#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rql s ILE 6 N 0.00 3.78 0.00 -0.18 -1.09 -1.26 -4.79 121.20 117.66 1rql s ILE 6 Ca 0.00 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 1rql s ILE 6 Cb 0.00 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1rql s ILE 6 CO 0.00 -0.15 0.00 -0.62 -1.23 0.00 0.00 174.94 172.94 1rql n GLU 7 N -0.63 3.50 -3.60 2.79 1.02 0.10 -5.01 120.64 118.80 1rql n GLU 7 Ca 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.05 1rql n GLU 7 Cb 0.51 -0.47 -0.07 0.00 -0.02 0.00 0.00 31.44 31.40 1rql n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rql s ALA 8 N -0.79 -1.43 -0.10 0.62 0.00 -1.17 -1.59 121.76 117.30 1rql s ALA 8 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.97 1rql s ALA 8 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1rql s ALA 8 CO 0.00 -0.33 -0.19 0.08 0.00 0.00 0.00 175.76 175.32 1rql s VAL 9 N -1.23 1.73 -0.37 0.00 1.01 -0.80 -0.87 120.40 119.86 1rql s VAL 9 Ca -0.12 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1rql s VAL 9 Cb -0.02 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.87 1rql s VAL 9 CO 0.08 0.49 0.19 -0.63 0.00 0.00 0.00 175.10 175.22 1rql s ILE 10 N 0.66 4.27 -0.04 2.22 -1.09 0.50 -1.37 121.20 126.35 1rql s ILE 10 Ca -0.13 -1.05 -0.12 0.00 -2.23 0.00 0.00 60.65 57.12 1rql s ILE 10 Cb -0.16 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1rql s ILE 10 CO 0.03 -0.28 0.33 -0.36 -1.23 0.00 0.00 174.94 173.43 1rql s PHE 11 N 1.48 3.69 0.81 3.97 0.40 0.76 -2.16 117.98 126.93 1rql s PHE 11 Ca 0.01 0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 57.07 1rql s PHE 11 Cb -0.20 -2.19 0.08 0.00 0.51 0.00 0.00 43.02 41.22 1rql s PHE 11 CO 0.05 0.67 1.14 0.34 0.70 0.00 0.00 175.22 178.12 1rql s ASP 12 N -1.04 4.43 0.00 1.36 2.15 -0.91 -2.23 116.67 120.42 1rql s ASP 12 Ca 0.21 0.96 0.00 0.00 0.43 0.00 0.00 52.55 54.15 1rql s ASP 12 Cb -0.15 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 1rql s ASP 12 CO 0.10 -1.97 0.00 0.79 -0.17 0.00 0.00 175.17 173.92 1rql n TRP 13 N -3.39 0.00 -1.57 -5.34 7.02 -1.23 -3.71 117.44 109.23 1rql n TRP 13 Ca 0.07 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 1rql n TRP 13 Cb 0.59 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.49 1rql n TRP 13 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rql n ALA 14 N -3.00 -0.22 -0.14 6.99 0.00 -1.26 -0.26 120.51 122.62 1rql n ALA 14 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1rql n ALA 14 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1rql n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rql n GLY 15 N 1.32 1.11 0.93 0.00 0.00 0.48 -4.62 105.19 104.41 1rql n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1rql n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rql n THR 16 N -2.00 0.00 -0.00 2.61 -1.04 -0.32 -3.69 114.28 109.84 1rql n THR 16 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1rql n THR 16 Cb 0.00 -1.29 -0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1rql n THR 16 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1rql n THR 17 N -2.89 0.00 -4.09 12.58 -2.24 0.64 -4.89 114.28 113.40 1rql n THR 17 Ca 0.00 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1rql n THR 17 Cb 0.46 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1rql n THR 17 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1rql s VAL 18 N -2.04 0.01 -0.47 2.28 -7.23 -1.03 -1.52 120.40 110.40 1rql s VAL 18 Ca -0.00 -1.67 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1rql s VAL 18 Cb 0.00 -2.29 0.03 0.00 0.56 0.00 0.00 36.38 34.68 1rql s VAL 18 CO 0.02 -0.05 0.62 -0.67 -0.31 0.00 0.00 175.10 174.72 1rql n ASP 19 N -0.31 -7.42 -4.65 4.85 -0.08 -0.81 -0.39 116.55 107.74 1rql n ASP 19 Ca -0.01 0.32 -0.47 0.00 -1.51 0.00 0.00 54.79 53.13 1rql n ASP 19 Cb 0.64 -4.61 -0.04 0.00 2.34 0.00 0.00 41.12 39.44 1rql n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rql n TYR 20 N -0.46 2.26 -0.69 -0.67 4.19 -1.26 -0.30 117.16 120.23 1rql n TYR 20 Ca 0.06 -0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1rql n TYR 20 Cb 0.51 -2.69 0.00 0.00 0.49 0.00 0.00 39.34 37.65 1rql n TYR 20 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1rql n GLY 21 N 4.78 0.80 3.71 2.98 0.00 0.24 -4.42 105.19 113.26 1rql n GLY 21 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1rql n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rql n PHE 23 N -2.65 0.36 -0.34 0.00 3.01 -1.26 -4.61 117.46 111.97 1rql n PHE 23 Ca -0.27 0.12 -0.05 0.00 1.01 0.00 0.00 57.45 58.26 1rql n PHE 23 Cb 0.66 -0.82 -0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1rql n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rql h ALA 24 N 1.62 -0.08 -0.21 4.37 0.00 -1.94 -2.67 119.26 120.35 1rql h ALA 24 Ca -0.17 0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1rql h ALA 24 Cb 1.44 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.28 1rql h ALA 24 CO 0.02 -0.73 -0.45 -1.35 0.00 0.00 0.00 179.25 176.74 1rql h PRO 25 N -0.06 0.54 -0.27 0.00 0.11 -2.00 -3.41 132.00 126.92 1rql h PRO 25 Ca 0.27 -0.29 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1rql h PRO 25 Cb 0.55 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 1rql h PRO 25 CO -0.90 0.88 -0.16 -0.11 -0.21 0.00 0.00 178.00 177.50 1rql n LEU 26 N -4.00 -0.28 0.24 2.35 7.94 -1.00 -1.29 117.00 120.95 1rql n LEU 26 Ca -0.02 0.89 0.13 0.00 -1.11 0.00 0.00 56.01 55.90 1rql n LEU 26 Cb 0.54 -0.27 0.51 0.00 0.53 0.00 0.00 43.42 44.73 1rql n LEU 26 CO 0.45 -0.60 0.87 -0.33 -1.11 0.00 0.00 177.39 176.68 1rql h GLU 27 N 0.00 0.00 -0.28 1.96 5.08 -1.79 -2.76 114.58 116.80 1rql h GLU 27 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1rql h GLU 27 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1rql h GLU 27 CO -0.25 0.12 -0.21 0.28 -1.00 0.00 0.00 179.01 177.95 1rql h VAL 28 N 0.00 1.30 -0.58 3.13 2.07 -1.42 0.15 116.25 120.90 1rql h VAL 28 Ca -0.00 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1rql h VAL 28 Cb 0.69 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1rql h VAL 28 CO 0.02 0.43 0.22 -0.26 0.02 0.00 0.00 177.57 178.00 1rql h PHE 29 N 0.37 0.89 -0.28 1.57 0.04 -1.24 -1.24 116.94 117.05 1rql h PHE 29 Ca 0.05 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.63 1rql h PHE 29 Cb 0.76 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1rql h PHE 29 CO 0.07 0.72 -0.34 0.52 -0.60 0.00 0.00 178.31 178.68 1rql h MET 30 N 0.80 0.61 -0.10 1.51 2.86 -1.43 -3.05 114.93 116.13 1rql h MET 30 Ca 0.19 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1rql h MET 30 Cb 0.22 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1rql h MET 30 CO -0.01 0.87 0.03 1.49 1.06 0.00 0.00 176.91 180.34 1rql h GLU 31 N 0.51 0.16 -0.77 1.72 4.57 -0.38 0.12 114.58 120.50 1rql h GLU 31 Ca 0.06 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1rql h GLU 31 Cb 0.84 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.36 1rql h GLU 31 CO 0.07 0.33 0.51 -0.84 -1.18 0.00 0.00 179.01 177.89 1rql h ILE 32 N -0.04 0.98 0.03 2.32 3.07 -1.23 -1.14 117.51 121.50 1rql h ILE 32 Ca 0.03 -0.26 -0.24 0.00 1.55 0.00 0.00 64.86 65.94 1rql h ILE 32 Cb 0.24 0.16 -0.02 0.00 -0.27 0.00 0.00 36.82 36.92 1rql h ILE 32 CO -0.00 0.14 -1.20 -0.26 -1.05 0.00 0.00 178.15 175.78 1rql h PHE 33 N 0.75 0.13 0.00 0.16 -1.00 -1.42 -3.30 116.94 112.27 1rql h PHE 33 Ca 0.35 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 1rql h PHE 33 Cb 0.36 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1rql h PHE 33 CO -0.00 1.09 -0.26 1.25 -1.61 0.00 0.00 178.31 178.78 1rql h HIS 34 N 0.02 0.00 0.00 -0.55 2.76 0.40 -1.64 115.15 116.14 1rql h HIS 34 Ca -0.10 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.03 1rql h HIS 34 Cb 1.87 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.82 1rql h HIS 34 CO 0.02 0.26 -0.21 0.87 -1.30 0.00 0.00 177.93 177.57 1rql h LYS 35 N 0.00 0.00 -0.36 5.26 1.57 -1.37 -2.19 116.57 119.47 1rql h LYS 35 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rql h LYS 35 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1rql h LYS 35 CO 0.03 0.21 0.00 0.54 -0.57 0.00 0.00 179.45 179.66 1rql n ARG 36 N -3.61 1.93 -1.09 3.15 5.12 -0.67 -4.89 116.66 116.60 1rql n ARG 36 Ca -0.01 -1.43 -0.03 0.00 -1.93 0.00 0.00 57.85 54.45 1rql n ARG 36 Cb 0.35 -1.34 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 1rql n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rql n GLY 37 N 1.16 0.63 2.97 -0.13 0.00 -0.82 -5.00 105.19 104.00 1rql n GLY 37 Ca 0.14 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1rql n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rql s VAL 38 N -2.10 2.05 0.31 1.61 1.01 -0.91 -5.03 120.40 117.33 1rql s VAL 38 Ca 0.00 -2.22 -0.27 0.00 0.00 0.00 0.00 61.98 59.49 1rql s VAL 38 Cb 0.00 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 1rql s VAL 38 CO 0.00 -0.62 0.97 0.00 0.00 0.00 0.00 175.10 175.45 1rql s ALA 39 N 0.98 3.25 0.26 5.51 0.00 -1.26 -3.46 121.76 127.05 1rql s ALA 39 Ca 0.11 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1rql s ALA 39 Cb -0.19 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1rql s ALA 39 CO -0.11 0.10 -0.01 0.96 0.00 0.00 0.00 175.76 176.70 1rql s ILE 40 N -1.46 1.28 0.23 0.00 -4.36 -1.26 -5.03 121.20 110.61 1rql s ILE 40 Ca 0.48 -2.06 0.06 0.00 -0.26 0.00 0.00 60.65 58.87 1rql s ILE 40 Cb -0.22 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 1rql s ILE 40 CO 0.28 -0.26 0.28 0.42 0.24 0.00 0.00 174.94 175.91 1rql s THR 41 N -3.25 4.91 0.24 8.37 -4.23 -1.26 -4.98 115.64 115.43 1rql s THR 41 Ca 0.30 -1.14 -0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1rql s THR 41 Cb 0.06 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.45 1rql s THR 41 CO 0.11 -0.31 1.82 0.00 -0.54 0.00 0.00 174.62 175.70 1rql h ALA 42 N 1.42 1.11 -0.29 3.99 0.00 -1.98 0.54 119.26 124.04 1rql h ALA 42 Ca -0.50 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1rql h ALA 42 Cb 1.23 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1rql h ALA 42 CO 0.61 0.15 -0.14 0.93 0.00 0.00 0.00 179.25 180.80 1rql h GLU 43 N 0.83 -0.09 0.30 0.00 3.07 -1.98 0.56 114.58 117.26 1rql h GLU 43 Ca 0.37 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1rql h GLU 43 Cb 0.26 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1rql h GLU 43 CO -0.21 -0.06 -0.14 0.93 -1.40 0.00 0.00 179.01 178.13 1rql h GLU 44 N -0.09 -0.39 -0.89 2.33 5.08 -1.72 -0.79 114.58 118.11 1rql h GLU 44 Ca 0.15 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.72 1rql h GLU 44 Cb 0.32 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1rql h GLU 44 CO -0.35 -0.26 0.46 0.00 -1.00 0.00 0.00 179.01 177.86 1rql h ALA 45 N 0.30 1.40 0.00 3.43 0.00 -0.17 -1.44 119.26 122.78 1rql h ALA 45 Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rql h ALA 45 Cb 0.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rql h ALA 45 CO 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.05 1rql h ARG 46 N 0.58 0.00 -0.50 0.00 3.08 0.46 -3.39 114.38 114.62 1rql h ARG 46 Ca 0.52 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.66 1rql h ARG 46 Cb 0.83 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.77 1rql h ARG 46 CO -0.42 0.11 -0.29 -0.22 -1.07 0.00 0.00 179.97 178.08 1rql h LYS 47 N 0.00 -0.17 -0.24 0.04 3.64 -0.01 0.01 116.57 119.84 1rql h LYS 47 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1rql h LYS 47 Cb 1.02 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1rql h LYS 47 CO 0.01 -0.11 0.00 -0.35 -2.27 0.00 0.00 179.45 176.73 1rql n PRO 48 N -5.42 1.64 -1.48 1.90 -0.04 -1.26 -4.84 135.00 125.50 1rql n PRO 48 Ca 0.03 -0.99 -0.45 0.00 -0.04 0.00 0.00 63.50 62.06 1rql n PRO 48 Cb 0.34 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1rql n PRO 48 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1rql n MET 49 N 0.27 0.67 0.00 0.54 1.56 -0.01 -2.33 117.12 117.81 1rql n MET 49 Ca 0.11 0.24 0.00 0.00 -0.27 0.00 0.00 57.70 57.78 1rql n MET 49 Cb 0.25 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.16 1rql n MET 49 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1rql n GLY 50 N 1.66 2.74 3.82 -5.12 0.00 -1.26 -4.46 105.19 102.56 1rql n GLY 50 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1rql n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rql s LEU 51 N 0.00 2.91 0.25 0.99 1.43 -0.98 -3.62 118.68 119.65 1rql s LEU 51 Ca 0.00 1.47 -0.31 0.00 -1.03 0.00 0.00 54.13 54.26 1rql s LEU 51 Cb 0.00 -4.24 -0.12 0.00 0.03 0.00 0.00 46.19 41.86 1rql s LEU 51 CO 0.00 -1.64 1.57 -0.11 0.23 0.00 0.00 176.35 176.39 1rql n LEU 52 N -3.24 3.84 -0.34 1.79 7.94 -1.26 -4.57 117.00 121.17 1rql n LEU 52 Ca 0.07 1.12 0.14 0.00 -1.11 0.00 0.00 56.01 56.23 1rql n LEU 52 Cb 0.55 -1.53 0.28 0.00 0.53 0.00 0.00 43.42 43.24 1rql n LEU 52 CO 0.56 -0.05 0.80 0.11 -1.11 0.00 0.00 177.39 177.70 1rql h LYS 53 N 5.11 0.02 -0.68 1.96 6.56 -1.87 0.13 116.57 127.80 1rql h LYS 53 Ca -0.46 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.09 1rql h LYS 53 Cb 1.24 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.86 1rql h LYS 53 CO 0.82 0.01 0.24 0.97 -2.06 0.00 0.00 179.45 179.44 1rql h ILE 54 N 0.02 1.25 -0.75 1.86 6.09 -1.91 -2.40 117.51 121.67 1rql h ILE 54 Ca 0.58 -0.81 -0.01 0.00 -1.37 0.00 0.00 64.86 63.24 1rql h ILE 54 Cb 1.17 0.51 -0.04 0.00 0.47 0.00 0.00 36.82 38.94 1rql h ILE 54 CO -0.90 0.32 0.41 0.44 -3.07 0.00 0.00 178.15 175.35 1rql h ASP 55 N 0.97 0.92 -0.82 2.19 3.32 -1.15 -1.60 116.42 120.26 1rql h ASP 55 Ca 0.22 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1rql h ASP 55 Cb 0.25 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1rql h ASP 55 CO -0.01 0.74 0.49 -0.74 -1.72 0.00 0.00 179.24 178.00 1rql h HIS 56 N 1.04 1.08 0.09 4.55 2.76 -0.80 0.40 115.15 124.28 1rql h HIS 56 Ca 0.26 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1rql h HIS 56 Cb 0.02 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.63 1rql h HIS 56 CO 0.01 0.72 -0.05 0.28 -1.30 0.00 0.00 177.93 177.60 1rql h VAL 57 N 1.13 1.10 -0.82 5.26 2.07 -0.95 -0.92 116.25 123.12 1rql h VAL 57 Ca 0.29 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 67.13 1rql h VAL 57 Cb -0.04 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 1rql h VAL 57 CO -0.06 0.19 0.47 -0.09 0.02 0.00 0.00 177.57 178.11 1rql h ARG 58 N -0.48 0.79 -0.60 1.57 2.43 -1.09 -1.01 114.38 115.98 1rql h ARG 58 Ca -0.01 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1rql h ARG 58 Cb 0.40 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1rql h ARG 58 CO 0.02 0.52 0.39 0.00 -1.51 0.00 0.00 179.97 179.39 1rql h ALA 59 N 1.44 0.77 -0.42 2.80 0.00 -0.02 -1.14 119.26 122.68 1rql h ALA 59 Ca 0.39 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1rql h ALA 59 Cb 0.31 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1rql h ALA 59 CO -0.23 0.16 0.13 -0.07 0.00 0.00 0.00 179.25 179.24 1rql h LEU 60 N 0.78 0.12 -1.70 0.00 3.38 0.13 -1.66 115.31 116.36 1rql h LEU 60 Ca 0.23 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1rql h LEU 60 Cb -0.05 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1rql h LEU 60 CO -0.07 0.10 -0.18 0.71 0.09 0.00 0.00 178.44 179.09 1rql h THR 61 N 0.28 0.77 -0.08 0.22 1.35 -0.76 -2.11 112.91 112.59 1rql h THR 61 Ca 0.20 -0.71 -0.09 0.00 -0.55 0.00 0.00 66.41 65.25 1rql h THR 61 Cb 0.20 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1rql h THR 61 CO -0.21 0.17 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.55 1rql h GLU 62 N 0.00 0.15 -6.25 4.72 3.07 -0.28 -3.34 114.58 112.64 1rql h GLU 62 Ca -0.00 -0.06 -0.61 0.00 -0.50 0.00 0.00 59.36 58.19 1rql h GLU 62 Cb 0.42 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1rql h GLU 62 CO 0.02 0.49 1.16 -1.33 -1.40 0.00 0.00 179.01 177.95 1rql n MET 63 N -4.09 2.21 -0.27 2.33 2.81 -0.79 -4.80 117.12 114.51 1rql n MET 63 Ca -0.01 0.79 -0.12 0.00 -1.81 0.00 0.00 57.70 56.55 1rql n MET 63 Cb 0.42 -2.72 -0.09 0.00 -0.71 0.00 0.00 33.22 30.12 1rql n MET 63 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1rql h PRO 64 N 9.93 -0.19 -0.69 0.03 0.11 -1.88 0.57 132.00 139.88 1rql h PRO 64 Ca -0.47 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1rql h PRO 64 Cb 1.27 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.30 1rql h PRO 64 CO 0.95 -0.13 -0.11 -0.09 -0.21 0.00 0.00 178.00 178.41 1rql h ARG 65 N -0.20 0.03 -0.06 1.05 1.12 -1.96 0.59 114.38 114.95 1rql h ARG 65 Ca 0.13 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.94 1rql h ARG 65 Cb 0.51 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 1rql h ARG 65 CO -0.76 0.02 -0.18 0.82 -3.11 0.00 0.00 179.97 176.76 1rql h ILE 66 N 0.03 1.44 -0.34 1.20 2.04 -1.56 -2.40 117.51 117.92 1rql h ILE 66 Ca 0.34 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.69 1rql h ILE 66 Cb 0.55 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 1rql h ILE 66 CO -0.67 0.44 0.10 0.00 0.00 0.00 0.00 178.15 178.01 1rql h ALA 67 N 0.44 0.38 -0.45 1.87 0.00 0.85 0.19 119.26 122.54 1rql h ALA 67 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rql h ALA 67 Cb 0.80 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1rql h ALA 67 CO 0.04 -0.30 0.29 0.77 0.00 0.00 0.00 179.25 180.05 1rql h SER 68 N 0.23 0.53 -0.81 0.00 0.02 0.10 0.23 113.55 113.86 1rql h SER 68 Ca 0.16 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1rql h SER 68 Cb 0.15 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1rql h SER 68 CO -0.18 0.40 0.35 -0.08 -1.14 0.00 0.00 176.83 176.18 1rql h GLU 69 N 0.61 1.19 -0.24 3.45 4.57 -0.91 0.26 114.58 123.52 1rql h GLU 69 Ca 0.17 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1rql h GLU 69 Cb -0.05 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 1rql h GLU 69 CO -0.03 0.95 -0.03 2.35 -1.18 0.00 0.00 179.01 181.07 1rql h TRP 70 N 1.17 0.49 -0.59 0.92 2.91 -0.19 -1.04 115.95 119.61 1rql h TRP 70 Ca 0.27 -0.10 0.04 0.00 1.13 0.00 0.00 58.89 60.24 1rql h TRP 70 Cb 0.18 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 28.66 1rql h TRP 70 CO 0.02 0.64 0.33 -0.97 -1.03 0.00 0.00 178.44 177.44 1rql h ASN 71 N 0.20 0.51 -0.80 2.65 -1.24 -0.20 0.27 115.58 116.98 1rql h ASN 71 Ca 0.07 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1rql h ASN 71 Cb 0.47 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 1rql h ASN 71 CO 0.02 0.35 0.36 -0.09 -1.29 0.00 0.00 177.43 176.77 1rql h ARG 72 N 0.64 1.17 -0.05 6.67 2.43 -0.78 1.56 114.38 126.02 1rql h ARG 72 Ca 0.26 -0.19 -0.24 0.00 -0.81 0.00 0.00 59.98 59.00 1rql h ARG 72 Cb 0.11 -0.20 0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1rql h ARG 72 CO -0.15 0.92 -0.91 0.28 -1.51 0.00 0.00 179.97 178.61 1rql h VAL 73 N 1.15 1.29 0.00 0.20 2.07 -0.47 -3.35 116.25 117.14 1rql h VAL 73 Ca 0.27 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1rql h VAL 73 Cb 0.16 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1rql h VAL 73 CO -0.03 0.66 -1.02 0.49 0.02 0.00 0.00 177.57 177.69 1rql n PHE 74 N -3.93 0.00 -2.71 1.57 3.72 0.89 -4.99 117.46 112.02 1rql n PHE 74 Ca -0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 1rql n PHE 74 Cb 0.81 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 39.31 1rql n PHE 74 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rql n ARG 75 N -1.55 -2.65 0.00 -1.08 5.12 0.53 -4.99 116.66 112.04 1rql n ARG 75 Ca 0.02 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 1rql n ARG 75 Cb 0.32 -4.25 0.00 0.00 -1.16 0.00 0.00 32.46 27.37 1rql n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rql n GLN 76 N -2.37 0.00 -0.99 5.56 10.64 -1.02 -5.03 117.38 124.18 1rql n GLN 76 Ca -0.04 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.82 1rql n GLN 76 Cb 0.55 0.00 0.14 0.00 -0.86 0.00 0.00 30.24 30.07 1rql n GLN 76 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1rql s LEU 77 N 0.00 2.74 0.40 2.61 1.43 -1.26 -3.74 118.68 120.85 1rql s LEU 77 Ca 0.00 1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 1rql s LEU 77 Cb 0.00 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 1rql s LEU 77 CO 0.00 -2.66 1.20 -2.65 0.23 0.00 0.00 176.35 172.47 1rql n PRO 78 N -3.93 1.78 -3.68 1.29 -0.02 -1.26 -4.95 135.00 124.23 1rql n PRO 78 Ca 0.10 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 62.00 1rql n PRO 78 Cb 0.53 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1rql n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rql s THR 79 N -1.20 3.54 0.36 3.45 2.01 -1.26 -5.00 115.64 117.55 1rql s THR 79 Ca 0.61 -1.27 0.13 0.00 0.31 0.00 0.00 61.69 61.47 1rql s THR 79 Cb -0.54 -3.21 0.10 0.00 0.01 0.00 0.00 72.50 68.86 1rql s THR 79 CO 0.58 -0.14 1.82 -0.33 -0.69 0.00 0.00 174.62 175.86 1rql h GLU 80 N 1.12 0.00 -0.06 4.92 4.39 -1.99 -0.91 114.58 122.05 1rql h GLU 80 Ca -0.44 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1rql h GLU 80 Cb 1.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1rql h GLU 80 CO 0.56 0.37 -0.00 0.00 -1.16 0.00 0.00 179.01 178.78 1rql h ALA 81 N 1.63 0.08 -0.08 3.43 0.00 -1.98 0.00 119.26 122.35 1rql h ALA 81 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1rql h ALA 81 Cb 0.68 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1rql h ALA 81 CO 0.05 -0.23 -0.33 -0.44 0.00 0.00 0.00 179.25 178.30 1rql h ASP 82 N -0.20 -1.01 -0.22 0.00 3.32 -1.83 0.10 116.42 116.59 1rql h ASP 82 Ca 0.02 0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1rql h ASP 82 Cb 0.36 0.42 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1rql h ASP 82 CO 0.00 -0.38 -0.19 0.40 -1.72 0.00 0.00 179.24 177.36 1rql h ILE 83 N -0.44 0.48 -0.31 0.35 2.04 -1.16 0.27 117.51 118.75 1rql h ILE 83 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1rql h ILE 83 Cb 0.56 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1rql h ILE 83 CO -0.32 0.00 0.16 -0.61 0.00 0.00 0.00 178.15 177.38 1rql h GLN 84 N -0.20 0.42 -0.01 2.37 5.75 -0.26 -0.63 115.11 122.56 1rql h GLN 84 Ca 0.13 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1rql h GLN 84 Cb 0.40 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.86 1rql h GLN 84 CO -0.34 0.32 -0.32 1.49 -2.65 0.00 0.00 178.83 177.32 1rql h GLU 85 N 0.43 0.23 -0.49 1.69 4.81 -0.13 -2.63 114.58 118.48 1rql h GLU 85 Ca 0.11 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1rql h GLU 85 Cb 0.02 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1rql h GLU 85 CO -0.02 0.95 0.31 0.52 -0.73 0.00 0.00 179.01 180.05 1rql h MET 86 N -0.40 0.66 -0.48 1.92 2.86 -0.67 -1.46 114.93 117.36 1rql h MET 86 Ca -0.04 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1rql h MET 86 Cb 1.06 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1rql h MET 86 CO 0.06 0.45 0.04 -0.92 1.06 0.00 0.00 176.91 177.60 1rql h TYR 87 N 0.67 0.88 -0.77 -0.22 3.20 -1.13 0.33 116.97 119.94 1rql h TYR 87 Ca 0.18 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1rql h TYR 87 Cb -0.05 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 37.94 1rql h TYR 87 CO 0.00 0.82 0.51 1.49 -1.64 0.00 0.00 178.16 179.34 1rql h GLU 88 N 0.68 0.86 -0.06 1.82 4.81 -0.91 -0.91 114.58 120.86 1rql h GLU 88 Ca 0.14 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1rql h GLU 88 Cb 0.45 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1rql h GLU 88 CO 0.02 0.57 -0.23 0.93 -0.73 0.00 0.00 179.01 179.56 1rql h GLU 89 N 0.89 0.27 -0.71 1.92 5.08 -0.82 -2.92 114.58 118.29 1rql h GLU 89 Ca 0.32 -0.20 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 1rql h GLU 89 Cb 0.14 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.33 1rql h GLU 89 CO -0.10 0.84 0.19 0.35 -1.00 0.00 0.00 179.01 179.28 1rql h PHE 90 N -0.24 0.30 -0.57 4.33 3.57 0.48 -1.42 116.94 123.39 1rql h PHE 90 Ca -0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1rql h PHE 90 Cb 0.86 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1rql h PHE 90 CO 0.13 -0.04 0.22 0.93 -2.23 0.00 0.00 178.31 177.31 1rql h GLU 91 N 0.30 0.86 0.01 1.11 5.08 -1.22 -0.48 114.58 120.24 1rql h GLU 91 Ca 0.39 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1rql h GLU 91 Cb 0.64 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1rql h GLU 91 CO -0.46 0.74 -0.07 0.93 -1.00 0.00 0.00 179.01 179.15 1rql h GLU 92 N 0.78 -0.12 -0.35 2.33 5.08 -1.08 -1.34 114.58 119.88 1rql h GLU 92 Ca 0.19 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1rql h GLU 92 Cb 0.21 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1rql h GLU 92 CO -0.01 -0.08 0.09 0.82 -1.00 0.00 0.00 179.01 178.83 1rql h ILE 93 N -0.12 1.22 0.63 3.13 2.04 -1.33 -3.25 117.51 119.83 1rql h ILE 93 Ca 0.02 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1rql h ILE 93 Cb 0.15 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1rql h ILE 93 CO -0.06 0.25 -0.32 0.25 0.00 0.00 0.00 178.15 178.27 1rql h LEU 94 N 0.42 -0.75 -0.99 1.44 6.46 -0.92 -3.18 115.31 117.78 1rql h LEU 94 Ca 0.11 0.03 0.26 0.00 -0.12 0.00 0.00 57.88 58.16 1rql h LEU 94 Cb 0.29 0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 40.28 1rql h LEU 94 CO -0.00 -0.53 0.57 -0.26 -0.62 0.00 0.00 178.44 177.60 1rql h PHE 95 N -0.87 0.95 0.00 1.25 0.04 -1.32 0.34 116.94 117.34 1rql h PHE 95 Ca -0.09 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1rql h PHE 95 Cb 0.67 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1rql h PHE 95 CO -0.04 -0.01 0.00 0.00 -0.60 0.00 0.00 178.31 177.66 1rql n ALA 96 N -2.33 2.28 0.00 2.45 0.00 -1.20 -3.57 120.51 118.14 1rql n ALA 96 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1rql n ALA 96 Cb 0.80 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1rql n ALA 96 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rql n ILE 97 N -1.09 0.00 -0.32 0.00 -5.35 0.01 -4.84 119.36 107.77 1rql n ILE 97 Ca 0.15 -0.19 0.18 0.00 -0.27 0.00 0.00 62.75 62.62 1rql n ILE 97 Cb 0.11 0.79 0.43 0.00 -1.74 0.00 0.00 39.64 39.23 1rql n ILE 97 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1rql h LEU 98 N 0.00 0.58 -1.99 7.28 5.85 -1.35 -0.81 115.31 124.87 1rql h LEU 98 Ca 0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1rql h LEU 98 Cb 0.00 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1rql h LEU 98 CO 0.00 0.16 0.07 -0.65 -0.34 0.00 0.00 178.44 177.69 1rql h PRO 99 N 0.54 0.01 0.00 5.25 0.11 -1.88 -0.57 132.00 135.46 1rql h PRO 99 Ca 0.57 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1rql h PRO 99 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rql h PRO 99 CO -0.33 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 178.01 1rql n ARG 100 N -4.51 0.88 -2.10 1.05 1.74 -0.31 -3.80 116.66 109.61 1rql n ARG 100 Ca -0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.96 1rql n ARG 100 Cb 0.18 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.17 1rql n ARG 100 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rql n TYR 101 N -1.02 1.79 -0.79 -1.55 4.01 -0.22 -4.74 117.16 114.64 1rql n TYR 101 Ca 0.21 -2.00 0.07 0.00 -0.16 0.00 0.00 57.90 56.03 1rql n TYR 101 Cb 0.11 -0.28 0.11 0.00 -0.31 0.00 0.00 39.34 38.97 1rql n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rql n ALA 102 N -0.64 2.21 -2.47 -0.72 0.00 -1.25 -4.09 120.51 113.55 1rql n ALA 102 Ca 0.27 -2.20 -0.42 0.00 0.00 0.00 0.00 53.44 51.09 1rql n ALA 102 Cb 0.90 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1rql n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rql s SER 103 N -2.37 7.22 0.34 0.00 0.01 -1.26 -3.96 113.70 113.67 1rql s SER 103 Ca 0.24 1.89 -0.29 0.00 1.31 0.00 0.00 55.95 59.11 1rql s SER 103 Cb 0.21 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.76 1rql s SER 103 CO 0.02 -0.35 1.40 -2.84 0.41 0.00 0.00 173.24 171.88 1rql s PRO 104 N 0.83 4.25 0.02 12.44 0.02 -1.26 -1.93 135.00 149.37 1rql s PRO 104 Ca 0.55 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.63 1rql s PRO 104 Cb -0.26 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.15 1rql s PRO 104 CO 0.29 -0.35 1.57 0.42 -0.33 0.00 0.00 177.00 178.61 1rql s ILE 105 N -0.98 3.38 0.00 2.83 1.01 -0.58 -4.89 121.20 121.98 1rql s ILE 105 Ca 0.52 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1rql s ILE 105 Cb -0.43 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1rql s ILE 105 CO 0.56 -0.02 0.00 0.59 0.00 0.00 0.00 174.94 176.07 1rql n ASN 106 N 5.90 0.00 -0.55 3.58 3.02 -1.26 -1.08 115.26 124.87 1rql n ASN 106 Ca 0.15 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 1rql n ASN 106 Cb 0.42 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.79 1rql n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rql n ALA 107 N -0.10 2.47 -0.12 5.41 0.00 -1.26 -4.36 120.51 122.55 1rql n ALA 107 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 1rql n ALA 107 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1rql n ALA 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1rql h VAL 108 N 1.84 1.16 -0.94 0.00 2.07 -1.48 -3.07 116.25 115.83 1rql h VAL 108 Ca 0.00 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1rql h VAL 108 Cb 0.42 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1rql h VAL 108 CO 0.00 0.17 0.60 0.11 0.02 0.00 0.00 177.57 178.46 1rql h LYS 109 N 0.45 0.83 -0.60 1.57 1.57 -1.77 -0.27 116.57 118.35 1rql h LYS 109 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1rql h LYS 109 Cb 0.10 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1rql h LYS 109 CO -0.02 0.55 0.28 0.93 -0.57 0.00 0.00 179.45 180.62 1rql h GLU 110 N 0.85 0.86 0.44 3.15 4.39 -1.85 -1.60 114.58 120.83 1rql h GLU 110 Ca 0.46 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 1rql h GLU 110 Cb 0.57 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1rql h GLU 110 CO -0.23 0.70 -0.42 0.28 -1.16 0.00 0.00 179.01 178.19 1rql h VAL 111 N 0.81 0.16 -0.38 3.13 2.07 -1.06 -1.00 116.25 119.99 1rql h VAL 111 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 1rql h VAL 111 Cb 0.12 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 29.97 1rql h VAL 111 CO -0.03 0.00 -0.37 0.40 0.02 0.00 0.00 177.57 177.60 1rql h ILE 112 N -0.87 0.18 -0.94 4.57 1.08 -1.09 0.25 117.51 120.68 1rql h ILE 112 Ca -0.04 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.58 1rql h ILE 112 Cb 0.76 0.18 -0.10 0.00 -3.07 0.00 0.00 36.82 34.60 1rql h ILE 112 CO -0.05 0.00 0.55 0.00 -0.69 0.00 0.00 178.15 177.96 1rql h ALA 113 N 0.59 1.48 -0.33 1.87 0.00 -1.11 0.18 119.26 121.93 1rql h ALA 113 Ca 0.15 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1rql h ALA 113 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1rql h ALA 113 CO -0.54 0.00 -0.21 1.03 0.00 0.00 0.00 179.25 179.54 1rql h SER 114 N 0.77 0.64 -0.39 0.00 0.87 0.59 -1.46 113.55 114.57 1rql h SER 114 Ca 0.51 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 1rql h SER 114 Cb 0.70 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1rql h SER 114 CO -0.35 0.85 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.70 1rql h LEU 115 N 0.56 0.70 -0.64 2.23 3.38 0.22 -2.78 115.31 118.98 1rql h LEU 115 Ca 0.08 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1rql h LEU 115 Cb 0.67 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1rql h LEU 115 CO 0.05 0.86 0.31 0.03 0.09 0.00 0.00 178.44 179.77 1rql h ARG 116 N 0.52 0.92 0.00 1.13 3.08 -0.89 -0.77 114.38 118.38 1rql h ARG 116 Ca 0.11 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1rql h ARG 116 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1rql h ARG 116 CO 0.03 0.73 0.00 0.93 -1.07 0.00 0.00 179.97 180.58 1rql h GLU 117 N 0.88 0.00 -0.53 0.04 5.08 -1.15 0.35 114.58 119.24 1rql h GLU 117 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rql h GLU 117 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1rql h GLU 117 CO -0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 1rql n ARG 118 N -2.82 2.47 -1.94 2.33 1.74 -0.39 -4.95 116.66 113.11 1rql n ARG 118 Ca -0.02 -2.26 -0.09 0.00 -0.77 0.00 0.00 57.85 54.70 1rql n ARG 118 Cb 0.09 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1rql n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rql n GLY 119 N 1.51 0.28 3.81 -0.13 0.00 0.12 -5.02 105.19 105.76 1rql n GLY 119 Ca 0.21 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1rql n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rql s ILE 120 N -2.44 5.26 0.51 -0.61 1.01 -0.65 -4.98 121.20 119.28 1rql s ILE 120 Ca 0.00 0.57 -0.19 0.00 0.00 0.00 0.00 60.65 61.03 1rql s ILE 120 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1rql s ILE 120 CO 0.00 0.52 1.04 -0.54 0.00 0.00 0.00 174.94 175.96 1rql s LYS 121 N -0.50 3.71 -0.24 2.79 -0.14 -0.62 -4.27 119.74 120.48 1rql s LYS 121 Ca 0.19 1.33 0.01 0.00 -1.36 0.00 0.00 55.97 56.14 1rql s LYS 121 Cb -0.14 -2.08 0.06 0.00 -1.68 0.00 0.00 37.83 33.99 1rql s LYS 121 CO 0.07 -0.50 -0.05 0.42 -0.76 0.00 0.00 175.35 174.53 1rql s ILE 122 N -2.07 1.53 0.43 2.17 -1.09 -1.26 -1.90 121.20 119.00 1rql s ILE 122 Ca 0.67 -1.23 0.06 0.00 -2.23 0.00 0.00 60.65 57.92 1rql s ILE 122 Cb -0.16 -1.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.86 1rql s ILE 122 CO 0.23 -0.11 0.10 -0.83 -1.23 0.00 0.00 174.94 173.11 1rql s GLY 123 N 1.39 2.49 -0.01 6.18 0.00 -0.47 -0.54 107.32 116.35 1rql s GLY 123 Ca -0.06 -1.95 -0.23 0.00 0.00 0.00 0.00 44.72 42.48 1rql s GLY 123 CO -0.06 -2.02 0.52 -1.35 0.00 0.00 0.00 173.10 170.18 1rql s SER 124 N -3.84 -0.45 0.09 1.64 1.04 -0.96 -0.17 113.70 111.05 1rql s SER 124 Ca 0.34 0.37 0.01 0.00 0.48 0.00 0.00 55.95 57.16 1rql s SER 124 Cb 0.06 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1rql s SER 124 CO 0.18 -0.58 -0.06 0.42 0.98 0.00 0.00 173.24 174.18 1rql s THR 125 N -1.55 0.65 0.33 2.02 -4.23 -0.95 -2.08 115.64 109.83 1rql s THR 125 Ca -0.10 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 1rql s THR 125 Cb -0.02 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.19 1rql s THR 125 CO 0.05 -0.88 0.68 0.28 -0.54 0.00 0.00 174.62 174.21 1rql s THR 126 N -3.63 0.00 -0.39 3.99 -1.32 -1.16 -3.46 115.64 109.66 1rql s THR 126 Ca 0.11 -1.16 0.17 0.00 -1.21 0.00 0.00 61.69 59.61 1rql s THR 126 Cb 0.05 -2.53 -0.23 0.00 -1.51 0.00 0.00 72.50 68.28 1rql s THR 126 CO -0.05 0.00 0.55 0.61 -2.21 0.00 0.00 174.62 173.52 1rql n GLY 127 N -0.50 -0.72 3.77 6.08 0.00 -1.24 -4.34 105.19 108.24 1rql n GLY 127 Ca -0.05 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1rql n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rql s TYR 128 N -2.94 2.56 0.97 1.61 2.02 -1.26 -2.63 117.35 117.68 1rql s TYR 128 Ca -0.00 1.54 -0.15 0.00 -0.37 0.00 0.00 57.07 58.09 1rql s TYR 128 Cb 0.12 -3.33 0.18 0.00 -0.40 0.00 0.00 41.96 38.53 1rql s TYR 128 CO 0.72 -1.81 1.20 0.95 -1.57 0.00 0.00 175.55 175.04 1rql s THR 129 N -1.83 1.92 0.22 -0.71 -4.23 -1.26 -4.35 115.64 105.40 1rql s THR 129 Ca 0.73 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 1rql s THR 129 Cb -0.25 -2.82 0.10 0.00 1.34 0.00 0.00 72.50 70.87 1rql s THR 129 CO 0.32 0.00 1.71 -0.09 -0.54 0.00 0.00 174.62 176.02 1rql h ARG 130 N -1.70 0.97 -0.64 3.99 2.43 -1.96 0.17 114.38 117.64 1rql h ARG 130 Ca -0.47 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.39 1rql h ARG 130 Cb 1.29 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1rql h ARG 130 CO 0.49 0.93 0.24 1.49 -1.51 0.00 0.00 179.97 181.61 1rql h GLU 131 N 0.90 0.96 -0.18 0.20 4.81 -2.00 -0.62 114.58 118.65 1rql h GLU 131 Ca 0.17 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1rql h GLU 131 Cb 0.47 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1rql h GLU 131 CO 0.02 0.82 -0.02 0.52 -0.73 0.00 0.00 179.01 179.62 1rql h MET 132 N 0.90 0.33 0.00 1.92 2.86 -1.86 -2.81 114.93 116.28 1rql h MET 132 Ca 0.21 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1rql h MET 132 Cb 0.23 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1rql h MET 132 CO -0.01 0.57 -0.01 0.52 1.06 0.00 0.00 176.91 179.04 1rql h MET 133 N 0.06 0.00 -0.47 1.72 2.86 -0.64 -1.21 114.93 117.26 1rql h MET 133 Ca 0.05 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1rql h MET 133 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1rql h MET 133 CO 0.01 0.01 -0.05 -0.44 1.06 0.00 0.00 176.91 177.50 1rql h ASP 134 N 0.00 0.85 0.17 1.22 3.32 -0.84 0.45 116.42 121.60 1rql h ASP 134 Ca -0.00 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1rql h ASP 134 Cb 0.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1rql h ASP 134 CO 0.00 0.98 -0.08 0.40 -1.72 0.00 0.00 179.24 178.82 1rql h ILE 135 N 0.71 0.84 -0.27 0.35 2.04 -1.29 -2.90 117.51 116.99 1rql h ILE 135 Ca 0.13 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.93 1rql h ILE 135 Cb 0.57 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1rql h ILE 135 CO 0.03 0.21 0.14 0.58 0.00 0.00 0.00 178.15 179.11 1rql h VAL 136 N -0.84 1.00 0.00 1.67 2.07 -1.27 -2.58 116.25 116.30 1rql h VAL 136 Ca -0.02 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1rql h VAL 136 Cb 0.52 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1rql h VAL 136 CO 0.04 0.05 -0.30 0.00 0.02 0.00 0.00 177.57 177.38 1rql h ALA 137 N 1.14 1.32 0.27 1.67 0.00 -0.21 -0.82 119.26 122.62 1rql h ALA 137 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1rql h ALA 137 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rql h ALA 137 CO -0.07 0.38 -0.13 -0.22 0.00 0.00 0.00 179.25 179.21 1rql h LYS 138 N 0.00 -0.35 -0.43 0.00 3.64 -1.28 -1.83 116.57 116.32 1rql h LYS 138 Ca -0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1rql h LYS 138 Cb 0.60 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1rql h LYS 138 CO 0.04 -0.02 0.23 1.49 -2.27 0.00 0.00 179.45 178.92 1rql h GLU 139 N -0.74 0.59 -0.47 1.90 4.57 -1.39 -1.98 114.58 117.06 1rql h GLU 139 Ca -0.04 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1rql h GLU 139 Cb 0.50 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1rql h GLU 139 CO 0.06 0.44 -0.09 0.00 -1.18 0.00 0.00 179.01 178.24 1rql h ALA 140 N 1.66 0.64 -0.47 2.92 0.00 -1.10 -2.22 119.26 120.70 1rql h ALA 140 Ca 0.15 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1rql h ALA 140 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1rql h ALA 140 CO -0.02 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.94 1rql h ALA 141 N 0.89 0.61 -0.14 0.00 0.00 -0.68 -0.15 119.26 119.78 1rql h ALA 141 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1rql h ALA 141 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1rql h ALA 141 CO 0.04 0.22 0.03 -0.07 0.00 0.00 0.00 179.25 179.48 1rql h LEU 142 N 0.62 0.17 -1.76 0.00 3.38 -1.26 0.45 115.31 116.91 1rql h LEU 142 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rql h LEU 142 Cb 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rql h LEU 142 CO -0.01 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1rql n GLN 143 N -4.45 2.35 -0.46 1.13 6.02 -0.73 -4.91 117.38 116.33 1rql n GLN 143 Ca -0.01 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 1rql n GLN 143 Cb 0.13 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1rql n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rql n GLY 144 N 0.60 0.73 3.29 1.08 0.00 0.15 -4.80 105.19 106.23 1rql n GLY 144 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1rql n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rql s TYR 145 N -2.90 2.83 -0.30 1.61 5.04 -0.15 -4.97 117.35 118.50 1rql s TYR 145 Ca 0.00 -0.95 0.05 0.00 -2.44 0.00 0.00 57.07 53.73 1rql s TYR 145 Cb 0.00 -1.92 0.19 0.00 0.35 0.00 0.00 41.96 40.57 1rql s TYR 145 CO 0.00 -0.44 0.54 0.21 -1.34 0.00 0.00 175.55 174.52 1rql s LYS 146 N 0.85 0.55 0.99 4.97 2.20 -1.26 -2.48 119.74 125.55 1rql s LYS 146 Ca -0.04 0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.77 1rql s LYS 146 Cb -0.15 0.05 0.19 0.00 -1.51 0.00 0.00 37.83 36.41 1rql s LYS 146 CO -0.00 -1.06 1.09 -1.25 -0.36 0.00 0.00 175.35 173.76 1rql s PRO 147 N 2.62 0.44 0.48 4.03 0.04 -1.26 -4.90 135.00 136.45 1rql s PRO 147 Ca 0.11 1.10 0.24 0.00 0.04 0.00 0.00 61.00 62.48 1rql s PRO 147 Cb -0.10 -1.69 1.24 0.00 0.04 0.00 0.00 34.50 33.98 1rql s PRO 147 CO -0.25 -2.88 1.99 -0.44 0.04 0.00 0.00 177.00 175.46 1rql h ASP 148 N -2.03 0.00 -5.02 6.66 3.32 -1.19 -3.45 116.42 114.72 1rql h ASP 148 Ca -0.51 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 1rql h ASP 148 Cb 1.29 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.67 1rql h ASP 148 CO 0.48 0.18 -0.13 0.12 -1.72 0.00 0.00 179.24 178.17 1rql s PHE 149 N -4.13 -0.28 -0.01 4.55 5.36 -1.08 -5.03 117.98 117.37 1rql s PHE 149 Ca -0.02 0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.28 1rql s PHE 149 Cb 0.13 0.20 -0.00 0.00 -0.34 0.00 0.00 43.02 43.01 1rql s PHE 149 CO 0.62 -0.52 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.63 1rql s LEU 150 N -1.74 1.98 -0.04 6.12 2.96 -1.26 -2.27 118.68 124.43 1rql s LEU 150 Ca -0.08 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1rql s LEU 150 Cb -0.02 -0.31 0.03 0.00 0.50 0.00 0.00 46.19 46.40 1rql s LEU 150 CO 0.01 0.07 0.05 -0.69 -1.32 0.00 0.00 176.35 174.46 1rql s VAL 151 N -0.09 -0.07 0.48 1.68 1.01 -0.88 -4.98 120.40 117.54 1rql s VAL 151 Ca 0.02 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.42 1rql s VAL 151 Cb -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1rql s VAL 151 CO -0.00 0.16 0.47 0.42 0.00 0.00 0.00 175.10 176.14 1rql s THR 152 N 1.82 2.33 -0.20 3.92 -4.23 -1.26 -2.98 115.64 115.04 1rql s THR 152 Ca 0.01 -1.30 0.28 0.00 -1.18 0.00 0.00 61.69 59.50 1rql s THR 152 Cb -0.12 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.39 1rql s THR 152 CO -0.03 0.00 1.84 -0.65 -0.54 0.00 0.00 174.62 175.24 1rql h PRO 153 N 0.79 0.00 0.00 3.99 0.11 -1.76 -2.47 132.00 132.65 1rql h PRO 153 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1rql h PRO 153 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1rql h PRO 153 CO 0.54 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 1rql n ASP 154 N -2.57 0.29 -0.90 -2.05 8.00 -1.26 -1.58 116.55 116.48 1rql n ASP 154 Ca 0.01 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.23 1rql n ASP 154 Cb 0.23 -0.65 0.09 0.00 -0.02 0.00 0.00 41.12 40.77 1rql n ASP 154 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rql n ASP 155 N -1.86 2.87 -4.12 -2.24 9.92 -0.93 -5.01 116.55 115.19 1rql n ASP 155 Ca 0.01 -1.94 -0.12 0.00 -0.53 0.00 0.00 54.79 52.22 1rql n ASP 155 Cb 0.09 0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 40.50 1rql n ASP 155 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1rql s VAL 156 N -1.91 0.00 0.33 2.53 -7.23 -0.62 -5.05 120.40 108.45 1rql s VAL 156 Ca 0.26 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1rql s VAL 156 Cb 0.19 -2.44 0.32 0.00 0.56 0.00 0.00 36.38 35.01 1rql s VAL 156 CO 0.29 0.00 1.82 -0.65 -0.31 0.00 0.00 175.10 176.26 1rql h PRO 157 N 2.52 0.72 -3.08 4.82 0.11 -1.95 -3.45 132.00 131.68 1rql h PRO 157 Ca -0.33 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.75 1rql h PRO 157 Cb 1.25 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 1rql h PRO 157 CO 0.48 0.48 0.17 0.00 -0.21 0.00 0.00 178.00 178.92 1rql s ALA 158 N -5.77 -1.27 0.65 -0.75 0.00 -1.26 -5.10 121.76 108.26 1rql s ALA 158 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1rql s ALA 158 Cb 0.23 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.22 1rql s ALA 158 CO 0.80 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1rql n GLY 159 N -0.40 0.64 3.74 0.00 0.00 -1.26 -4.66 105.19 103.24 1rql n GLY 159 Ca -0.10 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1rql n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rql s ARG 160 N 1.20 2.54 0.00 1.61 0.52 -1.26 -2.09 118.95 121.47 1rql s ARG 160 Ca 0.00 1.83 0.28 0.00 -0.52 0.00 0.00 55.73 57.32 1rql s ARG 160 Cb 0.00 -1.87 1.43 0.00 0.52 0.00 0.00 34.95 35.03 1rql s ARG 160 CO 0.00 -1.54 1.98 -2.30 0.02 0.00 0.00 175.30 173.45 1rql n PRO 161 N -2.15 0.41 -1.64 3.54 -0.02 -1.26 -4.69 135.00 129.20 1rql n PRO 161 Ca 0.14 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1rql n PRO 161 Cb 0.50 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1rql n PRO 161 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rql n TYR 162 N -1.28 1.50 0.81 6.00 4.02 -0.89 -3.95 117.16 123.38 1rql n TYR 162 Ca 0.14 0.56 0.04 0.00 -0.01 0.00 0.00 57.90 58.62 1rql n TYR 162 Cb 0.22 -2.28 0.14 0.00 -0.02 0.00 0.00 39.34 37.40 1rql n TYR 162 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1rql n PRO 163 N 0.19 1.95 0.16 -0.72 -0.04 -1.26 -4.50 135.00 130.78 1rql n PRO 163 Ca 0.08 -1.08 -0.14 0.00 -0.04 0.00 0.00 63.50 62.32 1rql n PRO 163 Cb 0.38 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1rql n PRO 163 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1rql h TRP 164 N 1.61 -0.74 -0.82 0.54 -0.00 -1.90 -2.34 115.95 112.30 1rql h TRP 164 Ca 0.00 0.01 0.15 0.00 -0.00 0.00 0.00 58.89 59.05 1rql h TRP 164 Cb 0.62 0.30 -0.06 0.00 -0.00 0.00 0.00 29.16 30.02 1rql h TRP 164 CO 0.27 -0.40 0.54 0.52 -0.00 0.00 0.00 178.44 179.37 1rql h MET 165 N -0.56 0.52 -0.46 0.49 2.86 -1.83 -0.96 114.93 114.99 1rql h MET 165 Ca 0.00 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1rql h MET 165 Cb 0.53 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1rql h MET 165 CO -0.09 0.35 -0.23 0.00 1.06 0.00 0.00 176.91 177.99 1rql h TYR 167 N 0.83 1.17 -0.63 0.00 0.05 -0.67 -0.72 116.97 117.01 1rql h TYR 167 Ca 0.10 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1rql h TYR 167 Cb 0.81 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1rql h TYR 167 CO 0.05 0.83 0.27 -0.22 -1.05 0.00 0.00 178.16 178.04 1rql h LYS 168 N 1.17 0.92 -0.81 4.88 3.64 -1.40 0.15 116.57 125.12 1rql h LYS 168 Ca 0.29 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1rql h LYS 168 Cb 0.07 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1rql h LYS 168 CO -0.04 0.77 0.51 -0.91 -2.27 0.00 0.00 179.45 177.50 1rql h ASN 169 N 0.87 0.81 -0.18 4.20 2.35 -1.14 -0.18 115.58 122.31 1rql h ASN 169 Ca 0.21 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1rql h ASN 169 Cb 0.17 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1rql h ASN 169 CO -0.02 0.54 0.07 0.00 -1.65 0.00 0.00 177.43 176.37 1rql h ALA 170 N 1.37 0.23 -0.56 -0.83 0.00 -0.18 -1.31 119.26 117.97 1rql h ALA 170 Ca 0.34 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1rql h ALA 170 Cb 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1rql h ALA 170 CO -0.15 -0.18 0.26 0.52 0.00 0.00 0.00 179.25 179.69 1rql h MET 171 N 0.13 0.47 0.04 0.00 2.86 -0.02 0.24 114.93 118.65 1rql h MET 171 Ca 0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1rql h MET 171 Cb 0.17 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1rql h MET 171 CO -0.00 0.31 -0.02 1.49 1.06 0.00 0.00 176.91 179.74 1rql h GLU 172 N 0.48 -0.06 0.00 1.72 4.57 -0.92 -2.91 114.58 117.47 1rql h GLU 172 Ca 0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1rql h GLU 172 Cb 0.23 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1rql h GLU 172 CO -0.22 0.22 0.00 1.28 -1.18 0.00 0.00 179.01 179.12 1rql n LEU 173 N -4.98 0.00 -3.54 1.64 4.77 -0.51 -4.93 117.00 109.45 1rql n LEU 173 Ca -0.08 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 1rql n LEU 173 Cb 0.17 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1rql n LEU 173 CO 0.33 -0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 176.91 1rql n GLY 174 N 0.83 -0.60 3.20 -0.72 0.00 0.79 -5.01 105.19 103.68 1rql n GLY 174 Ca 0.08 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 1rql n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rql s VAL 175 N -3.51 1.84 0.02 1.61 1.01 -0.90 -5.05 120.40 115.42 1rql s VAL 175 Ca 0.17 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 1rql s VAL 175 Cb -0.04 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1rql s VAL 175 CO 0.79 0.51 0.57 -0.72 0.00 0.00 0.00 175.10 176.25 1rql s TYR 176 N 0.15 -0.50 0.36 5.22 1.13 -1.26 -4.72 117.35 117.73 1rql s TYR 176 Ca -0.11 0.67 -0.06 0.00 -1.41 0.00 0.00 57.07 56.16 1rql s TYR 176 Cb -0.15 0.37 0.08 0.00 -1.10 0.00 0.00 41.96 41.17 1rql s TYR 176 CO 0.05 -0.64 0.47 -2.30 -2.51 0.00 0.00 175.55 170.63 1rql n PRO 177 N 0.55 -0.59 0.27 -3.49 -0.02 -1.26 -4.86 135.00 125.60 1rql n PRO 177 Ca -0.19 -0.73 0.12 0.00 -2.02 0.00 0.00 63.50 60.69 1rql n PRO 177 Cb 0.59 -0.50 0.76 0.00 -0.02 0.00 0.00 33.50 34.33 1rql n PRO 177 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1rql h MET 178 N 0.00 0.00 0.00 -0.52 2.86 -1.85 -2.00 114.93 113.41 1rql h MET 178 Ca -0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1rql h MET 178 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1rql h MET 178 CO 0.11 0.07 0.00 0.27 1.06 0.00 0.00 176.91 178.42 1rql n ASN 179 N -3.91 0.00 -1.11 1.22 6.94 -1.23 -1.27 115.26 115.89 1rql n ASN 179 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.64 1rql n ASN 179 Cb 0.16 -0.22 0.27 0.00 -2.36 0.00 0.00 39.78 37.64 1rql n ASN 179 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1rql n HIS 180 N -1.22 0.73 -4.64 -2.53 8.25 -0.75 -4.76 115.22 110.31 1rql n HIS 180 Ca 0.06 -0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 56.91 1rql n HIS 180 Cb 0.08 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.05 1rql n HIS 180 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rql s MET 181 N -1.27 1.38 -0.01 -0.41 -1.94 -0.40 -0.72 119.30 115.93 1rql s MET 181 Ca 0.40 -0.94 0.05 0.00 -1.71 0.00 0.00 55.69 53.50 1rql s MET 181 Cb 0.22 -1.49 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 1rql s MET 181 CO 0.29 0.38 -0.15 0.42 -0.01 0.00 0.00 175.02 175.95 1rql s ILE 182 N -0.80 3.02 -0.11 2.53 1.01 -0.05 -1.65 121.20 125.16 1rql s ILE 182 Ca 0.07 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1rql s ILE 182 Cb -0.09 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1rql s ILE 182 CO 0.02 0.48 -0.14 -0.75 0.00 0.00 0.00 174.94 174.55 1rql s LYS 183 N -1.05 3.14 -0.09 2.79 2.36 0.32 -0.37 119.74 126.84 1rql s LYS 183 Ca 0.13 -0.70 0.03 0.00 -2.55 0.00 0.00 55.97 52.88 1rql s LYS 183 Cb -0.11 -2.55 0.01 0.00 -1.05 0.00 0.00 37.83 34.13 1rql s LYS 183 CO 0.03 0.32 -0.17 0.08 1.55 0.00 0.00 175.35 177.16 1rql s VAL 184 N 0.06 1.53 0.28 4.02 1.01 -0.92 -0.25 120.40 126.13 1rql s VAL 184 Ca -0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1rql s VAL 184 Cb -0.15 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 1rql s VAL 184 CO 0.04 0.44 0.44 -0.83 0.00 0.00 0.00 175.10 175.20 1rql s GLY 185 N 0.68 1.00 -0.04 4.51 0.00 -0.65 -2.15 107.32 110.66 1rql s GLY 185 Ca -0.13 -1.22 0.08 0.00 0.00 0.00 0.00 44.72 43.45 1rql s GLY 185 CO 0.03 -0.86 1.15 2.09 0.00 0.00 0.00 173.10 175.52 1rql n ASP 186 N -0.77 2.54 -3.80 1.64 5.75 -1.26 -1.76 116.55 118.88 1rql n ASP 186 Ca -0.00 -2.29 -0.16 0.00 -0.01 0.00 0.00 54.79 52.33 1rql n ASP 186 Cb 0.62 -0.20 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 1rql n ASP 186 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1rql s THR 187 N -1.50 0.01 0.17 2.12 -4.23 -1.26 -3.17 115.64 107.78 1rql s THR 187 Ca 0.17 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.58 1rql s THR 187 Cb 0.12 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.50 1rql s THR 187 CO 0.06 0.00 1.60 0.58 -0.54 0.00 0.00 174.62 176.32 1rql h VAL 188 N 2.39 1.27 0.00 2.29 2.07 -1.88 -2.78 116.25 119.60 1rql h VAL 188 Ca -0.31 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 65.90 1rql h VAL 188 Cb 1.24 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1rql h VAL 188 CO 0.45 0.45 -0.26 0.77 0.02 0.00 0.00 177.57 178.99 1rql h SER 189 N 0.93 0.00 0.07 0.57 4.64 -1.90 -1.45 113.55 116.41 1rql h SER 189 Ca 0.15 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 1rql h SER 189 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1rql h SER 189 CO 0.05 0.26 -0.36 0.44 -0.87 0.00 0.00 176.83 176.36 1rql h ASP 190 N 0.00 0.42 -0.06 4.97 3.32 -1.82 -1.67 116.42 121.58 1rql h ASP 190 Ca -0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1rql h ASP 190 Cb 0.53 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1rql h ASP 190 CO 0.03 0.74 -0.11 0.24 -1.72 0.00 0.00 179.24 178.42 1rql h MET 191 N 0.34 0.18 0.00 3.56 2.86 -1.03 -2.62 114.93 118.22 1rql h MET 191 Ca 0.04 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1rql h MET 191 Cb 0.79 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1rql h MET 191 CO 0.06 0.70 -0.19 0.87 1.06 0.00 0.00 176.91 179.41 1rql h LYS 192 N -0.32 0.00 -0.23 1.72 1.57 -1.36 -2.06 116.57 115.88 1rql h LYS 192 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1rql h LYS 192 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1rql h LYS 192 CO 0.03 0.19 -0.50 1.49 -0.57 0.00 0.00 179.45 180.09 1rql h GLU 193 N 0.00 0.63 -0.05 3.15 4.81 -1.20 -1.46 114.58 120.46 1rql h GLU 193 Ca -0.00 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1rql h GLU 193 Cb 0.43 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1rql h GLU 193 CO 0.02 0.98 -0.05 0.78 -0.73 0.00 0.00 179.01 180.01 1rql h GLY 194 N 1.00 0.13 1.04 1.92 0.00 -1.01 -1.81 103.07 104.35 1rql h GLY 194 Ca 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1rql h GLY 194 CO 0.10 0.12 0.09 3.21 0.00 0.00 0.00 176.54 180.07 1rql h ARG 195 N -0.33 1.02 -0.82 4.80 2.47 -1.46 -1.71 114.38 118.34 1rql h ARG 195 Ca 0.01 -0.28 0.01 0.00 -1.26 0.00 0.00 59.98 58.46 1rql h ARG 195 Cb 0.56 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.72 1rql h ARG 195 CO 0.01 0.96 0.53 -0.91 0.56 0.00 0.00 179.97 181.12 1rql h ASN 196 N 0.92 0.96 0.75 7.04 2.35 -1.29 -1.66 115.58 124.64 1rql h ASN 196 Ca 0.19 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1rql h ASN 196 Cb 0.43 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1rql h ASN 196 CO 0.01 0.70 0.00 0.00 -1.65 0.00 0.00 177.43 176.50 1rql n ALA 197 N -2.33 1.90 -1.63 -0.83 0.00 -0.68 -4.84 120.51 112.10 1rql n ALA 197 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1rql n ALA 197 Cb 0.02 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 1rql n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rql n GLY 198 N 0.52 0.38 3.79 0.00 0.00 -0.62 -4.85 105.19 104.42 1rql n GLY 198 Ca 0.04 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1rql n GLY 198 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rql s MET 199 N -3.29 2.20 0.03 1.61 0.23 -0.87 -3.57 119.30 115.64 1rql s MET 199 Ca 0.00 -2.12 -0.30 0.00 -1.03 0.00 0.00 55.69 52.23 1rql s MET 199 Cb 0.00 -1.83 -0.05 0.00 -1.53 0.00 0.00 34.83 31.42 1rql s MET 199 CO 0.00 -0.36 1.26 -1.58 -2.03 0.00 0.00 175.02 172.31 1rql s TRP 200 N -2.76 3.25 -0.10 3.16 0.52 -0.66 -4.52 118.94 117.83 1rql s TRP 200 Ca 0.25 1.15 0.01 0.00 0.02 0.00 0.00 56.10 57.54 1rql s TRP 200 Cb 0.02 -3.49 -0.02 0.00 -1.15 0.00 0.00 33.47 28.82 1rql s TRP 200 CO 0.15 -1.62 -0.12 0.99 0.02 0.00 0.00 176.95 176.36 1rql s THR 201 N 1.57 3.20 0.01 2.01 2.01 -1.26 0.12 115.64 123.30 1rql s THR 201 Ca 0.60 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1rql s THR 201 Cb -0.30 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1rql s THR 201 CO 0.27 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.99 1rql s VAL 202 N -0.11 0.53 -0.06 3.82 1.01 0.66 -0.12 120.40 126.13 1rql s VAL 202 Ca -0.01 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1rql s VAL 202 Cb -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1rql s VAL 202 CO 0.03 0.00 -0.22 -0.83 0.00 0.00 0.00 175.10 174.09 1rql s GLY 203 N -0.55 1.37 -0.17 4.51 0.00 -1.07 -1.64 107.32 109.77 1rql s GLY 203 Ca -0.01 -1.03 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 1rql s GLY 203 CO 0.00 -0.67 0.05 0.14 0.00 0.00 0.00 173.10 172.62 1rql s VAL 204 N -0.29 4.69 -0.09 1.40 1.01 -0.72 -1.54 120.40 124.86 1rql s VAL 204 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1rql s VAL 204 Cb -0.13 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1rql s VAL 204 CO 0.03 0.48 -0.10 0.40 0.00 0.00 0.00 175.10 175.91 1rql h ILE 205 N 4.81 0.00 -2.50 2.22 2.04 -1.31 -3.38 117.51 119.38 1rql h ILE 205 Ca -0.38 -0.65 -0.53 0.00 1.00 0.00 0.00 64.86 64.30 1rql h ILE 205 Cb 1.17 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1rql h ILE 205 CO 0.68 0.00 1.14 -0.76 0.00 0.00 0.00 178.15 179.21 1rql s LEU 206 N -6.92 4.40 0.00 1.44 1.43 -0.18 -0.70 118.68 118.15 1rql s LEU 206 Ca -0.08 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1rql s LEU 206 Cb 0.01 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1rql s LEU 206 CO 0.12 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1rql n GLY 207 N 4.31 1.34 3.71 -3.19 0.00 -1.26 -4.83 105.19 105.27 1rql n GLY 207 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1rql n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rql s SER 208 N -2.18 3.59 0.09 1.61 1.04 0.12 0.79 113.70 118.76 1rql s SER 208 Ca 0.00 1.97 -0.16 0.00 0.48 0.00 0.00 55.95 58.24 1rql s SER 208 Cb 0.00 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 1rql s SER 208 CO 0.00 -2.64 1.44 -1.28 0.98 0.00 0.00 173.24 171.74 1rql h SER 209 N -1.55 0.66 -0.65 7.02 0.87 -1.78 -2.42 113.55 115.71 1rql h SER 209 Ca -0.44 -0.43 0.11 0.00 -1.23 0.00 0.00 61.79 59.80 1rql h SER 209 Cb 1.25 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 1rql h SER 209 CO 0.47 0.95 0.43 -0.33 -0.53 0.00 0.00 176.83 177.82 1rql h GLU 210 N 0.38 0.43 0.01 2.24 4.39 -1.90 0.25 114.58 120.38 1rql h GLU 210 Ca 0.06 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.52 1rql h GLU 210 Cb 0.72 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1rql h GLU 210 CO 0.05 0.28 -1.00 1.25 -1.16 0.00 0.00 179.01 178.44 1rql h LEU 211 N 0.44 0.05 1.91 1.33 7.12 -1.76 -3.47 115.31 120.92 1rql h LEU 211 Ca 0.30 -0.05 -0.33 0.00 0.13 0.00 0.00 57.88 57.93 1rql h LEU 211 Cb 0.59 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1rql h LEU 211 CO -0.09 1.01 -0.46 0.61 -0.13 0.00 0.00 178.44 179.38 1rql n GLY 212 N 1.29 -0.50 3.45 3.75 0.00 0.88 -4.99 105.19 109.07 1rql n GLY 212 Ca -0.01 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1rql n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rql s LEU 213 N -6.08 2.51 0.73 0.99 1.43 -1.26 -5.07 118.68 111.93 1rql s LEU 213 Ca 0.14 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.28 1rql s LEU 213 Cb -0.07 -1.17 0.11 0.00 0.03 0.00 0.00 46.19 45.09 1rql s LEU 213 CO 0.18 0.09 1.03 0.42 0.23 0.00 0.00 176.35 178.30 1rql s THR 214 N -1.97 2.23 0.24 5.49 -4.23 -1.26 -4.24 115.64 111.89 1rql s THR 214 Ca 0.24 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1rql s THR 214 Cb -0.07 -2.82 0.07 0.00 1.34 0.00 0.00 72.50 71.02 1rql s THR 214 CO 0.12 0.00 1.69 -0.33 -0.54 0.00 0.00 174.62 175.56 1rql h GLU 215 N -0.66 0.74 0.96 3.99 5.08 -2.00 -2.26 114.58 120.44 1rql h GLU 215 Ca -0.41 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 57.65 1rql h GLU 215 Cb 1.28 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1rql h GLU 215 CO 0.48 0.84 -0.47 1.49 -1.00 0.00 0.00 179.01 180.35 1rql h GLU 216 N 0.67 -1.26 -0.97 2.33 4.81 -1.99 -1.55 114.58 116.63 1rql h GLU 216 Ca 0.11 0.09 0.27 0.00 -0.13 0.00 0.00 59.36 59.70 1rql h GLU 216 Cb 0.61 0.29 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1rql h GLU 216 CO 0.04 -0.84 0.69 0.93 -0.73 0.00 0.00 179.01 179.10 1rql h GLU 217 N -1.31 0.04 0.08 1.92 5.08 -1.92 0.39 114.58 118.87 1rql h GLU 217 Ca -0.13 -0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.95 1rql h GLU 217 Cb 1.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1rql h GLU 217 CO 0.21 0.03 -1.35 0.28 -1.00 0.00 0.00 179.01 177.18 1rql h VAL 218 N 0.04 1.35 0.00 3.13 2.07 -1.09 -2.99 116.25 118.76 1rql h VAL 218 Ca 0.47 -3.01 -0.05 0.00 0.82 0.00 0.00 66.70 64.93 1rql h VAL 218 Cb 1.79 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 34.35 1rql h VAL 218 CO -0.03 0.84 -0.54 -0.33 0.02 0.00 0.00 177.57 177.53 1rql h GLU 219 N 0.05 0.00 -0.26 1.57 5.08 -0.19 -3.33 114.58 117.49 1rql h GLU 219 Ca -0.16 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1rql h GLU 219 Cb 1.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.14 1rql h GLU 219 CO 0.16 0.19 -0.07 0.09 -1.00 0.00 0.00 179.01 178.38 1rql n ASN 220 N -3.02 2.87 -4.89 1.42 4.13 0.01 -5.02 115.26 110.75 1rql n ASN 220 Ca 0.01 -3.46 -0.29 0.00 1.68 0.00 0.00 54.58 52.52 1rql n ASN 220 Cb 0.64 -0.58 -0.04 0.00 -1.54 0.00 0.00 39.78 38.26 1rql n ASN 220 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1rql s MET 221 N -3.07 3.28 -0.30 3.52 1.75 -1.13 -4.97 119.30 118.39 1rql s MET 221 Ca 0.42 -0.58 -0.37 0.00 -1.25 0.00 0.00 55.69 53.90 1rql s MET 221 Cb 0.37 -2.92 -0.13 0.00 2.84 0.00 0.00 34.83 34.99 1rql s MET 221 CO 0.03 0.56 1.99 -3.47 -0.65 0.00 0.00 175.02 173.47 1rql n ASP 222 N -0.02 2.33 -0.23 1.11 -0.08 -1.26 -4.79 116.55 113.61 1rql n ASP 222 Ca -0.07 0.74 0.04 0.00 -1.51 0.00 0.00 54.79 53.99 1rql n ASP 222 Cb 0.52 -1.21 0.15 0.00 2.34 0.00 0.00 41.12 42.92 1rql n ASP 222 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1rql h SER 223 N 9.90 -0.08 -0.53 1.67 0.02 -1.96 0.36 113.55 122.94 1rql h SER 223 Ca -0.36 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1rql h SER 223 Cb 1.32 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 64.05 1rql h SER 223 CO 0.99 -0.06 0.35 0.58 -1.14 0.00 0.00 176.83 177.56 1rql h VAL 224 N 0.22 1.14 -0.64 2.27 2.07 -2.00 -1.12 116.25 118.19 1rql h VAL 224 Ca 0.37 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1rql h VAL 224 Cb 0.62 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1rql h VAL 224 CO -0.50 0.13 0.22 -0.08 0.02 0.00 0.00 177.57 177.36 1rql h GLU 225 N 0.72 0.98 0.64 1.57 4.81 -1.41 -2.88 114.58 119.01 1rql h GLU 225 Ca 0.19 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1rql h GLU 225 Cb -0.08 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1rql h GLU 225 CO -0.04 0.84 -0.38 1.25 -0.73 0.00 0.00 179.01 179.96 1rql h LEU 226 N 0.91 -0.94 -1.84 1.64 5.85 0.28 -1.86 115.31 119.36 1rql h LEU 226 Ca 0.21 0.05 0.18 0.00 0.84 0.00 0.00 57.88 59.15 1rql h LEU 226 Cb 0.26 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1rql h LEU 226 CO -0.01 -0.60 0.48 0.03 -0.34 0.00 0.00 178.44 178.00 1rql h ARG 227 N -0.96 0.15 -0.42 1.25 2.47 -1.26 -0.09 114.38 115.52 1rql h ARG 227 Ca -0.08 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 1rql h ARG 227 Cb 0.77 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1rql h ARG 227 CO 0.09 0.10 -0.26 1.49 0.56 0.00 0.00 179.97 181.96 1rql h GLU 228 N 0.15 0.92 -0.05 0.04 4.81 -1.20 -2.26 114.58 117.00 1rql h GLU 228 Ca 0.34 -0.43 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 1rql h GLU 228 Cb 1.11 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1rql h GLU 228 CO -0.05 1.08 -0.76 0.87 -0.73 0.00 0.00 179.01 179.43 1rql h LYS 229 N 0.75 0.34 -0.62 1.92 1.57 -0.29 -2.93 116.57 117.30 1rql h LYS 229 Ca 0.09 -0.30 0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1rql h LYS 229 Cb 0.84 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1rql h LYS 229 CO 0.07 0.95 0.34 0.82 -0.57 0.00 0.00 179.45 181.07 1rql h ILE 230 N 0.23 0.98 -0.94 1.86 2.04 -1.02 -2.15 117.51 118.51 1rql h ILE 230 Ca -0.03 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1rql h ILE 230 Cb 1.34 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1rql h ILE 230 CO 0.13 0.12 0.62 -0.08 0.00 0.00 0.00 178.15 178.94 1rql h GLU 231 N 0.65 1.21 -0.26 2.37 4.57 -1.24 0.86 114.58 122.73 1rql h GLU 231 Ca 0.27 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1rql h GLU 231 Cb 0.15 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1rql h GLU 231 CO -0.17 0.80 -0.04 0.28 -1.18 0.00 0.00 179.01 178.71 1rql h VAL 232 N 1.25 1.27 -0.14 0.32 2.07 -1.24 0.15 116.25 119.94 1rql h VAL 232 Ca 0.35 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1rql h VAL 232 Cb -0.10 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1rql h VAL 232 CO -0.09 0.32 0.07 0.58 0.02 0.00 0.00 177.57 178.47 1rql h VAL 233 N 0.24 1.11 0.29 2.57 2.07 -1.14 0.33 116.25 121.72 1rql h VAL 233 Ca 0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1rql h VAL 233 Cb 0.49 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1rql h VAL 233 CO 0.02 0.10 -0.41 -0.09 0.02 0.00 0.00 177.57 177.21 1rql h ARG 234 N 0.11 -0.73 -0.79 1.57 2.43 -0.75 0.33 114.38 116.56 1rql h ARG 234 Ca 0.05 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 1rql h ARG 234 Cb 0.10 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 1rql h ARG 234 CO -0.01 -0.48 0.52 -0.97 -1.51 0.00 0.00 179.97 177.52 1rql h ASN 235 N -0.75 0.48 -0.21 -3.80 -0.73 -0.59 -1.96 115.58 108.02 1rql h ASN 235 Ca -0.01 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.11 1rql h ASN 235 Cb 0.71 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.22 1rql h ASN 235 CO -0.14 0.25 -0.17 -0.09 -0.37 0.00 0.00 177.43 176.92 1rql h ARG 236 N 0.52 0.48 -0.19 6.67 2.43 0.64 -1.53 114.38 123.40 1rql h ARG 236 Ca 0.39 -0.24 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1rql h ARG 236 Cb 0.77 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1rql h ARG 236 CO -0.14 0.80 0.03 0.74 -1.51 0.00 0.00 179.97 179.89 1rql h PHE 237 N 0.17 0.05 -0.10 2.20 0.04 0.33 -2.49 116.94 117.14 1rql h PHE 237 Ca 0.04 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1rql h PHE 237 Cb 0.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1rql h PHE 237 CO 0.07 0.01 0.06 0.28 -0.60 0.00 0.00 178.31 178.14 1rql h VAL 238 N 0.10 1.05 -1.13 -0.55 2.07 -1.44 -1.67 116.25 114.70 1rql h VAL 238 Ca 0.08 -0.13 0.32 0.00 0.82 0.00 0.00 66.70 67.80 1rql h VAL 238 Cb 0.08 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1rql h VAL 238 CO -0.12 0.05 0.81 -0.08 0.02 0.00 0.00 177.57 178.25 1rql h GLU 239 N 0.10 0.02 -0.51 1.57 4.81 -1.12 0.28 114.58 119.73 1rql h GLU 239 Ca 0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1rql h GLU 239 Cb 0.02 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1rql h GLU 239 CO -0.01 0.02 0.00 0.09 -0.73 0.00 0.00 179.01 178.38 1rql n ASN 240 N -4.22 5.24 0.00 1.04 3.02 -0.68 -4.95 115.26 114.71 1rql n ASN 240 Ca 0.24 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 1rql n ASN 240 Cb 1.18 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1rql n ASN 240 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rql n GLY 241 N 0.43 2.65 3.57 7.41 0.00 0.97 -4.06 105.19 116.17 1rql n GLY 241 Ca 0.26 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.81 1rql n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rql n ALA 242 N -0.85 -0.66 0.07 4.61 0.00 -0.91 -4.86 120.51 117.92 1rql n ALA 242 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 1rql n ALA 242 Cb 0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.32 1rql n ALA 242 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rql h HIS 243 N 2.54 0.40 -3.60 0.00 3.86 -0.88 -3.42 115.15 114.04 1rql h HIS 243 Ca -0.40 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 58.45 1rql h HIS 243 Cb 1.35 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.67 1rql h HIS 243 CO 0.50 1.29 -0.22 -0.06 0.86 0.00 0.00 177.93 180.30 1rql s PHE 244 N -2.64 -0.02 0.06 2.45 0.40 -0.97 -5.03 117.98 112.23 1rql s PHE 244 Ca -0.06 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1rql s PHE 244 Cb 0.07 0.10 -0.03 0.00 0.51 0.00 0.00 43.02 43.68 1rql s PHE 244 CO 0.86 -0.63 -0.14 0.95 0.70 0.00 0.00 175.22 176.97 1rql s THR 245 N -3.84 1.07 0.04 0.64 -4.23 -1.26 -2.59 115.64 105.47 1rql s THR 245 Ca 0.04 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1rql s THR 245 Cb 0.03 -1.01 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 1rql s THR 245 CO -0.11 -0.14 -0.06 0.27 -0.54 0.00 0.00 174.62 174.03 1rql s ILE 246 N -1.10 0.40 0.06 2.99 -4.36 -0.59 -4.95 121.20 113.65 1rql s ILE 246 Ca -0.01 -1.09 -0.14 0.00 -0.26 0.00 0.00 60.65 59.15 1rql s ILE 246 Cb -0.09 -0.58 -0.28 0.00 1.25 0.00 0.00 42.46 42.76 1rql s ILE 246 CO 0.02 -0.46 1.13 -0.33 0.24 0.00 0.00 174.94 175.53 1rql h GLU 247 N 4.43 0.63 -4.84 0.37 5.08 -1.95 -1.37 114.58 116.92 1rql h GLU 247 Ca -0.35 -0.80 -0.42 0.00 -1.00 0.00 0.00 59.36 56.80 1rql h GLU 247 Cb 1.20 0.26 -0.14 0.00 0.50 0.00 0.00 28.75 30.57 1rql h GLU 247 CO 0.43 1.36 -0.54 0.95 -1.00 0.00 0.00 179.01 180.21 1rql s THR 248 N -3.04 0.14 -1.17 1.13 -4.23 -1.26 -1.01 115.64 106.19 1rql s THR 248 Ca -0.09 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.65 1rql s THR 248 Cb 0.06 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.68 1rql s THR 248 CO 0.93 0.00 1.74 0.80 -0.54 0.00 0.00 174.62 177.55 1rql n MET 249 N -0.56 0.13 0.22 3.99 1.56 -1.26 -3.00 117.12 118.20 1rql n MET 249 Ca 0.04 0.09 0.08 0.00 -0.27 0.00 0.00 57.70 57.64 1rql n MET 249 Cb 0.64 -1.50 0.52 0.00 2.15 0.00 0.00 33.22 35.03 1rql n MET 249 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 1rql h GLN 250 N 0.00 0.00 0.00 2.12 7.50 -1.96 -2.82 115.11 119.95 1rql h GLN 250 Ca 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 1rql h GLN 250 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1rql h GLN 250 CO 0.00 0.24 -0.55 0.93 -1.50 0.00 0.00 178.83 177.96 1rql h GLU 251 N 0.00 0.00 -0.94 1.46 5.08 -1.97 -3.39 114.58 114.83 1rql h GLU 251 Ca -0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1rql h GLU 251 Cb 0.53 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.64 1rql h GLU 251 CO 0.03 0.42 -0.46 1.25 -1.00 0.00 0.00 179.01 179.25 1rql h LEU 252 N 0.00 -1.68 -0.78 1.33 5.85 -1.68 -0.79 115.31 117.56 1rql h LEU 252 Ca -0.02 0.31 0.18 0.00 0.84 0.00 0.00 57.88 59.19 1rql h LEU 252 Cb 1.35 0.81 -0.13 0.00 0.37 0.00 0.00 40.66 43.07 1rql h LEU 252 CO 0.06 -0.28 0.07 -0.08 -0.34 0.00 0.00 178.44 177.87 1rql h GLU 253 N -0.03 0.14 -0.56 1.25 4.57 -1.79 -0.04 114.58 118.12 1rql h GLU 253 Ca 0.26 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1rql h GLU 253 Cb 0.53 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1rql h GLU 253 CO -0.93 0.09 0.18 0.77 -1.18 0.00 0.00 179.01 177.94 1rql h SER 254 N 0.14 0.77 0.29 1.04 0.02 -1.42 -2.21 113.55 112.19 1rql h SER 254 Ca 0.44 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 61.14 1rql h SER 254 Cb 0.81 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1rql h SER 254 CO -0.65 0.73 -0.56 0.58 -1.14 0.00 0.00 176.83 175.79 1rql h VAL 255 N 0.82 1.36 -0.06 2.27 2.07 -0.83 -1.85 116.25 120.03 1rql h VAL 255 Ca 0.19 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 1rql h VAL 255 Cb 0.23 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1rql h VAL 255 CO -0.01 0.56 0.03 0.24 0.02 0.00 0.00 177.57 178.40 1rql h MET 256 N 0.22 0.08 -0.26 1.57 2.07 -0.77 -1.61 114.93 116.23 1rql h MET 256 Ca 0.00 -0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.66 1rql h MET 256 Cb 1.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.73 1rql h MET 256 CO 0.09 0.16 0.04 0.93 1.07 0.00 0.00 176.91 179.20 1rql h GLU 257 N -0.02 0.14 -0.55 1.72 5.08 -1.30 0.38 114.58 120.03 1rql h GLU 257 Ca 0.02 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1rql h GLU 257 Cb 0.10 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 1rql h GLU 257 CO -0.00 0.09 0.03 1.25 -1.00 0.00 0.00 179.01 179.37 1rql h HIS 258 N 0.14 0.01 -0.55 4.33 2.76 -1.09 -1.69 115.15 119.07 1rql h HIS 258 Ca 0.12 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1rql h HIS 258 Cb 0.13 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 1rql h HIS 258 CO -0.17 -0.11 0.34 0.82 -1.30 0.00 0.00 177.93 177.51 1rql h ILE 259 N 0.15 1.16 0.00 6.26 2.04 -0.34 -2.20 117.51 124.58 1rql h ILE 259 Ca 0.28 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1rql h ILE 259 Cb 0.44 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1rql h ILE 259 CO -0.44 0.17 0.00 -0.62 0.00 0.00 0.00 178.15 177.25 1rql n GLU 260 N -4.66 0.00 0.00 2.37 1.02 0.03 -4.93 120.64 114.48 1rql n GLU 260 Ca 0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1rql n GLU 260 Cb 0.05 -1.43 0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1rql n GLU 260 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94