#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bd0 s HIS 3 N 0.00 3.21 -0.36 2.13 3.76 0.66 -4.95 115.29 119.75 2bd0 s HIS 3 Ca 0.00 0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 55.06 2bd0 s HIS 3 Cb 0.00 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.87 2bd0 s HIS 3 CO 0.00 -0.42 0.63 0.42 -0.85 0.00 0.00 174.74 174.52 2bd0 s ILE 4 N 2.34 4.89 -0.08 0.60 -1.09 -1.26 -0.57 121.20 126.02 2bd0 s ILE 4 Ca 0.19 0.54 0.03 0.00 -2.23 0.00 0.00 60.65 59.18 2bd0 s ILE 4 Cb -0.15 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 2bd0 s ILE 4 CO 0.12 -0.33 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.56 2bd0 s LEU 5 N 2.70 2.51 -0.19 2.97 1.43 -0.61 -1.02 118.68 126.47 2bd0 s LEU 5 Ca 0.24 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2bd0 s LEU 5 Cb -0.14 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2bd0 s LEU 5 CO 0.15 0.25 -0.13 -0.22 0.23 0.00 0.00 176.35 176.63 2bd0 s LEU 6 N -0.19 2.48 -0.27 1.79 2.96 0.09 -0.07 118.68 125.47 2bd0 s LEU 6 Ca -0.01 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2bd0 s LEU 6 Cb -0.13 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 45.01 2bd0 s LEU 6 CO 0.03 0.01 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.39 2bd0 s ILE 7 N 1.27 2.70 0.34 6.68 -1.09 -0.28 -0.70 121.20 130.11 2bd0 s ILE 7 Ca 0.03 -1.33 -0.14 0.00 -2.23 0.00 0.00 60.65 56.98 2bd0 s ILE 7 Cb -0.14 -2.49 -0.08 0.00 -1.58 0.00 0.00 42.46 38.17 2bd0 s ILE 7 CO -0.07 0.03 0.74 0.42 -1.23 0.00 0.00 174.94 174.83 2bd0 s THR 8 N 1.23 4.71 -1.15 2.92 -4.23 -0.99 -2.00 115.64 116.14 2bd0 s THR 8 Ca -0.04 0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 61.32 2bd0 s THR 8 Cb -0.19 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2bd0 s THR 8 CO -0.04 -0.25 0.22 0.61 -0.54 0.00 0.00 174.62 174.62 2bd0 n GLY 9 N -0.56 -0.19 0.02 3.99 0.00 0.65 -3.03 105.19 106.07 2bd0 n GLY 9 Ca 0.03 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2bd0 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 n ALA 10 N -2.38 1.99 0.19 4.61 0.00 -0.82 -3.76 120.51 120.35 2bd0 n ALA 10 Ca -0.12 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.33 2bd0 n ALA 10 Cb 0.61 -1.36 0.19 0.00 0.00 0.00 0.00 19.45 18.88 2bd0 n ALA 10 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2bd0 h GLY 11 N 3.70 0.00 -2.52 0.00 0.00 -1.87 -3.09 103.07 99.29 2bd0 h GLY 11 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2bd0 h GLY 11 CO 0.00 0.00 -0.57 0.54 0.00 0.00 0.00 176.54 176.51 2bd0 s LYS 12 N -3.21 1.27 0.00 4.80 1.02 -1.25 -4.84 119.74 117.53 2bd0 s LYS 12 Ca 0.04 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.40 2bd0 s LYS 12 Cb 0.07 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 2bd0 s LYS 12 CO 0.69 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 2bd0 n GLY 13 N -0.30 2.21 0.24 -3.33 0.00 -1.26 -1.84 105.19 100.91 2bd0 n GLY 13 Ca 0.02 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 2bd0 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bd0 h ILE 14 N 0.00 1.16 -0.58 -0.61 5.03 -1.89 -1.51 117.51 119.10 2bd0 h ILE 14 Ca 0.00 -0.29 0.02 0.00 -0.12 0.00 0.00 64.86 64.46 2bd0 h ILE 14 Cb 0.00 0.29 -0.03 0.00 -3.03 0.00 0.00 36.82 34.05 2bd0 h ILE 14 CO 0.00 0.15 0.37 1.23 -0.68 0.00 0.00 178.15 179.22 2bd0 h GLY 15 N 0.80 0.82 0.99 5.37 0.00 -1.61 0.48 103.07 109.92 2bd0 h GLY 15 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2bd0 h GLY 15 CO -0.05 0.26 0.32 -0.09 0.00 0.00 0.00 176.54 176.98 2bd0 h ARG 16 N 0.74 0.74 -0.67 4.80 2.43 -1.11 -1.07 114.38 120.23 2bd0 h ARG 16 Ca 0.22 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2bd0 h ARG 16 Cb -0.03 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2bd0 h ARG 16 CO -0.07 0.54 0.17 0.00 -1.51 0.00 0.00 179.97 179.10 2bd0 h ALA 17 N 1.16 1.05 -0.62 2.80 0.00 -0.65 -1.62 119.26 121.38 2bd0 h ALA 17 Ca 0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2bd0 h ALA 17 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2bd0 h ALA 17 CO -0.04 0.63 0.13 0.82 0.00 0.00 0.00 179.25 180.79 2bd0 h ILE 18 N 1.00 1.26 -0.23 0.00 2.04 -0.58 -0.25 117.51 120.74 2bd0 h ILE 18 Ca 0.21 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2bd0 h ILE 18 Cb 0.33 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2bd0 h ILE 18 CO -0.00 0.36 0.13 0.00 0.00 0.00 0.00 178.15 178.64 2bd0 h ALA 19 N 1.03 0.29 -0.64 1.87 0.00 -0.85 -1.49 119.26 119.48 2bd0 h ALA 19 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2bd0 h ALA 19 Cb 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2bd0 h ALA 19 CO 0.01 -0.19 0.15 1.25 0.00 0.00 0.00 179.25 180.46 2bd0 h LEU 20 N 0.27 0.95 -0.87 0.00 5.85 -1.09 -2.15 115.31 118.27 2bd0 h LEU 20 Ca 0.08 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2bd0 h LEU 20 Cb 0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2bd0 h LEU 20 CO -0.01 0.92 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.78 2bd0 h GLU 21 N 0.96 0.68 -0.35 1.25 4.57 -0.82 -0.74 114.58 120.12 2bd0 h GLU 21 Ca 0.20 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 2bd0 h GLU 21 Cb 0.35 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2bd0 h GLU 21 CO 0.00 0.80 -0.27 0.74 -1.18 0.00 0.00 179.01 179.10 2bd0 h PHE 22 N 0.61 0.82 -0.38 0.92 0.04 -1.01 -1.22 116.94 116.71 2bd0 h PHE 22 Ca 0.10 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 2bd0 h PHE 22 Cb 0.60 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 2bd0 h PHE 22 CO 0.03 0.90 0.07 0.00 -0.60 0.00 0.00 178.31 178.71 2bd0 h ALA 23 N 1.09 0.51 -0.37 2.45 0.00 -1.00 -2.02 119.26 119.91 2bd0 h ALA 23 Ca 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2bd0 h ALA 23 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2bd0 h ALA 23 CO 0.06 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.49 2bd0 h ARG 24 N 0.48 0.60 -0.21 0.00 3.08 -1.00 -2.44 114.38 114.88 2bd0 h ARG 24 Ca 0.12 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2bd0 h ARG 24 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2bd0 h ARG 24 CO 0.01 0.64 -0.24 0.00 -1.07 0.00 0.00 179.97 179.31 2bd0 h ALA 25 N 1.41 1.21 0.00 0.04 0.00 -0.95 -1.79 119.26 119.17 2bd0 h ALA 25 Ca 0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2bd0 h ALA 25 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bd0 h ALA 25 CO 0.02 0.51 -0.28 0.00 0.00 0.00 0.00 179.25 179.50 2bd0 h ALA 26 N 1.41 1.23 0.14 0.00 0.00 -0.89 0.47 119.26 121.62 2bd0 h ALA 26 Ca 0.06 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 2bd0 h ALA 26 Cb 0.61 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.38 2bd0 h ALA 26 CO 0.04 0.35 -1.02 -0.09 0.00 0.00 0.00 179.25 178.53 2bd0 h ARG 27 N 0.00 0.44 0.00 0.00 2.43 -1.17 -3.34 114.38 112.74 2bd0 h ARG 27 Ca -0.00 -0.66 -0.21 0.00 -0.81 0.00 0.00 59.98 58.30 2bd0 h ARG 27 Cb 0.62 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 2bd0 h ARG 27 CO 0.04 1.30 -1.00 0.45 -1.51 0.00 0.00 179.97 179.24 2bd0 h HIS 28 N -0.09 0.00 -3.23 2.20 3.86 -1.16 -3.39 115.15 113.35 2bd0 h HIS 28 Ca -0.17 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.40 2bd0 h HIS 28 Cb 1.77 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.84 2bd0 h HIS 28 CO 0.16 0.97 -0.48 -1.58 0.86 0.00 0.00 177.93 177.87 2bd0 s HIS 29 N -2.72 3.54 0.53 2.45 5.65 0.16 -4.96 115.29 119.95 2bd0 s HIS 29 Ca 0.01 -3.20 0.32 0.00 0.25 0.00 0.00 55.06 52.44 2bd0 s HIS 29 Cb 0.10 -2.87 1.48 0.00 -1.18 0.00 0.00 32.58 30.10 2bd0 s HIS 29 CO 0.82 -0.64 1.85 -1.35 -0.65 0.00 0.00 174.74 174.76 2bd0 h PRO 30 N 5.87 0.03 0.00 2.88 0.11 -1.77 0.07 132.00 139.19 2bd0 h PRO 30 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2bd0 h PRO 30 Cb 0.81 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2bd0 h PRO 30 CO 0.74 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.30 2bd0 n ASP 31 N -4.26 0.04 -4.31 -2.05 9.92 -1.26 -4.40 116.55 110.23 2bd0 n ASP 31 Ca 0.21 0.51 -0.38 0.00 -0.53 0.00 0.00 54.79 54.60 2bd0 n ASP 31 Cb 1.05 -0.52 -0.12 0.00 -0.64 0.00 0.00 41.12 40.89 2bd0 n ASP 31 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2bd0 s PHE 32 N -3.03 3.24 -0.45 1.24 5.36 0.01 -5.05 117.98 119.30 2bd0 s PHE 32 Ca 0.04 -1.25 0.01 0.00 -0.96 0.00 0.00 56.93 54.76 2bd0 s PHE 32 Cb 0.06 -2.31 0.12 0.00 -0.34 0.00 0.00 43.02 40.55 2bd0 s PHE 32 CO 0.16 -0.69 0.21 -1.21 -1.46 0.00 0.00 175.22 172.24 2bd0 s GLU 33 N 1.45 1.94 0.23 10.12 2.02 -1.26 -4.60 118.70 128.59 2bd0 s GLU 33 Ca -0.00 -2.14 0.04 0.00 0.02 0.00 0.00 54.97 52.89 2bd0 s GLU 33 Cb -0.19 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.57 2bd0 s GLU 33 CO 0.04 -1.06 0.36 -1.25 0.02 0.00 0.00 175.26 173.37 2bd0 s PRO 34 N 0.55 3.45 -0.25 0.39 0.04 -1.26 -0.24 135.00 137.67 2bd0 s PRO 34 Ca 0.13 -0.68 0.01 0.00 0.04 0.00 0.00 61.00 60.49 2bd0 s PRO 34 Cb -0.22 -2.89 0.04 0.00 0.04 0.00 0.00 34.50 31.48 2bd0 s PRO 34 CO -0.04 0.43 -0.09 0.08 0.04 0.00 0.00 177.00 177.41 2bd0 s VAL 35 N -1.95 2.48 -0.56 -0.36 1.01 0.26 -3.82 120.40 117.45 2bd0 s VAL 35 Ca 0.35 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 2bd0 s VAL 35 Cb -0.10 -2.33 0.07 0.00 0.00 0.00 0.00 36.38 34.02 2bd0 s VAL 35 CO 0.29 0.11 0.77 -0.76 0.00 0.00 0.00 175.10 175.51 2bd0 s LEU 36 N 1.22 4.79 -0.41 3.92 1.43 -0.11 -1.58 118.68 127.93 2bd0 s LEU 36 Ca -0.04 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 51.89 2bd0 s LEU 36 Cb -0.18 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.58 2bd0 s LEU 36 CO -0.05 -1.11 0.78 -0.69 0.23 0.00 0.00 176.35 175.50 2bd0 s VAL 37 N 3.17 4.69 -0.16 -1.59 1.01 0.90 -1.16 120.40 127.27 2bd0 s VAL 37 Ca 0.18 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 2bd0 s VAL 37 Cb -0.19 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2bd0 s VAL 37 CO 0.12 -0.58 0.03 -0.76 0.00 0.00 0.00 175.10 173.91 2bd0 s LEU 38 N 3.19 3.65 0.01 3.92 1.43 0.21 -1.13 118.68 129.97 2bd0 s LEU 38 Ca 0.30 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2bd0 s LEU 38 Cb -0.13 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 2bd0 s LEU 38 CO 0.20 0.21 -0.03 -0.55 0.23 0.00 0.00 176.35 176.41 2bd0 s SER 39 N 0.14 0.34 0.09 2.29 0.15 -0.85 -1.28 113.70 114.59 2bd0 s SER 39 Ca 0.03 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 2bd0 s SER 39 Cb -0.13 0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.27 2bd0 s SER 39 CO 0.01 -0.14 0.75 -1.54 1.20 0.00 0.00 173.24 173.52 2bd0 n SER 40 N 2.22 -1.10 -0.43 5.45 3.41 -1.23 -0.25 113.62 121.68 2bd0 n SER 40 Ca -0.19 -1.52 0.13 0.00 -0.26 0.00 0.00 58.87 57.04 2bd0 n SER 40 Cb 0.57 1.78 0.36 0.00 -0.26 0.00 0.00 64.21 66.66 2bd0 n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bd0 n ARG 41 N -0.53 1.33 -4.03 4.33 1.74 -1.23 -0.89 116.66 117.37 2bd0 n ARG 41 Ca -0.00 -0.86 -0.32 0.00 -0.77 0.00 0.00 57.85 55.90 2bd0 n ARG 41 Cb 0.40 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 2bd0 n ARG 41 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2bd0 s THR 42 N -2.26 2.04 0.17 0.55 2.01 -1.26 -4.88 115.64 112.01 2bd0 s THR 42 Ca 0.29 -1.64 -0.17 0.00 0.31 0.00 0.00 61.69 60.49 2bd0 s THR 42 Cb 0.20 -2.22 0.11 0.00 0.01 0.00 0.00 72.50 70.59 2bd0 s THR 42 CO 0.44 -0.12 1.66 0.00 -0.69 0.00 0.00 174.62 175.91 2bd0 h ALA 43 N 7.79 0.27 -0.18 7.40 0.00 -1.99 -1.75 119.26 130.80 2bd0 h ALA 43 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bd0 h ALA 43 Cb 1.04 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2bd0 h ALA 43 CO 0.46 -0.45 0.12 0.00 0.00 0.00 0.00 179.25 179.38 2bd0 h ALA 44 N 1.41 1.88 -0.22 0.00 0.00 -1.99 -1.13 119.26 119.20 2bd0 h ALA 44 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2bd0 h ALA 44 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2bd0 h ALA 44 CO -0.43 0.11 0.02 -0.44 0.00 0.00 0.00 179.25 178.51 2bd0 h ASP 45 N 0.24 0.36 -0.65 0.00 5.19 -1.68 -2.67 116.42 117.22 2bd0 h ASP 45 Ca 0.07 -0.28 -0.04 0.00 -0.62 0.00 0.00 57.03 56.16 2bd0 h ASP 45 Cb -0.02 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 2bd0 h ASP 45 CO -0.01 0.55 0.28 -0.07 -3.12 0.00 0.00 179.24 176.86 2bd0 h LEU 46 N 0.16 0.90 -0.61 1.55 3.38 -0.98 -1.98 115.31 117.73 2bd0 h LEU 46 Ca 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2bd0 h LEU 46 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2bd0 h LEU 46 CO 0.01 0.80 0.29 -0.33 0.09 0.00 0.00 178.44 179.30 2bd0 h GLU 47 N 0.97 0.88 -0.13 1.13 5.08 -1.14 -0.05 114.58 121.33 2bd0 h GLU 47 Ca 0.23 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2bd0 h GLU 47 Cb 0.18 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2bd0 h GLU 47 CO -0.02 0.71 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.43 2bd0 h LYS 48 N 0.84 0.26 -0.20 2.33 3.64 -1.18 -1.56 116.57 120.70 2bd0 h LYS 48 Ca 0.21 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2bd0 h LYS 48 Cb 0.12 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2bd0 h LYS 48 CO -0.03 0.59 -0.30 0.97 -2.27 0.00 0.00 179.45 178.42 2bd0 h ILE 49 N -0.08 1.27 -0.15 2.00 -0.00 -1.35 -1.82 117.51 117.38 2bd0 h ILE 49 Ca 0.03 -1.33 -0.00 0.00 -0.00 0.00 0.00 64.86 63.56 2bd0 h ILE 49 Cb 0.51 1.45 -0.01 0.00 -0.00 0.00 0.00 36.82 38.77 2bd0 h ILE 49 CO 0.02 0.41 0.07 -1.28 -0.00 0.00 0.00 178.15 177.37 2bd0 h SER 50 N 0.35 0.19 -0.62 2.19 0.87 -0.94 -0.68 113.55 114.91 2bd0 h SER 50 Ca 0.05 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2bd0 h SER 50 Cb 0.71 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 2bd0 h SER 50 CO 0.05 0.24 0.36 0.25 -0.53 0.00 0.00 176.83 177.21 2bd0 h LEU 51 N 0.12 0.56 -0.76 2.23 5.85 -1.03 -0.31 115.31 121.98 2bd0 h LEU 51 Ca 0.05 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2bd0 h LEU 51 Cb 0.10 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2bd0 h LEU 51 CO -0.01 0.38 0.35 -0.33 -0.34 0.00 0.00 178.44 178.49 2bd0 h GLU 52 N 0.70 1.11 -0.21 1.25 5.08 -1.02 -0.40 114.58 121.08 2bd0 h GLU 52 Ca 0.26 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2bd0 h GLU 52 Cb 0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2bd0 h GLU 52 CO -0.14 0.87 -0.35 0.00 -1.00 0.00 0.00 179.01 178.40 2bd0 h ARG 54 N 0.39 0.36 0.00 0.00 3.08 -0.60 -1.94 114.38 115.67 2bd0 h ARG 54 Ca 0.04 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2bd0 h ARG 54 Cb 0.80 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2bd0 h ARG 54 CO 0.07 0.69 -0.03 0.00 -1.07 0.00 0.00 179.97 179.63 2bd0 h ALA 55 N 1.29 1.38 -0.01 0.04 0.00 -0.70 0.44 119.26 121.71 2bd0 h ALA 55 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2bd0 h ALA 55 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2bd0 h ALA 55 CO 0.06 0.03 -0.14 0.39 0.00 0.00 0.00 179.25 179.60 2bd0 n GLU 56 N -3.67 0.95 -0.52 0.00 -0.58 -0.76 -4.93 120.64 111.13 2bd0 n GLU 56 Ca -0.03 -0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 2bd0 n GLU 56 Cb 0.12 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 2bd0 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bd0 n GLY 57 N 1.27 0.70 3.95 0.62 0.00 0.16 -4.54 105.19 107.34 2bd0 n GLY 57 Ca 0.15 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 2bd0 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 s ALA 58 N -2.00 3.85 0.08 4.61 0.00 -1.01 -4.97 121.76 122.32 2bd0 s ALA 58 Ca 0.00 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 2bd0 s ALA 58 Cb 0.00 -1.88 -0.07 0.00 0.00 0.00 0.00 23.12 21.17 2bd0 s ALA 58 CO 0.00 0.22 0.56 -0.51 0.00 0.00 0.00 175.76 176.03 2bd0 s LEU 59 N -3.93 4.50 0.07 0.00 1.43 -1.25 -4.16 118.68 115.35 2bd0 s LEU 59 Ca 0.36 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 2bd0 s LEU 59 Cb -0.10 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2bd0 s LEU 59 CO 0.31 0.26 -0.06 0.42 0.23 0.00 0.00 176.35 177.50 2bd0 s THR 60 N -1.15 0.57 -0.20 5.49 -4.23 -1.26 -0.94 115.64 113.92 2bd0 s THR 60 Ca 0.30 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2bd0 s THR 60 Cb -0.19 -1.33 0.10 0.00 1.34 0.00 0.00 72.50 72.42 2bd0 s THR 60 CO 0.19 -0.75 0.29 -0.62 -0.54 0.00 0.00 174.62 173.19 2bd0 s ASP 61 N -2.59 0.69 -0.07 3.99 2.15 -0.31 -4.89 116.67 115.64 2bd0 s ASP 61 Ca 0.05 0.18 -0.09 0.00 0.43 0.00 0.00 52.55 53.11 2bd0 s ASP 61 Cb 0.01 0.74 -0.05 0.00 -0.30 0.00 0.00 42.92 43.32 2bd0 s ASP 61 CO -0.04 -0.29 0.23 0.42 -0.17 0.00 0.00 175.17 175.32 2bd0 s THR 62 N 2.43 5.35 -0.15 1.71 -4.23 -1.26 -0.62 115.64 118.88 2bd0 s THR 62 Ca 0.07 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.92 2bd0 s THR 62 Cb -0.15 -3.51 0.07 0.00 1.34 0.00 0.00 72.50 70.26 2bd0 s THR 62 CO -0.12 0.59 0.24 -0.51 -0.54 0.00 0.00 174.62 174.27 2bd0 s ILE 63 N -1.07 -0.37 -0.11 2.99 2.07 -0.41 -4.95 121.20 119.35 2bd0 s ILE 63 Ca 0.19 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.28 2bd0 s ILE 63 Cb -0.13 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2bd0 s ILE 63 CO 0.08 0.01 1.10 -0.89 -1.91 0.00 0.00 174.94 173.33 2bd0 s THR 64 N 2.37 4.54 0.04 4.00 2.01 -1.26 -3.57 115.64 123.77 2bd0 s THR 64 Ca 0.04 1.84 -0.23 0.00 0.31 0.00 0.00 61.69 63.65 2bd0 s THR 64 Cb -0.13 -4.18 0.05 0.00 0.01 0.00 0.00 72.50 68.25 2bd0 s THR 64 CO -0.09 -0.04 0.53 0.00 -0.69 0.00 0.00 174.62 174.32 2bd0 s ALA 65 N 2.39 -1.35 -0.31 7.40 0.00 -0.07 -4.95 121.76 124.88 2bd0 s ALA 65 Ca 0.51 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 2bd0 s ALA 65 Cb -0.20 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.31 2bd0 s ALA 65 CO 0.17 -0.48 0.01 0.34 0.00 0.00 0.00 175.76 175.80 2bd0 s ASP 66 N -1.87 4.89 0.00 0.00 -1.08 -1.26 -3.58 116.67 113.77 2bd0 s ASP 66 Ca -0.06 -1.38 0.11 0.00 -0.52 0.00 0.00 52.55 50.69 2bd0 s ASP 66 Cb -0.01 -1.71 0.51 0.00 -1.46 0.00 0.00 42.92 40.25 2bd0 s ASP 66 CO -0.00 -0.29 1.31 2.30 0.52 0.00 0.00 175.17 179.01 2bd0 n ILE 67 N 4.59 1.02 1.14 4.11 -5.35 -1.26 -1.24 119.36 122.37 2bd0 n ILE 67 Ca -0.12 0.25 0.13 0.00 -0.27 0.00 0.00 62.75 62.75 2bd0 n ILE 67 Cb 0.43 -1.07 0.49 0.00 -1.74 0.00 0.00 39.64 37.75 2bd0 n ILE 67 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2bd0 n SER 68 N -1.41 0.35 -4.47 7.28 3.41 -1.26 -3.81 113.62 113.71 2bd0 n SER 68 Ca 0.04 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 2bd0 n SER 68 Cb 0.11 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 2bd0 n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bd0 s ASP 69 N -2.81 6.06 0.54 4.04 3.68 -0.37 -4.85 116.67 122.96 2bd0 s ASP 69 Ca 0.18 -0.76 0.25 0.00 2.13 0.00 0.00 52.55 54.35 2bd0 s ASP 69 Cb 0.19 -2.14 1.41 0.00 -1.45 0.00 0.00 42.92 40.92 2bd0 s ASP 69 CO 0.57 -0.38 2.01 0.24 0.13 0.00 0.00 175.17 177.73 2bd0 h MET 70 N 8.57 0.00 -0.49 4.34 2.86 -1.84 -0.08 114.93 128.30 2bd0 h MET 70 Ca -0.28 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.24 2bd0 h MET 70 Cb 1.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2bd0 h MET 70 CO 0.70 0.00 -0.17 0.00 1.06 0.00 0.00 176.91 178.49 2bd0 h ALA 71 N 1.74 0.77 -0.09 6.32 0.00 -1.93 -2.25 119.26 123.81 2bd0 h ALA 71 Ca 0.23 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2bd0 h ALA 71 Cb 0.94 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2bd0 h ALA 71 CO -0.00 0.66 -0.56 -0.44 0.00 0.00 0.00 179.25 178.91 2bd0 h ASP 72 N 0.84 0.31 -0.74 0.00 3.32 -1.29 -0.21 116.42 118.66 2bd0 h ASP 72 Ca 0.12 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2bd0 h ASP 72 Cb 0.73 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2bd0 h ASP 72 CO 0.06 0.81 0.40 0.58 -1.72 0.00 0.00 179.24 179.36 2bd0 h VAL 73 N 0.22 1.23 -0.37 -1.35 2.07 -1.13 0.30 116.25 117.22 2bd0 h VAL 73 Ca 0.00 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 66.82 2bd0 h VAL 73 Cb 1.05 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2bd0 h VAL 73 CO 0.09 0.26 -0.26 -0.09 0.02 0.00 0.00 177.57 177.59 2bd0 h ARG 74 N 1.02 0.76 -0.42 1.57 2.43 -1.10 -2.02 114.38 116.63 2bd0 h ARG 74 Ca 0.26 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2bd0 h ARG 74 Cb 0.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2bd0 h ARG 74 CO -0.04 0.93 0.06 -0.09 -1.51 0.00 0.00 179.97 179.32 2bd0 h ARG 75 N 0.65 0.71 -0.39 0.20 2.43 -0.23 -1.07 114.38 116.68 2bd0 h ARG 75 Ca 0.08 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2bd0 h ARG 75 Cb 0.77 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2bd0 h ARG 75 CO 0.06 0.75 0.20 -0.07 -1.51 0.00 0.00 179.97 179.41 2bd0 h LEU 76 N 0.56 0.49 -0.12 3.80 3.38 -0.32 -1.43 115.31 121.66 2bd0 h LEU 76 Ca 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2bd0 h LEU 76 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2bd0 h LEU 76 CO 0.01 0.45 0.05 0.74 0.09 0.00 0.00 178.44 179.79 2bd0 h THR 77 N 0.49 1.14 -0.23 0.22 2.02 -1.23 -2.71 112.91 112.61 2bd0 h THR 77 Ca 0.14 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 2bd0 h THR 77 Cb 0.08 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2bd0 h THR 77 CO -0.02 0.12 -0.15 0.71 0.37 0.00 0.00 175.52 176.56 2bd0 h THR 78 N 0.06 1.22 -0.36 3.16 1.35 -1.15 -2.01 112.91 115.17 2bd0 h THR 78 Ca 0.04 -0.97 0.01 0.00 -0.55 0.00 0.00 66.41 64.94 2bd0 h THR 78 Cb 0.15 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 2bd0 h THR 78 CO -0.00 0.31 0.23 -0.74 -0.25 0.00 0.00 175.52 175.06 2bd0 h HIS 79 N 0.36 0.43 0.08 4.73 6.17 -1.09 0.27 115.15 126.10 2bd0 h HIS 79 Ca 0.07 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.15 2bd0 h HIS 79 Cb 0.47 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.26 2bd0 h HIS 79 CO 0.01 0.26 -0.04 0.82 0.71 0.00 0.00 177.93 179.70 2bd0 h ILE 80 N 0.46 0.99 -0.06 6.26 2.04 -1.15 0.09 117.51 126.14 2bd0 h ILE 80 Ca 0.14 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2bd0 h ILE 80 Cb -0.03 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2bd0 h ILE 80 CO -0.05 0.06 0.03 0.58 0.00 0.00 0.00 178.15 178.78 2bd0 h VAL 81 N -0.21 1.08 -0.35 1.67 2.07 -1.17 0.15 116.25 119.50 2bd0 h VAL 81 Ca -0.01 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 2bd0 h VAL 81 Cb 0.17 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2bd0 h VAL 81 CO 0.02 0.07 -0.33 -0.33 0.02 0.00 0.00 177.57 177.02 2bd0 h GLU 82 N 0.00 0.77 0.11 1.57 5.08 -0.46 0.62 114.58 122.29 2bd0 h GLU 82 Ca 0.02 -0.37 -0.33 0.00 -1.00 0.00 0.00 59.36 57.68 2bd0 h GLU 82 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2bd0 h GLU 82 CO -0.00 0.99 -1.77 -0.09 -1.00 0.00 0.00 179.01 177.13 2bd0 h ARG 83 N 0.65 0.24 0.00 2.33 2.43 -0.98 -3.42 114.38 115.63 2bd0 h ARG 83 Ca 0.07 -0.41 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 2bd0 h ARG 83 Cb 0.87 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2bd0 h ARG 83 CO 0.08 1.09 -1.30 0.66 -1.51 0.00 0.00 179.97 178.98 2bd0 n TYR 84 N -3.42 0.00 -0.02 2.20 4.02 0.44 -5.02 117.16 115.35 2bd0 n TYR 84 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 2bd0 n TYR 84 Cb 1.05 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 40.18 2bd0 n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bd0 n GLY 85 N 2.49 2.64 3.65 2.72 0.00 0.21 -4.96 105.19 111.94 2bd0 n GLY 85 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2bd0 n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bd0 s HIS 86 N -2.92 -0.34 -0.03 1.61 -3.43 -1.26 -4.90 115.29 104.03 2bd0 s HIS 86 Ca 0.00 0.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.28 2bd0 s HIS 86 Cb 0.00 0.63 0.02 0.00 -1.43 0.00 0.00 32.58 31.80 2bd0 s HIS 86 CO 0.00 -1.00 -0.01 -1.50 -2.00 0.00 0.00 174.74 170.23 2bd0 s ILE 87 N -3.74 0.27 -0.11 -5.38 2.07 -1.26 -4.81 121.20 108.24 2bd0 s ILE 87 Ca 0.07 0.01 0.16 0.00 -1.41 0.00 0.00 60.65 59.48 2bd0 s ILE 87 Cb -0.03 -0.33 -0.23 0.00 0.13 0.00 0.00 42.46 41.99 2bd0 s ILE 87 CO -0.03 0.16 0.18 0.47 -1.91 0.00 0.00 174.94 173.81 2bd0 n ASP 88 N 3.98 0.91 -3.71 4.50 8.00 -0.19 -4.75 116.55 125.29 2bd0 n ASP 88 Ca -0.25 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.13 2bd0 n ASP 88 Cb 0.51 1.24 -0.11 0.00 -0.02 0.00 0.00 41.12 42.74 2bd0 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bd0 s LEU 90 N 1.12 2.00 -0.41 0.00 2.96 -0.25 -0.73 118.68 123.38 2bd0 s LEU 90 Ca -0.08 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2bd0 s LEU 90 Cb -0.08 -1.36 0.10 0.00 0.50 0.00 0.00 46.19 45.35 2bd0 s LEU 90 CO -0.09 0.04 0.21 -0.69 -1.32 0.00 0.00 176.35 174.50 2bd0 s VAL 91 N 0.97 3.56 -1.23 1.68 1.01 0.12 -0.48 120.40 126.04 2bd0 s VAL 91 Ca -0.04 -1.82 -0.18 0.00 0.00 0.00 0.00 61.98 59.93 2bd0 s VAL 91 Cb -0.15 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.98 2bd0 s VAL 91 CO -0.04 -0.60 1.64 0.20 0.00 0.00 0.00 175.10 176.29 2bd0 s ASN 92 N 1.93 6.80 -0.20 3.32 0.01 0.43 -2.34 114.94 124.90 2bd0 s ASN 92 Ca 0.05 -2.32 0.11 0.00 -0.71 0.00 0.00 52.86 49.99 2bd0 s ASN 92 Cb -0.23 -2.55 -0.20 0.00 0.41 0.00 0.00 41.25 38.68 2bd0 s ASN 92 CO -0.02 -1.18 -0.04 -3.20 -1.51 0.00 0.00 177.10 171.15 2bd0 n ASN 93 N 8.13 1.08 -4.59 -1.22 5.15 -1.25 -1.80 115.26 120.76 2bd0 n ASN 93 Ca 0.44 -0.05 -0.52 0.00 -0.60 0.00 0.00 54.58 53.85 2bd0 n ASN 93 Cb 0.47 0.46 -0.06 0.00 -0.53 0.00 0.00 39.78 40.12 2bd0 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bd0 n ALA 94 N -2.88 -1.01 -3.52 5.20 0.00 -1.17 -4.87 120.51 112.26 2bd0 n ALA 94 Ca -0.35 0.52 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 2bd0 n ALA 94 Cb 1.04 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 2bd0 n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bd0 s GLY 95 N 0.44 -0.44 0.18 0.00 0.00 -1.26 -4.80 107.32 101.44 2bd0 s GLY 95 Ca 0.84 1.13 0.03 0.00 0.00 0.00 0.00 44.72 46.71 2bd0 s GLY 95 CO 0.47 0.40 -0.02 -1.34 0.00 0.00 0.00 173.10 172.61 2bd0 s VAL 96 N -2.92 0.85 -0.06 1.40 -7.23 -1.26 -5.04 120.40 106.13 2bd0 s VAL 96 Ca 0.05 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.19 2bd0 s VAL 96 Cb -0.01 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.87 2bd0 s VAL 96 CO -0.08 -0.51 0.14 -0.83 -0.31 0.00 0.00 175.10 173.51 2bd0 s GLY 97 N -3.20 -0.01 -0.19 2.32 0.00 -1.26 -4.92 107.32 100.06 2bd0 s GLY 97 Ca 0.23 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.60 2bd0 s GLY 97 CO 0.04 1.07 -0.17 0.50 0.00 0.00 0.00 173.10 174.53 2bd0 s ARG 98 N 1.32 2.75 0.22 2.90 1.81 -1.26 -5.10 118.95 121.59 2bd0 s ARG 98 Ca -0.08 -0.89 0.11 0.00 -1.72 0.00 0.00 55.73 53.15 2bd0 s ARG 98 Cb -0.12 -2.57 -0.05 0.00 -0.45 0.00 0.00 34.95 31.76 2bd0 s ARG 98 CO -0.06 -0.28 -0.20 -0.06 -0.68 0.00 0.00 175.30 174.02 2bd0 s PHE 99 N 1.28 2.37 0.00 -0.53 0.40 -1.26 -4.37 117.98 115.86 2bd0 s PHE 99 Ca 0.02 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 2bd0 s PHE 99 Cb -0.14 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.27 2bd0 s PHE 99 CO -0.11 0.57 0.00 0.41 0.70 0.00 0.00 175.22 176.79 2bd0 n GLY 100 N -0.09 2.25 3.73 4.36 0.00 -0.61 -5.00 105.19 109.84 2bd0 n GLY 100 Ca -0.10 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 2bd0 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 n ALA 101 N -0.87 1.32 -0.28 4.61 0.00 -1.26 -4.40 120.51 119.64 2bd0 n ALA 101 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.53 2bd0 n ALA 101 Cb 0.00 -2.34 0.13 0.00 0.00 0.00 0.00 19.45 17.24 2bd0 n ALA 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bd0 h LEU 102 N 0.89 -0.61 -0.85 0.00 5.85 -1.93 0.09 115.31 118.75 2bd0 h LEU 102 Ca -0.51 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2bd0 h LEU 102 Cb 1.33 0.45 0.00 0.00 0.37 0.00 0.00 40.66 42.81 2bd0 h LEU 102 CO 0.55 -0.25 0.00 0.77 -0.34 0.00 0.00 178.44 179.17 2bd0 h SER 103 N 0.03 0.00 0.33 1.25 4.64 -1.99 -3.13 113.55 114.67 2bd0 h SER 103 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2bd0 h SER 103 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2bd0 h SER 103 CO -0.78 0.00 -0.87 0.47 -0.87 0.00 0.00 176.83 174.78 2bd0 n ASP 104 N -2.33 0.68 -4.75 4.97 8.00 0.01 -4.95 116.55 118.18 2bd0 n ASP 104 Ca 0.02 -0.44 -0.41 0.00 0.71 0.00 0.00 54.79 54.67 2bd0 n ASP 104 Cb 0.22 0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 41.98 2bd0 n ASP 104 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bd0 s LEU 105 N -3.39 4.50 0.43 0.64 1.43 -1.18 -4.97 118.68 116.15 2bd0 s LEU 105 Ca 0.07 2.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.56 2bd0 s LEU 105 Cb 0.16 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 2bd0 s LEU 105 CO 0.79 -0.27 0.38 0.42 0.23 0.00 0.00 176.35 177.90 2bd0 s THR 106 N -0.81 2.52 0.30 5.49 -4.23 -1.26 -5.00 115.64 112.66 2bd0 s THR 106 Ca 0.48 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2bd0 s THR 106 Cb -0.33 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 70.81 2bd0 s THR 106 CO 0.41 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 176.29 2bd0 h GLU 107 N 1.00 0.82 -0.35 3.99 4.81 -1.99 -1.71 114.58 121.14 2bd0 h GLU 107 Ca -0.41 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.59 2bd0 h GLU 107 Cb 1.27 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2bd0 h GLU 107 CO 0.58 0.68 -0.22 1.49 -0.73 0.00 0.00 179.01 180.81 2bd0 h GLU 108 N 0.80 0.69 -0.72 1.92 4.22 -1.99 0.01 114.58 119.52 2bd0 h GLU 108 Ca 0.19 -0.27 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 2bd0 h GLU 108 Cb 0.18 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2bd0 h GLU 108 CO -0.02 0.85 0.40 -0.44 -2.18 0.00 0.00 179.01 177.62 2bd0 h ASP 109 N 0.60 0.89 0.26 1.04 3.32 -1.75 -0.38 116.42 120.41 2bd0 h ASP 109 Ca 0.09 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2bd0 h ASP 109 Cb 0.70 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2bd0 h ASP 109 CO 0.05 0.73 -0.12 0.15 -1.72 0.00 0.00 179.24 178.33 2bd0 h PHE 110 N 0.98 -0.32 -0.55 4.55 3.04 -0.92 -2.29 116.94 121.43 2bd0 h PHE 110 Ca 0.25 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.20 2bd0 h PHE 110 Cb 0.03 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 2bd0 h PHE 110 CO -0.00 -0.01 0.37 -0.44 -2.02 0.00 0.00 178.31 176.21 2bd0 h ASP 111 N -0.65 0.63 -0.72 0.41 3.32 -0.93 -0.89 116.42 117.60 2bd0 h ASP 111 Ca -0.04 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2bd0 h ASP 111 Cb 0.46 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2bd0 h ASP 111 CO 0.06 0.46 0.33 0.22 -1.72 0.00 0.00 179.24 178.58 2bd0 h TYR 112 N 0.75 1.06 0.01 4.55 3.20 -1.12 0.00 116.97 125.43 2bd0 h TYR 112 Ca 0.20 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2bd0 h TYR 112 Cb -0.09 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.86 2bd0 h TYR 112 CO -0.04 0.80 -0.01 1.15 -1.64 0.00 0.00 178.16 178.42 2bd0 h THR 113 N 1.02 1.25 -0.22 1.81 2.02 -1.09 -3.29 112.91 114.41 2bd0 h THR 113 Ca 0.25 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 2bd0 h THR 113 Cb 0.15 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2bd0 h THR 113 CO -0.03 0.21 -0.37 0.24 0.37 0.00 0.00 175.52 175.94 2bd0 h MET 114 N -0.37 0.49 -0.40 6.66 2.86 -1.09 -1.06 114.93 122.01 2bd0 h MET 114 Ca -0.00 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2bd0 h MET 114 Cb 0.36 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2bd0 h MET 114 CO 0.00 0.79 0.27 -0.91 1.06 0.00 0.00 176.91 178.12 2bd0 h ASN 115 N 0.41 0.35 0.00 1.22 -0.26 -1.06 0.17 115.58 116.41 2bd0 h ASN 115 Ca 0.04 -0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.69 2bd0 h ASN 115 Cb 0.83 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.00 2bd0 h ASN 115 CO 0.07 0.24 -1.11 0.41 -1.06 0.00 0.00 177.43 175.97 2bd0 n THR 116 N -4.48 1.48 -0.35 2.81 -1.04 -1.18 -1.10 114.28 110.43 2bd0 n THR 116 Ca 0.04 0.07 0.01 0.00 -2.04 0.00 0.00 64.05 62.14 2bd0 n THR 116 Cb 0.18 -2.26 0.18 0.00 -1.82 0.00 0.00 70.33 66.60 2bd0 n THR 116 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2bd0 h ASN 117 N -1.00 1.03 0.00 8.00 -0.26 -1.26 -2.82 115.58 119.27 2bd0 h ASN 117 Ca -0.14 -0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.42 2bd0 h ASN 117 Cb 0.98 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.98 2bd0 h ASN 117 CO -0.08 0.70 -1.44 0.18 -1.06 0.00 0.00 177.43 175.72 2bd0 n LEU 118 N -4.46 1.41 0.33 1.61 4.77 -0.63 -4.44 117.00 115.59 2bd0 n LEU 118 Ca 0.14 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 2bd0 n LEU 118 Cb 0.12 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2bd0 n LEU 118 CO 0.34 0.03 0.49 0.50 -1.33 0.00 0.00 177.39 177.42 2bd0 h LYS 119 N -0.64 -0.81 -0.41 3.23 3.64 -1.11 0.06 116.57 120.54 2bd0 h LYS 119 Ca -0.27 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2bd0 h LYS 119 Cb 1.08 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 2bd0 h LYS 119 CO -0.16 -0.49 0.23 0.78 -2.27 0.00 0.00 179.45 177.54 2bd0 h GLY 120 N -1.07 0.57 0.80 5.01 0.00 -1.13 -1.81 103.07 105.44 2bd0 h GLY 120 Ca -0.09 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.11 2bd0 h GLY 120 CO 0.14 0.14 0.36 -0.84 0.00 0.00 0.00 176.54 176.34 2bd0 h THR 121 N 0.47 1.03 0.42 4.70 2.02 -1.52 -1.18 112.91 118.85 2bd0 h THR 121 Ca 0.17 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2bd0 h THR 121 Cb 0.03 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2bd0 h THR 121 CO -0.09 0.13 -0.20 0.15 0.37 0.00 0.00 175.52 175.87 2bd0 h PHE 122 N 0.69 -0.53 0.00 3.16 3.57 -0.55 -1.83 116.94 121.45 2bd0 h PHE 122 Ca 0.26 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 2bd0 h PHE 122 Cb 0.08 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2bd0 h PHE 122 CO -0.07 -0.27 -0.34 0.74 -2.23 0.00 0.00 178.31 176.14 2bd0 h PHE 123 N -0.68 0.00 -0.25 0.41 0.04 -1.24 0.20 116.94 115.42 2bd0 h PHE 123 Ca -0.06 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.52 2bd0 h PHE 123 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2bd0 h PHE 123 CO -0.02 0.34 -0.61 1.25 -0.60 0.00 0.00 178.31 178.67 2bd0 h LEU 124 N 0.00 0.95 -0.47 1.54 5.85 -1.21 -2.20 115.31 119.77 2bd0 h LEU 124 Ca -0.00 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 2bd0 h LEU 124 Cb 0.62 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2bd0 h LEU 124 CO 0.04 1.34 0.12 0.74 -0.34 0.00 0.00 178.44 180.34 2bd0 h THR 125 N 0.63 1.24 -0.17 1.05 2.02 -0.83 -1.39 112.91 115.45 2bd0 h THR 125 Ca -0.00 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.39 2bd0 h THR 125 Cb 1.22 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 2bd0 h THR 125 CO 0.13 0.29 -0.02 -0.61 0.37 0.00 0.00 175.52 175.68 2bd0 h GLN 126 N 0.63 0.03 0.09 6.66 4.15 -0.55 0.51 115.11 126.63 2bd0 h GLN 126 Ca 0.15 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2bd0 h GLN 126 Cb 0.32 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2bd0 h GLN 126 CO 0.00 0.02 -0.05 0.00 -1.93 0.00 0.00 178.83 176.87 2bd0 h ALA 127 N 1.16 -0.13 0.00 3.38 0.00 -1.26 -2.96 119.26 119.45 2bd0 h ALA 127 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2bd0 h ALA 127 Cb 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2bd0 h ALA 127 CO -0.16 -0.45 -0.63 -0.07 0.00 0.00 0.00 179.25 177.93 2bd0 h LEU 128 N -0.36 0.00 -1.15 0.00 3.38 -1.22 -2.98 115.31 112.98 2bd0 h LEU 128 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2bd0 h LEU 128 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2bd0 h LEU 128 CO 0.02 0.63 -0.20 0.15 0.09 0.00 0.00 178.44 179.13 2bd0 h PHE 129 N 0.00 0.37 -0.97 1.13 3.57 -0.93 -2.12 116.94 118.00 2bd0 h PHE 129 Ca -0.01 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.51 2bd0 h PHE 129 Cb 1.18 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 2bd0 h PHE 129 CO 0.00 0.53 0.62 0.00 -2.23 0.00 0.00 178.31 177.23 2bd0 h ALA 130 N 1.48 1.48 -0.07 2.41 0.00 -1.36 0.26 119.26 123.47 2bd0 h ALA 130 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2bd0 h ALA 130 Cb 0.54 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bd0 h ALA 130 CO 0.04 0.35 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 2bd0 h LEU 131 N 1.07 0.11 -0.96 0.00 -0.00 -1.44 -2.78 115.31 111.31 2bd0 h LEU 131 Ca 0.43 -0.30 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2bd0 h LEU 131 Cb 0.26 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 2bd0 h LEU 131 CO -0.18 0.39 0.51 0.24 -0.00 0.00 0.00 178.44 179.40 2bd0 h MET 132 N -0.16 1.24 -0.94 1.13 2.86 -0.93 -1.53 114.93 116.59 2bd0 h MET 132 Ca 0.02 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2bd0 h MET 132 Cb 0.33 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 2bd0 h MET 132 CO 0.00 0.89 0.61 1.49 1.06 0.00 0.00 176.91 180.97 2bd0 h GLU 133 N 1.25 1.12 -0.21 1.72 4.81 -0.47 0.30 114.58 123.09 2bd0 h GLU 133 Ca 0.32 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.29 2bd0 h GLU 133 Cb -0.00 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2bd0 h GLU 133 CO -0.05 0.74 -0.63 0.00 -0.73 0.00 0.00 179.01 178.34 2bd0 h ARG 134 N 1.15 0.75 0.00 1.92 3.08 -1.11 -3.10 114.38 117.07 2bd0 h ARG 134 Ca 0.38 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2bd0 h ARG 134 Cb 0.07 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2bd0 h ARG 134 CO -0.13 1.14 -0.12 1.96 -1.07 0.00 0.00 179.97 181.75 2bd0 h GLN 135 N 0.55 0.00 -5.35 0.04 4.20 -0.50 -3.47 115.11 110.59 2bd0 h GLN 135 Ca -0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.33 2bd0 h GLN 135 Cb 1.22 0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.13 2bd0 h GLN 135 CO 0.13 0.12 -0.62 0.72 -0.67 0.00 0.00 178.83 178.51 2bd0 n HIS 136 N -3.20 -2.60 -3.58 2.96 8.25 0.99 -4.98 115.22 113.06 2bd0 n HIS 136 Ca 0.01 0.90 -0.12 0.00 -0.26 0.00 0.00 57.72 58.26 2bd0 n HIS 136 Cb 0.45 -4.68 -0.06 0.00 1.12 0.00 0.00 29.99 26.82 2bd0 n HIS 136 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bd0 s SER 137 N -3.25 -0.43 0.00 0.41 1.04 -1.10 -4.60 113.70 105.77 2bd0 s SER 137 Ca 0.52 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2bd0 s SER 137 Cb -0.23 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2bd0 s SER 137 CO 0.65 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2bd0 n GLY 138 N 1.00 3.67 2.79 7.32 0.00 -1.25 -4.53 105.19 114.19 2bd0 n GLY 138 Ca -0.12 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 2bd0 n GLY 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bd0 s HIS 139 N -2.00 -0.01 -0.14 1.61 2.46 -0.52 -0.45 115.29 116.25 2bd0 s HIS 139 Ca 0.00 0.22 0.02 0.00 0.47 0.00 0.00 55.06 55.78 2bd0 s HIS 139 Cb 0.00 -0.24 0.01 0.00 -0.13 0.00 0.00 32.58 32.22 2bd0 s HIS 139 CO 0.00 -0.12 -0.22 0.42 -2.47 0.00 0.00 174.74 172.35 2bd0 s ILE 140 N 1.24 2.11 -0.10 0.89 -1.09 0.42 -1.09 121.20 123.57 2bd0 s ILE 140 Ca -0.07 -0.97 -0.03 0.00 -2.23 0.00 0.00 60.65 57.35 2bd0 s ILE 140 Cb -0.13 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 38.88 2bd0 s ILE 140 CO -0.04 0.55 0.02 -0.36 -1.23 0.00 0.00 174.94 173.88 2bd0 s PHE 141 N 0.77 3.21 -0.15 3.97 0.40 0.37 -1.19 117.98 125.36 2bd0 s PHE 141 Ca -0.08 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.45 2bd0 s PHE 141 Cb -0.16 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.54 2bd0 s PHE 141 CO -0.01 0.43 -0.19 -0.06 0.70 0.00 0.00 175.22 176.09 2bd0 s PHE 142 N -0.68 2.56 -0.68 0.36 0.40 0.15 -0.42 117.98 119.67 2bd0 s PHE 142 Ca 0.11 -1.40 -0.19 0.00 -0.60 0.00 0.00 56.93 54.86 2bd0 s PHE 142 Cb -0.12 -1.78 0.12 0.00 0.51 0.00 0.00 43.02 41.75 2bd0 s PHE 142 CO 0.02 -0.68 0.79 0.42 0.70 0.00 0.00 175.22 176.48 2bd0 s ILE 143 N 1.11 4.87 0.00 0.64 -1.09 -0.74 -0.99 121.20 124.99 2bd0 s ILE 143 Ca -0.01 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 2bd0 s ILE 143 Cb -0.14 -4.55 0.00 0.00 -1.58 0.00 0.00 42.46 36.19 2bd0 s ILE 143 CO -0.07 -1.20 0.00 0.35 -1.23 0.00 0.00 174.94 172.79 2bd0 n THR 144 N 5.37 0.00 0.00 2.92 -2.24 0.05 -4.86 114.28 115.52 2bd0 n THR 144 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2bd0 n THR 144 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2bd0 n THR 144 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2bd0 n SER 145 N 0.00 0.00 0.28 3.42 2.88 -1.25 -4.68 113.62 114.26 2bd0 n SER 145 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 2bd0 n SER 145 Cb 0.00 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.23 2bd0 n SER 145 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2bd0 h VAL 146 N 0.36 0.00 0.00 2.46 -1.51 -1.56 -1.29 116.25 114.70 2bd0 h VAL 146 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2bd0 h VAL 146 Cb 0.00 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2bd0 h VAL 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2bd0 n ALA 147 N -2.06 2.23 0.77 5.19 0.00 -1.26 -1.58 120.51 123.80 2bd0 n ALA 147 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2bd0 n ALA 147 Cb 0.25 -1.28 0.23 0.00 0.00 0.00 0.00 19.45 18.65 2bd0 n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bd0 n ALA 148 N -0.93 3.15 -0.25 0.00 0.00 -0.49 -4.22 120.51 117.78 2bd0 n ALA 148 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2bd0 n ALA 148 Cb 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2bd0 n ALA 148 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bd0 n THR 149 N -1.82 0.00 -4.16 0.00 -2.24 -0.83 -4.21 114.28 101.02 2bd0 n THR 149 Ca 0.04 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 2bd0 n THR 149 Cb 0.39 1.25 -0.14 0.00 -2.10 0.00 0.00 70.33 69.73 2bd0 n THR 149 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2bd0 s LYS 150 N -0.22 0.51 0.21 -0.78 2.20 -0.61 -5.16 119.74 115.89 2bd0 s LYS 150 Ca 0.00 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 2bd0 s LYS 150 Cb 0.00 -0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 35.85 2bd0 s LYS 150 CO 0.00 0.11 0.35 0.00 -0.36 0.00 0.00 175.35 175.45 2bd0 s ALA 151 N -0.52 3.92 0.01 3.13 0.00 -1.26 -4.21 121.76 122.82 2bd0 s ALA 151 Ca -0.01 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2bd0 s ALA 151 Cb -0.05 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2bd0 s ALA 151 CO 0.00 0.34 -0.05 -0.06 0.00 0.00 0.00 175.76 175.99 2bd0 s PHE 152 N -1.91 0.42 0.24 0.00 0.40 -1.26 -5.07 117.98 110.79 2bd0 s PHE 152 Ca 0.35 -0.22 -0.11 0.00 -0.60 0.00 0.00 56.93 56.35 2bd0 s PHE 152 Cb -0.10 -0.27 0.32 0.00 0.51 0.00 0.00 43.02 43.49 2bd0 s PHE 152 CO 0.29 -0.04 1.60 -0.09 0.70 0.00 0.00 175.22 177.68 2bd0 h ARG 153 N 5.54 0.00 -0.61 0.44 2.43 -1.99 -0.58 114.38 119.61 2bd0 h ARG 153 Ca -0.30 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2bd0 h ARG 153 Cb 1.20 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2bd0 h ARG 153 CO 0.47 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.65 2bd0 n HIS 154 N -5.50 1.04 -1.55 2.20 8.25 -1.26 -4.30 115.22 114.09 2bd0 n HIS 154 Ca 0.11 -0.42 -0.09 0.00 -0.26 0.00 0.00 57.72 57.06 2bd0 n HIS 154 Cb 0.40 -0.18 0.17 0.00 1.12 0.00 0.00 29.99 31.49 2bd0 n HIS 154 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2bd0 n SER 155 N 0.73 3.10 -0.02 0.41 7.64 -0.22 -1.58 113.62 123.69 2bd0 n SER 155 Ca 0.18 -3.80 -0.09 0.00 1.01 0.00 0.00 58.87 56.17 2bd0 n SER 155 Cb 0.66 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 2bd0 n SER 155 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2bd0 h SER 156 N 1.24 -0.33 0.01 6.43 4.64 -1.75 0.51 113.55 124.30 2bd0 h SER 156 Ca 0.25 0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 61.42 2bd0 h SER 156 Cb 1.53 0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.81 2bd0 h SER 156 CO 0.50 -0.13 -0.87 0.40 -0.87 0.00 0.00 176.83 175.85 2bd0 h ILE 157 N -0.10 1.30 -0.45 0.95 2.04 -1.86 -2.26 117.51 117.13 2bd0 h ILE 157 Ca 0.09 -2.13 -0.02 0.00 1.00 0.00 0.00 64.86 63.81 2bd0 h ILE 157 Cb 0.24 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 2bd0 h ILE 157 CO -0.22 0.66 0.22 0.22 0.00 0.00 0.00 178.15 179.03 2bd0 h TYR 158 N 0.43 0.64 -0.54 1.37 3.20 -1.70 -1.90 116.97 118.46 2bd0 h TYR 158 Ca -0.08 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.69 2bd0 h TYR 158 Cb 1.50 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 2bd0 h TYR 158 CO 0.08 0.51 0.05 0.00 -1.64 0.00 0.00 178.16 177.17 2bd0 h MET 160 N 0.84 1.13 -0.21 0.00 2.86 -1.05 0.18 114.93 118.67 2bd0 h MET 160 Ca 0.17 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.57 2bd0 h MET 160 Cb 0.43 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2bd0 h MET 160 CO 0.01 0.75 -0.54 0.66 1.06 0.00 0.00 176.91 178.85 2bd0 h SER 161 N 1.17 0.70 0.35 1.22 4.64 -0.65 -0.78 113.55 120.19 2bd0 h SER 161 Ca 0.35 -0.37 -0.30 0.00 -0.47 0.00 0.00 61.79 61.00 2bd0 h SER 161 Cb -0.05 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 61.86 2bd0 h SER 161 CO -0.10 1.10 -1.30 0.11 -0.87 0.00 0.00 176.83 175.77 2bd0 h LYS 162 N 0.49 0.47 -0.79 4.77 1.79 -0.61 -1.10 116.57 121.59 2bd0 h LYS 162 Ca 0.01 -0.73 -0.01 0.00 -2.18 0.00 0.00 60.65 57.74 2bd0 h LYS 162 Cb 1.10 0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 31.97 2bd0 h LYS 162 CO 0.11 1.33 0.44 0.74 -1.08 0.00 0.00 179.45 180.99 2bd0 h PHE 163 N 0.17 1.08 -0.65 -1.35 -1.00 -0.71 -2.00 116.94 112.47 2bd0 h PHE 163 Ca -0.19 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.62 2bd0 h PHE 163 Cb 2.00 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 41.16 2bd0 h PHE 163 CO 0.10 0.75 0.37 0.78 -1.61 0.00 0.00 178.31 178.70 2bd0 h GLY 164 N 1.09 0.95 1.17 -1.45 0.00 -1.02 -1.61 103.07 102.21 2bd0 h GLY 164 Ca 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2bd0 h GLY 164 CO -0.05 0.17 0.41 1.46 0.00 0.00 0.00 176.54 178.54 2bd0 h GLN 165 N 0.69 1.09 -0.37 4.80 4.20 -0.64 -1.34 115.11 123.54 2bd0 h GLN 165 Ca 0.29 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2bd0 h GLN 165 Cb 0.15 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2bd0 h GLN 165 CO -0.17 0.81 0.10 -0.09 -0.67 0.00 0.00 178.83 178.81 2bd0 h ARG 166 N 1.09 0.53 -0.86 1.46 2.43 -0.62 0.21 114.38 118.62 2bd0 h ARG 166 Ca 0.27 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2bd0 h ARG 166 Cb 0.05 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2bd0 h ARG 166 CO -0.04 0.48 0.56 0.78 -1.51 0.00 0.00 179.97 180.23 2bd0 h GLY 167 N 0.73 1.22 0.81 2.80 0.00 -0.48 0.07 103.07 108.22 2bd0 h GLY 167 Ca 0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 2bd0 h GLY 167 CO -0.01 0.46 -0.07 -2.00 0.00 0.00 0.00 176.54 174.92 2bd0 h LEU 168 N 1.17 0.42 -0.37 3.11 5.85 -0.89 -2.57 115.31 122.04 2bd0 h LEU 168 Ca 0.31 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.72 2bd0 h LEU 168 Cb -0.11 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 2bd0 h LEU 168 CO -0.07 0.71 -0.09 0.58 -0.34 0.00 0.00 178.44 179.24 2bd0 h VAL 169 N 0.13 0.64 -0.29 1.05 2.07 -0.52 0.17 116.25 119.50 2bd0 h VAL 169 Ca 0.05 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2bd0 h VAL 169 Cb 0.54 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2bd0 h VAL 169 CO 0.02 0.00 -0.00 -0.33 0.02 0.00 0.00 177.57 177.28 2bd0 h GLU 170 N 0.01 0.45 -0.22 1.57 4.39 -0.95 -1.85 114.58 117.97 2bd0 h GLU 170 Ca 0.18 -0.09 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 2bd0 h GLU 170 Cb 0.27 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2bd0 h GLU 170 CO -0.37 0.48 -0.56 1.15 -1.16 0.00 0.00 179.01 178.55 2bd0 h THR 171 N 0.43 1.30 -0.24 1.13 2.02 -0.95 -3.07 112.91 113.53 2bd0 h THR 171 Ca 0.10 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.51 2bd0 h THR 171 Cb 0.29 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2bd0 h THR 171 CO 0.01 0.56 0.15 0.24 0.37 0.00 0.00 175.52 176.86 2bd0 h MET 172 N 0.50 0.31 -0.64 6.66 2.86 -0.42 -1.59 114.93 122.61 2bd0 h MET 172 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2bd0 h MET 172 Cb 1.18 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 2bd0 h MET 172 CO 0.12 0.21 0.38 0.00 1.06 0.00 0.00 176.91 178.68 2bd0 h ARG 173 N 0.32 0.87 -0.63 1.72 3.08 -1.25 0.16 114.38 118.65 2bd0 h ARG 173 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2bd0 h ARG 173 Cb -0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 2bd0 h ARG 173 CO -0.02 0.61 0.35 -0.07 -1.07 0.00 0.00 179.97 179.77 2bd0 h LEU 174 N 0.88 0.78 -0.08 3.04 3.38 -1.34 -2.13 115.31 119.84 2bd0 h LEU 174 Ca 0.23 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 2bd0 h LEU 174 Cb -0.03 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.53 2bd0 h LEU 174 CO -0.04 0.64 -0.58 1.88 0.09 0.00 0.00 178.44 180.43 2bd0 h TYR 175 N 0.85 0.75 -1.01 1.13 0.05 -1.40 -3.35 116.97 113.99 2bd0 h TYR 175 Ca 0.22 -0.35 0.02 0.00 0.05 0.00 0.00 58.73 58.67 2bd0 h TYR 175 Cb 0.03 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 2bd0 h TYR 175 CO -0.01 1.14 0.67 0.00 -1.05 0.00 0.00 178.16 178.91 2bd0 h ALA 176 N 0.45 1.30 0.00 3.88 0.00 -0.55 -2.73 119.26 121.60 2bd0 h ALA 176 Ca -0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bd0 h ALA 176 Cb 1.24 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2bd0 h ALA 176 CO 0.12 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 180.00 2bd0 h ARG 177 N 1.35 0.00 -0.01 0.00 3.08 -1.52 -2.16 114.38 115.12 2bd0 h ARG 177 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2bd0 h ARG 177 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2bd0 h ARG 177 CO -0.09 0.01 -0.33 1.63 -1.07 0.00 0.00 179.97 180.12 2bd0 n LYS 178 N -3.14 0.56 -1.31 0.04 5.02 -1.03 -4.35 118.16 113.95 2bd0 n LYS 178 Ca -0.02 -0.32 0.04 0.00 -2.02 0.00 0.00 58.31 55.99 2bd0 n LYS 178 Cb 0.17 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 2bd0 n LYS 178 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bd0 n ASN 180 N 0.22 -5.97 -4.64 0.00 4.05 -1.14 -3.56 115.26 104.22 2bd0 n ASN 180 Ca 0.08 -0.19 -0.35 0.00 0.45 0.00 0.00 54.58 54.58 2bd0 n ASN 180 Cb 1.06 -4.88 -0.10 0.00 1.23 0.00 0.00 39.78 37.08 2bd0 n ASN 180 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2bd0 s VAL 181 N -3.12 4.15 -0.12 3.44 1.01 -0.93 -3.88 120.40 120.96 2bd0 s VAL 181 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 2bd0 s VAL 181 Cb -0.09 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2bd0 s VAL 181 CO 0.24 0.59 0.19 -0.13 0.00 0.00 0.00 175.10 175.99 2bd0 s ARG 182 N -0.70 3.71 -0.15 2.72 0.52 0.41 -4.39 118.95 121.07 2bd0 s ARG 182 Ca 0.11 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.29 2bd0 s ARG 182 Cb -0.12 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 32.12 2bd0 s ARG 182 CO 0.02 0.64 -0.18 0.42 0.02 0.00 0.00 175.30 176.22 2bd0 s ILE 183 N -0.68 1.86 -0.09 1.52 -1.09 -1.26 -0.44 121.20 121.03 2bd0 s ILE 183 Ca 0.15 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 2bd0 s ILE 183 Cb -0.13 -1.69 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 2bd0 s ILE 183 CO 0.04 0.51 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.16 2bd0 s THR 184 N 1.21 1.82 -0.36 2.92 2.01 -0.33 -4.35 115.64 118.56 2bd0 s THR 184 Ca 0.01 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 2bd0 s THR 184 Cb -0.14 -1.59 0.07 0.00 0.01 0.00 0.00 72.50 70.86 2bd0 s THR 184 CO -0.09 0.51 0.13 -0.62 -0.69 0.00 0.00 174.62 173.86 2bd0 s ASP 185 N 0.40 5.22 -0.23 3.53 -1.08 0.59 -0.67 116.67 124.43 2bd0 s ASP 185 Ca -0.17 -1.53 -0.17 0.00 -0.52 0.00 0.00 52.55 50.16 2bd0 s ASP 185 Cb -0.17 -1.83 -0.03 0.00 -1.46 0.00 0.00 42.92 39.43 2bd0 s ASP 185 CO 0.07 -0.41 0.47 -0.69 0.52 0.00 0.00 175.17 175.14 2bd0 s VAL 186 N 1.27 5.12 -0.50 1.11 1.01 -0.16 -1.89 120.40 126.36 2bd0 s VAL 186 Ca 0.01 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.86 2bd0 s VAL 186 Cb -0.21 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.50 2bd0 s VAL 186 CO -0.01 0.17 0.25 -1.10 0.00 0.00 0.00 175.10 174.41 2bd0 s GLN 187 N 1.80 1.87 0.33 2.72 -0.21 0.17 -0.77 119.66 125.56 2bd0 s GLN 187 Ca 0.21 -2.52 -0.06 0.00 0.02 0.00 0.00 55.36 53.01 2bd0 s GLN 187 Cb -0.15 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.63 2bd0 s GLN 187 CO 0.09 -1.11 0.62 -2.14 -2.12 0.00 0.00 175.29 170.63 2bd0 s PRO 188 N -0.17 3.66 0.00 2.91 0.02 -1.26 -1.82 135.00 138.34 2bd0 s PRO 188 Ca 0.17 0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.30 2bd0 s PRO 188 Cb -0.26 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.70 2bd0 s PRO 188 CO -0.00 0.13 0.00 0.41 -0.33 0.00 0.00 177.00 177.20 2bd0 n GLY 189 N -1.14 1.30 3.68 0.52 0.00 0.63 -1.88 105.19 108.31 2bd0 n GLY 189 Ca -0.01 -1.86 -0.48 0.00 0.00 0.00 0.00 46.02 43.67 2bd0 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 n ALA 190 N -3.00 0.92 -3.50 4.61 0.00 -1.26 -4.94 120.51 113.34 2bd0 n ALA 190 Ca 0.00 0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 2bd0 n ALA 190 Cb 0.00 -2.46 -0.17 0.00 0.00 0.00 0.00 19.45 16.82 2bd0 n ALA 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bd0 s VAL 191 N 3.48 1.54 -0.50 0.00 1.01 -1.26 -1.25 120.40 123.43 2bd0 s VAL 191 Ca 0.90 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 2bd0 s VAL 191 Cb -0.70 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2bd0 s VAL 191 CO 0.49 0.45 1.88 -0.47 0.00 0.00 0.00 175.10 177.46 2bd0 s TYR 192 N 0.73 1.67 0.24 5.22 5.04 -0.22 -4.85 117.35 125.18 2bd0 s TYR 192 Ca -0.12 0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 55.28 2bd0 s TYR 192 Cb -0.16 -4.06 -0.03 0.00 0.35 0.00 0.00 41.96 38.07 2bd0 s TYR 192 CO 0.02 -2.56 0.27 0.95 -1.34 0.00 0.00 175.55 172.90 2bd0 s THR 193 N 8.54 0.00 0.65 4.34 -4.23 -1.26 -4.45 115.64 119.23 2bd0 s THR 193 Ca 0.74 -1.81 0.42 0.00 -1.18 0.00 0.00 61.69 59.86 2bd0 s THR 193 Cb -0.17 -2.44 0.42 0.00 1.34 0.00 0.00 72.50 71.66 2bd0 s THR 193 CO 0.26 0.00 2.29 -0.65 -0.54 0.00 0.00 174.62 175.98 2bd0 h PRO 194 N 2.43 0.00 -0.19 3.99 0.11 -1.92 -1.49 132.00 134.94 2bd0 h PRO 194 Ca -0.32 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.83 2bd0 h PRO 194 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2bd0 h PRO 194 CO 0.45 0.00 0.13 1.98 -0.21 0.00 0.00 178.00 180.35 2bd0 h MET 195 N 0.00 0.08 0.00 1.05 4.05 -1.95 -1.13 114.93 117.03 2bd0 h MET 195 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2bd0 h MET 195 Cb 0.11 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2bd0 h MET 195 CO 0.00 0.06 -0.69 -1.49 0.23 0.00 0.00 176.91 175.01 2bd0 h TRP 196 N 0.09 0.00 0.00 1.39 4.06 -1.59 -3.50 115.95 116.40 2bd0 h TRP 196 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 2bd0 h TRP 196 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2bd0 h TRP 196 CO -0.00 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.29 2bd0 n GLY 197 N 1.26 3.16 0.00 1.49 0.00 -0.43 -4.75 105.19 105.92 2bd0 n GLY 197 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2bd0 n GLY 197 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bd0 n LYS 198 N 14.00 0.00 0.00 1.61 -0.00 -1.26 -4.94 118.16 127.57 2bd0 n LYS 198 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2bd0 n LYS 198 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2bd0 n LYS 198 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2bd0 n VAL 199 N 0.00 0.00 0.00 0.58 0.24 -1.26 -5.13 118.33 112.76 2bd0 n VAL 199 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2bd0 n VAL 199 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2bd0 n VAL 199 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2bd0 n ASP 200 N 0.00 0.00 -0.27 -1.34 3.85 -1.26 -4.63 116.55 112.90 2bd0 n ASP 200 Ca 0.00 0.00 0.33 0.00 -0.71 0.00 0.00 54.79 54.41 2bd0 n ASP 200 Cb 0.00 0.00 0.65 0.00 -1.35 0.00 0.00 41.12 40.42 2bd0 n ASP 200 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2bd0 h ASP 201 N 0.00 0.00 0.40 -1.12 5.19 -2.00 0.61 116.42 119.50 2bd0 h ASP 201 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2bd0 h ASP 201 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2bd0 h ASP 201 CO 0.00 0.00 -0.19 1.05 -3.12 0.00 0.00 179.24 176.98 2bd0 h GLU 202 N 0.00 -0.52 0.00 3.56 4.11 -1.99 -2.49 114.58 117.24 2bd0 h GLU 202 Ca 0.53 0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.93 2bd0 h GLU 202 Cb 2.53 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.89 2bd0 h GLU 202 CO -0.01 -0.35 -0.31 1.98 0.07 0.00 0.00 179.01 180.40 2bd0 h MET 203 N -0.90 0.00 0.00 1.06 -1.53 -1.61 -1.72 114.93 110.23 2bd0 h MET 203 Ca -0.06 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.16 2bd0 h MET 203 Cb 0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 2bd0 h MET 203 CO 0.09 0.31 -0.20 0.37 0.14 0.00 0.00 176.91 177.63 2bd0 h GLN 204 N 0.00 0.00 0.00 0.39 4.15 -0.99 -0.93 115.11 117.73 2bd0 h GLN 204 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2bd0 h GLN 204 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2bd0 h GLN 204 CO 0.04 0.20 0.00 0.00 -1.93 0.00 0.00 178.83 177.14 2bd0 n ALA 205 N -2.39 2.23 -1.04 3.38 0.00 -0.65 -3.05 120.51 118.98 2bd0 n ALA 205 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.38 2bd0 n ALA 205 Cb 0.28 -1.45 0.31 0.00 0.00 0.00 0.00 19.45 18.58 2bd0 n ALA 205 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bd0 n LEU 206 N -1.95 5.30 -4.38 0.00 4.77 -0.36 -4.96 117.00 115.43 2bd0 n LEU 206 Ca 0.06 -3.17 -0.20 0.00 -0.03 0.00 0.00 56.01 52.67 2bd0 n LEU 206 Cb 0.37 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 2bd0 n LEU 206 CO 0.28 0.78 -0.45 -0.04 -1.33 0.00 0.00 177.39 176.63 2bd0 s MET 207 N -2.94 1.41 0.67 3.23 -1.94 -1.17 -4.79 119.30 113.77 2bd0 s MET 207 Ca 0.51 -1.63 -0.05 0.00 -1.71 0.00 0.00 55.69 52.80 2bd0 s MET 207 Cb 0.41 -1.27 0.05 0.00 2.01 0.00 0.00 34.83 36.03 2bd0 s MET 207 CO 0.12 0.22 0.96 -1.64 -0.01 0.00 0.00 175.02 174.66 2bd0 s MET 208 N -3.62 2.33 0.15 2.03 -1.94 -0.38 -4.84 119.30 113.04 2bd0 s MET 208 Ca 0.24 -0.32 0.07 0.00 -1.71 0.00 0.00 55.69 53.97 2bd0 s MET 208 Cb -0.02 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 2bd0 s MET 208 CO 0.09 -1.09 -0.02 -1.64 -0.01 0.00 0.00 175.02 172.34 2bd0 s MET 209 N -5.14 2.37 0.27 2.03 -1.94 -1.26 -1.05 119.30 114.58 2bd0 s MET 209 Ca 0.59 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 2bd0 s MET 209 Cb -0.11 -2.36 0.62 0.00 2.01 0.00 0.00 34.83 34.98 2bd0 s MET 209 CO 0.44 0.47 1.71 -1.35 -0.01 0.00 0.00 175.02 176.27 2bd0 h PRO 210 N 2.93 0.40 0.00 2.03 0.11 -1.91 -0.04 132.00 135.52 2bd0 h PRO 210 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2bd0 h PRO 210 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2bd0 h PRO 210 CO 0.57 0.26 -0.02 1.05 -0.21 0.00 0.00 178.00 179.65 2bd0 h GLU 211 N 0.41 0.00 0.00 1.05 9.09 -1.92 -0.73 114.58 122.48 2bd0 h GLU 211 Ca 0.50 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.81 2bd0 h GLU 211 Cb 0.88 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.97 2bd0 h GLU 211 CO -0.49 0.02 -0.50 -0.44 0.05 0.00 0.00 179.01 177.65 2bd0 h ASP 212 N 0.00 0.00 0.29 3.06 3.32 -1.40 -2.34 116.42 119.35 2bd0 h ASP 212 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.71 2bd0 h ASP 212 Cb 0.07 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.63 2bd0 h ASP 212 CO 0.00 0.50 -1.62 0.40 -1.72 0.00 0.00 179.24 176.80 2bd0 h ILE 213 N 0.00 1.09 -0.80 0.35 1.08 -1.21 -3.37 117.51 114.65 2bd0 h ILE 213 Ca -0.00 -2.65 -0.02 0.00 -0.39 0.00 0.00 64.86 61.80 2bd0 h ILE 213 Cb 0.89 2.83 -0.04 0.00 -3.07 0.00 0.00 36.82 37.44 2bd0 h ILE 213 CO 0.06 0.84 0.43 0.00 -0.69 0.00 0.00 178.15 178.80 2bd0 h ALA 214 N 0.24 1.03 -0.01 1.87 0.00 -1.19 -3.13 119.26 118.07 2bd0 h ALA 214 Ca -0.29 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.52 2bd0 h ALA 214 Cb 2.09 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2bd0 h ALA 214 CO 0.20 0.55 -0.37 0.00 0.00 0.00 0.00 179.25 179.62 2bd0 h ALA 215 N 1.23 -0.57 -0.22 0.00 0.00 -1.58 -1.90 119.26 116.23 2bd0 h ALA 215 Ca 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2bd0 h ALA 215 Cb 0.04 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2bd0 h ALA 215 CO -0.04 -0.90 -0.00 -1.35 0.00 0.00 0.00 179.25 176.96 2bd0 h PRO 216 N -0.52 0.32 0.02 0.00 0.11 -1.75 -1.27 132.00 128.90 2bd0 h PRO 216 Ca 0.06 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 2bd0 h PRO 216 Cb 0.61 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2bd0 h PRO 216 CO -0.30 0.35 -0.01 0.28 -0.21 0.00 0.00 178.00 178.11 2bd0 h VAL 217 N 0.31 1.10 -0.59 3.15 2.07 -1.39 -0.55 116.25 120.35 2bd0 h VAL 217 Ca 0.07 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2bd0 h VAL 217 Cb 0.22 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2bd0 h VAL 217 CO 0.00 0.09 0.09 0.58 0.02 0.00 0.00 177.57 178.35 2bd0 h VAL 218 N -0.18 1.26 -0.78 2.57 2.07 -1.09 -2.38 116.25 117.71 2bd0 h VAL 218 Ca -0.00 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.52 2bd0 h VAL 218 Cb 0.17 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2bd0 h VAL 218 CO 0.00 0.37 0.52 1.56 0.02 0.00 0.00 177.57 180.04 2bd0 h GLN 219 N 0.89 1.02 -0.34 1.57 1.08 -1.13 -1.49 115.11 116.72 2bd0 h GLN 219 Ca 0.18 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 2bd0 h GLN 219 Cb 0.44 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2bd0 h GLN 219 CO 0.01 0.68 -0.13 0.00 -0.95 0.00 0.00 178.83 178.44 2bd0 h ALA 220 N 1.51 1.13 -0.16 3.87 0.00 -0.68 -2.54 119.26 122.40 2bd0 h ALA 220 Ca 0.29 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2bd0 h ALA 220 Cb -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2bd0 h ALA 220 CO -0.06 0.54 -0.55 -0.92 0.00 0.00 0.00 179.25 178.26 2bd0 h TYR 221 N 0.55 0.59 0.00 0.00 3.20 -0.87 -3.05 116.97 117.38 2bd0 h TYR 221 Ca 0.10 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2bd0 h TYR 221 Cb 0.55 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2bd0 h TYR 221 CO 0.02 0.91 0.00 1.28 -1.64 0.00 0.00 178.16 178.73 2bd0 n LEU 222 N -3.95 0.00 -4.73 2.82 4.77 -0.63 -4.83 117.00 110.45 2bd0 n LEU 222 Ca -0.03 0.35 -0.35 0.00 -0.03 0.00 0.00 56.01 55.95 2bd0 n LEU 222 Cb 0.60 -0.35 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 2bd0 n LEU 222 CO 0.46 -0.07 0.82 -1.10 -1.33 0.00 0.00 177.39 176.16 2bd0 s GLN 223 N -2.70 2.37 0.64 3.23 -1.52 -1.02 -4.94 119.66 115.73 2bd0 s GLN 223 Ca 0.19 1.80 -0.18 0.00 -1.95 0.00 0.00 55.36 55.22 2bd0 s GLN 223 Cb 0.16 -1.86 -0.01 0.00 -0.22 0.00 0.00 33.01 31.08 2bd0 s GLN 223 CO 0.38 -1.66 1.25 -1.25 -0.25 0.00 0.00 175.29 173.76 2bd0 s PRO 224 N -3.74 2.63 0.62 2.91 0.04 -1.26 -4.85 135.00 131.35 2bd0 s PRO 224 Ca 0.76 1.94 0.29 0.00 0.04 0.00 0.00 61.00 64.03 2bd0 s PRO 224 Cb -0.30 -1.87 1.51 0.00 0.04 0.00 0.00 34.50 33.88 2bd0 s PRO 224 CO 0.42 -1.50 1.89 0.66 0.04 0.00 0.00 177.00 178.51 2bd0 h SER 225 N 0.54 0.00 0.70 6.66 4.64 -1.93 -1.17 113.55 122.99 2bd0 h SER 225 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2bd0 h SER 225 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2bd0 h SER 225 CO 0.53 0.00 -0.03 0.08 -0.87 0.00 0.00 176.83 176.54 2bd0 h ARG 226 N 0.00 0.00 -5.92 4.77 0.11 -2.01 -3.44 114.38 107.90 2bd0 h ARG 226 Ca 0.12 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.52 2bd0 h ARG 226 Cb 0.96 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.73 2bd0 h ARG 226 CO -0.00 0.03 -0.88 0.99 0.10 0.00 0.00 179.97 180.21 2bd0 s THR 227 N -3.84 1.98 -0.12 0.08 2.01 -0.44 -5.12 115.64 110.19 2bd0 s THR 227 Ca -0.01 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.00 2bd0 s THR 227 Cb 0.10 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.94 2bd0 s THR 227 CO 0.52 0.55 -0.21 0.54 -0.69 0.00 0.00 174.62 175.33 2bd0 s VAL 228 N -0.13 1.93 -0.68 3.82 0.11 -1.26 -4.69 120.40 119.50 2bd0 s VAL 228 Ca -0.04 -0.92 -0.24 0.00 -2.93 0.00 0.00 61.98 57.84 2bd0 s VAL 228 Cb -0.14 -1.70 0.05 0.00 -1.53 0.00 0.00 36.38 33.07 2bd0 s VAL 228 CO 0.04 0.53 1.09 -0.69 -3.33 0.00 0.00 175.10 172.73 2bd0 s VAL 229 N 0.64 4.10 0.16 2.04 1.01 -1.26 -4.87 120.40 122.21 2bd0 s VAL 229 Ca -0.12 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 2bd0 s VAL 229 Cb -0.16 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 2bd0 s VAL 229 CO 0.03 -1.58 1.50 -0.33 0.00 0.00 0.00 175.10 174.72 2bd0 h GLU 230 N 9.72 0.91 -3.51 2.72 5.08 -1.96 -3.39 114.58 124.16 2bd0 h GLU 230 Ca -0.28 -0.46 -0.18 0.00 -1.00 0.00 0.00 59.36 57.43 2bd0 h GLU 230 Cb 1.06 0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.07 2bd0 h GLU 230 CO 1.21 1.11 -0.57 -1.21 -1.00 0.00 0.00 179.01 178.55 2bd0 s GLU 231 N -4.44 0.23 -0.09 2.33 2.02 -1.26 -0.30 118.70 117.19 2bd0 s GLU 231 Ca -0.11 -0.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 2bd0 s GLU 231 Cb 0.12 0.10 0.04 0.00 0.10 0.00 0.00 34.13 34.48 2bd0 s GLU 231 CO 0.87 -0.04 0.03 0.42 0.02 0.00 0.00 175.26 176.56 2bd0 s ILE 232 N -0.39 0.21 -0.18 -1.63 1.01 -0.79 -4.95 121.20 114.48 2bd0 s ILE 232 Ca -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 2bd0 s ILE 232 Cb -0.03 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 2bd0 s ILE 232 CO 0.00 0.13 -0.04 -0.63 0.00 0.00 0.00 174.94 174.40 2bd0 s ILE 233 N 2.03 3.60 0.00 2.92 1.09 -1.26 -0.65 121.20 128.93 2bd0 s ILE 233 Ca 0.04 -0.44 0.06 0.00 -1.10 0.00 0.00 60.65 59.21 2bd0 s ILE 233 Cb -0.13 -2.60 -0.02 0.00 -1.06 0.00 0.00 42.46 38.65 2bd0 s ILE 233 CO -0.05 0.46 -0.18 -0.76 -0.10 0.00 0.00 174.94 174.31 2bd0 s LEU 234 N 0.90 2.08 0.15 2.97 1.02 -0.76 -4.99 118.68 120.04 2bd0 s LEU 234 Ca -0.01 -0.37 -0.08 0.00 0.02 0.00 0.00 54.13 53.70 2bd0 s LEU 234 Cb -0.15 -0.87 -0.01 0.00 0.02 0.00 0.00 46.19 45.18 2bd0 s LEU 234 CO 0.01 0.18 0.24 -0.13 0.02 0.00 0.00 176.35 176.67 2bd0 s ARG 235 N -0.64 1.08 0.53 1.70 0.52 -1.26 -0.26 118.95 120.61 2bd0 s ARG 235 Ca 0.06 -1.17 -0.21 0.00 -0.52 0.00 0.00 55.73 53.89 2bd0 s ARG 235 Cb -0.07 0.35 -0.06 0.00 0.52 0.00 0.00 34.95 35.70 2bd0 s ARG 235 CO 0.00 -0.38 1.18 -2.14 0.02 0.00 0.00 175.30 173.98 2bd0 s PRO 236 N -3.96 3.37 0.50 3.54 0.02 -1.26 -4.87 135.00 132.34 2bd0 s PRO 236 Ca 0.16 1.77 0.19 0.00 0.02 0.00 0.00 61.00 63.14 2bd0 s PRO 236 Cb 0.04 -2.14 1.26 0.00 0.02 0.00 0.00 34.50 33.68 2bd0 s PRO 236 CO -0.01 -0.87 2.05 1.15 -0.33 0.00 0.00 177.00 178.98 2bd0 h THR 237 N 1.36 0.87 -0.05 0.99 2.02 -1.96 0.08 112.91 116.22 2bd0 h THR 237 Ca -0.50 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2bd0 h THR 237 Cb 1.27 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2bd0 h THR 237 CO 0.58 0.02 0.00 -1.54 0.37 0.00 0.00 175.52 174.95 2bd0 n SER 238 N -4.45 0.66 0.00 4.18 3.41 -1.26 -5.03 113.62 111.12 2bd0 n SER 238 Ca 0.05 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2bd0 n SER 238 Cb 0.36 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2bd0 n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bd0 n GLY 239 N 0.97 -2.45 3.76 5.00 0.00 0.01 -4.95 105.19 107.53 2bd0 n GLY 239 Ca 0.17 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 2bd0 n GLY 239 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bd0 s ASP 240 N -2.87 5.80 0.00 1.61 1.01 -1.26 -4.39 116.67 116.56 2bd0 s ASP 240 Ca 0.00 2.49 0.29 0.00 0.71 0.00 0.00 52.55 56.03 2bd0 s ASP 240 Cb 0.00 -2.62 1.18 0.00 1.01 0.00 0.00 42.92 42.49 2bd0 s ASP 240 CO 0.00 -1.19 1.82 2.30 0.21 0.00 0.00 175.17 178.31