.16 115.64 123.62 1bql s THR 113 Ca -0.02 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1bql s THR 113 Cb -0.12 -2.19 0.06 0.00 0.01 0.00 0.00 72.50 70.26 1bql s THR 113 CO -0.05 0.52 0.22 -0.69 -0.69 0.00 0.00 174.62 173.94 1bql s VAL 114 N 0.49 4.29 -0.13 3.82 1.01 -1.26 -1.15 120.40 127.47 1bql s VAL 114 Ca -0.10 -1.19 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 1bql s VAL 114 Cb -0.16 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1bql s VAL 114 CO 0.05 -0.38 0.58 -0.94 0.00 0.00 0.00 175.10 174.41 1bql s SER 115 N 1.85 -0.57 0.00 3.32 1.04 -0.12 -4.62 113.70 114.61 1bql s SER 115 Ca 0.02 0.85 0.29 0.00 0.48 0.00 0.00 55.95 57.59 1bql s SER 115 Cb -0.21 0.83 1.21 0.00 0.10 0.00 0.00 66.02 67.95 1bql s SER 115 CO 0.04 -0.39 1.89 -1.54 0.98 0.00 0.00 173.24 174.21 1bql n SER 116 N 1.85 0.10 -4.35 7.02 3.41 -1.26 -4.16 113.62 116.23 1bql n SER 116 Ca -0.17 0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.33 1bql n SER 116 Cb 0.56 -0.32 0.23 0.00 -0.26 0.00 0.00 64.21 64.42 1bql n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bql s ALA 117 N -2.86 0.01 0.11 7.33 0.00 -1.26 -5.05 121.76 120.04 1bql s ALA 117 Ca 0.18 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.82 1bql s ALA 117 Cb 0.19 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1bql s ALA 117 CO 0.53 -3.62 -0.19 0.21 0.00 0.00 0.00 175.76 172.69 1bql s LYS 118 N -4.81 1.79 -0.47 0.00 2.20 -1.26 -5.03 119.74 112.16 1bql s LYS 118 Ca 0.68 -1.17 -0.27 0.00 -0.36 0.00 0.00 55.97 54.85 1bql s LYS 118 Cb -0.20 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 1bql s LYS 118 CO 0.61 0.49 1.91 0.99 -0.36 0.00 0.00 175.35 178.98 1bql s THR 119 N -1.10 3.36 -0.21 3.43 2.01 -1.26 -4.63 115.64 117.23 1bql s THR 119 Ca 0.17 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.31 1bql s THR 119 Cb -0.10 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1bql s THR 119 CO 0.09 -0.57 0.39 -0.89 -0.69 0.00 0.00 174.62 172.95 1bql s THR 120 N 8.48 5.20 0.67 -0.82 2.01 -1.01 -4.93 115.64 125.24 1bql s THR 120 Ca 0.77 0.67 -0.16 0.00 0.31 0.00 0.00 61.69 63.28 1bql s THR 120 Cb -0.18 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.62 1bql s THR 120 CO 0.27 0.24 1.16 -2.84 -0.69 0.00 0.00 174.62 172.76 1bql s PRO 121 N 1.38 2.61 0.45 4.92 0.02 -1.26 -2.09 135.00 141.03 1bql s PRO 121 Ca 0.18 1.58 -0.03 0.00 0.02 0.00 0.00 61.00 62.75 1bql s PRO 121 Cb -0.15 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 1bql s PRO 121 CO 0.08 -1.44 0.71 -1.25 -0.33 0.00 0.00 177.00 174.78 1bql s PRO 122 N -3.90 3.40 0.07 5.54 0.04 -1.26 -4.44 135.00 134.45 1bql s PRO 122 Ca 0.71 -0.07 -0.06 0.00 0.04 0.00 0.00 61.00 61.63 1bql s PRO 122 Cb -0.25 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1bql s PRO 122 CO 0.41 -0.16 0.31 -1.12 0.04 0.00 0.00 177.00 176.48 1bql s SER 123 N -4.12 6.50 -0.23 6.66 0.01 -0.28 -4.95 113.70 117.28 1bql s SER 123 Ca 0.46 0.56 -0.00 0.00 1.31 0.00 0.00 55.95 58.28 1bql s SER 123 Cb -0.10 -2.08 0.06 0.00 0.21 0.00 0.00 66.02 64.11 1bql s SER 123 CO 0.41 0.17 -0.02 -0.69 0.41 0.00 0.00 173.24 173.52 1bql s VAL 124 N -1.45 1.24 -0.31 3.43 1.01 -1.26 -1.31 120.40 121.75 1bql s VAL 124 Ca 0.33 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1bql s VAL 124 Cb -0.13 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1bql s VAL 124 CO 0.20 -0.17 0.15 -0.31 0.00 0.00 0.00 175.10 174.98 1bql s TYR 125 N 1.52 3.17 0.42 5.22 2.02 0.04 -4.96 117.35 124.79 1bql s TYR 125 Ca -0.03 -0.54 -0.26 0.00 -0.37 0.00 0.00 57.07 55.87 1bql s TYR 125 Cb -0.18 -2.35 -0.09 0.00 -0.40 0.00 0.00 41.96 38.94 1bql s TYR 125 CO -0.08 -0.44 1.40 -1.25 -1.57 0.00 0.00 175.55 173.62 1bql s PRO 126 N 1.62 3.88 -0.21 -1.71 0.04 -1.26 -1.91 135.00 135.44 1bql s PRO 126 Ca 0.05 2.38 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1bql s PRO 126 Cb -0.17 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.62 1bql s PRO 126 CO 0.06 -0.65 -0.13 -0.51 0.04 0.00 0.00 177.00 175.82 1bql s LEU 127 N -2.47 2.57 0.01 -3.56 1.43 0.13 -4.89 118.68 111.90 1bql s LEU 127 Ca 0.58 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1bql s LEU 127 Cb -0.43 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1bql s LEU 127 CO 0.56 -0.03 -0.09 0.00 0.23 0.00 0.00 176.35 177.01 1bql s ALA 128 N 1.34 0.74 0.07 4.21 0.00 -1.26 -2.29 121.76 124.57 1bql s ALA 128 Ca 0.04 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 1bql s ALA 128 Cb -0.14 -0.14 -0.14 0.00 0.00 0.00 0.00 23.12 22.69 1bql s ALA 128 CO -0.09 0.15 1.31 -1.00 0.00 0.00 0.00 175.76 176.13 1bql h PRO 129 N 5.57 0.63 0.00 0.00 0.13 -1.93 -3.48 132.00 132.93 1bql h PRO 129 Ca -0.32 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1bql h PRO 129 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1bql h PRO 129 CO 0.47 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.72 1bql n GLY 130 N 0.52 2.09 2.64 1.56 0.00 -1.26 -4.54 105.19 106.19 1bql n GLY 130 Ca -0.06 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1bql n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bql n SER 131 N 4.26 5.97 -4.55 1.61 7.64 -1.26 -4.92 113.62 122.37 1bql n SER 131 Ca 0.00 -2.93 -0.13 0.00 1.01 0.00 0.00 58.87 56.82 1bql n SER 131 Cb 0.00 -1.53 -0.10 0.00 -1.01 0.00 0.00 64.21 61.57 1bql n SER 131 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bql n ALA 132 N 4.11 0.26 -3.36 -0.43 0.00 -1.26 -4.84 120.51 115.00 1bql n ALA 132 Ca 0.55 -1.87 -0.45 0.00 0.00 0.00 0.00 53.44 51.67 1bql n ALA 132 Cb 0.32 -3.20 -0.06 0.00 0.00 0.00 0.00 19.45 16.52 1bql n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bql s ALA 133 N 15.62 3.61 -0.29 0.00 0.00 -1.26 -4.94 121.76 134.51 1bql s ALA 133 Ca 0.84 -2.56 -0.39 0.00 0.00 0.00 0.00 51.96 49.85 1bql s ALA 133 Cb -0.09 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 1bql s ALA 133 CO 0.15 -2.00 1.84 1.04 0.00 0.00 0.00 175.76 176.79 1bql n GLN 134 N 5.16 1.19 -0.02 0.00 1.13 -1.26 -4.83 117.38 118.75 1bql n GLN 134 Ca -0.12 0.42 -0.16 0.00 -1.94 0.00 0.00 57.00 55.20 1bql n GLN 134 Cb 0.40 -2.18 -0.12 0.00 0.11 0.00 0.00 30.24 28.45 1bql n GLN 134 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1bql h THR 135 N 5.62 1.57 -2.19 5.09 1.35 -1.92 -3.49 112.91 118.94 1bql h THR 135 Ca -0.42 -2.14 -0.00 0.00 -0.55 0.00 0.00 66.41 63.30 1bql h THR 135 Cb 1.32 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 1bql h THR 135 CO 0.98 0.59 0.06 0.59 -0.25 0.00 0.00 175.52 177.48 1bql n ASN 136 N -4.42 -0.48 -2.81 5.36 4.13 -1.26 -5.03 115.26 110.75 1bql n ASN 136 Ca -0.11 -1.33 -0.30 0.00 1.68 0.00 0.00 54.58 54.53 1bql n ASN 136 Cb 0.58 0.79 -0.06 0.00 -1.54 0.00 0.00 39.78 39.55 1bql n ASN 136 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1bql n SER 137 N -1.10 7.04 -3.74 6.41 7.64 -1.26 -4.78 113.62 123.83 1bql n SER 137 Ca -0.02 -2.98 -0.26 0.00 1.01 0.00 0.00 58.87 56.63 1bql n SER 137 Cb 0.12 -1.35 -0.17 0.00 -1.01 0.00 0.00 64.21 61.81 1bql n SER 137 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1bql s MET 138 N -0.56 0.61 -0.19 1.43 0.00 -1.26 -1.11 119.30 118.22 1bql s MET 138 Ca 0.60 -0.23 -0.10 0.00 0.00 0.00 0.00 55.69 55.96 1bql s MET 138 Cb 0.28 -1.73 -0.05 0.00 0.00 0.00 0.00 34.83 33.33 1bql s MET 138 CO -0.12 -0.53 0.16 0.54 0.00 0.00 0.00 175.02 175.06 1bql s VAL 139 N 1.91 5.40 -0.12 10.11 0.11 -0.07 -4.77 120.40 132.97 1bql s VAL 139 Ca 0.01 0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1bql s VAL 139 Cb -0.15 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1bql s VAL 139 CO -0.07 0.44 0.00 -0.89 -3.33 0.00 0.00 175.10 171.25 1bql s THR 140 N 0.33 4.31 -0.10 5.04 2.01 -1.26 -0.96 115.64 125.01 1bql s THR 140 Ca 0.10 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 1bql s THR 140 Cb -0.11 -2.86 0.04 0.00 0.01 0.00 0.00 72.50 69.58 1bql s THR 140 CO -0.01 0.55 0.25 -1.48 -0.69 0.00 0.00 174.62 173.25 1bql s LEU 141 N -0.34 0.65 0.00 4.42 0.05 -0.58 -4.74 118.68 118.14 1bql s LEU 141 Ca 0.07 0.53 0.00 0.00 0.05 0.00 0.00 54.13 54.78 1bql s LEU 141 Cb -0.12 0.81 0.00 0.00 -2.05 0.00 0.00 46.19 44.83 1bql s LEU 141 CO 0.02 -0.13 0.00 0.61 -0.55 0.00 0.00 176.35 176.30 1bql n GLY 142 N 3.70 5.49 2.99 -3.48 0.00 -0.97 -2.58 105.19 110.34 1bql n GLY 142 Ca -0.20 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 1bql n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bql s LEU 144 N 0.81 4.68 -0.25 0.00 2.96 -0.80 -1.62 118.68 124.46 1bql s LEU 144 Ca -0.12 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 1bql s LEU 144 Cb -0.15 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1bql s LEU 144 CO 0.02 -0.56 0.02 0.68 -1.32 0.00 0.00 176.35 175.19 1bql s VAL 145 N 2.25 3.80 0.00 1.68 -7.23 -0.51 -0.78 120.40 119.62 1bql s VAL 145 Ca 0.14 -0.44 0.06 0.00 -1.81 0.00 0.00 61.98 59.93 1bql s VAL 145 Cb -0.16 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 1bql s VAL 145 CO 0.14 0.31 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.30 1bql s LYS 146 N 1.53 1.47 -0.10 4.82 2.20 -0.43 -0.41 119.74 128.82 1bql s LYS 146 Ca 0.05 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1bql s LYS 146 Cb -0.15 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 1bql s LYS 146 CO 0.00 0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 1bql n GLY 147 N 2.37 0.43 3.93 5.54 0.00 -0.83 -1.13 105.19 115.49 1bql n GLY 147 Ca -0.16 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 1bql n GLY 147 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bql s TYR 148 N -2.04 3.52 -0.09 1.61 1.13 -1.21 -4.62 117.35 115.66 1bql s TYR 148 Ca 0.00 0.54 -0.14 0.00 -1.41 0.00 0.00 57.07 56.06 1bql s TYR 148 Cb 0.00 -2.06 0.03 0.00 -1.10 0.00 0.00 41.96 38.84 1bql s TYR 148 CO 0.00 -0.02 0.35 0.12 -2.51 0.00 0.00 175.55 173.49 1bql s PHE 149 N -2.45 -0.32 0.00 -3.49 5.36 -0.89 -0.91 117.98 115.28 1bql s PHE 149 Ca 0.43 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 1bql s PHE 149 Cb -0.10 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 1bql s PHE 149 CO 0.39 -0.28 0.00 -0.35 -1.46 0.00 0.00 175.22 173.52 1bql n PRO 150 N 2.21 -0.19 -2.65 10.12 -0.04 -1.26 -2.41 135.00 140.77 1bql n PRO 150 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 1bql n PRO 150 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 1bql n PRO 150 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1bql s GLU 151 N -2.76 4.01 0.53 0.54 0.41 -1.26 -4.80 118.70 115.37 1bql s GLU 151 Ca 0.00 0.90 0.05 0.00 -0.41 0.00 0.00 54.97 55.51 1bql s GLU 151 Cb 0.00 -2.21 0.05 0.00 -1.78 0.00 0.00 34.13 30.19 1bql s GLU 151 CO 0.00 -0.13 0.43 -0.35 -0.49 0.00 0.00 175.26 174.73 1bql n PRO 152 N -1.17 0.70 -4.33 0.39 -0.04 -1.26 -5.02 135.00 124.27 1bql n PRO 152 Ca 0.06 -3.28 -0.18 0.00 -0.04 0.00 0.00 63.50 60.06 1bql n PRO 152 Cb 0.54 0.29 -0.10 0.00 -0.04 0.00 0.00 33.50 34.19 1bql n PRO 152 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bql s VAL 153 N -2.62 1.67 -0.42 0.52 0.11 -1.26 -4.32 120.40 114.08 1bql s VAL 153 Ca 0.33 -2.19 0.02 0.00 -2.93 0.00 0.00 61.98 57.21 1bql s VAL 153 Cb -0.03 -2.02 0.13 0.00 -1.53 0.00 0.00 36.38 32.94 1bql s VAL 153 CO 0.21 -0.61 0.22 0.42 -3.33 0.00 0.00 175.10 172.01 1bql s THR 154 N -3.01 1.34 0.30 5.04 -4.23 0.18 -4.93 115.64 110.32 1bql s THR 154 Ca 0.22 -2.43 -0.21 0.00 -1.18 0.00 0.00 61.69 58.09 1bql s THR 154 Cb -0.00 -1.95 -0.09 0.00 1.34 0.00 0.00 72.50 71.80 1bql s THR 154 CO 0.06 -0.87 0.82 0.54 -0.54 0.00 0.00 174.62 174.63 1bql s VAL 155 N 0.49 4.45 0.05 2.29 0.11 -1.26 -2.32 120.40 124.21 1bql s VAL 155 Ca 0.17 1.43 0.02 0.00 -2.93 0.00 0.00 61.98 60.67 1bql s VAL 155 Cb -0.24 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 1bql s VAL 155 CO -0.02 0.06 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.84 1bql s THR 156 N -1.70 0.59 -0.06 5.04 2.01 0.46 -4.97 115.64 117.01 1bql s THR 156 Ca 0.49 -1.17 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1bql s THR 156 Cb -0.15 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1bql s THR 156 CO 0.20 -0.41 -0.19 0.26 -0.69 0.00 0.00 174.62 173.79 1bql s TRP 157 N -1.56 2.59 -1.53 4.92 0.52 -1.26 0.65 118.94 123.26 1bql s TRP 157 Ca -0.08 -0.45 -0.01 0.00 0.02 0.00 0.00 56.10 55.59 1bql s TRP 157 Cb -0.09 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.61 1bql s TRP 157 CO 0.00 -0.03 0.11 -1.71 0.02 0.00 0.00 176.95 175.34 1bql n ASN 158 N 2.71 0.57 -1.95 2.95 2.85 0.12 -0.81 115.26 121.70 1bql n ASN 158 Ca -0.17 -1.22 -0.14 0.00 -0.11 0.00 0.00 54.58 52.93 1bql n ASN 158 Cb 0.52 -1.90 -0.03 0.00 1.24 0.00 0.00 39.78 39.61 1bql n ASN 158 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1bql n SER 159 N -2.89 -4.10 0.00 1.20 7.64 -1.26 -1.49 113.62 112.72 1bql n SER 159 Ca -0.31 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1bql n SER 159 Cb 0.69 -3.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.29 1bql n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bql n GLY 160 N -0.58 3.23 0.33 0.23 0.00 0.01 -4.95 105.19 103.45 1bql n GLY 160 Ca -0.16 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 44.82 1bql n GLY 160 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bql h SER 161 N 1.63 0.51 -2.76 1.61 0.02 -1.31 -3.30 113.55 109.95 1bql h SER 161 Ca 0.00 -0.01 -0.76 0.00 -0.84 0.00 0.00 61.79 60.18 1bql h SER 161 Cb 0.00 -0.12 -0.22 0.00 0.14 0.00 0.00 62.40 62.20 1bql h SER 161 CO 0.00 0.35 0.95 -0.22 -1.14 0.00 0.00 176.83 176.77 1bql s LEU 162 N -9.52 5.59 -0.22 5.07 0.20 -1.13 -4.66 118.68 114.01 1bql s LEU 162 Ca -0.09 -3.18 -0.16 0.00 0.69 0.00 0.00 54.13 51.39 1bql s LEU 162 Cb 0.18 -2.32 -0.18 0.00 -0.43 0.00 0.00 46.19 43.44 1bql s LEU 162 CO 0.75 -0.58 0.05 -1.54 -0.29 0.00 0.00 176.35 174.74 1bql n SER 163 N 4.52 1.93 -4.72 3.68 3.41 -1.25 -4.49 113.62 116.70 1bql n SER 163 Ca 0.31 0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 1bql n SER 163 Cb 0.42 -0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1bql n SER 163 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bql s SER 164 N -7.04 6.50 0.00 4.04 0.01 -1.26 -3.16 113.70 112.79 1bql s SER 164 Ca -0.31 2.73 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1bql s SER 164 Cb 0.09 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1bql s SER 164 CO 0.59 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1bql n GLY 165 N 3.75 0.66 3.90 3.44 0.00 -1.26 -4.76 105.19 110.92 1bql n GLY 165 Ca 0.14 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1bql n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bql s VAL 166 N -2.00 5.00 -0.40 1.61 1.01 -1.19 -2.96 120.40 121.47 1bql s VAL 166 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1bql s VAL 166 Cb 0.00 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.82 1bql s VAL 166 CO 0.00 -0.34 0.48 -1.00 0.00 0.00 0.00 175.10 174.24 1bql s HIS 167 N -2.11 -0.71 -0.17 5.22 3.76 -0.31 -4.91 115.29 116.06 1bql s HIS 167 Ca 0.45 -0.65 -0.23 0.00 -0.15 0.00 0.00 55.06 54.48 1bql s HIS 167 Cb -0.11 -0.17 -0.02 0.00 1.11 0.00 0.00 32.58 33.39 1bql s HIS 167 CO 0.30 -1.05 0.72 0.99 -0.85 0.00 0.00 174.74 174.85 1bql s THR 168 N 1.35 4.97 0.40 1.30 2.01 -1.26 -1.40 115.64 123.00 1bql s THR 168 Ca 0.20 1.39 -0.12 0.00 0.31 0.00 0.00 61.69 63.47 1bql s THR 168 Cb -0.09 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 1bql s THR 168 CO -0.05 0.09 0.79 -0.36 -0.69 0.00 0.00 174.62 174.40 1bql s PHE 169 N 1.90 3.44 0.45 4.92 0.40 -0.28 -5.00 117.98 123.82 1bql s PHE 169 Ca 0.33 1.13 -0.22 0.00 -0.60 0.00 0.00 56.93 57.58 1bql s PHE 169 Cb -0.16 -2.50 -0.09 0.00 0.51 0.00 0.00 43.02 40.78 1bql s PHE 169 CO 0.12 -0.09 1.05 -1.25 0.70 0.00 0.00 175.22 175.75 1bql s PRO 170 N -3.68 3.93 0.54 0.24 0.04 -1.26 -4.39 135.00 130.43 1bql s PRO 170 Ca 0.53 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 1bql s PRO 170 Cb -0.10 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1bql s PRO 170 CO 0.28 -0.33 1.35 0.00 0.04 0.00 0.00 177.00 178.34 1bql s ALA 171 N -1.83 2.83 -0.03 8.56 0.00 -1.26 -4.84 121.76 125.20 1bql s ALA 171 Ca 0.63 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.94 1bql s ALA 171 Cb -0.19 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1bql s ALA 171 CO 0.24 -1.33 -0.13 0.08 0.00 0.00 0.00 175.76 174.62 1bql s VAL 172 N -1.32 3.20 -0.07 0.00 1.01 -0.54 -4.90 120.40 117.78 1bql s VAL 172 Ca 0.71 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1bql s VAL 172 Cb -0.40 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1bql s VAL 172 CO 0.47 0.53 0.36 -0.22 0.00 0.00 0.00 175.10 176.24 1bql s LEU 173 N -0.93 4.37 0.00 3.92 2.96 -1.26 -0.96 118.68 126.77 1bql s LEU 173 Ca 0.13 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 1bql s LEU 173 Cb -0.11 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1bql s LEU 173 CO 0.02 0.22 0.00 0.00 -1.32 0.00 0.00 176.35 175.28 1bql n GLN 174 N 2.60 0.00 -0.00 1.98 0.00 0.41 -4.95 117.38 117.42 1bql n GLN 174 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.87 1bql n GLN 174 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 1bql n GLN 174 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1bql n SER 175 N 0.00 0.00 -1.64 2.61 3.41 -1.26 -3.87 113.62 112.87 1bql n SER 175 Ca 0.00 -1.50 -0.14 0.00 -0.26 0.00 0.00 58.87 56.97 1bql n SER 175 Cb 0.00 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1bql n SER 175 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bql n ASP 176 N 3.20 -4.32 -3.79 4.04 9.92 -1.26 -5.02 116.55 119.33 1bql n ASP 176 Ca 0.00 -0.03 -0.13 0.00 -0.53 0.00 0.00 54.79 54.10 1bql n ASP 176 Cb 0.00 -3.46 -0.09 0.00 -0.64 0.00 0.00 41.12 36.93 1bql n ASP 176 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1bql s LEU 177 N -4.07 1.04 0.27 0.64 1.43 -1.25 -4.88 118.68 111.86 1bql s LEU 177 Ca 0.02 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1bql s LEU 177 Cb -0.01 1.10 -0.02 0.00 0.03 0.00 0.00 46.19 47.29 1bql s LEU 177 CO 0.03 -0.42 0.40 -0.31 0.23 0.00 0.00 176.35 176.28 1bql s TYR 178 N -1.29 3.34 -0.00 0.29 2.02 -0.09 -0.44 117.35 121.17 1bql s TYR 178 Ca -0.13 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1bql s TYR 178 Cb -0.06 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1bql s TYR 178 CO 0.03 0.29 -0.03 0.99 -1.57 0.00 0.00 175.55 175.27 1bql s THR 179 N -2.05 0.21 0.09 -0.71 2.01 -0.14 -1.97 115.64 113.09 1bql s THR 179 Ca 0.38 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1bql s THR 179 Cb -0.09 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 1bql s THR 179 CO 0.30 0.05 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.98 1bql s LEU 180 N -0.08 2.42 0.02 4.42 2.96 0.45 -1.47 118.68 127.40 1bql s LEU 180 Ca 0.01 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 1bql s LEU 180 Cb -0.01 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.49 1bql s LEU 180 CO -0.00 -0.34 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.21 1bql s SER 181 N -2.53 0.36 -0.02 3.68 0.01 -1.26 -1.42 113.70 112.51 1bql s SER 181 Ca 0.05 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1bql s SER 181 Cb -0.01 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1bql s SER 181 CO -0.02 -0.21 0.02 -0.55 0.41 0.00 0.00 173.24 172.89 1bql s SER 182 N -1.18 0.15 0.15 2.44 0.15 -0.64 -1.13 113.70 113.65 1bql s SER 182 Ca -0.11 0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.60 1bql s SER 182 Cb -0.08 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1bql s SER 182 CO -0.00 -0.10 0.10 -0.44 1.20 0.00 0.00 173.24 173.99 1bql s SER 183 N 0.89 5.37 0.04 5.45 0.01 -0.50 -1.66 113.70 123.30 1bql s SER 183 Ca -0.08 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1bql s SER 183 Cb -0.11 -1.36 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 1bql s SER 183 CO -0.02 0.10 -0.07 0.54 0.41 0.00 0.00 173.24 174.20 1bql s VAL 184 N -1.66 0.46 -0.11 3.43 0.11 -1.07 -1.17 120.40 120.40 1bql s VAL 184 Ca 0.30 -1.11 -0.04 0.00 -2.93 0.00 0.00 61.98 58.20 1bql s VAL 184 Cb -0.10 -0.62 0.06 0.00 -1.53 0.00 0.00 36.38 34.18 1bql s VAL 184 CO 0.22 -0.45 0.22 -0.89 -3.33 0.00 0.00 175.10 170.88 1bql s THR 185 N -1.57 -0.33 0.15 5.04 2.01 -1.15 -1.53 115.64 118.25 1bql s THR 185 Ca -0.10 0.30 0.06 0.00 0.31 0.00 0.00 61.69 62.26 1bql s THR 185 Cb -0.09 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1bql s THR 185 CO -0.00 0.12 -0.14 0.68 -0.69 0.00 0.00 174.62 174.60 1bql s VAL 186 N 2.29 1.41 0.51 3.82 -7.23 -0.13 -4.79 120.40 116.27 1bql s VAL 186 Ca 0.01 -1.90 -0.22 0.00 -1.81 0.00 0.00 61.98 58.06 1bql s VAL 186 Cb -0.12 -1.72 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 1bql s VAL 186 CO -0.07 -0.51 1.26 -0.81 -0.31 0.00 0.00 175.10 174.65 1bql n PRO 187 N 0.19 1.64 -0.72 4.82 -0.04 -1.26 -0.89 135.00 138.73 1bql n PRO 187 Ca -0.13 0.60 -0.27 0.00 -0.04 0.00 0.00 63.50 63.66 1bql n PRO 187 Cb 0.58 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1bql n PRO 187 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1bql n SER 188 N -0.53 3.10 0.00 3.54 7.64 -0.27 -2.43 113.62 124.68 1bql n SER 188 Ca 0.10 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.59 1bql n SER 188 Cb 0.43 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1bql n SER 188 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bql n SER 189 N 5.69 0.00 0.00 6.43 7.64 -1.26 -4.89 113.62 127.23 1bql n SER 189 Ca 0.39 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1bql n SER 189 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1bql n SER 189 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1bql n PRO 190 N -1.11 0.00 -2.48 1.43 -0.02 -1.02 -4.41 135.00 127.40 1bql n PRO 190 Ca 0.00 0.20 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1bql n PRO 190 Cb 0.00 -1.19 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1bql n PRO 190 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1bql s ARG 191 N -1.77 4.46 0.31 -0.52 1.81 -1.26 0.14 118.95 122.12 1bql s ARG 191 Ca 0.00 1.73 0.26 0.00 -1.72 0.00 0.00 55.73 56.00 1bql s ARG 191 Cb 0.00 -2.97 0.82 0.00 -0.45 0.00 0.00 34.95 32.35 1bql s ARG 191 CO 0.00 0.07 1.75 -1.35 -0.68 0.00 0.00 175.30 175.09 1bql h PRO 192 N 3.35 0.00 -0.93 3.54 0.11 -1.94 -3.45 132.00 132.68 1bql h PRO 192 Ca -0.47 0.00 0.37 0.00 0.11 0.00 0.00 66.00 66.00 1bql h PRO 192 Cb 1.21 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 1bql h PRO 192 CO 0.65 0.00 0.42 0.43 -0.21 0.00 0.00 178.00 179.29 1bql n SER 193 N -2.54 0.25 -4.33 -2.05 7.64 0.36 -4.43 113.62 108.52 1bql n SER 193 Ca 0.04 1.55 -0.28 0.00 1.01 0.00 0.00 58.87 61.18 1bql n SER 193 Cb 0.39 -0.72 -0.14 0.00 -1.01 0.00 0.00 64.21 62.73 1bql n SER 193 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bql s GLU 194 N -5.50 1.55 -0.05 1.43 2.02 -0.80 -5.07 118.70 112.28 1bql s GLU 194 Ca -0.09 -1.14 -0.02 0.00 0.02 0.00 0.00 54.97 53.73 1bql s GLU 194 Cb 0.31 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 1bql s GLU 194 CO 0.72 0.45 0.06 0.95 0.02 0.00 0.00 175.26 177.47 1bql s THR 195 N -0.90 4.70 -0.17 3.63 -4.23 -1.26 -4.29 115.64 113.11 1bql s THR 195 Ca 0.11 -0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1bql s THR 195 Cb -0.10 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 1bql s THR 195 CO 0.03 0.49 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.89 1bql s VAL 196 N -1.05 3.87 0.04 2.29 1.01 -1.26 -5.02 120.40 120.28 1bql s VAL 196 Ca 0.18 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1bql s VAL 196 Cb -0.12 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1bql s VAL 196 CO 0.08 0.47 -0.23 -0.89 0.00 0.00 0.00 175.10 174.53 1bql s THR 197 N 0.64 2.45 -0.19 3.92 2.01 -1.26 -1.33 115.64 121.88 1bql s THR 197 Ca -0.02 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.67 1bql s THR 197 Cb -0.14 -1.99 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 1bql s THR 197 CO 0.02 0.35 -0.11 0.00 -0.69 0.00 0.00 174.62 174.19 1bql s ASN 199 N 1.14 5.77 -0.03 0.00 -0.87 0.21 -2.51 114.94 118.64 1bql s ASN 199 Ca 0.01 -1.35 -0.14 0.00 -1.57 0.00 0.00 52.86 49.81 1bql s ASN 199 Cb -0.14 -2.04 -0.05 0.00 -0.02 0.00 0.00 41.25 39.00 1bql s ASN 199 CO -0.04 -0.52 0.39 -0.69 -2.57 0.00 0.00 177.10 173.67 1bql s VAL 200 N 1.50 5.10 -0.05 1.60 1.01 0.00 -0.40 120.40 129.17 1bql s VAL 200 Ca 0.03 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1bql s VAL 200 Cb -0.22 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1bql s VAL 200 CO 0.04 0.54 -0.02 0.00 0.00 0.00 0.00 175.10 175.66 1bql s ALA 201 N -0.75 0.59 -0.54 5.51 0.00 -0.98 -1.54 121.76 124.05 1bql s ALA 201 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1bql s ALA 201 Cb -0.16 -0.48 0.14 0.00 0.00 0.00 0.00 23.12 22.62 1bql s ALA 201 CO 0.12 -0.14 0.31 -1.58 0.00 0.00 0.00 175.76 174.47 1bql s HIS 202 N 1.21 3.39 0.25 0.00 2.46 -0.98 -0.65 115.29 120.96 1bql s HIS 202 Ca -0.07 -2.87 -0.04 0.00 0.47 0.00 0.00 55.06 52.56 1bql s HIS 202 Cb -0.14 -3.05 0.47 0.00 -0.13 0.00 0.00 32.58 29.73 1bql s HIS 202 CO -0.02 -0.83 1.72 -1.00 -2.47 0.00 0.00 174.74 172.15 1bql h PRO 203 N 7.02 0.41 0.00 2.88 0.13 -1.82 -2.02 132.00 138.60 1bql h PRO 203 Ca -0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1bql h PRO 203 Cb 0.95 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1bql h PRO 203 CO 0.69 0.27 0.06 0.00 -0.23 0.00 0.00 178.00 178.79 1bql n ALA 204 N -2.52 0.92 -2.69 -0.56 0.00 -1.26 -1.01 120.51 113.38 1bql n ALA 204 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 1bql n ALA 204 Cb 0.43 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 19.07 1bql n ALA 204 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bql n SER 205 N -1.37 0.19 -1.96 0.00 3.41 -0.76 -4.99 113.62 108.13 1bql n SER 205 Ca 0.00 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1bql n SER 205 Cb 0.06 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1bql n SER 205 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bql n SER 206 N -0.23 0.00 -4.47 4.04 7.64 -0.18 -4.85 113.62 115.56 1bql n SER 206 Ca 0.05 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.60 1bql n SER 206 Cb 0.82 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.89 1bql n SER 206 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bql s THR 207 N -2.60 3.23 0.01 0.44 2.01 -1.23 -5.04 115.64 112.47 1bql s THR 207 Ca 0.00 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1bql s THR 207 Cb 0.00 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1bql s THR 207 CO 0.00 0.57 -0.25 -0.75 -0.69 0.00 0.00 174.62 173.50 1bql s LYS 208 N -0.41 1.89 -0.08 4.92 2.47 -1.26 -2.32 119.74 124.94 1bql s LYS 208 Ca 0.05 -0.97 -0.14 0.00 -1.56 0.00 0.00 55.97 53.35 1bql s LYS 208 Cb -0.12 -1.93 0.03 0.00 -1.46 0.00 0.00 37.83 34.35 1bql s LYS 208 CO 0.02 0.52 0.35 0.08 0.16 0.00 0.00 175.35 176.47 1bql s VAL 209 N -0.68 0.02 -0.29 4.02 1.01 -0.59 -5.00 120.40 118.90 1bql s VAL 209 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1bql s VAL 209 Cb -0.10 -0.56 0.09 0.00 0.00 0.00 0.00 36.38 35.81 1bql s VAL 209 CO 0.00 -0.11 0.08 -1.81 0.00 0.00 0.00 175.10 173.26 1bql s ASP 210 N -0.47 3.84 0.12 3.32 1.01 -1.26 -0.82 116.67 122.41 1bql s ASP 210 Ca -0.06 -1.48 -0.13 0.00 0.71 0.00 0.00 52.55 51.60 1bql s ASP 210 Cb -0.04 -0.84 -0.06 0.00 1.01 0.00 0.00 42.92 42.99 1bql s ASP 210 CO 0.02 -0.39 0.49 -0.54 0.21 0.00 0.00 175.17 174.97 1bql s LYS 211 N 1.65 3.90 -0.05 8.23 -0.14 -1.04 -4.88 119.74 127.40 1bql s LYS 211 Ca 0.07 0.37 -0.06 0.00 -1.36 0.00 0.00 55.97 54.99 1bql s LYS 211 Cb -0.17 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1bql s LYS 211 CO -0.21 0.51 0.21 0.21 -0.76 0.00 0.00 175.35 175.30 1bql s LYS 212 N -1.96 3.52 -0.53 1.68 2.20 -1.26 -1.06 119.74 122.33 1bql s LYS 212 Ca 0.36 -0.12 -0.18 0.00 -0.36 0.00 0.00 55.97 55.67 1bql s LYS 212 Cb -0.15 -3.14 0.08 0.00 -1.51 0.00 0.00 37.83 33.11 1bql s LYS 212 CO 0.19 0.71 0.61 0.42 -0.36 0.00 0.00 175.35 176.92 1bql s ILE 213 N -1.18 4.93 0.21 5.43 -1.09 -0.44 -4.95 121.20 124.12 1bql s ILE 213 Ca 0.22 -0.80 -0.20 0.00 -2.23 0.00 0.00 60.65 57.64 1bql s ILE 213 Cb -0.13 -4.33 -0.08 0.00 -1.58 0.00 0.00 42.46 36.34 1bql s ILE 213 CO 0.12 -0.87 0.72 0.54 -1.23 0.00 0.00 174.94 174.22 1bql s VAL 214 N 2.43 4.56 -2.00 2.92 0.11 -1.26 -4.64 120.40 122.52 1bql s VAL 214 Ca 0.11 1.32 0.11 0.00 -2.93 0.00 0.00 61.98 60.59 1bql s VAL 214 Cb -0.22 -3.89 0.31 0.00 -1.53 0.00 0.00 36.38 31.05 1bql s VAL 214 CO 0.09 0.25 1.08 -0.81 -3.33 0.00 0.00 175.10 172.38