#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 3.10 -0.39 2.13 3.76 -0.01 -4.99 115.29 118.89 2bd0 s HIS 3 Ca 0.00 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.61 2bd0 s HIS 3 Cb 0.00 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.72 2bd0 s HIS 3 CO 0.00 0.04 0.27 0.42 -0.85 0.00 0.00 174.74 174.62 2bd0 s ILE 4 N 0.31 5.14 -0.10 0.60 -1.09 -1.26 -0.09 121.20 124.70 2bd0 s ILE 4 Ca -0.01 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 2bd0 s ILE 4 Cb -0.13 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2bd0 s ILE 4 CO 0.02 -0.22 -0.23 -0.76 -1.23 0.00 0.00 174.94 172.51 2bd0 s LEU 5 N 1.67 2.12 -0.20 2.97 1.02 -0.79 -0.71 118.68 124.75 2bd0 s LEU 5 Ca 0.05 -0.55 -0.05 0.00 0.02 0.00 0.00 54.13 53.59 2bd0 s LEU 5 Cb -0.19 -1.42 -0.02 0.00 0.02 0.00 0.00 46.19 44.58 2bd0 s LEU 5 CO 0.09 0.15 -0.00 -0.22 0.02 0.00 0.00 176.35 176.40 2bd0 s LEU 6 N 0.38 3.25 -0.22 1.79 2.96 0.26 -0.17 118.68 126.94 2bd0 s LEU 6 Ca -0.18 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2bd0 s LEU 6 Cb -0.18 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.73 2bd0 s LEU 6 CO 0.08 0.07 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.41 2bd0 s ILE 7 N 0.98 2.02 0.36 6.68 1.09 -0.25 -0.69 121.20 131.38 2bd0 s ILE 7 Ca 0.01 -1.27 -0.14 0.00 -1.10 0.00 0.00 60.65 58.15 2bd0 s ILE 7 Cb -0.14 -2.02 -0.08 0.00 -1.06 0.00 0.00 42.46 39.15 2bd0 s ILE 7 CO 0.02 0.20 0.76 0.42 -0.10 0.00 0.00 174.94 176.24 2bd0 s THR 8 N 1.23 4.69 -1.23 2.92 -4.23 -0.96 -1.77 115.64 116.28 2bd0 s THR 8 Ca -0.03 0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 2bd0 s THR 8 Cb -0.17 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2bd0 s THR 8 CO -0.08 -0.30 0.51 0.61 -0.54 0.00 0.00 174.62 174.81 2bd0 n GLY 9 N -0.69 -0.27 0.00 3.99 0.00 0.84 -3.05 105.19 106.01 2bd0 n GLY 9 Ca 0.03 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.25 2.16 0.16 4.61 0.00 -0.39 -3.78 120.51 120.02 2bd0 n ALA 10 Ca -0.09 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2bd0 n ALA 10 Cb 0.59 -1.40 0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 4.24 0.00 -2.54 0.00 0.00 -1.86 -3.12 103.07 99.80 2bd0 h GLY 11 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2bd0 h GLY 11 CO 0.00 0.00 -0.62 0.54 0.00 0.00 0.00 176.54 176.46 2bd0 s LYS 12 N -3.07 1.24 0.00 4.80 1.02 -1.25 -4.82 119.74 117.66 2bd0 s LYS 12 Ca 0.04 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.38 2bd0 s LYS 12 Cb 0.07 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 2bd0 s LYS 12 CO 0.72 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 2bd0 n GLY 13 N -0.32 2.19 0.18 -3.33 0.00 -1.26 -1.95 105.19 100.70 2bd0 n GLY 13 Ca -0.00 0.14 -0.07 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 1.06 -0.56 -0.61 1.08 -1.89 -1.63 117.51 114.96 2bd0 h ILE 14 Ca 0.00 -0.18 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 2bd0 h ILE 14 Cb 0.00 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 2bd0 h ILE 14 CO 0.00 0.10 0.32 1.23 -0.69 0.00 0.00 178.15 179.11 2bd0 h GLY 15 N 0.53 0.80 1.01 5.37 0.00 -1.61 -0.36 103.07 108.80 2bd0 h GLY 15 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2bd0 h GLY 15 CO -0.07 0.18 0.42 -0.09 0.00 0.00 0.00 176.54 176.98 2bd0 h ARG 16 N 0.62 0.99 -0.47 4.80 2.43 -1.13 -1.84 114.38 119.79 2bd0 h ARG 16 Ca 0.23 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2bd0 h ARG 16 Cb 0.08 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2bd0 h ARG 16 CO -0.13 0.72 0.00 0.00 -1.51 0.00 0.00 179.97 179.06 2bd0 h ALA 17 N 1.22 1.11 -0.37 2.80 0.00 -0.63 -2.10 119.26 121.29 2bd0 h ALA 17 Ca 0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2bd0 h ALA 17 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2bd0 h ALA 17 CO -0.05 0.57 0.02 0.82 0.00 0.00 0.00 179.25 180.61 2bd0 h ILE 18 N 0.73 1.25 -0.12 0.00 5.03 -0.71 -1.09 117.51 122.60 2bd0 h ILE 18 Ca 0.14 -0.95 0.02 0.00 -0.12 0.00 0.00 64.86 63.96 2bd0 h ILE 18 Cb 0.44 1.14 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 2bd0 h ILE 18 CO 0.02 0.32 -0.01 0.00 -0.68 0.00 0.00 178.15 177.80 2bd0 h ALA 19 N 0.88 0.10 -0.68 1.87 0.00 -1.11 -1.34 119.26 118.98 2bd0 h ALA 19 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2bd0 h ALA 19 Cb 0.43 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2bd0 h ALA 19 CO 0.02 -0.46 0.36 1.25 0.00 0.00 0.00 179.25 180.41 2bd0 h LEU 20 N 0.03 0.87 -1.03 0.00 5.85 -1.29 -2.20 115.31 117.53 2bd0 h LEU 20 Ca 0.06 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2bd0 h LEU 20 Cb 0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2bd0 h LEU 20 CO -0.10 0.73 0.11 -0.08 -0.34 0.00 0.00 178.44 178.75 2bd0 h GLU 21 N 0.94 0.80 -0.50 1.25 4.57 -0.93 -0.16 114.58 120.55 2bd0 h GLU 21 Ca 0.24 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2bd0 h GLU 21 Cb 0.07 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2bd0 h GLU 21 CO -0.03 0.74 0.02 0.74 -1.18 0.00 0.00 179.01 179.29 2bd0 h PHE 22 N 0.77 0.94 -0.50 0.92 0.04 -0.96 0.11 116.94 118.27 2bd0 h PHE 22 Ca 0.17 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2bd0 h PHE 22 Cb 0.31 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2bd0 h PHE 22 CO 0.02 0.88 0.29 0.00 -0.60 0.00 0.00 178.31 178.90 2bd0 h ALA 23 N 0.94 0.64 -0.13 2.45 0.00 -0.88 -2.80 119.26 119.48 2bd0 h ALA 23 Ca 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2bd0 h ALA 23 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2bd0 h ALA 23 CO 0.02 0.14 -0.40 0.00 0.00 0.00 0.00 179.25 179.01 2bd0 h ARG 24 N 0.67 0.28 0.00 0.00 3.08 -0.82 -3.09 114.38 114.50 2bd0 h ARG 24 Ca 0.18 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2bd0 h ARG 24 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2bd0 h ARG 24 CO -0.03 0.65 -0.25 0.00 -1.07 0.00 0.00 179.97 179.26 2bd0 h ALA 25 N 1.34 1.56 0.00 0.04 0.00 -0.71 -2.68 119.26 118.80 2bd0 h ALA 25 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2bd0 h ALA 25 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2bd0 h ALA 25 CO 0.06 0.32 0.02 0.00 0.00 0.00 0.00 179.25 179.65 2bd0 h ALA 26 N 1.75 1.02 -0.14 0.00 0.00 -1.43 -2.22 119.26 118.22 2bd0 h ALA 26 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2bd0 h ALA 26 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2bd0 h ALA 26 CO 0.03 -0.02 -0.35 -0.09 0.00 0.00 0.00 179.25 178.83 2bd0 h ARG 27 N 0.00 0.29 -0.01 0.00 2.43 -1.66 -3.01 114.38 112.42 2bd0 h ARG 27 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2bd0 h ARG 27 Cb 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2bd0 h ARG 27 CO 0.00 0.61 -0.38 0.72 -1.51 0.00 0.00 179.97 179.41 2bd0 n HIS 28 N -4.07 0.00 -3.77 2.20 8.25 -0.84 -4.63 115.22 112.35 2bd0 n HIS 28 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 2bd0 n HIS 28 Cb 0.44 -0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.38 2bd0 n HIS 28 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2bd0 s HIS 29 N -2.46 2.49 0.62 4.41 3.76 -1.14 -4.98 115.29 117.99 2bd0 s HIS 29 Ca 0.21 -2.77 0.30 0.00 -0.15 0.00 0.00 55.06 52.65 2bd0 s HIS 29 Cb 0.19 -2.17 1.64 0.00 1.11 0.00 0.00 32.58 33.35 2bd0 s HIS 29 CO 0.54 -0.73 2.00 -1.00 -0.85 0.00 0.00 174.74 174.70 2bd0 h PRO 30 N 6.30 0.00 -0.24 8.40 0.13 -1.82 0.71 132.00 145.47 2bd0 h PRO 30 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2bd0 h PRO 30 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2bd0 h PRO 30 CO 0.57 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 2bd0 n ASP 31 N -3.46 2.73 -4.28 1.44 5.75 -1.26 -4.77 116.55 112.69 2bd0 n ASP 31 Ca 0.02 -1.88 -0.42 0.00 -0.01 0.00 0.00 54.79 52.50 2bd0 n ASP 31 Cb 0.43 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.28 2bd0 n ASP 31 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bd0 s PHE 32 N -1.70 3.33 -0.48 2.11 5.36 0.24 -4.86 117.98 121.99 2bd0 s PHE 32 Ca 0.35 -1.48 -0.00 0.00 -0.96 0.00 0.00 56.93 54.84 2bd0 s PHE 32 Cb 0.21 -3.26 0.13 0.00 -0.34 0.00 0.00 43.02 39.75 2bd0 s PHE 32 CO 0.30 -0.90 0.25 -2.00 -1.46 0.00 0.00 175.22 171.40 2bd0 s GLU 33 N 1.47 2.05 0.16 10.12 2.56 -1.26 -4.72 118.70 129.07 2bd0 s GLU 33 Ca 0.04 -2.19 -0.23 0.00 0.00 0.00 0.00 54.97 52.59 2bd0 s GLU 33 Cb -0.25 -3.50 -0.08 0.00 2.00 0.00 0.00 34.13 32.31 2bd0 s GLU 33 CO 0.02 -1.08 0.72 -1.25 -0.56 0.00 0.00 175.26 173.12 2bd0 s PRO 34 N 0.48 4.44 -0.37 4.30 0.04 -1.26 -0.83 135.00 141.79 2bd0 s PRO 34 Ca 0.13 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 2bd0 s PRO 34 Cb -0.22 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.20 2bd0 s PRO 34 CO -0.04 0.56 0.14 0.08 0.04 0.00 0.00 177.00 177.78 2bd0 s VAL 35 N -1.21 3.66 -0.53 -0.36 1.01 0.87 -3.07 120.40 120.77 2bd0 s VAL 35 Ca 0.36 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 2bd0 s VAL 35 Cb -0.21 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.01 2bd0 s VAL 35 CO 0.24 -0.35 0.86 -0.76 0.00 0.00 0.00 175.10 175.09 2bd0 s LEU 36 N 1.33 4.30 -0.44 3.92 1.43 0.48 -1.89 118.68 127.81 2bd0 s LEU 36 Ca 0.01 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 2bd0 s LEU 36 Cb -0.21 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.28 2bd0 s LEU 36 CO 0.01 -1.13 0.74 -0.69 0.23 0.00 0.00 176.35 175.50 2bd0 s VAL 37 N 3.61 4.71 -0.18 -1.59 1.01 0.76 -0.85 120.40 127.87 2bd0 s VAL 37 Ca 0.27 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 2bd0 s VAL 37 Cb -0.14 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2bd0 s VAL 37 CO 0.18 -0.67 0.07 -0.76 0.00 0.00 0.00 175.10 173.91 2bd0 s LEU 38 N 3.13 3.85 0.04 3.92 1.43 0.72 -1.09 118.68 130.69 2bd0 s LEU 38 Ca 0.27 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2bd0 s LEU 38 Cb -0.13 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2bd0 s LEU 38 CO 0.21 0.18 -0.07 -0.55 0.23 0.00 0.00 176.35 176.35 2bd0 s SER 39 N 0.32 0.81 0.01 2.29 0.15 -0.73 -1.45 113.70 115.10 2bd0 s SER 39 Ca 0.04 -0.54 -0.25 0.00 0.70 0.00 0.00 55.95 55.89 2bd0 s SER 39 Cb -0.12 0.04 0.08 0.00 -1.71 0.00 0.00 66.02 64.31 2bd0 s SER 39 CO -0.00 -0.21 1.14 -1.54 1.20 0.00 0.00 173.24 173.83 2bd0 n SER 40 N 1.48 -1.16 0.02 5.45 3.41 -1.24 -0.11 113.62 121.47 2bd0 n SER 40 Ca -0.23 -1.31 0.13 0.00 -0.26 0.00 0.00 58.87 57.20 2bd0 n SER 40 Cb 0.55 1.82 0.36 0.00 -0.26 0.00 0.00 64.21 66.67 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 -0.82 0.07 -3.94 4.33 1.74 -1.23 -0.90 116.66 115.91 2bd0 n ARG 41 Ca 0.03 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 2bd0 n ARG 41 Cb 0.53 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.28 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 -3.04 2.74 0.33 0.55 2.01 -1.26 -4.82 115.64 112.15 2bd0 s THR 42 Ca 0.11 -1.69 0.05 0.00 0.31 0.00 0.00 61.69 60.47 2bd0 s THR 42 Cb 0.17 -2.69 0.30 0.00 0.01 0.00 0.00 72.50 70.29 2bd0 s THR 42 CO 0.64 -0.25 1.86 0.00 -0.69 0.00 0.00 174.62 176.18 2bd0 h ALA 43 N 7.89 1.69 -0.92 7.40 0.00 -1.97 -1.67 119.26 131.68 2bd0 h ALA 43 Ca -0.17 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2bd0 h ALA 43 Cb 1.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2bd0 h ALA 43 CO 0.54 0.08 0.60 0.00 0.00 0.00 0.00 179.25 180.47 2bd0 h ALA 44 N 1.57 1.21 -0.54 0.00 0.00 -2.00 -1.46 119.26 118.04 2bd0 h ALA 44 Ca 0.46 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 2bd0 h ALA 44 Cb 0.58 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2bd0 h ALA 44 CO -0.22 0.48 -0.12 -0.44 0.00 0.00 0.00 179.25 178.95 2bd0 h ASP 45 N 1.18 1.04 -0.76 0.00 3.32 -1.66 -2.90 116.42 116.63 2bd0 h ASP 45 Ca 0.36 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2bd0 h ASP 45 Cb -0.02 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2bd0 h ASP 45 CO -0.11 1.15 0.27 -0.07 -1.72 0.00 0.00 179.24 178.76 2bd0 h LEU 46 N 0.91 1.08 -0.61 1.55 3.38 -1.09 -1.66 115.31 118.87 2bd0 h LEU 46 Ca 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2bd0 h LEU 46 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2bd0 h LEU 46 CO 0.05 0.98 0.25 -0.33 0.09 0.00 0.00 178.44 179.48 2bd0 h GLU 47 N 1.12 0.90 0.41 1.13 5.08 -1.23 0.46 114.58 122.46 2bd0 h GLU 47 Ca 0.25 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2bd0 h GLU 47 Cb 0.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2bd0 h GLU 47 CO -0.01 0.76 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.34 2bd0 h LYS 48 N 0.84 -0.52 -0.19 2.33 3.64 -1.27 -1.50 116.57 119.89 2bd0 h LYS 48 Ca 0.20 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 2bd0 h LYS 48 Cb 0.19 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2bd0 h LYS 48 CO -0.02 -0.31 -0.24 0.97 -2.27 0.00 0.00 179.45 177.58 2bd0 h ILE 49 N -0.61 1.25 -0.34 2.00 6.09 -1.27 -2.36 117.51 122.26 2bd0 h ILE 49 Ca -0.06 -1.16 0.01 0.00 -1.37 0.00 0.00 64.86 62.29 2bd0 h ILE 49 Cb 0.45 1.36 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 2bd0 h ILE 49 CO 0.09 0.36 0.21 -1.28 -3.07 0.00 0.00 178.15 174.47 2bd0 h SER 50 N 0.31 0.36 -0.47 2.19 0.87 -0.74 -0.86 113.55 115.22 2bd0 h SER 50 Ca 0.05 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2bd0 h SER 50 Cb 0.59 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2bd0 h SER 50 CO 0.04 0.26 0.22 -0.07 -0.53 0.00 0.00 176.83 176.75 2bd0 h LEU 51 N 0.44 0.62 -1.27 2.23 3.38 -0.99 -0.74 115.31 118.99 2bd0 h LEU 51 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2bd0 h LEU 51 Cb -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2bd0 h LEU 51 CO -0.04 0.59 0.36 -0.33 0.09 0.00 0.00 178.44 179.11 2bd0 h GLU 52 N 0.62 0.86 -0.19 1.13 5.08 -1.12 -0.51 114.58 120.45 2bd0 h GLU 52 Ca 0.16 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 2bd0 h GLU 52 Cb 0.14 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2bd0 h GLU 52 CO -0.02 0.62 -0.69 0.00 -1.00 0.00 0.00 179.01 177.92 2bd0 h ARG 54 N 0.55 0.00 0.00 0.00 3.08 -0.77 -0.93 114.38 116.31 2bd0 h ARG 54 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2bd0 h ARG 54 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 2bd0 h ARG 54 CO 0.15 0.30 -0.02 0.00 -1.07 0.00 0.00 179.97 179.33 2bd0 h ALA 55 N 1.70 1.01 -0.02 0.04 0.00 -0.97 -0.66 119.26 120.36 2bd0 h ALA 55 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bd0 h ALA 55 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2bd0 h ALA 55 CO 0.04 0.03 -0.03 0.39 0.00 0.00 0.00 179.25 179.68 2bd0 n GLU 56 N -3.13 1.70 -0.41 0.00 -0.58 -0.40 -4.93 120.64 112.88 2bd0 n GLU 56 Ca -0.00 -1.08 0.00 0.00 -0.42 0.00 0.00 57.16 55.66 2bd0 n GLU 56 Cb 0.28 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.22 0.76 3.85 0.62 0.00 -0.25 -4.76 105.19 106.61 2bd0 n GLY 57 Ca 0.18 -0.35 -0.30 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 3.78 0.13 4.61 0.00 -0.91 -5.00 121.76 122.36 2bd0 s ALA 58 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 2bd0 s ALA 58 Cb 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 2bd0 s ALA 58 CO 0.00 0.75 0.76 -0.51 0.00 0.00 0.00 175.76 176.76 2bd0 s LEU 59 N -2.56 4.55 0.20 0.00 1.43 -1.17 -3.90 118.68 117.23 2bd0 s LEU 59 Ca 0.32 1.57 0.04 0.00 -1.03 0.00 0.00 54.13 55.03 2bd0 s LEU 59 Cb -0.12 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 2bd0 s LEU 59 CO 0.25 0.16 -0.05 0.42 0.23 0.00 0.00 176.35 177.35 2bd0 s THR 60 N -0.83 1.18 -0.24 5.49 -4.23 -1.26 -0.39 115.64 115.36 2bd0 s THR 60 Ca 0.36 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.75 2bd0 s THR 60 Cb -0.22 -2.15 0.12 0.00 1.34 0.00 0.00 72.50 71.59 2bd0 s THR 60 CO 0.25 -0.50 0.47 -0.62 -0.54 0.00 0.00 174.62 173.68 2bd0 s ASP 61 N -3.27 -0.42 -0.04 3.99 2.15 -0.03 -4.86 116.67 114.19 2bd0 s ASP 61 Ca 0.24 0.89 -0.04 0.00 0.43 0.00 0.00 52.55 54.07 2bd0 s ASP 61 Cb 0.04 1.55 -0.04 0.00 -0.30 0.00 0.00 42.92 44.17 2bd0 s ASP 61 CO 0.06 -0.25 0.18 0.42 -0.17 0.00 0.00 175.17 175.41 2bd0 s THR 62 N 2.68 5.44 -0.17 1.71 -4.23 -1.26 -0.20 115.64 119.61 2bd0 s THR 62 Ca 0.04 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.47 2bd0 s THR 62 Cb -0.13 -3.50 0.08 0.00 1.34 0.00 0.00 72.50 70.29 2bd0 s THR 62 CO -0.16 0.41 0.35 -0.51 -0.54 0.00 0.00 174.62 174.18 2bd0 s ILE 63 N -1.24 -0.55 -0.10 2.99 1.10 -0.53 -4.94 121.20 117.94 2bd0 s ILE 63 Ca 0.24 0.20 -0.28 0.00 -0.51 0.00 0.00 60.65 60.31 2bd0 s ILE 63 Cb -0.13 -0.58 -0.02 0.00 0.15 0.00 0.00 42.46 41.89 2bd0 s ILE 63 CO 0.14 0.08 0.91 -0.89 -2.11 0.00 0.00 174.94 173.07 2bd0 s THR 64 N 2.53 4.87 -0.23 4.00 2.01 -1.26 -3.62 115.64 123.93 2bd0 s THR 64 Ca 0.00 1.84 -0.26 0.00 0.31 0.00 0.00 61.69 63.58 2bd0 s THR 64 Cb -0.12 -4.22 0.07 0.00 0.01 0.00 0.00 72.50 68.23 2bd0 s THR 64 CO -0.11 0.08 0.71 0.00 -0.69 0.00 0.00 174.62 174.61 2bd0 s ALA 65 N 1.67 -1.78 -0.38 7.40 0.00 -0.08 -4.94 121.76 123.65 2bd0 s ALA 65 Ca 0.45 1.90 -0.09 0.00 0.00 0.00 0.00 51.96 54.22 2bd0 s ALA 65 Cb -0.18 -0.96 0.06 0.00 0.00 0.00 0.00 23.12 22.03 2bd0 s ALA 65 CO 0.18 -0.35 0.20 0.34 0.00 0.00 0.00 175.76 176.14 2bd0 s ASP 66 N 0.09 5.55 0.00 0.00 -1.08 -1.26 -3.55 116.67 116.42 2bd0 s ASP 66 Ca -0.02 -1.30 0.13 0.00 -0.52 0.00 0.00 52.55 50.84 2bd0 s ASP 66 Cb -0.04 -1.96 0.67 0.00 -1.46 0.00 0.00 42.92 40.13 2bd0 s ASP 66 CO 0.03 -0.44 1.31 2.30 0.52 0.00 0.00 175.17 178.89 2bd0 n ILE 67 N 4.89 0.57 0.94 4.11 -0.00 -1.26 -1.35 119.36 127.26 2bd0 n ILE 67 Ca -0.11 0.14 0.13 0.00 -0.00 0.00 0.00 62.75 62.92 2bd0 n ILE 67 Cb 0.44 -0.93 0.47 0.00 -0.00 0.00 0.00 39.64 39.61 2bd0 n ILE 67 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2bd0 n SER 68 N -1.25 0.27 -4.44 7.28 3.41 -1.26 -3.83 113.62 113.79 2bd0 n SER 68 Ca 0.07 0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 58.55 2bd0 n SER 68 Cb 0.09 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.66 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 -3.23 5.80 0.48 4.04 3.68 -0.46 -4.89 116.67 122.10 2bd0 s ASP 69 Ca 0.12 -0.70 0.18 0.00 2.13 0.00 0.00 52.55 54.28 2bd0 s ASP 69 Cb 0.18 -2.06 1.20 0.00 -1.45 0.00 0.00 42.92 40.78 2bd0 s ASP 69 CO 0.60 -0.30 2.01 0.24 0.13 0.00 0.00 175.17 177.85 2bd0 h MET 70 N 8.45 0.19 -0.75 4.34 2.86 -1.83 -0.62 114.93 127.56 2bd0 h MET 70 Ca -0.29 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 2bd0 h MET 70 Cb 1.13 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 2bd0 h MET 70 CO 0.65 0.13 0.34 0.00 1.06 0.00 0.00 176.91 179.09 2bd0 h ALA 71 N 1.76 1.19 -0.11 6.32 0.00 -1.93 -0.79 119.26 125.71 2bd0 h ALA 71 Ca 0.23 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2bd0 h ALA 71 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bd0 h ALA 71 CO -0.04 0.61 -0.63 -0.44 0.00 0.00 0.00 179.25 178.75 2bd0 h ASP 72 N 1.07 0.45 -0.83 0.00 5.19 -1.38 -1.68 116.42 119.25 2bd0 h ASP 72 Ca 0.26 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2bd0 h ASP 72 Cb 0.14 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.48 2bd0 h ASP 72 CO -0.03 0.97 0.40 0.58 -3.12 0.00 0.00 179.24 178.03 2bd0 h VAL 73 N 0.29 1.26 -0.16 -1.35 2.07 -0.84 0.12 116.25 117.63 2bd0 h VAL 73 Ca -0.01 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2bd0 h VAL 73 Cb 1.17 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2bd0 h VAL 73 CO 0.11 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 177.99 2bd0 h ARG 74 N 1.18 0.24 -0.34 1.57 2.43 -0.90 -1.02 114.38 117.54 2bd0 h ARG 74 Ca 0.28 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 2bd0 h ARG 74 Cb 0.13 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2bd0 h ARG 74 CO -0.04 0.29 -0.17 0.00 -1.51 0.00 0.00 179.97 178.54 2bd0 h ARG 75 N 0.13 0.62 -0.16 0.20 3.08 -0.98 0.95 114.38 118.23 2bd0 h ARG 75 Ca 0.06 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2bd0 h ARG 75 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2bd0 h ARG 75 CO -0.01 0.76 0.03 1.25 -1.07 0.00 0.00 179.97 180.94 2bd0 h LEU 76 N 0.56 0.25 -0.55 3.04 6.46 -0.64 0.11 115.31 124.54 2bd0 h LEU 76 Ca 0.09 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2bd0 h LEU 76 Cb 0.61 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 2bd0 h LEU 76 CO 0.04 0.43 0.29 0.74 -0.62 0.00 0.00 178.44 179.33 2bd0 h THR 77 N 0.05 1.19 -0.82 1.05 2.02 -0.96 -2.34 112.91 113.10 2bd0 h THR 77 Ca 0.05 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.76 2bd0 h THR 77 Cb 0.29 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 2bd0 h THR 77 CO 0.00 0.21 0.53 0.74 0.37 0.00 0.00 175.52 177.37 2bd0 h THR 78 N 0.74 1.15 -0.03 3.16 2.02 -0.60 -1.73 112.91 117.62 2bd0 h THR 78 Ca 0.19 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2bd0 h THR 78 Cb 0.07 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 2bd0 h THR 78 CO -0.03 0.19 -0.15 -0.74 0.37 0.00 0.00 175.52 175.16 2bd0 h HIS 79 N 1.05 -0.38 -0.42 3.16 6.17 -0.47 0.78 115.15 125.04 2bd0 h HIS 79 Ca 0.32 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.44 2bd0 h HIS 79 Cb -0.03 0.18 -0.03 0.00 2.52 0.00 0.00 27.41 30.05 2bd0 h HIS 79 CO -0.02 -0.22 0.23 0.82 0.71 0.00 0.00 177.93 179.44 2bd0 h ILE 80 N -0.23 1.00 -0.35 6.26 1.08 -1.05 0.15 117.51 124.37 2bd0 h ILE 80 Ca 0.06 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2bd0 h ILE 80 Cb 0.31 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2bd0 h ILE 80 CO -0.17 0.08 0.13 0.58 -0.69 0.00 0.00 178.15 178.08 2bd0 h VAL 81 N 0.46 1.20 0.03 1.67 2.07 -0.97 0.33 116.25 121.03 2bd0 h VAL 81 Ca 0.17 -0.63 -0.19 0.00 0.82 0.00 0.00 66.70 66.88 2bd0 h VAL 81 Cb 0.05 0.95 0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2bd0 h VAL 81 CO -0.10 0.22 -0.77 -0.33 0.02 0.00 0.00 177.57 176.60 2bd0 h GLU 82 N 0.42 0.48 0.09 1.57 4.39 -0.71 -1.17 114.58 119.65 2bd0 h GLU 82 Ca 0.12 -0.55 -0.27 0.00 0.34 0.00 0.00 59.36 59.00 2bd0 h GLU 82 Cb 0.22 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2bd0 h GLU 82 CO -0.01 1.19 -1.16 -0.09 -1.16 0.00 0.00 179.01 177.78 2bd0 h ARG 83 N 0.00 0.40 0.00 2.33 9.65 -0.78 -3.41 114.38 122.58 2bd0 h ARG 83 Ca -0.10 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 58.22 2bd0 h ARG 83 Cb 1.48 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 30.25 2bd0 h ARG 83 CO 0.15 1.23 -0.91 0.66 2.80 0.00 0.00 179.97 183.90 2bd0 n TYR 84 N -3.67 0.00 -1.48 2.20 4.02 -0.36 -5.01 117.16 112.86 2bd0 n TYR 84 Ca -0.09 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.63 2bd0 n TYR 84 Cb 0.96 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.21 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 2.89 1.60 3.59 2.72 0.00 0.10 -4.91 105.19 111.19 2bd0 n GLY 85 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 2bd0 n GLY 85 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bd0 s HIS 86 N -2.45 -0.68 -0.03 1.61 5.65 -1.26 -4.98 115.29 113.15 2bd0 s HIS 86 Ca 0.00 1.50 -0.01 0.00 0.25 0.00 0.00 55.06 56.79 2bd0 s HIS 86 Cb 0.00 0.34 0.03 0.00 -1.18 0.00 0.00 32.58 31.77 2bd0 s HIS 86 CO 0.00 -0.43 0.05 -1.50 -0.65 0.00 0.00 174.74 172.21 2bd0 s ILE 87 N -0.23 -0.09 -0.12 0.89 1.10 -1.26 -4.86 121.20 116.63 2bd0 s ILE 87 Ca -0.03 0.34 0.16 0.00 -0.51 0.00 0.00 60.65 60.61 2bd0 s ILE 87 Cb -0.03 -0.12 -0.23 0.00 0.15 0.00 0.00 42.46 42.23 2bd0 s ILE 87 CO 0.03 0.14 0.43 0.47 -2.11 0.00 0.00 174.94 173.90 2bd0 n ASP 88 N 4.80 0.45 -3.71 4.50 8.00 0.11 -4.74 116.55 125.96 2bd0 n ASP 88 Ca -0.14 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 2bd0 n ASP 88 Cb 0.50 0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 42.04 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 0.90 2.03 -0.43 0.00 2.96 -0.30 -0.57 118.68 123.28 2bd0 s LEU 90 Ca -0.06 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 2bd0 s LEU 90 Cb -0.06 -1.39 0.11 0.00 0.50 0.00 0.00 46.19 45.35 2bd0 s LEU 90 CO -0.07 0.04 0.25 -0.69 -1.32 0.00 0.00 176.35 174.56 2bd0 s VAL 91 N 1.01 3.68 -1.27 1.68 1.01 0.13 -0.31 120.40 126.33 2bd0 s VAL 91 Ca -0.03 -1.87 -0.18 0.00 0.00 0.00 0.00 61.98 59.90 2bd0 s VAL 91 Cb -0.15 -3.44 0.08 0.00 0.00 0.00 0.00 36.38 32.87 2bd0 s VAL 91 CO -0.05 -0.68 1.69 0.20 0.00 0.00 0.00 175.10 176.26 2bd0 s ASN 92 N 2.12 6.84 -0.21 3.32 0.01 0.51 -2.26 114.94 125.27 2bd0 s ASN 92 Ca 0.06 -2.44 0.14 0.00 -0.71 0.00 0.00 52.86 49.91 2bd0 s ASN 92 Cb -0.24 -2.56 -0.22 0.00 0.41 0.00 0.00 41.25 38.64 2bd0 s ASN 92 CO -0.02 -1.15 0.00 -3.20 -1.51 0.00 0.00 177.10 171.22 2bd0 n ASN 93 N 8.14 0.58 -4.60 -1.22 5.15 -1.26 -1.90 115.26 120.15 2bd0 n ASN 93 Ca 0.47 -0.03 -0.50 0.00 -0.60 0.00 0.00 54.58 53.92 2bd0 n ASN 93 Cb 0.46 0.67 -0.05 0.00 -0.53 0.00 0.00 39.78 40.33 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 -2.85 -0.43 -3.55 5.20 0.00 -1.17 -4.87 120.51 112.85 2bd0 n ALA 94 Ca -0.35 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 2bd0 n ALA 94 Cb 1.10 -2.11 -0.03 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 0.36 -0.36 0.18 0.00 0.00 -1.26 -4.79 107.32 101.45 2bd0 s GLY 95 Ca 0.79 1.44 0.03 0.00 0.00 0.00 0.00 44.72 46.98 2bd0 s GLY 95 CO 0.48 0.54 -0.04 -1.34 0.00 0.00 0.00 173.10 172.73 2bd0 s VAL 96 N -2.49 0.99 -0.02 1.40 -7.23 -1.26 -5.04 120.40 106.75 2bd0 s VAL 96 Ca 0.06 -2.03 -0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2bd0 s VAL 96 Cb -0.01 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.87 2bd0 s VAL 96 CO -0.06 -0.54 0.03 -0.83 -0.31 0.00 0.00 175.10 173.39 2bd0 s GLY 97 N -3.21 0.07 -0.17 2.32 0.00 -1.26 -4.92 107.32 100.15 2bd0 s GLY 97 Ca 0.22 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.19 2bd0 s GLY 97 CO 0.04 0.54 -0.08 0.50 0.00 0.00 0.00 173.10 174.10 2bd0 s ARG 98 N 0.82 1.72 0.27 2.90 1.81 -1.26 -5.09 118.95 120.12 2bd0 s ARG 98 Ca -0.07 -0.59 0.11 0.00 -1.72 0.00 0.00 55.73 53.46 2bd0 s ARG 98 Cb -0.10 -2.10 -0.05 0.00 -0.45 0.00 0.00 34.95 32.25 2bd0 s ARG 98 CO -0.02 -0.39 -0.15 -0.06 -0.68 0.00 0.00 175.30 173.99 2bd0 s PHE 99 N 1.55 2.40 0.00 -0.53 0.40 -1.26 -4.40 117.98 116.14 2bd0 s PHE 99 Ca 0.01 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2bd0 s PHE 99 Cb -0.15 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.32 2bd0 s PHE 99 CO -0.08 0.67 0.00 0.41 0.70 0.00 0.00 175.22 176.92 2bd0 n GLY 100 N -0.60 2.59 3.69 4.36 0.00 -0.64 -5.00 105.19 109.59 2bd0 n GLY 100 Ca -0.06 -1.01 -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 -1.01 0.85 -0.26 4.61 0.00 -1.26 -4.38 120.51 119.05 2bd0 n ALA 101 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2bd0 n ALA 101 Cb 0.00 -2.25 0.09 0.00 0.00 0.00 0.00 19.45 17.29 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 0.69 -0.74 -1.48 0.00 5.85 -1.94 -0.59 115.31 117.09 2bd0 h LEU 102 Ca -0.50 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2bd0 h LEU 102 Cb 1.34 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.85 2bd0 h LEU 102 CO 0.53 -0.25 0.00 0.77 -0.34 0.00 0.00 178.44 179.14 2bd0 h SER 103 N -0.01 0.00 0.40 1.25 4.64 -1.99 -3.12 113.55 114.73 2bd0 h SER 103 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2bd0 h SER 103 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2bd0 h SER 103 CO -0.78 0.00 -0.88 0.47 -0.87 0.00 0.00 176.83 174.77 2bd0 n ASP 104 N -2.83 0.65 -4.76 4.97 8.00 -0.24 -4.95 116.55 117.38 2bd0 n ASP 104 Ca 0.00 -0.33 -0.40 0.00 0.71 0.00 0.00 54.79 54.77 2bd0 n ASP 104 Cb 0.24 0.67 -0.03 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 -3.57 4.45 0.47 0.64 1.43 -1.14 -4.97 118.68 116.00 2bd0 s LEU 105 Ca 0.06 2.46 0.07 0.00 -1.03 0.00 0.00 54.13 55.70 2bd0 s LEU 105 Cb 0.15 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2bd0 s LEU 105 CO 0.78 -0.39 0.38 0.42 0.23 0.00 0.00 176.35 177.77 2bd0 s THR 106 N -1.19 2.19 0.32 5.49 -4.23 -1.26 -5.00 115.64 111.96 2bd0 s THR 106 Ca 0.48 -1.44 0.05 0.00 -1.18 0.00 0.00 61.69 59.60 2bd0 s THR 106 Cb -0.35 -2.63 0.11 0.00 1.34 0.00 0.00 72.50 70.96 2bd0 s THR 106 CO 0.46 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.26 2bd0 h GLU 107 N 0.95 0.42 -0.22 3.99 4.81 -1.99 -1.67 114.58 120.87 2bd0 h GLU 107 Ca -0.39 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.55 2bd0 h GLU 107 Cb 1.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2bd0 h GLU 107 CO 0.59 0.58 -0.51 1.49 -0.73 0.00 0.00 179.01 180.42 2bd0 h GLU 108 N 0.39 0.61 -0.72 1.92 4.22 -1.98 0.09 114.58 119.10 2bd0 h GLU 108 Ca 0.07 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.14 2bd0 h GLU 108 Cb 0.53 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2bd0 h GLU 108 CO 0.03 0.98 0.45 -0.44 -2.18 0.00 0.00 179.01 177.85 2bd0 h ASP 109 N 0.48 0.85 0.49 1.04 3.32 -1.81 -0.02 116.42 120.75 2bd0 h ASP 109 Ca 0.02 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2bd0 h ASP 109 Cb 1.06 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2bd0 h ASP 109 CO 0.10 0.64 -0.23 0.15 -1.72 0.00 0.00 179.24 178.18 2bd0 h PHE 110 N 0.98 -0.61 -0.42 4.55 3.04 -0.99 -2.22 116.94 121.28 2bd0 h PHE 110 Ca 0.26 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.21 2bd0 h PHE 110 Cb -0.06 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 2bd0 h PHE 110 CO -0.02 -0.30 0.24 -0.44 -2.02 0.00 0.00 178.31 175.78 2bd0 h ASP 111 N -0.85 0.39 -0.51 0.41 3.32 -0.89 -0.57 116.42 117.72 2bd0 h ASP 111 Ca -0.07 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.02 2bd0 h ASP 111 Cb 0.58 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 2bd0 h ASP 111 CO 0.11 0.28 0.29 0.22 -1.72 0.00 0.00 179.24 178.42 2bd0 h TYR 112 N 0.49 0.55 -0.03 4.55 3.20 -1.04 0.91 116.97 125.59 2bd0 h TYR 112 Ca 0.17 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2bd0 h TYR 112 Cb 0.02 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 2bd0 h TYR 112 CO -0.07 0.30 -0.00 1.15 -1.64 0.00 0.00 178.16 177.90 2bd0 h THR 113 N 0.58 1.25 -0.25 1.81 2.02 -1.10 -3.25 112.91 113.97 2bd0 h THR 113 Ca 0.21 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 2bd0 h THR 113 Cb 0.05 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2bd0 h THR 113 CO -0.11 0.20 -0.39 0.24 0.37 0.00 0.00 175.52 175.83 2bd0 h MET 114 N -0.25 0.57 -0.38 6.66 2.86 -0.94 -0.90 114.93 122.56 2bd0 h MET 114 Ca 0.01 -0.28 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 2bd0 h MET 114 Cb 0.32 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2bd0 h MET 114 CO 0.00 0.87 0.26 -0.91 1.06 0.00 0.00 176.91 178.18 2bd0 h ASN 115 N 0.47 0.31 0.00 1.22 -0.26 -0.88 0.87 115.58 117.32 2bd0 h ASN 115 Ca 0.04 -0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.68 2bd0 h ASN 115 Cb 0.89 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 2bd0 h ASN 115 CO 0.08 0.21 -1.11 0.41 -1.06 0.00 0.00 177.43 175.96 2bd0 n THR 116 N -4.48 1.48 -0.19 2.81 -1.04 -1.17 -1.02 114.28 110.67 2bd0 n THR 116 Ca 0.04 0.07 -0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2bd0 n THR 116 Cb 0.18 -2.26 0.23 0.00 -1.82 0.00 0.00 70.33 66.66 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 0.84 0.00 8.00 -0.26 -1.23 -2.77 115.58 119.16 2bd0 h ASN 117 Ca -0.15 -0.06 -0.18 0.00 -0.56 0.00 0.00 56.30 55.36 2bd0 h ASN 117 Cb 0.97 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.99 2bd0 h ASN 117 CO -0.09 0.67 -1.43 0.18 -1.06 0.00 0.00 177.43 175.70 2bd0 n LEU 118 N -4.38 1.31 0.28 1.61 4.77 -0.51 -4.45 117.00 115.62 2bd0 n LEU 118 Ca 0.07 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2bd0 n LEU 118 Cb 0.08 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 2bd0 n LEU 118 CO 0.37 0.04 0.45 0.50 -1.33 0.00 0.00 177.39 177.43 2bd0 h LYS 119 N -0.58 -0.71 -0.52 3.23 3.64 -0.99 -0.14 116.57 120.50 2bd0 h LYS 119 Ca -0.26 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2bd0 h LYS 119 Cb 1.08 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 2bd0 h LYS 119 CO -0.16 -0.40 0.32 0.78 -2.27 0.00 0.00 179.45 177.72 2bd0 h GLY 120 N -1.05 0.75 0.88 5.01 0.00 -1.12 -1.86 103.07 105.68 2bd0 h GLY 120 Ca -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2bd0 h GLY 120 CO 0.12 0.29 0.30 -0.84 0.00 0.00 0.00 176.54 176.41 2bd0 h THR 121 N 0.70 1.05 0.34 4.70 2.02 -1.53 -1.55 112.91 118.64 2bd0 h THR 121 Ca 0.19 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2bd0 h THR 121 Cb -0.03 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2bd0 h THR 121 CO -0.04 0.11 -0.16 0.15 0.37 0.00 0.00 175.52 175.95 2bd0 h PHE 122 N 0.59 -0.42 0.00 3.16 3.57 -0.63 -1.80 116.94 121.41 2bd0 h PHE 122 Ca 0.20 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2bd0 h PHE 122 Cb 0.02 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2bd0 h PHE 122 CO -0.07 -0.22 -0.34 0.74 -2.23 0.00 0.00 178.31 176.19 2bd0 h PHE 123 N -0.51 0.00 -0.23 0.41 0.04 -1.28 0.16 116.94 115.53 2bd0 h PHE 123 Ca -0.05 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 2bd0 h PHE 123 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2bd0 h PHE 123 CO -0.04 0.34 -0.42 1.25 -0.60 0.00 0.00 178.31 178.84 2bd0 h LEU 124 N 0.00 0.77 -0.42 1.54 5.85 -1.25 -2.33 115.31 119.47 2bd0 h LEU 124 Ca -0.00 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2bd0 h LEU 124 Cb 0.63 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2bd0 h LEU 124 CO 0.04 1.16 0.18 0.74 -0.34 0.00 0.00 178.44 180.23 2bd0 h THR 125 N 0.41 1.19 -0.09 1.05 2.02 -0.93 -1.81 112.91 114.75 2bd0 h THR 125 Ca 0.01 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.66 2bd0 h THR 125 Cb 1.02 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 2bd0 h THR 125 CO 0.09 0.21 -0.15 -0.61 0.37 0.00 0.00 175.52 175.44 2bd0 h GLN 126 N 0.54 -0.19 -0.22 6.66 4.15 -0.65 0.58 115.11 125.98 2bd0 h GLN 126 Ca 0.14 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 2bd0 h GLN 126 Cb 0.16 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2bd0 h GLN 126 CO -0.01 -0.13 0.09 0.00 -1.93 0.00 0.00 178.83 176.84 2bd0 h ALA 127 N 0.82 0.29 0.00 3.38 0.00 -1.29 -3.09 119.26 119.37 2bd0 h ALA 127 Ca 0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2bd0 h ALA 127 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2bd0 h ALA 127 CO -0.21 -0.12 -0.78 -0.07 0.00 0.00 0.00 179.25 178.07 2bd0 h LEU 128 N 0.20 0.00 -1.54 0.00 3.38 -1.25 -3.10 115.31 113.00 2bd0 h LEU 128 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2bd0 h LEU 128 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2bd0 h LEU 128 CO -0.01 0.78 -0.18 0.15 0.09 0.00 0.00 178.44 179.28 2bd0 h PHE 129 N 0.00 0.08 -0.95 1.13 3.57 -0.90 -1.82 116.94 118.05 2bd0 h PHE 129 Ca -0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2bd0 h PHE 129 Cb 1.46 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 2bd0 h PHE 129 CO 0.00 0.25 0.61 0.00 -2.23 0.00 0.00 178.31 176.95 2bd0 h ALA 130 N 1.75 1.28 -0.41 2.41 0.00 -1.46 0.18 119.26 123.01 2bd0 h ALA 130 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2bd0 h ALA 130 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2bd0 h ALA 130 CO 0.02 0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.65 2bd0 h LEU 131 N 1.16 0.72 -0.75 0.00 4.07 -1.44 -2.72 115.31 116.35 2bd0 h LEU 131 Ca 0.39 -0.31 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 2bd0 h LEU 131 Cb 0.06 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2bd0 h LEU 131 CO -0.14 0.86 0.02 0.24 -1.08 0.00 0.00 178.44 178.34 2bd0 h MET 132 N 0.56 0.98 -0.89 1.13 2.86 -0.99 -1.42 114.93 117.16 2bd0 h MET 132 Ca 0.12 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2bd0 h MET 132 Cb 0.49 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2bd0 h MET 132 CO 0.02 0.95 0.54 1.49 1.06 0.00 0.00 176.91 180.97 2bd0 h GLU 133 N 0.90 1.21 -0.47 1.72 4.81 -0.58 0.27 114.58 122.44 2bd0 h GLU 133 Ca 0.17 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 2bd0 h GLU 133 Cb 0.50 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2bd0 h GLU 133 CO 0.02 0.84 -0.21 0.00 -0.73 0.00 0.00 179.01 178.93 2bd0 h ARG 134 N 1.23 0.97 0.00 1.92 3.08 -1.20 -2.86 114.38 117.51 2bd0 h ARG 134 Ca 0.32 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 2bd0 h ARG 134 Cb -0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2bd0 h ARG 134 CO -0.06 1.08 -0.33 1.96 -1.07 0.00 0.00 179.97 181.55 2bd0 h GLN 135 N 0.84 0.00 -3.71 0.04 4.20 -0.58 -3.46 115.11 112.44 2bd0 h GLN 135 Ca 0.11 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.51 2bd0 h GLN 135 Cb 0.78 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.62 2bd0 h GLN 135 CO 0.07 0.33 -0.47 1.58 -0.67 0.00 0.00 178.83 179.66 2bd0 n HIS 136 N -3.64 -1.62 -3.53 2.96 -0.00 0.90 -4.98 115.22 105.31 2bd0 n HIS 136 Ca -0.01 0.46 -0.13 0.00 -0.00 0.00 0.00 57.72 58.05 2bd0 n HIS 136 Cb 0.44 -3.75 -0.04 0.00 -0.00 0.00 0.00 29.99 26.64 2bd0 n HIS 136 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2bd0 s SER 137 N -2.85 -0.48 0.00 0.26 1.04 -1.08 -4.55 113.70 106.04 2bd0 s SER 137 Ca 0.27 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2bd0 s SER 137 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2bd0 s SER 137 CO 0.33 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2bd0 n GLY 138 N 0.49 3.83 2.90 7.32 0.00 -1.25 -4.53 105.19 113.94 2bd0 n GLY 138 Ca -0.13 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.15 -0.12 1.61 2.46 -0.70 -0.74 115.29 115.65 2bd0 s HIS 139 Ca 0.00 0.47 0.03 0.00 0.47 0.00 0.00 55.06 56.03 2bd0 s HIS 139 Cb 0.00 -0.13 0.01 0.00 -0.13 0.00 0.00 32.58 32.33 2bd0 s HIS 139 CO 0.00 -0.18 -0.22 0.42 -2.47 0.00 0.00 174.74 172.29 2bd0 s ILE 140 N 1.34 2.10 -0.10 0.89 1.01 0.18 -1.15 121.20 125.47 2bd0 s ILE 140 Ca -0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 2bd0 s ILE 140 Cb -0.12 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2bd0 s ILE 140 CO -0.06 0.55 0.02 -0.36 0.00 0.00 0.00 174.94 175.09 2bd0 s PHE 141 N 0.62 3.20 -0.16 3.97 0.40 0.57 -1.24 117.98 125.36 2bd0 s PHE 141 Ca -0.12 0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 2bd0 s PHE 141 Cb -0.16 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.54 2bd0 s PHE 141 CO 0.02 0.44 -0.20 -0.06 0.70 0.00 0.00 175.22 176.12 2bd0 s PHE 142 N -0.71 2.61 -0.61 0.36 0.40 0.46 -0.36 117.98 120.12 2bd0 s PHE 142 Ca 0.11 -1.43 -0.20 0.00 -0.60 0.00 0.00 56.93 54.82 2bd0 s PHE 142 Cb -0.12 -1.81 0.10 0.00 0.51 0.00 0.00 43.02 41.70 2bd0 s PHE 142 CO 0.02 -0.69 0.77 0.42 0.70 0.00 0.00 175.22 176.44 2bd0 s ILE 143 N 1.10 4.69 0.00 0.64 -1.09 -0.80 -0.77 121.20 124.97 2bd0 s ILE 143 Ca -0.01 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 2bd0 s ILE 143 Cb -0.14 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 2bd0 s ILE 143 CO -0.08 -1.22 0.00 0.35 -1.23 0.00 0.00 174.94 172.77 2bd0 n THR 144 N 5.64 0.00 0.00 2.92 -2.24 0.18 -4.86 114.28 115.91 2bd0 n THR 144 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2bd0 n THR 144 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.20 3.42 2.88 -1.25 -4.69 113.62 114.18 2bd0 n SER 145 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2bd0 n SER 145 Cb 0.00 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.48 0.00 0.00 2.46 -1.51 -1.57 -1.56 116.25 114.54 2bd0 h VAL 146 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2bd0 h VAL 146 Cb 0.00 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 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 -1.91 2.36 0.95 5.19 0.00 -1.26 -1.49 120.51 124.35 2bd0 n ALA 147 Ca 0.01 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2bd0 n ALA 147 Cb 0.25 -1.37 0.32 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.99 3.19 -0.05 0.00 0.00 -0.59 -4.19 120.51 117.89 2bd0 n ALA 148 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2bd0 n ALA 148 Cb 0.08 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.58 0.00 -4.37 0.00 -2.24 -0.91 -4.21 114.28 100.97 2bd0 n THR 149 Ca 0.06 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 2bd0 n THR 149 Cb 0.35 1.05 -0.14 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.28 0.79 0.21 -0.78 2.20 -0.56 -5.15 119.74 116.18 2bd0 s LYS 150 Ca 0.00 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 2bd0 s LYS 150 Cb 0.00 -0.76 -0.04 0.00 -1.51 0.00 0.00 37.83 35.52 2bd0 s LYS 150 CO 0.00 0.20 0.41 0.00 -0.36 0.00 0.00 175.35 175.60 2bd0 s ALA 151 N -0.45 3.80 0.01 3.13 0.00 -1.26 -4.25 121.76 122.74 2bd0 s ALA 151 Ca 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2bd0 s ALA 151 Cb -0.05 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 2bd0 s ALA 151 CO 0.00 0.42 -0.05 -0.06 0.00 0.00 0.00 175.76 176.06 2bd0 s PHE 152 N -1.89 0.46 0.24 0.00 0.40 -1.26 -5.07 117.98 110.85 2bd0 s PHE 152 Ca 0.39 -0.16 -0.10 0.00 -0.60 0.00 0.00 56.93 56.46 2bd0 s PHE 152 Cb -0.11 -0.29 0.35 0.00 0.51 0.00 0.00 43.02 43.48 2bd0 s PHE 152 CO 0.29 -0.02 1.62 0.00 0.70 0.00 0.00 175.22 177.80 2bd0 h ARG 153 N 5.73 0.03 -0.63 0.44 3.08 -1.99 -0.35 114.38 120.69 2bd0 h ARG 153 Ca -0.29 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2bd0 h ARG 153 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2bd0 h ARG 153 CO 0.48 0.02 0.00 0.72 -1.07 0.00 0.00 179.97 180.13 2bd0 n HIS 154 N -5.44 1.09 -1.54 3.04 8.25 -1.26 -4.28 115.22 115.08 2bd0 n HIS 154 Ca 0.11 -0.42 -0.02 0.00 -0.26 0.00 0.00 57.72 57.14 2bd0 n HIS 154 Cb 0.42 -0.22 0.19 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 0.62 2.36 -0.07 0.41 7.64 -0.14 -1.62 113.62 122.82 2bd0 n SER 155 Ca 0.18 -3.84 -0.07 0.00 1.01 0.00 0.00 58.87 56.14 2bd0 n SER 155 Cb 0.69 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.07 -0.21 -0.07 6.43 4.64 -1.75 0.53 113.55 124.20 2bd0 h SER 156 Ca 0.15 0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 61.31 2bd0 h SER 156 Cb 1.40 0.15 0.01 0.00 -0.31 0.00 0.00 62.40 63.65 2bd0 h SER 156 CO 0.28 -0.07 -0.88 0.40 -0.87 0.00 0.00 176.83 175.69 2bd0 h ILE 157 N 0.02 1.28 -0.41 0.95 2.04 -1.87 -2.28 117.51 117.25 2bd0 h ILE 157 Ca 0.13 -2.09 -0.00 0.00 1.00 0.00 0.00 64.86 63.89 2bd0 h ILE 157 Cb 0.19 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2bd0 h ILE 157 CO -0.26 0.66 0.24 0.22 0.00 0.00 0.00 178.15 179.01 2bd0 h TYR 158 N 0.48 0.54 -0.62 1.37 3.20 -1.69 -1.88 116.97 118.35 2bd0 h TYR 158 Ca -0.08 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.71 2bd0 h TYR 158 Cb 1.52 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.59 2bd0 h TYR 158 CO 0.09 0.39 0.11 0.00 -1.64 0.00 0.00 178.16 177.10 2bd0 h MET 160 N 0.95 1.08 -0.13 0.00 2.86 -1.04 0.20 114.93 118.85 2bd0 h MET 160 Ca 0.19 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 2bd0 h MET 160 Cb 0.40 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2bd0 h MET 160 CO 0.01 0.71 -0.61 0.66 1.06 0.00 0.00 176.91 178.74 2bd0 h SER 161 N 1.11 0.52 0.35 1.22 4.64 -0.69 -0.97 113.55 119.73 2bd0 h SER 161 Ca 0.36 -0.30 -0.32 0.00 -0.47 0.00 0.00 61.79 61.05 2bd0 h SER 161 Cb 0.01 -0.15 0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2bd0 h SER 161 CO -0.12 1.00 -1.43 0.11 -0.87 0.00 0.00 176.83 175.53 2bd0 h LYS 162 N 0.34 0.48 -0.77 4.77 1.79 -0.65 -0.52 116.57 122.01 2bd0 h LYS 162 Ca -0.01 -0.82 -0.04 0.00 -2.18 0.00 0.00 60.65 57.61 2bd0 h LYS 162 Cb 1.16 0.31 -0.04 0.00 -1.58 0.00 0.00 32.23 32.08 2bd0 h LYS 162 CO 0.11 1.39 0.34 0.74 -1.08 0.00 0.00 179.45 180.95 2bd0 h PHE 163 N 0.13 1.14 -0.58 -1.35 -1.00 -0.68 -1.68 116.94 112.93 2bd0 h PHE 163 Ca -0.23 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.49 2bd0 h PHE 163 Cb 2.13 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 41.31 2bd0 h PHE 163 CO 0.11 0.85 0.37 0.78 -1.61 0.00 0.00 178.31 178.81 2bd0 h GLY 164 N 1.14 0.82 1.15 -1.45 0.00 -1.07 -1.74 103.07 101.93 2bd0 h GLY 164 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2bd0 h GLY 164 CO -0.03 0.31 0.55 1.46 0.00 0.00 0.00 176.54 178.83 2bd0 h GLN 165 N 0.78 1.13 -0.41 4.80 4.20 -0.54 -1.31 115.11 123.77 2bd0 h GLN 165 Ca 0.21 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 2bd0 h GLN 165 Cb -0.06 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.45 2bd0 h GLN 165 CO -0.04 0.77 0.09 -0.09 -0.67 0.00 0.00 178.83 178.89 2bd0 h ARG 166 N 1.16 0.61 -0.90 1.46 2.43 -0.60 -0.44 114.38 118.10 2bd0 h ARG 166 Ca 0.31 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2bd0 h ARG 166 Cb -0.10 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 2bd0 h ARG 166 CO -0.06 0.56 0.56 0.78 -1.51 0.00 0.00 179.97 180.30 2bd0 h GLY 167 N 0.82 1.29 0.96 2.80 0.00 -0.40 -0.09 103.07 108.44 2bd0 h GLY 167 Ca 0.14 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2bd0 h GLY 167 CO -0.00 0.50 -0.16 -2.00 0.00 0.00 0.00 176.54 174.89 2bd0 h LEU 168 N 1.23 0.73 -0.35 3.11 5.85 -0.97 -2.56 115.31 122.35 2bd0 h LEU 168 Ca 0.32 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2bd0 h LEU 168 Cb -0.08 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 2bd0 h LEU 168 CO -0.06 0.97 0.09 0.58 -0.34 0.00 0.00 178.44 179.68 2bd0 h VAL 169 N 0.48 0.86 -0.05 1.05 2.07 -0.55 0.68 116.25 120.79 2bd0 h VAL 169 Ca 0.08 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2bd0 h VAL 169 Cb 0.69 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2bd0 h VAL 169 CO 0.05 0.04 -0.22 -0.33 0.02 0.00 0.00 177.57 177.13 2bd0 h GLU 170 N 0.23 0.09 -0.05 1.57 4.39 -0.98 -1.83 114.58 117.99 2bd0 h GLU 170 Ca 0.16 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.60 2bd0 h GLU 170 Cb 0.16 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2bd0 h GLU 170 CO -0.19 0.31 -0.92 1.15 -1.16 0.00 0.00 179.01 178.20 2bd0 h THR 171 N 0.08 1.31 -0.23 1.13 2.02 -0.96 -3.13 112.91 113.13 2bd0 h THR 171 Ca 0.01 -2.19 -0.02 0.00 0.77 0.00 0.00 66.41 64.98 2bd0 h THR 171 Cb 0.44 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 2bd0 h THR 171 CO 0.03 0.68 0.07 0.24 0.37 0.00 0.00 175.52 176.90 2bd0 h MET 172 N 0.40 0.32 -0.73 6.66 2.86 -0.30 -1.97 114.93 122.16 2bd0 h MET 172 Ca -0.09 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2bd0 h MET 172 Cb 1.55 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.11 2bd0 h MET 172 CO 0.18 0.30 0.48 0.00 1.06 0.00 0.00 176.91 178.93 2bd0 h ARG 173 N 0.32 0.95 -0.55 1.72 3.08 -1.29 0.16 114.38 118.76 2bd0 h ARG 173 Ca 0.08 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2bd0 h ARG 173 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2bd0 h ARG 173 CO -0.01 0.63 0.10 -0.07 -1.07 0.00 0.00 179.97 179.55 2bd0 h LEU 174 N 0.97 0.82 0.14 3.04 3.38 -1.42 -2.24 115.31 120.02 2bd0 h LEU 174 Ca 0.27 -0.17 -0.24 0.00 0.09 0.00 0.00 57.88 57.84 2bd0 h LEU 174 Cb -0.09 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 40.47 2bd0 h LEU 174 CO -0.06 0.83 -1.03 1.88 0.09 0.00 0.00 178.44 180.14 2bd0 h TYR 175 N 0.83 0.76 -0.86 1.13 0.05 -1.38 -3.37 116.97 114.14 2bd0 h TYR 175 Ca 0.18 -0.52 -0.02 0.00 0.05 0.00 0.00 58.73 58.42 2bd0 h TYR 175 Cb 0.35 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 2bd0 h TYR 175 CO 0.02 1.38 0.47 0.00 -1.05 0.00 0.00 178.16 178.98 2bd0 h ALA 176 N 0.18 1.20 0.00 3.88 0.00 -0.61 -2.87 119.26 121.03 2bd0 h ALA 176 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bd0 h ALA 176 Cb 1.78 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2bd0 h ALA 176 CO 0.20 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.09 2bd0 h ARG 177 N 1.21 0.00 0.00 0.00 3.08 -1.56 -2.09 114.38 115.02 2bd0 h ARG 177 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2bd0 h ARG 177 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2bd0 h ARG 177 CO -0.05 0.00 -0.89 1.63 -1.07 0.00 0.00 179.97 179.59 2bd0 n LYS 178 N -2.80 0.12 -0.98 0.04 5.02 -1.09 -4.38 118.16 114.09 2bd0 n LYS 178 Ca -0.02 -0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.31 2bd0 n LYS 178 Cb 0.11 -1.53 0.14 0.00 -0.02 0.00 0.00 35.03 33.72 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 -0.51 -5.40 -4.58 0.00 4.05 -1.12 -3.52 115.26 104.17 2bd0 n ASN 180 Ca 0.15 -0.42 -0.34 0.00 0.45 0.00 0.00 54.58 54.42 2bd0 n ASN 180 Cb 0.86 -4.35 -0.11 0.00 1.23 0.00 0.00 39.78 37.41 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 -3.16 3.78 -0.11 3.44 1.01 -0.92 -3.90 120.40 120.54 2bd0 s VAL 181 Ca 0.42 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 2bd0 s VAL 181 Cb -0.20 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2bd0 s VAL 181 CO 0.52 0.58 0.19 -0.13 0.00 0.00 0.00 175.10 176.26 2bd0 s ARG 182 N -0.64 3.64 -0.16 2.72 0.52 0.09 -4.35 118.95 120.76 2bd0 s ARG 182 Ca 0.10 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.28 2bd0 s ARG 182 Cb -0.12 -3.23 0.02 0.00 0.52 0.00 0.00 34.95 32.15 2bd0 s ARG 182 CO 0.02 0.69 -0.17 0.42 0.02 0.00 0.00 175.30 176.28 2bd0 s ILE 183 N -0.82 1.80 -0.12 1.52 -1.09 -1.26 -0.65 121.20 120.58 2bd0 s ILE 183 Ca 0.16 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.83 2bd0 s ILE 183 Cb -0.13 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 2bd0 s ILE 183 CO 0.05 0.50 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.14 2bd0 s THR 184 N 1.39 2.12 -0.40 2.92 2.01 -0.37 -4.34 115.64 118.98 2bd0 s THR 184 Ca 0.05 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2bd0 s THR 184 Cb -0.13 -1.83 0.08 0.00 0.01 0.00 0.00 72.50 70.63 2bd0 s THR 184 CO -0.12 0.55 0.22 -0.62 -0.69 0.00 0.00 174.62 173.96 2bd0 s ASP 185 N 0.60 5.51 -0.25 3.53 -1.08 0.33 -0.40 116.67 124.92 2bd0 s ASP 185 Ca -0.12 -1.51 -0.17 0.00 -0.52 0.00 0.00 52.55 50.23 2bd0 s ASP 185 Cb -0.17 -1.94 -0.03 0.00 -1.46 0.00 0.00 42.92 39.32 2bd0 s ASP 185 CO 0.03 -0.50 0.47 -0.69 0.52 0.00 0.00 175.17 175.00 2bd0 s VAL 186 N 1.38 5.11 -0.53 1.11 1.01 0.05 -2.02 120.40 126.51 2bd0 s VAL 186 Ca 0.03 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.84 2bd0 s VAL 186 Cb -0.22 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.50 2bd0 s VAL 186 CO 0.01 0.13 0.27 -1.10 0.00 0.00 0.00 175.10 174.42 2bd0 s GLN 187 N 2.05 1.99 0.31 2.72 -0.21 0.42 -0.65 119.66 126.28 2bd0 s GLN 187 Ca 0.20 -2.66 -0.03 0.00 0.02 0.00 0.00 55.36 52.89 2bd0 s GLN 187 Cb -0.16 -3.30 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 2bd0 s GLN 187 CO 0.09 -1.12 0.56 -1.25 -2.12 0.00 0.00 175.29 171.44 2bd0 s PRO 188 N -0.36 3.58 0.00 2.91 0.04 -1.26 -1.93 135.00 137.98 2bd0 s PRO 188 Ca 0.18 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.13 2bd0 s PRO 188 Cb -0.25 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2bd0 s PRO 188 CO -0.01 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2bd0 n GLY 189 N -1.20 1.25 3.68 0.56 0.00 0.62 -1.94 105.19 108.16 2bd0 n GLY 189 Ca -0.02 -1.80 -0.47 0.00 0.00 0.00 0.00 46.02 43.73 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 1.16 -3.51 4.61 0.00 -1.26 -4.94 120.51 113.57 2bd0 n ALA 190 Ca 0.00 0.34 -0.25 0.00 0.00 0.00 0.00 53.44 53.53 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 2.87 1.17 -0.49 0.00 1.01 -1.26 -1.46 120.40 122.24 2bd0 s VAL 191 Ca 0.87 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.09 2bd0 s VAL 191 Cb -0.66 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2bd0 s VAL 191 CO 0.45 0.37 1.86 -0.47 0.00 0.00 0.00 175.10 177.31 2bd0 s TYR 192 N 0.77 1.70 0.24 5.22 5.04 -0.53 -4.85 117.35 124.95 2bd0 s TYR 192 Ca -0.12 0.78 -0.04 0.00 -2.44 0.00 0.00 57.07 55.24 2bd0 s TYR 192 Cb -0.16 -4.08 -0.02 0.00 0.35 0.00 0.00 41.96 38.05 2bd0 s TYR 192 CO 0.02 -2.55 0.28 0.95 -1.34 0.00 0.00 175.55 172.92 2bd0 s THR 193 N 8.36 0.00 0.64 4.34 -4.23 -1.26 -4.41 115.64 119.08 2bd0 s THR 193 Ca 0.74 -1.78 0.43 0.00 -1.18 0.00 0.00 61.69 59.89 2bd0 s THR 193 Cb -0.17 -2.43 0.43 0.00 1.34 0.00 0.00 72.50 71.67 2bd0 s THR 193 CO 0.26 0.00 2.30 -0.65 -0.54 0.00 0.00 174.62 176.00 2bd0 h PRO 194 N 2.41 0.00 -0.63 3.99 0.11 -1.92 -1.89 132.00 134.08 2bd0 h PRO 194 Ca -0.31 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.90 2bd0 h PRO 194 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2bd0 h PRO 194 CO 0.45 0.00 0.42 1.98 -0.21 0.00 0.00 178.00 180.64 2bd0 h MET 195 N 0.00 0.42 0.00 1.05 4.05 -1.95 -1.19 114.93 117.31 2bd0 h MET 195 Ca 0.00 -0.03 -0.21 0.00 -0.28 0.00 0.00 59.70 59.18 2bd0 h MET 195 Cb 0.07 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 2bd0 h MET 195 CO 0.00 0.28 -1.23 -1.49 0.23 0.00 0.00 176.91 174.70 2bd0 h TRP 196 N 0.44 0.00 0.00 1.39 4.06 -1.67 -3.49 115.95 116.68 2bd0 h TRP 196 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 2bd0 h TRP 196 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 2bd0 h TRP 196 CO -0.00 0.84 0.00 0.41 -3.56 0.00 0.00 178.44 176.13 2bd0 n GLY 197 N 1.40 2.00 0.00 1.49 0.00 -0.45 -4.86 105.19 104.77 2bd0 n GLY 197 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -0.22 -2.48 1.61 0.00 -1.26 -4.94 118.16 110.87 2bd0 n LYS 198 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 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 -1.82 0.00 -1.22 0.58 0.24 -1.26 -5.03 118.33 109.81 2bd0 n VAL 199 Ca 0.00 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2bd0 n VAL 199 Cb 0.00 0.12 -0.00 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.26 -0.03 0.00 -1.34 5.68 -1.26 -4.96 116.55 114.38 2bd0 n ASP 200 Ca 0.02 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 2bd0 n ASP 200 Cb 0.14 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2bd0 n ASP 200 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2bd0 n ASP 201 N 0.00 0.00 -0.24 -1.12 9.92 -1.26 -3.77 116.55 120.08 2bd0 n ASP 201 Ca -0.01 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.19 2bd0 n ASP 201 Cb 0.12 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.64 2bd0 n ASP 201 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2bd0 h GLU 202 N 0.00 0.93 0.29 -1.24 -0.00 -1.98 0.43 114.58 113.01 2bd0 h GLU 202 Ca 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 59.36 59.25 2bd0 h GLU 202 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 28.75 28.57 2bd0 h GLU 202 CO 0.00 0.68 -0.14 1.98 -0.00 0.00 0.00 179.01 181.53 2bd0 h MET 203 N 0.92 -0.38 -0.08 1.06 4.05 -1.93 -2.65 114.93 115.93 2bd0 h MET 203 Ca 0.24 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.71 2bd0 h MET 203 Cb 0.01 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2bd0 h MET 203 CO -0.04 -0.11 0.09 0.37 0.23 0.00 0.00 176.91 177.45 2bd0 h GLN 204 N -0.61 0.00 0.00 0.39 4.15 -1.78 -0.26 115.11 117.00 2bd0 h GLN 204 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2bd0 h GLN 204 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2bd0 h GLN 204 CO 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.97 2bd0 h ALA 205 N 1.89 1.00 -0.43 3.38 0.00 0.22 -2.99 119.26 122.32 2bd0 h ALA 205 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2bd0 h ALA 205 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2bd0 h ALA 205 CO -0.00 0.00 0.06 1.28 0.00 0.00 0.00 179.25 180.59 2bd0 n LEU 206 N -2.39 4.65 -4.42 0.00 4.77 -0.11 -4.98 117.00 114.52 2bd0 n LEU 206 Ca 0.04 -3.22 -0.22 0.00 -0.03 0.00 0.00 56.01 52.58 2bd0 n LEU 206 Cb 0.35 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2bd0 n LEU 206 CO 0.26 0.82 -0.44 -0.04 -1.33 0.00 0.00 177.39 176.66 2bd0 s MET 207 N -2.96 1.53 0.66 3.23 -1.94 -1.13 -4.79 119.30 113.91 2bd0 s MET 207 Ca 0.47 -1.71 -0.05 0.00 -1.71 0.00 0.00 55.69 52.69 2bd0 s MET 207 Cb 0.39 -1.42 0.05 0.00 2.01 0.00 0.00 34.83 35.86 2bd0 s MET 207 CO 0.09 0.22 0.95 -1.64 -0.01 0.00 0.00 175.02 174.63 2bd0 s MET 208 N -3.60 2.32 0.13 2.03 -1.94 -0.53 -4.85 119.30 112.85 2bd0 s MET 208 Ca 0.27 -0.36 0.06 0.00 -1.71 0.00 0.00 55.69 53.95 2bd0 s MET 208 Cb -0.02 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 2bd0 s MET 208 CO 0.11 -1.09 -0.01 -1.64 -0.01 0.00 0.00 175.02 172.38 2bd0 s MET 209 N -5.12 2.43 0.40 2.03 -1.94 -1.26 -1.45 119.30 114.39 2bd0 s MET 209 Ca 0.59 -0.98 0.13 0.00 -1.71 0.00 0.00 55.69 53.72 2bd0 s MET 209 Cb -0.11 -2.43 0.95 0.00 2.01 0.00 0.00 34.83 35.25 2bd0 s MET 209 CO 0.43 0.50 1.89 -1.00 -0.01 0.00 0.00 175.02 176.83 2bd0 h PRO 210 N 3.13 0.52 0.00 2.03 0.13 -1.91 -0.41 132.00 135.48 2bd0 h PRO 210 Ca -0.48 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2bd0 h PRO 210 Cb 1.18 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2bd0 h PRO 210 CO 0.58 0.34 -0.08 1.05 -0.23 0.00 0.00 178.00 179.66 2bd0 h GLU 211 N 0.53 0.00 -0.06 0.86 9.09 -1.92 -1.34 114.58 121.75 2bd0 h GLU 211 Ca 0.41 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.72 2bd0 h GLU 211 Cb 0.82 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.91 2bd0 h GLU 211 CO -0.16 0.08 -0.41 -0.44 0.05 0.00 0.00 179.01 178.13 2bd0 h ASP 212 N 0.00 0.13 0.21 3.06 3.32 -1.47 -2.53 116.42 119.15 2bd0 h ASP 212 Ca -0.00 -0.05 -0.31 0.00 0.02 0.00 0.00 57.03 56.68 2bd0 h ASP 212 Cb 0.23 -0.04 0.03 0.00 0.22 0.00 0.00 39.33 39.77 2bd0 h ASP 212 CO 0.01 0.53 -1.44 0.40 -1.72 0.00 0.00 179.24 177.02 2bd0 h ILE 213 N 0.11 1.22 -0.78 0.35 1.08 -1.32 -3.36 117.51 114.80 2bd0 h ILE 213 Ca 0.01 -2.61 -0.01 0.00 -0.39 0.00 0.00 64.86 61.86 2bd0 h ILE 213 Cb 0.77 2.98 -0.04 0.00 -3.07 0.00 0.00 36.82 37.47 2bd0 h ILE 213 CO 0.06 0.80 0.44 0.00 -0.69 0.00 0.00 178.15 178.76 2bd0 h ALA 214 N 0.12 1.31 0.14 1.87 0.00 -1.26 -3.13 119.26 118.30 2bd0 h ALA 214 Ca -0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2bd0 h ALA 214 Cb 2.05 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 2bd0 h ALA 214 CO 0.22 0.57 -0.36 0.00 0.00 0.00 0.00 179.25 179.68 2bd0 h ALA 215 N 1.40 -0.64 -0.27 0.00 0.00 -1.60 -1.93 119.26 116.22 2bd0 h ALA 215 Ca 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2bd0 h ALA 215 Cb -0.00 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bd0 h ALA 215 CO -0.05 -0.92 0.07 -1.35 0.00 0.00 0.00 179.25 177.00 2bd0 h PRO 216 N -0.61 0.38 0.09 0.00 0.11 -1.75 -1.53 132.00 128.70 2bd0 h PRO 216 Ca 0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2bd0 h PRO 216 Cb 0.63 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2bd0 h PRO 216 CO -0.20 0.35 -0.04 0.28 -0.21 0.00 0.00 178.00 178.18 2bd0 h VAL 217 N 0.38 1.00 -0.67 3.15 2.07 -1.42 -0.38 116.25 120.39 2bd0 h VAL 217 Ca 0.09 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2bd0 h VAL 217 Cb 0.15 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2bd0 h VAL 217 CO -0.00 0.08 0.12 0.58 0.02 0.00 0.00 177.57 178.37 2bd0 h VAL 218 N -0.26 1.26 -0.37 2.57 2.07 -1.13 -2.32 116.25 118.07 2bd0 h VAL 218 Ca -0.01 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 2bd0 h VAL 218 Cb 0.22 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2bd0 h VAL 218 CO 0.02 0.38 -0.02 1.56 0.02 0.00 0.00 177.57 179.53 2bd0 h GLN 219 N 1.02 0.60 -0.66 1.57 1.08 -1.17 -1.64 115.11 115.91 2bd0 h GLN 219 Ca 0.20 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 2bd0 h GLN 219 Cb 0.42 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 2bd0 h GLN 219 CO 0.01 0.63 0.16 0.00 -0.95 0.00 0.00 178.83 178.69 2bd0 h ALA 220 N 1.42 1.05 -0.38 3.87 0.00 -0.70 -2.41 119.26 122.11 2bd0 h ALA 220 Ca 0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2bd0 h ALA 220 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2bd0 h ALA 220 CO 0.02 0.63 -0.17 -0.92 0.00 0.00 0.00 179.25 178.80 2bd0 h TYR 221 N 0.98 0.79 0.00 0.00 3.20 -0.88 -2.86 116.97 118.21 2bd0 h TYR 221 Ca 0.21 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2bd0 h TYR 221 Cb 0.34 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2bd0 h TYR 221 CO 0.02 0.83 0.00 1.28 -1.64 0.00 0.00 178.16 178.66 2bd0 n LEU 222 N -4.14 0.00 -4.75 2.82 4.77 -0.67 -4.83 117.00 110.20 2bd0 n LEU 222 Ca 0.01 0.10 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 2bd0 n LEU 222 Cb 0.39 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2bd0 n LEU 222 CO 0.43 -0.01 0.80 -1.10 -1.33 0.00 0.00 177.39 176.18 2bd0 s GLN 223 N -2.21 2.72 0.70 3.23 -1.52 -1.00 -4.95 119.66 116.62 2bd0 s GLN 223 Ca 0.36 1.70 -0.16 0.00 -1.95 0.00 0.00 55.36 55.31 2bd0 s GLN 223 Cb 0.19 -1.91 0.02 0.00 -0.22 0.00 0.00 33.01 31.09 2bd0 s GLN 223 CO 0.36 -1.37 1.23 -1.25 -0.25 0.00 0.00 175.29 174.00 2bd0 s PRO 224 N -3.65 2.31 0.59 2.91 0.04 -1.26 -4.86 135.00 131.08 2bd0 s PRO 224 Ca 0.74 1.86 0.29 0.00 0.04 0.00 0.00 61.00 63.93 2bd0 s PRO 224 Cb -0.27 -1.84 1.51 0.00 0.04 0.00 0.00 34.50 33.93 2bd0 s PRO 224 CO 0.38 -1.73 1.93 0.66 0.04 0.00 0.00 177.00 178.28 2bd0 h SER 225 N 0.04 0.00 0.56 6.66 4.64 -1.93 -1.60 113.55 121.91 2bd0 h SER 225 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2bd0 h SER 225 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2bd0 h SER 225 CO 0.51 0.00 -0.05 0.08 -0.87 0.00 0.00 176.83 176.50 2bd0 h ARG 226 N 0.00 0.00 -5.78 4.77 0.11 -2.01 -3.44 114.38 108.03 2bd0 h ARG 226 Ca 0.19 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.58 2bd0 h ARG 226 Cb 1.04 0.00 -0.30 0.00 1.11 0.00 0.00 29.97 31.82 2bd0 h ARG 226 CO -0.00 0.05 -0.86 0.99 0.10 0.00 0.00 179.97 180.25 2bd0 s THR 227 N -3.94 2.30 -0.12 0.08 2.01 -0.60 -5.12 115.64 110.25 2bd0 s THR 227 Ca -0.02 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.05 2bd0 s THR 227 Cb 0.11 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.76 2bd0 s THR 227 CO 0.52 0.56 -0.23 0.54 -0.69 0.00 0.00 174.62 175.33 2bd0 s VAL 228 N -0.02 2.07 -0.75 3.82 0.11 -1.26 -4.69 120.40 119.66 2bd0 s VAL 228 Ca -0.07 -1.00 -0.23 0.00 -2.93 0.00 0.00 61.98 57.75 2bd0 s VAL 228 Cb -0.15 -1.81 0.06 0.00 -1.53 0.00 0.00 36.38 32.96 2bd0 s VAL 228 CO 0.05 0.55 1.13 -0.69 -3.33 0.00 0.00 175.10 172.81 2bd0 s VAL 229 N 0.60 4.16 0.18 2.04 1.01 -1.26 -4.87 120.40 122.25 2bd0 s VAL 229 Ca -0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 2bd0 s VAL 229 Cb -0.17 -4.80 0.01 0.00 0.00 0.00 0.00 36.38 31.42 2bd0 s VAL 229 CO 0.03 -1.63 1.57 -0.33 0.00 0.00 0.00 175.10 174.74 2bd0 h GLU 230 N 9.63 0.93 -3.49 2.72 5.08 -1.96 -3.39 114.58 124.11 2bd0 h GLU 230 Ca -0.18 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.60 2bd0 h GLU 230 Cb 1.05 -0.03 -0.25 0.00 0.50 0.00 0.00 28.75 30.02 2bd0 h GLU 230 CO 1.23 1.06 -0.56 -1.21 -1.00 0.00 0.00 179.01 178.52 2bd0 s GLU 231 N -4.64 0.23 -0.10 2.33 2.02 -1.26 -0.51 118.70 116.77 2bd0 s GLU 231 Ca -0.11 -0.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 2bd0 s GLU 231 Cb 0.12 0.10 0.04 0.00 0.10 0.00 0.00 34.13 34.50 2bd0 s GLU 231 CO 0.86 -0.04 0.03 0.42 0.02 0.00 0.00 175.26 176.55 2bd0 s ILE 232 N -0.37 0.27 -0.17 -1.63 1.01 -0.86 -4.96 121.20 114.49 2bd0 s ILE 232 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 2bd0 s ILE 232 Cb -0.03 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 2bd0 s ILE 232 CO 0.00 0.09 -0.04 -0.63 0.00 0.00 0.00 174.94 174.37 2bd0 s ILE 233 N 2.00 3.78 -0.01 2.92 1.01 -1.26 -0.44 121.20 129.20 2bd0 s ILE 233 Ca 0.03 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2bd0 s ILE 233 Cb -0.14 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2bd0 s ILE 233 CO -0.06 0.47 -0.13 -0.76 0.00 0.00 0.00 174.94 174.46 2bd0 s LEU 234 N 0.64 1.99 0.14 2.97 1.02 -0.81 -4.99 118.68 119.64 2bd0 s LEU 234 Ca -0.02 -0.24 -0.06 0.00 0.02 0.00 0.00 54.13 53.83 2bd0 s LEU 234 Cb -0.14 -0.70 -0.02 0.00 0.02 0.00 0.00 46.19 45.35 2bd0 s LEU 234 CO 0.02 0.15 0.18 -0.13 0.02 0.00 0.00 176.35 176.59 2bd0 s ARG 235 N -0.23 1.01 0.52 1.70 0.52 -1.26 -0.28 118.95 120.93 2bd0 s ARG 235 Ca 0.03 -1.24 -0.21 0.00 -0.52 0.00 0.00 55.73 53.79 2bd0 s ARG 235 Cb -0.06 0.32 -0.06 0.00 0.52 0.00 0.00 34.95 35.67 2bd0 s ARG 235 CO -0.00 -0.33 1.18 -2.14 0.02 0.00 0.00 175.30 174.03 2bd0 s PRO 236 N -3.98 3.44 0.54 3.54 0.02 -1.26 -4.87 135.00 132.43 2bd0 s PRO 236 Ca 0.18 1.77 0.22 0.00 0.02 0.00 0.00 61.00 63.19 2bd0 s PRO 236 Cb 0.05 -2.18 1.44 0.00 0.02 0.00 0.00 34.50 33.83 2bd0 s PRO 236 CO -0.01 -0.82 2.11 1.15 -0.33 0.00 0.00 177.00 179.10 2bd0 h THR 237 N 1.45 0.77 -0.00 0.99 2.02 -1.96 -0.11 112.91 116.08 2bd0 h THR 237 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2bd0 h THR 237 Cb 1.27 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2bd0 h THR 237 CO 0.58 0.00 -0.03 -1.54 0.37 0.00 0.00 175.52 174.90 2bd0 n SER 238 N -4.28 0.16 0.00 4.18 3.41 -1.26 -5.03 113.62 110.79 2bd0 n SER 238 Ca 0.01 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2bd0 n SER 238 Cb 0.28 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.21 -2.71 3.77 5.00 0.00 -0.05 -4.95 105.19 107.45 2bd0 n GLY 239 Ca 0.17 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.47 6.45 0.00 1.61 1.01 -1.26 -4.45 116.67 117.56 2bd0 s ASP 240 Ca 0.00 2.61 0.31 0.00 0.71 0.00 0.00 52.55 56.19 2bd0 s ASP 240 Cb 0.00 -2.64 1.75 0.00 1.01 0.00 0.00 42.92 43.04 2bd0 s ASP 240 CO 0.00 -0.75 2.14 2.30 0.21 0.00 0.00 175.17 179.07