#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 3.30 -0.37 2.13 3.76 -0.14 -4.96 115.29 119.01 2bd0 s HIS 3 Ca 0.00 0.24 -0.17 0.00 -0.15 0.00 0.00 55.06 54.98 2bd0 s HIS 3 Cb 0.00 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.37 2bd0 s HIS 3 CO 0.00 0.01 0.45 0.42 -0.85 0.00 0.00 174.74 174.77 2bd0 s ILE 4 N 1.25 5.07 -0.07 0.60 -1.09 -1.26 -0.27 121.20 125.43 2bd0 s ILE 4 Ca 0.09 0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.62 2bd0 s ILE 4 Cb -0.14 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 2bd0 s ILE 4 CO 0.06 -0.25 -0.23 -0.76 -1.23 0.00 0.00 174.94 172.53 2bd0 s LEU 5 N 2.24 2.20 -0.19 2.97 1.02 -0.72 -0.91 118.68 125.29 2bd0 s LEU 5 Ca 0.15 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 2bd0 s LEU 5 Cb -0.16 -1.42 0.01 0.00 0.02 0.00 0.00 46.19 44.64 2bd0 s LEU 5 CO 0.13 0.24 -0.13 -0.22 0.02 0.00 0.00 176.35 176.39 2bd0 s LEU 6 N -0.15 2.48 -0.20 1.79 2.96 0.22 0.10 118.68 125.87 2bd0 s LEU 6 Ca -0.03 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2bd0 s LEU 6 Cb -0.14 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2bd0 s LEU 6 CO 0.04 0.00 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.27 2bd0 s ILE 7 N 1.30 2.24 0.29 6.68 1.01 -0.39 -0.48 121.20 131.84 2bd0 s ILE 7 Ca 0.04 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 2bd0 s ILE 7 Cb -0.14 -2.01 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 2bd0 s ILE 7 CO -0.07 0.44 0.59 0.42 0.00 0.00 0.00 174.94 176.31 2bd0 s THR 8 N 1.29 4.95 -1.20 2.92 -4.23 -0.96 -2.02 115.64 116.39 2bd0 s THR 8 Ca 0.03 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 2bd0 s THR 8 Cb -0.14 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.01 2bd0 s THR 8 CO -0.11 -0.27 0.28 0.61 -0.54 0.00 0.00 174.62 174.59 2bd0 n GLY 9 N -0.72 -0.22 0.00 3.99 0.00 0.79 -3.02 105.19 106.02 2bd0 n GLY 9 Ca -0.00 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.56 2.32 0.15 4.61 0.00 -0.74 -3.82 120.51 120.47 2bd0 n ALA 10 Ca -0.12 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.23 2bd0 n ALA 10 Cb 0.61 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 4.42 0.00 -2.50 0.00 0.00 -1.87 -3.18 103.07 99.95 2bd0 h GLY 11 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 2bd0 h GLY 11 CO 0.00 0.00 -0.60 0.54 0.00 0.00 0.00 176.54 176.48 2bd0 s LYS 12 N -3.02 1.29 0.02 4.80 1.02 -1.25 -4.84 119.74 117.76 2bd0 s LYS 12 Ca 0.04 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.34 2bd0 s LYS 12 Cb 0.08 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 2bd0 s LYS 12 CO 0.74 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2bd0 n GLY 13 N -0.32 2.37 0.19 -3.33 0.00 -1.26 -1.93 105.19 100.91 2bd0 n GLY 13 Ca 0.03 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.14 -0.74 -0.61 2.04 -1.89 -1.57 117.51 115.88 2bd0 h ILE 14 Ca 0.00 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2bd0 h ILE 14 Cb 0.00 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2bd0 h ILE 14 CO 0.00 0.15 0.48 1.23 0.00 0.00 0.00 178.15 180.01 2bd0 h GLY 15 N 0.58 1.05 0.97 5.37 0.00 -1.63 -0.13 103.07 109.28 2bd0 h GLY 15 Ca 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2bd0 h GLY 15 CO -0.03 0.36 0.24 -0.09 0.00 0.00 0.00 176.54 177.01 2bd0 h ARG 16 N 0.98 0.71 -0.60 4.80 2.43 -1.17 -1.99 114.38 119.53 2bd0 h ARG 16 Ca 0.28 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2bd0 h ARG 16 Cb -0.07 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 2bd0 h ARG 16 CO -0.08 0.59 0.21 0.00 -1.51 0.00 0.00 179.97 179.19 2bd0 h ALA 17 N 1.08 1.26 -0.44 2.80 0.00 -0.68 -1.94 119.26 121.33 2bd0 h ALA 17 Ca 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2bd0 h ALA 17 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2bd0 h ALA 17 CO -0.02 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.53 2bd0 h ILE 18 N 0.86 1.27 -0.06 0.00 5.03 -0.76 -1.06 117.51 122.79 2bd0 h ILE 18 Ca 0.20 -1.14 0.01 0.00 -0.12 0.00 0.00 64.86 63.82 2bd0 h ILE 18 Cb 0.21 1.10 -0.01 0.00 -3.03 0.00 0.00 36.82 35.09 2bd0 h ILE 18 CO -0.01 0.39 -0.01 0.00 -0.68 0.00 0.00 178.15 177.83 2bd0 h ALA 19 N 0.89 0.04 -0.73 1.87 0.00 -1.01 -1.25 119.26 119.07 2bd0 h ALA 19 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2bd0 h ALA 19 Cb 0.57 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2bd0 h ALA 19 CO 0.03 -0.49 0.31 -0.07 0.00 0.00 0.00 179.25 179.03 2bd0 h LEU 20 N 0.00 0.98 -0.71 0.00 3.38 -1.26 -1.61 115.31 116.08 2bd0 h LEU 20 Ca 0.03 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2bd0 h LEU 20 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2bd0 h LEU 20 CO -0.06 0.85 0.01 -0.08 0.09 0.00 0.00 178.44 179.25 2bd0 h GLU 21 N 1.05 1.00 -0.56 1.13 4.57 -0.90 0.09 114.58 120.96 2bd0 h GLU 21 Ca 0.25 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2bd0 h GLU 21 Cb 0.17 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2bd0 h GLU 21 CO -0.03 0.98 0.13 0.74 -1.18 0.00 0.00 179.01 179.65 2bd0 h PHE 22 N 0.92 0.95 -0.44 0.92 0.04 -0.88 0.90 116.94 119.35 2bd0 h PHE 22 Ca 0.17 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 2bd0 h PHE 22 Cb 0.52 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2bd0 h PHE 22 CO 0.03 0.82 0.26 0.00 -0.60 0.00 0.00 178.31 178.83 2bd0 h ALA 23 N 1.01 0.56 -0.25 2.45 0.00 -0.93 -1.99 119.26 120.11 2bd0 h ALA 23 Ca 0.17 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2bd0 h ALA 23 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2bd0 h ALA 23 CO 0.00 0.06 -0.36 0.00 0.00 0.00 0.00 179.25 178.95 2bd0 h ARG 24 N 0.58 0.54 -0.51 0.00 3.08 -0.78 -2.74 114.38 114.56 2bd0 h ARG 24 Ca 0.16 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 2bd0 h ARG 24 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2bd0 h ARG 24 CO -0.03 0.82 0.07 0.00 -1.07 0.00 0.00 179.97 179.76 2bd0 h ALA 25 N 1.16 1.17 -0.23 0.04 0.00 -0.53 -2.56 119.26 118.31 2bd0 h ALA 25 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2bd0 h ALA 25 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2bd0 h ALA 25 CO 0.07 0.55 -0.38 0.00 0.00 0.00 0.00 179.25 179.49 2bd0 h ALA 26 N 1.31 0.92 0.00 0.00 0.00 -1.22 0.69 119.26 120.96 2bd0 h ALA 26 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2bd0 h ALA 26 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bd0 h ALA 26 CO 0.01 0.63 0.00 -0.09 0.00 0.00 0.00 179.25 179.80 2bd0 h ARG 27 N 0.43 0.00 -0.00 0.00 2.43 -1.16 -2.51 114.38 113.57 2bd0 h ARG 27 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2bd0 h ARG 27 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2bd0 h ARG 27 CO 0.07 0.00 -0.01 0.72 -1.51 0.00 0.00 179.97 179.24 2bd0 n HIS 28 N -2.70 0.00 -3.80 2.20 8.25 -1.00 -4.83 115.22 113.33 2bd0 n HIS 28 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 2bd0 n HIS 28 Cb 0.14 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 2bd0 n HIS 28 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2bd0 n HIS 29 N -0.30 2.57 -0.33 4.41 -0.00 0.20 -5.01 115.22 116.77 2bd0 n HIS 29 Ca 0.00 -4.14 -0.03 0.00 -0.00 0.00 0.00 57.72 53.54 2bd0 n HIS 29 Cb 0.01 -0.48 -0.00 0.00 -0.00 0.00 0.00 29.99 29.52 2bd0 n HIS 29 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2bd0 n PRO 30 N 2.06 -0.25 0.15 1.57 -0.02 -1.26 0.19 135.00 137.45 2bd0 n PRO 30 Ca 0.22 1.27 0.10 0.00 -2.02 0.00 0.00 63.50 63.07 2bd0 n PRO 30 Cb 0.37 -1.88 0.53 0.00 -0.02 0.00 0.00 33.50 32.50 2bd0 n PRO 30 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2bd0 n ASP 31 N -5.17 0.50 -4.39 2.55 8.00 -1.26 -4.36 116.55 112.42 2bd0 n ASP 31 Ca 0.06 0.72 -0.44 0.00 0.71 0.00 0.00 54.79 55.85 2bd0 n ASP 31 Cb 0.30 -0.77 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 2bd0 n ASP 31 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2bd0 s PHE 32 N -3.49 3.25 -0.47 1.24 5.36 0.13 -5.00 117.98 119.01 2bd0 s PHE 32 Ca -0.02 -0.91 0.04 0.00 -0.96 0.00 0.00 56.93 55.07 2bd0 s PHE 32 Cb 0.06 -3.00 0.12 0.00 -0.34 0.00 0.00 43.02 39.86 2bd0 s PHE 32 CO 0.18 -0.75 0.20 -2.00 -1.46 0.00 0.00 175.22 171.39 2bd0 s GLU 33 N 1.63 1.83 0.29 10.12 2.12 -1.26 -4.62 118.70 128.81 2bd0 s GLU 33 Ca 0.04 -2.42 -0.06 0.00 0.36 0.00 0.00 54.97 52.90 2bd0 s GLU 33 Cb -0.23 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 2bd0 s GLU 33 CO 0.07 -1.06 0.56 -1.25 -0.54 0.00 0.00 175.26 173.04 2bd0 s PRO 34 N 0.04 3.65 -0.28 4.30 0.04 -1.26 -0.96 135.00 140.52 2bd0 s PRO 34 Ca 0.15 0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.21 2bd0 s PRO 34 Cb -0.24 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.69 2bd0 s PRO 34 CO -0.02 0.21 0.01 0.08 0.04 0.00 0.00 177.00 177.32 2bd0 s VAL 35 N -2.07 3.30 -0.56 -0.36 1.01 0.63 -3.55 120.40 118.81 2bd0 s VAL 35 Ca 0.45 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2bd0 s VAL 35 Cb -0.11 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.59 2bd0 s VAL 35 CO 0.29 0.06 0.76 -0.76 0.00 0.00 0.00 175.10 175.45 2bd0 s LEU 36 N 1.37 4.79 -0.42 3.92 1.43 0.23 -1.75 118.68 128.25 2bd0 s LEU 36 Ca -0.01 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 51.93 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 -0.01 -1.10 0.77 -0.69 0.23 0.00 0.00 176.35 175.54 2bd0 s VAL 37 N 3.15 4.70 -0.14 -1.59 1.01 0.11 -1.38 120.40 126.27 2bd0 s VAL 37 Ca 0.18 0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 2bd0 s VAL 37 Cb -0.19 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2bd0 s VAL 37 CO 0.12 -0.60 -0.01 -0.76 0.00 0.00 0.00 175.10 173.85 2bd0 s LEU 38 N 3.17 3.45 0.01 3.92 1.43 0.45 -1.27 118.68 129.85 2bd0 s LEU 38 Ca 0.30 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2bd0 s LEU 38 Cb -0.13 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2bd0 s LEU 38 CO 0.20 0.24 0.02 -0.55 0.23 0.00 0.00 176.35 176.50 2bd0 s SER 39 N -0.07 0.14 0.11 2.29 0.15 -0.86 -1.11 113.70 114.35 2bd0 s SER 39 Ca 0.03 -0.32 -0.24 0.00 0.70 0.00 0.00 55.95 56.12 2bd0 s SER 39 Cb -0.13 0.12 0.08 0.00 -1.71 0.00 0.00 66.02 64.39 2bd0 s SER 39 CO 0.02 -0.26 1.13 -0.94 1.20 0.00 0.00 173.24 174.39 2bd0 s SER 40 N -1.17 0.01 0.00 5.45 1.04 -1.24 -0.15 113.70 117.65 2bd0 s SER 40 Ca -0.13 -0.51 0.28 0.00 0.48 0.00 0.00 55.95 56.07 2bd0 s SER 40 Cb -0.08 0.37 1.10 0.00 0.10 0.00 0.00 66.02 67.51 2bd0 s SER 40 CO -0.00 -0.74 1.81 0.54 0.98 0.00 0.00 173.24 175.83 2bd0 n ARG 41 N -0.79 0.18 -3.96 4.02 1.74 -1.23 -1.32 116.66 115.30 2bd0 n ARG 41 Ca -0.00 -0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 2bd0 n ARG 41 Cb 0.59 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.85 2.60 0.22 0.55 2.01 -1.26 -4.83 115.64 112.09 2bd0 s THR 42 Ca 0.18 -1.87 -0.07 0.00 0.31 0.00 0.00 61.69 60.23 2bd0 s THR 42 Cb 0.19 -2.69 0.18 0.00 0.01 0.00 0.00 72.50 70.19 2bd0 s THR 42 CO 0.55 -0.34 1.73 0.00 -0.69 0.00 0.00 174.62 175.86 2bd0 h ALA 43 N 7.82 0.88 -0.98 7.40 0.00 -1.98 -1.35 119.26 131.06 2bd0 h ALA 43 Ca -0.14 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.00 2bd0 h ALA 43 Cb 1.04 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2bd0 h ALA 43 CO 0.54 -0.23 0.61 0.00 0.00 0.00 0.00 179.25 180.17 2bd0 h ALA 44 N 1.49 1.48 -0.48 0.00 0.00 -2.00 0.13 119.26 119.88 2bd0 h ALA 44 Ca 0.35 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2bd0 h ALA 44 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2bd0 h ALA 44 CO -0.38 0.20 -0.01 -0.44 0.00 0.00 0.00 179.25 178.63 2bd0 h ASP 45 N 0.96 0.83 -0.68 0.00 3.32 -1.60 -2.69 116.42 116.55 2bd0 h ASP 45 Ca 0.49 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2bd0 h ASP 45 Cb 0.49 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2bd0 h ASP 45 CO -0.27 0.94 0.23 -0.07 -1.72 0.00 0.00 179.24 178.35 2bd0 h LEU 46 N 0.70 1.00 -0.72 1.55 3.38 -0.83 -1.76 115.31 118.62 2bd0 h LEU 46 Ca 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2bd0 h LEU 46 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2bd0 h LEU 46 CO 0.03 0.92 0.40 -0.33 0.09 0.00 0.00 178.44 179.55 2bd0 h GLU 47 N 1.03 1.01 -0.02 1.13 5.08 -0.89 0.75 114.58 122.67 2bd0 h GLU 47 Ca 0.23 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2bd0 h GLU 47 Cb 0.28 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2bd0 h GLU 47 CO -0.01 0.75 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.53 2bd0 h LYS 48 N 1.00 0.03 -0.16 2.33 3.64 -1.15 -1.95 116.57 120.31 2bd0 h LYS 48 Ca 0.26 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2bd0 h LYS 48 Cb 0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2bd0 h LYS 48 CO -0.04 0.41 -0.37 0.97 -2.27 0.00 0.00 179.45 178.14 2bd0 h ILE 49 N -0.35 1.30 -0.52 2.00 2.10 -1.29 -1.95 117.51 118.80 2bd0 h ILE 49 Ca 0.00 -1.46 0.01 0.00 1.08 0.00 0.00 64.86 64.50 2bd0 h ILE 49 Cb 0.40 1.58 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 2bd0 h ILE 49 CO 0.00 0.45 0.33 -1.28 -1.08 0.00 0.00 178.15 176.57 2bd0 h SER 50 N 0.29 0.55 -0.46 2.19 0.87 -0.82 0.22 113.55 116.40 2bd0 h SER 50 Ca 0.03 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2bd0 h SER 50 Cb 0.79 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2bd0 h SER 50 CO 0.06 0.39 0.22 0.25 -0.53 0.00 0.00 176.83 177.23 2bd0 h LEU 51 N 0.66 0.59 -1.07 2.23 5.85 -1.05 -0.95 115.31 121.58 2bd0 h LEU 51 Ca 0.20 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2bd0 h LEU 51 Cb -0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2bd0 h LEU 51 CO -0.07 0.55 0.36 -0.33 -0.34 0.00 0.00 178.44 178.61 2bd0 h GLU 52 N 0.59 1.01 -0.22 1.25 5.08 -0.82 -0.38 114.58 121.09 2bd0 h GLU 52 Ca 0.16 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2bd0 h GLU 52 Cb 0.11 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2bd0 h GLU 52 CO -0.02 0.77 -0.57 0.00 -1.00 0.00 0.00 179.01 178.19 2bd0 h ARG 54 N 0.53 0.00 0.00 0.00 3.08 -0.83 -1.73 114.38 115.43 2bd0 h ARG 54 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2bd0 h ARG 54 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 2bd0 h ARG 54 CO 0.12 0.37 -0.09 0.00 -1.07 0.00 0.00 179.97 179.30 2bd0 h ALA 55 N 1.63 1.26 -0.00 0.04 0.00 -0.85 0.66 119.26 122.00 2bd0 h ALA 55 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bd0 h ALA 55 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2bd0 h ALA 55 CO 0.05 0.11 -0.33 0.39 0.00 0.00 0.00 179.25 179.47 2bd0 n GLU 56 N -3.57 0.36 -0.05 0.00 -0.58 -0.70 -4.93 120.64 111.17 2bd0 n GLU 56 Ca -0.02 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2bd0 n GLU 56 Cb 0.21 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.42 0.96 3.87 0.62 0.00 0.22 -4.64 105.19 107.65 2bd0 n GLY 57 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 3.69 0.30 4.61 0.00 -0.92 -4.99 121.76 122.44 2bd0 s ALA 58 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.33 2bd0 s ALA 58 Cb 0.00 -2.31 -0.10 0.00 0.00 0.00 0.00 23.12 20.72 2bd0 s ALA 58 CO 0.00 0.56 0.95 -0.51 0.00 0.00 0.00 175.76 176.76 2bd0 s LEU 59 N -2.21 4.44 0.17 0.00 1.43 -1.23 -3.85 118.68 117.43 2bd0 s LEU 59 Ca 0.38 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 55.38 2bd0 s LEU 59 Cb -0.13 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 2bd0 s LEU 59 CO 0.20 -0.01 -0.01 0.42 0.23 0.00 0.00 176.35 177.18 2bd0 s THR 60 N -1.47 0.77 -0.25 5.49 -4.23 -1.26 -0.60 115.64 114.08 2bd0 s THR 60 Ca 0.47 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 2bd0 s THR 60 Cb -0.21 -2.09 0.14 0.00 1.34 0.00 0.00 72.50 71.68 2bd0 s THR 60 CO 0.27 -0.51 0.44 -0.62 -0.54 0.00 0.00 174.62 173.66 2bd0 s ASP 61 N -3.18 -0.24 -0.10 3.99 -1.08 -0.48 -4.87 116.67 110.72 2bd0 s ASP 61 Ca 0.23 0.53 -0.11 0.00 -0.52 0.00 0.00 52.55 52.68 2bd0 s ASP 61 Cb 0.06 1.42 -0.05 0.00 -1.46 0.00 0.00 42.92 42.89 2bd0 s ASP 61 CO 0.04 -0.28 0.25 0.42 0.52 0.00 0.00 175.17 176.11 2bd0 s THR 62 N 2.64 5.32 -0.11 1.71 -4.23 -1.26 -0.41 115.64 119.30 2bd0 s THR 62 Ca 0.12 0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 2bd0 s THR 62 Cb -0.15 -3.54 0.05 0.00 1.34 0.00 0.00 72.50 70.20 2bd0 s THR 62 CO -0.17 0.55 0.14 -0.51 -0.54 0.00 0.00 174.62 174.10 2bd0 s ILE 63 N -0.64 -0.22 -0.13 2.99 2.07 -0.27 -4.95 121.20 120.05 2bd0 s ILE 63 Ca 0.17 0.23 -0.29 0.00 -1.41 0.00 0.00 60.65 59.35 2bd0 s ILE 63 Cb -0.13 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.08 2bd0 s ILE 63 CO 0.06 0.05 1.07 -0.89 -1.91 0.00 0.00 174.94 173.32 2bd0 s THR 64 N 2.26 4.61 -0.14 4.00 2.01 -1.26 -3.72 115.64 123.41 2bd0 s THR 64 Ca 0.04 1.91 -0.24 0.00 0.31 0.00 0.00 61.69 63.71 2bd0 s THR 64 Cb -0.13 -4.23 0.06 0.00 0.01 0.00 0.00 72.50 68.21 2bd0 s THR 64 CO -0.07 -0.05 0.60 0.00 -0.69 0.00 0.00 174.62 174.42 2bd0 s ALA 65 N 2.41 -1.53 -0.39 7.40 0.00 -0.44 -4.95 121.76 124.27 2bd0 s ALA 65 Ca 0.49 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.81 2bd0 s ALA 65 Cb -0.19 -0.51 0.08 0.00 0.00 0.00 0.00 23.12 22.49 2bd0 s ALA 65 CO 0.16 -0.32 0.19 0.34 0.00 0.00 0.00 175.76 176.13 2bd0 s ASP 66 N -0.43 5.40 0.00 0.00 -1.08 -1.26 -3.50 116.67 115.79 2bd0 s ASP 66 Ca -0.06 -1.54 0.08 0.00 -0.52 0.00 0.00 52.55 50.52 2bd0 s ASP 66 Cb -0.03 -1.89 0.41 0.00 -1.46 0.00 0.00 42.92 39.95 2bd0 s ASP 66 CO 0.05 -0.47 1.18 2.30 0.52 0.00 0.00 175.17 178.75 2bd0 n ILE 67 N 4.78 0.99 0.82 4.11 -0.00 -1.26 -0.95 119.36 127.86 2bd0 n ILE 67 Ca -0.09 0.25 0.13 0.00 -0.00 0.00 0.00 62.75 63.04 2bd0 n ILE 67 Cb 0.43 -1.11 0.48 0.00 -0.00 0.00 0.00 39.64 39.44 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 -1.35 0.41 -4.47 7.28 3.41 -1.26 -3.77 113.62 113.88 2bd0 n SER 68 Ca 0.03 0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 2bd0 n SER 68 Cb 0.08 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 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 -3.71 6.05 0.56 4.04 3.68 -0.12 -4.87 116.67 122.30 2bd0 s ASP 69 Ca 0.12 -0.80 0.26 0.00 2.13 0.00 0.00 52.55 54.26 2bd0 s ASP 69 Cb 0.16 -2.14 1.49 0.00 -1.45 0.00 0.00 42.92 40.98 2bd0 s ASP 69 CO 0.58 -0.39 2.04 0.24 0.13 0.00 0.00 175.17 177.77 2bd0 h MET 70 N 8.57 0.00 -0.65 4.34 2.86 -1.83 0.56 114.93 128.78 2bd0 h MET 70 Ca -0.28 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 2bd0 h MET 70 Cb 1.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 2bd0 h MET 70 CO 0.70 0.00 0.09 0.00 1.06 0.00 0.00 176.91 178.76 2bd0 h ALA 71 N 1.75 0.91 -0.10 6.32 0.00 -1.92 -1.52 119.26 124.71 2bd0 h ALA 71 Ca 0.15 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2bd0 h ALA 71 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bd0 h ALA 71 CO -0.00 0.67 -0.60 -0.44 0.00 0.00 0.00 179.25 178.87 2bd0 h ASP 72 N 1.02 0.37 -0.87 0.00 3.32 -1.15 -1.56 116.42 117.55 2bd0 h ASP 72 Ca 0.20 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2bd0 h ASP 72 Cb 0.46 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2bd0 h ASP 72 CO 0.02 0.88 0.49 0.58 -1.72 0.00 0.00 179.24 179.49 2bd0 h VAL 73 N 0.24 1.25 -0.62 -1.35 2.07 -1.04 0.44 116.25 117.24 2bd0 h VAL 73 Ca -0.01 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2bd0 h VAL 73 Cb 1.12 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2bd0 h VAL 73 CO 0.10 0.28 0.20 -0.09 0.02 0.00 0.00 177.57 178.08 2bd0 h ARG 74 N 1.21 0.97 -0.52 1.57 9.65 -0.97 -1.83 114.38 124.45 2bd0 h ARG 74 Ca 0.31 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2bd0 h ARG 74 Cb 0.01 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 2bd0 h ARG 74 CO -0.05 0.85 0.09 -0.09 2.80 0.00 0.00 179.97 183.57 2bd0 h ARG 75 N 0.89 0.86 -0.24 0.20 2.43 -0.59 -0.28 114.38 117.65 2bd0 h ARG 75 Ca 0.20 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2bd0 h ARG 75 Cb 0.28 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2bd0 h ARG 75 CO -0.01 0.84 0.16 -0.07 -1.51 0.00 0.00 179.97 179.38 2bd0 h LEU 76 N 0.74 0.27 -0.03 3.80 3.38 -0.75 0.82 115.31 123.54 2bd0 h LEU 76 Ca 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bd0 h LEU 76 Cb 0.39 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2bd0 h LEU 76 CO 0.01 0.19 0.02 0.74 0.09 0.00 0.00 178.44 179.49 2bd0 h THR 77 N 0.32 1.03 -0.73 0.22 2.02 -1.17 -2.15 112.91 112.45 2bd0 h THR 77 Ca 0.09 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.22 2bd0 h THR 77 Cb -0.03 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 2bd0 h THR 77 CO -0.02 0.03 0.48 0.74 0.37 0.00 0.00 175.52 177.11 2bd0 h THR 78 N 0.02 1.11 0.00 3.16 2.02 -0.82 -0.75 112.91 117.65 2bd0 h THR 78 Ca 0.01 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2bd0 h THR 78 Cb 0.02 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2bd0 h THR 78 CO -0.00 0.16 -0.00 -0.74 0.37 0.00 0.00 175.52 175.31 2bd0 h HIS 79 N 0.88 -0.00 -0.28 3.16 6.17 -0.41 0.41 115.15 125.08 2bd0 h HIS 79 Ca 0.29 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.36 2bd0 h HIS 79 Cb 0.05 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 29.97 2bd0 h HIS 79 CO -0.00 0.05 0.15 0.82 0.71 0.00 0.00 177.93 179.67 2bd0 h ILE 80 N -0.06 1.13 -0.19 6.26 2.04 -0.83 -0.28 117.51 125.58 2bd0 h ILE 80 Ca -0.00 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2bd0 h ILE 80 Cb 0.06 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2bd0 h ILE 80 CO 0.00 0.13 0.10 0.58 0.00 0.00 0.00 178.15 178.96 2bd0 h VAL 81 N 0.33 1.10 0.08 1.67 2.07 -1.00 0.46 116.25 120.96 2bd0 h VAL 81 Ca 0.10 -0.27 -0.25 0.00 0.82 0.00 0.00 66.70 67.10 2bd0 h VAL 81 Cb 0.07 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2bd0 h VAL 81 CO -0.02 0.10 -1.13 -0.33 0.02 0.00 0.00 177.57 176.21 2bd0 h GLU 82 N 0.20 0.21 0.00 1.57 5.08 -0.89 -2.35 114.58 118.40 2bd0 h GLU 82 Ca 0.07 -0.33 -0.21 0.00 -1.00 0.00 0.00 59.36 57.88 2bd0 h GLU 82 Cb 0.06 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2bd0 h GLU 82 CO -0.01 1.14 -1.60 0.54 -1.00 0.00 0.00 179.01 178.07 2bd0 n ARG 83 N -3.52 0.63 0.00 2.33 5.12 -0.12 -4.69 116.66 116.42 2bd0 n ARG 83 Ca -0.06 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 2bd0 n ARG 83 Cb 0.97 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 2bd0 n ARG 83 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2bd0 n TYR 84 N -2.88 0.00 -1.17 -1.55 4.02 -0.27 -5.02 117.16 110.29 2bd0 n TYR 84 Ca -0.13 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.70 2bd0 n TYR 84 Cb 0.91 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.20 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 2.53 0.63 3.55 2.72 0.00 0.14 -4.91 105.19 109.86 2bd0 n GLY 85 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.66 -0.70 -0.04 1.61 5.65 -1.26 -4.97 115.29 113.93 2bd0 s HIS 86 Ca 0.00 1.39 -0.01 0.00 0.25 0.00 0.00 55.06 56.68 2bd0 s HIS 86 Cb 0.00 0.36 0.03 0.00 -1.18 0.00 0.00 32.58 31.79 2bd0 s HIS 86 CO 0.00 -0.53 0.06 -1.50 -0.65 0.00 0.00 174.74 172.12 2bd0 s ILE 87 N -0.68 -0.09 -0.15 0.89 1.10 -1.26 -4.84 121.20 116.17 2bd0 s ILE 87 Ca -0.07 0.31 0.18 0.00 -0.51 0.00 0.00 60.65 60.56 2bd0 s ILE 87 Cb -0.02 -0.13 -0.26 0.00 0.15 0.00 0.00 42.46 42.20 2bd0 s ILE 87 CO 0.07 0.13 0.25 0.47 -2.11 0.00 0.00 174.94 173.75 2bd0 n ASP 88 N 4.70 0.12 -3.71 4.50 8.00 -0.09 -4.74 116.55 125.34 2bd0 n ASP 88 Ca -0.17 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 2bd0 n ASP 88 Cb 0.50 1.06 -0.11 0.00 -0.02 0.00 0.00 41.12 42.55 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 1.17 2.08 -0.45 0.00 2.96 -0.39 -0.61 118.68 123.42 2bd0 s LEU 90 Ca -0.08 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 2bd0 s LEU 90 Cb -0.08 -1.42 0.12 0.00 0.50 0.00 0.00 46.19 45.31 2bd0 s LEU 90 CO -0.10 0.05 0.28 -0.69 -1.32 0.00 0.00 176.35 174.58 2bd0 s VAL 91 N 0.96 3.68 -1.21 1.68 1.01 0.36 -0.35 120.40 126.53 2bd0 s VAL 91 Ca -0.04 -2.04 -0.20 0.00 0.00 0.00 0.00 61.98 59.71 2bd0 s VAL 91 Cb -0.15 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2bd0 s VAL 91 CO -0.05 -0.74 1.69 0.20 0.00 0.00 0.00 175.10 176.20 2bd0 s ASN 92 N 2.05 6.57 -0.22 3.32 0.01 0.52 -2.28 114.94 124.90 2bd0 s ASN 92 Ca 0.08 -2.10 0.12 0.00 -0.71 0.00 0.00 52.86 50.25 2bd0 s ASN 92 Cb -0.24 -2.58 -0.22 0.00 0.41 0.00 0.00 41.25 38.63 2bd0 s ASN 92 CO -0.03 -1.45 -0.04 -3.20 -1.51 0.00 0.00 177.10 170.88 2bd0 n ASN 93 N 9.15 0.73 -4.59 -1.22 5.15 -1.25 -1.93 115.26 121.30 2bd0 n ASN 93 Ca 0.45 -0.05 -0.51 0.00 -0.60 0.00 0.00 54.58 53.86 2bd0 n ASN 93 Cb 0.47 0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 40.14 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 -2.94 -0.81 -3.54 5.20 0.00 -1.17 -4.87 120.51 112.39 2bd0 n ALA 94 Ca -0.38 0.51 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 2bd0 n ALA 94 Cb 1.10 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 0.47 -0.40 0.21 0.00 0.00 -1.26 -4.77 107.32 101.57 2bd0 s GLY 95 Ca 0.83 1.29 0.02 0.00 0.00 0.00 0.00 44.72 46.85 2bd0 s GLY 95 CO 0.47 0.47 0.04 -1.34 0.00 0.00 0.00 173.10 172.74 2bd0 s VAL 96 N -2.71 0.62 -0.09 1.40 -7.23 -1.26 -5.04 120.40 106.10 2bd0 s VAL 96 Ca 0.05 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.17 2bd0 s VAL 96 Cb -0.01 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.62 2bd0 s VAL 96 CO -0.07 -0.27 0.22 -0.83 -0.31 0.00 0.00 175.10 173.84 2bd0 s GLY 97 N -3.23 -0.14 -0.21 2.32 0.00 -1.26 -4.91 107.32 99.89 2bd0 s GLY 97 Ca 0.30 0.76 0.01 0.00 0.00 0.00 0.00 44.72 45.79 2bd0 s GLY 97 CO 0.08 0.86 -0.07 0.50 0.00 0.00 0.00 173.10 174.47 2bd0 s ARG 98 N 0.69 1.73 0.19 2.90 1.81 -1.26 -5.08 118.95 119.93 2bd0 s ARG 98 Ca -0.05 -0.86 0.08 0.00 -1.72 0.00 0.00 55.73 53.19 2bd0 s ARG 98 Cb -0.06 -2.43 -0.04 0.00 -0.45 0.00 0.00 34.95 31.97 2bd0 s ARG 98 CO -0.04 -0.51 -0.04 -0.06 -0.68 0.00 0.00 175.30 173.97 2bd0 s PHE 99 N 1.44 2.74 0.00 -0.53 0.40 -1.26 -4.48 117.98 116.28 2bd0 s PHE 99 Ca -0.03 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 2bd0 s PHE 99 Cb -0.17 -1.31 0.00 0.00 0.51 0.00 0.00 43.02 42.05 2bd0 s PHE 99 CO -0.07 0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.79 2bd0 n GLY 100 N -0.20 1.55 3.75 4.36 0.00 -0.71 -5.02 105.19 108.92 2bd0 n GLY 100 Ca -0.09 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 2bd0 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 s ALA 101 N -2.00 2.88 0.25 4.61 0.00 -1.26 -4.34 121.76 121.89 2bd0 s ALA 101 Ca 0.00 1.29 -0.10 0.00 0.00 0.00 0.00 51.96 53.14 2bd0 s ALA 101 Cb 0.00 -3.54 0.36 0.00 0.00 0.00 0.00 23.12 19.93 2bd0 s ALA 101 CO 0.00 -1.25 1.59 1.25 0.00 0.00 0.00 175.76 177.35 2bd0 h LEU 102 N 1.62 -0.75 -1.27 0.00 5.85 -1.94 0.62 115.31 119.44 2bd0 h LEU 102 Ca -0.51 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2bd0 h LEU 102 Cb 1.29 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.82 2bd0 h LEU 102 CO 0.58 -0.27 0.00 0.77 -0.34 0.00 0.00 178.44 179.18 2bd0 h SER 103 N 0.00 0.00 0.38 1.25 4.64 -1.99 -3.07 113.55 114.76 2bd0 h SER 103 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2bd0 h SER 103 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2bd0 h SER 103 CO -0.84 0.00 -0.87 0.47 -0.87 0.00 0.00 176.83 174.72 2bd0 n ASP 104 N -2.62 0.65 -4.75 4.97 8.00 0.20 -4.94 116.55 118.06 2bd0 n ASP 104 Ca 0.01 -0.36 -0.41 0.00 0.71 0.00 0.00 54.79 54.74 2bd0 n ASP 104 Cb 0.22 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 41.96 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 -3.51 4.46 0.44 0.64 1.43 -1.15 -4.97 118.68 116.03 2bd0 s LEU 105 Ca 0.07 2.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.64 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 0.78 -0.39 0.37 0.42 0.23 0.00 0.00 176.35 177.76 2bd0 s THR 106 N -0.54 2.49 0.32 5.49 -4.23 -1.26 -5.00 115.64 112.91 2bd0 s THR 106 Ca 0.51 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2bd0 s THR 106 Cb -0.35 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 70.80 2bd0 s THR 106 CO 0.42 0.00 1.90 -0.08 -0.54 0.00 0.00 174.62 176.32 2bd0 h GLU 107 N 1.01 0.76 -0.66 3.99 4.81 -1.99 -1.18 114.58 121.32 2bd0 h GLU 107 Ca -0.41 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 58.63 2bd0 h GLU 107 Cb 1.27 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2bd0 h GLU 107 CO 0.58 0.64 0.11 1.49 -0.73 0.00 0.00 179.01 181.10 2bd0 h GLU 108 N 0.75 1.09 -0.71 1.92 4.22 -1.99 0.14 114.58 120.01 2bd0 h GLU 108 Ca 0.18 -0.29 -0.03 0.00 0.08 0.00 0.00 59.36 59.31 2bd0 h GLU 108 Cb 0.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2bd0 h GLU 108 CO -0.01 1.00 0.34 -0.44 -2.18 0.00 0.00 179.01 177.71 2bd0 h ASP 109 N 1.02 0.93 0.25 1.04 3.32 -1.72 -0.05 116.42 121.20 2bd0 h ASP 109 Ca 0.20 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2bd0 h ASP 109 Cb 0.43 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2bd0 h ASP 109 CO 0.01 0.80 -0.12 0.15 -1.72 0.00 0.00 179.24 178.37 2bd0 h PHE 110 N 0.99 -0.31 -0.52 4.55 3.04 -0.73 -2.14 116.94 121.82 2bd0 h PHE 110 Ca 0.24 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.19 2bd0 h PHE 110 Cb 0.12 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 2bd0 h PHE 110 CO 0.01 -0.01 0.34 -0.44 -2.02 0.00 0.00 178.31 176.19 2bd0 h ASP 111 N -0.61 0.58 -0.58 0.41 3.32 -0.65 -1.14 116.42 117.76 2bd0 h ASP 111 Ca -0.03 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2bd0 h ASP 111 Cb 0.44 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2bd0 h ASP 111 CO 0.06 0.42 0.36 0.22 -1.72 0.00 0.00 179.24 178.57 2bd0 h TYR 112 N 0.69 0.67 0.12 4.55 3.20 -1.03 -0.15 116.97 125.02 2bd0 h TYR 112 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2bd0 h TYR 112 Cb -0.06 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 37.99 2bd0 h TYR 112 CO -0.04 0.39 -0.06 1.15 -1.64 0.00 0.00 178.16 177.96 2bd0 h THR 113 N 0.71 1.03 -0.36 1.81 2.02 -1.09 -3.26 112.91 113.76 2bd0 h THR 113 Ca 0.23 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 2bd0 h THR 113 Cb -0.00 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2bd0 h THR 113 CO -0.09 0.15 -0.24 0.24 0.37 0.00 0.00 175.52 175.95 2bd0 h MET 114 N -0.47 0.72 -0.43 6.66 2.86 -1.11 -1.15 114.93 122.01 2bd0 h MET 114 Ca -0.02 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2bd0 h MET 114 Cb 0.38 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2bd0 h MET 114 CO 0.03 0.89 0.29 -0.91 1.06 0.00 0.00 176.91 178.27 2bd0 h ASN 115 N 0.63 0.35 0.00 1.22 -0.26 -1.10 -0.04 115.58 116.38 2bd0 h ASN 115 Ca 0.09 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2bd0 h ASN 115 Cb 0.74 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 2bd0 h ASN 115 CO 0.06 0.23 -0.66 0.41 -1.06 0.00 0.00 177.43 176.41 2bd0 n THR 116 N -4.48 1.40 -0.36 2.81 -1.04 -1.17 -1.18 114.28 110.25 2bd0 n THR 116 Ca 0.05 0.20 0.01 0.00 -2.04 0.00 0.00 64.05 62.28 2bd0 n THR 116 Cb 0.21 -2.35 0.16 0.00 -1.82 0.00 0.00 70.33 66.53 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 -0.96 1.03 0.00 8.00 -0.26 -1.28 -2.91 115.58 119.20 2bd0 h ASN 117 Ca 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.57 2bd0 h ASN 117 Cb 0.66 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.68 2bd0 h ASN 117 CO 0.00 0.68 -1.45 0.18 -1.06 0.00 0.00 177.43 175.78 2bd0 n LEU 118 N -4.50 1.60 0.40 1.61 4.77 -0.55 -4.41 117.00 115.92 2bd0 n LEU 118 Ca 0.14 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 2bd0 n LEU 118 Cb 0.15 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2bd0 n LEU 118 CO 0.33 0.01 0.46 0.50 -1.33 0.00 0.00 177.39 177.37 2bd0 h LYS 119 N -0.75 -1.00 -0.72 3.23 3.64 -1.16 -0.54 116.57 119.27 2bd0 h LYS 119 Ca -0.26 0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2bd0 h LYS 119 Cb 1.10 0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 2bd0 h LYS 119 CO -0.16 -0.66 0.47 0.78 -2.27 0.00 0.00 179.45 177.61 2bd0 h GLY 120 N -1.22 1.03 1.03 5.01 0.00 -1.18 -1.68 103.07 106.06 2bd0 h GLY 120 Ca -0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2bd0 h GLY 120 CO 0.17 0.32 0.48 -0.84 0.00 0.00 0.00 176.54 176.67 2bd0 h THR 121 N 0.93 1.26 0.11 4.70 2.02 -1.52 -1.22 112.91 119.18 2bd0 h THR 121 Ca 0.28 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2bd0 h THR 121 Cb -0.04 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2bd0 h THR 121 CO -0.09 0.29 -0.05 0.15 0.37 0.00 0.00 175.52 176.19 2bd0 h PHE 122 N 1.23 -0.14 -0.00 3.16 3.57 -0.59 -2.09 116.94 122.08 2bd0 h PHE 122 Ca 0.31 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 2bd0 h PHE 122 Cb 0.04 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2bd0 h PHE 122 CO 0.01 0.18 -0.41 0.74 -2.23 0.00 0.00 178.31 176.60 2bd0 h PHE 123 N -0.47 0.00 -0.27 0.41 0.04 -1.24 0.21 116.94 115.63 2bd0 h PHE 123 Ca -0.02 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.57 2bd0 h PHE 123 Cb 0.38 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2bd0 h PHE 123 CO 0.03 0.41 -0.55 1.25 -0.60 0.00 0.00 178.31 178.84 2bd0 h LEU 124 N 0.00 0.93 -0.32 1.54 5.85 -1.25 -2.05 115.31 120.02 2bd0 h LEU 124 Ca -0.00 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 2bd0 h LEU 124 Cb 0.72 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2bd0 h LEU 124 CO 0.05 1.29 0.05 0.74 -0.34 0.00 0.00 178.44 180.24 2bd0 h THR 125 N 0.64 1.23 -0.25 1.05 2.02 -0.94 -1.70 112.91 114.97 2bd0 h THR 125 Ca 0.01 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.42 2bd0 h THR 125 Cb 1.15 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 2bd0 h THR 125 CO 0.12 0.27 -0.03 -0.61 0.37 0.00 0.00 175.52 175.64 2bd0 h GLN 126 N 0.36 0.03 -0.22 6.66 4.15 -0.53 0.62 115.11 126.18 2bd0 h GLN 126 Ca 0.10 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 2bd0 h GLN 126 Cb 0.35 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2bd0 h GLN 126 CO 0.01 0.02 0.03 0.00 -1.93 0.00 0.00 178.83 176.96 2bd0 h ALA 127 N 1.24 0.30 0.00 3.38 0.00 -1.26 -3.08 119.26 119.83 2bd0 h ALA 127 Ca 0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2bd0 h ALA 127 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2bd0 h ALA 127 CO -0.23 -0.02 -0.76 -0.07 0.00 0.00 0.00 179.25 178.17 2bd0 h LEU 128 N 0.17 0.00 -1.38 0.00 3.38 -1.22 -3.10 115.31 113.15 2bd0 h LEU 128 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2bd0 h LEU 128 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2bd0 h LEU 128 CO 0.01 0.76 -0.07 0.15 0.09 0.00 0.00 178.44 179.38 2bd0 h PHE 129 N 0.00 0.34 -0.98 1.13 3.57 -0.91 -1.93 116.94 118.15 2bd0 h PHE 129 Ca -0.01 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.58 2bd0 h PHE 129 Cb 1.54 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 40.10 2bd0 h PHE 129 CO 0.00 0.40 0.62 0.00 -2.23 0.00 0.00 178.31 177.10 2bd0 h ALA 130 N 1.62 1.57 -0.26 2.41 0.00 -1.46 0.29 119.26 123.44 2bd0 h ALA 130 Ca 0.07 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2bd0 h ALA 130 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bd0 h ALA 130 CO 0.01 0.19 -0.18 -0.07 0.00 0.00 0.00 179.25 179.20 2bd0 h LEU 131 N 0.95 0.60 -1.28 0.00 4.07 -1.47 -2.85 115.31 115.35 2bd0 h LEU 131 Ca 0.48 -0.44 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 2bd0 h LEU 131 Cb 0.50 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 2bd0 h LEU 131 CO -0.25 0.92 0.06 0.24 -1.08 0.00 0.00 178.44 178.33 2bd0 h MET 132 N 0.30 0.55 -0.78 1.13 2.86 -0.96 -0.97 114.93 117.06 2bd0 h MET 132 Ca 0.05 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2bd0 h MET 132 Cb 0.72 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 2bd0 h MET 132 CO 0.05 0.53 0.33 1.49 1.06 0.00 0.00 176.91 180.37 2bd0 h GLU 133 N 0.54 1.15 0.00 1.72 4.81 -0.40 0.15 114.58 122.54 2bd0 h GLU 133 Ca 0.12 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 2bd0 h GLU 133 Cb 0.25 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2bd0 h GLU 133 CO 0.00 0.91 -0.74 0.00 -0.73 0.00 0.00 179.01 178.46 2bd0 h ARG 134 N 1.13 0.00 0.00 1.92 3.08 -1.16 -3.16 114.38 116.19 2bd0 h ARG 134 Ca 0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 2bd0 h ARG 134 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2bd0 h ARG 134 CO -0.03 0.74 -0.47 1.96 -1.07 0.00 0.00 179.97 181.10 2bd0 h GLN 135 N 0.00 0.00 -5.28 0.04 4.20 -0.70 -3.47 115.11 109.90 2bd0 h GLN 135 Ca -0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 2bd0 h GLN 135 Cb 1.35 0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.25 2bd0 h GLN 135 CO 0.10 0.45 -0.61 0.72 -0.67 0.00 0.00 178.83 178.81 2bd0 n HIS 136 N -3.20 -2.55 -3.56 2.96 8.25 0.48 -4.98 115.22 112.62 2bd0 n HIS 136 Ca 0.02 0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 58.26 2bd0 n HIS 136 Cb 0.72 -4.65 -0.04 0.00 1.12 0.00 0.00 29.99 27.13 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 -3.22 -0.36 0.00 0.41 1.04 -1.11 -4.61 113.70 105.84 2bd0 s SER 137 Ca 0.51 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2bd0 s SER 137 Cb -0.22 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2bd0 s SER 137 CO 0.63 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2bd0 n GLY 138 N 0.42 3.84 2.83 7.32 0.00 -1.26 -4.53 105.19 113.82 2bd0 n GLY 138 Ca -0.09 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.09 -0.13 1.61 2.46 -0.40 -1.03 115.29 115.71 2bd0 s HIS 139 Ca 0.00 0.40 0.02 0.00 0.47 0.00 0.00 55.06 55.94 2bd0 s HIS 139 Cb 0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 32.58 32.23 2bd0 s HIS 139 CO 0.00 -0.18 -0.18 0.42 -2.47 0.00 0.00 174.74 172.33 2bd0 s ILE 140 N 1.57 2.51 -0.07 0.89 1.01 0.07 -1.27 121.20 125.90 2bd0 s ILE 140 Ca -0.04 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 2bd0 s ILE 140 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2bd0 s ILE 140 CO -0.05 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.06 2bd0 s PHE 141 N 0.54 3.12 -0.14 3.97 0.40 0.52 -1.35 117.98 125.03 2bd0 s PHE 141 Ca -0.11 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 2bd0 s PHE 141 Cb -0.16 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2bd0 s PHE 141 CO 0.04 0.45 -0.17 -0.06 0.70 0.00 0.00 175.22 176.18 2bd0 s PHE 142 N -0.90 2.33 -0.65 0.36 0.40 -0.05 -0.36 117.98 119.11 2bd0 s PHE 142 Ca 0.14 -1.24 -0.18 0.00 -0.60 0.00 0.00 56.93 55.05 2bd0 s PHE 142 Cb -0.11 -1.65 0.12 0.00 0.51 0.00 0.00 43.02 41.89 2bd0 s PHE 142 CO 0.03 -0.63 0.75 0.42 0.70 0.00 0.00 175.22 176.49 2bd0 s ILE 143 N 1.16 4.91 0.00 0.64 -1.09 -0.81 -0.98 121.20 125.03 2bd0 s ILE 143 Ca -0.01 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.17 2bd0 s ILE 143 Cb -0.14 -4.51 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 2bd0 s ILE 143 CO -0.06 -1.15 0.00 0.35 -1.23 0.00 0.00 174.94 172.85 2bd0 n THR 144 N 5.35 0.00 0.00 2.92 -2.24 -0.07 -4.86 114.28 115.37 2bd0 n THR 144 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 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 0.22 3.42 2.88 -1.25 -4.70 113.62 114.20 2bd0 n SER 145 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2bd0 n SER 145 Cb 0.00 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.13 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 -1.56 -0.94 116.25 115.18 2bd0 h VAL 146 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2bd0 h VAL 146 Cb 0.00 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 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 -1.95 2.30 0.83 5.19 0.00 -1.26 -1.56 120.51 124.06 2bd0 n ALA 147 Ca 0.01 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2bd0 n ALA 147 Cb 0.23 -1.34 0.29 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.98 3.05 -0.36 0.00 0.00 -0.36 -4.20 120.51 117.66 2bd0 n ALA 148 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2bd0 n ALA 148 Cb 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.76 0.00 -4.17 0.00 -2.24 -0.83 -4.20 114.28 101.08 2bd0 n THR 149 Ca 0.05 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 2bd0 n THR 149 Cb 0.38 1.36 -0.14 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.14 0.47 0.23 -0.78 2.20 -0.60 -5.15 119.74 115.96 2bd0 s LYS 150 Ca 0.00 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.34 2bd0 s LYS 150 Cb 0.00 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.84 2bd0 s LYS 150 CO 0.00 0.12 0.44 0.00 -0.36 0.00 0.00 175.35 175.55 2bd0 s ALA 151 N -0.25 3.77 -0.00 3.13 0.00 -1.26 -4.25 121.76 122.90 2bd0 s ALA 151 Ca 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2bd0 s ALA 151 Cb -0.03 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 2bd0 s ALA 151 CO -0.00 0.35 -0.04 -0.06 0.00 0.00 0.00 175.76 176.01 2bd0 s PHE 152 N -1.95 0.38 0.23 0.00 0.40 -1.26 -5.08 117.98 110.70 2bd0 s PHE 152 Ca 0.40 -0.09 -0.14 0.00 -0.60 0.00 0.00 56.93 56.50 2bd0 s PHE 152 Cb -0.11 -0.24 0.29 0.00 0.51 0.00 0.00 43.02 43.47 2bd0 s PHE 152 CO 0.30 -0.01 1.57 0.00 0.70 0.00 0.00 175.22 177.78 2bd0 h ARG 153 N 5.99 -0.03 -0.64 0.44 3.08 -1.99 -0.03 114.38 121.20 2bd0 h ARG 153 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2bd0 h ARG 153 Cb 1.20 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2bd0 h ARG 153 CO 0.50 -0.02 0.00 0.72 -1.07 0.00 0.00 179.97 180.10 2bd0 n HIS 154 N -5.51 0.94 -1.60 3.04 8.25 -1.26 -4.24 115.22 114.84 2bd0 n HIS 154 Ca 0.10 -0.36 -0.05 0.00 -0.26 0.00 0.00 57.72 57.16 2bd0 n HIS 154 Cb 0.41 -0.21 0.17 0.00 1.12 0.00 0.00 29.99 31.48 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 0.48 2.74 0.02 0.41 7.64 -0.02 -1.74 113.62 123.15 2bd0 n SER 155 Ca 0.15 -3.84 -0.10 0.00 1.01 0.00 0.00 58.87 56.09 2bd0 n SER 155 Cb 0.62 -0.56 -0.04 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 1.22 -0.42 -0.23 6.43 4.64 -1.74 0.56 113.55 124.02 2bd0 h SER 156 Ca 0.17 0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.38 2bd0 h SER 156 Cb 1.35 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2bd0 h SER 156 CO 0.34 -0.19 -0.59 0.40 -0.87 0.00 0.00 176.83 175.92 2bd0 h ILE 157 N -0.19 1.28 -0.56 0.95 2.04 -1.87 -2.03 117.51 117.13 2bd0 h ILE 157 Ca 0.07 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 2bd0 h ILE 157 Cb 0.29 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2bd0 h ILE 157 CO -0.19 0.57 0.33 0.22 0.00 0.00 0.00 178.15 179.09 2bd0 h TYR 158 N 0.57 0.74 -0.51 1.37 3.20 -1.72 -1.56 116.97 119.05 2bd0 h TYR 158 Ca -0.01 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2bd0 h TYR 158 Cb 1.21 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2bd0 h TYR 158 CO 0.08 0.51 -0.04 0.00 -1.64 0.00 0.00 178.16 177.07 2bd0 h MET 160 N 0.82 0.91 -0.23 0.00 2.86 -0.98 0.20 114.93 118.50 2bd0 h MET 160 Ca 0.15 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.59 2bd0 h MET 160 Cb 0.54 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2bd0 h MET 160 CO 0.03 0.60 -0.46 0.66 1.06 0.00 0.00 176.91 178.81 2bd0 h SER 161 N 0.94 0.65 0.29 1.22 4.64 -0.64 -0.79 113.55 119.86 2bd0 h SER 161 Ca 0.29 -0.31 -0.30 0.00 -0.47 0.00 0.00 61.79 61.00 2bd0 h SER 161 Cb -0.01 -0.18 0.03 0.00 -0.31 0.00 0.00 62.40 61.92 2bd0 h SER 161 CO -0.10 1.01 -1.32 0.11 -0.87 0.00 0.00 176.83 175.66 2bd0 h LYS 162 N 0.48 0.51 -0.78 4.77 1.79 -0.58 -1.00 116.57 121.76 2bd0 h LYS 162 Ca 0.03 -0.77 -0.02 0.00 -2.18 0.00 0.00 60.65 57.70 2bd0 h LYS 162 Cb 0.99 0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 31.87 2bd0 h LYS 162 CO 0.09 1.36 0.40 0.74 -1.08 0.00 0.00 179.45 180.96 2bd0 h PHE 163 N 0.19 1.11 -0.77 -1.35 -1.00 -0.66 -1.91 116.94 112.55 2bd0 h PHE 163 Ca -0.20 -0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.58 2bd0 h PHE 163 Cb 2.00 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 41.17 2bd0 h PHE 163 CO 0.11 0.79 0.48 0.78 -1.61 0.00 0.00 178.31 178.86 2bd0 h GLY 164 N 1.10 1.11 1.15 -1.45 0.00 -1.03 -1.43 103.07 102.53 2bd0 h GLY 164 Ca 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2bd0 h GLY 164 CO -0.04 0.29 0.39 1.46 0.00 0.00 0.00 176.54 178.64 2bd0 h GLN 165 N 0.93 1.10 -0.48 4.80 4.20 -0.65 -1.68 115.11 123.33 2bd0 h GLN 165 Ca 0.31 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 2bd0 h GLN 165 Cb 0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2bd0 h GLN 165 CO -0.12 0.83 0.21 -0.09 -0.67 0.00 0.00 178.83 178.99 2bd0 h ARG 166 N 1.10 0.67 -0.84 1.46 2.43 -0.52 -0.05 114.38 118.63 2bd0 h ARG 166 Ca 0.27 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2bd0 h ARG 166 Cb 0.08 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2bd0 h ARG 166 CO -0.04 0.54 0.54 0.78 -1.51 0.00 0.00 179.97 180.29 2bd0 h GLY 167 N 0.80 1.18 0.89 2.80 0.00 -0.50 0.41 103.07 108.64 2bd0 h GLY 167 Ca 0.17 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 2bd0 h GLY 167 CO -0.02 0.44 -0.05 -2.00 0.00 0.00 0.00 176.54 174.91 2bd0 h LEU 168 N 1.14 0.56 -0.22 3.11 5.85 -0.89 -2.30 115.31 122.57 2bd0 h LEU 168 Ca 0.31 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2bd0 h LEU 168 Cb -0.11 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 2bd0 h LEU 168 CO -0.06 0.78 -0.12 0.58 -0.34 0.00 0.00 178.44 179.28 2bd0 h VAL 169 N 0.33 0.64 -0.41 1.05 2.07 -0.51 0.68 116.25 120.10 2bd0 h VAL 169 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2bd0 h VAL 169 Cb 0.53 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2bd0 h VAL 169 CO 0.03 0.00 0.15 -0.33 0.02 0.00 0.00 177.57 177.44 2bd0 h GLU 170 N -0.10 0.58 -0.30 1.57 4.39 -0.88 -1.86 114.58 117.99 2bd0 h GLU 170 Ca 0.12 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 2bd0 h GLU 170 Cb 0.28 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2bd0 h GLU 170 CO -0.28 0.50 -0.47 1.15 -1.16 0.00 0.00 179.01 178.75 2bd0 h THR 171 N 0.58 1.28 -0.12 1.13 2.02 -0.77 -3.01 112.91 114.02 2bd0 h THR 171 Ca 0.14 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 2bd0 h THR 171 Cb 0.14 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2bd0 h THR 171 CO -0.01 0.54 0.05 0.24 0.37 0.00 0.00 175.52 176.71 2bd0 h MET 172 N 0.63 0.17 -0.45 6.66 2.86 -0.25 -1.66 114.93 122.88 2bd0 h MET 172 Ca 0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2bd0 h MET 172 Cb 1.07 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 2bd0 h MET 172 CO 0.11 0.14 0.25 0.00 1.06 0.00 0.00 176.91 178.47 2bd0 h ARG 173 N 0.17 0.60 -0.59 1.72 3.08 -1.22 0.17 114.38 118.31 2bd0 h ARG 173 Ca 0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 2bd0 h ARG 173 Cb 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2bd0 h ARG 173 CO -0.01 0.44 0.05 -0.07 -1.07 0.00 0.00 179.97 179.32 2bd0 h LEU 174 N 0.61 0.95 0.02 3.04 3.38 -1.36 -2.38 115.31 119.58 2bd0 h LEU 174 Ca 0.16 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 2bd0 h LEU 174 Cb 0.00 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.51 2bd0 h LEU 174 CO -0.03 0.98 -0.73 1.88 0.09 0.00 0.00 178.44 180.63 2bd0 h TYR 175 N 0.92 0.69 -0.89 1.13 0.05 -1.37 -3.36 116.97 114.14 2bd0 h TYR 175 Ca 0.18 -0.39 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 2bd0 h TYR 175 Cb 0.46 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 2bd0 h TYR 175 CO 0.03 1.23 0.52 0.00 -1.05 0.00 0.00 178.16 178.89 2bd0 h ALA 176 N 0.31 1.14 0.00 3.88 0.00 -0.61 -2.89 119.26 121.09 2bd0 h ALA 176 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2bd0 h ALA 176 Cb 1.44 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bd0 h ALA 176 CO 0.14 0.61 0.00 0.07 0.00 0.00 0.00 179.25 180.08 2bd0 h ARG 177 N 1.23 0.00 0.00 0.00 0.11 -1.57 -1.34 114.38 112.81 2bd0 h ARG 177 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 2bd0 h ARG 177 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2bd0 h ARG 177 CO -0.06 0.00 -0.88 1.63 0.10 0.00 0.00 179.97 180.76 2bd0 n LYS 178 N -2.54 0.08 -0.06 0.08 5.02 -1.09 -4.34 118.16 115.30 2bd0 n LYS 178 Ca -0.01 -0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2bd0 n LYS 178 Cb 0.13 -1.52 0.11 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 -1.14 -5.84 -4.67 0.00 4.05 -1.00 -3.39 115.26 103.26 2bd0 n ASN 180 Ca 0.12 -0.21 -0.34 0.00 0.45 0.00 0.00 54.58 54.59 2bd0 n ASN 180 Cb 0.54 -4.77 -0.10 0.00 1.23 0.00 0.00 39.78 36.69 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 -3.11 4.22 -0.13 3.44 1.01 -0.90 -4.02 120.40 120.91 2bd0 s VAL 181 Ca 0.23 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 2bd0 s VAL 181 Cb -0.10 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2bd0 s VAL 181 CO 0.28 0.56 0.15 -0.13 0.00 0.00 0.00 175.10 175.96 2bd0 s ARG 182 N -1.02 3.62 -0.18 2.72 0.52 -0.20 -4.39 118.95 120.01 2bd0 s ARG 182 Ca 0.15 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 2bd0 s ARG 182 Cb -0.11 -3.24 0.03 0.00 0.52 0.00 0.00 34.95 32.14 2bd0 s ARG 182 CO 0.04 0.67 -0.17 0.42 0.02 0.00 0.00 175.30 176.29 2bd0 s ILE 183 N -0.74 1.92 -0.11 1.52 -1.09 -1.26 -0.75 121.20 120.69 2bd0 s ILE 183 Ca 0.14 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 2bd0 s ILE 183 Cb -0.12 -1.81 -0.00 0.00 -1.58 0.00 0.00 42.46 38.95 2bd0 s ILE 183 CO 0.03 0.42 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.07 2bd0 s THR 184 N 1.32 2.38 -0.38 2.92 2.01 -0.46 -4.34 115.64 119.10 2bd0 s THR 184 Ca 0.03 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 2bd0 s THR 184 Cb -0.14 -1.95 0.07 0.00 0.01 0.00 0.00 72.50 70.49 2bd0 s THR 184 CO -0.11 0.55 0.16 -0.62 -0.69 0.00 0.00 174.62 173.91 2bd0 s ASP 185 N 0.40 5.34 -0.24 3.53 -1.08 0.21 -0.87 116.67 123.95 2bd0 s ASP 185 Ca -0.15 -1.49 -0.18 0.00 -0.52 0.00 0.00 52.55 50.21 2bd0 s ASP 185 Cb -0.17 -1.87 -0.03 0.00 -1.46 0.00 0.00 42.92 39.39 2bd0 s ASP 185 CO 0.07 -0.44 0.52 -0.69 0.52 0.00 0.00 175.17 175.16 2bd0 s VAL 186 N 1.32 5.08 -0.51 1.11 1.01 -0.15 -1.91 120.40 126.34 2bd0 s VAL 186 Ca 0.02 0.92 0.04 0.00 0.00 0.00 0.00 61.98 62.96 2bd0 s VAL 186 Cb -0.21 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.45 2bd0 s VAL 186 CO 0.00 0.12 0.25 -1.10 0.00 0.00 0.00 175.10 174.37 2bd0 s GLN 187 N 2.07 1.94 0.30 2.72 -0.21 0.46 -0.90 119.66 126.04 2bd0 s GLN 187 Ca 0.23 -2.58 -0.02 0.00 0.02 0.00 0.00 55.36 53.00 2bd0 s GLN 187 Cb -0.16 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 2bd0 s GLN 187 CO 0.09 -1.10 0.54 -1.25 -2.12 0.00 0.00 175.29 171.44 2bd0 s PRO 188 N -0.23 3.56 0.00 2.91 0.04 -1.26 -1.94 135.00 138.08 2bd0 s PRO 188 Ca 0.17 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2bd0 s PRO 188 Cb -0.26 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2bd0 s PRO 188 CO -0.00 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2bd0 n GLY 189 N -1.23 1.42 3.67 0.56 0.00 0.73 -1.92 105.19 108.42 2bd0 n GLY 189 Ca -0.03 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 1.82 -3.42 4.61 0.00 -1.26 -4.94 120.51 114.32 2bd0 n ALA 190 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2bd0 n ALA 190 Cb 0.00 -2.64 -0.17 0.00 0.00 0.00 0.00 19.45 16.64 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 3.71 1.61 -0.47 0.00 1.01 -1.26 -1.02 120.40 123.99 2bd0 s VAL 191 Ca 0.86 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 2bd0 s VAL 191 Cb -0.46 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2bd0 s VAL 191 CO 0.40 0.46 1.70 -0.47 0.00 0.00 0.00 175.10 177.20 2bd0 s TYR 192 N 0.61 1.92 0.27 5.22 5.04 -0.25 -4.87 117.35 125.30 2bd0 s TYR 192 Ca -0.14 0.66 -0.05 0.00 -2.44 0.00 0.00 57.07 55.10 2bd0 s TYR 192 Cb -0.16 -4.18 -0.01 0.00 0.35 0.00 0.00 41.96 37.95 2bd0 s TYR 192 CO 0.04 -2.45 0.37 0.95 -1.34 0.00 0.00 175.55 173.12 2bd0 s THR 193 N 7.24 0.00 0.35 4.34 -4.23 -1.26 -4.44 115.64 117.64 2bd0 s THR 193 Ca 0.69 -1.66 0.36 0.00 -1.18 0.00 0.00 61.69 59.89 2bd0 s THR 193 Cb -0.16 -2.44 0.36 0.00 1.34 0.00 0.00 72.50 71.59 2bd0 s THR 193 CO 0.28 0.00 2.10 -0.65 -0.54 0.00 0.00 174.62 175.82 2bd0 h PRO 194 N 2.30 0.00 0.00 3.99 0.11 -1.92 -1.87 132.00 134.60 2bd0 h PRO 194 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 2bd0 h PRO 194 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bd0 h PRO 194 CO 0.41 0.00 -0.02 1.98 -0.21 0.00 0.00 178.00 180.16 2bd0 h MET 195 N 0.00 0.00 0.00 1.05 4.05 -1.96 -2.20 114.93 115.88 2bd0 h MET 195 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2bd0 h MET 195 Cb 0.02 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2bd0 h MET 195 CO 0.00 0.02 -0.76 -1.49 0.23 0.00 0.00 176.91 174.91 2bd0 h TRP 196 N 0.00 0.00 0.00 1.39 4.06 -1.67 -3.49 115.95 116.24 2bd0 h TRP 196 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2bd0 h TRP 196 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 2bd0 h TRP 196 CO 0.00 0.05 0.00 0.41 -3.56 0.00 0.00 178.44 175.34 2bd0 n GLY 197 N 1.17 3.11 0.00 1.49 0.00 -0.83 -4.46 105.19 105.67 2bd0 n GLY 197 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 13.30 0.00 -1.63 1.61 0.00 -1.26 -4.95 118.16 125.23 2bd0 n LYS 198 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2bd0 n LYS 198 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 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 -6.09 -1.09 0.58 0.24 -1.26 -5.03 118.33 105.68 2bd0 n VAL 199 Ca 0.00 1.03 -0.29 0.00 -2.04 0.00 0.00 64.34 63.03 2bd0 n VAL 199 Cb 0.00 -4.26 0.17 0.00 -1.47 0.00 0.00 33.84 28.29 2bd0 n VAL 199 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2bd0 s ASP 200 N -0.21 2.74 0.17 -1.34 1.47 -1.26 -4.80 116.67 113.43 2bd0 s ASP 200 Ca -0.04 1.37 -0.14 0.00 1.18 0.00 0.00 52.55 54.92 2bd0 s ASP 200 Cb 0.00 -2.05 0.06 0.00 -0.34 0.00 0.00 42.92 40.59 2bd0 s ASP 200 CO 0.11 -3.08 1.79 0.44 0.68 0.00 0.00 175.17 175.11 2bd0 h ASP 201 N -1.86 0.64 0.30 2.11 3.32 -2.00 -1.79 116.42 117.14 2bd0 h ASP 201 Ca -0.53 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.39 2bd0 h ASP 201 Cb 1.31 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2bd0 h ASP 201 CO 0.55 0.53 -0.28 1.05 -1.72 0.00 0.00 179.24 179.36 2bd0 h GLU 202 N 0.71 0.00 -0.05 3.56 -0.00 -2.01 -2.73 114.58 114.06 2bd0 h GLU 202 Ca 0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.34 2bd0 h GLU 202 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.76 2bd0 h GLU 202 CO -0.03 0.28 -0.83 1.98 -0.00 0.00 0.00 179.01 180.41 2bd0 h MET 203 N 0.00 0.43 -0.26 1.06 1.85 -1.79 -3.16 114.93 113.06 2bd0 h MET 203 Ca -0.00 -0.41 -0.04 0.00 -0.61 0.00 0.00 59.70 58.64 2bd0 h MET 203 Cb 0.51 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.63 2bd0 h MET 203 CO 0.04 1.05 -0.02 1.96 -0.40 0.00 0.00 176.91 179.55 2bd0 h GLN 204 N 0.27 0.40 0.00 0.39 4.20 -1.03 -1.59 115.11 117.75 2bd0 h GLN 204 Ca -0.06 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2bd0 h GLN 204 Cb 1.44 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.16 2bd0 h GLN 204 CO 0.15 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.74 2bd0 h ALA 205 N 1.61 1.00 -0.50 3.87 0.00 -1.49 -2.52 119.26 121.23 2bd0 h ALA 205 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bd0 h ALA 205 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bd0 h ALA 205 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2bd0 n LEU 206 N -2.46 5.33 -4.39 0.00 4.77 -0.60 -4.96 117.00 114.69 2bd0 n LEU 206 Ca 0.02 -2.97 -0.20 0.00 -0.03 0.00 0.00 56.01 52.83 2bd0 n LEU 206 Cb 0.24 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 2bd0 n LEU 206 CO 0.21 0.64 -0.43 -0.04 -1.33 0.00 0.00 177.39 176.45 2bd0 s MET 207 N -2.80 1.45 0.61 3.23 -1.94 -0.95 -4.80 119.30 114.10 2bd0 s MET 207 Ca 0.52 -1.67 -0.04 0.00 -1.71 0.00 0.00 55.69 52.79 2bd0 s MET 207 Cb 0.40 -1.25 0.03 0.00 2.01 0.00 0.00 34.83 36.02 2bd0 s MET 207 CO 0.14 0.18 0.89 -1.64 -0.01 0.00 0.00 175.02 174.58 2bd0 s MET 208 N -3.64 2.57 0.15 2.03 -1.94 -0.19 -4.84 119.30 113.45 2bd0 s MET 208 Ca 0.26 -0.32 0.06 0.00 -1.71 0.00 0.00 55.69 53.98 2bd0 s MET 208 Cb -0.00 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 2bd0 s MET 208 CO 0.10 -0.87 0.05 -1.64 -0.01 0.00 0.00 175.02 172.65 2bd0 s MET 209 N -5.00 2.61 0.27 2.03 -1.94 -1.26 -1.09 119.30 114.92 2bd0 s MET 209 Ca 0.56 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 53.58 2bd0 s MET 209 Cb -0.11 -2.50 0.59 0.00 2.01 0.00 0.00 34.83 34.83 2bd0 s MET 209 CO 0.43 0.48 1.75 -1.35 -0.01 0.00 0.00 175.02 176.32 2bd0 h PRO 210 N 2.74 0.59 0.00 2.03 0.11 -1.91 -0.29 132.00 135.27 2bd0 h PRO 210 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2bd0 h PRO 210 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2bd0 h PRO 210 CO 0.60 0.39 -0.03 1.05 -0.21 0.00 0.00 178.00 179.80 2bd0 h GLU 211 N 0.61 0.00 -0.19 1.05 9.09 -1.91 -1.12 114.58 122.10 2bd0 h GLU 211 Ca 0.49 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.83 2bd0 h GLU 211 Cb 0.75 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.84 2bd0 h GLU 211 CO -0.39 0.03 -0.22 -0.44 0.05 0.00 0.00 179.01 178.04 2bd0 h ASP 212 N 0.00 0.34 0.29 3.06 3.32 -1.45 -2.43 116.42 119.55 2bd0 h ASP 212 Ca -0.00 -0.10 -0.34 0.00 0.02 0.00 0.00 57.03 56.61 2bd0 h ASP 212 Cb 0.10 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 39.58 2bd0 h ASP 212 CO 0.00 0.57 -1.57 0.40 -1.72 0.00 0.00 179.24 176.93 2bd0 h ILE 213 N 0.31 1.16 -0.85 0.35 1.08 -1.28 -3.37 117.51 114.92 2bd0 h ILE 213 Ca 0.05 -2.67 -0.02 0.00 -0.39 0.00 0.00 64.86 61.83 2bd0 h ILE 213 Cb 0.57 2.91 -0.04 0.00 -3.07 0.00 0.00 36.82 37.19 2bd0 h ILE 213 CO 0.04 0.84 0.47 0.00 -0.69 0.00 0.00 178.15 178.80 2bd0 h ALA 214 N 0.21 1.23 0.10 1.87 0.00 -1.18 -3.07 119.26 118.40 2bd0 h ALA 214 Ca -0.28 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2bd0 h ALA 214 Cb 2.12 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 2bd0 h ALA 214 CO 0.23 0.63 -0.29 0.00 0.00 0.00 0.00 179.25 179.82 2bd0 h ALA 215 N 1.33 -0.47 -0.30 0.00 0.00 -1.60 -1.96 119.26 116.27 2bd0 h ALA 215 Ca 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2bd0 h ALA 215 Cb 0.02 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2bd0 h ALA 215 CO -0.05 -0.82 0.09 -1.35 0.00 0.00 0.00 179.25 177.12 2bd0 h PRO 216 N -0.49 0.43 0.06 0.00 0.11 -1.74 -1.51 132.00 128.87 2bd0 h PRO 216 Ca 0.04 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2bd0 h PRO 216 Cb 0.53 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2bd0 h PRO 216 CO -0.18 0.39 -0.03 0.28 -0.21 0.00 0.00 178.00 178.25 2bd0 h VAL 217 N 0.43 1.03 -0.56 3.15 2.07 -1.36 -0.79 116.25 120.22 2bd0 h VAL 217 Ca 0.10 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 2bd0 h VAL 217 Cb 0.14 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2bd0 h VAL 217 CO -0.01 0.08 -0.01 0.58 0.02 0.00 0.00 177.57 178.24 2bd0 h VAL 218 N -0.23 1.26 -0.63 2.57 2.07 -1.15 -2.28 116.25 117.86 2bd0 h VAL 218 Ca -0.01 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2bd0 h VAL 218 Cb 0.20 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2bd0 h VAL 218 CO 0.01 0.40 0.27 1.56 0.02 0.00 0.00 177.57 179.84 2bd0 h GLN 219 N 0.89 0.91 -0.77 1.57 1.08 -1.17 -1.29 115.11 116.34 2bd0 h GLN 219 Ca 0.16 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2bd0 h GLN 219 Cb 0.54 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 2bd0 h GLN 219 CO 0.03 0.73 0.28 0.00 -0.95 0.00 0.00 178.83 178.92 2bd0 h ALA 220 N 1.40 1.01 -0.37 3.87 0.00 -0.73 -2.34 119.26 122.09 2bd0 h ALA 220 Ca 0.22 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2bd0 h ALA 220 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2bd0 h ALA 220 CO -0.02 0.66 -0.15 -0.92 0.00 0.00 0.00 179.25 178.82 2bd0 h TYR 221 N 1.13 0.74 0.00 0.00 3.20 -0.84 -2.76 116.97 118.44 2bd0 h TYR 221 Ca 0.25 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2bd0 h TYR 221 Cb 0.26 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2bd0 h TYR 221 CO 0.02 0.78 0.00 1.28 -1.64 0.00 0.00 178.16 178.60 2bd0 n LEU 222 N -4.16 0.00 -4.74 2.82 4.77 -0.55 -4.83 117.00 110.31 2bd0 n LEU 222 Ca 0.01 0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 2bd0 n LEU 222 Cb 0.37 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2bd0 n LEU 222 CO 0.42 -0.04 0.82 -1.10 -1.33 0.00 0.00 177.39 176.17 2bd0 s GLN 223 N -2.49 2.63 0.72 3.23 -1.52 -0.95 -4.94 119.66 116.34 2bd0 s GLN 223 Ca 0.26 1.79 -0.16 0.00 -1.95 0.00 0.00 55.36 55.31 2bd0 s GLN 223 Cb 0.17 -1.89 0.03 0.00 -0.22 0.00 0.00 33.01 31.10 2bd0 s GLN 223 CO 0.38 -1.47 1.25 -1.25 -0.25 0.00 0.00 175.29 173.95 2bd0 s PRO 224 N -3.60 2.16 0.61 2.91 0.04 -1.26 -4.85 135.00 131.00 2bd0 s PRO 224 Ca 0.76 1.93 0.30 0.00 0.04 0.00 0.00 61.00 64.02 2bd0 s PRO 224 Cb -0.30 -1.82 1.64 0.00 0.04 0.00 0.00 34.50 34.06 2bd0 s PRO 224 CO 0.39 -1.86 2.02 0.66 0.04 0.00 0.00 177.00 178.25 2bd0 h SER 225 N -0.08 0.00 0.70 6.66 4.64 -1.93 -1.53 113.55 122.00 2bd0 h SER 225 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 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 0.50 0.00 -0.00 0.08 -0.87 0.00 0.00 176.83 176.54 2bd0 h ARG 226 N 0.00 0.00 -5.99 4.77 0.11 -2.01 -3.44 114.38 107.82 2bd0 h ARG 226 Ca 0.11 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.55 2bd0 h ARG 226 Cb 0.70 0.00 -0.30 0.00 1.11 0.00 0.00 29.97 31.47 2bd0 h ARG 226 CO -0.00 0.00 -0.86 0.99 0.10 0.00 0.00 179.97 180.20 2bd0 s THR 227 N -3.82 1.76 -0.09 0.08 2.01 -0.58 -5.13 115.64 109.88 2bd0 s THR 227 Ca -0.01 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2bd0 s THR 227 Cb 0.10 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 71.14 2bd0 s THR 227 CO 0.50 0.50 -0.19 0.54 -0.69 0.00 0.00 174.62 175.28 2bd0 s VAL 228 N -0.34 1.65 -0.75 3.82 0.11 -1.26 -4.68 120.40 118.95 2bd0 s VAL 228 Ca 0.04 -0.77 -0.23 0.00 -2.93 0.00 0.00 61.98 58.08 2bd0 s VAL 228 Cb -0.10 -1.46 0.07 0.00 -1.53 0.00 0.00 36.38 33.35 2bd0 s VAL 228 CO 0.01 0.47 1.12 -0.69 -3.33 0.00 0.00 175.10 172.68 2bd0 s VAL 229 N 0.54 4.17 0.21 2.04 1.01 -1.26 -4.87 120.40 122.25 2bd0 s VAL 229 Ca -0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2bd0 s VAL 229 Cb -0.17 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.43 2bd0 s VAL 229 CO 0.06 -1.62 1.61 -0.33 0.00 0.00 0.00 175.10 174.81 2bd0 h GLU 230 N 9.62 0.76 -3.37 2.72 5.08 -1.96 -3.39 114.58 124.04 2bd0 h GLU 230 Ca -0.18 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 57.69 2bd0 h GLU 230 Cb 1.05 -0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.04 2bd0 h GLU 230 CO 1.22 0.94 -0.49 -1.21 -1.00 0.00 0.00 179.01 178.47 2bd0 s GLU 231 N -4.52 0.33 -0.07 2.33 2.02 -1.26 -0.62 118.70 116.91 2bd0 s GLU 231 Ca -0.09 -0.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.86 2bd0 s GLU 231 Cb 0.13 0.15 0.04 0.00 0.10 0.00 0.00 34.13 34.54 2bd0 s GLU 231 CO 0.84 -0.06 0.06 0.42 0.02 0.00 0.00 175.26 176.53 2bd0 s ILE 232 N -0.51 -0.03 -0.19 -1.63 1.01 -0.80 -4.95 121.20 114.09 2bd0 s ILE 232 Ca -0.06 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 2bd0 s ILE 232 Cb -0.04 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 2bd0 s ILE 232 CO 0.01 0.11 -0.05 -0.63 0.00 0.00 0.00 174.94 174.38 2bd0 s ILE 233 N 2.13 3.52 -0.02 2.92 1.01 -1.26 -0.40 121.20 129.10 2bd0 s ILE 233 Ca 0.04 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.29 2bd0 s ILE 233 Cb -0.13 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2bd0 s ILE 233 CO -0.04 0.45 -0.18 -0.76 0.00 0.00 0.00 174.94 174.41 2bd0 s LEU 234 N 0.99 2.03 0.14 2.97 1.02 -0.82 -4.99 118.68 120.02 2bd0 s LEU 234 Ca 0.00 -0.34 -0.06 0.00 0.02 0.00 0.00 54.13 53.75 2bd0 s LEU 234 Cb -0.15 -0.95 -0.02 0.00 0.02 0.00 0.00 46.19 45.09 2bd0 s LEU 234 CO 0.01 0.22 0.20 -0.13 0.02 0.00 0.00 176.35 176.67 2bd0 s ARG 235 N -0.42 1.03 0.53 1.70 0.52 -1.26 -0.19 118.95 120.86 2bd0 s ARG 235 Ca 0.07 -1.22 -0.20 0.00 -0.52 0.00 0.00 55.73 53.85 2bd0 s ARG 235 Cb -0.07 0.33 -0.06 0.00 0.52 0.00 0.00 34.95 35.67 2bd0 s ARG 235 CO -0.01 -0.35 1.15 -2.14 0.02 0.00 0.00 175.30 173.98 2bd0 s PRO 236 N -3.97 3.39 0.46 3.54 0.02 -1.26 -4.88 135.00 132.29 2bd0 s PRO 236 Ca 0.17 1.69 0.16 0.00 0.02 0.00 0.00 61.00 63.04 2bd0 s PRO 236 Cb 0.05 -2.09 1.11 0.00 0.02 0.00 0.00 34.50 33.59 2bd0 s PRO 236 CO -0.01 -0.84 2.01 1.15 -0.33 0.00 0.00 177.00 178.98 2bd0 h THR 237 N 1.32 0.89 -0.00 0.99 2.02 -1.96 -0.65 112.91 115.51 2bd0 h THR 237 Ca -0.50 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2bd0 h THR 237 Cb 1.26 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2bd0 h THR 237 CO 0.57 0.05 -0.01 -1.54 0.37 0.00 0.00 175.52 174.97 2bd0 n SER 238 N -4.46 0.13 0.00 4.18 3.41 -1.26 -5.03 113.62 110.59 2bd0 n SER 238 Ca 0.08 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2bd0 n SER 238 Cb 0.37 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.08 -2.60 3.76 5.00 0.00 -0.25 -4.97 105.19 107.22 2bd0 n GLY 239 Ca 0.21 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.65 5.99 0.00 1.61 1.01 -1.26 -4.42 116.67 116.95 2bd0 s ASP 240 Ca 0.00 2.51 0.00 0.00 0.71 0.00 0.00 52.55 55.77 2bd0 s ASP 240 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2bd0 s ASP 240 CO 0.00 -1.06 0.40 -0.38 0.21 0.00 0.00 175.17 174.34