#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 3.58 0.76 7.54 0.00 -1.26 -5.01 121.76 127.38 3b8i s ALA 4 Ca 0.00 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3b8i s ALA 4 Cb 0.00 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3b8i s ALA 4 CO 0.00 -0.99 1.13 -1.54 0.00 0.00 0.00 175.76 174.35 3b8i s SER 5 N 1.99 4.77 0.37 0.00 1.04 -1.26 -4.79 113.70 115.82 3b8i s SER 5 Ca 0.62 0.78 0.09 0.00 0.48 0.00 0.00 55.95 57.92 3b8i s SER 5 Cb -0.28 -1.37 0.83 0.00 0.10 0.00 0.00 66.02 65.29 3b8i s SER 5 CO 0.24 -1.72 1.92 0.45 0.98 0.00 0.00 173.24 175.10 3b8i h HIS 6 N -0.87 0.73 -0.26 5.02 3.86 -1.95 -0.38 115.15 121.30 3b8i h HIS 6 Ca -0.46 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 58.65 3b8i h HIS 6 Cb 1.31 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 3b8i h HIS 6 CO 0.35 0.33 -0.31 1.25 0.86 0.00 0.00 177.93 180.41 3b8i h HIS 7 N 0.67 0.82 -0.56 2.45 -0.00 -1.92 -2.73 115.15 113.87 3b8i h HIS 7 Ca 0.37 -0.26 -0.07 0.00 -0.00 0.00 0.00 60.37 60.42 3b8i h HIS 7 Cb 0.53 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 3b8i h HIS 7 CO -0.00 1.00 0.08 0.93 -0.00 0.00 0.00 177.93 179.94 3b8i h GLU 8 N 0.40 0.89 -0.78 5.26 5.08 -1.77 -2.12 114.58 121.54 3b8i h GLU 8 Ca 0.03 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3b8i h GLU 8 Cb 0.89 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 3b8i h GLU 8 CO 0.08 0.84 0.51 -0.07 -1.00 0.00 0.00 179.01 179.36 3b8i h LEU 9 N 0.84 0.78 -0.84 1.33 3.38 -1.05 -1.05 115.31 118.71 3b8i h LEU 9 Ca 0.17 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3b8i h LEU 9 Cb 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3b8i h LEU 9 CO 0.01 0.52 -0.27 0.03 0.09 0.00 0.00 178.44 178.83 3b8i h ARG 10 N 0.90 0.56 -0.29 1.13 3.08 -1.15 -0.72 114.38 117.88 3b8i h ARG 10 Ca 0.32 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3b8i h ARG 10 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3b8i h ARG 10 CO -0.10 0.78 0.07 0.00 -1.07 0.00 0.00 179.97 179.65 3b8i h ALA 11 N 1.22 0.39 -0.36 0.04 0.00 -0.62 -1.03 119.26 118.90 3b8i h ALA 11 Ca 0.07 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3b8i h ALA 11 Cb 0.72 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3b8i h ALA 11 CO 0.06 0.05 -0.01 0.52 0.00 0.00 0.00 179.25 179.86 3b8i h MET 12 N 0.31 0.08 -0.36 0.00 2.86 -1.04 0.22 114.93 117.01 3b8i h MET 12 Ca 0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3b8i h MET 12 Cb 0.29 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3b8i h MET 12 CO 0.00 0.05 0.19 0.35 1.06 0.00 0.00 176.91 178.56 3b8i h PHE 13 N 0.08 0.50 -0.74 -0.22 3.57 -0.94 -1.48 116.94 117.72 3b8i h PHE 13 Ca 0.18 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.77 3b8i h PHE 13 Cb 0.25 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 3b8i h PHE 13 CO -0.26 0.40 0.36 0.00 -2.23 0.00 0.00 178.31 176.57 3b8i h ARG 14 N 0.45 0.56 0.00 1.11 2.47 -0.92 -1.49 114.38 116.57 3b8i h ARG 14 Ca 0.12 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 3b8i h ARG 14 Cb 0.07 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3b8i h ARG 14 CO -0.02 0.37 -0.09 0.00 0.56 0.00 0.00 179.97 180.80 3b8i h ALA 15 N 1.46 1.20 -0.01 0.04 0.00 0.22 -1.31 119.26 120.86 3b8i h ALA 15 Ca 0.37 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3b8i h ALA 15 Cb 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3b8i h ALA 15 CO -0.30 0.11 -0.33 -0.07 0.00 0.00 0.00 179.25 178.65 3b8i h LEU 16 N 0.00 0.31 -2.40 0.00 3.38 -0.30 -2.93 115.31 113.38 3b8i h LEU 16 Ca -0.00 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 3b8i h LEU 16 Cb 0.32 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3b8i h LEU 16 CO 0.01 1.02 -0.03 -0.07 0.09 0.00 0.00 178.44 179.46 3b8i h LEU 17 N -0.37 0.00 -1.79 1.67 3.38 -0.73 -1.40 115.31 116.07 3b8i h LEU 17 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3b8i h LEU 17 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3b8i h LEU 17 CO 0.07 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.10 3b8i n ASP 18 N -3.50 2.76 -4.70 -0.43 8.00 -0.56 -4.87 116.55 113.25 3b8i n ASP 18 Ca -0.02 -1.90 -0.28 0.00 0.71 0.00 0.00 54.79 53.29 3b8i n ASP 18 Cb 0.14 -0.05 0.11 0.00 -0.02 0.00 0.00 41.12 41.30 3b8i n ASP 18 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3b8i s SER 19 N -1.89 4.21 -0.14 -2.24 1.04 -0.53 -4.98 113.70 109.18 3b8i s SER 19 Ca 0.32 0.53 0.13 0.00 0.48 0.00 0.00 55.95 57.40 3b8i s SER 19 Cb 0.21 -0.93 0.61 0.00 0.10 0.00 0.00 66.02 66.00 3b8i s SER 19 CO 0.31 -2.05 1.47 -1.54 0.98 0.00 0.00 173.24 172.41 3b8i n SER 20 N -3.32 4.30 -4.75 7.02 3.41 -1.26 -4.98 113.62 114.04 3b8i n SER 20 Ca 0.10 -2.53 -0.22 0.00 -0.26 0.00 0.00 58.87 55.95 3b8i n SER 20 Cb 0.60 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.07 2.55 -0.01 4.33 0.52 -1.26 -4.73 118.95 118.28 3b8i s ARG 21 Ca 0.42 -1.33 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 3b8i s ARG 21 Cb 0.29 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 3b8i s ARG 21 CO 0.16 0.27 0.15 0.00 0.02 0.00 0.00 175.30 175.91 3b8i s TYR 23 N -1.28 0.95 -0.21 0.00 2.02 0.42 -4.98 117.35 114.27 3b8i s TYR 23 Ca 0.26 -0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 3b8i s TYR 23 Cb -0.12 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 3b8i s TYR 23 CO 0.17 -0.01 0.03 -1.01 -1.57 0.00 0.00 175.55 173.16 3b8i s HIS 24 N -0.47 3.07 0.50 2.71 3.76 -1.26 0.47 115.29 124.08 3b8i s HIS 24 Ca 0.02 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.32 3b8i s HIS 24 Cb -0.05 -2.13 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 3b8i s HIS 24 CO 0.00 -0.23 1.22 0.95 -0.85 0.00 0.00 174.74 175.83 3b8i s THR 25 N 1.12 2.79 0.21 1.30 -4.23 -0.88 -4.77 115.64 111.17 3b8i s THR 25 Ca 0.03 0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 60.98 3b8i s THR 25 Cb -0.14 -3.29 -0.07 0.00 1.34 0.00 0.00 72.50 70.34 3b8i s THR 25 CO 0.02 -0.02 0.60 0.00 -0.54 0.00 0.00 174.62 174.68 3b8i s ALA 26 N -1.49 3.51 -0.32 3.99 0.00 -0.93 -4.76 121.76 121.76 3b8i s ALA 26 Ca 0.67 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 3b8i s ALA 26 Cb -0.32 -2.58 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 3b8i s ALA 26 CO 0.38 0.43 1.42 0.45 0.00 0.00 0.00 175.76 178.45 3b8i s SER 27 N -1.97 6.46 -0.30 0.00 0.15 -1.26 -0.62 113.70 116.16 3b8i s SER 27 Ca 0.44 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.28 3b8i s SER 27 Cb -0.13 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.72 3b8i s SER 27 CO 0.20 -1.26 -0.02 -0.69 1.20 0.00 0.00 173.24 172.66 3b8i s VAL 28 N 5.01 2.09 -0.03 4.45 1.01 -0.58 -4.87 120.40 127.48 3b8i s VAL 28 Ca 0.62 -1.90 0.01 0.00 0.00 0.00 0.00 61.98 60.70 3b8i s VAL 28 Cb -0.17 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3b8i s VAL 28 CO 0.28 -0.33 0.03 2.22 0.00 0.00 0.00 175.10 177.30 3b8i n PHE 29 N 4.39 0.00 -3.86 5.22 1.16 -1.26 -3.24 117.46 119.88 3b8i n PHE 29 Ca -0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.46 3b8i n PHE 29 Cb 0.42 -0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 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 -1.20 -0.24 0.23 5.98 1.47 -1.26 -4.95 116.67 116.70 3b8i s ASP 30 Ca 0.00 -0.65 -0.06 0.00 1.18 0.00 0.00 52.55 53.02 3b8i s ASP 30 Cb 0.01 0.74 0.41 0.00 -0.34 0.00 0.00 42.92 43.73 3b8i s ASP 30 CO 0.03 -1.38 1.73 -0.65 0.68 0.00 0.00 175.17 175.58 3b8i h PRO 31 N 2.00 0.39 -0.47 2.11 0.11 -1.90 -1.77 132.00 132.47 3b8i h PRO 31 Ca -0.20 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3b8i h PRO 31 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3b8i h PRO 31 CO 0.24 0.26 0.18 0.52 -0.21 0.00 0.00 178.00 178.99 3b8i h MET 32 N 0.40 0.71 -0.14 1.05 2.86 -1.97 -1.97 114.93 115.87 3b8i h MET 32 Ca 0.38 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.83 3b8i h MET 32 Cb 0.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3b8i h MET 32 CO -0.40 0.65 -0.20 0.66 1.06 0.00 0.00 176.91 178.68 3b8i h SER 33 N 0.62 0.23 -0.43 1.22 4.64 -1.89 -1.09 113.55 116.85 3b8i h SER 33 Ca 0.16 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 3b8i h SER 33 Cb 0.21 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3b8i h SER 33 CO -0.01 0.45 -0.16 0.00 -0.87 0.00 0.00 176.83 176.24 3b8i h ALA 34 N 1.57 0.60 -0.25 5.18 0.00 -0.98 -0.06 119.26 125.32 3b8i h ALA 34 Ca 0.04 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3b8i h ALA 34 Cb 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3b8i h ALA 34 CO 0.03 0.53 -0.52 0.00 0.00 0.00 0.00 179.25 179.29 3b8i h ARG 35 N 0.69 0.71 0.43 0.00 3.08 -1.04 -1.80 114.38 116.44 3b8i h ARG 35 Ca 0.10 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 3b8i h ARG 35 Cb 0.71 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3b8i h ARG 35 CO 0.05 1.05 -0.29 0.82 -1.07 0.00 0.00 179.97 180.53 3b8i h ILE 36 N 0.55 0.39 -0.61 2.04 2.04 -1.06 -1.40 117.51 119.47 3b8i h ILE 36 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 3b8i h ILE 36 Cb 1.08 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3b8i h ILE 36 CO 0.11 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.64 3b8i h ALA 37 N -0.20 0.78 -0.40 1.87 0.00 -0.93 -0.96 119.26 119.42 3b8i h ALA 37 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3b8i h ALA 37 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3b8i h ALA 37 CO 0.02 0.15 0.25 0.00 0.00 0.00 0.00 179.25 179.68 3b8i h ALA 38 N 1.25 0.50 0.00 0.00 0.00 -1.34 -1.65 119.26 118.01 3b8i h ALA 38 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3b8i h ALA 38 Cb -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3b8i h ALA 38 CO -0.08 -0.02 -0.05 0.22 0.00 0.00 0.00 179.25 179.32 3b8i h ASP 39 N 0.53 0.00 0.44 0.00 3.58 -0.56 -1.85 116.42 118.56 3b8i h ASP 39 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3b8i h ASP 39 Cb -0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3b8i h ASP 39 CO -0.03 0.05 -0.15 0.18 -2.88 0.00 0.00 179.24 176.41 3b8i n LEU 40 N -4.19 0.45 0.00 2.28 4.77 -0.43 -4.93 117.00 114.95 3b8i n LEU 40 Ca -0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3b8i n LEU 40 Cb 0.13 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3b8i n LEU 40 CO 0.32 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3b8i n GLY 41 N 1.33 0.68 3.74 -0.72 0.00 -0.70 -5.04 105.19 104.49 3b8i n GLY 41 Ca 0.12 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.61 2.45 0.10 1.61 3.72 -0.64 -4.92 117.46 117.17 3b8i n PHE 42 Ca 0.00 0.45 -0.17 0.00 -0.05 0.00 0.00 57.45 57.68 3b8i n PHE 42 Cb 0.00 -2.41 -0.14 0.00 -0.94 0.00 0.00 39.48 35.98 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 2.03 0.29 -3.53 -1.08 3.07 -1.89 -3.44 114.58 110.03 3b8i h GLU 43 Ca -0.50 -0.49 -0.06 0.00 -0.50 0.00 0.00 59.36 57.81 3b8i h GLU 43 Cb 1.28 0.18 -0.13 0.00 -0.84 0.00 0.00 28.75 29.25 3b8i h GLU 43 CO 0.60 1.20 -0.15 0.00 -1.40 0.00 0.00 179.01 179.26 3b8i s GLY 45 N -2.85 2.11 -0.05 0.00 0.00 -0.53 -2.19 107.32 103.82 3b8i s GLY 45 Ca 0.06 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.74 3b8i s GLY 45 CO -0.09 -1.95 -0.11 -1.50 0.00 0.00 0.00 173.10 169.45 3b8i s ILE 46 N -2.86 0.98 -0.47 0.90 1.10 0.20 -1.40 121.20 119.66 3b8i s ILE 46 Ca 0.32 -0.41 -0.17 0.00 -0.51 0.00 0.00 60.65 59.88 3b8i s ILE 46 Cb 0.05 -0.90 0.05 0.00 0.15 0.00 0.00 42.46 41.81 3b8i s ILE 46 CO 0.15 0.31 0.49 -0.22 -2.11 0.00 0.00 174.94 173.56 3b8i s LEU 47 N 0.55 5.14 0.23 8.50 2.96 0.39 -1.53 118.68 134.92 3b8i s LEU 47 Ca -0.11 -0.97 -0.22 0.00 -0.22 0.00 0.00 54.13 52.62 3b8i s LEU 47 Cb -0.14 -2.34 -0.08 0.00 0.50 0.00 0.00 46.19 44.13 3b8i s LEU 47 CO 0.02 -0.71 0.77 -0.83 -1.32 0.00 0.00 176.35 174.28 3b8i s GLY 48 N 2.36 2.69 0.27 7.98 0.00 -1.26 -0.81 107.32 118.56 3b8i s GLY 48 Ca 0.11 0.25 0.06 0.00 0.00 0.00 0.00 44.72 45.14 3b8i s GLY 48 CO 0.11 0.64 1.64 -1.33 0.00 0.00 0.00 173.10 174.16 3b8i h GLY 49 N 3.51 0.23 1.01 0.20 0.00 -1.98 -2.28 103.07 103.77 3b8i h GLY 49 Ca -0.48 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 46.61 3b8i h GLY 49 CO 0.65 0.22 0.53 1.48 0.00 0.00 0.00 176.54 179.42 3b8i h SER 50 N 0.17 0.93 -0.10 0.19 4.64 -1.94 -1.79 113.55 115.65 3b8i h SER 50 Ca 0.01 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 3b8i h SER 50 Cb 0.95 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3b8i h SER 50 CO 0.08 0.68 -0.57 0.58 -0.87 0.00 0.00 176.83 176.72 3b8i h VAL 51 N 1.09 1.35 -0.95 0.95 2.07 -1.93 -1.14 116.25 117.70 3b8i h VAL 51 Ca 0.29 -1.88 0.18 0.00 0.82 0.00 0.00 66.70 66.11 3b8i h VAL 51 Cb -0.11 2.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.74 3b8i h VAL 51 CO -0.06 0.57 0.54 0.00 0.02 0.00 0.00 177.57 178.63 3b8i h ALA 52 N 0.47 1.53 -0.34 1.67 0.00 -1.36 0.57 119.26 121.80 3b8i h ALA 52 Ca -0.04 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3b8i h ALA 52 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3b8i h ALA 52 CO 0.12 -0.09 -0.38 1.03 0.00 0.00 0.00 179.25 179.93 3b8i h SER 53 N 0.69 0.86 -0.08 0.00 0.87 -1.01 0.11 113.55 114.98 3b8i h SER 53 Ca 0.54 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3b8i h SER 53 Cb 0.84 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 3b8i h SER 53 CO -0.39 1.14 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.85 3b8i h LEU 54 N 0.67 -0.39 -0.32 2.23 3.38 -0.51 -2.18 115.31 118.19 3b8i h LEU 54 Ca 0.06 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3b8i h LEU 54 Cb 0.94 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3b8i h LEU 54 CO 0.09 -0.17 -0.18 1.56 0.09 0.00 0.00 178.44 179.83 3b8i h GLN 55 N -0.18 0.68 0.21 1.13 4.20 -0.60 -1.19 115.11 119.36 3b8i h GLN 55 Ca 0.07 -0.31 -0.32 0.00 0.06 0.00 0.00 58.65 58.16 3b8i h GLN 55 Cb 0.28 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.08 3b8i h GLN 55 CO -0.18 0.90 -1.39 0.28 -0.67 0.00 0.00 178.83 177.77 3b8i h VAL 56 N 0.44 1.32 0.00 -0.54 2.07 -0.89 -3.42 116.25 115.24 3b8i h VAL 56 Ca 0.07 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3b8i h VAL 56 Cb 0.71 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3b8i h VAL 56 CO 0.05 0.81 -0.29 0.18 0.02 0.00 0.00 177.57 178.34 3b8i n LEU 57 N -3.70 0.00 -3.87 2.57 4.77 -0.87 -5.03 117.00 110.86 3b8i n LEU 57 Ca -0.15 -0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.39 3b8i n LEU 57 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 3b8i n LEU 57 CO 0.59 0.00 -0.14 0.00 -1.33 0.00 0.00 177.39 176.51 3b8i n ALA 58 N -0.82 -1.94 -2.48 -1.18 0.00 -0.45 -4.99 120.51 108.65 3b8i n ALA 58 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 3b8i n ALA 58 Cb 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 19.45 17.43 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 -3.79 1.97 1.30 0.00 0.00 -0.92 -4.14 121.76 116.18 3b8i s ALA 59 Ca 0.07 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 3b8i s ALA 59 Cb -0.04 -0.22 0.32 0.00 0.00 0.00 0.00 23.12 23.19 3b8i s ALA 59 CO 0.86 0.29 1.00 -2.14 0.00 0.00 0.00 175.76 175.77 3b8i s PRO 60 N -2.47 -1.96 -1.33 0.00 0.02 -1.26 -3.64 135.00 124.37 3b8i s PRO 60 Ca 0.13 0.27 -0.07 0.00 0.02 0.00 0.00 61.00 61.35 3b8i s PRO 60 Cb -0.07 -1.48 0.12 0.00 0.02 0.00 0.00 34.50 33.08 3b8i s PRO 60 CO 0.06 -4.27 2.31 -3.47 -0.33 0.00 0.00 177.00 171.30 3b8i n ASP 61 N -5.22 7.44 -0.93 2.53 2.03 -1.26 -4.61 116.55 116.52 3b8i n ASP 61 Ca 0.10 -3.10 0.02 0.00 0.52 0.00 0.00 54.79 52.33 3b8i n ASP 61 Cb 0.58 -1.40 0.22 0.00 -0.72 0.00 0.00 41.12 39.80 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 2.30 0.89 -3.95 -0.67 3.72 -1.26 -4.96 117.46 113.53 3b8i n PHE 62 Ca 0.58 -1.26 -0.30 0.00 -0.05 0.00 0.00 57.45 56.42 3b8i n PHE 62 Cb 0.27 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 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 -0.93 -2.21 -0.07 4.37 0.00 -1.26 -4.75 120.51 115.65 3b8i n ALA 63 Ca 0.27 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3b8i n ALA 63 Cb 0.93 -2.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.08 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 -4.46 1.01 -4.70 0.00 4.77 -1.26 -4.91 117.00 107.46 3b8i n LEU 64 Ca -0.24 0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 3b8i n LEU 64 Cb 0.65 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.77 3b8i n LEU 64 CO 0.74 0.58 0.85 -0.38 -1.33 0.00 0.00 177.39 177.86 3b8i n ILE 65 N -2.99 3.17 -2.98 -0.08 5.41 -1.26 -5.03 119.36 115.60 3b8i n ILE 65 Ca -0.31 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.68 3b8i n ILE 65 Cb 1.09 -1.52 -0.01 0.00 -0.71 0.00 0.00 39.64 38.49 3b8i n ILE 65 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3b8i s THR 66 N -1.28 4.98 0.26 1.39 -4.23 -1.26 -4.95 115.64 110.56 3b8i s THR 66 Ca 0.67 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.15 3b8i s THR 66 Cb -0.46 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 69.78 3b8i s THR 66 CO 0.53 -0.68 1.73 0.25 -0.54 0.00 0.00 174.62 175.91 3b8i h LEU 67 N 0.62 0.35 -0.29 4.79 5.85 -1.95 -1.46 115.31 123.21 3b8i h LEU 67 Ca -0.48 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3b8i h LEU 67 Cb 1.21 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3b8i h LEU 67 CO 0.62 0.10 0.19 0.28 -0.34 0.00 0.00 178.44 179.28 3b8i h SER 68 N 0.47 0.32 -0.41 1.25 0.02 -1.98 0.36 113.55 113.57 3b8i h SER 68 Ca 0.47 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.42 3b8i h SER 68 Cb 0.77 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3b8i h SER 68 CO -0.44 0.23 0.25 -0.33 -1.14 0.00 0.00 176.83 175.41 3b8i h GLU 69 N 0.38 0.56 -0.74 3.45 5.08 -1.85 0.10 114.58 121.55 3b8i h GLU 69 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3b8i h GLU 69 Cb -0.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3b8i h GLU 69 CO -0.03 0.40 0.40 0.35 -1.00 0.00 0.00 179.01 179.13 3b8i h PHE 70 N 0.55 1.03 -0.38 4.33 3.57 -1.00 -2.38 116.94 122.65 3b8i h PHE 70 Ca 0.15 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 3b8i h PHE 70 Cb -0.02 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3b8i h PHE 70 CO -0.04 0.73 -0.12 0.28 -2.23 0.00 0.00 178.31 176.93 3b8i h VAL 71 N 1.03 1.25 -0.55 1.41 2.07 -0.59 -2.11 116.25 118.75 3b8i h VAL 71 Ca 0.26 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.70 3b8i h VAL 71 Cb 0.04 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3b8i h VAL 71 CO -0.04 0.38 0.27 -0.08 0.02 0.00 0.00 177.57 178.12 3b8i h GLU 72 N 0.62 0.51 -0.12 1.57 4.57 -0.54 0.60 114.58 121.79 3b8i h GLU 72 Ca 0.11 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3b8i h GLU 72 Cb 0.56 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3b8i h GLU 72 CO 0.04 0.34 0.05 1.96 -1.18 0.00 0.00 179.01 180.21 3b8i h GLN 73 N 0.52 0.12 -0.99 1.92 1.08 -1.11 -0.70 115.11 115.95 3b8i h GLN 73 Ca 0.25 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.50 3b8i h GLN 73 Cb 0.18 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.52 3b8i h GLN 73 CO -0.18 0.08 0.64 0.00 -0.95 0.00 0.00 178.83 178.41 3b8i h ALA 74 N 1.06 1.35 -0.38 3.87 0.00 -0.97 -2.93 119.26 121.25 3b8i h ALA 74 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3b8i h ALA 74 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3b8i h ALA 74 CO -0.04 0.47 0.19 1.15 0.00 0.00 0.00 179.25 181.03 3b8i h THR 75 N 1.19 1.16 -0.78 0.00 2.02 0.87 -0.09 112.91 117.28 3b8i h THR 75 Ca 0.41 -0.45 0.10 0.00 0.77 0.00 0.00 66.41 67.24 3b8i h THR 75 Cb 0.10 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.19 3b8i h THR 75 CO -0.15 0.17 0.41 0.03 0.37 0.00 0.00 175.52 176.35 3b8i h ARG 76 N 0.48 0.65 -0.18 6.66 3.08 -1.00 -2.52 114.38 121.56 3b8i h ARG 76 Ca 0.13 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3b8i h ARG 76 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3b8i h ARG 76 CO -0.02 0.43 -0.05 0.82 -1.07 0.00 0.00 179.97 180.08 3b8i h ILE 77 N 0.67 1.29 -0.23 2.04 2.04 -1.33 -3.09 117.51 118.90 3b8i h ILE 77 Ca 0.39 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.28 3b8i h ILE 77 Cb 0.43 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3b8i h ILE 77 CO -0.28 0.31 0.42 1.23 0.00 0.00 0.00 178.15 179.83 3b8i h GLY 78 N 0.06 0.00 2.00 5.37 0.00 -0.57 -1.19 103.07 108.74 3b8i h GLY 78 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 3b8i h GLY 78 CO 0.02 0.00 -0.43 3.21 0.00 0.00 0.00 176.54 179.34 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 0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3b8i h ARG 79 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3b8i h ARG 79 CO -0.00 0.43 -1.40 1.33 -1.07 0.00 0.00 179.97 179.26 3b8i n VAL 80 N -3.38 0.13 -1.74 2.04 0.24 -0.83 -5.07 118.33 109.72 3b8i n VAL 80 Ca 0.01 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 3b8i n VAL 80 Cb 0.61 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 3b8i n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b8i s ALA 81 N -2.46 3.72 -1.25 2.33 0.00 -0.51 -4.87 121.76 118.71 3b8i s ALA 81 Ca -0.03 1.39 0.12 0.00 0.00 0.00 0.00 51.96 53.44 3b8i s ALA 81 Cb 0.04 -3.77 0.23 0.00 0.00 0.00 0.00 23.12 19.63 3b8i s ALA 81 CO 0.32 -1.27 1.11 0.54 0.00 0.00 0.00 175.76 176.47 3b8i n ARG 82 N 5.99 1.91 -4.37 0.00 1.74 -1.26 -4.93 116.66 115.75 3b8i n ARG 82 Ca 0.18 -1.72 -0.22 0.00 -0.77 0.00 0.00 57.85 55.31 3b8i n ARG 82 Cb 0.39 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.01 2.22 0.35 0.55 2.34 -1.26 -5.00 118.68 116.87 3b8i s LEU 83 Ca 0.21 -0.56 -0.28 0.00 0.06 0.00 0.00 54.13 53.55 3b8i s LEU 83 Cb 0.12 -0.74 -0.11 0.00 -0.56 0.00 0.00 46.19 44.90 3b8i s LEU 83 CO 0.17 0.05 1.44 -2.16 -1.06 0.00 0.00 176.35 174.78 3b8i s PRO 84 N -1.45 4.18 -0.08 1.48 0.04 -1.26 -4.83 135.00 133.08 3b8i s PRO 84 Ca 0.03 2.46 0.03 0.00 0.04 0.00 0.00 61.00 63.57 3b8i s PRO 84 Cb -0.09 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.45 3b8i s PRO 84 CO 0.02 -0.44 -0.18 0.08 0.04 0.00 0.00 177.00 176.53 3b8i s VAL 85 N -1.03 1.59 -0.09 -0.36 1.01 -1.26 -1.45 120.40 118.82 3b8i s VAL 85 Ca 0.52 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3b8i s VAL 85 Cb -0.45 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 3b8i s VAL 85 CO 0.59 0.46 0.47 -0.63 0.00 0.00 0.00 175.10 175.98 3b8i s ILE 86 N 0.51 5.13 -0.17 2.22 1.01 -0.49 -1.15 121.20 128.26 3b8i s ILE 86 Ca -0.17 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 3b8i s ILE 86 Cb -0.17 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3b8i s ILE 86 CO 0.06 0.39 0.05 0.00 0.00 0.00 0.00 174.94 175.44 3b8i s ALA 87 N 0.22 3.40 -0.71 9.38 0.00 0.36 -0.46 121.76 133.95 3b8i s ALA 87 Ca 0.26 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 51.20 3b8i s ALA 87 Cb -0.16 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.14 3b8i s ALA 87 CO 0.11 0.26 1.25 0.34 0.00 0.00 0.00 175.76 177.72 3b8i s ASP 88 N 0.14 6.21 -0.22 0.00 2.15 0.01 -1.79 116.67 123.17 3b8i s ASP 88 Ca 0.04 -0.39 0.08 0.00 0.43 0.00 0.00 52.55 52.72 3b8i s ASP 88 Cb -0.12 -2.55 0.56 0.00 -0.30 0.00 0.00 42.92 40.51 3b8i s ASP 88 CO 0.01 -1.77 1.48 0.00 -0.17 0.00 0.00 175.17 174.72 3b8i n ALA 89 N 9.16 3.87 -0.18 3.66 0.00 -0.86 -4.11 120.51 132.05 3b8i n ALA 89 Ca 0.04 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.88 3b8i n ALA 89 Cb 0.49 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.12 0.00 -0.28 0.00 9.92 -1.25 -1.30 116.55 123.77 3b8i n ASP 90 Ca 0.27 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.58 3b8i n ASP 90 Cb 1.06 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 41.73 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 0.17 -0.83 1.24 1.44 -1.26 -0.92 115.22 129.07 3b8i n HIS 91 Ca 0.00 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 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 0.81 0.51 2.41 -1.39 0.00 -0.42 -4.25 105.19 102.87 3b8i n GLY 92 Ca 0.08 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.83 -1.10 0.00 1.61 4.01 -1.26 -2.68 117.16 114.91 3b8i n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3b8i n TYR 93 Cb 0.00 -3.70 0.00 0.00 -0.31 0.00 0.00 39.34 35.33 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 -0.97 -0.12 0.00 2.72 0.00 -1.26 -4.85 105.19 100.71 3b8i n GLY 94 Ca -0.22 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.23 1.61 0.23 -1.26 -4.70 115.26 111.37 3b8i n ASN 95 Ca 0.00 -0.93 0.12 0.00 -0.53 0.00 0.00 54.58 53.24 3b8i n ASN 95 Cb 0.00 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.97 1.93 -0.16 -2.53 0.00 -1.91 0.32 119.26 115.94 3b8i h ALA 96 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3b8i h ALA 96 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3b8i h ALA 96 CO 0.00 -0.11 0.04 -0.07 0.00 0.00 0.00 179.25 179.10 3b8i h LEU 97 N 0.00 0.25 -1.02 0.00 4.07 -1.95 -2.67 115.31 113.99 3b8i h LEU 97 Ca 0.04 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 3b8i h LEU 97 Cb 0.18 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 3b8i h LEU 97 CO -0.00 0.42 0.43 0.78 -1.08 0.00 0.00 178.44 178.99 3b8i h ASN 98 N 0.06 1.00 -0.98 -0.43 4.21 -1.72 -2.69 115.58 115.03 3b8i h ASN 98 Ca 0.05 -0.09 0.15 0.00 1.21 0.00 0.00 56.30 57.62 3b8i h ASN 98 Cb 0.28 -0.25 -0.09 0.00 -1.12 0.00 0.00 38.32 37.13 3b8i h ASN 98 CO 0.00 0.81 0.60 0.58 -1.29 0.00 0.00 177.43 178.13 3b8i h VAL 99 N 1.12 0.82 -0.49 2.81 2.07 -0.72 -1.15 116.25 120.70 3b8i h VAL 99 Ca 0.28 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3b8i h VAL 99 Cb 0.04 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 3b8i h VAL 99 CO -0.04 0.16 0.12 0.24 0.02 0.00 0.00 177.57 178.06 3b8i h MET 100 N 0.87 0.79 -0.92 1.57 2.86 -1.13 -2.20 114.93 116.77 3b8i h MET 100 Ca 0.52 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3b8i h MET 100 Cb 0.65 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 3b8i h MET 100 CO -0.32 0.77 0.59 0.00 1.06 0.00 0.00 176.91 179.01 3b8i h ARG 101 N 0.68 1.23 -0.54 1.72 3.08 -1.35 -1.66 114.38 117.52 3b8i h ARG 101 Ca 0.16 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.19 3b8i h ARG 101 Cb 0.33 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3b8i h ARG 101 CO 0.00 0.83 0.21 1.15 -1.07 0.00 0.00 179.97 181.09 3b8i h THR 102 N 1.26 0.83 -0.09 2.04 2.02 -0.74 0.23 112.91 118.46 3b8i h THR 102 Ca 0.34 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 3b8i h THR 102 Cb -0.11 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3b8i h THR 102 CO -0.07 0.07 -0.13 0.58 0.37 0.00 0.00 175.52 176.35 3b8i h VAL 103 N 0.40 1.39 -0.30 3.16 2.07 -1.17 -1.61 116.25 120.19 3b8i h VAL 103 Ca 0.26 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.49 3b8i h VAL 103 Cb 0.28 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 3b8i h VAL 103 CO -0.25 0.38 -0.20 0.58 0.02 0.00 0.00 177.57 178.10 3b8i h VAL 104 N -0.21 0.44 0.06 2.57 2.07 -0.96 0.55 116.25 120.77 3b8i h VAL 104 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3b8i h VAL 104 Cb 0.68 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3b8i h VAL 104 CO 0.03 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.26 3b8i h GLU 105 N -0.18 -0.08 -0.40 1.57 4.39 -0.57 -1.43 114.58 117.88 3b8i h GLU 105 Ca 0.16 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.72 3b8i h GLU 105 Cb 0.42 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3b8i h GLU 105 CO -0.40 0.01 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.08 3b8i h LEU 106 N -0.15 0.92 -0.75 1.33 3.38 -1.20 -0.22 115.31 118.62 3b8i h LEU 106 Ca -0.01 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3b8i h LEU 106 Cb 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3b8i h LEU 106 CO 0.01 1.16 0.41 -0.08 0.09 0.00 0.00 178.44 180.03 3b8i h GLU 107 N 0.74 1.05 -0.64 1.13 4.81 -0.93 -2.07 114.58 118.67 3b8i h GLU 107 Ca 0.08 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3b8i h GLU 107 Cb 0.88 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3b8i h GLU 107 CO 0.08 0.78 0.05 -0.09 -0.73 0.00 0.00 179.01 179.10 3b8i h ARG 108 N 1.04 1.10 -0.88 1.92 2.43 -1.02 -2.37 114.38 116.60 3b8i h ARG 108 Ca 0.26 -0.33 0.25 0.00 -0.81 0.00 0.00 59.98 59.36 3b8i h ARG 108 Cb 0.04 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 3b8i h ARG 108 CO -0.04 1.04 0.63 0.00 -1.51 0.00 0.00 179.97 180.08 3b8i h ALA 109 N 1.02 2.74 0.00 2.80 0.00 -0.71 -3.46 119.26 121.64 3b8i h ALA 109 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3b8i h ALA 109 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3b8i h ALA 109 CO 0.02 -1.00 0.00 0.41 0.00 0.00 0.00 179.25 178.68 3b8i n GLY 110 N -1.68 1.23 3.79 0.00 0.00 -0.81 -4.41 105.19 103.31 3b8i n GLY 110 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3b8i n GLY 110 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3b8i s ILE 111 N -2.00 3.70 -0.21 -0.61 -5.25 -1.06 -4.84 121.20 110.93 3b8i s ILE 111 Ca 0.00 1.02 0.18 0.00 -0.99 0.00 0.00 60.65 60.86 3b8i s ILE 111 Cb 0.00 -3.42 0.06 0.00 2.95 0.00 0.00 42.46 42.05 3b8i s ILE 111 CO 0.00 -0.27 1.29 0.00 -1.79 0.00 0.00 174.94 174.17 3b8i h ALA 112 N 1.35 0.71 -2.50 2.27 0.00 -1.47 -3.44 119.26 116.17 3b8i h ALA 112 Ca -0.49 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 3b8i h ALA 112 Cb 1.23 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 3b8i h ALA 112 CO 0.58 0.50 0.20 0.00 0.00 0.00 0.00 179.25 180.54 3b8i s ALA 113 N -3.05 -1.69 0.01 0.00 0.00 -1.19 -2.25 121.76 113.60 3b8i s ALA 113 Ca 0.02 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 3b8i s ALA 113 Cb 0.08 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3b8i s ALA 113 CO 0.75 -0.57 0.19 -0.48 0.00 0.00 0.00 175.76 175.65 3b8i s LEU 114 N -1.99 1.36 -0.12 0.00 0.05 -0.75 -0.49 118.68 116.75 3b8i s LEU 114 Ca -0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 54.13 53.94 3b8i s LEU 114 Cb -0.01 0.87 -0.03 0.00 -2.05 0.00 0.00 46.19 44.98 3b8i s LEU 114 CO -0.02 -0.43 -0.06 0.42 -0.55 0.00 0.00 176.35 175.71 3b8i s THR 115 N -1.62 3.70 -0.11 5.48 -4.23 -0.74 -1.17 115.64 116.96 3b8i s THR 115 Ca -0.13 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3b8i s THR 115 Cb -0.06 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 3b8i s THR 115 CO 0.01 0.54 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.86 3b8i s ILE 116 N -0.12 3.01 0.29 2.99 -1.09 -0.53 -2.03 121.20 123.72 3b8i s ILE 116 Ca 0.01 -0.69 0.10 0.00 -2.23 0.00 0.00 60.65 57.84 3b8i s ILE 116 Cb -0.13 -2.24 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 3b8i s ILE 116 CO 0.03 0.54 -0.02 -1.83 -1.23 0.00 0.00 174.94 172.43 3b8i s GLU 117 N 0.09 2.18 -0.34 2.79 -1.05 -0.09 -0.68 118.70 121.60 3b8i s GLU 117 Ca -0.06 -1.53 0.09 0.00 -0.15 0.00 0.00 54.97 53.32 3b8i s GLU 117 Cb -0.15 -2.07 0.70 0.00 -0.44 0.00 0.00 34.13 32.17 3b8i s GLU 117 CO 0.05 0.30 1.78 -0.40 0.95 0.00 0.00 175.26 177.94 3b8i n ASP 118 N -0.89 4.41 -4.76 0.83 5.68 -1.10 -4.36 116.55 116.36 3b8i n ASP 118 Ca -0.06 -3.33 -0.40 0.00 -0.50 0.00 0.00 54.79 50.50 3b8i n ASP 118 Cb 0.60 -0.74 -0.04 0.00 -1.14 0.00 0.00 41.12 39.79 3b8i n ASP 118 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3b8i s THR 119 N -3.06 3.53 -0.40 2.12 2.01 -1.26 -0.99 115.64 117.58 3b8i s THR 119 Ca 0.54 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.79 3b8i s THR 119 Cb 0.44 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.98 3b8i s THR 119 CO 0.12 0.36 1.40 -0.22 -0.69 0.00 0.00 174.62 175.59 3b8i s LEU 120 N -1.39 3.61 0.00 4.42 2.96 0.18 -4.65 118.68 123.81 3b8i s LEU 120 Ca 0.44 0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 3b8i s LEU 120 Cb -0.32 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.83 3b8i s LEU 120 CO 0.40 -1.40 0.01 -0.76 -1.32 0.00 0.00 176.35 173.28 3b8i s LEU 121 N 5.32 2.00 0.95 -0.68 1.43 -1.26 -4.32 118.68 122.13 3b8i s LEU 121 Ca 0.61 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 3b8i s LEU 121 Cb -0.14 0.11 0.16 0.00 0.03 0.00 0.00 46.19 46.36 3b8i s LEU 121 CO 0.32 -0.12 1.14 -2.16 0.23 0.00 0.00 176.35 175.76 3b8i s PRO 122 N -0.53 0.79 0.05 1.29 0.04 -1.26 -4.87 135.00 130.51 3b8i s PRO 122 Ca -0.06 0.25 -0.38 0.00 0.04 0.00 0.00 61.00 60.85 3b8i s PRO 122 Cb -0.04 -1.80 -0.19 0.00 0.04 0.00 0.00 34.50 32.51 3b8i s PRO 122 CO -0.00 -2.43 1.04 0.00 0.04 0.00 0.00 177.00 175.65 3b8i n ALA 123 N -3.92 -3.04 -2.75 8.56 0.00 -1.26 -4.94 120.51 113.16 3b8i n ALA 123 Ca 0.07 0.56 -0.28 0.00 0.00 0.00 0.00 53.44 53.79 3b8i n ALA 123 Cb 0.59 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 3b8i n ALA 123 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3b8i s GLN 124 N -0.09 3.54 0.56 0.00 -2.07 -1.26 -5.06 119.66 115.27 3b8i s GLN 124 Ca 0.86 -0.29 -0.20 0.00 -1.82 0.00 0.00 55.36 53.90 3b8i s GLN 124 Cb -1.16 -2.85 -0.06 0.00 -1.09 0.00 0.00 33.01 27.85 3b8i s GLN 124 CO 0.55 0.42 1.02 0.34 -1.32 0.00 0.00 175.29 176.30 3b8i n PHE 125 N -0.48 1.07 0.00 9.60 7.35 -1.26 -3.68 117.46 130.07 3b8i n PHE 125 Ca -0.04 0.46 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 3b8i n PHE 125 Cb 0.53 -2.18 0.00 0.00 0.35 0.00 0.00 39.48 38.18 3b8i n PHE 125 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3b8i n GLY 126 N 1.20 1.02 3.53 7.13 0.00 -0.97 -4.86 105.19 112.23 3b8i n GLY 126 Ca 0.12 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3b8i n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b8i n ARG 127 N 0.00 0.52 0.27 1.61 3.00 -1.24 -4.82 116.66 115.99 3b8i n ARG 127 Ca 0.00 -0.15 0.18 0.00 -0.01 0.00 0.00 57.85 57.86 3b8i n ARG 127 Cb 0.00 -2.61 0.77 0.00 0.00 0.00 0.00 32.46 30.62 3b8i n ARG 127 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3b8i h LYS 128 N 15.12 0.00 -7.09 5.56 1.57 -1.89 -3.43 116.57 126.42 3b8i h LYS 128 Ca -0.11 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.20 3b8i h LYS 128 Cb 1.22 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.58 3b8i h LYS 128 CO 1.26 0.00 0.16 -1.54 -0.57 0.00 0.00 179.45 178.76 3b8i s SER 129 N -5.30 5.61 -0.38 0.86 1.04 -1.26 -5.08 113.70 109.19 3b8i s SER 129 Ca 0.00 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.07 3b8i s SER 129 Cb 0.10 -1.69 0.08 0.00 0.10 0.00 0.00 66.02 64.61 3b8i s SER 129 CO 0.48 -1.04 0.17 -0.89 0.98 0.00 0.00 173.24 172.94 3b8i s THR 130 N -2.96 3.56 0.69 2.02 2.01 -1.26 -4.85 115.64 114.85 3b8i s THR 130 Ca 0.53 -1.63 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 3b8i s THR 130 Cb -0.10 -3.24 0.11 0.00 0.01 0.00 0.00 72.50 69.27 3b8i s THR 130 CO 0.45 -0.47 0.95 -1.81 -0.69 0.00 0.00 174.62 173.05 3b8i s ASP 131 N 1.77 4.54 0.01 3.53 1.01 -1.26 -4.86 116.67 121.40 3b8i s ASP 131 Ca 0.03 -0.26 -0.00 0.00 0.71 0.00 0.00 52.55 53.02 3b8i s ASP 131 Cb -0.22 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 3b8i s ASP 131 CO -0.01 -1.72 0.10 -0.76 0.21 0.00 0.00 175.17 172.99 3b8i s LEU 132 N -5.08 3.98 0.75 1.23 1.43 -1.26 0.50 118.68 120.22 3b8i s LEU 132 Ca 0.64 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.77 3b8i s LEU 132 Cb -0.06 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 43.83 3b8i s LEU 132 CO 0.43 0.26 1.17 0.27 0.23 0.00 0.00 176.35 178.71 3b8i s ILE 133 N -1.25 2.52 0.74 -0.59 -4.36 -0.16 -4.74 121.20 113.36 3b8i s ILE 133 Ca 0.25 0.23 -0.15 0.00 -0.26 0.00 0.00 60.65 60.72 3b8i s ILE 133 Cb -0.12 -2.71 0.05 0.00 1.25 0.00 0.00 42.46 40.93 3b8i s ILE 133 CO 0.16 -0.16 1.20 0.00 0.24 0.00 0.00 174.94 176.38 3b8i h VAL 135 N -0.40 0.48 0.24 0.00 3.04 -1.98 -2.24 116.25 115.39 3b8i h VAL 135 Ca -0.47 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 64.90 3b8i h VAL 135 Cb 1.29 0.92 0.04 0.00 -2.01 0.00 0.00 31.29 31.53 3b8i h VAL 135 CO 0.49 0.00 -1.43 1.05 -1.01 0.00 0.00 177.57 176.68 3b8i h GLU 136 N 0.00 0.51 -0.42 4.17 9.09 -1.99 -0.18 114.58 125.76 3b8i h GLU 136 Ca 0.04 -0.88 -0.00 0.00 0.05 0.00 0.00 59.36 58.57 3b8i h GLU 136 Cb 0.23 0.33 -0.02 0.00 -1.65 0.00 0.00 28.75 27.64 3b8i h GLU 136 CO -0.00 1.42 0.25 1.49 0.05 0.00 0.00 179.01 182.22 3b8i h GLU 137 N 0.09 0.57 0.13 1.06 4.81 -1.81 -1.20 114.58 118.22 3b8i h GLU 137 Ca -0.25 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3b8i h GLU 137 Cb 2.11 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.37 3b8i h GLU 137 CO 0.26 0.41 -0.06 0.78 -0.73 0.00 0.00 179.01 179.66 3b8i h GLY 138 N 0.63 -0.19 1.01 1.92 0.00 -1.18 -0.60 103.07 104.67 3b8i h GLY 138 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3b8i h GLY 138 CO -0.03 -0.07 0.37 -2.08 0.00 0.00 0.00 176.54 174.73 3b8i h VAL 139 N -0.22 1.24 -0.76 4.60 2.07 -0.80 -2.11 116.25 120.26 3b8i h VAL 139 Ca -0.02 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3b8i h VAL 139 Cb 0.18 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3b8i h VAL 139 CO 0.03 0.27 0.39 1.23 0.02 0.00 0.00 177.57 179.51 3b8i h GLY 140 N 1.03 1.16 0.63 2.17 0.00 -1.10 -1.55 103.07 105.41 3b8i h GLY 140 Ca 0.26 -0.56 0.04 0.00 0.00 0.00 0.00 47.33 47.07 3b8i h GLY 140 CO -0.03 0.53 0.02 0.50 0.00 0.00 0.00 176.54 177.56 3b8i h LYS 141 N 1.07 0.10 -0.21 4.80 1.57 -0.92 -2.18 116.57 120.80 3b8i h LYS 141 Ca 0.26 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 3b8i h LYS 141 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3b8i h LYS 141 CO -0.04 0.07 -0.34 0.82 -0.57 0.00 0.00 179.45 179.39 3b8i h ILE 142 N 0.10 1.29 -0.36 1.86 1.08 -1.21 -2.18 117.51 118.09 3b8i h ILE 142 Ca 0.12 -1.43 -0.14 0.00 -0.39 0.00 0.00 64.86 63.02 3b8i h ILE 142 Cb 0.15 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 3b8i h ILE 142 CO -0.19 0.45 -0.33 0.03 -0.69 0.00 0.00 178.15 177.41 3b8i h ARG 143 N 0.38 0.86 -0.26 2.37 3.08 -1.24 -2.46 114.38 117.12 3b8i h ARG 143 Ca 0.04 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 3b8i h ARG 143 Cb 0.78 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3b8i h ARG 143 CO 0.06 1.09 -0.09 0.00 -1.07 0.00 0.00 179.97 179.96 3b8i h ALA 144 N 0.76 1.36 -0.15 0.04 0.00 -1.23 -1.52 119.26 118.53 3b8i h ALA 144 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3b8i h ALA 144 Cb 0.91 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3b8i h ALA 144 CO 0.08 0.43 0.02 0.00 0.00 0.00 0.00 179.25 179.79 3b8i h ALA 145 N 1.51 0.20 -0.27 0.00 0.00 -1.31 -1.49 119.26 117.89 3b8i h ALA 145 Ca 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3b8i h ALA 145 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3b8i h ALA 145 CO 0.02 -0.13 -0.15 -0.07 0.00 0.00 0.00 179.25 178.91 3b8i h LEU 146 N 0.03 0.46 -0.53 0.00 3.38 -1.13 -2.53 115.31 114.99 3b8i h LEU 146 Ca 0.05 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3b8i h LEU 146 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3b8i h LEU 146 CO 0.00 0.64 0.02 -0.08 0.09 0.00 0.00 178.44 179.11 3b8i h GLU 147 N 0.44 0.92 0.00 1.13 4.57 -1.21 -3.09 114.58 117.33 3b8i h GLU 147 Ca 0.08 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 3b8i h GLU 147 Cb 0.53 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3b8i h GLU 147 CO 0.03 0.93 -0.12 0.00 -1.18 0.00 0.00 179.01 178.68 3b8i h ALA 148 N 0.96 1.12 -2.89 2.92 0.00 -1.02 -3.45 119.26 116.90 3b8i h ALA 148 Ca 0.15 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.43 3b8i h ALA 148 Cb 0.50 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.35 3b8i h ALA 148 CO 0.02 0.15 0.65 0.50 0.00 0.00 0.00 179.25 180.57 3b8i s ARG 149 N -3.92 4.24 -0.05 0.00 3.52 -0.97 -4.59 118.95 117.18 3b8i s ARG 149 Ca -0.01 2.25 -0.09 0.00 -0.13 0.00 0.00 55.73 57.75 3b8i s ARG 149 Cb 0.11 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 3b8i s ARG 149 CO 0.58 -0.29 -0.17 0.28 -0.81 0.00 0.00 175.30 174.88 3b8i n VAL 150 N 0.61 1.29 -2.28 7.11 0.31 -1.26 -4.92 118.33 119.19 3b8i n VAL 150 Ca 0.01 0.21 -0.43 0.00 -0.01 0.00 0.00 64.34 64.12 3b8i n VAL 150 Cb 0.42 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 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 -6.00 6.54 0.29 4.52 -1.08 -1.26 -4.88 116.67 114.81 3b8i s ASP 151 Ca -0.15 1.39 0.24 0.00 -0.52 0.00 0.00 52.55 53.51 3b8i s ASP 151 Cb 0.03 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.99 3b8i s ASP 151 CO 0.22 -1.16 1.73 1.55 0.52 0.00 0.00 175.17 178.03 3b8i h PRO 152 N 9.94 0.00 0.00 4.34 0.13 -2.02 -1.55 132.00 142.85 3b8i h PRO 152 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3b8i h PRO 152 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3b8i h PRO 152 CO 1.02 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.79 3b8i n ALA 153 N -1.80 1.83 -1.96 -0.56 0.00 -1.26 -4.73 120.51 112.04 3b8i n ALA 153 Ca 0.02 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3b8i n ALA 153 Cb 0.21 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 3b8i n ALA 153 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3b8i s LEU 154 N -3.85 4.36 -0.21 0.00 2.96 -0.59 -4.72 118.68 116.63 3b8i s LEU 154 Ca 0.07 2.43 -0.22 0.00 -0.22 0.00 0.00 54.13 56.19 3b8i s LEU 154 Cb 0.11 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 3b8i s LEU 154 CO 0.40 -0.88 0.72 -0.89 -1.32 0.00 0.00 176.35 174.37 3b8i s THR 155 N 2.84 4.94 -0.27 3.68 2.01 -0.95 -5.01 115.64 122.87 3b8i s THR 155 Ca 0.73 1.36 -0.07 0.00 0.31 0.00 0.00 61.69 64.01 3b8i s THR 155 Cb -0.38 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3b8i s THR 155 CO 0.32 0.04 0.08 -0.63 -0.69 0.00 0.00 174.62 173.74 3b8i s ILE 156 N 2.27 4.22 -0.14 1.82 -1.09 -1.26 -1.80 121.20 125.22 3b8i s ILE 156 Ca 0.32 -0.39 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3b8i s ILE 156 Cb -0.16 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3b8i s ILE 156 CO 0.10 0.21 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.26 3b8i s ILE 157 N 1.57 2.97 -0.21 2.92 1.01 -0.31 -0.67 121.20 128.48 3b8i s ILE 157 Ca 0.05 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 3b8i s ILE 157 Cb -0.16 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3b8i s ILE 157 CO 0.03 0.52 0.46 0.00 0.00 0.00 0.00 174.94 175.95 3b8i s ALA 158 N 0.53 3.55 -0.04 9.38 0.00 -0.42 -1.45 121.76 133.32 3b8i s ALA 158 Ca -0.09 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3b8i s ALA 158 Cb -0.16 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 3b8i s ALA 158 CO 0.04 -0.40 -0.06 0.50 0.00 0.00 0.00 175.76 175.84 3b8i s ARG 159 N 1.54 2.69 0.22 0.00 3.52 0.14 -0.46 118.95 126.60 3b8i s ARG 159 Ca 0.21 -0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 55.15 3b8i s ARG 159 Cb -0.15 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 3b8i s ARG 159 CO 0.09 0.64 0.25 -0.08 -0.81 0.00 0.00 175.30 175.39 3b8i s THR 160 N -0.91 0.00 -0.41 4.11 -1.32 -0.59 -2.72 115.64 113.80 3b8i s THR 160 Ca 0.15 -1.79 -0.09 0.00 -1.21 0.00 0.00 61.69 58.75 3b8i s THR 160 Cb -0.11 -2.39 0.08 0.00 -1.51 0.00 0.00 72.50 68.57 3b8i s THR 160 CO 0.04 -0.01 0.25 0.21 -2.21 0.00 0.00 174.62 172.91 3b8i s ASN 161 N -3.11 5.61 -0.08 8.08 3.84 -1.26 -2.48 114.94 125.54 3b8i s ASN 161 Ca 0.33 -1.51 0.01 0.00 0.21 0.00 0.00 52.86 51.90 3b8i s ASN 161 Cb 0.04 -1.98 0.11 0.00 -0.55 0.00 0.00 41.25 38.88 3b8i s ASN 161 CO 0.11 -0.53 1.24 0.00 -2.79 0.00 0.00 177.10 175.13 3b8i n ALA 162 N 4.90 3.17 -0.05 1.71 0.00 0.15 -4.42 120.51 125.96 3b8i n ALA 162 Ca -0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 3b8i n ALA 162 Cb 0.43 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 0.30 0.30 -0.00 0.00 2.13 -1.21 -4.36 120.64 117.80 3b8i n GLU 163 Ca 0.10 0.13 -0.00 0.00 0.66 0.00 0.00 57.16 58.05 3b8i n GLU 163 Cb 0.68 -1.01 -0.00 0.00 0.27 0.00 0.00 31.44 31.38 3b8i n GLU 163 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3b8i h LEU 164 N -0.53 0.00 -9.73 4.31 3.38 -1.91 -3.46 115.31 107.36 3b8i h LEU 164 Ca -0.19 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.22 3b8i h LEU 164 Cb 0.93 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.78 3b8i h LEU 164 CO -0.11 0.01 0.58 2.30 0.09 0.00 0.00 178.44 181.31 3b8i n ILE 165 N -2.08 1.71 -1.39 1.22 -5.35 -1.26 -4.95 119.36 107.26 3b8i n ILE 165 Ca -0.00 -0.43 -0.34 0.00 -0.27 0.00 0.00 62.75 61.72 3b8i n ILE 165 Cb 0.00 -1.61 0.09 0.00 -1.74 0.00 0.00 39.64 36.39 3b8i n ILE 165 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3b8i s ASP 166 N -0.11 4.20 0.41 7.28 -4.77 -1.26 -4.73 116.67 117.68 3b8i s ASP 166 Ca 0.58 2.26 0.19 0.00 -3.30 0.00 0.00 52.55 52.29 3b8i s ASP 166 Cb -0.57 -2.58 1.12 0.00 -1.09 0.00 0.00 42.92 39.80 3b8i s ASP 166 CO 0.59 -2.25 1.79 1.62 0.70 0.00 0.00 175.17 177.61 3b8i h VAL 167 N -0.46 0.55 -0.06 2.11 3.04 -1.92 -2.04 116.25 117.47 3b8i h VAL 167 Ca -0.47 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 3b8i h VAL 167 Cb 1.28 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 3b8i h VAL 167 CO 0.49 0.07 -0.01 0.44 -1.01 0.00 0.00 177.57 177.55 3b8i h ASP 168 N 0.38 0.12 -0.95 3.17 3.32 -2.00 0.01 116.42 120.46 3b8i h ASP 168 Ca 0.57 -0.35 0.24 0.00 0.02 0.00 0.00 57.03 57.51 3b8i h ASP 168 Cb 1.48 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.87 3b8i h ASP 168 CO -0.26 0.44 0.50 0.00 -1.72 0.00 0.00 179.24 178.20 3b8i h ALA 169 N 0.68 1.63 0.72 3.45 0.00 -1.73 -1.29 119.26 122.71 3b8i h ALA 169 Ca 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3b8i h ALA 169 Cb 0.39 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3b8i h ALA 169 CO 0.01 -0.33 -0.36 0.28 0.00 0.00 0.00 179.25 178.85 3b8i h VAL 170 N 0.47 0.00 -1.01 0.00 2.07 -0.88 -2.41 116.25 114.49 3b8i h VAL 170 Ca 0.61 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.37 3b8i h VAL 170 Cb 1.18 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.84 3b8i h VAL 170 CO -0.51 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.09 3b8i h ILE 171 N -0.98 0.58 0.16 4.57 2.04 -0.53 -0.23 117.51 123.11 3b8i h ILE 171 Ca -0.10 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3b8i h ILE 171 Cb 0.76 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3b8i h ILE 171 CO 0.15 0.11 -0.17 -0.61 0.00 0.00 0.00 178.15 177.63 3b8i h GLN 172 N 0.60 -0.34 0.24 2.37 -0.00 -1.20 -1.73 115.11 115.05 3b8i h GLN 172 Ca 0.62 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.28 3b8i h GLN 172 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.75 3b8i h GLN 172 CO -0.43 -0.23 -0.11 0.00 0.00 0.00 0.00 178.83 178.06 3b8i h ARG 173 N -0.36 -0.31 -0.89 1.69 3.08 -0.57 -2.63 114.38 114.40 3b8i h ARG 173 Ca 0.01 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3b8i h ARG 173 Cb 0.34 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3b8i h ARG 173 CO -0.05 -0.20 0.59 1.79 -1.07 0.00 0.00 179.97 181.03 3b8i h THR 174 N -0.32 1.19 -0.11 2.04 1.35 -1.15 -0.68 112.91 115.23 3b8i h THR 174 Ca -0.03 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 3b8i h THR 174 Cb 0.25 -0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.60 3b8i h THR 174 CO 0.05 0.21 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.45 3b8i h LEU 175 N 1.16 0.20 -0.75 3.87 3.38 -1.26 0.80 115.31 122.71 3b8i h LEU 175 Ca 0.34 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3b8i h LEU 175 Cb -0.07 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3b8i h LEU 175 CO -0.09 0.51 0.39 0.00 0.09 0.00 0.00 178.44 179.34 3b8i h ALA 176 N 0.70 1.05 -0.19 1.53 0.00 -1.20 0.39 119.26 121.54 3b8i h ALA 176 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3b8i h ALA 176 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3b8i h ALA 176 CO 0.01 -0.02 0.11 1.88 0.00 0.00 0.00 179.25 181.23 3b8i h TYR 177 N 0.64 0.25 -0.60 0.00 0.05 -0.96 0.17 116.97 116.53 3b8i h TYR 177 Ca 0.37 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.14 3b8i h TYR 177 Cb 0.39 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3b8i h TYR 177 CO -0.10 0.23 0.36 0.37 -1.05 0.00 0.00 178.16 177.97 3b8i h GLN 178 N 0.21 0.82 0.11 4.88 4.15 -0.42 -2.53 115.11 122.33 3b8i h GLN 178 Ca 0.07 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.43 3b8i h GLN 178 Cb 0.05 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 3b8i h GLN 178 CO -0.01 0.59 -0.41 1.49 -1.93 0.00 0.00 178.83 178.56 3b8i h GLU 179 N 0.81 -0.61 0.00 1.69 4.57 -0.16 -2.69 114.58 118.19 3b8i h GLU 179 Ca 0.22 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3b8i h GLU 179 Cb -0.02 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3b8i h GLU 179 CO -0.04 -0.41 0.39 0.00 -1.18 0.00 0.00 179.01 177.77 3b8i h ALA 180 N -0.13 1.36 0.00 2.92 0.00 -0.24 -3.45 119.26 119.73 3b8i h ALA 180 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3b8i h ALA 180 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3b8i h ALA 180 CO -0.24 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.05 3b8i n GLY 181 N -1.26 1.36 3.75 0.00 0.00 -1.01 -4.65 105.19 103.37 3b8i n GLY 181 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.95 2.06 0.55 4.61 0.00 -1.03 -4.91 120.51 120.84 3b8i n ALA 182 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.91 3b8i n ALA 182 Cb 0.00 -2.38 0.45 0.00 0.00 0.00 0.00 19.45 17.53 3b8i n ALA 182 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3b8i n ASP 183 N 0.75 0.51 -3.63 0.00 8.00 0.15 -4.85 116.55 117.48 3b8i n ASP 183 Ca 0.03 0.59 -0.03 0.00 0.71 0.00 0.00 54.79 56.09 3b8i n ASP 183 Cb 0.38 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 3b8i n ASP 183 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3b8i s GLY 184 N -3.39 -0.35 -0.05 0.44 0.00 -1.24 -3.91 107.32 98.81 3b8i s GLY 184 Ca 0.08 0.78 0.06 0.00 0.00 0.00 0.00 44.72 45.64 3b8i s GLY 184 CO 0.44 0.22 -0.23 -0.42 0.00 0.00 0.00 173.10 173.11 3b8i s ILE 185 N -2.81 2.25 -0.16 0.90 -1.09 -0.12 -1.31 121.20 118.86 3b8i s ILE 185 Ca 0.11 -1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 57.48 3b8i s ILE 185 Cb 0.01 -1.83 -0.03 0.00 -1.58 0.00 0.00 42.46 39.03 3b8i s ILE 185 CO -0.03 0.57 -0.02 0.00 -1.23 0.00 0.00 174.94 174.23 3b8i s LEU 187 N 0.41 2.10 -0.10 0.00 1.43 0.04 -1.54 118.68 121.01 3b8i s LEU 187 Ca -0.03 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.43 3b8i s LEU 187 Cb -0.14 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3b8i s LEU 187 CO 0.02 0.07 0.05 0.54 0.23 0.00 0.00 176.35 177.27 3b8i s VAL 188 N 0.84 4.75 -0.34 -1.59 0.11 -1.03 -1.45 120.40 121.70 3b8i s VAL 188 Ca -0.06 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 3b8i s VAL 188 Cb -0.15 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 3b8i s VAL 188 CO -0.02 0.60 0.04 0.61 -3.33 0.00 0.00 175.10 173.00 3b8i n GLY 189 N 2.18 0.28 3.72 6.54 0.00 -1.26 0.32 105.19 116.98 3b8i n GLY 189 Ca -0.19 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3b8i n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8i s VAL 190 N -2.36 3.48 -0.02 1.61 1.01 -1.26 -3.30 120.40 119.55 3b8i s VAL 190 Ca 0.02 1.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.83 3b8i s VAL 190 Cb -0.01 -3.69 -0.20 0.00 0.00 0.00 0.00 36.38 32.48 3b8i s VAL 190 CO 0.03 0.09 1.18 0.03 0.00 0.00 0.00 175.10 176.42 3b8i h ARG 191 N 6.67 0.15 0.00 2.72 3.08 -1.95 -3.50 114.38 121.54 3b8i h ARG 191 Ca -0.42 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.55 3b8i h ARG 191 Cb 1.21 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3b8i h ARG 191 CO 0.84 0.73 0.23 -0.40 -1.07 0.00 0.00 179.97 180.30 3b8i n ASP 192 N -4.65 -1.11 0.07 7.04 5.68 -1.26 -4.73 116.55 117.60 3b8i n ASP 192 Ca -0.08 -1.69 -0.01 0.00 -0.50 0.00 0.00 54.79 52.50 3b8i n ASP 192 Cb 0.38 1.82 0.25 0.00 -1.14 0.00 0.00 41.12 42.43 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 1.53 0.36 -0.35 2.11 0.04 -1.97 -1.24 116.94 117.42 3b8i h PHE 193 Ca -0.17 -0.08 0.07 0.00 2.80 0.00 0.00 57.97 60.59 3b8i h PHE 193 Cb 0.66 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.66 3b8i h PHE 193 CO 0.00 0.59 -0.02 0.00 -0.60 0.00 0.00 178.31 178.28 3b8i h ALA 194 N 1.41 0.30 -0.18 2.45 0.00 -1.97 -1.04 119.26 120.25 3b8i h ALA 194 Ca 0.04 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3b8i h ALA 194 Cb 0.66 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3b8i h ALA 194 CO 0.05 -0.41 0.10 1.25 0.00 0.00 0.00 179.25 180.24 3b8i h HIS 195 N 0.07 0.24 0.55 0.00 -0.00 -1.87 -3.09 115.15 111.06 3b8i h HIS 195 Ca 0.17 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 3b8i h HIS 195 Cb 0.25 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3b8i h HIS 195 CO -0.26 0.21 -0.29 1.25 -0.00 0.00 0.00 177.93 178.83 3b8i h LEU 196 N 0.19 -0.71 -0.74 0.26 5.85 -0.83 -3.07 115.31 116.25 3b8i h LEU 196 Ca 0.06 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.98 3b8i h LEU 196 Cb 0.05 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.14 3b8i h LEU 196 CO -0.01 -0.48 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.25 3b8i h GLU 197 N -0.78 0.08 -0.40 1.25 5.08 -1.25 0.43 114.58 119.00 3b8i h GLU 197 Ca -0.07 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3b8i h GLU 197 Cb 0.62 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 3b8i h GLU 197 CO 0.10 0.06 -0.38 0.00 -1.00 0.00 0.00 179.01 177.79 3b8i h ALA 198 N 1.70 -0.30 -0.14 3.43 0.00 -1.49 -2.32 119.26 120.14 3b8i h ALA 198 Ca 0.40 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3b8i h ALA 198 Cb 0.69 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3b8i h ALA 198 CO -0.67 -0.79 -0.03 0.82 0.00 0.00 0.00 179.25 178.58 3b8i h ILE 199 N -0.29 1.28 -0.01 0.00 2.04 -1.02 -3.17 117.51 116.33 3b8i h ILE 199 Ca 0.16 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3b8i h ILE 199 Cb 0.56 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3b8i h ILE 199 CO -0.56 0.28 0.02 0.00 0.00 0.00 0.00 178.15 177.89 3b8i h ALA 200 N 0.72 1.35 -0.04 1.87 0.00 -0.15 -3.34 119.26 119.67 3b8i h ALA 200 Ca 0.04 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3b8i h ALA 200 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3b8i h ALA 200 CO 0.01 -0.03 -0.15 1.49 0.00 0.00 0.00 179.25 180.58 3b8i h GLU 201 N 0.00 -0.22 -0.39 0.00 4.81 -1.39 -3.00 114.58 114.39 3b8i h GLU 201 Ca 0.01 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3b8i h GLU 201 Cb 0.05 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 3b8i h GLU 201 CO -0.00 -0.14 0.04 0.72 -0.73 0.00 0.00 179.01 178.90 3b8i n HIS 202 N -5.28 1.32 -3.93 0.92 8.25 -1.25 -4.91 115.22 110.33 3b8i n HIS 202 Ca -0.05 -1.11 -0.33 0.00 -0.26 0.00 0.00 57.72 55.97 3b8i n HIS 202 Cb 0.20 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.96 4.30 0.00 2.41 1.43 -1.14 -4.96 118.68 117.76 3b8i s LEU 203 Ca 0.46 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3b8i s LEU 203 Cb 0.38 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 44.05 3b8i s LEU 203 CO 0.08 0.27 0.46 0.00 0.23 0.00 0.00 176.35 177.38 3b8i n HIS 204 N 1.00 0.00 -3.70 0.29 1.44 -1.26 -5.00 115.22 107.99 3b8i n HIS 204 Ca -0.11 -0.06 -0.35 0.00 -2.01 0.00 0.00 57.72 55.18 3b8i n HIS 204 Cb 0.53 -0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.13 5.24 0.33 0.61 -4.36 -1.26 -5.05 121.20 116.59 3b8i s ILE 205 Ca 0.00 0.33 -0.25 0.00 -0.26 0.00 0.00 60.65 60.47 3b8i s ILE 205 Cb 0.00 -3.58 -0.14 0.00 1.25 0.00 0.00 42.46 39.98 3b8i s ILE 205 CO 0.00 0.41 0.61 -2.65 0.24 0.00 0.00 174.94 173.55 3b8i n PRO 206 N 1.29 0.56 -4.21 0.37 -0.02 -1.25 -4.54 135.00 127.19 3b8i n PRO 206 Ca -0.12 0.20 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 3b8i n PRO 206 Cb 0.53 -1.41 -0.09 0.00 -0.02 0.00 0.00 33.50 32.51 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 2.01 3.12 -0.01 2.45 1.43 -0.37 -0.95 118.68 126.35 3b8i s LEU 207 Ca 0.62 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3b8i s LEU 207 Cb -0.72 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 43.61 3b8i s LEU 207 CO 0.58 0.17 -0.07 -0.32 0.23 0.00 0.00 176.35 176.94 3b8i s MET 208 N -2.27 0.64 -0.08 1.70 -2.45 0.11 0.14 119.30 117.09 3b8i s MET 208 Ca 0.22 -0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.44 3b8i s MET 208 Cb -0.11 -0.62 0.00 0.00 1.25 0.00 0.00 34.83 35.35 3b8i s MET 208 CO 0.15 0.15 -0.20 -0.51 1.05 0.00 0.00 175.02 175.66 3b8i s LEU 209 N -0.10 1.93 -0.64 4.11 1.02 0.30 -0.78 118.68 124.52 3b8i s LEU 209 Ca 0.02 -0.45 -0.11 0.00 0.02 0.00 0.00 54.13 53.61 3b8i s LEU 209 Cb -0.04 -1.17 0.17 0.00 0.02 0.00 0.00 46.19 45.16 3b8i s LEU 209 CO -0.00 0.13 0.55 -0.69 0.02 0.00 0.00 176.35 176.35 3b8i s VAL 210 N 0.36 4.83 -0.01 -1.59 1.01 -0.53 0.25 120.40 124.73 3b8i s VAL 210 Ca -0.14 -2.18 0.11 0.00 0.00 0.00 0.00 61.98 59.76 3b8i s VAL 210 Cb -0.16 -4.08 -0.19 0.00 0.00 0.00 0.00 36.38 31.95 3b8i s VAL 210 CO 0.06 -0.90 0.94 0.71 0.00 0.00 0.00 175.10 175.91 3b8i h THR 211 N 5.44 1.10 -4.91 3.92 1.35 -1.74 -3.35 112.91 114.72 3b8i h THR 211 Ca -0.08 -2.83 -0.40 0.00 -0.55 0.00 0.00 66.41 62.55 3b8i h THR 211 Cb 1.05 2.52 0.03 0.00 -1.73 0.00 0.00 68.15 70.02 3b8i h THR 211 CO 0.83 0.63 -0.61 -1.22 -0.25 0.00 0.00 175.52 174.90 3b8i n TYR 212 N -3.14 -2.05 -0.27 4.73 4.01 -1.24 -2.58 117.16 116.62 3b8i n TYR 212 Ca -0.09 0.58 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 3b8i n TYR 212 Cb 0.97 -4.21 0.00 0.00 -0.31 0.00 0.00 39.34 35.79 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 -1.51 2.09 1.35 2.72 0.00 -1.24 -4.98 105.19 103.62 3b8i n GLY 213 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.32 0.27 1.61 2.85 -1.06 -4.81 115.26 114.43 3b8i n ASN 214 Ca 0.00 0.29 0.16 0.00 -0.11 0.00 0.00 54.58 54.92 3b8i n ASN 214 Cb 0.00 -0.37 0.67 0.00 1.24 0.00 0.00 39.78 41.32 3b8i n ASN 214 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3b8i h PRO 215 N 3.65 0.00 0.00 1.20 0.11 -1.93 -2.71 132.00 132.32 3b8i h PRO 215 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3b8i h PRO 215 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3b8i h PRO 215 CO 0.45 0.06 0.00 1.96 -0.21 0.00 0.00 178.00 180.26 3b8i h GLN 216 N 0.00 0.00 -0.30 1.05 1.08 -1.87 -3.12 115.11 111.95 3b8i h GLN 216 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3b8i h GLN 216 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3b8i h GLN 216 CO 0.01 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.17 3b8i n LEU 217 N -2.98 3.73 -4.51 1.46 4.77 -1.02 -4.05 117.00 114.41 3b8i n LEU 217 Ca 0.01 -2.74 -0.43 0.00 -0.03 0.00 0.00 56.01 52.82 3b8i n LEU 217 Cb 0.29 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 3b8i n LEU 217 CO 0.26 0.69 1.33 -0.13 -1.33 0.00 0.00 177.39 178.21 3b8i s ARG 218 N -2.33 3.71 -0.30 3.23 1.81 -1.18 -4.78 118.95 119.11 3b8i s ARG 218 Ca 0.38 -1.66 -0.10 0.00 -1.72 0.00 0.00 55.73 52.63 3b8i s ARG 218 Cb 0.29 -5.17 0.18 0.00 -0.45 0.00 0.00 34.95 29.80 3b8i s ARG 218 CO 0.11 -1.99 1.00 0.34 -0.68 0.00 0.00 175.30 174.08 3b8i s ASP 219 N 4.08 -0.56 0.05 0.23 3.68 -1.26 -5.10 116.67 117.80 3b8i s ASP 219 Ca 0.41 0.14 -0.19 0.00 2.13 0.00 0.00 52.55 55.04 3b8i s ASP 219 Cb -0.02 1.38 -0.14 0.00 -1.45 0.00 0.00 42.92 42.69 3b8i s ASP 219 CO -0.06 -0.10 1.32 0.44 0.13 0.00 0.00 175.17 176.90 3b8i h ASP 220 N 7.54 0.51 -0.40 -0.34 5.19 -1.99 -1.27 116.42 125.65 3b8i h ASP 220 Ca -0.10 -0.53 0.02 0.00 -0.62 0.00 0.00 57.03 55.81 3b8i h ASP 220 Cb 1.18 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 3b8i h ASP 220 CO -0.07 0.94 0.22 0.00 -3.12 0.00 0.00 179.24 177.21 3b8i h ALA 221 N 0.59 0.50 0.38 3.45 0.00 -1.98 -1.73 119.26 120.47 3b8i h ALA 221 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3b8i h ALA 221 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3b8i h ALA 221 CO 0.06 -0.13 -0.18 -0.09 0.00 0.00 0.00 179.25 178.91 3b8i h ARG 222 N 0.45 -0.49 -0.85 0.00 2.43 -1.99 -2.18 114.38 111.74 3b8i h ARG 222 Ca 0.17 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.54 3b8i h ARG 222 Cb 0.04 0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 29.54 3b8i h ARG 222 CO -0.10 -0.25 -0.23 -0.07 -1.51 0.00 0.00 179.97 177.81 3b8i h LEU 223 N -0.65 -0.86 -0.34 3.80 3.38 -1.11 -2.03 115.31 117.50 3b8i h LEU 223 Ca -0.05 0.26 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3b8i h LEU 223 Cb 0.47 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3b8i h LEU 223 CO 0.09 -0.28 0.09 0.00 0.09 0.00 0.00 178.44 178.42 3b8i h ALA 224 N 1.78 0.45 -0.66 1.53 0.00 -1.16 -2.28 119.26 118.92 3b8i h ALA 224 Ca 0.40 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.24 3b8i h ALA 224 Cb 0.62 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3b8i h ALA 224 CO -0.88 0.10 0.44 0.00 0.00 0.00 0.00 179.25 178.91 3b8i h ARG 225 N 0.39 0.46 0.00 0.00 3.08 -1.00 0.38 114.38 117.69 3b8i h ARG 225 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3b8i h ARG 225 Cb 0.28 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3b8i h ARG 225 CO -0.00 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 3b8i n LEU 226 N -4.48 0.00 0.00 3.04 4.77 -0.80 -4.91 117.00 114.62 3b8i n LEU 226 Ca 0.11 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3b8i n LEU 226 Cb 0.39 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3b8i n LEU 226 CO 0.33 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3b8i n GLY 227 N 0.55 0.63 3.74 -0.72 0.00 0.13 -4.82 105.19 104.70 3b8i n GLY 227 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.23 2.35 -0.00 1.61 -7.23 -0.90 -1.24 120.40 112.75 3b8i s VAL 228 Ca 0.00 0.28 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 3b8i s VAL 228 Cb 0.00 -3.18 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 3b8i s VAL 228 CO 0.00 0.04 0.01 0.54 -0.31 0.00 0.00 175.10 175.38 3b8i n ARG 229 N 2.61 2.46 -4.35 4.82 5.12 0.37 -3.99 116.66 123.71 3b8i n ARG 229 Ca 0.09 -0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.81 3b8i n ARG 229 Cb 0.38 -1.02 -0.16 0.00 -1.16 0.00 0.00 32.46 30.51 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 -2.03 0.73 -0.13 1.55 1.01 -1.07 -0.43 120.40 120.03 3b8i s VAL 230 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3b8i s VAL 230 Cb 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.73 3b8i s VAL 230 CO 0.03 0.23 -0.20 -0.69 0.00 0.00 0.00 175.10 174.47 3b8i s VAL 231 N 0.28 1.93 -0.40 2.92 1.01 0.18 -0.53 120.40 125.78 3b8i s VAL 231 Ca -0.04 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 3b8i s VAL 231 Cb -0.09 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.59 3b8i s VAL 231 CO 0.00 0.52 0.27 -0.69 0.00 0.00 0.00 175.10 175.21 3b8i s VAL 232 N 0.86 5.07 -0.53 2.92 1.01 0.14 -2.06 120.40 127.80 3b8i s VAL 232 Ca -0.07 -0.69 0.24 0.00 0.00 0.00 0.00 61.98 61.46 3b8i s VAL 232 Cb -0.15 -3.82 0.15 0.00 0.00 0.00 0.00 36.38 32.56 3b8i s VAL 232 CO -0.02 -0.27 1.42 0.78 0.00 0.00 0.00 175.10 177.01 3b8i h ASN 233 N 8.57 0.00 0.00 3.32 2.35 -1.85 -2.63 115.58 125.33 3b8i h ASN 233 Ca -0.27 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3b8i h ASN 233 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3b8i h ASN 233 CO 0.71 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 177.14 3b8i n GLY 234 N 1.25 0.65 0.96 2.83 0.00 -1.26 -3.70 105.19 105.92 3b8i n GLY 234 Ca 0.03 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 6.06 0.00 -0.36 1.61 8.25 -1.26 -4.64 115.22 124.89 3b8i n HIS 235 Ca 0.00 -0.76 0.27 0.00 -0.26 0.00 0.00 57.72 56.96 3b8i n HIS 235 Cb 0.00 -0.16 0.52 0.00 1.12 0.00 0.00 29.99 31.47 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 0.76 2.19 -0.15 -1.41 0.00 -1.99 -0.02 119.26 118.64 3b8i h ALA 236 Ca -0.11 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3b8i h ALA 236 Cb 1.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3b8i h ALA 236 CO 0.05 -0.77 -0.20 0.00 0.00 0.00 0.00 179.25 178.33 3b8i h ALA 237 N 1.75 1.39 -0.13 0.00 0.00 -1.96 -0.13 119.26 120.18 3b8i h ALA 237 Ca 0.73 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 3b8i h ALA 237 Cb 1.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3b8i h ALA 237 CO -0.50 0.42 -0.20 -0.92 0.00 0.00 0.00 179.25 178.05 3b8i h TYR 238 N 0.23 0.44 -0.07 0.00 3.20 -1.38 -3.12 116.97 116.27 3b8i h TYR 238 Ca 0.04 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 3b8i h TYR 238 Cb 0.49 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3b8i h TYR 238 CO 0.01 0.81 -0.12 0.74 -1.64 0.00 0.00 178.16 177.96 3b8i h PHE 239 N -0.05 0.11 -0.61 -3.82 0.04 -1.05 -1.77 116.94 109.79 3b8i h PHE 239 Ca 0.01 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3b8i h PHE 239 Cb 0.77 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.86 3b8i h PHE 239 CO 0.10 0.23 0.18 0.00 -0.60 0.00 0.00 178.31 178.22 3b8i h ALA 240 N 1.78 1.17 0.01 2.45 0.00 -1.08 -0.73 119.26 122.86 3b8i h ALA 240 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3b8i h ALA 240 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3b8i h ALA 240 CO 0.02 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3b8i h ALA 241 N 1.29 -0.01 -0.29 0.00 0.00 -1.28 -0.85 119.26 118.12 3b8i h ALA 241 Ca 0.20 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3b8i h ALA 241 Cb 0.27 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3b8i h ALA 241 CO -0.01 -0.44 -0.20 0.82 0.00 0.00 0.00 179.25 179.42 3b8i h ILE 242 N -0.15 0.45 -0.68 0.00 1.08 -1.15 -1.47 117.51 115.59 3b8i h ILE 242 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3b8i h ILE 242 Cb 0.14 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 3b8i h ILE 242 CO 0.00 0.00 0.42 0.50 -0.69 0.00 0.00 178.15 178.39 3b8i h LYS 243 N -0.17 0.91 -0.81 2.37 3.64 -1.07 -1.18 116.57 120.25 3b8i h LYS 243 Ca 0.15 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3b8i h LYS 243 Cb 0.41 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3b8i h LYS 243 CO -0.40 0.63 0.41 0.00 -2.27 0.00 0.00 179.45 177.83 3b8i h ALA 244 N 1.23 1.20 -0.28 5.00 0.00 -0.72 -0.14 119.26 125.54 3b8i h ALA 244 Ca 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3b8i h ALA 244 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3b8i h ALA 244 CO -0.05 0.62 0.11 1.15 0.00 0.00 0.00 179.25 181.09 3b8i h THR 245 N 1.14 1.17 -0.28 0.00 2.02 -1.14 -1.36 112.91 114.47 3b8i h THR 245 Ca 0.28 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3b8i h THR 245 Cb 0.07 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3b8i h THR 245 CO -0.04 0.18 -0.01 0.22 0.37 0.00 0.00 175.52 176.24 3b8i h TYR 246 N 0.30 -0.03 -0.15 3.16 3.20 -0.95 -2.26 116.97 120.24 3b8i h TYR 246 Ca 0.09 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 3b8i h TYR 246 Cb 0.17 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3b8i h TYR 246 CO -0.01 -0.05 -0.59 -0.44 -1.64 0.00 0.00 178.16 175.43 3b8i h ASP 247 N 0.07 0.56 -0.25 -2.11 3.32 -0.94 -0.33 116.42 116.74 3b8i h ASP 247 Ca 0.13 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3b8i h ASP 247 Cb 0.18 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3b8i h ASP 247 CO -0.23 1.02 0.02 0.00 -1.72 0.00 0.00 179.24 178.33 3b8i h LEU 249 N 0.22 0.83 -0.58 0.00 3.38 -1.33 -1.57 115.31 116.25 3b8i h LEU 249 Ca 0.07 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.77 3b8i h LEU 249 Cb 0.37 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 3b8i h LEU 249 CO 0.01 1.03 0.06 -0.09 0.09 0.00 0.00 178.44 179.54 3b8i h ARG 250 N 0.63 0.18 -0.34 1.13 2.43 -1.09 0.20 114.38 117.51 3b8i h ARG 250 Ca 0.10 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 3b8i h ARG 250 Cb 0.69 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3b8i h ARG 250 CO 0.05 0.12 -0.34 0.93 -1.51 0.00 0.00 179.97 179.21 3b8i h GLU 251 N 0.18 0.76 -0.36 0.20 5.08 -1.30 -0.55 114.58 118.58 3b8i h GLU 251 Ca 0.30 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3b8i h GLU 251 Cb 0.47 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3b8i h GLU 251 CO -0.44 0.99 0.04 0.93 -1.00 0.00 0.00 179.01 179.53 3b8i h GLU 252 N 0.63 0.61 -0.47 2.33 5.08 -1.05 -2.90 114.58 118.80 3b8i h GLU 252 Ca 0.06 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3b8i h GLU 252 Cb 0.88 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3b8i h GLU 252 CO 0.08 0.69 0.24 -0.09 -1.00 0.00 0.00 179.01 178.93 3b8i h ARG 253 N 0.44 0.65 0.00 2.33 9.65 -0.84 -3.47 114.38 123.14 3b8i h ARG 253 Ca 0.11 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3b8i h ARG 253 Cb 0.39 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3b8i h ARG 253 CO 0.01 0.50 0.00 0.41 2.80 0.00 0.00 179.97 183.69 3b8i n GLY 254 N -1.27 0.88 3.91 2.80 0.00 -0.34 -5.08 105.19 106.07 3b8i n GLY 254 Ca 0.04 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 3.38 0.50 4.61 0.00 -0.45 -5.02 121.76 122.78 3b8i s ALA 255 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 3b8i s ALA 255 Cb 0.00 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 3b8i s ALA 255 CO 0.00 -0.39 1.08 0.14 0.00 0.00 0.00 175.76 176.59 3b8i s VAL 256 N -2.77 3.52 0.65 0.00 -7.23 -1.26 -4.68 120.40 108.63 3b8i s VAL 256 Ca 0.48 0.97 -0.18 0.00 -1.81 0.00 0.00 61.98 61.45 3b8i s VAL 256 Cb -0.10 -3.41 -0.01 0.00 0.56 0.00 0.00 36.38 33.42 3b8i s VAL 256 CO 0.45 -0.18 1.24 0.00 -0.31 0.00 0.00 175.10 176.30 3b8i s ALA 257 N -1.86 2.38 0.14 1.32 0.00 -1.26 -5.02 121.76 117.46 3b8i s ALA 257 Ca 0.68 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.65 3b8i s ALA 257 Cb -0.20 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 3b8i s ALA 257 CO 0.24 -1.49 0.39 0.45 0.00 0.00 0.00 175.76 175.34 3b8i s SER 258 N -1.62 6.52 -0.05 0.00 0.15 -1.26 -5.01 113.70 112.44 3b8i s SER 258 Ca 0.79 0.64 0.18 0.00 0.70 0.00 0.00 55.95 58.26 3b8i s SER 258 Cb -0.33 -2.11 0.58 0.00 -1.71 0.00 0.00 66.02 62.45 3b8i s SER 258 CO 0.38 0.06 1.49 -0.90 1.20 0.00 0.00 173.24 175.47 3b8i n ASP 259 N 0.19 3.95 -4.78 5.45 5.75 -1.26 -4.96 116.55 120.89 3b8i n ASP 259 Ca -0.03 -2.21 -0.36 0.00 -0.01 0.00 0.00 54.79 52.18 3b8i n ASP 259 Cb 0.52 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 3b8i n ASP 259 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3b8i s LEU 260 N -1.39 4.01 0.96 -2.12 1.43 -1.26 -5.05 118.68 115.26 3b8i s LEU 260 Ca 0.43 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.47 3b8i s LEU 260 Cb 0.25 -4.32 0.17 0.00 0.03 0.00 0.00 46.19 42.32 3b8i s LEU 260 CO 0.25 -0.71 1.15 0.42 0.23 0.00 0.00 176.35 177.69 3b8i s THR 261 N -1.72 1.95 0.17 5.49 -4.23 -1.26 -4.79 115.64 111.25 3b8i s THR 261 Ca 0.62 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.99 3b8i s THR 261 Cb -0.22 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 70.95 3b8i s THR 261 CO 0.27 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 176.11 3b8i h ALA 262 N -1.67 0.54 -0.68 3.99 0.00 -1.97 0.92 119.26 120.40 3b8i h ALA 262 Ca -0.49 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3b8i h ALA 262 Cb 1.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3b8i h ALA 262 CO 0.56 -0.20 0.31 0.66 0.00 0.00 0.00 179.25 180.58 3b8i h SER 263 N 0.37 0.91 -0.41 0.00 4.64 -1.94 -2.21 113.55 114.90 3b8i h SER 263 Ca 0.20 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3b8i h SER 263 Cb 0.17 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3b8i h SER 263 CO -0.19 0.80 0.22 -0.33 -0.87 0.00 0.00 176.83 176.47 3b8i h GLU 264 N 0.95 0.57 -0.80 4.77 5.08 -1.81 -1.38 114.58 121.96 3b8i h GLU 264 Ca 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3b8i h GLU 264 Cb 0.15 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3b8i h GLU 264 CO -0.03 0.46 0.47 -0.07 -1.00 0.00 0.00 179.01 178.85 3b8i h LEU 265 N 0.53 0.97 -0.47 1.33 3.38 -0.74 -1.73 115.31 118.58 3b8i h LEU 265 Ca 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3b8i h LEU 265 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3b8i h LEU 265 CO -0.02 0.76 0.16 0.28 0.09 0.00 0.00 178.44 179.70 3b8i h SER 266 N 1.10 0.67 -0.32 -0.43 0.02 -1.26 -2.45 113.55 110.88 3b8i h SER 266 Ca 0.29 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3b8i h SER 266 Cb -0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3b8i h SER 266 CO -0.05 0.69 0.19 0.50 -1.14 0.00 0.00 176.83 177.02 3b8i h LYS 267 N 0.62 0.44 -0.58 3.45 3.64 -1.15 -3.11 116.57 119.89 3b8i h LYS 267 Ca 0.15 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 3b8i h LYS 267 Cb 0.25 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 3b8i h LYS 267 CO -0.01 0.35 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.29 3b8i h LYS 268 N 0.41 0.10 0.00 1.90 3.64 -1.13 -0.84 116.57 120.65 3b8i h LYS 268 Ca 0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3b8i h LYS 268 Cb 0.02 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3b8i h LYS 268 CO -0.02 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 3b8i n TYR 269 N -5.27 0.00 1.33 1.91 4.01 -0.94 -1.48 117.16 116.71 3b8i n TYR 269 Ca 0.08 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.95 3b8i n TYR 269 Cb 0.32 -0.06 0.55 0.00 -0.31 0.00 0.00 39.34 39.85 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 -1.06 0.00 -3.54 -0.72 -2.24 -0.32 -4.81 114.28 101.59 3b8i n THR 270 Ca 0.13 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 3b8i n THR 270 Cb 0.08 -0.02 0.07 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.98 -2.13 0.20 4.78 0.99 -0.55 -4.48 117.46 115.29 3b8i n PHE 271 Ca 0.13 0.91 0.06 0.00 -0.00 0.00 0.00 57.45 58.55 3b8i n PHE 271 Cb 0.30 -4.83 0.52 0.00 -1.00 0.00 0.00 39.48 34.47 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 -1.93 0.09 -0.52 -1.08 0.13 -1.77 -1.44 132.00 125.48 3b8i h PRO 272 Ca -0.60 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.41 3b8i h PRO 272 Cb 1.35 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 3b8i h PRO 272 CO 0.53 0.17 -0.10 0.93 -0.23 0.00 0.00 178.00 179.29 3b8i h GLU 273 N 0.09 0.96 0.02 0.86 3.07 -1.94 -0.62 114.58 117.01 3b8i h GLU 273 Ca 0.02 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3b8i h GLU 273 Cb 0.19 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3b8i h GLU 273 CO 0.01 1.01 -0.03 1.49 -1.40 0.00 0.00 179.01 180.09 3b8i h GLU 274 N 0.86 -0.06 -0.72 2.33 4.81 -1.64 -1.29 114.58 118.87 3b8i h GLU 274 Ca 0.14 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3b8i h GLU 274 Cb 0.65 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3b8i h GLU 274 CO 0.04 -0.04 0.25 1.88 -0.73 0.00 0.00 179.01 180.42 3b8i h TYR 275 N -0.06 1.11 -0.42 0.92 0.05 -1.31 -2.35 116.97 114.90 3b8i h TYR 275 Ca 0.01 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.72 3b8i h TYR 275 Cb 0.07 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 3b8i h TYR 275 CO -0.10 0.86 0.23 0.37 -1.05 0.00 0.00 178.16 178.47 3b8i h GLN 276 N 1.05 0.44 -0.44 4.88 5.75 -0.95 -1.57 115.11 124.26 3b8i h GLN 276 Ca 0.24 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 3b8i h GLN 276 Cb 0.25 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 3b8i h GLN 276 CO -0.01 0.29 0.25 0.00 -2.65 0.00 0.00 178.83 176.71 3b8i h ALA 277 N 1.20 1.61 -0.12 3.38 0.00 -1.03 -1.30 119.26 123.00 3b8i h ALA 277 Ca 0.17 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3b8i h ALA 277 Cb 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3b8i h ALA 277 CO -0.10 0.33 -0.57 -1.49 0.00 0.00 0.00 179.25 177.42 3b8i h TRP 278 N 0.61 0.81 -0.29 0.00 6.55 -1.21 -0.80 115.95 121.62 3b8i h TRP 278 Ca 0.16 -0.35 -0.03 0.00 0.95 0.00 0.00 58.89 59.62 3b8i h TRP 278 Cb -0.00 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.15 3b8i h TRP 278 CO 0.00 1.15 0.06 0.00 -1.05 0.00 0.00 178.44 178.60 3b8i h ALA 279 N 0.50 1.56 0.00 1.49 0.00 -0.98 0.81 119.26 122.65 3b8i h ALA 279 Ca -0.04 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 3b8i h ALA 279 Cb 1.21 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3b8i h ALA 279 CO 0.12 0.33 -1.01 0.00 0.00 0.00 0.00 179.25 178.68 3b8i h ARG 280 N 0.42 0.59 -0.04 0.00 3.08 -1.22 -2.55 114.38 114.66 3b8i h ARG 280 Ca 0.10 -0.64 -0.19 0.00 0.07 0.00 0.00 59.98 59.32 3b8i h ARG 280 Cb 0.18 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3b8i h ARG 280 CO -0.00 1.25 -0.79 0.22 -1.07 0.00 0.00 179.97 179.57 3b8i h ASP 281 N 0.33 0.41 -0.00 7.04 3.58 -0.83 -3.34 116.42 123.61 3b8i h ASP 281 Ca -0.11 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.05 3b8i h ASP 281 Cb 1.66 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.59 3b8i h ASP 281 CO 0.19 1.05 -0.10 -1.22 -2.88 0.00 0.00 179.24 176.28 3b8i n TYR 282 N -3.78 0.00 -1.23 0.28 4.01 0.25 -4.73 117.16 111.96 3b8i n TYR 282 Ca -0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 3b8i n TYR 282 Cb 0.75 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.83 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 -1.00 0.91 -4.41 -0.72 2.81 -0.96 -5.02 117.12 108.73 3b8i n MET 283 Ca 0.00 -1.60 -0.20 0.00 -1.81 0.00 0.00 57.70 54.10 3b8i n MET 283 Cb 0.03 -0.95 -0.14 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.22 0.94 0.00 0.03 2.02 -1.23 -2.30 118.70 116.94 3b8i s GLU 284 Ca 0.12 -0.66 0.23 0.00 0.02 0.00 0.00 54.97 54.68 3b8i s GLU 284 Cb 0.10 -0.93 1.37 0.00 0.10 0.00 0.00 34.13 34.77 3b8i s GLU 284 CO 0.01 0.24 1.74 0.28 0.02 0.00 0.00 175.26 177.55