#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 3.62 0.96 5.13 0.00 -1.26 -5.00 121.76 125.20 3b8i s ALA 4 Ca 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 3b8i s ALA 4 Cb 0.00 -3.74 0.17 0.00 0.00 0.00 0.00 23.12 19.54 3b8i s ALA 4 CO 0.00 -1.40 1.09 -1.54 0.00 0.00 0.00 175.76 173.91 3b8i s SER 5 N 3.33 2.90 0.30 0.00 1.04 -1.26 -4.78 113.70 115.23 3b8i s SER 5 Ca 0.73 1.39 0.00 0.00 0.48 0.00 0.00 55.95 58.55 3b8i s SER 5 Cb -0.33 -2.07 0.51 0.00 0.10 0.00 0.00 66.02 64.24 3b8i s SER 5 CO 0.29 -2.98 1.90 0.45 0.98 0.00 0.00 173.24 173.88 3b8i h HIS 6 N -1.79 1.08 -0.09 5.02 3.86 -1.95 0.10 115.15 121.38 3b8i h HIS 6 Ca -0.52 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.71 3b8i h HIS 6 Cb 1.31 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 3b8i h HIS 6 CO 0.36 0.56 0.03 1.25 0.86 0.00 0.00 177.93 180.98 3b8i h HIS 7 N 1.05 0.15 -0.83 2.45 -0.00 -1.92 -2.93 115.15 113.13 3b8i h HIS 7 Ca 0.40 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.82 3b8i h HIS 7 Cb 0.21 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 27.52 3b8i h HIS 7 CO -0.00 0.31 0.54 0.93 -0.00 0.00 0.00 177.93 179.72 3b8i h GLU 8 N -0.05 0.91 -0.10 5.26 5.08 -1.70 -1.26 114.58 122.72 3b8i h GLU 8 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3b8i h GLU 8 Cb 0.23 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3b8i h GLU 8 CO -0.00 0.60 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.50 3b8i h LEU 9 N 0.93 0.13 -0.14 1.33 3.38 -0.76 -2.61 115.31 117.58 3b8i h LEU 9 Ca 0.36 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 58.08 3b8i h LEU 9 Cb 0.20 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3b8i h LEU 9 CO -0.13 0.20 -0.95 0.03 0.09 0.00 0.00 178.44 177.69 3b8i h ARG 10 N 0.14 0.52 -0.64 1.13 3.08 -1.05 -1.59 114.38 115.97 3b8i h ARG 10 Ca 0.03 -0.53 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3b8i h ARG 10 Cb 0.17 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3b8i h ARG 10 CO 0.01 1.17 0.29 0.00 -1.07 0.00 0.00 179.97 180.36 3b8i h ALA 11 N 0.65 1.31 -0.36 0.04 0.00 -1.31 -0.26 119.26 119.34 3b8i h ALA 11 Ca -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3b8i h ALA 11 Cb 1.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3b8i h ALA 11 CO 0.17 0.53 0.08 0.52 0.00 0.00 0.00 179.25 180.55 3b8i h MET 12 N 0.90 0.58 0.10 0.00 2.86 -1.17 -0.03 114.93 118.17 3b8i h MET 12 Ca 0.22 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3b8i h MET 12 Cb 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3b8i h MET 12 CO -0.03 0.62 -0.14 0.35 1.06 0.00 0.00 176.91 178.78 3b8i h PHE 13 N 0.43 -0.37 -0.93 -0.22 3.57 -1.09 -2.07 116.94 116.26 3b8i h PHE 13 Ca 0.11 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.77 3b8i h PHE 13 Cb 0.31 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.10 3b8i h PHE 13 CO 0.02 -0.21 0.54 -0.09 -2.23 0.00 0.00 178.31 176.33 3b8i h ARG 14 N -0.29 0.73 -0.47 1.11 9.65 -0.91 -1.97 114.38 122.22 3b8i h ARG 14 Ca 0.02 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.79 3b8i h ARG 14 Cb 0.30 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3b8i h ARG 14 CO -0.07 0.48 0.04 0.00 2.80 0.00 0.00 179.97 183.22 3b8i h ALA 15 N 1.58 1.18 -0.25 2.80 0.00 -0.50 -0.76 119.26 123.31 3b8i h ALA 15 Ca 0.51 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3b8i h ALA 15 Cb 0.70 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3b8i h ALA 15 CO -0.35 0.54 -0.10 -0.07 0.00 0.00 0.00 179.25 179.27 3b8i h LEU 16 N 0.71 -0.34 -1.15 0.00 3.38 -0.70 -2.34 115.31 114.88 3b8i h LEU 16 Ca 0.15 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3b8i h LEU 16 Cb 0.38 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3b8i h LEU 16 CO 0.01 -0.13 0.59 -0.07 0.09 0.00 0.00 178.44 178.93 3b8i h LEU 17 N -0.05 0.89 0.00 1.67 3.38 -0.98 -2.75 115.31 117.46 3b8i h LEU 17 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3b8i h LEU 17 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3b8i h LEU 17 CO -0.29 0.55 -0.04 0.47 0.09 0.00 0.00 178.44 179.22 3b8i n ASP 18 N -4.51 0.21 -3.05 -0.43 8.00 -0.33 -4.86 116.55 111.58 3b8i n ASP 18 Ca 0.14 0.46 -0.16 0.00 0.71 0.00 0.00 54.79 55.94 3b8i n ASP 18 Cb 0.23 -0.50 0.11 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.67 0.05 -0.88 -2.24 3.41 -0.90 -5.01 113.62 106.39 3b8i n SER 19 Ca 0.07 -1.27 0.07 0.00 -0.26 0.00 0.00 58.87 57.48 3b8i n SER 19 Cb 0.36 -0.56 0.23 0.00 -0.26 0.00 0.00 64.21 63.98 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 -3.48 3.65 -4.55 4.04 3.41 -1.26 -5.00 113.62 110.44 3b8i n SER 20 Ca 0.09 -2.59 -0.24 0.00 -0.26 0.00 0.00 58.87 55.87 3b8i n SER 20 Cb 0.32 -0.43 -0.09 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 -2.07 1.95 -0.09 4.33 0.52 -1.26 -4.80 118.95 117.53 3b8i s ARG 21 Ca 0.36 -1.56 -0.10 0.00 -0.52 0.00 0.00 55.73 53.91 3b8i s ARG 21 Cb 0.26 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.71 3b8i s ARG 21 CO 0.13 0.36 0.24 0.00 0.02 0.00 0.00 175.30 176.05 3b8i s TYR 23 N -0.84 2.00 -0.22 0.00 2.02 -0.24 -4.95 117.35 115.13 3b8i s TYR 23 Ca 0.18 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.40 3b8i s TYR 23 Cb -0.14 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 3b8i s TYR 23 CO 0.07 0.16 0.10 -1.01 -1.57 0.00 0.00 175.55 173.30 3b8i s HIS 24 N -0.91 3.24 0.51 2.71 3.76 -1.26 -1.14 115.29 122.20 3b8i s HIS 24 Ca 0.09 0.03 -0.22 0.00 -0.15 0.00 0.00 55.06 54.82 3b8i s HIS 24 Cb -0.09 -2.18 -0.06 0.00 1.11 0.00 0.00 32.58 31.36 3b8i s HIS 24 CO 0.03 0.02 1.22 0.95 -0.85 0.00 0.00 174.74 176.11 3b8i s THR 25 N 0.86 2.74 0.22 1.30 -4.23 -0.66 -4.73 115.64 111.14 3b8i s THR 25 Ca 0.05 0.53 -0.20 0.00 -1.18 0.00 0.00 61.69 60.89 3b8i s THR 25 Cb -0.13 -3.25 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 3b8i s THR 25 CO 0.03 -0.03 0.73 0.00 -0.54 0.00 0.00 174.62 174.80 3b8i s ALA 26 N -1.50 3.42 -0.24 3.99 0.00 -0.86 -4.78 121.76 121.79 3b8i s ALA 26 Ca 0.69 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 3b8i s ALA 26 Cb -0.32 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 3b8i s ALA 26 CO 0.37 0.33 1.55 0.45 0.00 0.00 0.00 175.76 178.46 3b8i s SER 27 N -1.63 6.44 -0.22 0.00 0.15 -1.26 -0.81 113.70 116.36 3b8i s SER 27 Ca 0.43 1.53 -0.00 0.00 0.70 0.00 0.00 55.95 58.61 3b8i s SER 27 Cb -0.17 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.67 3b8i s SER 27 CO 0.21 -1.22 -0.03 -0.69 1.20 0.00 0.00 173.24 172.70 3b8i s VAL 28 N 5.03 1.31 0.00 4.45 1.01 -0.22 -4.85 120.40 127.12 3b8i s VAL 28 Ca 0.68 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3b8i s VAL 28 Cb -0.23 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3b8i s VAL 28 CO 0.28 -0.12 0.09 2.22 0.00 0.00 0.00 175.10 177.57 3b8i n PHE 29 N 4.76 0.00 -3.83 5.22 1.16 -1.26 -3.23 117.46 120.27 3b8i n PHE 29 Ca -0.11 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.41 3b8i n PHE 29 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 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 -0.50 -0.23 0.30 5.98 1.47 -1.26 -4.92 116.67 117.50 3b8i s ASP 30 Ca 0.00 -0.57 -0.00 0.00 1.18 0.00 0.00 52.55 53.16 3b8i s ASP 30 Cb 0.00 0.67 0.50 0.00 -0.34 0.00 0.00 42.92 43.74 3b8i s ASP 30 CO 0.00 -1.23 1.92 -0.65 0.68 0.00 0.00 175.17 175.89 3b8i h PRO 31 N 2.00 1.03 -0.61 2.11 0.11 -1.89 -2.04 132.00 132.72 3b8i h PRO 31 Ca -0.21 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3b8i h PRO 31 Cb 1.24 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3b8i h PRO 31 CO 0.24 0.68 0.38 0.52 -0.21 0.00 0.00 178.00 179.61 3b8i h MET 32 N 1.06 0.82 -0.25 1.05 2.86 -1.98 -1.99 114.93 116.50 3b8i h MET 32 Ca 0.37 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.85 3b8i h MET 32 Cb 0.11 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3b8i h MET 32 CO -0.13 0.58 -0.24 0.66 1.06 0.00 0.00 176.91 178.85 3b8i h SER 33 N 0.82 0.47 -0.46 1.22 4.64 -1.89 -0.05 113.55 118.31 3b8i h SER 33 Ca 0.22 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 3b8i h SER 33 Cb -0.04 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3b8i h SER 33 CO -0.04 0.71 -0.13 0.00 -0.87 0.00 0.00 176.83 176.50 3b8i h ALA 34 N 1.33 0.63 -0.77 5.18 0.00 -1.19 -0.12 119.26 124.32 3b8i h ALA 34 Ca 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3b8i h ALA 34 Cb 0.64 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3b8i h ALA 34 CO 0.05 0.54 0.32 0.00 0.00 0.00 0.00 179.25 180.16 3b8i h ARG 35 N 0.73 1.15 0.07 0.00 3.08 -1.12 -1.93 114.38 116.36 3b8i h ARG 35 Ca 0.11 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3b8i h ARG 35 Cb 0.68 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3b8i h ARG 35 CO 0.05 0.93 -0.03 0.82 -1.07 0.00 0.00 179.97 180.67 3b8i h ILE 36 N 1.12 1.03 -0.64 2.04 2.04 -0.68 -1.63 117.51 120.79 3b8i h ILE 36 Ca 0.26 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3b8i h ILE 36 Cb 0.20 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3b8i h ILE 36 CO -0.02 0.08 0.39 0.00 0.00 0.00 0.00 178.15 178.60 3b8i h ALA 37 N 0.69 0.84 -0.05 1.87 0.00 -0.98 0.13 119.26 121.75 3b8i h ALA 37 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3b8i h ALA 37 Cb 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3b8i h ALA 37 CO 0.01 0.14 0.03 0.00 0.00 0.00 0.00 179.25 179.44 3b8i h ALA 38 N 1.28 0.07 -0.84 0.00 0.00 -1.33 -0.68 119.26 117.76 3b8i h ALA 38 Ca 0.26 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3b8i h ALA 38 Cb 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3b8i h ALA 38 CO -0.11 -0.39 0.48 0.22 0.00 0.00 0.00 179.25 179.44 3b8i h ASP 39 N 0.00 0.67 0.54 0.00 3.58 -0.99 -0.64 116.42 119.58 3b8i h ASP 39 Ca 0.02 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3b8i h ASP 39 Cb 0.08 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3b8i h ASP 39 CO -0.00 0.36 0.00 0.18 -2.88 0.00 0.00 179.24 176.90 3b8i n LEU 40 N -4.76 0.00 0.00 2.28 4.77 0.01 -4.89 117.00 114.42 3b8i n LEU 40 Ca 0.15 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3b8i n LEU 40 Cb 0.31 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3b8i n LEU 40 CO 0.26 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3b8i n GLY 41 N 0.33 0.69 3.65 -0.72 0.00 -0.25 -5.04 105.19 103.85 3b8i n GLY 41 Ca 0.06 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.62 1.87 0.09 1.61 3.72 -0.30 -4.91 117.46 116.92 3b8i n PHE 42 Ca 0.00 0.57 -0.07 0.00 -0.05 0.00 0.00 57.45 57.90 3b8i n PHE 42 Cb 0.00 -2.37 -0.03 0.00 -0.94 0.00 0.00 39.48 36.14 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 3.04 0.07 -3.32 -1.08 3.07 -1.89 -3.44 114.58 111.03 3b8i h GLU 43 Ca -0.44 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.30 3b8i h GLU 43 Cb 1.30 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 29.13 3b8i h GLU 43 CO 0.67 0.92 0.01 0.00 -1.40 0.00 0.00 179.01 179.20 3b8i s GLY 45 N -2.84 2.08 -0.03 0.00 0.00 -0.62 -2.02 107.32 103.89 3b8i s GLY 45 Ca 0.07 -2.05 -0.00 0.00 0.00 0.00 0.00 44.72 42.73 3b8i s GLY 45 CO -0.06 -1.81 0.04 -1.50 0.00 0.00 0.00 173.10 169.76 3b8i s ILE 46 N -3.30 -0.06 -0.43 0.90 1.10 0.01 -1.15 121.20 118.26 3b8i s ILE 46 Ca 0.37 0.27 -0.18 0.00 -0.51 0.00 0.00 60.65 60.59 3b8i s ILE 46 Cb 0.09 -0.11 0.03 0.00 0.15 0.00 0.00 42.46 42.61 3b8i s ILE 46 CO 0.16 0.12 0.49 -0.22 -2.11 0.00 0.00 174.94 173.37 3b8i s LEU 47 N 1.35 4.80 0.11 8.50 2.96 -0.07 -1.06 118.68 135.29 3b8i s LEU 47 Ca -0.05 -0.63 -0.20 0.00 -0.22 0.00 0.00 54.13 53.03 3b8i s LEU 47 Cb -0.13 -2.46 -0.07 0.00 0.50 0.00 0.00 46.19 44.03 3b8i s LEU 47 CO -0.03 -0.65 0.62 -0.83 -1.32 0.00 0.00 176.35 174.14 3b8i s GLY 48 N 1.91 2.68 0.30 7.98 0.00 -1.26 -1.18 107.32 117.76 3b8i s GLY 48 Ca 0.14 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.96 3b8i s GLY 48 CO 0.15 0.50 1.84 -1.33 0.00 0.00 0.00 173.10 174.26 3b8i h GLY 49 N 4.25 0.78 0.67 0.20 0.00 -1.98 -1.03 103.07 105.96 3b8i h GLY 49 Ca -0.49 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 46.45 3b8i h GLY 49 CO 0.64 0.42 0.41 1.48 0.00 0.00 0.00 176.54 179.50 3b8i h SER 50 N 0.70 0.62 -0.19 0.19 4.64 -1.93 -0.73 113.55 116.85 3b8i h SER 50 Ca 0.15 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.31 3b8i h SER 50 Cb 0.30 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3b8i h SER 50 CO 0.00 0.39 -0.63 0.58 -0.87 0.00 0.00 176.83 176.30 3b8i h VAL 51 N 0.75 1.28 -0.77 0.95 2.07 -1.81 -2.03 116.25 116.69 3b8i h VAL 51 Ca 0.32 -1.83 0.10 0.00 0.82 0.00 0.00 66.70 66.11 3b8i h VAL 51 Cb 0.20 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 3b8i h VAL 51 CO -0.19 0.59 0.41 0.00 0.02 0.00 0.00 177.57 178.40 3b8i h ALA 52 N 0.68 1.10 -0.68 1.67 0.00 -0.94 -0.71 119.26 120.37 3b8i h ALA 52 Ca -0.01 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3b8i h ALA 52 Cb 1.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3b8i h ALA 52 CO 0.13 -0.01 0.16 1.03 0.00 0.00 0.00 179.25 180.56 3b8i h SER 53 N 0.67 1.05 -0.10 0.00 0.87 -0.56 0.14 113.55 115.61 3b8i h SER 53 Ca 0.39 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3b8i h SER 53 Cb 0.42 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3b8i h SER 53 CO -0.28 1.02 0.05 -0.07 -0.53 0.00 0.00 176.83 177.01 3b8i h LEU 54 N 1.03 0.07 -0.32 2.23 3.38 -0.96 -1.17 115.31 119.57 3b8i h LEU 54 Ca 0.21 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3b8i h LEU 54 Cb 0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3b8i h LEU 54 CO 0.00 0.05 -0.05 1.56 0.09 0.00 0.00 178.44 180.10 3b8i h GLN 55 N 0.10 0.59 0.18 1.13 4.20 -0.78 -1.20 115.11 119.33 3b8i h GLN 55 Ca 0.04 -0.21 -0.31 0.00 0.06 0.00 0.00 58.65 58.22 3b8i h GLN 55 Cb 0.01 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 27.76 3b8i h GLN 55 CO -0.03 0.76 -1.45 0.28 -0.67 0.00 0.00 178.83 177.72 3b8i h VAL 56 N 0.37 1.29 0.00 -0.54 2.07 -0.79 -3.41 116.25 115.24 3b8i h VAL 56 Ca 0.08 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.79 3b8i h VAL 56 Cb 0.52 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3b8i h VAL 56 CO 0.03 0.84 -0.13 0.18 0.02 0.00 0.00 177.57 178.51 3b8i n LEU 57 N -3.59 0.00 -3.99 2.57 4.77 -0.50 -5.02 117.00 111.24 3b8i n LEU 57 Ca -0.15 -0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 55.22 3b8i n LEU 57 Cb 1.07 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.14 3b8i n LEU 57 CO 0.56 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 176.42 3b8i n ALA 58 N -0.87 -1.88 -2.52 -1.18 0.00 -0.45 -4.97 120.51 108.63 3b8i n ALA 58 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.01 3b8i n ALA 58 Cb 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 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 -3.85 1.72 1.20 0.00 0.00 -1.06 -4.16 121.76 115.61 3b8i s ALA 59 Ca 0.13 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 3b8i s ALA 59 Cb -0.07 -0.17 0.28 0.00 0.00 0.00 0.00 23.12 23.17 3b8i s ALA 59 CO 0.89 0.23 1.04 -2.14 0.00 0.00 0.00 175.76 175.79 3b8i s PRO 60 N -2.36 -1.17 -1.48 0.00 0.02 -1.26 -3.54 135.00 125.21 3b8i s PRO 60 Ca 0.09 0.35 -0.10 0.00 0.02 0.00 0.00 61.00 61.36 3b8i s PRO 60 Cb -0.07 -1.57 0.02 0.00 0.02 0.00 0.00 34.50 32.90 3b8i s PRO 60 CO 0.04 -3.77 2.51 -3.47 -0.33 0.00 0.00 177.00 171.99 3b8i n ASP 61 N -4.87 6.88 -0.95 2.53 2.03 -1.26 -4.61 116.55 116.29 3b8i n ASP 61 Ca 0.08 -2.83 0.08 0.00 0.52 0.00 0.00 54.79 52.65 3b8i n ASP 61 Cb 0.58 -1.53 0.27 0.00 -0.72 0.00 0.00 41.12 39.71 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 3.89 1.01 -3.68 -0.67 3.72 -1.26 -4.97 117.46 115.49 3b8i n PHE 62 Ca 0.63 -0.86 -0.22 0.00 -0.05 0.00 0.00 57.45 56.96 3b8i n PHE 62 Cb 0.29 -0.32 0.04 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.41 -1.92 -0.04 4.37 0.00 -1.26 -4.76 120.51 116.50 3b8i n ALA 63 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3b8i n ALA 63 Cb 0.90 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.83 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 -4.32 0.34 -4.77 0.00 4.77 -1.26 -4.91 117.00 106.85 3b8i n LEU 64 Ca -0.25 0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.51 3b8i n LEU 64 Cb 0.66 0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 41.99 3b8i n LEU 64 CO 0.68 0.28 0.84 -0.51 -1.33 0.00 0.00 177.39 177.36 3b8i s ILE 65 N -2.83 3.00 0.47 -0.08 2.07 -1.26 -5.01 121.20 117.55 3b8i s ILE 65 Ca -0.07 0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 59.86 3b8i s ILE 65 Cb 0.09 -3.38 -0.04 0.00 0.13 0.00 0.00 42.46 39.25 3b8i s ILE 65 CO 0.84 -0.01 0.79 0.42 -1.91 0.00 0.00 174.94 175.07 3b8i s THR 66 N -1.52 4.88 0.28 4.00 -4.23 -1.26 -4.94 115.64 112.84 3b8i s THR 66 Ca 0.64 0.30 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 3b8i s THR 66 Cb -0.30 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 69.98 3b8i s THR 66 CO 0.36 -0.80 1.82 0.25 -0.54 0.00 0.00 174.62 175.71 3b8i h LEU 67 N 0.41 0.84 -0.70 4.79 5.85 -1.95 -1.75 115.31 122.81 3b8i h LEU 67 Ca -0.47 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3b8i h LEU 67 Cb 1.20 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3b8i h LEU 67 CO 0.62 0.43 0.29 0.28 -0.34 0.00 0.00 178.44 179.72 3b8i h SER 68 N 0.91 0.95 -0.32 1.25 0.02 -1.98 -0.67 113.55 113.71 3b8i h SER 68 Ca 0.49 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 3b8i h SER 68 Cb 0.54 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3b8i h SER 68 CO -0.29 0.85 0.16 -0.33 -1.14 0.00 0.00 176.83 176.09 3b8i h GLU 69 N 0.99 0.46 -0.29 3.45 5.08 -1.89 -0.61 114.58 121.76 3b8i h GLU 69 Ca 0.23 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3b8i h GLU 69 Cb 0.19 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3b8i h GLU 69 CO -0.02 0.41 0.07 0.35 -1.00 0.00 0.00 179.01 178.82 3b8i h PHE 70 N 0.38 0.12 -0.61 4.33 3.57 -0.96 -2.56 116.94 121.20 3b8i h PHE 70 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3b8i h PHE 70 Cb 0.10 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3b8i h PHE 70 CO -0.02 0.04 0.27 0.28 -2.23 0.00 0.00 178.31 176.64 3b8i h VAL 71 N 0.18 1.21 -0.74 1.41 2.07 -1.07 -1.76 116.25 117.54 3b8i h VAL 71 Ca 0.13 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3b8i h VAL 71 Cb 0.13 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3b8i h VAL 71 CO -0.16 0.25 0.26 -0.08 0.02 0.00 0.00 177.57 177.86 3b8i h GLU 72 N 0.87 1.14 -0.71 1.57 4.57 -0.86 0.18 114.58 121.34 3b8i h GLU 72 Ca 0.21 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3b8i h GLU 72 Cb 0.13 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 3b8i h GLU 72 CO -0.02 0.95 0.41 1.96 -1.18 0.00 0.00 179.01 181.13 3b8i h GLN 73 N 1.09 0.97 -0.12 1.92 1.08 -1.03 -1.86 115.11 117.16 3b8i h GLN 73 Ca 0.24 -0.10 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 3b8i h GLN 73 Cb 0.27 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3b8i h GLN 73 CO -0.01 0.70 -0.50 0.00 -0.95 0.00 0.00 178.83 178.06 3b8i h ALA 74 N 1.21 0.92 -0.38 3.87 0.00 -0.90 -2.86 119.26 121.12 3b8i h ALA 74 Ca 0.25 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3b8i h ALA 74 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3b8i h ALA 74 CO -0.04 0.66 -0.26 1.15 0.00 0.00 0.00 179.25 180.76 3b8i h THR 75 N 0.26 1.28 -0.38 0.00 2.02 -0.39 0.07 112.91 115.77 3b8i h THR 75 Ca 0.01 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 65.80 3b8i h THR 75 Cb 0.98 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 3b8i h THR 75 CO 0.08 0.47 0.21 0.03 0.37 0.00 0.00 175.52 176.68 3b8i h ARG 76 N 0.64 0.42 -0.56 6.66 3.08 -1.29 -2.20 114.38 121.14 3b8i h ARG 76 Ca 0.07 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3b8i h ARG 76 Cb 0.83 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3b8i h ARG 76 CO 0.07 0.27 0.23 0.82 -1.07 0.00 0.00 179.97 180.29 3b8i h ILE 77 N 0.43 1.22 0.00 2.04 2.04 -1.27 -3.01 117.51 118.95 3b8i h ILE 77 Ca 0.15 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3b8i h ILE 77 Cb 0.03 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3b8i h ILE 77 CO -0.08 0.26 -0.03 1.23 0.00 0.00 0.00 178.15 179.53 3b8i h GLY 78 N 0.76 0.00 2.00 5.37 0.00 -0.38 -1.07 103.07 109.74 3b8i h GLY 78 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3b8i h GLY 78 CO -0.02 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.73 3b8i h ARG 79 N 0.00 0.00 0.00 4.80 3.08 -1.30 -3.36 114.38 117.60 3b8i h ARG 79 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3b8i h ARG 79 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3b8i h ARG 79 CO 0.00 0.00 -0.50 1.33 -1.07 0.00 0.00 179.97 179.74 3b8i n VAL 80 N -2.90 0.00 -1.68 2.04 0.24 -0.79 -5.08 118.33 110.15 3b8i n VAL 80 Ca -0.00 -0.06 -0.47 0.00 -2.04 0.00 0.00 64.34 61.77 3b8i n VAL 80 Cb 0.23 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.87 1.17 0.57 2.33 0.00 -0.47 -4.84 120.51 118.40 3b8i n ALA 81 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.84 3b8i n ALA 81 Cb 0.00 -2.48 0.04 0.00 0.00 0.00 0.00 19.45 17.01 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 5.68 1.21 -4.46 0.00 1.74 -1.26 -4.89 116.66 114.68 3b8i n ARG 82 Ca 0.20 -1.12 -0.27 0.00 -0.77 0.00 0.00 57.85 55.90 3b8i n ARG 82 Cb 0.31 -1.23 -0.13 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.35 2.27 0.23 0.55 2.34 -1.26 -4.97 118.68 116.48 3b8i s LEU 83 Ca 0.14 -0.67 -0.31 0.00 0.06 0.00 0.00 54.13 53.36 3b8i s LEU 83 Cb 0.11 -1.06 -0.11 0.00 -0.56 0.00 0.00 46.19 44.57 3b8i s LEU 83 CO 0.22 0.14 1.56 -2.16 -1.06 0.00 0.00 176.35 175.05 3b8i s PRO 84 N -1.75 4.19 -0.15 1.48 0.04 -1.26 -4.83 135.00 132.73 3b8i s PRO 84 Ca 0.10 2.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 3b8i s PRO 84 Cb -0.10 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 3b8i s PRO 84 CO 0.04 -0.58 -0.12 0.08 0.04 0.00 0.00 177.00 176.46 3b8i s VAL 85 N 0.54 3.06 0.03 -0.36 1.01 -1.26 -1.59 120.40 121.84 3b8i s VAL 85 Ca 0.66 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 3b8i s VAL 85 Cb -0.45 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3b8i s VAL 85 CO 0.39 0.51 0.76 -0.63 0.00 0.00 0.00 175.10 176.13 3b8i s ILE 86 N 0.58 4.77 -0.24 2.22 1.01 -0.30 -1.02 121.20 128.22 3b8i s ILE 86 Ca -0.07 1.61 -0.08 0.00 0.00 0.00 0.00 60.65 62.11 3b8i s ILE 86 Cb -0.15 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3b8i s ILE 86 CO 0.03 0.35 0.11 0.00 0.00 0.00 0.00 174.94 175.43 3b8i s ALA 87 N 0.04 3.33 -0.66 9.38 0.00 0.53 -0.89 121.76 133.49 3b8i s ALA 87 Ca 0.39 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.04 3b8i s ALA 87 Cb -0.20 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.75 3b8i s ALA 87 CO 0.22 -0.36 1.58 0.34 0.00 0.00 0.00 175.76 177.54 3b8i s ASP 88 N 1.39 5.73 -0.23 0.00 2.15 -0.32 -0.71 116.67 124.67 3b8i s ASP 88 Ca 0.06 0.02 0.09 0.00 0.43 0.00 0.00 52.55 53.15 3b8i s ASP 88 Cb -0.15 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.53 3b8i s ASP 88 CO 0.05 -2.08 1.53 0.00 -0.17 0.00 0.00 175.17 174.49 3b8i n ALA 89 N 11.03 3.92 -0.18 3.66 0.00 -0.96 -4.01 120.51 133.97 3b8i n ALA 89 Ca 0.13 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.90 3b8i n ALA 89 Cb 0.50 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.16 0.00 -0.70 0.00 9.92 -1.26 -1.26 116.55 123.41 3b8i n ASP 90 Ca 0.28 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.61 3b8i n ASP 90 Cb 1.09 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.79 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 0.45 -0.66 1.24 1.44 -1.26 -0.64 115.22 129.79 3b8i n HIS 91 Ca 0.00 -0.23 0.00 0.00 -2.01 0.00 0.00 57.72 55.48 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 1.14 0.65 2.64 -1.39 0.00 -0.39 -4.41 105.19 103.42 3b8i n GLY 92 Ca 0.14 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.66 -1.36 0.00 1.61 4.01 -1.26 -2.81 117.16 114.68 3b8i n TYR 93 Ca 0.00 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 3b8i n TYR 93 Cb 0.00 -3.76 0.00 0.00 -0.31 0.00 0.00 39.34 35.27 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 -1.27 0.25 1.49 2.72 0.00 -1.26 -4.86 105.19 102.25 3b8i n GLY 94 Ca -0.13 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 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 0.30 -0.26 1.61 0.23 -1.26 -4.72 115.26 111.15 3b8i n ASN 95 Ca 0.00 -1.32 0.18 0.00 -0.53 0.00 0.00 54.58 52.91 3b8i n ASN 95 Cb 0.00 -0.31 0.48 0.00 -2.08 0.00 0.00 39.78 37.87 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 -1.16 2.13 -0.47 -2.53 0.00 -1.91 -1.04 119.26 114.27 3b8i h ALA 96 Ca -0.14 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3b8i h ALA 96 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3b8i h ALA 96 CO 0.13 -0.43 -0.16 -0.07 0.00 0.00 0.00 179.25 178.72 3b8i h LEU 97 N 0.46 0.93 -0.91 0.00 4.07 -1.96 -2.55 115.31 115.34 3b8i h LEU 97 Ca 0.49 -0.32 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 3b8i h LEU 97 Cb 1.13 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 3b8i h LEU 97 CO -0.21 1.07 -0.05 0.78 -1.08 0.00 0.00 178.44 178.96 3b8i h ASN 98 N 0.81 0.72 -0.58 -0.43 4.21 -1.52 -3.08 115.58 115.71 3b8i h ASN 98 Ca 0.12 -0.19 0.10 0.00 1.21 0.00 0.00 56.30 57.54 3b8i h ASN 98 Cb 0.71 -0.19 -0.08 0.00 -1.12 0.00 0.00 38.32 37.63 3b8i h ASN 98 CO 0.05 0.82 0.14 0.58 -1.29 0.00 0.00 177.43 177.74 3b8i h VAL 99 N 0.69 0.69 -0.49 2.81 2.07 -1.01 0.97 116.25 121.98 3b8i h VAL 99 Ca 0.13 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.64 3b8i h VAL 99 Cb 0.49 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3b8i h VAL 99 CO 0.03 0.05 0.07 0.24 0.02 0.00 0.00 177.57 177.97 3b8i h MET 100 N 0.29 0.19 -0.49 1.57 2.86 -1.37 -0.29 114.93 117.68 3b8i h MET 100 Ca 0.30 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.88 3b8i h MET 100 Cb 0.42 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3b8i h MET 100 CO -0.36 0.12 0.11 0.00 1.06 0.00 0.00 176.91 177.83 3b8i h ARG 101 N 0.19 0.80 -0.66 1.72 3.08 -1.39 -1.30 114.38 116.82 3b8i h ARG 101 Ca 0.25 -0.20 0.14 0.00 0.07 0.00 0.00 59.98 60.24 3b8i h ARG 101 Cb 0.35 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.18 3b8i h ARG 101 CO -0.35 0.78 -0.01 1.15 -1.07 0.00 0.00 179.97 180.47 3b8i h THR 102 N 0.68 0.43 -0.32 2.04 2.02 0.16 -0.37 112.91 117.55 3b8i h THR 102 Ca 0.15 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 3b8i h THR 102 Cb 0.35 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3b8i h THR 102 CO 0.00 0.02 -0.10 0.58 0.37 0.00 0.00 175.52 176.40 3b8i h VAL 103 N 0.10 1.28 -0.07 3.16 2.07 -0.81 -2.47 116.25 119.51 3b8i h VAL 103 Ca 0.35 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.74 3b8i h VAL 103 Cb 0.57 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3b8i h VAL 103 CO -0.58 0.38 -0.12 0.58 0.02 0.00 0.00 177.57 177.84 3b8i h VAL 104 N 0.41 0.67 -0.66 2.57 2.07 -0.89 -0.64 116.25 119.78 3b8i h VAL 104 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 3b8i h VAL 104 Cb 0.60 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3b8i h VAL 104 CO 0.04 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.49 3b8i h GLU 105 N -0.18 1.03 0.13 1.57 4.39 -1.04 -2.58 114.58 117.90 3b8i h GLU 105 Ca 0.07 -0.23 -0.28 0.00 0.34 0.00 0.00 59.36 59.26 3b8i h GLU 105 Cb 0.27 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3b8i h GLU 105 CO -0.17 0.90 -1.24 -0.07 -1.16 0.00 0.00 179.01 177.27 3b8i h LEU 106 N 0.96 0.48 -0.67 1.33 3.38 -1.37 -1.03 115.31 118.39 3b8i h LEU 106 Ca 0.21 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3b8i h LEU 106 Cb 0.31 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3b8i h LEU 106 CO -0.00 1.38 0.43 -0.08 0.09 0.00 0.00 178.44 180.26 3b8i h GLU 107 N 0.10 0.84 -0.14 1.13 4.81 -1.14 -2.46 114.58 117.72 3b8i h GLU 107 Ca -0.14 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.82 3b8i h GLU 107 Cb 1.95 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 31.15 3b8i h GLU 107 CO 0.21 0.56 -0.78 -0.09 -0.73 0.00 0.00 179.01 178.17 3b8i h ARG 108 N 0.86 0.78 -1.27 1.92 2.43 -1.40 -1.66 114.38 116.05 3b8i h ARG 108 Ca 0.26 -0.65 0.37 0.00 -0.81 0.00 0.00 59.98 59.15 3b8i h ARG 108 Cb -0.04 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3b8i h ARG 108 CO -0.08 1.25 0.93 0.00 -1.51 0.00 0.00 179.97 180.56 3b8i h ALA 109 N 0.53 3.19 0.00 2.80 0.00 -1.04 -3.46 119.26 121.28 3b8i h ALA 109 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b8i h ALA 109 Cb 1.42 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3b8i h ALA 109 CO 0.16 -1.58 0.00 0.41 0.00 0.00 0.00 179.25 178.24 3b8i n GLY 110 N -1.78 1.17 3.73 0.00 0.00 -0.62 -4.33 105.19 103.35 3b8i n GLY 110 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 3b8i n GLY 110 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3b8i n ILE 111 N -1.53 3.82 0.09 -0.61 0.13 -1.03 -4.83 119.36 115.40 3b8i n ILE 111 Ca 0.00 -0.50 -0.00 0.00 -1.10 0.00 0.00 62.75 61.15 3b8i n ILE 111 Cb 0.00 -1.60 -0.04 0.00 -0.84 0.00 0.00 39.64 37.16 3b8i n ILE 111 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3b8i h ALA 112 N 1.32 0.62 -1.79 1.51 0.00 -1.41 -3.45 119.26 116.06 3b8i h ALA 112 Ca -0.50 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 53.72 3b8i h ALA 112 Cb 1.31 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.94 3b8i h ALA 112 CO 0.56 0.85 0.35 0.00 0.00 0.00 0.00 179.25 181.02 3b8i s ALA 113 N -2.90 -1.85 0.04 0.00 0.00 -1.22 -1.96 121.76 113.87 3b8i s ALA 113 Ca 0.01 1.54 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 3b8i s ALA 113 Cb 0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3b8i s ALA 113 CO 0.78 -0.33 0.02 -0.48 0.00 0.00 0.00 175.76 175.75 3b8i s LEU 114 N -0.89 2.14 -0.11 0.00 0.05 -0.28 -0.35 118.68 119.26 3b8i s LEU 114 Ca -0.05 -0.66 -0.02 0.00 0.05 0.00 0.00 54.13 53.45 3b8i s LEU 114 Cb -0.01 0.33 -0.03 0.00 -2.05 0.00 0.00 46.19 44.43 3b8i s LEU 114 CO 0.04 -0.47 -0.04 0.42 -0.55 0.00 0.00 176.35 175.76 3b8i s THR 115 N -2.64 3.95 -0.16 5.48 -4.23 0.11 -0.71 115.64 117.44 3b8i s THR 115 Ca -0.05 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 3b8i s THR 115 Cb -0.01 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3b8i s THR 115 CO -0.05 0.56 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.79 3b8i s ILE 116 N -0.37 2.51 0.20 2.99 -1.09 0.57 -2.27 121.20 123.74 3b8i s ILE 116 Ca 0.06 -0.82 0.05 0.00 -2.23 0.00 0.00 60.65 57.72 3b8i s ILE 116 Cb -0.12 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 3b8i s ILE 116 CO 0.02 0.52 0.25 -1.83 -1.23 0.00 0.00 174.94 172.67 3b8i s GLU 117 N 0.94 3.18 -0.24 2.79 -1.05 0.19 -0.37 118.70 124.14 3b8i s GLU 117 Ca -0.03 -0.82 0.14 0.00 -0.15 0.00 0.00 54.97 54.11 3b8i s GLU 117 Cb -0.15 -2.77 0.81 0.00 -0.44 0.00 0.00 34.13 31.59 3b8i s GLU 117 CO -0.03 0.46 1.74 -0.40 0.95 0.00 0.00 175.26 177.98 3b8i n ASP 118 N -0.91 5.69 -4.77 0.83 5.68 -1.03 -4.37 116.55 117.67 3b8i n ASP 118 Ca -0.08 -2.95 -0.40 0.00 -0.50 0.00 0.00 54.79 50.86 3b8i n ASP 118 Cb 0.56 -0.68 -0.03 0.00 -1.14 0.00 0.00 41.12 39.83 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 -2.79 3.02 -0.49 2.12 2.01 -1.26 -0.96 115.64 117.29 3b8i s THR 119 Ca 0.54 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.27 3b8i s THR 119 Cb 0.42 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 69.31 3b8i s THR 119 CO 0.16 0.23 1.16 -0.22 -0.69 0.00 0.00 174.62 175.26 3b8i s LEU 120 N -1.73 3.60 0.03 4.42 0.20 0.11 -4.67 118.68 120.65 3b8i s LEU 120 Ca 0.48 0.42 0.02 0.00 0.69 0.00 0.00 54.13 55.74 3b8i s LEU 120 Cb -0.36 -3.48 -0.02 0.00 -0.43 0.00 0.00 46.19 41.89 3b8i s LEU 120 CO 0.48 -1.31 -0.07 -0.76 -0.29 0.00 0.00 176.35 174.40 3b8i s LEU 121 N 4.61 2.22 0.00 -0.68 1.43 -1.26 -4.37 118.68 120.64 3b8i s LEU 121 Ca 0.48 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 3b8i s LEU 121 Cb -0.07 -0.14 0.30 0.00 0.03 0.00 0.00 46.19 46.30 3b8i s LEU 121 CO 0.31 -0.18 1.09 -0.81 0.23 0.00 0.00 176.35 176.98 3b8i n PRO 122 N 1.66 -3.03 -1.62 1.29 -0.04 -1.26 -4.83 135.00 127.16 3b8i n PRO 122 Ca -0.22 -1.73 -0.45 0.00 -0.04 0.00 0.00 63.50 61.06 3b8i n PRO 122 Cb 0.55 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 3b8i n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b8i n ALA 123 N -4.80 0.21 -2.26 0.55 0.00 -1.26 -4.99 120.51 107.96 3b8i n ALA 123 Ca -0.20 0.40 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 3b8i n ALA 123 Cb 0.58 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.15 4.11 0.20 0.00 -0.21 -1.26 -5.02 119.66 116.33 3b8i s GLN 124 Ca 0.63 0.66 -0.33 0.00 0.02 0.00 0.00 55.36 56.34 3b8i s GLN 124 Cb -0.70 -2.99 -0.14 0.00 1.00 0.00 0.00 33.01 30.19 3b8i s GLN 124 CO 0.57 0.49 1.46 0.34 -2.12 0.00 0.00 175.29 176.03 3b8i n PHE 125 N 0.98 2.16 -1.10 0.91 7.35 -1.26 -2.23 117.46 124.27 3b8i n PHE 125 Ca -0.06 0.38 -0.04 0.00 -0.76 0.00 0.00 57.45 56.98 3b8i n PHE 125 Cb 0.51 -2.48 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 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 2.65 0.63 3.01 7.13 0.00 0.26 -5.00 105.19 113.87 3b8i n GLY 126 Ca 0.14 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.65 1.79 -0.06 1.61 1.81 -0.95 -4.95 118.95 116.55 3b8i s ARG 127 Ca 0.00 -1.44 -0.27 0.00 -1.72 0.00 0.00 55.73 52.30 3b8i s ARG 127 Cb 0.00 -2.89 -0.22 0.00 -0.45 0.00 0.00 34.95 31.39 3b8i s ARG 127 CO 0.00 -0.72 1.08 0.87 -0.68 0.00 0.00 175.30 175.85 3b8i h LYS 128 N 7.77 0.02 -6.88 3.54 1.79 -1.94 -3.43 116.57 117.43 3b8i h LYS 128 Ca -0.14 -0.02 -0.57 0.00 -2.18 0.00 0.00 60.65 57.75 3b8i h LYS 128 Cb 1.04 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.85 3b8i h LYS 128 CO 0.47 0.70 0.27 -1.13 -1.08 0.00 0.00 179.45 178.68 3b8i n SER 129 N -4.74 1.36 -4.89 0.86 3.41 -1.26 -5.01 113.62 103.35 3b8i n SER 129 Ca -0.09 0.87 -0.31 0.00 -0.26 0.00 0.00 58.87 59.08 3b8i n SER 129 Cb 0.35 -1.44 -0.05 0.00 -0.26 0.00 0.00 64.21 62.81 3b8i n SER 129 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3b8i s THR 130 N -1.43 5.04 -0.01 6.66 -1.32 -1.26 -4.96 115.64 118.36 3b8i s THR 130 Ca 0.74 0.25 -0.05 0.00 -1.21 0.00 0.00 61.69 61.42 3b8i s THR 130 Cb -0.43 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 66.93 3b8i s THR 130 CO 0.48 -0.05 0.10 -1.81 -2.21 0.00 0.00 174.62 171.14 3b8i s ASP 131 N -2.46 0.03 0.11 8.08 1.01 -1.26 -5.09 116.67 117.09 3b8i s ASP 131 Ca 0.44 -0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.54 3b8i s ASP 131 Cb -0.12 0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.97 3b8i s ASP 131 CO 0.23 -0.28 0.30 -0.76 0.21 0.00 0.00 175.17 174.87 3b8i s LEU 132 N -1.05 4.31 0.82 1.23 1.02 -1.26 0.09 118.68 123.84 3b8i s LEU 132 Ca -0.11 0.39 -0.11 0.00 0.02 0.00 0.00 54.13 54.31 3b8i s LEU 132 Cb -0.06 -3.10 0.09 0.00 0.02 0.00 0.00 46.19 43.13 3b8i s LEU 132 CO 0.01 0.09 1.09 0.27 0.02 0.00 0.00 176.35 177.83 3b8i s ILE 133 N -1.63 3.05 0.83 -0.59 -4.36 -0.14 -4.68 121.20 113.67 3b8i s ILE 133 Ca 0.37 0.34 -0.12 0.00 -0.26 0.00 0.00 60.65 60.99 3b8i s ILE 133 Cb -0.12 -2.82 0.09 0.00 1.25 0.00 0.00 42.46 40.86 3b8i s ILE 133 CO 0.27 -0.44 1.15 0.00 0.24 0.00 0.00 174.94 176.15 3b8i h VAL 135 N -1.25 1.21 -0.42 0.00 3.04 -1.98 -1.94 116.25 114.92 3b8i h VAL 135 Ca -0.44 -0.76 0.02 0.00 -1.01 0.00 0.00 66.70 64.51 3b8i h VAL 135 Cb 1.26 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.25 3b8i h VAL 135 CO 0.46 0.28 0.23 -0.33 -1.01 0.00 0.00 177.57 177.20 3b8i h GLU 136 N 0.70 0.45 -0.78 4.17 3.07 -1.99 0.15 114.58 120.35 3b8i h GLU 136 Ca 0.16 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3b8i h GLU 136 Cb 0.28 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 3b8i h GLU 136 CO -0.00 0.30 0.38 1.49 -1.40 0.00 0.00 179.01 179.77 3b8i h GLU 137 N 0.47 1.12 -0.61 2.33 4.81 -1.83 -1.96 114.58 118.91 3b8i h GLU 137 Ca 0.17 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3b8i h GLU 137 Cb 0.04 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3b8i h GLU 137 CO -0.09 0.86 0.40 0.78 -0.73 0.00 0.00 179.01 180.23 3b8i h GLY 138 N 1.15 0.86 0.99 1.92 0.00 -0.82 -0.80 103.07 106.37 3b8i h GLY 138 Ca 0.27 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3b8i h GLY 138 CO -0.03 0.32 0.12 -2.08 0.00 0.00 0.00 176.54 174.87 3b8i h VAL 139 N 0.83 1.25 -0.82 4.60 2.07 -0.49 -1.43 116.25 122.26 3b8i h VAL 139 Ca 0.22 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3b8i h VAL 139 Cb -0.09 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3b8i h VAL 139 CO -0.05 0.32 0.39 1.23 0.02 0.00 0.00 177.57 179.49 3b8i h GLY 140 N 0.75 1.26 0.94 2.17 0.00 -1.10 -0.30 103.07 106.79 3b8i h GLY 140 Ca 0.17 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3b8i h GLY 140 CO 0.00 0.59 0.14 0.50 0.00 0.00 0.00 176.54 177.78 3b8i h LYS 141 N 1.16 0.57 -0.27 4.80 1.57 -0.80 -0.19 116.57 123.40 3b8i h LYS 141 Ca 0.28 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3b8i h LYS 141 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3b8i h LYS 141 CO -0.04 0.56 0.18 0.82 -0.57 0.00 0.00 179.45 180.40 3b8i h ILE 142 N 0.47 1.06 -0.31 1.86 1.08 -1.01 -0.19 117.51 120.47 3b8i h ILE 142 Ca 0.13 -0.12 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 3b8i h ILE 142 Cb 0.21 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 3b8i h ILE 142 CO -0.01 0.07 -0.17 0.03 -0.69 0.00 0.00 178.15 177.38 3b8i h ARG 143 N 0.36 0.55 -0.75 2.37 3.08 -0.91 -2.00 114.38 117.08 3b8i h ARG 143 Ca 0.10 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3b8i h ARG 143 Cb -0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3b8i h ARG 143 CO -0.03 0.70 0.23 0.00 -1.07 0.00 0.00 179.97 179.80 3b8i h ALA 144 N 1.32 0.98 -0.42 0.04 0.00 -0.78 -2.22 119.26 118.19 3b8i h ALA 144 Ca 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3b8i h ALA 144 Cb 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3b8i h ALA 144 CO 0.04 0.67 0.24 0.00 0.00 0.00 0.00 179.25 180.20 3b8i h ALA 145 N 1.12 0.53 -0.81 0.00 0.00 -0.67 -1.77 119.26 117.65 3b8i h ALA 145 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3b8i h ALA 145 Cb 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3b8i h ALA 145 CO -0.01 0.04 0.38 -0.07 0.00 0.00 0.00 179.25 179.59 3b8i h LEU 146 N 0.54 1.07 -1.20 0.00 3.38 -1.29 -1.53 115.31 116.28 3b8i h LEU 146 Ca 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3b8i h LEU 146 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3b8i h LEU 146 CO -0.03 0.91 0.03 -0.08 0.09 0.00 0.00 178.44 179.37 3b8i h GLU 147 N 1.16 0.58 0.00 1.13 4.57 -1.36 -3.16 114.58 117.50 3b8i h GLU 147 Ca 0.28 -0.12 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 3b8i h GLU 147 Cb 0.13 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3b8i h GLU 147 CO -0.03 0.59 -0.61 0.00 -1.18 0.00 0.00 179.01 177.77 3b8i h ALA 148 N 1.48 0.73 -2.18 2.92 0.00 -0.54 -3.45 119.26 118.22 3b8i h ALA 148 Ca 0.12 -0.55 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 3b8i h ALA 148 Cb 0.31 -0.10 0.07 0.00 0.00 0.00 0.00 17.79 18.08 3b8i h ALA 148 CO 0.01 0.76 0.62 -2.13 0.00 0.00 0.00 179.25 178.51 3b8i n ARG 149 N -3.44 1.89 -0.05 0.00 0.63 -0.65 -4.67 116.66 110.37 3b8i n ARG 149 Ca 0.00 0.68 -0.05 0.00 -0.92 0.00 0.00 57.85 57.56 3b8i n ARG 149 Cb 0.70 -2.35 -0.02 0.00 0.45 0.00 0.00 32.46 31.24 3b8i n ARG 149 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3b8i n VAL 150 N 2.46 0.87 -2.18 5.15 0.31 -1.26 -4.90 118.33 118.77 3b8i n VAL 150 Ca 0.15 0.29 -0.43 0.00 -0.01 0.00 0.00 64.34 64.33 3b8i n VAL 150 Cb 0.28 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.22 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 -5.13 6.39 0.61 4.52 -1.08 -1.26 -4.89 116.67 115.82 3b8i s ASP 151 Ca -0.16 1.45 0.34 0.00 -0.52 0.00 0.00 52.55 53.66 3b8i s ASP 151 Cb 0.02 -2.53 2.00 0.00 -1.46 0.00 0.00 42.92 40.95 3b8i s ASP 151 CO 0.24 -1.28 2.29 -0.65 0.52 0.00 0.00 175.17 176.29 3b8i h PRO 152 N 10.64 0.00 0.00 4.34 0.11 -2.01 -1.86 132.00 143.22 3b8i h PRO 152 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3b8i h PRO 152 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3b8i h PRO 152 CO 1.02 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.75 3b8i h ALA 153 N 2.00 1.04 -2.48 -0.75 0.00 -1.95 -3.44 119.26 113.67 3b8i h ALA 153 Ca -0.00 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.30 3b8i h ALA 153 Cb 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 17.85 3b8i h ALA 153 CO 0.00 0.07 0.85 -0.11 0.00 0.00 0.00 179.25 180.06 3b8i n LEU 154 N -3.21 3.59 -4.59 0.00 7.94 -0.70 -4.73 117.00 115.30 3b8i n LEU 154 Ca -0.00 1.10 -0.38 0.00 -1.11 0.00 0.00 56.01 55.61 3b8i n LEU 154 Cb 0.29 -1.50 -0.11 0.00 0.53 0.00 0.00 43.42 42.63 3b8i n LEU 154 CO 0.28 -0.10 -0.17 -0.89 -1.11 0.00 0.00 177.39 175.40 3b8i s THR 155 N 0.68 5.31 -0.25 1.96 2.01 -0.83 -5.01 115.64 119.51 3b8i s THR 155 Ca 0.73 0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.84 3b8i s THR 155 Cb -0.59 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 3b8i s THR 155 CO 0.40 0.25 0.07 -0.63 -0.69 0.00 0.00 174.62 174.02 3b8i s ILE 156 N 1.76 4.33 -0.12 1.82 1.01 -1.26 -1.12 121.20 127.61 3b8i s ILE 156 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3b8i s ILE 156 Cb -0.16 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 3b8i s ILE 156 CO 0.11 0.34 -0.18 -0.63 0.00 0.00 0.00 174.94 174.57 3b8i s ILE 157 N 1.62 2.53 -0.19 2.92 1.01 0.12 -0.44 121.20 128.76 3b8i s ILE 157 Ca 0.06 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 3b8i s ILE 157 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3b8i s ILE 157 CO 0.04 0.54 0.48 0.00 0.00 0.00 0.00 174.94 176.00 3b8i s ALA 158 N 0.44 3.54 -0.12 9.38 0.00 -0.95 -0.31 121.76 133.74 3b8i s ALA 158 Ca -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 3b8i s ALA 158 Cb -0.17 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 3b8i s ALA 158 CO 0.06 -0.36 -0.07 0.50 0.00 0.00 0.00 175.76 175.89 3b8i s ARG 159 N 1.45 3.33 0.30 0.00 3.52 0.50 -0.70 118.95 127.35 3b8i s ARG 159 Ca 0.23 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.29 3b8i s ARG 159 Cb -0.15 -2.76 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 3b8i s ARG 159 CO 0.09 0.37 0.10 -0.08 -0.81 0.00 0.00 175.30 174.97 3b8i s THR 160 N -0.01 0.70 -0.31 4.11 -1.32 -0.41 -2.47 115.64 115.94 3b8i s THR 160 Ca -0.00 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.46 3b8i s THR 160 Cb -0.14 -2.63 0.05 0.00 -1.51 0.00 0.00 72.50 68.28 3b8i s THR 160 CO 0.03 0.00 0.01 0.21 -2.21 0.00 0.00 174.62 172.66 3b8i s ASN 161 N -3.41 4.91 0.00 8.08 3.84 -1.26 -1.80 114.94 125.30 3b8i s ASN 161 Ca 0.36 -1.31 0.30 0.00 0.21 0.00 0.00 52.86 52.42 3b8i s ASN 161 Cb 0.07 -1.72 1.41 0.00 -0.55 0.00 0.00 41.25 40.47 3b8i s ASN 161 CO 0.15 -0.27 1.95 0.00 -2.79 0.00 0.00 177.10 176.14 3b8i n ALA 162 N 4.62 2.68 0.07 1.71 0.00 0.42 -4.29 120.51 125.72 3b8i n ALA 162 Ca -0.13 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 3b8i n ALA 162 Cb 0.43 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 3b8i n ALA 162 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3b8i h GLU 163 N 0.94 -0.15 0.00 0.00 4.81 -1.65 -3.39 114.58 115.13 3b8i h GLU 163 Ca 0.00 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.04 3b8i h GLU 163 Cb 0.27 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3b8i h GLU 163 CO 0.00 0.08 -2.10 1.28 -0.73 0.00 0.00 179.01 177.54 3b8i n LEU 164 N -5.06 0.00 -4.92 1.64 4.77 -1.26 -4.94 117.00 107.23 3b8i n LEU 164 Ca -0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.64 3b8i n LEU 164 Cb 0.17 0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3b8i n LEU 164 CO 0.33 0.26 0.44 0.27 -1.33 0.00 0.00 177.39 177.37 3b8i s ILE 165 N -2.81 4.15 0.52 -0.08 -4.36 -1.26 -5.07 121.20 112.29 3b8i s ILE 165 Ca -0.08 -0.06 -0.07 0.00 -0.26 0.00 0.00 60.65 60.18 3b8i s ILE 165 Cb 0.08 -3.60 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 3b8i s ILE 165 CO 0.77 -0.56 0.85 1.51 0.24 0.00 0.00 174.94 177.75 3b8i s ASP 166 N -4.22 6.21 0.26 4.36 -4.77 -1.26 -4.82 116.67 112.43 3b8i s ASP 166 Ca 0.50 1.03 -0.02 0.00 -3.30 0.00 0.00 52.55 50.76 3b8i s ASP 166 Cb -0.10 -2.26 0.47 0.00 -1.09 0.00 0.00 42.92 39.93 3b8i s ASP 166 CO 0.43 -0.68 1.82 1.62 0.70 0.00 0.00 175.17 179.06 3b8i h VAL 167 N 0.07 0.91 -0.25 2.11 3.04 -1.97 0.37 116.25 120.53 3b8i h VAL 167 Ca -0.46 -0.30 -0.06 0.00 -1.01 0.00 0.00 66.70 64.87 3b8i h VAL 167 Cb 1.20 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 3b8i h VAL 167 CO 0.62 0.16 -0.11 0.44 -1.01 0.00 0.00 177.57 177.66 3b8i h ASP 168 N 0.87 0.39 -0.15 3.17 3.32 -1.99 0.42 116.42 122.45 3b8i h ASP 168 Ca 0.44 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.23 3b8i h ASP 168 Cb 0.42 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3b8i h ASP 168 CO -0.26 0.54 -0.51 0.00 -1.72 0.00 0.00 179.24 177.28 3b8i h ALA 169 N 1.51 0.61 -0.48 3.45 0.00 -1.33 -0.52 119.26 122.50 3b8i h ALA 169 Ca 0.07 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3b8i h ALA 169 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3b8i h ALA 169 CO 0.02 0.68 0.11 0.28 0.00 0.00 0.00 179.25 180.34 3b8i h VAL 170 N 0.57 1.24 -0.62 0.00 2.07 -0.68 -1.61 116.25 117.21 3b8i h VAL 170 Ca 0.02 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3b8i h VAL 170 Cb 1.09 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3b8i h VAL 170 CO 0.11 0.30 0.39 0.40 0.02 0.00 0.00 177.57 178.79 3b8i h ILE 171 N 0.65 1.18 0.01 4.57 2.04 -0.90 -0.06 117.51 124.99 3b8i h ILE 171 Ca 0.15 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3b8i h ILE 171 Cb 0.34 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3b8i h ILE 171 CO 0.00 0.18 -0.00 -0.61 0.00 0.00 0.00 178.15 177.72 3b8i h GLN 172 N 0.85 -0.01 -0.29 2.37 4.15 -0.92 -1.54 115.11 119.72 3b8i h GLN 172 Ca 0.23 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 3b8i h GLN 172 Cb -0.05 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3b8i h GLN 172 CO -0.04 0.00 0.04 0.00 -1.93 0.00 0.00 178.83 176.90 3b8i h ARG 173 N -0.02 0.48 -0.36 1.69 3.08 -1.11 -1.92 114.38 116.23 3b8i h ARG 173 Ca -0.00 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 3b8i h ARG 173 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3b8i h ARG 173 CO 0.00 0.60 -0.07 1.79 -1.07 0.00 0.00 179.97 181.22 3b8i h THR 174 N 0.30 1.27 -0.94 2.04 1.35 -1.03 -0.12 112.91 115.79 3b8i h THR 174 Ca 0.09 -1.12 0.04 0.00 -0.55 0.00 0.00 66.41 64.87 3b8i h THR 174 Cb 0.35 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 67.98 3b8i h THR 174 CO 0.01 0.37 0.60 -0.07 -0.25 0.00 0.00 175.52 176.18 3b8i h LEU 175 N 0.48 0.99 -0.60 3.87 3.38 -1.29 0.11 115.31 122.25 3b8i h LEU 175 Ca 0.09 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 3b8i h LEU 175 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3b8i h LEU 175 CO 0.03 0.66 -0.62 0.00 0.09 0.00 0.00 178.44 178.60 3b8i h ALA 176 N 1.40 0.79 -0.17 1.53 0.00 -0.97 0.24 119.26 122.08 3b8i h ALA 176 Ca 0.38 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 3b8i h ALA 176 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3b8i h ALA 176 CO -0.14 0.74 -0.62 1.88 0.00 0.00 0.00 179.25 181.11 3b8i h TYR 177 N 0.21 0.78 -0.35 0.00 0.99 -0.70 0.85 116.97 118.75 3b8i h TYR 177 Ca -0.01 -0.30 0.02 0.00 2.00 0.00 0.00 58.73 60.44 3b8i h TYR 177 Cb 1.14 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.71 3b8i h TYR 177 CO 0.03 1.07 0.20 0.37 -0.00 0.00 0.00 178.16 179.82 3b8i h GLN 178 N 0.45 0.40 -0.20 4.88 4.15 -0.58 -1.34 115.11 122.86 3b8i h GLN 178 Ca -0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 3b8i h GLN 178 Cb 1.19 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 3b8i h GLN 178 CO 0.12 0.26 -0.31 1.49 -1.93 0.00 0.00 178.83 178.47 3b8i h GLU 179 N 0.41 0.41 0.00 1.69 4.57 -0.34 -1.92 114.58 119.40 3b8i h GLU 179 Ca 0.14 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3b8i h GLU 179 Cb 0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3b8i h GLU 179 CO -0.07 0.68 0.00 0.00 -1.18 0.00 0.00 179.01 178.44 3b8i n ALA 180 N -2.48 1.37 0.00 2.92 0.00 0.28 -4.86 120.51 117.74 3b8i n ALA 180 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3b8i n ALA 180 Cb 0.43 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3b8i n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8i n GLY 181 N -0.63 1.08 3.49 0.00 0.00 -0.72 -4.68 105.19 103.73 3b8i n GLY 181 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.74 -1.06 0.17 4.61 0.00 -0.53 -4.89 120.51 117.07 3b8i n ALA 182 Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.70 3b8i n ALA 182 Cb 0.00 -1.86 0.09 0.00 0.00 0.00 0.00 19.45 17.68 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 0.91 0.00 -5.03 0.00 3.32 -1.10 -3.46 116.42 111.06 3b8i h ASP 183 Ca -0.42 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 3b8i h ASP 183 Cb 1.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 3b8i h ASP 183 CO 0.52 0.09 0.23 -0.83 -1.72 0.00 0.00 179.24 177.53 3b8i s GLY 184 N -4.32 0.28 -0.10 2.75 0.00 -1.19 -4.15 107.32 100.60 3b8i s GLY 184 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.12 3b8i s GLY 184 CO 0.72 -0.28 -0.13 -0.42 0.00 0.00 0.00 173.10 172.99 3b8i s ILE 185 N -2.90 1.33 -0.12 0.90 -1.09 -0.87 -2.23 121.20 116.23 3b8i s ILE 185 Ca 0.15 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 57.99 3b8i s ILE 185 Cb -0.05 -1.23 -0.03 0.00 -1.58 0.00 0.00 42.46 39.56 3b8i s ILE 185 CO 0.10 0.41 0.02 0.00 -1.23 0.00 0.00 174.94 174.24 3b8i s LEU 187 N -0.47 1.67 0.11 0.00 1.43 0.10 -1.28 118.68 120.24 3b8i s LEU 187 Ca 0.09 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3b8i s LEU 187 Cb -0.12 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 3b8i s LEU 187 CO 0.02 0.00 0.02 0.54 0.23 0.00 0.00 176.35 177.17 3b8i s VAL 188 N 1.04 4.08 -0.27 -1.59 0.11 -0.75 -1.04 120.40 121.98 3b8i s VAL 188 Ca -0.06 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 3b8i s VAL 188 Cb -0.15 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 3b8i s VAL 188 CO -0.02 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 3b8i n GLY 189 N 0.35 0.58 3.71 6.54 0.00 -1.26 -0.43 105.19 114.68 3b8i n GLY 189 Ca -0.10 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.05 3.40 -0.02 1.61 1.01 -1.26 -3.27 120.40 119.82 3b8i s VAL 190 Ca 0.00 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 3b8i s VAL 190 Cb 0.00 -3.64 -0.16 0.00 0.00 0.00 0.00 36.38 32.58 3b8i s VAL 190 CO 0.00 0.07 1.05 0.03 0.00 0.00 0.00 175.10 176.25 3b8i h ARG 191 N 6.86 -0.31 0.00 2.72 3.08 -1.94 -3.50 114.38 121.29 3b8i h ARG 191 Ca -0.42 0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.76 3b8i h ARG 191 Cb 1.21 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3b8i h ARG 191 CO 0.86 0.06 0.42 -0.40 -1.07 0.00 0.00 179.97 179.84 3b8i n ASP 192 N -5.03 -1.32 -0.36 7.04 5.68 -1.26 -4.79 116.55 116.50 3b8i n ASP 192 Ca -0.09 -1.72 0.02 0.00 -0.50 0.00 0.00 54.79 52.51 3b8i n ASP 192 Cb 0.26 2.16 0.16 0.00 -1.14 0.00 0.00 41.12 42.56 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 1.73 1.18 -0.12 2.11 0.04 -1.97 0.13 116.94 120.04 3b8i h PHE 193 Ca -0.21 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.60 3b8i h PHE 193 Cb 0.89 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3b8i h PHE 193 CO 0.00 0.62 0.07 0.00 -0.60 0.00 0.00 178.31 178.41 3b8i h ALA 194 N 1.44 0.14 -0.33 2.45 0.00 -1.97 0.34 119.26 121.34 3b8i h ALA 194 Ca 0.42 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.39 3b8i h ALA 194 Cb 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3b8i h ALA 194 CO -0.16 -0.37 -0.08 1.25 0.00 0.00 0.00 179.25 179.88 3b8i h HIS 195 N 0.15 -0.18 -0.65 0.00 -0.00 -1.82 -2.64 115.15 110.02 3b8i h HIS 195 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 3b8i h HIS 195 Cb -0.01 0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 3b8i h HIS 195 CO -0.07 -0.14 0.38 1.25 -0.00 0.00 0.00 177.93 179.34 3b8i h LEU 196 N -0.00 0.79 -0.91 0.26 5.85 -0.44 -2.90 115.31 117.96 3b8i h LEU 196 Ca 0.16 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3b8i h LEU 196 Cb 0.24 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3b8i h LEU 196 CO -0.34 0.64 0.52 -0.33 -0.34 0.00 0.00 178.44 178.59 3b8i h GLU 197 N 0.89 1.25 -0.07 1.25 5.08 -0.08 0.17 114.58 123.07 3b8i h GLU 197 Ca 0.23 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3b8i h GLU 197 Cb 0.00 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3b8i h GLU 197 CO -0.04 0.90 -0.02 0.00 -1.00 0.00 0.00 179.01 178.85 3b8i h ALA 198 N 1.28 0.04 -0.29 3.43 0.00 -1.28 -1.96 119.26 120.49 3b8i h ALA 198 Ca 0.32 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 3b8i h ALA 198 Cb -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3b8i h ALA 198 CO -0.06 -0.49 -0.49 0.82 0.00 0.00 0.00 179.25 179.03 3b8i h ILE 199 N -0.00 1.29 0.00 0.00 2.04 -1.34 -3.23 117.51 116.26 3b8i h ILE 199 Ca 0.03 -1.69 -0.07 0.00 1.00 0.00 0.00 64.86 64.13 3b8i h ILE 199 Cb 0.05 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3b8i h ILE 199 CO -0.07 0.55 -0.33 0.00 0.00 0.00 0.00 178.15 178.29 3b8i h ALA 200 N 0.82 1.29 -0.71 1.87 0.00 -0.61 -3.36 119.26 118.56 3b8i h ALA 200 Ca 0.03 -0.30 0.14 0.00 0.00 0.00 0.00 54.91 54.78 3b8i h ALA 200 Cb 1.07 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3b8i h ALA 200 CO 0.11 0.42 0.21 1.49 0.00 0.00 0.00 179.25 181.47 3b8i h GLU 201 N 0.00 0.32 -0.35 0.00 4.81 -1.37 -1.72 114.58 116.26 3b8i h GLU 201 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3b8i h GLU 201 Cb 0.65 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3b8i h GLU 201 CO 0.04 0.21 0.00 0.72 -0.73 0.00 0.00 179.01 179.25 3b8i n HIS 202 N -5.09 1.09 -3.91 0.92 8.25 -1.26 -4.93 115.22 110.28 3b8i n HIS 202 Ca 0.13 -0.78 -0.36 0.00 -0.26 0.00 0.00 57.72 56.45 3b8i n HIS 202 Cb 0.41 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.49 4.34 0.00 2.41 1.43 -0.65 -4.96 118.68 118.75 3b8i s LEU 203 Ca 0.42 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3b8i s LEU 203 Cb 0.32 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3b8i s LEU 203 CO 0.12 0.36 0.92 0.00 0.23 0.00 0.00 176.35 177.98 3b8i n HIS 204 N 1.66 0.00 -4.05 0.29 1.44 -1.26 -5.01 115.22 108.29 3b8i n HIS 204 Ca -0.17 -0.42 -0.27 0.00 -2.01 0.00 0.00 57.72 54.84 3b8i n HIS 204 Cb 0.54 -0.04 -0.05 0.00 0.12 0.00 0.00 29.99 30.56 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 -0.85 4.61 0.33 0.61 -4.36 -1.26 -5.07 121.20 115.20 3b8i s ILE 205 Ca 0.00 -0.94 -0.27 0.00 -0.26 0.00 0.00 60.65 59.18 3b8i s ILE 205 Cb 0.00 -3.32 -0.13 0.00 1.25 0.00 0.00 42.46 40.26 3b8i s ILE 205 CO 0.00 -0.04 1.03 -2.65 0.24 0.00 0.00 174.94 173.51 3b8i n PRO 206 N -0.15 1.42 -3.98 0.37 -0.02 -1.26 -4.72 135.00 126.66 3b8i n PRO 206 Ca -0.08 0.50 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 3b8i n PRO 206 Cb 0.54 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.13 4.16 -0.05 2.45 1.43 0.09 -2.05 118.68 124.85 3b8i s LEU 207 Ca 0.59 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 3b8i s LEU 207 Cb -0.65 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 3b8i s LEU 207 CO 0.60 0.22 -0.20 -0.32 0.23 0.00 0.00 176.35 176.88 3b8i s MET 208 N -2.13 2.02 -0.09 1.70 -2.45 0.37 -0.34 119.30 118.38 3b8i s MET 208 Ca 0.29 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 54.05 3b8i s MET 208 Cb -0.12 -1.76 -0.01 0.00 1.25 0.00 0.00 34.83 34.19 3b8i s MET 208 CO 0.21 0.31 -0.23 -0.51 1.05 0.00 0.00 175.02 175.84 3b8i s LEU 209 N -0.08 2.16 -0.48 4.11 1.02 -0.12 -0.72 118.68 124.57 3b8i s LEU 209 Ca -0.03 -0.51 -0.13 0.00 0.02 0.00 0.00 54.13 53.49 3b8i s LEU 209 Cb -0.12 -1.42 0.10 0.00 0.02 0.00 0.00 46.19 44.77 3b8i s LEU 209 CO 0.02 0.20 0.39 -0.69 0.02 0.00 0.00 176.35 176.29 3b8i s VAL 210 N 0.13 4.79 -0.12 -1.59 1.01 -0.21 -1.04 120.40 123.36 3b8i s VAL 210 Ca -0.12 -1.42 0.20 0.00 0.00 0.00 0.00 61.98 60.64 3b8i s VAL 210 Cb -0.16 -4.00 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 3b8i s VAL 210 CO 0.07 -0.69 0.34 0.35 0.00 0.00 0.00 175.10 175.17 3b8i n THR 211 N 5.09 0.79 -3.81 3.92 -2.24 -0.81 -4.05 114.28 113.18 3b8i n THR 211 Ca -0.11 -0.69 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 3b8i n THR 211 Cb 0.42 -0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.57 -2.23 -1.16 4.78 4.01 -1.24 -1.84 117.16 116.91 3b8i n TYR 212 Ca -0.18 0.90 -0.06 0.00 -0.16 0.00 0.00 57.90 58.40 3b8i n TYR 212 Cb 0.87 -4.24 -0.02 0.00 -0.31 0.00 0.00 39.34 35.64 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 -1.67 0.69 3.52 2.72 0.00 -1.06 -4.94 105.19 104.45 3b8i n GLY 213 Ca -0.08 -0.16 -0.55 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.48 2.01 0.12 1.61 2.85 -0.77 -4.82 115.26 115.79 3b8i n ASN 214 Ca -0.06 0.73 0.13 0.00 -0.11 0.00 0.00 54.58 55.27 3b8i n ASN 214 Cb 0.38 -1.15 0.44 0.00 1.24 0.00 0.00 39.78 40.69 3b8i n ASN 214 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3b8i n PRO 215 N 6.93 0.24 0.00 1.20 -0.02 -1.26 -2.52 135.00 139.58 3b8i n PRO 215 Ca 0.37 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 3b8i n PRO 215 Cb 0.14 -1.85 0.77 0.00 -0.02 0.00 0.00 33.50 32.55 3b8i n PRO 215 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3b8i n GLN 216 N -2.28 0.76 -0.59 -0.52 6.02 -1.26 -3.45 117.38 116.06 3b8i n GLN 216 Ca 0.04 0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.10 3b8i n GLN 216 Cb 0.35 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.26 3b8i n GLN 216 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3b8i n LEU 217 N -1.04 2.13 -4.35 1.08 4.77 -1.05 -3.94 117.00 114.60 3b8i n LEU 217 Ca 0.19 -3.16 -0.46 0.00 -0.03 0.00 0.00 56.01 52.54 3b8i n LEU 217 Cb 0.11 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3b8i n LEU 217 CO 0.16 0.99 0.57 -0.13 -1.33 0.00 0.00 177.39 177.65 3b8i s ARG 218 N -2.39 3.68 -0.33 3.23 0.52 -1.22 -4.86 118.95 117.58 3b8i s ARG 218 Ca 0.33 -2.44 -0.02 0.00 -0.52 0.00 0.00 55.73 53.09 3b8i s ARG 218 Cb 0.32 -4.53 0.19 0.00 0.52 0.00 0.00 34.95 31.45 3b8i s ARG 218 CO -0.05 -1.37 0.83 0.34 0.02 0.00 0.00 175.30 175.06 3b8i s ASP 219 N 2.31 -0.99 0.11 0.23 -1.08 -1.26 -5.07 116.67 110.92 3b8i s ASP 219 Ca 0.22 -0.17 -0.22 0.00 -0.52 0.00 0.00 52.55 51.86 3b8i s ASP 219 Cb -0.09 1.44 -0.09 0.00 -1.46 0.00 0.00 42.92 42.72 3b8i s ASP 219 CO -0.09 -0.15 1.71 0.44 0.52 0.00 0.00 175.17 177.61 3b8i h ASP 220 N 6.96 -0.16 -0.27 -0.34 3.32 -1.97 0.12 116.42 124.07 3b8i h ASP 220 Ca -0.02 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.11 3b8i h ASP 220 Cb 1.19 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 3b8i h ASP 220 CO 0.02 -0.07 -0.00 0.00 -1.72 0.00 0.00 179.24 177.47 3b8i h ALA 221 N 0.98 0.24 -0.66 3.45 0.00 -1.97 0.57 119.26 121.88 3b8i h ALA 221 Ca 0.04 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3b8i h ALA 221 Cb 0.12 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3b8i h ALA 221 CO -0.09 -0.42 0.23 -0.09 0.00 0.00 0.00 179.25 178.88 3b8i h ARG 222 N 0.08 1.00 -0.16 0.00 2.43 -1.92 -1.87 114.38 113.94 3b8i h ARG 222 Ca 0.13 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3b8i h ARG 222 Cb 0.17 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3b8i h ARG 222 CO -0.22 0.86 0.04 -0.07 -1.51 0.00 0.00 179.97 179.07 3b8i h LEU 223 N 0.94 0.02 -1.03 3.80 3.38 -0.72 -2.94 115.31 118.76 3b8i h LEU 223 Ca 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3b8i h LEU 223 Cb 0.26 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3b8i h LEU 223 CO -0.01 0.04 0.28 0.00 0.09 0.00 0.00 178.44 178.84 3b8i h ALA 224 N 1.11 1.24 -0.17 1.53 0.00 -0.72 -0.61 119.26 121.63 3b8i h ALA 224 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3b8i h ALA 224 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3b8i h ALA 224 CO -0.09 0.57 0.11 0.00 0.00 0.00 0.00 179.25 179.84 3b8i h ARG 225 N 0.96 0.15 -0.01 0.00 3.08 -1.27 -1.22 114.38 116.07 3b8i h ARG 225 Ca 0.23 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3b8i h ARG 225 Cb 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3b8i h ARG 225 CO -0.02 0.10 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 3b8i n LEU 226 N -4.51 0.29 0.00 3.04 4.77 -0.28 -4.89 117.00 115.41 3b8i n LEU 226 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3b8i n LEU 226 Cb 0.14 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3b8i n LEU 226 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3b8i n GLY 227 N 1.01 0.53 3.70 -0.72 0.00 -0.46 -4.88 105.19 104.36 3b8i n GLY 227 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3b8i n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8i s VAL 228 N -2.00 3.62 -0.02 1.61 1.01 -0.92 -0.73 120.40 122.97 3b8i s VAL 228 Ca 0.00 1.06 0.10 0.00 0.00 0.00 0.00 61.98 63.14 3b8i s VAL 228 Cb 0.00 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3b8i s VAL 228 CO 0.00 0.02 0.19 0.54 0.00 0.00 0.00 175.10 175.85 3b8i n ARG 229 N 4.97 0.63 -3.73 2.72 5.12 0.54 -3.94 116.66 122.98 3b8i n ARG 229 Ca 0.13 -0.08 -0.17 0.00 -1.93 0.00 0.00 57.85 55.80 3b8i n ARG 229 Cb 0.43 -1.23 -0.17 0.00 -1.16 0.00 0.00 32.46 30.34 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 -2.61 -0.08 -0.12 1.55 1.01 -1.16 -1.08 120.40 117.91 3b8i s VAL 230 Ca -0.04 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3b8i s VAL 230 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.31 3b8i s VAL 230 CO 0.40 0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 3b8i s VAL 231 N 1.53 2.87 -0.37 2.92 1.01 -0.29 -0.95 120.40 127.13 3b8i s VAL 231 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 3b8i s VAL 231 Cb -0.13 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3b8i s VAL 231 CO -0.03 0.53 0.17 -0.69 0.00 0.00 0.00 175.10 175.08 3b8i s VAL 232 N 0.29 4.13 -0.88 2.92 1.01 -0.21 -1.65 120.40 126.01 3b8i s VAL 232 Ca -0.11 -1.09 0.26 0.00 0.00 0.00 0.00 61.98 61.04 3b8i s VAL 232 Cb -0.16 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 33.01 3b8i s VAL 232 CO 0.06 -0.26 1.64 0.59 0.00 0.00 0.00 175.10 177.13 3b8i n ASN 233 N 4.89 0.42 0.00 3.32 4.13 -1.26 -1.92 115.26 124.84 3b8i n ASN 233 Ca -0.12 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.38 3b8i n ASN 233 Cb 0.45 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 3b8i n ASN 233 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3b8i n GLY 234 N 1.43 0.93 2.43 7.41 0.00 -1.26 -2.57 105.19 113.57 3b8i n GLY 234 Ca 0.06 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 2.02 -0.32 1.61 8.25 -1.26 -4.68 115.22 129.83 3b8i n HIS 235 Ca 0.00 -2.21 0.12 0.00 -0.26 0.00 0.00 57.72 55.38 3b8i n HIS 235 Cb 0.00 -0.28 0.34 0.00 1.12 0.00 0.00 29.99 31.17 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 2.41 1.75 -0.59 -1.41 0.00 -2.00 -2.56 119.26 116.86 3b8i h ALA 236 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3b8i h ALA 236 Cb 1.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3b8i h ALA 236 CO 0.48 -0.05 0.36 0.00 0.00 0.00 0.00 179.25 180.04 3b8i h ALA 237 N 1.60 1.53 -0.22 0.00 0.00 -1.95 -0.44 119.26 119.79 3b8i h ALA 237 Ca 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 3b8i h ALA 237 Cb 0.80 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3b8i h ALA 237 CO -0.28 0.41 0.02 -0.92 0.00 0.00 0.00 179.25 178.48 3b8i h TYR 238 N 0.80 0.41 -0.55 0.00 3.20 -1.82 -2.75 116.97 116.27 3b8i h TYR 238 Ca 0.21 -0.07 0.08 0.00 3.14 0.00 0.00 58.73 62.10 3b8i h TYR 238 Cb -0.05 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3b8i h TYR 238 CO 0.00 0.54 0.37 0.74 -1.64 0.00 0.00 178.16 178.18 3b8i h PHE 239 N 0.17 0.42 -0.20 -3.82 0.04 -1.33 -1.90 116.94 110.31 3b8i h PHE 239 Ca 0.07 0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.66 3b8i h PHE 239 Cb 0.37 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3b8i h PHE 239 CO 0.03 0.21 -0.63 0.00 -0.60 0.00 0.00 178.31 177.32 3b8i h ALA 240 N 1.71 0.50 -0.18 2.45 0.00 -0.99 -1.29 119.26 121.46 3b8i h ALA 240 Ca 0.25 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3b8i h ALA 240 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3b8i h ALA 240 CO -0.07 0.69 0.04 0.00 0.00 0.00 0.00 179.25 179.92 3b8i h ALA 241 N 0.76 0.24 0.23 0.00 0.00 -1.14 0.11 119.26 119.46 3b8i h ALA 241 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3b8i h ALA 241 Cb 1.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3b8i h ALA 241 CO 0.13 -0.11 -0.38 0.82 0.00 0.00 0.00 179.25 179.70 3b8i h ILE 242 N 0.10 0.21 -0.90 0.00 1.08 -1.31 -1.98 117.51 114.72 3b8i h ILE 242 Ca 0.06 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.67 3b8i h ILE 242 Cb 0.28 0.21 -0.09 0.00 -3.07 0.00 0.00 36.82 34.15 3b8i h ILE 242 CO 0.00 0.00 0.50 0.50 -0.69 0.00 0.00 178.15 178.46 3b8i h LYS 243 N -0.69 0.71 -0.66 2.37 1.63 -1.09 -1.16 116.57 117.68 3b8i h LYS 243 Ca 0.00 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3b8i h LYS 243 Cb 0.67 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3b8i h LYS 243 CO -0.16 0.47 0.34 0.00 -3.45 0.00 0.00 179.45 176.65 3b8i h ALA 244 N 1.56 0.84 -0.21 5.00 0.00 -0.60 0.24 119.26 126.09 3b8i h ALA 244 Ca 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3b8i h ALA 244 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3b8i h ALA 244 CO -0.33 0.38 0.12 1.15 0.00 0.00 0.00 179.25 180.57 3b8i h THR 245 N 0.90 1.10 0.25 0.00 2.02 -0.95 -0.60 112.91 115.63 3b8i h THR 245 Ca 0.23 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3b8i h THR 245 Cb 0.08 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3b8i h THR 245 CO -0.03 0.09 -0.45 0.22 0.37 0.00 0.00 175.52 175.72 3b8i h TYR 246 N 0.24 -1.26 -0.78 3.16 3.20 -1.03 -1.59 116.97 118.90 3b8i h TYR 246 Ca 0.07 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3b8i h TYR 246 Cb 0.04 0.52 -0.08 0.00 1.54 0.00 0.00 36.73 38.75 3b8i h TYR 246 CO -0.04 -0.57 0.40 -0.44 -1.64 0.00 0.00 178.16 175.87 3b8i h ASP 247 N -0.77 0.51 -0.28 -2.11 3.32 -0.35 0.38 116.42 117.12 3b8i h ASP 247 Ca -0.01 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3b8i h ASP 247 Cb 0.74 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3b8i h ASP 247 CO -0.18 0.26 0.04 0.00 -1.72 0.00 0.00 179.24 177.64 3b8i h LEU 249 N 0.27 0.69 -0.84 0.00 3.38 -0.79 -0.67 115.31 117.35 3b8i h LEU 249 Ca 0.08 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3b8i h LEU 249 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3b8i h LEU 249 CO 0.01 1.19 0.02 -0.09 0.09 0.00 0.00 178.44 179.66 3b8i h ARG 250 N 0.41 0.89 -0.01 1.13 1.12 -0.95 0.25 114.38 117.23 3b8i h ARG 250 Ca -0.03 -0.25 -0.19 0.00 -1.11 0.00 0.00 59.98 58.40 3b8i h ARG 250 Cb 1.29 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 3b8i h ARG 250 CO 0.13 0.87 -0.85 1.05 -3.11 0.00 0.00 179.97 178.07 3b8i h GLU 251 N 0.83 0.23 -0.73 0.20 -0.00 -1.22 -1.11 114.58 112.78 3b8i h GLU 251 Ca 0.16 -0.24 0.03 0.00 -0.00 0.00 0.00 59.36 59.31 3b8i h GLU 251 Cb 0.46 0.06 -0.05 0.00 -0.00 0.00 0.00 28.75 29.23 3b8i h GLU 251 CO 0.02 0.95 0.46 0.93 -0.00 0.00 0.00 179.01 181.37 3b8i h GLU 252 N 0.14 0.87 0.00 1.06 5.08 -0.90 -2.72 114.58 118.11 3b8i h GLU 252 Ca -0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3b8i h GLU 252 Cb 1.46 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3b8i h GLU 252 CO 0.13 0.57 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.34 3b8i h ARG 253 N 0.89 0.00 0.00 2.33 9.65 -0.25 -3.47 114.38 123.53 3b8i h ARG 253 Ca 0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 3b8i h ARG 253 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 3b8i h ARG 253 CO -0.11 0.28 0.00 0.41 2.80 0.00 0.00 179.97 183.35 3b8i n GLY 254 N -0.00 0.49 3.85 2.80 0.00 -0.81 -5.07 105.19 106.44 3b8i n GLY 254 Ca -0.01 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 2.92 0.73 4.61 0.00 -0.49 -5.03 121.76 122.50 3b8i s ALA 255 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 3b8i s ALA 255 Cb 0.00 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 20.03 3b8i s ALA 255 CO 0.00 -0.89 1.22 0.54 0.00 0.00 0.00 175.76 176.63 3b8i s VAL 256 N -3.07 2.25 0.47 0.00 0.11 -1.26 -4.68 120.40 114.21 3b8i s VAL 256 Ca 0.57 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 59.51 3b8i s VAL 256 Cb -0.12 -2.73 -0.07 0.00 -1.53 0.00 0.00 36.38 31.93 3b8i s VAL 256 CO 0.53 -0.06 1.21 0.00 -3.33 0.00 0.00 175.10 173.45 3b8i s ALA 257 N -1.92 2.98 0.41 1.54 0.00 -1.26 -4.96 121.76 118.55 3b8i s ALA 257 Ca 0.75 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 53.51 3b8i s ALA 257 Cb -0.30 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 3b8i s ALA 257 CO 0.45 -0.79 1.08 0.45 0.00 0.00 0.00 175.76 176.94 3b8i s SER 258 N -1.21 6.64 0.14 0.00 0.15 -1.26 -4.97 113.70 113.19 3b8i s SER 258 Ca 0.64 2.10 0.20 0.00 0.70 0.00 0.00 55.95 59.59 3b8i s SER 258 Cb -0.32 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.34 3b8i s SER 258 CO 0.39 -0.58 0.96 -2.24 1.20 0.00 0.00 173.24 172.96 3b8i h ASP 259 N 2.42 0.00 -3.92 5.45 2.03 -2.06 -3.48 116.42 116.85 3b8i h ASP 259 Ca -0.48 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.32 3b8i h ASP 259 Cb 1.22 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.75 3b8i h ASP 259 CO 0.62 0.28 0.46 -0.76 -1.03 0.00 0.00 179.24 178.81 3b8i s LEU 260 N -5.60 4.24 0.97 0.15 1.43 -1.26 -5.03 118.68 113.59 3b8i s LEU 260 Ca -0.01 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 3b8i s LEU 260 Cb 0.09 -4.02 0.18 0.00 0.03 0.00 0.00 46.19 42.47 3b8i s LEU 260 CO 0.80 -0.49 1.12 0.42 0.23 0.00 0.00 176.35 178.43 3b8i s THR 261 N -1.47 2.03 0.24 5.49 -4.23 -1.26 -4.79 115.64 111.65 3b8i s THR 261 Ca 0.55 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.01 3b8i s THR 261 Cb -0.27 -2.02 0.23 0.00 1.34 0.00 0.00 72.50 71.78 3b8i s THR 261 CO 0.34 -0.01 1.68 0.00 -0.54 0.00 0.00 174.62 176.09 3b8i h ALA 262 N -2.07 0.88 -0.02 3.99 0.00 -1.96 -0.95 119.26 119.13 3b8i h ALA 262 Ca -0.47 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3b8i h ALA 262 Cb 1.28 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3b8i h ALA 262 CO 0.43 -0.35 -0.72 0.66 0.00 0.00 0.00 179.25 179.27 3b8i h SER 263 N 0.24 0.19 -0.58 0.00 4.64 -1.92 -1.40 113.55 114.71 3b8i h SER 263 Ca 0.40 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.50 3b8i h SER 263 Cb 0.67 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3b8i h SER 263 CO -0.52 0.85 0.01 -0.33 -0.87 0.00 0.00 176.83 175.97 3b8i h GLU 264 N 0.10 1.03 -0.15 4.77 5.08 -1.82 -1.44 114.58 122.16 3b8i h GLU 264 Ca -0.02 -0.32 -0.16 0.00 -1.00 0.00 0.00 59.36 57.85 3b8i h GLU 264 Cb 1.28 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3b8i h GLU 264 CO 0.11 1.01 -0.55 1.25 -1.00 0.00 0.00 179.01 179.83 3b8i h LEU 265 N 0.92 0.74 -0.69 1.33 5.85 -1.10 -1.08 115.31 121.28 3b8i h LEU 265 Ca 0.17 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.32 3b8i h LEU 265 Cb 0.54 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3b8i h LEU 265 CO 0.03 1.23 0.41 0.28 -0.34 0.00 0.00 178.44 180.05 3b8i h SER 266 N 0.30 0.66 -0.74 1.25 0.02 -1.16 -2.72 113.55 111.16 3b8i h SER 266 Ca -0.03 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3b8i h SER 266 Cb 1.18 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 3b8i h SER 266 CO 0.12 0.44 0.22 0.50 -1.14 0.00 0.00 176.83 176.97 3b8i h LYS 267 N 0.79 1.16 -0.77 3.45 3.64 -1.11 -2.81 116.57 120.92 3b8i h LYS 267 Ca 0.29 -0.25 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 3b8i h LYS 267 Cb 0.09 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 31.66 3b8i h LYS 267 CO -0.14 0.99 0.35 -0.22 -2.27 0.00 0.00 179.45 178.16 3b8i h LYS 268 N 1.11 0.52 -0.03 1.90 3.64 -0.88 -0.44 116.57 122.39 3b8i h LYS 268 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3b8i h LYS 268 Cb 0.32 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3b8i h LYS 268 CO -0.01 0.34 0.00 0.66 -2.27 0.00 0.00 179.45 178.17 3b8i n TYR 269 N -4.93 0.04 1.40 1.91 4.01 -1.06 -2.27 117.16 116.26 3b8i n TYR 269 Ca 0.14 -0.02 0.14 0.00 -0.16 0.00 0.00 57.90 58.00 3b8i n TYR 269 Cb 0.39 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 39.99 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 -0.58 0.00 -3.72 -0.72 -2.24 -0.17 -4.77 114.28 102.07 3b8i n THR 270 Ca 0.12 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 3b8i n THR 270 Cb 0.09 0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.83 -1.88 -0.36 4.78 0.99 -0.96 -4.54 117.46 114.66 3b8i n PHE 271 Ca 0.15 0.62 0.04 0.00 -0.00 0.00 0.00 57.45 58.26 3b8i n PHE 271 Cb 0.29 -3.75 0.19 0.00 -1.00 0.00 0.00 39.48 35.21 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 -1.83 1.03 -0.80 -1.08 0.13 -1.79 -2.28 132.00 125.38 3b8i h PRO 272 Ca -0.64 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.42 3b8i h PRO 272 Cb 1.36 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 3b8i h PRO 272 CO 0.53 0.68 0.48 0.93 -0.23 0.00 0.00 178.00 180.39 3b8i h GLU 273 N 1.06 1.09 -0.25 0.86 3.07 -1.95 0.19 114.58 118.66 3b8i h GLU 273 Ca 0.45 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 3b8i h GLU 273 Cb 0.29 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3b8i h GLU 273 CO -0.21 0.77 0.12 1.49 -1.40 0.00 0.00 179.01 179.78 3b8i h GLU 274 N 1.10 0.35 -0.72 2.33 4.81 -1.79 0.17 114.58 120.82 3b8i h GLU 274 Ca 0.29 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3b8i h GLU 274 Cb -0.04 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3b8i h GLU 274 CO -0.05 0.34 0.20 1.88 -0.73 0.00 0.00 179.01 180.65 3b8i h TYR 275 N 0.28 1.19 -0.29 0.92 0.05 -1.29 -1.89 116.97 115.93 3b8i h TYR 275 Ca 0.09 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3b8i h TYR 275 Cb 0.10 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3b8i h TYR 275 CO -0.03 0.95 0.12 0.37 -1.05 0.00 0.00 178.16 178.53 3b8i h GLN 276 N 1.08 0.44 -0.83 4.88 5.75 -0.79 -1.50 115.11 124.14 3b8i h GLN 276 Ca 0.23 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.70 3b8i h GLN 276 Cb 0.34 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 3b8i h GLN 276 CO -0.00 0.45 0.52 0.00 -2.65 0.00 0.00 178.83 177.15 3b8i h ALA 277 N 0.96 1.13 -0.63 3.38 0.00 -0.51 -1.45 119.26 122.14 3b8i h ALA 277 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3b8i h ALA 277 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3b8i h ALA 277 CO -0.01 0.28 0.14 -1.49 0.00 0.00 0.00 179.25 178.18 3b8i h TRP 278 N 0.97 1.07 -0.74 0.00 6.55 -1.20 -0.72 115.95 121.88 3b8i h TRP 278 Ca 0.36 -0.13 -0.01 0.00 0.95 0.00 0.00 58.89 60.05 3b8i h TRP 278 Cb 0.12 -0.30 -0.04 0.00 -0.86 0.00 0.00 29.16 28.09 3b8i h TRP 278 CO -0.03 0.90 0.42 0.00 -1.05 0.00 0.00 178.44 178.67 3b8i h ALA 279 N 1.04 0.95 0.72 1.49 0.00 -0.94 -0.29 119.26 122.23 3b8i h ALA 279 Ca 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3b8i h ALA 279 Cb 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3b8i h ALA 279 CO 0.00 0.44 -0.39 -0.09 0.00 0.00 0.00 179.25 179.21 3b8i h ARG 280 N 1.02 -0.99 -0.65 0.00 2.43 -1.10 0.00 114.38 115.09 3b8i h ARG 280 Ca 0.26 0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 3b8i h ARG 280 Cb 0.01 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3b8i h ARG 280 CO -0.04 -0.66 0.27 0.22 -1.51 0.00 0.00 179.97 178.24 3b8i h ASP 281 N -1.03 0.86 0.00 -3.80 1.82 -1.08 -3.26 116.42 109.93 3b8i h ASP 281 Ca -0.09 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 3b8i h ASP 281 Cb 0.81 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.60 3b8i h ASP 281 CO 0.13 0.76 -1.06 -1.22 -1.61 0.00 0.00 179.24 176.24 3b8i n TYR 282 N -4.31 0.00 -1.33 0.28 4.01 -0.13 -4.72 117.16 110.96 3b8i n TYR 282 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.87 3b8i n TYR 282 Cb 0.17 -0.14 0.13 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.60 1.11 -4.61 -0.72 2.81 -0.01 -5.00 117.12 109.10 3b8i n MET 283 Ca -0.00 -2.46 -0.23 0.00 -1.81 0.00 0.00 57.70 53.20 3b8i n MET 283 Cb 0.22 -1.33 -0.15 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.44 1.17 0.27 0.03 2.02 -1.22 0.89 118.70 119.41 3b8i s GLU 284 Ca 0.29 -0.64 -0.28 0.00 0.02 0.00 0.00 54.97 54.35 3b8i s GLU 284 Cb 0.26 -1.16 -0.14 0.00 0.10 0.00 0.00 34.13 33.19 3b8i s GLU 284 CO 0.00 0.31 0.97 0.28 0.02 0.00 0.00 175.26 176.84 3b8i n VAL 285 N 2.41 1.92 1.75 2.63 0.31 -1.26 -4.92 118.33 121.17 3b8i n VAL 285 Ca -0.16 -0.48 0.15 0.00 -0.01 0.00 0.00 64.34 63.84 3b8i n VAL 285 Cb 0.55 -0.88 0.74 0.00 -0.91 0.00 0.00 33.84 33.33 3b8i n VAL 285 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80