#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8i s ALA 4 N 0.00 3.39 1.05 5.13 0.00 -1.26 -5.03 121.76 125.04 3b8i s ALA 4 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 3b8i s ALA 4 Cb 0.00 -3.42 0.23 0.00 0.00 0.00 0.00 23.12 19.92 3b8i s ALA 4 CO 0.00 -0.38 1.20 -1.54 0.00 0.00 0.00 175.76 175.04 3b8i s SER 5 N 0.70 2.26 0.21 0.00 1.04 -1.26 -4.83 113.70 111.82 3b8i s SER 5 Ca 0.56 0.53 -0.09 0.00 0.48 0.00 0.00 55.95 57.44 3b8i s SER 5 Cb -0.30 -0.75 0.14 0.00 0.10 0.00 0.00 66.02 65.22 3b8i s SER 5 CO 0.31 -3.29 1.78 0.45 0.98 0.00 0.00 173.24 173.48 3b8i h HIS 6 N -2.01 1.14 -0.83 5.02 3.86 -1.96 -1.80 115.15 118.57 3b8i h HIS 6 Ca -0.46 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 3b8i h HIS 6 Cb 1.28 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 3b8i h HIS 6 CO -1.33 0.85 0.53 1.25 0.86 0.00 0.00 177.93 180.09 3b8i h HIS 7 N 1.09 1.07 -0.11 2.45 -0.00 -1.93 -2.42 115.15 115.30 3b8i h HIS 7 Ca 0.26 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.50 3b8i h HIS 7 Cb 0.18 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 3b8i h HIS 7 CO 0.02 0.69 -0.54 0.93 -0.00 0.00 0.00 177.93 179.03 3b8i h GLU 8 N 1.13 0.32 -0.27 5.26 5.08 -1.83 -1.85 114.58 122.41 3b8i h GLU 8 Ca 0.30 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3b8i h GLU 8 Cb -0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3b8i h GLU 8 CO -0.06 0.78 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.46 3b8i h LEU 9 N 0.25 0.49 -0.51 1.33 3.38 -1.20 -1.42 115.31 117.63 3b8i h LEU 9 Ca 0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3b8i h LEU 9 Cb 1.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3b8i h LEU 9 CO 0.09 0.70 0.12 0.03 0.09 0.00 0.00 178.44 179.47 3b8i h ARG 10 N 0.45 0.82 -0.75 1.13 3.08 -1.04 -1.95 114.38 116.12 3b8i h ARG 10 Ca 0.07 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3b8i h ARG 10 Cb 0.60 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 3b8i h ARG 10 CO 0.04 0.79 0.39 0.00 -1.07 0.00 0.00 179.97 180.12 3b8i h ALA 11 N 0.99 1.28 -0.93 0.04 0.00 -1.09 -1.95 119.26 117.60 3b8i h ALA 11 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3b8i h ALA 11 Cb 0.35 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3b8i h ALA 11 CO 0.00 0.58 0.55 0.52 0.00 0.00 0.00 179.25 180.90 3b8i h MET 12 N 1.05 1.27 -0.33 0.00 2.86 -1.13 -0.92 114.93 117.72 3b8i h MET 12 Ca 0.26 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 3b8i h MET 12 Cb 0.06 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 3b8i h MET 12 CO -0.04 0.89 -0.10 0.35 1.06 0.00 0.00 176.91 179.08 3b8i h PHE 13 N 1.28 0.74 -0.48 -0.22 3.57 -0.82 -2.36 116.94 118.66 3b8i h PHE 13 Ca 0.33 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3b8i h PHE 13 Cb -0.05 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3b8i h PHE 13 CO 0.00 0.83 0.25 0.00 -2.23 0.00 0.00 178.31 177.16 3b8i h ARG 14 N 0.43 0.47 -0.40 1.11 2.47 -1.21 -1.58 114.38 115.67 3b8i h ARG 14 Ca 0.08 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.86 3b8i h ARG 14 Cb 0.60 -0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 28.73 3b8i h ARG 14 CO 0.04 0.31 -0.12 0.00 0.56 0.00 0.00 179.97 180.76 3b8i h ALA 15 N 1.25 0.24 -0.93 0.04 0.00 -1.07 0.21 119.26 119.00 3b8i h ALA 15 Ca 0.21 0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.38 3b8i h ALA 15 Cb 0.10 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3b8i h ALA 15 CO -0.14 -0.47 0.56 -0.07 0.00 0.00 0.00 179.25 179.13 3b8i h LEU 16 N -0.03 0.82 -0.40 0.00 3.38 -0.90 -0.57 115.31 117.62 3b8i h LEU 16 Ca 0.20 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3b8i h LEU 16 Cb 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3b8i h LEU 16 CO -0.43 0.45 -0.13 -0.07 0.09 0.00 0.00 178.44 178.35 3b8i h LEU 17 N 0.91 0.00 -0.36 1.67 3.38 -0.26 -2.87 115.31 117.79 3b8i h LEU 17 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3b8i h LEU 17 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3b8i h LEU 17 CO -0.26 0.13 -0.27 0.47 0.09 0.00 0.00 178.44 178.60 3b8i n ASP 18 N -3.16 0.82 -3.92 -0.43 8.00 0.63 -4.88 116.55 113.61 3b8i n ASP 18 Ca 0.03 -0.70 -0.26 0.00 0.71 0.00 0.00 54.79 54.57 3b8i n ASP 18 Cb 0.52 0.11 0.17 0.00 -0.02 0.00 0.00 41.12 41.90 3b8i n ASP 18 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3b8i n SER 19 N -0.86 0.39 -1.38 -2.24 3.41 -0.49 -4.99 113.62 107.46 3b8i n SER 19 Ca 0.11 -1.61 0.02 0.00 -0.26 0.00 0.00 58.87 57.14 3b8i n SER 19 Cb 0.33 -0.86 0.28 0.00 -0.26 0.00 0.00 64.21 63.71 3b8i n SER 19 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b8i n SER 20 N -3.57 4.16 -4.43 4.04 3.41 -1.26 -4.97 113.62 111.00 3b8i n SER 20 Ca 0.15 -3.20 -0.22 0.00 -0.26 0.00 0.00 58.87 55.35 3b8i n SER 20 Cb 0.54 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 3b8i n SER 20 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3b8i s ARG 21 N -2.95 1.56 0.36 4.33 0.52 -1.26 -4.78 118.95 116.73 3b8i s ARG 21 Ca 0.48 -1.71 0.08 0.00 -0.52 0.00 0.00 55.73 54.06 3b8i s ARG 21 Cb 0.39 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 3b8i s ARG 21 CO 0.10 0.26 0.14 0.00 0.02 0.00 0.00 175.30 175.82 3b8i s TYR 23 N -2.47 -0.06 -0.16 0.00 2.02 -0.40 -4.96 117.35 111.33 3b8i s TYR 23 Ca 0.38 0.18 -0.18 0.00 -0.37 0.00 0.00 57.07 57.09 3b8i s TYR 23 Cb -0.01 -0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.48 3b8i s TYR 23 CO 0.22 -0.05 0.48 -1.01 -1.57 0.00 0.00 175.55 173.62 3b8i s HIS 24 N 0.29 3.44 0.45 2.71 3.76 -1.26 0.35 115.29 125.03 3b8i s HIS 24 Ca -0.02 0.81 -0.23 0.00 -0.15 0.00 0.00 55.06 55.47 3b8i s HIS 24 Cb -0.03 -2.59 -0.08 0.00 1.11 0.00 0.00 32.58 30.99 3b8i s HIS 24 CO -0.01 0.05 1.14 0.95 -0.85 0.00 0.00 174.74 176.02 3b8i s THR 25 N 1.09 3.24 0.21 1.30 -4.23 -0.26 -4.75 115.64 112.24 3b8i s THR 25 Ca 0.24 0.93 -0.22 0.00 -1.18 0.00 0.00 61.69 61.46 3b8i s THR 25 Cb -0.15 -3.47 -0.08 0.00 1.34 0.00 0.00 72.50 70.14 3b8i s THR 25 CO 0.10 -0.02 0.75 0.00 -0.54 0.00 0.00 174.62 174.91 3b8i s ALA 26 N -1.58 3.42 -0.34 3.99 0.00 -0.73 -4.53 121.76 121.98 3b8i s ALA 26 Ca 0.63 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.55 3b8i s ALA 26 Cb -0.27 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 3b8i s ALA 26 CO 0.33 0.31 1.71 0.45 0.00 0.00 0.00 175.76 178.56 3b8i s SER 27 N -1.48 6.00 -0.28 0.00 0.15 -1.26 -0.26 113.70 116.57 3b8i s SER 27 Ca 0.41 1.21 0.02 0.00 0.70 0.00 0.00 55.95 58.29 3b8i s SER 27 Cb -0.19 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 61.67 3b8i s SER 27 CO 0.23 -1.64 -0.01 -0.69 1.20 0.00 0.00 173.24 172.33 3b8i s VAL 28 N 6.52 1.76 0.00 4.45 1.01 -0.58 -4.86 120.40 128.69 3b8i s VAL 28 Ca 0.76 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3b8i s VAL 28 Cb -0.21 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3b8i s VAL 28 CO 0.34 -0.33 0.00 2.22 0.00 0.00 0.00 175.10 177.32 3b8i n PHE 29 N 4.53 0.00 -3.90 5.22 1.16 -1.26 -3.36 117.46 119.84 3b8i n PHE 29 Ca -0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.43 3b8i n PHE 29 Cb 0.43 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.28 3b8i n PHE 29 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 3b8i s ASP 30 N -1.18 -0.03 0.21 5.98 1.47 -1.26 -4.90 116.67 116.96 3b8i s ASP 30 Ca 0.00 -0.92 -0.09 0.00 1.18 0.00 0.00 52.55 52.72 3b8i s ASP 30 Cb 0.00 0.72 0.24 0.00 -0.34 0.00 0.00 42.92 43.53 3b8i s ASP 30 CO 0.00 -1.38 1.81 -0.65 0.68 0.00 0.00 175.17 175.63 3b8i h PRO 31 N 2.07 0.69 -0.72 2.11 0.11 -1.90 -1.65 132.00 132.71 3b8i h PRO 31 Ca -0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3b8i h PRO 31 Cb 1.25 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3b8i h PRO 31 CO 0.32 0.45 0.32 0.52 -0.21 0.00 0.00 178.00 179.40 3b8i h MET 32 N 0.71 1.05 -0.23 1.05 2.86 -1.98 -1.84 114.93 116.55 3b8i h MET 32 Ca 0.30 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 3b8i h MET 32 Cb 0.17 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3b8i h MET 32 CO -0.17 0.85 -0.28 0.66 1.06 0.00 0.00 176.91 179.03 3b8i h SER 33 N 1.01 0.46 -0.33 1.22 4.64 -1.88 -2.11 113.55 116.58 3b8i h SER 33 Ca 0.24 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3b8i h SER 33 Cb 0.17 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3b8i h SER 33 CO -0.03 0.73 0.21 0.00 -0.87 0.00 0.00 176.83 176.88 3b8i h ALA 34 N 1.31 0.41 -0.59 5.18 0.00 -1.13 -1.45 119.26 122.99 3b8i h ALA 34 Ca 0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3b8i h ALA 34 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3b8i h ALA 34 CO 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.14 3b8i h ARG 35 N 0.44 1.05 -0.09 0.00 3.08 -1.24 -2.03 114.38 115.59 3b8i h ARG 35 Ca 0.12 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3b8i h ARG 35 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3b8i h ARG 35 CO -0.03 1.05 0.04 0.82 -1.07 0.00 0.00 179.97 180.78 3b8i h ILE 36 N 0.95 1.00 -0.35 2.04 2.04 -1.34 -1.41 117.51 120.44 3b8i h ILE 36 Ca 0.16 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.00 3b8i h ILE 36 Cb 0.60 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3b8i h ILE 36 CO 0.04 0.02 0.22 0.00 0.00 0.00 0.00 178.15 178.42 3b8i h ALA 37 N 1.04 0.45 -0.64 1.87 0.00 -1.23 -1.24 119.26 119.51 3b8i h ALA 37 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3b8i h ALA 37 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3b8i h ALA 37 CO -0.02 -0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.33 3b8i h ALA 38 N 1.14 0.84 -0.91 0.00 0.00 -1.37 -1.73 119.26 117.23 3b8i h ALA 38 Ca 0.14 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3b8i h ALA 38 Cb -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3b8i h ALA 38 CO -0.05 0.49 0.60 0.22 0.00 0.00 0.00 179.25 180.51 3b8i h ASP 39 N 0.92 0.95 1.28 0.00 3.58 -0.86 -2.54 116.42 119.75 3b8i h ASP 39 Ca 0.21 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3b8i h ASP 39 Cb 0.26 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3b8i h ASP 39 CO -0.01 0.63 0.00 -0.07 -2.88 0.00 0.00 179.24 176.91 3b8i h LEU 40 N 1.09 0.00 0.00 2.28 3.38 -1.08 -3.47 115.31 117.51 3b8i h LEU 40 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3b8i h LEU 40 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3b8i h LEU 40 CO -0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.01 3b8i n GLY 41 N 0.67 0.93 3.76 0.83 0.00 -0.96 -5.04 105.19 105.38 3b8i n GLY 41 Ca 0.03 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3b8i n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3b8i n PHE 42 N -2.13 2.86 0.09 1.61 3.72 -0.69 -4.91 117.46 118.00 3b8i n PHE 42 Ca 0.00 0.46 -0.11 0.00 -0.05 0.00 0.00 57.45 57.75 3b8i n PHE 42 Cb 0.00 -2.51 -0.07 0.00 -0.94 0.00 0.00 39.48 35.96 3b8i n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3b8i h GLU 43 N 2.90 0.21 -3.65 -1.08 3.07 -1.89 -3.43 114.58 110.71 3b8i h GLU 43 Ca -0.50 -0.27 -0.07 0.00 -0.50 0.00 0.00 59.36 58.02 3b8i h GLU 43 Cb 1.25 0.09 -0.11 0.00 -0.84 0.00 0.00 28.75 29.14 3b8i h GLU 43 CO 0.64 1.05 -0.16 0.00 -1.40 0.00 0.00 179.01 179.14 3b8i s GLY 45 N -2.96 1.11 -0.07 0.00 0.00 -0.28 -1.77 107.32 103.35 3b8i s GLY 45 Ca 0.17 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3b8i s GLY 45 CO 0.02 -1.49 -0.04 -1.50 0.00 0.00 0.00 173.10 170.09 3b8i s ILE 46 N -3.71 0.60 -0.50 0.90 1.10 0.64 -0.42 121.20 119.81 3b8i s ILE 46 Ca 0.22 -0.09 -0.19 0.00 -0.51 0.00 0.00 60.65 60.08 3b8i s ILE 46 Cb 0.06 -0.66 0.05 0.00 0.15 0.00 0.00 42.46 42.07 3b8i s ILE 46 CO 0.02 0.27 0.63 -0.22 -2.11 0.00 0.00 174.94 173.53 3b8i s LEU 47 N 1.37 4.91 0.11 8.50 2.96 0.51 -1.53 118.68 135.50 3b8i s LEU 47 Ca -0.03 -0.85 -0.19 0.00 -0.22 0.00 0.00 54.13 52.84 3b8i s LEU 47 Cb -0.13 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.01 3b8i s LEU 47 CO -0.03 -0.89 0.59 -0.83 -1.32 0.00 0.00 176.35 173.87 3b8i s GLY 48 N 2.63 2.64 0.37 7.98 0.00 -1.26 -1.52 107.32 118.16 3b8i s GLY 48 Ca 0.16 0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.98 3b8i s GLY 48 CO 0.13 0.43 1.97 -1.33 0.00 0.00 0.00 173.10 174.30 3b8i h GLY 49 N 4.23 0.89 1.43 0.20 0.00 -1.99 -1.75 103.07 106.08 3b8i h GLY 49 Ca -0.49 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.42 3b8i h GLY 49 CO 0.64 0.22 -0.35 1.48 0.00 0.00 0.00 176.54 178.53 3b8i h SER 50 N 0.72 0.67 -0.13 0.19 4.64 -1.94 -2.04 113.55 115.67 3b8i h SER 50 Ca 0.29 -0.28 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 3b8i h SER 50 Cb 0.23 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3b8i h SER 50 CO -0.09 0.96 -0.65 0.58 -0.87 0.00 0.00 176.83 176.76 3b8i h VAL 51 N 0.53 1.32 -0.56 0.95 2.07 -1.84 -2.48 116.25 116.25 3b8i h VAL 51 Ca 0.06 -1.90 0.09 0.00 0.82 0.00 0.00 66.70 65.76 3b8i h VAL 51 Cb 0.86 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 3b8i h VAL 51 CO 0.07 0.59 0.16 0.00 0.02 0.00 0.00 177.57 178.42 3b8i h ALA 52 N 0.51 0.68 -0.83 1.67 0.00 -1.25 -0.92 119.26 119.12 3b8i h ALA 52 Ca -0.05 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3b8i h ALA 52 Cb 1.29 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3b8i h ALA 52 CO 0.13 -0.25 0.55 1.03 0.00 0.00 0.00 179.25 180.71 3b8i h SER 53 N 0.32 0.89 0.03 0.00 0.87 -1.33 0.23 113.55 114.57 3b8i h SER 53 Ca 0.28 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3b8i h SER 53 Cb 0.37 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3b8i h SER 53 CO -0.32 0.62 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.51 3b8i h LEU 54 N 1.04 -0.03 -0.91 2.23 3.38 -0.93 -1.69 115.31 118.39 3b8i h LEU 54 Ca 0.33 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3b8i h LEU 54 Cb 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3b8i h LEU 54 CO -0.09 0.25 -0.14 1.56 0.09 0.00 0.00 178.44 180.11 3b8i h GLN 55 N -0.33 0.64 0.16 1.13 4.20 -0.58 -0.51 115.11 119.82 3b8i h GLN 55 Ca -0.00 -0.21 -0.34 0.00 0.06 0.00 0.00 58.65 58.16 3b8i h GLN 55 Cb 0.30 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3b8i h GLN 55 CO 0.01 0.76 -1.73 0.28 -0.67 0.00 0.00 178.83 177.47 3b8i h VAL 56 N 0.58 0.88 0.00 -0.54 2.07 -0.62 -3.42 116.25 115.21 3b8i h VAL 56 Ca 0.10 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3b8i h VAL 56 Cb 0.58 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3b8i h VAL 56 CO 0.04 0.83 -0.09 0.18 0.02 0.00 0.00 177.57 178.55 3b8i n LEU 57 N -3.65 0.00 -4.08 2.57 4.77 -0.67 -5.01 117.00 110.93 3b8i n LEU 57 Ca -0.27 -0.39 -0.31 0.00 -0.03 0.00 0.00 56.01 55.01 3b8i n LEU 57 Cb 1.03 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.10 3b8i n LEU 57 CO 0.47 0.00 -0.09 0.00 -1.33 0.00 0.00 177.39 176.45 3b8i n ALA 58 N -0.92 -1.55 -2.48 -1.18 0.00 -0.20 -4.98 120.51 109.21 3b8i n ALA 58 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 3b8i n ALA 58 Cb 0.00 -2.88 -0.11 0.00 0.00 0.00 0.00 19.45 16.47 3b8i n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8i s ALA 59 N -3.55 2.70 1.17 0.00 0.00 -0.99 -4.09 121.76 117.01 3b8i s ALA 59 Ca 0.45 -1.68 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 3b8i s ALA 59 Cb -0.24 -0.41 0.27 0.00 0.00 0.00 0.00 23.12 22.74 3b8i s ALA 59 CO 0.90 0.39 1.13 -2.14 0.00 0.00 0.00 175.76 176.03 3b8i s PRO 60 N -2.99 -0.98 -1.42 0.00 0.02 -1.26 -3.73 135.00 124.65 3b8i s PRO 60 Ca 0.25 -0.08 -0.10 0.00 0.02 0.00 0.00 61.00 61.08 3b8i s PRO 60 Cb -0.07 -1.63 0.07 0.00 0.02 0.00 0.00 34.50 32.89 3b8i s PRO 60 CO 0.13 -3.55 2.31 -3.47 -0.33 0.00 0.00 177.00 172.09 3b8i n ASP 61 N -4.64 6.09 -0.98 2.53 2.03 -1.26 -4.53 116.55 115.79 3b8i n ASP 61 Ca 0.13 -2.92 0.08 0.00 0.52 0.00 0.00 54.79 52.60 3b8i n ASP 61 Cb 0.59 -1.53 0.27 0.00 -0.72 0.00 0.00 41.12 39.74 3b8i n ASP 61 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3b8i n PHE 62 N 4.04 1.03 -3.62 -0.67 3.72 -1.26 -4.98 117.46 115.72 3b8i n PHE 62 Ca 0.56 -0.83 -0.22 0.00 -0.05 0.00 0.00 57.45 56.91 3b8i n PHE 62 Cb 0.32 -0.31 0.06 0.00 -0.94 0.00 0.00 39.48 38.61 3b8i n PHE 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3b8i n ALA 63 N -0.31 -1.76 0.01 4.37 0.00 -1.26 -4.75 120.51 116.81 3b8i n ALA 63 Ca 0.21 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.77 3b8i n ALA 63 Cb 0.89 -3.25 -0.12 0.00 0.00 0.00 0.00 19.45 16.97 3b8i n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3b8i n LEU 64 N -4.44 0.27 -4.78 0.00 4.77 -1.26 -4.92 117.00 106.64 3b8i n LEU 64 Ca -0.18 0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 3b8i n LEU 64 Cb 0.63 0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3b8i n LEU 64 CO 0.66 0.04 1.12 -0.63 -1.33 0.00 0.00 177.39 177.25 3b8i s ILE 65 N -3.29 2.11 0.52 -0.08 -1.09 -1.26 -5.03 121.20 113.08 3b8i s ILE 65 Ca -0.06 0.11 -0.05 0.00 -2.23 0.00 0.00 60.65 58.43 3b8i s ILE 65 Cb 0.11 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 3b8i s ILE 65 CO 0.86 0.03 0.81 0.42 -1.23 0.00 0.00 174.94 175.83 3b8i s THR 66 N -1.13 4.22 0.28 2.92 -4.23 -1.26 -4.94 115.64 111.50 3b8i s THR 66 Ca 0.53 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 3b8i s THR 66 Cb -0.46 -3.63 0.26 0.00 1.34 0.00 0.00 72.50 70.02 3b8i s THR 66 CO 0.62 -0.60 1.95 0.25 -0.54 0.00 0.00 174.62 176.30 3b8i h LEU 67 N 0.09 1.01 -0.81 4.79 5.85 -1.96 -2.03 115.31 122.26 3b8i h LEU 67 Ca -0.46 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 3b8i h LEU 67 Cb 1.23 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3b8i h LEU 67 CO 0.61 0.72 0.41 0.28 -0.34 0.00 0.00 178.44 180.12 3b8i h SER 68 N 1.19 1.04 -0.31 1.25 0.02 -1.98 -0.60 113.55 114.16 3b8i h SER 68 Ca 0.34 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3b8i h SER 68 Cb -0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 3b8i h SER 68 CO -0.08 0.87 0.13 -0.33 -1.14 0.00 0.00 176.83 176.28 3b8i h GLU 69 N 1.14 0.46 -0.47 3.45 5.08 -1.80 -0.52 114.58 121.93 3b8i h GLU 69 Ca 0.28 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3b8i h GLU 69 Cb 0.09 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3b8i h GLU 69 CO -0.04 0.46 0.23 0.35 -1.00 0.00 0.00 179.01 179.00 3b8i h PHE 70 N 0.36 0.41 -0.54 4.33 3.57 -1.14 -2.25 116.94 121.68 3b8i h PHE 70 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3b8i h PHE 70 Cb 0.16 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3b8i h PHE 70 CO -0.01 0.20 0.25 0.28 -2.23 0.00 0.00 178.31 176.80 3b8i h VAL 71 N 0.45 1.18 -0.34 1.41 2.07 -1.05 -2.13 116.25 117.83 3b8i h VAL 71 Ca 0.21 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3b8i h VAL 71 Cb 0.13 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3b8i h VAL 71 CO -0.16 0.22 0.21 -0.08 0.02 0.00 0.00 177.57 177.78 3b8i h GLU 72 N 0.76 0.46 -0.52 1.57 4.57 -0.71 0.50 114.58 121.21 3b8i h GLU 72 Ca 0.19 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.37 3b8i h GLU 72 Cb 0.09 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3b8i h GLU 72 CO -0.02 0.35 0.28 1.96 -1.18 0.00 0.00 179.01 180.39 3b8i h GLN 73 N 0.44 0.52 -0.38 1.92 1.08 -1.14 -0.35 115.11 117.20 3b8i h GLN 73 Ca 0.12 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.14 3b8i h GLN 73 Cb 0.01 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3b8i h GLN 73 CO -0.02 0.35 -0.35 0.00 -0.95 0.00 0.00 178.83 177.85 3b8i h ALA 74 N 1.27 0.66 -0.40 3.87 0.00 -1.13 -2.91 119.26 120.62 3b8i h ALA 74 Ca 0.23 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3b8i h ALA 74 Cb 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3b8i h ALA 74 CO -0.15 0.67 0.09 1.15 0.00 0.00 0.00 179.25 181.02 3b8i h THR 75 N 0.73 0.81 -0.93 0.00 2.02 0.26 0.64 112.91 116.43 3b8i h THR 75 Ca 0.07 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.24 3b8i h THR 75 Cb 0.93 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 3b8i h THR 75 CO 0.09 0.04 0.58 0.03 0.37 0.00 0.00 175.52 176.63 3b8i h ARG 76 N 0.23 1.01 -0.33 6.66 3.08 -0.97 -2.23 114.38 121.83 3b8i h ARG 76 Ca 0.19 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 3b8i h ARG 76 Cb 0.22 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3b8i h ARG 76 CO -0.24 0.67 -0.36 0.82 -1.07 0.00 0.00 179.97 179.79 3b8i h ILE 77 N 1.04 1.28 0.00 2.04 2.04 -1.26 -3.10 117.51 119.56 3b8i h ILE 77 Ca 0.41 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3b8i h ILE 77 Cb 0.22 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3b8i h ILE 77 CO -0.19 0.50 0.00 1.23 0.00 0.00 0.00 178.15 179.69 3b8i h GLY 78 N 0.94 0.00 2.00 5.37 0.00 -0.26 -1.52 103.07 109.59 3b8i h GLY 78 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 3b8i h GLY 78 CO 0.08 0.00 -0.45 3.21 0.00 0.00 0.00 176.54 179.38 3b8i h ARG 79 N 0.00 0.00 0.00 4.80 3.08 -1.43 -3.36 114.38 117.47 3b8i h ARG 79 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3b8i h ARG 79 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3b8i h ARG 79 CO 0.00 0.45 -1.18 1.33 -1.07 0.00 0.00 179.97 179.50 3b8i n VAL 80 N -3.65 0.09 -1.67 2.04 0.24 -0.89 -5.07 118.33 109.42 3b8i n VAL 80 Ca -0.01 -0.10 -0.48 0.00 -2.04 0.00 0.00 64.34 61.72 3b8i n VAL 80 Cb 0.54 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.71 3b8i n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b8i n ALA 81 N -1.83 0.97 0.56 2.33 0.00 -0.63 -4.88 120.51 117.04 3b8i n ALA 81 Ca -0.03 0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.87 3b8i n ALA 81 Cb 0.31 -2.40 0.09 0.00 0.00 0.00 0.00 19.45 17.45 3b8i n ALA 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b8i n ARG 82 N 4.87 1.51 -4.30 0.00 1.74 -1.26 -4.90 116.66 114.31 3b8i n ARG 82 Ca 0.20 -1.60 -0.25 0.00 -0.77 0.00 0.00 57.85 55.43 3b8i n ARG 82 Cb 0.28 -1.33 -0.13 0.00 -1.02 0.00 0.00 32.46 30.27 3b8i n ARG 82 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3b8i s LEU 83 N -1.33 2.31 0.34 0.55 2.34 -1.26 -4.98 118.68 116.64 3b8i s LEU 83 Ca 0.21 -0.70 -0.29 0.00 0.06 0.00 0.00 54.13 53.41 3b8i s LEU 83 Cb 0.14 -0.93 -0.11 0.00 -0.56 0.00 0.00 46.19 44.74 3b8i s LEU 83 CO 0.21 0.07 1.38 -2.16 -1.06 0.00 0.00 176.35 174.80 3b8i s PRO 84 N -1.97 4.26 -0.07 1.48 0.04 -1.26 -4.85 135.00 132.63 3b8i s PRO 84 Ca 0.08 2.35 0.05 0.00 0.04 0.00 0.00 61.00 63.52 3b8i s PRO 84 Cb -0.10 -3.04 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 3b8i s PRO 84 CO 0.05 -0.33 -0.21 0.08 0.04 0.00 0.00 177.00 176.62 3b8i s VAL 85 N -1.01 1.81 -0.11 -0.36 1.01 -1.26 -1.13 120.40 119.35 3b8i s VAL 85 Ca 0.51 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 3b8i s VAL 85 Cb -0.42 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3b8i s VAL 85 CO 0.55 0.51 0.33 -0.63 0.00 0.00 0.00 175.10 175.86 3b8i s ILE 86 N 0.12 5.24 -0.22 2.22 1.01 0.44 -1.41 121.20 128.59 3b8i s ILE 86 Ca -0.09 0.63 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 3b8i s ILE 86 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3b8i s ILE 86 CO 0.05 0.46 0.11 0.00 0.00 0.00 0.00 174.94 175.55 3b8i s ALA 87 N -0.11 3.42 -0.73 9.38 0.00 0.75 -0.37 121.76 134.11 3b8i s ALA 87 Ca 0.19 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 3b8i s ALA 87 Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.88 3b8i s ALA 87 CO 0.07 -0.16 1.27 0.34 0.00 0.00 0.00 175.76 177.28 3b8i s ASP 88 N 1.01 6.18 -0.31 0.00 2.15 -0.58 -0.96 116.67 124.16 3b8i s ASP 88 Ca 0.05 -0.42 0.08 0.00 0.43 0.00 0.00 52.55 52.69 3b8i s ASP 88 Cb -0.14 -2.56 0.66 0.00 -0.30 0.00 0.00 42.92 40.59 3b8i s ASP 88 CO 0.03 -1.81 1.73 0.00 -0.17 0.00 0.00 175.17 174.95 3b8i n ALA 89 N 9.30 4.55 -0.30 3.66 0.00 -1.01 -3.94 120.51 132.77 3b8i n ALA 89 Ca 0.03 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.30 3b8i n ALA 89 Cb 0.49 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3b8i n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3b8i n ASP 90 N -0.24 0.00 -0.49 0.00 9.92 -1.25 -0.23 116.55 124.25 3b8i n ASP 90 Ca 0.40 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.72 3b8i n ASP 90 Cb 1.34 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 42.01 3b8i n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3b8i n HIS 91 N 14.00 0.32 -0.89 1.24 1.44 -1.26 -1.06 115.22 129.02 3b8i n HIS 91 Ca 0.00 -0.16 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 3b8i n HIS 91 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3b8i n HIS 91 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3b8i n GLY 92 N 0.96 0.49 3.29 -1.39 0.00 0.67 -4.31 105.19 104.90 3b8i n GLY 92 Ca 0.11 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 3b8i n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3b8i n TYR 93 N -2.89 -2.43 0.00 1.61 4.01 -1.26 -3.04 117.16 113.16 3b8i n TYR 93 Ca 0.00 0.81 0.00 0.00 -0.16 0.00 0.00 57.90 58.55 3b8i n TYR 93 Cb 0.00 -4.61 0.00 0.00 -0.31 0.00 0.00 39.34 34.42 3b8i n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3b8i n GLY 94 N -1.78 0.42 0.00 2.72 0.00 -1.26 -4.85 105.19 100.44 3b8i n GLY 94 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3b8i n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b8i n ASN 95 N 0.00 0.00 -0.07 1.61 0.23 -1.26 -4.78 115.26 110.99 3b8i n ASN 95 Ca 0.00 -0.81 0.08 0.00 -0.53 0.00 0.00 54.58 53.32 3b8i n ASN 95 Cb 0.00 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.14 3b8i n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3b8i h ALA 96 N -0.56 1.84 0.01 -2.53 0.00 -1.93 0.15 119.26 116.24 3b8i h ALA 96 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3b8i h ALA 96 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3b8i h ALA 96 CO 0.00 0.07 -0.94 -0.07 0.00 0.00 0.00 179.25 178.31 3b8i h LEU 97 N 0.53 0.41 -1.16 0.00 3.38 -1.95 -2.86 115.31 113.66 3b8i h LEU 97 Ca 0.24 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3b8i h LEU 97 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3b8i h LEU 97 CO -0.07 1.15 -0.23 0.78 0.09 0.00 0.00 178.44 180.16 3b8i h ASN 98 N 0.17 0.29 -0.49 -0.43 4.21 -1.75 -3.10 115.58 114.48 3b8i h ASN 98 Ca -0.07 -0.09 0.03 0.00 1.21 0.00 0.00 56.30 57.39 3b8i h ASN 98 Cb 1.58 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 38.66 3b8i h ASN 98 CO 0.15 0.54 0.27 0.58 -1.29 0.00 0.00 177.43 177.68 3b8i h VAL 99 N 0.27 1.00 -0.83 2.81 2.07 -0.86 -1.74 116.25 118.97 3b8i h VAL 99 Ca 0.04 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3b8i h VAL 99 Cb 0.57 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 3b8i h VAL 99 CO 0.04 0.10 0.46 0.24 0.02 0.00 0.00 177.57 178.43 3b8i h MET 100 N 0.53 0.71 -0.47 1.57 2.86 -1.43 -1.84 114.93 116.85 3b8i h MET 100 Ca 0.20 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3b8i h MET 100 Cb 0.07 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3b8i h MET 100 CO -0.12 0.47 0.20 0.00 1.06 0.00 0.00 176.91 178.52 3b8i h ARG 101 N 0.73 0.69 -0.40 1.72 3.08 -1.51 -1.48 114.38 117.20 3b8i h ARG 101 Ca 0.42 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.42 3b8i h ARG 101 Cb 0.47 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 3b8i h ARG 101 CO -0.29 0.61 0.03 1.15 -1.07 0.00 0.00 179.97 180.41 3b8i h THR 102 N 0.61 0.73 0.01 2.04 2.02 -0.61 0.20 112.91 117.92 3b8i h THR 102 Ca 0.16 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3b8i h THR 102 Cb 0.17 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3b8i h THR 102 CO -0.02 0.03 -0.00 0.58 0.37 0.00 0.00 175.52 176.48 3b8i h VAL 103 N 0.15 1.06 0.27 3.16 2.07 -1.16 -1.41 116.25 120.39 3b8i h VAL 103 Ca 0.20 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3b8i h VAL 103 Cb 0.27 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3b8i h VAL 103 CO -0.30 0.06 -0.22 0.58 0.02 0.00 0.00 177.57 177.71 3b8i h VAL 104 N -0.10 0.54 -0.42 2.57 2.07 -1.06 0.67 116.25 120.53 3b8i h VAL 104 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3b8i h VAL 104 Cb 0.10 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 3b8i h VAL 104 CO 0.00 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.25 3b8i h GLU 105 N -0.50 0.10 0.01 1.57 4.39 -0.89 -1.00 114.58 118.25 3b8i h GLU 105 Ca -0.02 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.44 3b8i h GLU 105 Cb 0.44 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3b8i h GLU 105 CO -0.01 0.06 -0.98 -0.07 -1.16 0.00 0.00 179.01 176.85 3b8i h LEU 106 N 0.10 0.60 -0.57 1.33 3.38 -1.15 -0.04 115.31 118.96 3b8i h LEU 106 Ca 0.21 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3b8i h LEU 106 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3b8i h LEU 106 CO -0.35 1.30 0.18 -0.08 0.09 0.00 0.00 178.44 179.58 3b8i h GLU 107 N 0.25 0.88 -0.38 1.13 4.81 -0.80 -2.21 114.58 118.26 3b8i h GLU 107 Ca -0.09 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3b8i h GLU 107 Cb 1.63 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 3b8i h GLU 107 CO 0.17 0.79 0.15 -0.09 -0.73 0.00 0.00 179.01 179.30 3b8i h ARG 108 N 0.80 0.58 -0.13 1.92 2.43 -1.08 -2.53 114.38 116.37 3b8i h ARG 108 Ca 0.18 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3b8i h ARG 108 Cb 0.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3b8i h ARG 108 CO -0.01 0.56 0.17 0.00 -1.51 0.00 0.00 179.97 179.18 3b8i h ALA 109 N 0.99 1.66 0.00 2.80 0.00 -0.79 -3.45 119.26 120.47 3b8i h ALA 109 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3b8i h ALA 109 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3b8i h ALA 109 CO -0.01 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.41 3b8i n GLY 110 N -1.35 1.59 3.75 0.00 0.00 -0.87 -4.27 105.19 104.04 3b8i n GLY 110 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3b8i n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b8i s ILE 111 N -2.00 2.04 -0.05 -0.61 -1.09 -0.95 -4.87 121.20 113.67 3b8i s ILE 111 Ca 0.00 0.03 0.13 0.00 -2.23 0.00 0.00 60.65 58.58 3b8i s ILE 111 Cb 0.00 -3.01 -0.18 0.00 -1.58 0.00 0.00 42.46 37.68 3b8i s ILE 111 CO 0.00 0.00 0.84 0.00 -1.23 0.00 0.00 174.94 174.55 3b8i h ALA 112 N 1.51 0.68 -1.94 9.38 0.00 -1.57 -3.45 119.26 123.87 3b8i h ALA 112 Ca -0.51 -1.15 -0.04 0.00 0.00 0.00 0.00 54.91 53.21 3b8i h ALA 112 Cb 1.30 0.31 -0.20 0.00 0.00 0.00 0.00 17.79 19.20 3b8i h ALA 112 CO 0.57 1.29 0.24 0.00 0.00 0.00 0.00 179.25 181.35 3b8i s ALA 113 N -2.73 -1.79 0.10 0.00 0.00 -1.20 -2.06 121.76 114.07 3b8i s ALA 113 Ca -0.03 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.37 3b8i s ALA 113 Cb 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3b8i s ALA 113 CO 0.82 -0.36 -0.08 -0.48 0.00 0.00 0.00 175.76 175.66 3b8i s LEU 114 N -1.06 2.45 -0.08 0.00 0.05 -0.77 -0.17 118.68 119.10 3b8i s LEU 114 Ca -0.09 -0.90 0.01 0.00 0.05 0.00 0.00 54.13 53.20 3b8i s LEU 114 Cb -0.00 -0.18 -0.03 0.00 -2.05 0.00 0.00 46.19 43.93 3b8i s LEU 114 CO 0.08 -0.36 -0.08 0.42 -0.55 0.00 0.00 176.35 175.86 3b8i s THR 115 N -3.00 3.61 -0.22 5.48 -4.23 -0.13 -1.40 115.64 115.75 3b8i s THR 115 Ca 0.08 -0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 60.07 3b8i s THR 115 Cb 0.01 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.38 3b8i s THR 115 CO -0.02 0.58 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.91 3b8i s ILE 116 N -0.63 2.73 0.42 2.99 -1.09 0.09 -2.39 121.20 123.32 3b8i s ILE 116 Ca 0.10 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 3b8i s ILE 116 Cb -0.11 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.45 3b8i s ILE 116 CO 0.02 0.35 0.66 -1.83 -1.23 0.00 0.00 174.94 172.90 3b8i s GLU 117 N 1.34 3.28 0.00 2.79 -1.05 -0.22 -0.53 118.70 124.31 3b8i s GLU 117 Ca 0.03 -0.31 0.22 0.00 -0.15 0.00 0.00 54.97 54.76 3b8i s GLU 117 Cb -0.15 -2.55 0.52 0.00 -0.44 0.00 0.00 34.13 31.51 3b8i s GLU 117 CO -0.07 -0.13 1.45 -0.40 0.95 0.00 0.00 175.26 177.06 3b8i n ASP 118 N -2.03 3.21 -4.70 0.83 5.68 -1.06 -4.41 116.55 114.06 3b8i n ASP 118 Ca -0.01 -1.96 -0.40 0.00 -0.50 0.00 0.00 54.79 51.93 3b8i n ASP 118 Cb 0.57 -0.29 0.03 0.00 -1.14 0.00 0.00 41.12 40.28 3b8i n ASP 118 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3b8i n THR 119 N 1.29 3.08 -2.82 2.12 -1.04 -1.26 -1.40 114.28 114.25 3b8i n THR 119 Ca 0.20 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.28 3b8i n THR 119 Cb 0.55 -1.55 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 3b8i n THR 119 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3b8i s LEU 120 N -2.28 4.02 0.03 -4.42 0.20 -0.03 -4.64 118.68 111.56 3b8i s LEU 120 Ca 0.66 0.63 0.02 0.00 0.69 0.00 0.00 54.13 56.13 3b8i s LEU 120 Cb -0.47 -3.24 -0.02 0.00 -0.43 0.00 0.00 46.19 42.03 3b8i s LEU 120 CO 0.54 -0.81 -0.07 -0.76 -0.29 0.00 0.00 176.35 174.97 3b8i s LEU 121 N 3.37 2.18 1.04 -0.68 1.43 -1.26 -4.40 118.68 120.35 3b8i s LEU 121 Ca 0.37 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 3b8i s LEU 121 Cb -0.12 -0.17 0.21 0.00 0.03 0.00 0.00 46.19 46.14 3b8i s LEU 121 CO 0.17 -0.14 1.18 -2.16 0.23 0.00 0.00 176.35 175.63 3b8i s PRO 122 N -1.15 0.11 -0.29 1.29 0.04 -1.26 -4.85 135.00 128.89 3b8i s PRO 122 Ca -0.07 -0.03 -0.41 0.00 0.04 0.00 0.00 61.00 60.52 3b8i s PRO 122 Cb -0.08 -1.75 -0.19 0.00 0.04 0.00 0.00 34.50 32.53 3b8i s PRO 122 CO 0.00 -2.83 1.29 0.00 0.04 0.00 0.00 177.00 175.50 3b8i n ALA 123 N -4.14 -2.09 -1.78 8.56 0.00 -1.26 -4.94 120.51 114.86 3b8i n ALA 123 Ca 0.11 0.50 -0.36 0.00 0.00 0.00 0.00 53.44 53.69 3b8i n ALA 123 Cb 0.59 -1.72 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 3b8i n ALA 123 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3b8i s GLN 124 N 1.72 4.24 0.32 0.00 -0.21 -1.26 -5.04 119.66 119.43 3b8i s GLN 124 Ca 0.92 1.45 -0.29 0.00 0.02 0.00 0.00 55.36 57.46 3b8i s GLN 124 Cb -1.31 -2.55 -0.11 0.00 1.00 0.00 0.00 33.01 30.04 3b8i s GLN 124 CO 0.67 -0.06 1.47 0.12 -2.12 0.00 0.00 175.29 175.37 3b8i s PHE 125 N -1.70 2.80 0.00 0.91 5.36 -1.26 -2.93 117.98 121.16 3b8i s PHE 125 Ca 0.57 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 3b8i s PHE 125 Cb -0.20 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 3b8i s PHE 125 CO 0.26 -2.87 0.00 0.41 -1.46 0.00 0.00 175.22 171.55 3b8i n GLY 126 N 1.31 0.21 3.03 13.12 0.00 -0.82 -4.97 105.19 117.07 3b8i n GLY 126 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3b8i n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8i s ARG 127 N -1.16 1.55 0.45 1.61 0.52 -1.15 -4.97 118.95 115.79 3b8i s ARG 127 Ca 0.00 -1.89 0.31 0.00 -0.52 0.00 0.00 55.73 53.63 3b8i s ARG 127 Cb 0.00 -3.25 1.53 0.00 0.52 0.00 0.00 34.95 33.74 3b8i s ARG 127 CO 0.00 -0.96 1.93 0.87 0.02 0.00 0.00 175.30 177.16 3b8i h LYS 128 N 7.64 0.00 -6.54 3.54 1.57 -1.93 -3.43 116.57 117.41 3b8i h LYS 128 Ca -0.05 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.30 3b8i h LYS 128 Cb 1.02 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.36 3b8i h LYS 128 CO 0.54 0.00 -0.20 -1.54 -0.57 0.00 0.00 179.45 177.68 3b8i s SER 129 N -4.67 5.57 -0.35 0.86 1.04 -1.26 -5.10 113.70 109.80 3b8i s SER 129 Ca -0.01 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 3b8i s SER 129 Cb 0.09 -0.76 -0.01 0.00 0.10 0.00 0.00 66.02 65.45 3b8i s SER 129 CO 0.36 -0.85 0.23 -0.89 0.98 0.00 0.00 173.24 173.07 3b8i s THR 130 N -2.46 5.10 0.24 2.02 2.01 -1.26 -4.91 115.64 116.39 3b8i s THR 130 Ca 0.55 -0.36 0.10 0.00 0.31 0.00 0.00 61.69 62.29 3b8i s THR 130 Cb -0.10 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3b8i s THR 130 CO 0.34 -0.05 -0.06 -1.81 -0.69 0.00 0.00 174.62 172.36 3b8i s ASP 131 N 1.68 4.32 0.06 3.53 1.01 -1.26 -5.01 116.67 121.00 3b8i s ASP 131 Ca 0.05 -0.68 0.01 0.00 0.71 0.00 0.00 52.55 52.64 3b8i s ASP 131 Cb -0.18 -0.73 -0.04 0.00 1.01 0.00 0.00 42.92 42.98 3b8i s ASP 131 CO 0.09 0.04 0.14 -0.76 0.21 0.00 0.00 175.17 174.89 3b8i s LEU 132 N -3.41 4.08 0.69 1.23 1.43 -1.26 -0.85 118.68 120.58 3b8i s LEU 132 Ca 0.29 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 3b8i s LEU 132 Cb -0.07 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.49 3b8i s LEU 132 CO 0.18 0.18 1.10 0.27 0.23 0.00 0.00 176.35 178.32 3b8i s ILE 133 N -1.42 3.27 0.71 -0.59 -4.36 -0.49 -4.75 121.20 113.57 3b8i s ILE 133 Ca 0.31 0.54 -0.16 0.00 -0.26 0.00 0.00 60.65 61.08 3b8i s ILE 133 Cb -0.13 -3.05 0.03 0.00 1.25 0.00 0.00 42.46 40.56 3b8i s ILE 133 CO 0.24 -0.42 1.25 0.00 0.24 0.00 0.00 174.94 176.25 3b8i h VAL 135 N -0.04 0.97 -0.41 0.00 3.04 -1.98 -0.05 116.25 117.78 3b8i h VAL 135 Ca -0.49 -0.06 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 3b8i h VAL 135 Cb 1.32 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 3b8i h VAL 135 CO 0.50 0.03 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.77 3b8i h GLU 136 N 0.18 0.72 -0.31 4.17 3.07 -1.99 0.58 114.58 121.01 3b8i h GLU 136 Ca 0.11 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 3b8i h GLU 136 Cb 0.22 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3b8i h GLU 136 CO -0.02 0.81 -0.00 1.49 -1.40 0.00 0.00 179.01 179.89 3b8i h GLU 137 N 0.55 0.55 -0.72 2.33 4.81 -1.69 -1.82 114.58 118.59 3b8i h GLU 137 Ca 0.12 -0.18 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 3b8i h GLU 137 Cb 0.48 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.73 3b8i h GLU 137 CO 0.02 0.69 0.32 0.78 -0.73 0.00 0.00 179.01 180.09 3b8i h GLY 138 N 0.34 1.08 1.12 1.92 0.00 -0.89 -1.31 103.07 105.33 3b8i h GLY 138 Ca 0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 3b8i h GLY 138 CO 0.02 -0.02 -0.06 -2.08 0.00 0.00 0.00 176.54 174.39 3b8i h VAL 139 N 0.51 1.27 -0.51 4.60 2.07 -0.77 -2.23 116.25 121.18 3b8i h VAL 139 Ca 0.38 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 3b8i h VAL 139 Cb 0.49 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3b8i h VAL 139 CO -0.34 0.43 0.11 1.23 0.02 0.00 0.00 177.57 179.03 3b8i h GLY 140 N 0.96 0.84 0.84 2.17 0.00 -0.68 -1.37 103.07 105.84 3b8i h GLY 140 Ca 0.15 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 3b8i h GLY 140 CO 0.04 0.45 -0.35 0.50 0.00 0.00 0.00 176.54 177.18 3b8i h LYS 141 N 0.75 0.50 -0.91 4.80 1.57 -1.10 -0.78 116.57 121.40 3b8i h LYS 141 Ca 0.17 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3b8i h LYS 141 Cb 0.29 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3b8i h LYS 141 CO -0.00 0.95 0.60 0.82 -0.57 0.00 0.00 179.45 181.25 3b8i h ILE 142 N 0.13 1.23 -0.36 1.86 1.08 -1.35 -0.74 117.51 119.36 3b8i h ILE 142 Ca -0.00 -0.42 -0.14 0.00 -0.39 0.00 0.00 64.86 63.91 3b8i h ILE 142 Cb 0.96 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 3b8i h ILE 142 CO 0.08 0.22 -0.32 0.03 -0.69 0.00 0.00 178.15 177.47 3b8i h ARG 143 N 1.23 0.85 -0.30 2.37 3.08 -1.22 -1.78 114.38 118.61 3b8i h ARG 143 Ca 0.34 -0.44 0.06 0.00 0.07 0.00 0.00 59.98 60.01 3b8i h ARG 143 Cb -0.13 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 3b8i h ARG 143 CO -0.08 1.08 -0.06 0.00 -1.07 0.00 0.00 179.97 179.84 3b8i h ALA 144 N 0.76 0.21 -0.71 0.04 0.00 -0.95 -1.40 119.26 117.21 3b8i h ALA 144 Ca 0.06 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3b8i h ALA 144 Cb 0.90 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3b8i h ALA 144 CO 0.08 -0.45 0.44 0.00 0.00 0.00 0.00 179.25 179.32 3b8i h ALA 145 N 1.29 0.93 -0.25 0.00 0.00 -0.99 -1.06 119.26 119.18 3b8i h ALA 145 Ca 0.15 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3b8i h ALA 145 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3b8i h ALA 145 CO -0.30 0.20 -0.38 -0.07 0.00 0.00 0.00 179.25 178.71 3b8i h LEU 146 N 0.85 0.60 -0.62 0.00 3.38 -1.11 -2.48 115.31 115.93 3b8i h LEU 146 Ca 0.29 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3b8i h LEU 146 Cb 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3b8i h LEU 146 CO -0.12 0.92 0.23 -0.08 0.09 0.00 0.00 178.44 179.49 3b8i h GLU 147 N 0.48 0.94 0.00 1.13 4.57 -0.83 -3.22 114.58 117.65 3b8i h GLU 147 Ca 0.05 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3b8i h GLU 147 Cb 0.88 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3b8i h GLU 147 CO 0.08 0.81 0.00 0.00 -1.18 0.00 0.00 179.01 178.71 3b8i h ALA 148 N 1.09 1.00 -2.70 2.92 0.00 -0.78 -3.45 119.26 117.35 3b8i h ALA 148 Ca 0.21 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.59 3b8i h ALA 148 Cb 0.23 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.07 3b8i h ALA 148 CO -0.01 0.00 0.84 0.50 0.00 0.00 0.00 179.25 180.57 3b8i s ARG 149 N -3.58 4.22 -0.15 0.00 3.52 -0.97 -4.58 118.95 117.40 3b8i s ARG 149 Ca 0.02 2.38 -0.13 0.00 -0.13 0.00 0.00 55.73 57.87 3b8i s ARG 149 Cb 0.08 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 3b8i s ARG 149 CO 0.55 -0.54 -0.25 0.28 -0.81 0.00 0.00 175.30 174.53 3b8i n VAL 150 N 3.02 1.41 -2.43 7.11 0.31 -1.26 -4.87 118.33 121.61 3b8i n VAL 150 Ca 0.10 0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 64.20 3b8i n VAL 150 Cb 0.39 -2.35 -0.02 0.00 -0.91 0.00 0.00 33.84 30.95 3b8i n VAL 150 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3b8i s ASP 151 N -5.74 6.66 0.28 4.52 -1.08 -1.26 -4.90 116.67 115.14 3b8i s ASP 151 Ca -0.21 1.14 0.23 0.00 -0.52 0.00 0.00 52.55 53.19 3b8i s ASP 151 Cb 0.03 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 40.00 3b8i s ASP 151 CO 0.30 -1.10 1.69 -0.81 0.52 0.00 0.00 175.17 175.77 3b8i n PRO 152 N 7.37 0.17 0.25 4.34 -0.04 -1.26 -2.19 135.00 143.64 3b8i n PRO 152 Ca 0.15 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.26 3b8i n PRO 152 Cb 0.47 -1.91 0.46 0.00 -0.04 0.00 0.00 33.50 32.48 3b8i n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b8i h ALA 153 N 2.15 0.99 -2.46 0.55 0.00 -1.95 -3.44 119.26 115.10 3b8i h ALA 153 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 3b8i h ALA 153 Cb 0.21 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.05 3b8i h ALA 153 CO 0.00 0.05 0.99 -0.11 0.00 0.00 0.00 179.25 180.19 3b8i n LEU 154 N -3.13 3.75 -4.60 0.00 7.94 -0.93 -4.73 117.00 115.29 3b8i n LEU 154 Ca 0.02 1.04 -0.39 0.00 -1.11 0.00 0.00 56.01 55.56 3b8i n LEU 154 Cb 0.41 -1.51 -0.09 0.00 0.53 0.00 0.00 43.42 42.76 3b8i n LEU 154 CO 0.31 0.05 0.12 -0.89 -1.11 0.00 0.00 177.39 175.86 3b8i s THR 155 N 1.78 5.14 -0.21 1.96 2.01 -0.87 -4.99 115.64 120.45 3b8i s THR 155 Ca 0.79 0.62 -0.13 0.00 0.31 0.00 0.00 61.69 63.28 3b8i s THR 155 Cb -0.55 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 3b8i s THR 155 CO 0.36 0.11 0.27 -0.63 -0.69 0.00 0.00 174.62 174.05 3b8i s ILE 156 N 2.15 5.29 -0.17 1.82 -1.09 -1.26 -1.85 121.20 126.09 3b8i s ILE 156 Ca 0.17 0.44 0.01 0.00 -2.23 0.00 0.00 60.65 59.04 3b8i s ILE 156 Cb -0.16 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 3b8i s ILE 156 CO 0.10 0.32 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.30 3b8i s ILE 157 N 1.04 2.14 -0.14 2.92 1.01 -0.50 -0.72 121.20 126.96 3b8i s ILE 157 Ca 0.13 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 3b8i s ILE 157 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 3b8i s ILE 157 CO 0.05 0.54 0.96 0.00 0.00 0.00 0.00 174.94 176.49 3b8i s ALA 158 N 1.11 3.48 -0.03 9.38 0.00 -0.94 -0.73 121.76 134.03 3b8i s ALA 158 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.24 3b8i s ALA 158 Cb -0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3b8i s ALA 158 CO -0.08 -0.68 -0.07 0.50 0.00 0.00 0.00 175.76 175.42 3b8i s ARG 159 N 2.22 2.62 0.16 0.00 3.52 0.31 -1.07 118.95 126.71 3b8i s ARG 159 Ca 0.45 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 55.38 3b8i s ARG 159 Cb -0.17 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 3b8i s ARG 159 CO 0.14 0.63 0.09 -0.08 -0.81 0.00 0.00 175.30 175.27 3b8i s THR 160 N -0.91 0.06 -0.50 4.11 -1.32 -0.75 -2.57 115.64 113.76 3b8i s THR 160 Ca 0.15 -1.95 -0.07 0.00 -1.21 0.00 0.00 61.69 58.61 3b8i s THR 160 Cb -0.11 -2.23 0.13 0.00 -1.51 0.00 0.00 72.50 68.78 3b8i s THR 160 CO 0.05 -0.27 0.36 0.21 -2.21 0.00 0.00 174.62 172.75 3b8i s ASN 161 N -3.09 5.61 0.03 8.08 3.84 -1.26 -2.10 114.94 126.04 3b8i s ASN 161 Ca 0.30 -2.12 0.04 0.00 0.21 0.00 0.00 52.86 51.29 3b8i s ASN 161 Cb 0.07 -1.96 0.19 0.00 -0.55 0.00 0.00 41.25 39.00 3b8i s ASN 161 CO 0.06 -0.61 1.12 0.00 -2.79 0.00 0.00 177.10 174.88 3b8i n ALA 162 N 4.59 1.10 -0.03 1.71 0.00 0.15 -2.60 120.51 125.43 3b8i n ALA 162 Ca -0.03 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.46 3b8i n ALA 162 Cb 0.41 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 3b8i n ALA 162 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3b8i n GLU 163 N -1.57 0.74 -0.08 0.00 2.13 -1.26 -4.31 120.64 116.30 3b8i n GLU 163 Ca 0.00 -0.13 -0.12 0.00 0.66 0.00 0.00 57.16 57.57 3b8i n GLU 163 Cb 0.03 -1.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.24 3b8i n GLU 163 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3b8i h LEU 164 N 0.00 0.54-10.07 4.31 7.12 -1.86 -3.47 115.31 111.87 3b8i h LEU 164 Ca -0.14 -0.43 -0.63 0.00 0.13 0.00 0.00 57.88 56.81 3b8i h LEU 164 Cb 1.22 -0.15 -0.10 0.00 -0.53 0.00 0.00 40.66 41.10 3b8i h LEU 164 CO 0.01 0.85 -0.46 0.27 -0.13 0.00 0.00 178.44 178.98 3b8i s ILE 165 N -4.51 1.56 0.33 4.05 -4.36 -1.25 -5.14 121.20 111.90 3b8i s ILE 165 Ca -0.13 -1.80 -0.06 0.00 -0.26 0.00 0.00 60.65 58.39 3b8i s ILE 165 Cb 0.07 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 3b8i s ILE 165 CO 0.78 0.00 0.63 1.51 0.24 0.00 0.00 174.94 178.10 3b8i s ASP 166 N -3.99 6.45 0.53 4.36 1.47 -1.26 -4.88 116.67 119.35 3b8i s ASP 166 Ca 0.22 0.84 0.20 0.00 1.18 0.00 0.00 52.55 54.99 3b8i s ASP 166 Cb 0.02 -2.20 1.33 0.00 -0.34 0.00 0.00 42.92 41.73 3b8i s ASP 166 CO 0.13 -0.28 2.08 1.62 0.68 0.00 0.00 175.17 179.40 3b8i h VAL 167 N 1.20 0.87 0.00 2.11 3.04 -2.00 0.10 116.25 121.58 3b8i h VAL 167 Ca -0.48 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.12 3b8i h VAL 167 Cb 1.19 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 3b8i h VAL 167 CO 0.65 0.00 -0.46 0.44 -1.01 0.00 0.00 177.57 177.19 3b8i h ASP 168 N 0.00 0.00 -0.06 3.17 5.19 -1.99 -1.46 116.42 121.27 3b8i h ASP 168 Ca 0.11 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.41 3b8i h ASP 168 Cb 0.45 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.96 3b8i h ASP 168 CO -0.00 0.46 -0.40 0.00 -3.12 0.00 0.00 179.24 176.18 3b8i h ALA 169 N 1.54 0.13 -0.58 3.45 0.00 -1.22 -2.48 119.26 120.10 3b8i h ALA 169 Ca -0.00 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.50 3b8i h ALA 169 Cb 1.11 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3b8i h ALA 169 CO 0.06 0.25 0.25 0.28 0.00 0.00 0.00 179.25 180.09 3b8i h VAL 170 N -0.10 0.85 -0.44 0.00 2.07 -1.32 0.56 116.25 117.86 3b8i h VAL 170 Ca -0.03 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3b8i h VAL 170 Cb 1.07 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3b8i h VAL 170 CO 0.08 0.08 0.25 0.40 0.02 0.00 0.00 177.57 178.41 3b8i h ILE 171 N 0.46 1.02 0.18 4.57 2.04 -1.31 -0.25 117.51 124.24 3b8i h ILE 171 Ca 0.28 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3b8i h ILE 171 Cb 0.28 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3b8i h ILE 171 CO -0.25 0.09 -0.37 -0.61 0.00 0.00 0.00 178.15 177.02 3b8i h GLN 172 N 0.51 -0.62 0.57 2.37 4.15 -0.90 0.28 115.11 121.46 3b8i h GLN 172 Ca 0.18 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 3b8i h GLN 172 Cb 0.04 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3b8i h GLN 172 CO -0.10 -0.41 -0.39 0.00 -1.93 0.00 0.00 178.83 176.00 3b8i h ARG 173 N -0.64 -0.89 -0.78 1.69 3.08 -0.70 -1.20 114.38 114.94 3b8i h ARG 173 Ca 0.01 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.22 3b8i h ARG 173 Cb 0.65 0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.82 3b8i h ARG 173 CO -0.18 -0.59 0.42 1.79 -1.07 0.00 0.00 179.97 180.33 3b8i h THR 174 N -0.93 0.86 -0.50 2.04 1.35 -1.00 0.15 112.91 114.88 3b8i h THR 174 Ca -0.07 -0.24 -0.03 0.00 -0.55 0.00 0.00 66.41 65.53 3b8i h THR 174 Cb 0.77 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 3b8i h THR 174 CO 0.04 0.13 0.19 -0.07 -0.25 0.00 0.00 175.52 175.55 3b8i h LEU 175 N 0.69 0.69 -0.70 3.87 3.38 -0.86 0.64 115.31 123.01 3b8i h LEU 175 Ca 0.39 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3b8i h LEU 175 Cb 0.40 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3b8i h LEU 175 CO -0.27 0.68 0.43 0.00 0.09 0.00 0.00 178.44 179.36 3b8i h ALA 176 N 1.04 0.93 -0.24 1.53 0.00 -0.42 0.40 119.26 122.50 3b8i h ALA 176 Ca 0.17 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3b8i h ALA 176 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3b8i h ALA 176 CO -0.01 0.17 -0.51 1.88 0.00 0.00 0.00 179.25 180.77 3b8i h TYR 177 N 0.81 0.84 -0.21 0.00 0.99 -0.56 0.15 116.97 119.00 3b8i h TYR 177 Ca 0.29 -0.29 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 3b8i h TYR 177 Cb 0.09 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 3b8i h TYR 177 CO -0.05 1.05 0.12 0.37 -0.00 0.00 0.00 178.16 179.65 3b8i h GLN 178 N 0.53 0.28 -0.80 4.88 4.15 -0.55 -2.32 115.11 121.28 3b8i h GLN 178 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3b8i h GLN 178 Cb 1.07 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 3b8i h GLN 178 CO 0.10 0.23 0.50 1.49 -1.93 0.00 0.00 178.83 179.23 3b8i h GLU 179 N 0.25 1.06 0.00 1.69 4.57 0.03 -2.28 114.58 119.90 3b8i h GLU 179 Ca 0.07 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3b8i h GLU 179 Cb 0.02 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.38 3b8i h GLU 179 CO -0.01 0.73 -0.01 0.00 -1.18 0.00 0.00 179.01 178.53 3b8i h ALA 180 N 1.47 1.07 0.00 2.92 0.00 -0.30 -3.46 119.26 120.96 3b8i h ALA 180 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3b8i h ALA 180 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3b8i h ALA 180 CO -0.06 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3b8i n GLY 181 N -0.90 1.05 3.58 0.00 0.00 -0.86 -4.72 105.19 103.34 3b8i n GLY 181 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3b8i n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8i n ALA 182 N -0.30 -0.23 0.30 4.61 0.00 -0.91 -4.88 120.51 119.10 3b8i n ALA 182 Ca 0.00 0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.83 3b8i n ALA 182 Cb 0.00 -2.01 0.17 0.00 0.00 0.00 0.00 19.45 17.61 3b8i n ALA 182 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3b8i h ASP 183 N 1.55 0.00 -5.21 0.00 3.32 -1.27 -3.46 116.42 111.36 3b8i h ASP 183 Ca -0.42 -0.02 0.18 0.00 0.02 0.00 0.00 57.03 56.79 3b8i h ASP 183 Cb 1.35 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.80 3b8i h ASP 183 CO 0.57 0.01 0.54 -0.83 -1.72 0.00 0.00 179.24 177.81 3b8i s GLY 184 N -4.08 -0.31 -0.04 2.75 0.00 -1.19 -3.97 107.32 100.48 3b8i s GLY 184 Ca 0.06 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.26 3b8i s GLY 184 CO 0.69 0.10 -0.21 -0.42 0.00 0.00 0.00 173.10 173.26 3b8i s ILE 185 N -3.12 1.72 -0.07 0.90 -1.09 -0.79 -2.22 121.20 116.52 3b8i s ILE 185 Ca 0.11 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.67 3b8i s ILE 185 Cb -0.01 -1.46 -0.02 0.00 -1.58 0.00 0.00 42.46 39.40 3b8i s ILE 185 CO -0.01 0.49 -0.16 0.00 -1.23 0.00 0.00 174.94 174.03 3b8i s LEU 187 N -0.33 1.63 -0.13 0.00 1.43 0.44 -1.81 118.68 119.92 3b8i s LEU 187 Ca 0.03 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3b8i s LEU 187 Cb -0.13 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 3b8i s LEU 187 CO 0.02 -0.01 -0.04 -0.69 0.23 0.00 0.00 176.35 175.86 3b8i s VAL 188 N 1.14 3.90 0.00 -1.59 1.01 -0.89 -1.75 120.40 122.21 3b8i s VAL 188 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3b8i s VAL 188 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3b8i s VAL 188 CO -0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3b8i n GLY 189 N 3.05 0.51 3.68 4.51 0.00 -1.26 0.30 105.19 115.98 3b8i n GLY 189 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 3b8i n GLY 189 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3b8i n VAL 190 N -2.00 0.20 -0.04 1.61 0.31 -1.26 -4.21 118.33 112.95 3b8i n VAL 190 Ca 0.00 -0.05 -0.21 0.00 -0.01 0.00 0.00 64.34 64.07 3b8i n VAL 190 Cb 0.00 -1.64 -0.13 0.00 -0.91 0.00 0.00 33.84 31.16 3b8i n VAL 190 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3b8i h ARG 191 N 5.76 0.15 0.00 5.55 3.08 -1.94 -3.50 114.38 123.47 3b8i h ARG 191 Ca -0.45 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.35 3b8i h ARG 191 Cb 1.25 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3b8i h ARG 191 CO 0.88 1.12 0.02 -0.40 -1.07 0.00 0.00 179.97 180.51 3b8i n ASP 192 N -4.09 -0.13 0.17 7.04 5.68 -1.26 -4.72 116.55 119.23 3b8i n ASP 192 Ca -0.27 -1.09 0.02 0.00 -0.50 0.00 0.00 54.79 52.95 3b8i n ASP 192 Cb 0.81 0.22 0.30 0.00 -1.14 0.00 0.00 41.12 41.31 3b8i n ASP 192 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 3b8i h PHE 193 N 1.06 0.00 -0.24 2.11 0.04 -1.98 -0.68 116.94 117.25 3b8i h PHE 193 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3b8i h PHE 193 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3b8i h PHE 193 CO 0.00 0.46 0.03 0.00 -0.60 0.00 0.00 178.31 178.20 3b8i h ALA 194 N 1.54 0.32 -0.38 2.45 0.00 -1.96 -1.74 119.26 119.49 3b8i h ALA 194 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3b8i h ALA 194 Cb 0.84 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3b8i h ALA 194 CO 0.06 0.02 0.20 1.25 0.00 0.00 0.00 179.25 180.77 3b8i h HIS 195 N 0.20 0.36 -0.24 0.00 -0.00 -1.90 -3.05 115.15 110.52 3b8i h HIS 195 Ca 0.07 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3b8i h HIS 195 Cb 0.35 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3b8i h HIS 195 CO 0.03 0.19 0.15 1.25 -0.00 0.00 0.00 177.93 179.55 3b8i h LEU 196 N 0.40 0.29 -1.04 0.26 5.85 -1.11 -2.86 115.31 117.10 3b8i h LEU 196 Ca 0.16 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.99 3b8i h LEU 196 Cb 0.06 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 3b8i h LEU 196 CO -0.11 0.24 0.62 -0.33 -0.34 0.00 0.00 178.44 178.52 3b8i h GLU 197 N 0.31 0.86 -0.02 1.25 5.08 -1.28 0.33 114.58 121.10 3b8i h GLU 197 Ca 0.09 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 3b8i h GLU 197 Cb -0.00 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3b8i h GLU 197 CO -0.02 0.57 -0.86 0.00 -1.00 0.00 0.00 179.01 177.70 3b8i h ALA 198 N 1.58 0.46 -0.04 3.43 0.00 -1.44 -0.82 119.26 122.43 3b8i h ALA 198 Ca 0.52 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3b8i h ALA 198 Cb 0.66 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3b8i h ALA 198 CO -0.30 0.82 -0.65 0.82 0.00 0.00 0.00 179.25 179.94 3b8i h ILE 199 N 0.22 1.37 0.00 0.00 2.04 -1.16 -3.31 117.51 116.68 3b8i h ILE 199 Ca -0.06 -2.01 -0.00 0.00 1.00 0.00 0.00 64.86 63.79 3b8i h ILE 199 Cb 1.48 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 39.95 3b8i h ILE 199 CO 0.15 0.60 -0.01 0.00 0.00 0.00 0.00 178.15 178.88 3b8i h ALA 200 N 0.40 1.00 -0.33 1.87 0.00 -0.37 -3.35 119.26 118.48 3b8i h ALA 200 Ca -0.07 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3b8i h ALA 200 Cb 1.32 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3b8i h ALA 200 CO 0.13 0.02 -0.16 1.49 0.00 0.00 0.00 179.25 180.73 3b8i h GLU 201 N 0.00 -0.10 -0.67 0.00 4.81 -1.24 -2.90 114.58 114.49 3b8i h GLU 201 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3b8i h GLU 201 Cb 0.56 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3b8i h GLU 201 CO 0.00 -0.07 0.00 0.72 -0.73 0.00 0.00 179.01 178.94 3b8i n HIS 202 N -5.34 1.22 -4.27 0.92 8.25 -1.26 -4.91 115.22 109.84 3b8i n HIS 202 Ca 0.01 -0.56 -0.35 0.00 -0.26 0.00 0.00 57.72 56.56 3b8i n HIS 202 Cb 0.25 -0.13 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 3b8i n HIS 202 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b8i s LEU 203 N -1.45 3.58 -0.10 2.41 1.43 -1.10 -4.97 118.68 118.48 3b8i s LEU 203 Ca 0.49 0.07 0.14 0.00 -1.03 0.00 0.00 54.13 53.81 3b8i s LEU 203 Cb 0.29 -1.85 0.24 0.00 0.03 0.00 0.00 46.19 44.90 3b8i s LEU 203 CO 0.28 0.28 1.12 0.00 0.23 0.00 0.00 176.35 178.26 3b8i n HIS 204 N 2.83 0.00 -4.13 0.29 1.44 -1.26 -4.97 115.22 109.42 3b8i n HIS 204 Ca -0.18 -0.80 -0.28 0.00 -2.01 0.00 0.00 57.72 54.44 3b8i n HIS 204 Cb 0.53 -0.14 -0.07 0.00 0.12 0.00 0.00 29.99 30.43 3b8i n HIS 204 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 3b8i s ILE 205 N -2.17 4.12 0.66 0.61 -4.36 -1.26 -5.10 121.20 113.70 3b8i s ILE 205 Ca 0.25 -1.09 -0.18 0.00 -0.26 0.00 0.00 60.65 59.38 3b8i s ILE 205 Cb 0.23 -3.03 -0.01 0.00 1.25 0.00 0.00 42.46 40.90 3b8i s ILE 205 CO 0.01 0.01 1.21 -2.65 0.24 0.00 0.00 174.94 173.76 3b8i n PRO 206 N 0.18 0.96 -4.36 0.37 -0.02 -1.25 -4.74 135.00 126.14 3b8i n PRO 206 Ca -0.10 0.38 -0.27 0.00 -2.02 0.00 0.00 63.50 61.50 3b8i n PRO 206 Cb 0.53 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3b8i n PRO 206 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b8i s LEU 207 N -3.96 2.71 -0.03 2.45 1.43 -0.90 -1.88 118.68 118.50 3b8i s LEU 207 Ca 0.81 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3b8i s LEU 207 Cb -0.38 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3b8i s LEU 207 CO 0.43 0.11 -0.12 -0.32 0.23 0.00 0.00 176.35 176.67 3b8i s MET 208 N -2.81 1.24 -0.11 1.70 -2.45 0.14 -0.33 119.30 116.67 3b8i s MET 208 Ca 0.23 -0.41 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 3b8i s MET 208 Cb -0.08 -1.12 0.01 0.00 1.25 0.00 0.00 34.83 34.89 3b8i s MET 208 CO 0.13 0.16 -0.20 -0.51 1.05 0.00 0.00 175.02 175.65 3b8i s LEU 209 N 0.13 1.95 -0.50 4.11 1.02 -0.18 -0.42 118.68 124.78 3b8i s LEU 209 Ca -0.03 -0.51 -0.16 0.00 0.02 0.00 0.00 54.13 53.45 3b8i s LEU 209 Cb -0.09 -1.27 0.09 0.00 0.02 0.00 0.00 46.19 44.93 3b8i s LEU 209 CO 0.01 0.08 0.46 -0.69 0.02 0.00 0.00 176.35 176.23 3b8i s VAL 210 N 0.73 5.17 -0.09 -1.59 1.01 -0.71 -0.61 120.40 124.30 3b8i s VAL 210 Ca -0.11 -1.12 0.20 0.00 0.00 0.00 0.00 61.98 60.95 3b8i s VAL 210 Cb -0.16 -4.22 -0.29 0.00 0.00 0.00 0.00 36.38 31.71 3b8i s VAL 210 CO 0.02 -0.71 0.31 0.35 0.00 0.00 0.00 175.10 175.07 3b8i n THR 211 N 5.28 0.49 -3.83 3.92 -2.24 -1.20 -4.19 114.28 112.51 3b8i n THR 211 Ca -0.12 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 60.81 3b8i n THR 211 Cb 0.43 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 3b8i n THR 211 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3b8i n TYR 212 N -2.41 -1.86 -2.33 4.78 4.01 -1.25 -2.51 117.16 115.59 3b8i n TYR 212 Ca -0.14 0.81 -0.20 0.00 -0.16 0.00 0.00 57.90 58.21 3b8i n TYR 212 Cb 0.76 -4.08 -0.02 0.00 -0.31 0.00 0.00 39.34 35.70 3b8i n TYR 212 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3b8i n GLY 213 N -1.72 -0.29 3.60 2.72 0.00 -1.25 -4.90 105.19 103.34 3b8i n GLY 213 Ca -0.25 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.30 3b8i n GLY 213 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3b8i n ASN 214 N -1.93 3.15 0.30 1.61 2.85 -1.05 -4.87 115.26 115.33 3b8i n ASN 214 Ca -0.23 0.58 0.20 0.00 -0.11 0.00 0.00 54.58 55.01 3b8i n ASN 214 Cb 0.68 -1.42 0.92 0.00 1.24 0.00 0.00 39.78 41.20 3b8i n ASN 214 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3b8i h PRO 215 N 12.02 0.00 -0.00 1.20 0.13 -1.92 -2.82 132.00 140.60 3b8i h PRO 215 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3b8i h PRO 215 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3b8i h PRO 215 CO 0.97 0.00 -0.09 1.04 -0.23 0.00 0.00 178.00 179.68 3b8i n GLN 216 N -3.07 0.69 -2.08 0.86 1.13 -1.26 -4.08 117.38 109.57 3b8i n GLN 216 Ca -0.01 -0.22 -0.24 0.00 -1.94 0.00 0.00 57.00 54.60 3b8i n GLN 216 Cb 0.20 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.07 3b8i n GLN 216 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3b8i n LEU 217 N -0.97 4.82 -2.31 1.08 4.77 -1.07 -3.97 117.00 119.37 3b8i n LEU 217 Ca 0.15 -4.75 -0.31 0.00 -0.03 0.00 0.00 56.01 51.08 3b8i n LEU 217 Cb 0.27 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3b8i n LEU 217 CO 0.23 2.09 0.83 0.54 -1.33 0.00 0.00 177.39 179.76 3b8i n ARG 218 N -0.69 3.14 -3.90 3.23 1.74 -1.26 -4.83 116.66 114.10 3b8i n ARG 218 Ca 0.43 -3.81 -0.30 0.00 -0.77 0.00 0.00 57.85 53.40 3b8i n ARG 218 Cb 0.94 -2.28 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 3b8i n ARG 218 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3b8i s ASP 219 N -2.61 4.00 0.39 0.55 -1.08 -1.26 -5.00 116.67 111.65 3b8i s ASP 219 Ca 0.56 -1.42 0.08 0.00 -0.52 0.00 0.00 52.55 51.25 3b8i s ASP 219 Cb 0.45 -1.17 0.79 0.00 -1.46 0.00 0.00 42.92 41.53 3b8i s ASP 219 CO -0.07 -0.30 1.96 0.44 0.52 0.00 0.00 175.17 177.72 3b8i h ASP 220 N 7.94 0.35 -0.36 -0.34 5.19 -1.99 0.31 116.42 127.51 3b8i h ASP 220 Ca -0.15 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.13 3b8i h ASP 220 Cb 1.05 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 3b8i h ASP 220 CO 0.44 0.39 -0.09 0.00 -3.12 0.00 0.00 179.24 176.86 3b8i h ALA 221 N 1.66 0.99 0.20 3.45 0.00 -1.98 -0.93 119.26 122.65 3b8i h ALA 221 Ca 0.09 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.37 3b8i h ALA 221 Cb 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.85 3b8i h ALA 221 CO 0.00 0.60 -1.42 -0.09 0.00 0.00 0.00 179.25 178.35 3b8i h ARG 222 N 0.72 0.41 -0.70 0.00 2.43 -1.70 -2.43 114.38 113.12 3b8i h ARG 222 Ca 0.12 -0.71 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 3b8i h ARG 222 Cb 0.58 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 3b8i h ARG 222 CO 0.04 1.33 0.39 -0.07 -1.51 0.00 0.00 179.97 180.14 3b8i h LEU 223 N 0.11 0.86 -0.49 3.80 3.38 -0.38 -2.64 115.31 119.96 3b8i h LEU 223 Ca -0.22 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 3b8i h LEU 223 Cb 2.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 3b8i h LEU 223 CO 0.24 0.71 -0.40 0.00 0.09 0.00 0.00 178.44 179.07 3b8i h ALA 224 N 1.19 0.67 0.00 1.53 0.00 -1.11 -1.95 119.26 119.59 3b8i h ALA 224 Ca 0.25 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3b8i h ALA 224 Cb 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3b8i h ALA 224 CO -0.04 0.67 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 3b8i h ARG 225 N 0.65 0.00 -0.00 0.00 3.08 -1.44 -1.23 114.38 115.44 3b8i h ARG 225 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3b8i h ARG 225 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3b8i h ARG 225 CO 0.09 0.15 -0.01 1.28 -1.07 0.00 0.00 179.97 180.41 3b8i n LEU 226 N -3.92 0.28 0.00 3.04 4.77 -0.92 -4.91 117.00 115.34 3b8i n LEU 226 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3b8i n LEU 226 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3b8i n LEU 226 CO 0.33 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3b8i n GLY 227 N 1.10 0.63 3.73 -0.72 0.00 -0.47 -4.89 105.19 104.57 3b8i n GLY 227 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3b8i n GLY 227 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3b8i s VAL 228 N -2.46 3.57 -0.01 1.61 -7.23 -0.78 -2.11 120.40 112.98 3b8i s VAL 228 Ca 0.00 1.28 0.04 0.00 -1.81 0.00 0.00 61.98 61.49 3b8i s VAL 228 Cb 0.00 -3.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.06 3b8i s VAL 228 CO 0.00 0.19 0.08 0.54 -0.31 0.00 0.00 175.10 175.60 3b8i n ARG 229 N 2.72 0.51 -3.74 4.82 5.12 0.55 -3.95 116.66 122.70 3b8i n ARG 229 Ca 0.05 -0.03 -0.18 0.00 -1.93 0.00 0.00 57.85 55.76 3b8i n ARG 229 Cb 0.44 -1.09 -0.17 0.00 -1.16 0.00 0.00 32.46 30.48 3b8i n ARG 229 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3b8i s VAL 230 N -2.25 -0.03 -0.13 1.55 1.01 -1.17 -1.27 120.40 118.10 3b8i s VAL 230 Ca -0.01 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.28 3b8i s VAL 230 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.23 3b8i s VAL 230 CO 0.16 0.15 -0.17 -0.69 0.00 0.00 0.00 175.10 174.55 3b8i s VAL 231 N 1.68 2.60 -0.45 2.92 1.01 0.15 -1.01 120.40 127.29 3b8i s VAL 231 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 3b8i s VAL 231 Cb -0.13 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3b8i s VAL 231 CO -0.03 0.53 0.49 -0.69 0.00 0.00 0.00 175.10 175.40 3b8i s VAL 232 N 0.58 5.04 0.09 2.92 1.01 0.22 -1.10 120.40 129.16 3b8i s VAL 232 Ca -0.10 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3b8i s VAL 232 Cb -0.16 -4.13 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 3b8i s VAL 232 CO 0.03 -0.56 1.64 0.78 0.00 0.00 0.00 175.10 176.99 3b8i h ASN 233 N 8.81 -0.73 0.00 3.32 4.21 -1.87 -3.17 115.58 126.16 3b8i h ASN 233 Ca -0.27 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3b8i h ASN 233 Cb 1.11 0.24 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 3b8i h ASN 233 CO 0.86 -0.41 0.00 0.61 -1.29 0.00 0.00 177.43 177.20 3b8i n GLY 234 N -1.40 0.68 1.58 2.83 0.00 -1.26 -3.87 105.19 103.74 3b8i n GLY 234 Ca -0.10 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.29 3b8i n GLY 234 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3b8i n HIS 235 N 9.00 0.48 -0.33 1.61 8.25 -1.26 -4.55 115.22 128.42 3b8i n HIS 235 Ca 0.00 -1.20 0.25 0.00 -0.26 0.00 0.00 57.72 56.51 3b8i n HIS 235 Cb 0.00 -0.21 0.54 0.00 1.12 0.00 0.00 29.99 31.45 3b8i n HIS 235 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b8i h ALA 236 N 1.40 2.35 -0.26 -1.41 0.00 -1.99 -1.93 119.26 117.42 3b8i h ALA 236 Ca -0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3b8i h ALA 236 Cb 1.54 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3b8i h ALA 236 CO 0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 179.25 178.58 3b8i h ALA 237 N 1.60 1.43 0.14 0.00 0.00 -1.94 -1.22 119.26 119.26 3b8i h ALA 237 Ca 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3b8i h ALA 237 Cb 1.64 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3b8i h ALA 237 CO -0.27 0.40 -0.07 -0.92 0.00 0.00 0.00 179.25 178.39 3b8i h TYR 238 N 0.38 -0.17 -0.62 0.00 3.20 -1.71 -3.10 116.97 114.95 3b8i h TYR 238 Ca 0.08 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.09 3b8i h TYR 238 Cb 0.35 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3b8i h TYR 238 CO 0.01 0.21 0.43 0.74 -1.64 0.00 0.00 178.16 177.91 3b8i h PHE 239 N -0.60 0.27 -0.33 -3.82 0.04 -1.36 -1.83 116.94 109.30 3b8i h PHE 239 Ca -0.02 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 3b8i h PHE 239 Cb 0.46 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3b8i h PHE 239 CO 0.05 0.11 -0.32 0.00 -0.60 0.00 0.00 178.31 177.55 3b8i h ALA 240 N 1.70 0.81 0.07 2.45 0.00 -1.24 -1.90 119.26 121.14 3b8i h ALA 240 Ca 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3b8i h ALA 240 Cb 0.86 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3b8i h ALA 240 CO -0.06 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.77 3b8i h ALA 241 N 1.03 -0.13 -0.60 0.00 0.00 -1.26 -1.62 119.26 116.68 3b8i h ALA 241 Ca 0.07 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3b8i h ALA 241 Cb 0.84 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3b8i h ALA 241 CO 0.07 -0.58 0.27 0.82 0.00 0.00 0.00 179.25 179.83 3b8i h ILE 242 N -0.15 0.85 -0.51 0.00 1.08 -1.34 -0.96 117.51 116.48 3b8i h ILE 242 Ca 0.00 -0.17 -0.12 0.00 -0.39 0.00 0.00 64.86 64.18 3b8i h ILE 242 Cb 0.15 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 3b8i h ILE 242 CO -0.02 0.09 -0.16 0.50 -0.69 0.00 0.00 178.15 177.86 3b8i h LYS 243 N 0.49 1.00 -0.59 2.37 3.64 -1.19 -1.25 116.57 121.04 3b8i h LYS 243 Ca 0.29 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3b8i h LYS 243 Cb 0.29 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3b8i h LYS 243 CO -0.25 1.08 -0.00 0.00 -2.27 0.00 0.00 179.45 178.00 3b8i h ALA 244 N 0.92 0.86 -0.32 5.00 0.00 -0.85 0.24 119.26 125.12 3b8i h ALA 244 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3b8i h ALA 244 Cb 0.74 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3b8i h ALA 244 CO 0.06 0.66 0.21 1.15 0.00 0.00 0.00 179.25 181.33 3b8i h THR 245 N 0.95 1.08 0.06 0.00 2.02 -1.13 0.15 112.91 116.05 3b8i h THR 245 Ca 0.17 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.22 3b8i h THR 245 Cb 0.56 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3b8i h THR 245 CO 0.03 0.08 -0.20 0.22 0.37 0.00 0.00 175.52 176.02 3b8i h TYR 246 N 0.42 -0.52 -0.43 3.16 3.20 -0.91 -0.26 116.97 121.63 3b8i h TYR 246 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 3b8i h TYR 246 Cb -0.05 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3b8i h TYR 246 CO -0.06 -0.29 0.06 -0.44 -1.64 0.00 0.00 178.16 175.80 3b8i h ASP 247 N -0.35 0.62 -0.07 -2.11 3.32 -0.45 -0.05 116.42 117.33 3b8i h ASP 247 Ca 0.04 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3b8i h ASP 247 Cb 0.40 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3b8i h ASP 247 CO -0.14 0.65 -0.00 0.00 -1.72 0.00 0.00 179.24 178.03 3b8i h LEU 249 N -0.17 0.70 -1.56 0.00 3.38 -0.82 -2.40 115.31 114.45 3b8i h LEU 249 Ca 0.02 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3b8i h LEU 249 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3b8i h LEU 249 CO 0.00 0.83 0.31 -0.09 0.09 0.00 0.00 178.44 179.58 3b8i h ARG 250 N 0.55 0.59 0.00 1.13 1.12 -1.07 -1.18 114.38 115.52 3b8i h ARG 250 Ca 0.12 -0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.86 3b8i h ARG 250 Cb 0.47 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 3b8i h ARG 250 CO 0.02 0.39 -0.44 1.49 -3.11 0.00 0.00 179.97 178.32 3b8i h GLU 251 N 0.61 0.00 -0.14 0.20 4.57 -1.18 -1.62 114.58 117.02 3b8i h GLU 251 Ca 0.17 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.13 3b8i h GLU 251 Cb -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3b8i h GLU 251 CO -0.04 0.44 -0.80 0.93 -1.18 0.00 0.00 179.01 178.36 3b8i h GLU 252 N 0.00 0.79 0.00 1.92 5.08 -0.81 -3.16 114.58 118.40 3b8i h GLU 252 Ca -0.00 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 3b8i h GLU 252 Cb 1.25 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3b8i h GLU 252 CO 0.06 1.26 0.00 -0.09 -1.00 0.00 0.00 179.01 179.24 3b8i h ARG 253 N 0.53 0.00 0.00 2.33 9.65 -1.19 -3.46 114.38 122.25 3b8i h ARG 253 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3b8i h ARG 253 Cb 1.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 3b8i h ARG 253 CO 0.16 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.34 3b8i n GLY 254 N 0.18 0.38 3.72 2.80 0.00 -1.03 -5.03 105.19 106.21 3b8i n GLY 254 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3b8i n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8i s ALA 255 N -1.84 1.21 -0.05 4.61 0.00 -0.64 -5.01 121.76 120.04 3b8i s ALA 255 Ca 0.00 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 3b8i s ALA 255 Cb 0.00 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 3b8i s ALA 255 CO 0.00 -3.13 0.55 0.54 0.00 0.00 0.00 175.76 173.72 3b8i s VAL 256 N -3.31 5.03 0.98 0.00 0.11 -1.26 -4.75 120.40 117.19 3b8i s VAL 256 Ca 0.71 1.13 -0.11 0.00 -2.93 0.00 0.00 61.98 60.79 3b8i s VAL 256 Cb -0.08 -3.88 0.18 0.00 -1.53 0.00 0.00 36.38 31.07 3b8i s VAL 256 CO 0.55 0.39 1.11 0.00 -3.33 0.00 0.00 175.10 173.81 3b8i s ALA 257 N 0.10 0.93 -0.08 1.54 0.00 -1.26 -5.02 121.76 117.98 3b8i s ALA 257 Ca 0.29 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 3b8i s ALA 257 Cb -0.17 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3b8i s ALA 257 CO 0.15 -3.04 -0.00 0.45 0.00 0.00 0.00 175.76 173.31 3b8i s SER 258 N -2.66 5.20 0.19 0.00 0.15 -1.26 -4.97 113.70 110.34 3b8i s SER 258 Ca 0.67 0.12 0.22 0.00 0.70 0.00 0.00 55.95 57.66 3b8i s SER 258 Cb -0.23 -1.45 0.89 0.00 -1.71 0.00 0.00 66.02 63.53 3b8i s SER 258 CO 0.60 0.37 1.66 -0.67 1.20 0.00 0.00 173.24 176.40 3b8i n ASP 259 N 2.07 0.51 -4.76 5.45 -0.08 -1.26 -4.88 116.55 113.60 3b8i n ASP 259 Ca -0.18 0.62 -0.39 0.00 -1.51 0.00 0.00 54.79 53.33 3b8i n ASP 259 Cb 0.53 -0.73 -0.06 0.00 2.34 0.00 0.00 41.12 43.21 3b8i n ASP 259 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3b8i s LEU 260 N -4.12 4.53 0.99 -2.67 1.02 -1.26 -5.08 118.68 112.09 3b8i s LEU 260 Ca 0.05 1.99 -0.12 0.00 0.02 0.00 0.00 54.13 56.07 3b8i s LEU 260 Cb 0.10 -3.75 0.19 0.00 0.02 0.00 0.00 46.19 42.75 3b8i s LEU 260 CO 0.38 0.00 1.09 0.42 0.02 0.00 0.00 176.35 178.27 3b8i s THR 261 N -1.31 2.08 0.21 5.49 -4.23 -1.26 -4.77 115.64 111.85 3b8i s THR 261 Ca 0.45 0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 3b8i s THR 261 Cb -0.25 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.21 3b8i s THR 261 CO 0.32 -0.04 1.88 0.00 -0.54 0.00 0.00 174.62 176.24 3b8i h ALA 262 N -1.88 0.94 -0.28 3.99 0.00 -1.98 0.13 119.26 120.17 3b8i h ALA 262 Ca -0.54 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 3b8i h ALA 262 Cb 1.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3b8i h ALA 262 CO 0.58 0.34 -0.29 0.66 0.00 0.00 0.00 179.25 180.54 3b8i h SER 263 N 0.99 0.59 -0.02 0.00 4.64 -1.94 -2.43 113.55 115.37 3b8i h SER 263 Ca 0.27 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3b8i h SER 263 Cb -0.10 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3b8i h SER 263 CO -0.06 0.85 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.39 3b8i h GLU 264 N 0.50 0.06 -0.33 4.77 5.08 -1.83 -2.17 114.58 120.66 3b8i h GLU 264 Ca 0.06 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3b8i h GLU 264 Cb 0.75 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 3b8i h GLU 264 CO 0.06 0.55 -0.18 1.25 -1.00 0.00 0.00 179.01 179.68 3b8i h LEU 265 N -0.43 -0.61 -0.33 1.33 5.85 -0.80 0.35 115.31 120.67 3b8i h LEU 265 Ca 0.00 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3b8i h LEU 265 Cb 0.54 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 3b8i h LEU 265 CO 0.01 -0.22 0.01 0.28 -0.34 0.00 0.00 178.44 178.18 3b8i h SER 266 N -0.13 -0.10 -0.84 1.25 0.02 -1.42 -2.23 113.55 110.09 3b8i h SER 266 Ca 0.17 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3b8i h SER 266 Cb 0.40 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3b8i h SER 266 CO -0.42 -0.02 0.44 0.50 -1.14 0.00 0.00 176.83 176.19 3b8i h LYS 267 N 0.11 1.19 -0.90 3.45 3.64 -0.99 -2.55 116.57 120.52 3b8i h LYS 267 Ca 0.16 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 3b8i h LYS 267 Cb 0.21 -0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 3b8i h LYS 267 CO -0.26 0.89 0.54 -0.22 -2.27 0.00 0.00 179.45 178.14 3b8i h LYS 268 N 1.19 0.85 -0.01 1.90 3.64 -0.32 -1.65 116.57 122.17 3b8i h LYS 268 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3b8i h LYS 268 Cb 0.07 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3b8i h LYS 268 CO -0.04 0.56 -0.02 0.66 -2.27 0.00 0.00 179.45 178.34 3b8i n TYR 269 N -4.69 0.00 1.44 1.91 4.01 -0.97 -2.20 117.16 116.65 3b8i n TYR 269 Ca 0.16 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.03 3b8i n TYR 269 Cb 0.31 -0.03 0.71 0.00 -0.31 0.00 0.00 39.34 40.03 3b8i n TYR 269 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3b8i n THR 270 N -0.52 0.09 -3.86 -0.72 -2.24 -0.62 -4.78 114.28 101.63 3b8i n THR 270 Ca 0.21 0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.77 3b8i n THR 270 Cb 0.23 -0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3b8i n THR 270 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3b8i n PHE 271 N -1.13 -1.76 -0.27 4.78 0.99 -0.94 -4.51 117.46 114.62 3b8i n PHE 271 Ca 0.16 0.79 0.16 0.00 -0.00 0.00 0.00 57.45 58.55 3b8i n PHE 271 Cb 0.14 -3.98 0.43 0.00 -1.00 0.00 0.00 39.48 35.07 3b8i n PHE 271 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3b8i h PRO 272 N -1.85 0.55 -0.01 -1.08 0.13 -1.78 -1.69 132.00 126.27 3b8i h PRO 272 Ca -0.62 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.36 3b8i h PRO 272 Cb 1.37 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3b8i h PRO 272 CO 0.60 0.37 -0.55 0.93 -0.23 0.00 0.00 178.00 179.13 3b8i h GLU 273 N 0.57 0.03 -0.14 0.86 3.07 -1.95 -0.43 114.58 116.58 3b8i h GLU 273 Ca 0.49 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.29 3b8i h GLU 273 Cb 0.98 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 3b8i h GLU 273 CO -0.23 0.56 -0.06 1.49 -1.40 0.00 0.00 179.01 179.37 3b8i h GLU 274 N 0.02 0.29 -0.46 2.33 4.81 -1.68 -2.20 114.58 117.69 3b8i h GLU 274 Ca -0.00 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 3b8i h GLU 274 Cb 0.97 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 3b8i h GLU 274 CO 0.07 0.61 0.02 1.88 -0.73 0.00 0.00 179.01 180.86 3b8i h TYR 275 N -0.05 0.79 -0.29 0.92 0.05 -1.42 -2.00 116.97 114.97 3b8i h TYR 275 Ca 0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3b8i h TYR 275 Cb 0.53 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3b8i h TYR 275 CO 0.06 0.73 0.14 0.37 -1.05 0.00 0.00 178.16 178.41 3b8i h GLN 276 N 0.70 0.41 -0.30 4.88 5.75 -1.09 -1.71 115.11 123.77 3b8i h GLN 276 Ca 0.14 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 3b8i h GLN 276 Cb 0.41 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 3b8i h GLN 276 CO 0.02 0.40 -0.14 0.00 -2.65 0.00 0.00 178.83 176.45 3b8i h ALA 277 N 0.99 1.20 -0.40 3.38 0.00 -1.19 -0.34 119.26 122.90 3b8i h ALA 277 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3b8i h ALA 277 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3b8i h ALA 277 CO -0.01 0.51 0.06 -1.49 0.00 0.00 0.00 179.25 178.32 3b8i h TRP 278 N 0.48 0.70 -0.68 0.00 6.55 -1.26 0.64 115.95 122.37 3b8i h TRP 278 Ca 0.08 -0.10 -0.03 0.00 0.95 0.00 0.00 58.89 59.79 3b8i h TRP 278 Cb 0.53 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.61 3b8i h TRP 278 CO 0.02 0.70 0.30 0.00 -1.05 0.00 0.00 178.44 178.41 3b8i h ALA 279 N 0.92 0.88 0.67 1.49 0.00 -0.86 -0.22 119.26 122.13 3b8i h ALA 279 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3b8i h ALA 279 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3b8i h ALA 279 CO 0.01 0.48 -0.48 -0.09 0.00 0.00 0.00 179.25 179.17 3b8i h ARG 280 N 0.96 -1.05 -0.63 0.00 9.65 -0.88 0.31 114.38 122.74 3b8i h ARG 280 Ca 0.23 0.07 0.03 0.00 -1.10 0.00 0.00 59.98 59.21 3b8i h ARG 280 Cb 0.16 0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 3b8i h ARG 280 CO -0.02 -0.70 0.42 0.22 2.80 0.00 0.00 179.97 182.68 3b8i h ASP 281 N -1.09 0.66 0.00 -3.80 1.82 -0.79 -3.20 116.42 110.01 3b8i h ASP 281 Ca -0.09 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 3b8i h ASP 281 Cb 0.90 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.76 3b8i h ASP 281 CO 0.04 0.46 0.00 -1.22 -1.61 0.00 0.00 179.24 176.91 3b8i n TYR 282 N -4.46 0.00 -1.10 0.28 4.01 -0.10 -4.73 117.16 111.05 3b8i n TYR 282 Ca 0.08 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.85 3b8i n TYR 282 Cb 0.12 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.20 3b8i n TYR 282 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3b8i n MET 283 N -0.64 1.07 -4.89 -0.72 2.81 0.11 -5.02 117.12 109.84 3b8i n MET 283 Ca 0.00 -1.60 -0.26 0.00 -1.81 0.00 0.00 57.70 54.03 3b8i n MET 283 Cb 0.00 -0.97 -0.15 0.00 -0.71 0.00 0.00 33.22 31.39 3b8i n MET 283 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3b8i s GLU 284 N -1.25 1.52 0.38 0.03 2.02 -1.20 -1.95 118.70 118.26 3b8i s GLU 284 Ca 0.12 -0.71 -0.27 0.00 0.02 0.00 0.00 54.97 54.13 3b8i s GLU 284 Cb 0.10 -1.49 -0.11 0.00 0.10 0.00 0.00 34.13 32.73 3b8i s GLU 284 CO 0.01 0.41 1.29 1.55 0.02 0.00 0.00 175.26 178.54 3b8i n VAL 285 N 2.52 2.24 -0.60 2.63 3.14 -1.26 -4.93 118.33 122.07 3b8i n VAL 285 Ca -0.15 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 3b8i n VAL 285 Cb 0.53 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 3b8i n VAL 285 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54