#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uls n LEU 3 N 0.00 2.27 -4.39 0.55 4.77 -0.25 -4.58 117.00 115.37 1uls n LEU 3 Ca 0.00 -3.40 -0.53 0.00 -0.03 0.00 0.00 56.01 52.05 1uls n LEU 3 Cb 0.00 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 1uls n LEU 3 CO 0.00 1.15 1.78 1.17 -1.33 0.00 0.00 177.39 180.16 1uls n LYS 4 N -0.76 0.79 -1.25 3.23 4.81 -0.99 -1.09 118.16 122.90 1uls n LYS 4 Ca 0.16 0.21 -0.09 0.00 -0.87 0.00 0.00 58.31 57.72 1uls n LYS 4 Cb 0.79 -2.20 -0.04 0.00 0.02 0.00 0.00 35.03 33.60 1uls n LYS 4 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1uls n ASP 5 N 9.19 -5.40 -4.73 3.14 4.64 0.51 -4.95 116.55 118.96 1uls n ASP 5 Ca 0.45 0.21 -0.41 0.00 -1.38 0.00 0.00 54.79 53.66 1uls n ASP 5 Cb 0.16 -3.66 -0.04 0.00 -1.04 0.00 0.00 41.12 36.54 1uls n ASP 5 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1uls s LYS 6 N -2.59 4.70 -0.35 -0.67 1.02 -0.25 -4.70 119.74 116.90 1uls s LYS 6 Ca 0.00 1.46 -0.27 0.00 0.02 0.00 0.00 55.97 57.18 1uls s LYS 6 Cb 0.00 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1uls s LYS 6 CO 0.00 0.22 0.96 0.00 -0.92 0.00 0.00 175.35 175.61 1uls s ALA 7 N -0.03 3.43 -0.00 5.17 0.00 -1.26 -0.62 121.76 128.44 1uls s ALA 7 Ca 0.47 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1uls s ALA 7 Cb -0.24 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 1uls s ALA 7 CO 0.30 -1.56 -0.14 0.08 0.00 0.00 0.00 175.76 174.44 1uls s VAL 8 N 3.51 1.12 0.03 0.00 1.01 -0.75 0.13 120.40 125.44 1uls s VAL 8 Ca 0.40 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1uls s VAL 8 Cb -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1uls s VAL 8 CO 0.18 0.27 -0.25 -0.22 0.00 0.00 0.00 175.10 175.07 1uls s LEU 9 N -0.46 2.18 -0.02 3.92 0.20 -0.85 -1.41 118.68 122.24 1uls s LEU 9 Ca 0.05 -0.54 0.02 0.00 0.69 0.00 0.00 54.13 54.35 1uls s LEU 9 Cb -0.06 -1.32 0.00 0.00 -0.43 0.00 0.00 46.19 44.38 1uls s LEU 9 CO -0.00 0.28 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.64 1uls s ILE 10 N -0.76 0.57 0.21 6.68 1.01 -0.78 -0.95 121.20 127.18 1uls s ILE 10 Ca 0.11 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.57 1uls s ILE 10 Cb -0.10 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1uls s ILE 10 CO 0.01 0.19 0.24 0.42 0.00 0.00 0.00 174.94 175.80 1uls s THR 11 N 0.21 4.81 -1.59 2.92 -4.23 -0.71 -0.14 115.64 116.90 1uls s THR 11 Ca -0.03 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1uls s THR 11 Cb -0.07 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.23 1uls s THR 11 CO -0.00 -0.24 0.25 0.61 -0.54 0.00 0.00 174.62 174.70 1uls n GLY 12 N -0.93 -0.51 0.15 3.99 0.00 0.95 -3.31 105.19 105.53 1uls n GLY 12 Ca -0.08 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1uls n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls h ALA 13 N 1.00 1.00 0.00 4.61 0.00 -1.51 -3.02 119.26 121.34 1uls h ALA 13 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1uls h ALA 13 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1uls h ALA 13 CO 0.55 0.00 -0.51 0.00 0.00 0.00 0.00 179.25 179.29 1uls n ALA 14 N -1.82 2.98 -1.95 0.00 0.00 -1.26 -1.81 120.51 116.65 1uls n ALA 14 Ca 0.02 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 1uls n ALA 14 Cb 0.27 -1.20 0.08 0.00 0.00 0.00 0.00 19.45 18.59 1uls n ALA 14 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1uls s HIS 15 N -3.11 2.55 0.00 0.00 3.76 -1.14 -4.71 115.29 112.64 1uls s HIS 15 Ca 0.08 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 1uls s HIS 15 Cb 0.15 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1uls s HIS 15 CO 0.70 -1.42 0.84 0.41 -0.85 0.00 0.00 174.74 174.42 1uls n GLY 16 N -2.81 -2.80 0.26 -2.22 0.00 -1.26 0.74 105.19 97.09 1uls n GLY 16 Ca 0.10 0.54 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 1uls n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uls h ILE 17 N 0.00 1.23 -0.43 -0.61 2.04 -1.89 -1.93 117.51 115.93 1uls h ILE 17 Ca 0.00 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1uls h ILE 17 Cb 0.00 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1uls h ILE 17 CO 0.00 0.29 0.24 1.23 0.00 0.00 0.00 178.15 179.91 1uls h GLY 18 N 0.79 0.63 1.00 5.37 0.00 -1.54 -1.33 103.07 108.00 1uls h GLY 18 Ca 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1uls h GLY 18 CO -0.01 0.27 0.37 -0.09 0.00 0.00 0.00 176.54 177.09 1uls h ARG 19 N 0.56 0.95 -0.22 4.80 9.65 0.11 -0.47 114.38 129.76 1uls h ARG 19 Ca 0.15 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 1uls h ARG 19 Cb 0.05 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1uls h ARG 19 CO -0.02 0.72 -0.11 0.00 2.80 0.00 0.00 179.97 183.36 1uls h ALA 20 N 1.18 1.41 -0.08 2.80 0.00 -1.08 -2.15 119.26 121.35 1uls h ALA 20 Ca 0.24 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1uls h ALA 20 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1uls h ALA 20 CO -0.04 0.41 -0.68 1.15 0.00 0.00 0.00 179.25 180.09 1uls h THR 21 N 0.33 1.39 -0.04 0.00 2.02 -0.66 -2.32 112.91 113.63 1uls h THR 21 Ca 0.07 -2.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.15 1uls h THR 21 Cb 0.40 2.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1uls h THR 21 CO 0.02 0.63 0.02 -0.07 0.37 0.00 0.00 175.52 176.48 1uls h LEU 22 N 0.24 0.06 -0.12 2.58 3.38 -0.56 0.54 115.31 121.44 1uls h LEU 22 Ca -0.02 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1uls h LEU 22 Cb 1.23 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1uls h LEU 22 CO 0.11 0.20 -0.12 -0.33 0.09 0.00 0.00 178.44 178.39 1uls h GLU 23 N -0.09 -0.14 0.19 1.13 5.08 -1.37 0.10 114.58 119.47 1uls h GLU 23 Ca 0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1uls h GLU 23 Cb 0.16 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1uls h GLU 23 CO -0.00 -0.10 -0.09 1.25 -1.00 0.00 0.00 179.01 179.07 1uls h LEU 24 N -0.15 -0.21 -1.80 1.33 6.46 -1.30 -2.06 115.31 117.58 1uls h LEU 24 Ca 0.08 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1uls h LEU 24 Cb 0.27 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1uls h LEU 24 CO -0.21 -0.14 -0.07 -0.26 -0.62 0.00 0.00 178.44 177.14 1uls h PHE 25 N -0.26 0.04 -0.23 1.25 -1.00 -0.70 -0.61 116.94 115.43 1uls h PHE 25 Ca -0.03 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.68 1uls h PHE 25 Cb 0.20 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1uls h PHE 25 CO -0.06 0.11 -0.14 0.00 -1.61 0.00 0.00 178.31 176.61 1uls h ALA 26 N 1.89 0.33 -0.08 2.45 0.00 -0.46 -1.81 119.26 121.58 1uls h ALA 26 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1uls h ALA 26 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1uls h ALA 26 CO 0.01 0.20 -0.16 0.87 0.00 0.00 0.00 179.25 180.17 1uls h LYS 27 N 0.21 0.13 -0.01 0.00 1.57 -0.72 -1.44 116.57 116.31 1uls h LYS 27 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1uls h LYS 27 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1uls h LYS 27 CO 0.04 0.29 0.00 0.39 -0.57 0.00 0.00 179.45 179.60 1uls n GLU 28 N -4.29 0.94 -1.02 3.15 -0.58 -0.30 -4.88 120.64 113.67 1uls n GLU 28 Ca -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 1uls n GLU 28 Cb 0.26 -1.01 -0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1uls n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uls n GLY 29 N 0.44 0.45 3.84 0.62 0.00 -0.54 -1.09 105.19 108.91 1uls n GLY 29 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1uls n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls s ALA 30 N -2.02 3.06 -0.52 4.61 0.00 -0.71 -0.36 121.76 125.82 1uls s ALA 30 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 1uls s ALA 30 Cb 0.00 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 20.12 1uls s ALA 30 CO 0.00 -0.32 0.46 1.03 0.00 0.00 0.00 175.76 176.93 1uls s ARG 31 N -4.21 2.93 0.12 0.00 0.52 0.21 -4.76 118.95 113.74 1uls s ARG 31 Ca 0.59 -1.65 -0.04 0.00 -0.52 0.00 0.00 55.73 54.10 1uls s ARG 31 Cb -0.10 -4.22 -0.05 0.00 0.52 0.00 0.00 34.95 31.09 1uls s ARG 31 CO 0.34 -1.26 0.34 -0.51 0.02 0.00 0.00 175.30 174.23 1uls s LEU 32 N 1.58 4.29 -0.18 2.53 1.43 -1.26 -1.82 118.68 125.26 1uls s LEU 32 Ca 0.03 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1uls s LEU 32 Cb -0.29 -3.19 0.04 0.00 0.03 0.00 0.00 46.19 42.78 1uls s LEU 32 CO 0.03 0.09 -0.10 -0.69 0.23 0.00 0.00 176.35 175.91 1uls s VAL 33 N -1.60 1.51 -0.20 -1.59 1.01 -0.50 -1.47 120.40 117.55 1uls s VAL 33 Ca 0.39 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1uls s VAL 33 Cb -0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1uls s VAL 33 CO 0.25 0.24 0.23 0.00 0.00 0.00 0.00 175.10 175.81 1uls s ALA 34 N 1.47 3.62 -0.07 5.51 0.00 -0.22 -1.86 121.76 130.21 1uls s ALA 34 Ca 0.01 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1uls s ALA 34 Cb -0.15 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.62 1uls s ALA 34 CO -0.09 -0.04 -0.22 0.00 0.00 0.00 0.00 175.76 175.42 1uls s ASP 36 N 0.16 -0.27 0.16 0.00 -1.08 -1.24 -0.03 116.67 114.37 1uls s ASP 36 Ca -0.11 -0.38 -0.05 0.00 -0.52 0.00 0.00 52.55 51.50 1uls s ASP 36 Cb -0.15 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 41.88 1uls s ASP 36 CO 0.05 -1.01 1.41 -0.29 0.52 0.00 0.00 175.17 175.85 1uls h ILE 37 N 2.00 1.34 -3.63 4.11 6.09 -1.95 -3.39 117.51 122.08 1uls h ILE 37 Ca -0.23 -2.02 -0.69 0.00 -1.37 0.00 0.00 64.86 60.55 1uls h ILE 37 Cb 1.25 2.00 -0.23 0.00 0.47 0.00 0.00 36.82 40.31 1uls h ILE 37 CO 0.27 0.62 -0.53 -1.61 -3.07 0.00 0.00 178.15 173.83 1uls s GLU 38 N -3.73 3.17 0.21 2.19 2.02 -1.26 -4.95 118.70 116.35 1uls s GLU 38 Ca -0.07 -0.84 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 1uls s GLU 38 Cb 0.10 -3.67 0.29 0.00 0.10 0.00 0.00 34.13 30.96 1uls s GLU 38 CO 0.86 -0.53 1.73 1.49 0.02 0.00 0.00 175.26 178.83 1uls h GLU 39 N 8.41 0.35 -0.00 1.61 4.81 -1.99 -2.19 114.58 125.57 1uls h GLU 39 Ca -0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1uls h GLU 39 Cb 1.13 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1uls h GLU 39 CO 0.64 0.23 -0.03 0.78 -0.73 0.00 0.00 179.01 179.90 1uls h GLY 40 N 0.36 -1.47 2.00 1.92 0.00 -1.99 0.09 103.07 103.98 1uls h GLY 40 Ca 0.32 0.64 0.00 0.00 0.00 0.00 0.00 47.33 48.29 1uls h GLY 40 CO -0.34 -0.55 0.00 -1.55 0.00 0.00 0.00 176.54 174.10 1uls n PRO 41 N -2.71 0.12 -0.02 4.80 -0.04 -1.22 -2.75 135.00 133.18 1uls n PRO 41 Ca -0.00 0.41 -0.15 0.00 -0.04 0.00 0.00 63.50 63.71 1uls n PRO 41 Cb 0.02 -1.75 -0.12 0.00 -0.04 0.00 0.00 33.50 31.61 1uls n PRO 41 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1uls h LEU 42 N 0.00 0.23 -1.10 1.53 6.46 -0.73 -2.79 115.31 118.91 1uls h LEU 42 Ca 0.00 -0.80 0.02 0.00 -0.12 0.00 0.00 57.88 56.98 1uls h LEU 42 Cb 0.25 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 1uls h LEU 42 CO 0.00 1.00 0.61 0.03 -0.62 0.00 0.00 178.44 179.46 1uls h ARG 43 N -0.52 1.17 0.09 1.25 3.08 -0.81 -0.89 114.38 117.76 1uls h ARG 43 Ca -0.04 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1uls h ARG 43 Cb 1.05 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1uls h ARG 43 CO 0.05 0.77 -0.04 1.49 -1.07 0.00 0.00 179.97 181.17 1uls h GLU 44 N 1.20 -0.12 -0.79 0.04 4.81 -1.60 -0.82 114.58 117.30 1uls h GLU 44 Ca 0.35 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1uls h GLU 44 Cb -0.07 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1uls h GLU 44 CO -0.09 0.03 0.31 0.00 -0.73 0.00 0.00 179.01 178.53 1uls h ALA 45 N 0.65 1.03 -0.02 2.92 0.00 -1.19 -2.39 119.26 120.26 1uls h ALA 45 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1uls h ALA 45 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1uls h ALA 45 CO 0.02 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 1uls h ALA 46 N 1.17 0.02 -0.96 0.00 0.00 -1.10 -3.25 119.26 115.14 1uls h ALA 46 Ca 0.26 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1uls h ALA 46 Cb 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1uls h ALA 46 CO -0.02 -0.26 0.63 0.93 0.00 0.00 0.00 179.25 180.53 1uls h GLU 47 N -0.38 1.23 0.00 0.00 5.08 -1.13 0.18 114.58 119.56 1uls h GLU 47 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1uls h GLU 47 Cb 0.43 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1uls h GLU 47 CO 0.00 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.82 1uls h ALA 48 N 1.42 1.00 0.00 3.43 0.00 -1.46 -2.28 119.26 121.36 1uls h ALA 48 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1uls h ALA 48 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1uls h ALA 48 CO -0.09 0.00 0.00 1.55 0.00 0.00 0.00 179.25 180.71 1uls n VAL 49 N -2.82 0.00 -1.38 0.00 3.14 -0.59 -5.00 118.33 111.67 1uls n VAL 49 Ca -0.02 -0.49 -0.02 0.00 -2.96 0.00 0.00 64.34 60.85 1uls n VAL 49 Cb 0.06 1.02 -0.01 0.00 -1.06 0.00 0.00 33.84 33.86 1uls n VAL 49 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1uls n GLY 50 N 0.15 0.45 3.91 7.55 0.00 0.12 -4.93 105.19 112.44 1uls n GLY 50 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1uls n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls s ALA 51 N -2.08 3.64 -0.30 4.61 0.00 0.40 -4.80 121.76 123.22 1uls s ALA 51 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1uls s ALA 51 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1uls s ALA 51 CO 0.00 0.20 0.62 -1.58 0.00 0.00 0.00 175.76 175.00 1uls s HIS 52 N -2.13 3.22 0.05 0.00 2.46 -0.54 -4.22 115.29 114.14 1uls s HIS 52 Ca 0.43 0.60 -0.30 0.00 0.47 0.00 0.00 55.06 56.26 1uls s HIS 52 Cb -0.11 -2.95 -0.05 0.00 -0.13 0.00 0.00 32.58 29.34 1uls s HIS 52 CO 0.31 -0.45 1.05 -1.25 -2.47 0.00 0.00 174.74 171.93 1uls s PRO 53 N 2.57 4.55 -0.23 2.88 0.04 -1.26 -1.05 135.00 142.50 1uls s PRO 53 Ca 0.25 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1uls s PRO 53 Cb -0.15 -3.40 0.08 0.00 0.04 0.00 0.00 34.50 31.07 1uls s PRO 53 CO 0.11 -0.05 0.10 0.08 0.04 0.00 0.00 177.00 177.28 1uls s VAL 54 N 0.72 0.11 0.93 -0.36 1.01 -0.36 -4.95 120.40 117.51 1uls s VAL 54 Ca 0.53 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1uls s VAL 54 Cb -0.24 -0.89 0.15 0.00 0.00 0.00 0.00 36.38 35.39 1uls s VAL 54 CO 0.29 -0.46 1.10 -0.69 0.00 0.00 0.00 175.10 175.34 1uls s VAL 55 N 2.03 2.48 -0.35 2.92 1.01 -1.26 -3.61 120.40 123.61 1uls s VAL 55 Ca 0.05 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1uls s VAL 55 Cb -0.16 -2.42 0.18 0.00 0.00 0.00 0.00 36.38 33.98 1uls s VAL 55 CO -0.20 -0.20 0.57 -0.62 0.00 0.00 0.00 175.10 174.65 1uls s ASP 57 N -3.02 -1.17 0.02 3.32 -1.08 -1.26 -4.81 116.67 108.68 1uls s ASP 57 Ca 0.65 -0.47 0.01 0.00 -0.52 0.00 0.00 52.55 52.22 1uls s ASP 57 Cb -0.21 1.79 0.08 0.00 -1.46 0.00 0.00 42.92 43.13 1uls s ASP 57 CO 0.58 -0.24 0.99 1.33 0.52 0.00 0.00 175.17 178.36 1uls n VAL 58 N 4.84 1.72 0.93 1.11 0.24 -1.26 -0.27 118.33 125.65 1uls n VAL 58 Ca 0.08 0.52 0.12 0.00 -2.04 0.00 0.00 64.34 63.02 1uls n VAL 58 Cb 0.54 -1.52 0.30 0.00 -1.47 0.00 0.00 33.84 31.69 1uls n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uls n ALA 59 N -1.47 3.24 -3.45 2.33 0.00 -1.26 -4.21 120.51 115.69 1uls n ALA 59 Ca -0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 1uls n ALA 59 Cb 0.06 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 1uls n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uls s ASP 60 N -3.21 4.64 0.24 0.00 3.68 0.63 -4.94 116.67 117.71 1uls s ASP 60 Ca 0.11 -0.70 -0.06 0.00 2.13 0.00 0.00 52.55 54.03 1uls s ASP 60 Cb 0.17 -1.77 0.43 0.00 -1.45 0.00 0.00 42.92 40.30 1uls s ASP 60 CO 0.68 -0.13 1.70 -0.65 0.13 0.00 0.00 175.17 176.90 1uls h PRO 61 N 8.12 0.32 -0.46 4.34 0.11 -1.86 -0.69 132.00 141.88 1uls h PRO 61 Ca -0.34 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.62 1uls h PRO 61 Cb 1.13 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1uls h PRO 61 CO 0.59 0.21 -0.22 0.00 -0.21 0.00 0.00 178.00 178.37 1uls h ALA 62 N 1.56 0.64 -0.70 -0.75 0.00 -1.95 -0.97 119.26 117.10 1uls h ALA 62 Ca 0.39 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1uls h ALA 62 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1uls h ALA 62 CO -0.45 0.64 0.30 1.03 0.00 0.00 0.00 179.25 180.76 1uls h SER 63 N 0.80 0.95 -0.24 0.00 0.87 -1.65 0.06 113.55 114.34 1uls h SER 63 Ca 0.10 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1uls h SER 63 Cb 0.80 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1uls h SER 63 CO 0.07 0.85 0.04 0.58 -0.53 0.00 0.00 176.83 177.84 1uls h VAL 64 N 0.99 1.23 0.02 2.23 2.07 -1.01 -0.72 116.25 121.05 1uls h VAL 64 Ca 0.24 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1uls h VAL 64 Cb 0.19 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1uls h VAL 64 CO -0.02 0.25 -0.09 -0.08 0.02 0.00 0.00 177.57 177.65 1uls h GLU 65 N 0.21 -0.15 -0.29 1.57 4.81 -0.87 -1.13 114.58 118.73 1uls h GLU 65 Ca 0.07 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1uls h GLU 65 Cb 0.33 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1uls h GLU 65 CO 0.01 -0.10 0.19 0.00 -0.73 0.00 0.00 179.01 178.37 1uls h ARG 66 N -0.16 0.37 -0.50 1.92 3.08 -0.96 -2.10 114.38 116.05 1uls h ARG 66 Ca 0.03 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1uls h ARG 66 Cb 0.19 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1uls h ARG 66 CO -0.08 0.25 0.02 0.78 -1.07 0.00 0.00 179.97 179.87 1uls h GLY 67 N 0.39 0.53 1.93 0.04 0.00 -0.81 -0.96 103.07 104.20 1uls h GLY 67 Ca 0.11 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 1uls h GLY 67 CO -0.03 -0.13 -0.41 0.74 0.00 0.00 0.00 176.54 176.72 1uls h PHE 68 N 0.14 0.09 -0.51 5.60 -1.00 -0.96 -1.17 116.94 119.13 1uls h PHE 68 Ca 0.25 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.89 1uls h PHE 68 Cb 0.38 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 1uls h PHE 68 CO -0.30 0.48 -0.16 0.00 -1.61 0.00 0.00 178.31 176.72 1uls h ALA 69 N 1.52 0.71 -0.11 2.45 0.00 -0.63 -0.74 119.26 122.47 1uls h ALA 69 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1uls h ALA 69 Cb 0.75 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1uls h ALA 69 CO 0.06 0.66 0.04 0.93 0.00 0.00 0.00 179.25 180.94 1uls h GLU 70 N 0.88 0.17 -0.63 0.00 5.08 -0.90 -1.20 114.58 117.97 1uls h GLU 70 Ca 0.13 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1uls h GLU 70 Cb 0.73 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1uls h GLU 70 CO 0.06 0.29 0.33 0.00 -1.00 0.00 0.00 179.01 178.69 1uls h ALA 71 N 0.87 0.84 -0.31 3.43 0.00 -1.04 -0.72 119.26 122.34 1uls h ALA 71 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1uls h ALA 71 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uls h ALA 71 CO -0.00 -0.01 -0.25 -0.07 0.00 0.00 0.00 179.25 178.91 1uls h LEU 72 N 0.61 0.61 -1.13 0.00 -0.00 -1.02 0.52 115.31 114.90 1uls h LEU 72 Ca 0.29 -0.22 -0.08 0.00 -0.00 0.00 0.00 57.88 57.87 1uls h LEU 72 Cb 0.22 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1uls h LEU 72 CO -0.20 0.85 -0.24 0.00 -0.00 0.00 0.00 178.44 178.85 1uls h ALA 73 N 1.20 1.27 0.19 1.53 0.00 -0.43 0.94 119.26 123.96 1uls h ALA 73 Ca 0.07 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.34 1uls h ALA 73 Cb 0.71 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1uls h ALA 73 CO 0.05 0.48 -1.64 1.25 0.00 0.00 0.00 179.25 179.40 1uls h HIS 74 N 0.28 0.73 0.13 0.00 -0.00 -0.72 -3.39 115.15 112.18 1uls h HIS 74 Ca 0.04 -0.53 -0.36 0.00 -0.00 0.00 0.00 60.37 59.52 1uls h HIS 74 Cb 0.59 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 1uls h HIS 74 CO 0.01 1.64 -1.94 -0.07 -0.00 0.00 0.00 177.93 177.57 1uls h LEU 75 N 0.05 0.44 0.00 0.26 3.38 0.08 -3.49 115.31 116.02 1uls h LEU 75 Ca -0.32 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.73 1uls h LEU 75 Cb 2.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1uls h LEU 75 CO 0.18 1.81 0.00 0.61 0.09 0.00 0.00 178.44 181.13 1uls n GLY 76 N 1.95 0.95 3.58 0.83 0.00 0.32 -4.94 105.19 107.89 1uls n GLY 76 Ca -0.30 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.74 1uls n GLY 76 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uls s ARG 77 N -0.26 0.15 -0.07 1.61 1.70 -1.26 -5.04 118.95 115.78 1uls s ARG 77 Ca 0.00 -0.08 -0.02 0.00 -0.47 0.00 0.00 55.73 55.16 1uls s ARG 77 Cb 0.00 0.05 0.03 0.00 -0.57 0.00 0.00 34.95 34.46 1uls s ARG 77 CO 0.00 -0.07 0.02 -0.51 -1.08 0.00 0.00 175.30 173.66 1uls s LEU 78 N -2.89 0.49 -0.10 -1.89 1.43 -1.26 -4.78 118.68 109.68 1uls s LEU 78 Ca 0.14 -0.07 0.16 0.00 -1.03 0.00 0.00 54.13 53.33 1uls s LEU 78 Cb 0.06 -0.37 -0.23 0.00 0.03 0.00 0.00 46.19 45.67 1uls s LEU 78 CO -0.05 -0.21 0.41 0.47 0.23 0.00 0.00 176.35 177.19 1uls n ASP 79 N 5.18 0.43 -3.49 2.29 8.00 0.12 -4.88 116.55 124.20 1uls n ASP 79 Ca -0.06 0.20 -0.10 0.00 0.71 0.00 0.00 54.79 55.54 1uls n ASP 79 Cb 0.50 0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 42.14 1uls n ASP 79 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1uls s GLY 80 N -5.20 -0.49 -0.01 0.44 0.00 -0.92 -1.90 107.32 99.24 1uls s GLY 80 Ca -0.07 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1uls s GLY 80 CO 0.83 0.37 0.00 0.14 0.00 0.00 0.00 173.10 174.44 1uls s VAL 81 N -3.06 0.06 -0.18 1.40 1.01 -0.76 -2.01 120.40 116.87 1uls s VAL 81 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1uls s VAL 81 Cb -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.30 1uls s VAL 81 CO -0.09 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.23 1uls s VAL 82 N 0.36 1.81 -0.27 2.92 1.01 -0.12 -0.58 120.40 125.54 1uls s VAL 82 Ca -0.03 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1uls s VAL 82 Cb -0.05 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1uls s VAL 82 CO -0.01 0.38 0.15 -2.28 0.00 0.00 0.00 175.10 173.34 1uls s HIS 83 N 1.37 3.19 -0.03 5.22 2.46 0.32 -1.74 115.29 126.07 1uls s HIS 83 Ca 0.02 -0.03 0.01 0.00 0.47 0.00 0.00 55.06 55.54 1uls s HIS 83 Cb -0.14 -2.32 -0.03 0.00 -0.13 0.00 0.00 32.58 29.96 1uls s HIS 83 CO -0.10 -0.19 -0.00 0.66 -2.47 0.00 0.00 174.74 172.63 1uls n TYR 84 N 4.92 0.00 -1.34 3.88 0.53 -1.21 -2.16 117.16 121.79 1uls n TYR 84 Ca -0.15 0.00 -0.52 0.00 -1.02 0.00 0.00 57.90 56.21 1uls n TYR 84 Cb 0.52 -0.12 -0.08 0.00 -1.03 0.00 0.00 39.34 38.64 1uls n TYR 84 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1uls n ALA 85 N -2.25 -1.60 -3.55 -0.72 0.00 -1.25 -4.89 120.51 106.24 1uls n ALA 85 Ca -0.04 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.74 1uls n ALA 85 Cb 0.57 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1uls n ALA 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1uls s GLY 86 N 1.74 -0.42 0.11 0.00 0.00 -1.26 -4.81 107.32 102.68 1uls s GLY 86 Ca 0.80 0.94 -0.06 0.00 0.00 0.00 0.00 44.72 46.40 1uls s GLY 86 CO 0.60 0.30 0.16 -0.26 0.00 0.00 0.00 173.10 173.90 1uls s ILE 87 N -3.06 0.13 0.13 0.90 -4.36 -1.26 -5.05 121.20 108.62 1uls s ILE 87 Ca 0.07 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 59.04 1uls s ILE 87 Cb -0.01 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 1uls s ILE 87 CO -0.07 -0.57 -0.13 0.42 0.24 0.00 0.00 174.94 174.82 1uls s THR 88 N -3.94 1.33 -0.45 8.37 -4.23 -1.26 -4.91 115.64 110.57 1uls s THR 88 Ca 0.12 -1.80 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1uls s THR 88 Cb 0.05 -1.61 0.24 0.00 1.34 0.00 0.00 72.50 72.53 1uls s THR 88 CO -0.05 -0.47 0.70 -1.14 -0.54 0.00 0.00 174.62 173.12 1uls n ARG 89 N 0.37 0.72 -1.80 3.99 3.00 -1.26 -5.06 116.66 116.62 1uls n ARG 89 Ca -0.14 -2.43 -0.37 0.00 -0.00 0.00 0.00 57.85 54.91 1uls n ARG 89 Cb 0.58 -1.37 0.05 0.00 0.00 0.00 0.00 32.46 31.72 1uls n ARG 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1uls s ASP 90 N -1.29 4.89 0.00 6.15 1.01 -1.26 -4.91 116.67 121.26 1uls s ASP 90 Ca 0.33 2.63 0.00 0.00 0.71 0.00 0.00 52.55 56.23 1uls s ASP 90 Cb 0.19 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1uls s ASP 90 CO -0.18 -1.81 0.00 0.59 0.21 0.00 0.00 175.17 173.98 1uls n ASN 91 N -1.59 0.00 -4.74 0.27 3.02 0.74 -5.04 115.26 107.93 1uls n ASN 91 Ca 0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 1uls n ASN 91 Cb 0.47 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.70 1uls n ASN 91 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1uls s PHE 92 N -1.09 2.19 0.33 3.10 0.40 -1.26 -4.23 117.98 117.43 1uls s PHE 92 Ca 0.00 1.51 0.07 0.00 -0.60 0.00 0.00 56.93 57.91 1uls s PHE 92 Cb 0.00 -3.58 0.74 0.00 0.51 0.00 0.00 43.02 40.70 1uls s PHE 92 CO 0.00 -2.60 1.86 1.12 0.70 0.00 0.00 175.22 176.30 1uls h HIS 93 N 0.55 0.91 0.00 0.36 2.07 -2.00 -0.92 115.15 116.11 1uls h HIS 93 Ca -0.50 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1uls h HIS 93 Cb 1.32 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 31.01 1uls h HIS 93 CO 0.44 0.34 0.00 0.11 -3.07 0.00 0.00 177.93 175.76 1uls h TRP 94 N 0.78 0.00 -3.43 6.12 0.09 -2.04 -3.45 115.95 114.02 1uls h TRP 94 Ca 0.46 0.00 -0.68 0.00 0.09 0.00 0.00 58.89 58.77 1uls h TRP 94 Cb 0.65 0.00 -0.37 0.00 0.08 0.00 0.00 29.16 29.52 1uls h TRP 94 CO -0.00 0.00 -0.41 0.15 0.09 0.00 0.00 178.44 178.27 1uls s LYS 95 N -3.44 2.52 -0.04 0.12 1.02 -0.35 -5.19 119.74 114.37 1uls s LYS 95 Ca 0.02 -2.76 -0.04 0.00 0.02 0.00 0.00 55.97 53.21 1uls s LYS 95 Cb 0.08 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1uls s LYS 95 CO 0.34 -1.18 0.12 -1.25 -0.92 0.00 0.00 175.35 172.46 1uls s PRO 97 N -0.46 0.15 0.21 -1.68 0.04 -1.26 -4.87 135.00 127.13 1uls s PRO 97 Ca 0.19 0.15 -0.20 0.00 0.04 0.00 0.00 61.00 61.19 1uls s PRO 97 Cb -0.18 0.07 0.18 0.00 0.04 0.00 0.00 34.50 34.61 1uls s PRO 97 CO -0.05 -0.02 1.56 1.25 0.04 0.00 0.00 177.00 179.78 1uls h LEU 98 N 5.91 -1.49 -0.88 -3.56 6.46 -1.99 0.16 115.31 119.92 1uls h LEU 98 Ca -0.25 0.30 0.24 0.00 -0.12 0.00 0.00 57.88 58.05 1uls h LEU 98 Cb 1.20 0.75 -0.15 0.00 -0.73 0.00 0.00 40.66 41.74 1uls h LEU 98 CO 0.43 -0.29 0.21 1.05 -0.62 0.00 0.00 178.44 179.22 1uls h GLU 99 N -0.04 0.17 -0.23 1.25 4.11 -2.04 0.37 114.58 118.17 1uls h GLU 99 Ca 0.30 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.63 1uls h GLU 99 Cb 0.57 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1uls h GLU 99 CO -0.92 0.11 -0.25 -0.44 0.07 0.00 0.00 179.01 177.58 1uls h ASP 100 N 0.18 0.43 -0.09 3.06 5.19 -1.10 0.31 116.42 124.40 1uls h ASP 100 Ca 0.55 -0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.79 1uls h ASP 100 Cb 1.12 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 1uls h ASP 100 CO -0.68 0.68 -0.06 -0.25 -3.12 0.00 0.00 179.24 175.81 1uls h TRP 101 N 0.38 0.23 -0.00 4.55 2.91 0.05 -3.09 115.95 120.99 1uls h TRP 101 Ca 0.06 -0.06 -0.10 0.00 1.13 0.00 0.00 58.89 59.92 1uls h TRP 101 Cb 0.65 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1uls h TRP 101 CO 0.02 0.58 -0.47 0.93 -1.03 0.00 0.00 178.44 178.47 1uls h GLU 102 N -0.18 0.00 0.05 2.65 5.08 -0.75 -2.84 114.58 118.58 1uls h GLU 102 Ca 0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1uls h GLU 102 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1uls h GLU 102 CO 0.02 0.47 -0.02 1.25 -1.00 0.00 0.00 179.01 179.72 1uls h LEU 103 N 0.00 -0.05 -1.20 1.33 5.85 -0.94 -0.47 115.31 119.83 1uls h LEU 103 Ca -0.00 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 1uls h LEU 103 Cb 0.83 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1uls h LEU 103 CO 0.06 0.24 -0.37 -0.37 -0.34 0.00 0.00 178.44 177.67 1uls h VAL 104 N -0.35 1.27 -0.37 1.05 -1.51 -1.54 0.51 116.25 115.32 1uls h VAL 104 Ca -0.01 -1.30 -0.13 0.00 -1.23 0.00 0.00 66.70 64.03 1uls h VAL 104 Cb 0.32 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1uls h VAL 104 CO 0.01 0.38 -0.29 -0.07 -1.23 0.00 0.00 177.57 176.37 1uls h LEU 105 N 0.05 0.88 -0.18 4.19 3.38 -1.42 0.31 115.31 122.53 1uls h LEU 105 Ca 0.00 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1uls h LEU 105 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1uls h LEU 105 CO 0.05 1.14 -0.02 -0.09 0.09 0.00 0.00 178.44 179.62 1uls h ARG 106 N 0.64 0.32 -0.02 1.13 2.43 -0.65 -0.33 114.38 117.91 1uls h ARG 106 Ca 0.07 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1uls h ARG 106 Cb 0.86 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1uls h ARG 106 CO 0.08 0.56 -0.08 0.28 -1.51 0.00 0.00 179.97 179.29 1uls h VAL 107 N 0.06 1.50 0.03 0.20 2.07 -0.90 -1.27 116.25 117.93 1uls h VAL 107 Ca 0.05 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1uls h VAL 107 Cb 0.42 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1uls h VAL 107 CO 0.01 0.42 -0.01 0.78 0.02 0.00 0.00 177.57 178.79 1uls h ASN 108 N -0.53 -0.03 0.00 0.57 2.35 -0.46 -3.04 115.58 114.43 1uls h ASN 108 Ca -0.00 -0.69 -0.00 0.00 -0.55 0.00 0.00 56.30 55.05 1uls h ASN 108 Cb 0.73 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 1uls h ASN 108 CO 0.02 0.75 -0.06 0.25 -1.65 0.00 0.00 177.43 176.74 1uls h LEU 109 N -0.89 0.00 -1.23 1.61 5.85 -1.21 -2.94 115.31 116.50 1uls h LEU 109 Ca -0.00 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1uls h LEU 109 Cb 0.72 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1uls h LEU 109 CO 0.01 0.56 -0.03 0.74 -0.34 0.00 0.00 178.44 179.37 1uls h THR 110 N -1.00 1.20 -0.68 1.05 2.02 -1.19 -1.74 112.91 112.57 1uls h THR 110 Ca -0.00 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.40 1uls h THR 110 Cb 0.11 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1uls h THR 110 CO -0.00 0.27 0.42 1.23 0.37 0.00 0.00 175.52 177.81 1uls h GLY 111 N 0.83 0.98 1.03 2.16 0.00 -1.10 0.29 103.07 107.25 1uls h GLY 111 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1uls h GLY 111 CO 0.01 0.26 0.30 1.76 0.00 0.00 0.00 176.54 178.87 1uls h SER 112 N 0.81 1.01 -0.29 0.19 0.02 -1.17 -1.96 113.55 112.16 1uls h SER 112 Ca 0.28 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1uls h SER 112 Cb 0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1uls h SER 112 CO -0.11 0.90 0.18 0.15 -1.14 0.00 0.00 176.83 176.81 1uls h PHE 113 N 1.05 0.37 -0.55 3.45 3.57 -0.49 0.22 116.94 124.55 1uls h PHE 113 Ca 0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1uls h PHE 113 Cb 0.21 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1uls h PHE 113 CO 0.02 0.25 0.29 -0.07 -2.23 0.00 0.00 178.31 176.57 1uls h LEU 114 N 0.38 0.70 -0.29 0.59 3.38 -0.75 0.10 115.31 119.43 1uls h LEU 114 Ca 0.10 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1uls h LEU 114 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1uls h LEU 114 CO -0.02 0.61 -0.15 0.58 0.09 0.00 0.00 178.44 179.55 1uls h VAL 115 N 0.75 1.30 -0.46 1.22 2.07 -1.16 -1.67 116.25 118.30 1uls h VAL 115 Ca 0.19 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1uls h VAL 115 Cb 0.07 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1uls h VAL 115 CO -0.03 0.40 0.18 0.00 0.02 0.00 0.00 177.57 178.14 1uls h ALA 116 N 0.74 0.59 -0.44 1.67 0.00 -0.40 -0.27 119.26 121.15 1uls h ALA 116 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uls h ALA 116 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1uls h ALA 116 CO 0.04 0.21 0.26 -0.22 0.00 0.00 0.00 179.25 179.54 1uls h LYS 117 N 0.60 0.61 -0.46 0.00 3.64 -0.77 -0.14 116.57 120.04 1uls h LYS 117 Ca 0.15 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1uls h LYS 117 Cb 0.20 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1uls h LYS 117 CO -0.01 0.46 -0.08 0.00 -2.27 0.00 0.00 179.45 177.55 1uls h ALA 118 N 1.11 0.63 -0.68 5.00 0.00 -1.15 -1.07 119.26 123.10 1uls h ALA 118 Ca 0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1uls h ALA 118 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1uls h ALA 118 CO -0.03 0.50 0.23 0.00 0.00 0.00 0.00 179.25 179.95 1uls h ALA 119 N 0.88 0.88 -0.38 0.00 0.00 -0.84 -2.03 119.26 117.78 1uls h ALA 119 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1uls h ALA 119 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1uls h ALA 119 CO 0.04 0.54 0.13 1.03 0.00 0.00 0.00 179.25 180.99 1uls h SER 120 N 0.98 0.54 -0.44 0.00 0.87 -0.87 -2.69 113.55 111.93 1uls h SER 120 Ca 0.22 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1uls h SER 120 Cb 0.27 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1uls h SER 120 CO -0.01 0.59 0.29 -0.08 -0.53 0.00 0.00 176.83 177.09 1uls h GLU 121 N 0.47 0.55 -0.25 2.24 4.22 -0.97 0.61 114.58 121.46 1uls h GLU 121 Ca 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1uls h GLU 121 Cb 0.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1uls h GLU 121 CO -0.01 0.36 0.00 0.00 -2.18 0.00 0.00 179.01 177.19 1uls n ALA 122 N -2.48 2.23 -1.30 2.92 0.00 -0.78 -4.99 120.51 116.11 1uls n ALA 122 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1uls n ALA 122 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1uls n ALA 122 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1uls n ARG 124 N -0.30 0.00 -1.19 0.00 0.63 0.21 -4.55 116.66 111.46 1uls n ARG 124 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1uls n ARG 124 Cb 0.06 -0.43 -0.03 0.00 0.45 0.00 0.00 32.46 32.51 1uls n ARG 124 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1uls n GLU 125 N 1.06 -1.40 -0.06 -0.14 1.02 -1.26 -4.76 120.64 115.10 1uls n GLU 125 Ca 0.00 0.66 -0.11 0.00 -0.02 0.00 0.00 57.16 57.69 1uls n GLU 125 Cb 0.00 -4.85 -0.04 0.00 -0.02 0.00 0.00 31.44 26.53 1uls n GLU 125 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uls n LYS 126 N -0.92 0.25 -3.55 3.49 4.01 -1.26 -5.11 118.16 115.08 1uls n LYS 126 Ca -0.07 0.10 -0.06 0.00 -0.51 0.00 0.00 58.31 57.77 1uls n LYS 126 Cb 0.45 -0.99 -0.02 0.00 -0.51 0.00 0.00 35.03 33.96 1uls n LYS 126 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1uls s ASN 127 N -5.79 -0.25 1.06 4.39 4.22 -1.26 -5.16 114.94 112.15 1uls s ASN 127 Ca -0.16 0.01 -0.12 0.00 -2.14 0.00 0.00 52.86 50.45 1uls s ASN 127 Cb 0.06 0.26 0.22 0.00 1.28 0.00 0.00 41.25 43.07 1uls s ASN 127 CO 0.22 -0.42 1.07 -2.16 -2.04 0.00 0.00 177.10 173.76 1uls s PRO 128 N -2.74 -0.08 0.07 3.55 0.04 -1.26 -4.59 135.00 129.99 1uls s PRO 128 Ca 0.07 0.84 -0.26 0.00 0.04 0.00 0.00 61.00 61.69 1uls s PRO 128 Cb -0.01 -1.65 0.09 0.00 0.04 0.00 0.00 34.50 32.97 1uls s PRO 128 CO -0.07 -3.16 1.17 0.20 0.04 0.00 0.00 177.00 175.18 1uls s GLY 129 N -2.89 -0.08 -0.03 0.56 0.00 -0.87 -4.83 107.32 99.17 1uls s GLY 129 Ca 0.67 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 45.39 1uls s GLY 129 CO 0.61 3.20 -0.04 -0.45 0.00 0.00 0.00 173.10 176.42 1uls s SER 130 N -3.47 0.75 -0.11 1.64 0.15 -0.80 -0.71 113.70 111.14 1uls s SER 130 Ca 0.23 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.80 1uls s SER 130 Cb -0.01 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1uls s SER 130 CO 0.01 -0.02 -0.19 -0.63 1.20 0.00 0.00 173.24 173.61 1uls s ILE 131 N 0.60 1.76 -0.22 6.45 1.01 0.88 -1.83 121.20 129.84 1uls s ILE 131 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1uls s ILE 131 Cb -0.11 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1uls s ILE 131 CO -0.00 0.49 -0.12 -0.69 0.00 0.00 0.00 174.94 174.62 1uls s VAL 132 N 0.79 2.44 -0.00 2.92 1.01 0.26 -0.99 120.40 126.83 1uls s VAL 132 Ca -0.10 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.78 1uls s VAL 132 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1uls s VAL 132 CO 0.01 0.29 0.09 -0.76 0.00 0.00 0.00 175.10 174.72 1uls s LEU 133 N 1.27 3.92 -0.25 3.92 1.43 -0.09 -0.52 118.68 128.36 1uls s LEU 133 Ca 0.00 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 1uls s LEU 133 Cb -0.16 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1uls s LEU 133 CO -0.08 0.27 0.04 -0.89 0.23 0.00 0.00 176.35 175.92 1uls s THR 134 N -1.21 3.99 0.00 5.49 2.01 -0.92 -0.22 115.64 124.78 1uls s THR 134 Ca 0.23 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1uls s THR 134 Cb -0.12 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1uls s THR 134 CO 0.15 0.32 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 1uls n ALA 135 N 4.88 0.00 -3.61 7.40 0.00 0.33 -4.91 120.51 124.59 1uls n ALA 135 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1uls n ALA 135 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1uls n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uls s SER 136 N -0.32 -0.15 0.50 0.00 0.15 -1.25 -4.43 113.70 108.19 1uls s SER 136 Ca 0.00 0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.02 1uls s SER 136 Cb 0.00 0.13 1.30 0.00 -1.71 0.00 0.00 66.02 65.74 1uls s SER 136 CO 0.00 -0.16 1.94 -0.09 1.20 0.00 0.00 173.24 176.13 1uls h ARG 137 N 2.19 0.13 0.00 5.44 1.12 -1.63 0.29 114.38 121.92 1uls h ARG 137 Ca -0.11 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 1uls h ARG 137 Cb 1.18 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1uls h ARG 137 CO 0.25 0.09 0.00 0.28 -3.11 0.00 0.00 179.97 177.48 1uls n VAL 138 N -4.39 1.54 0.24 0.20 0.31 -1.26 -2.64 118.33 112.32 1uls n VAL 138 Ca 0.13 0.38 0.12 0.00 -0.01 0.00 0.00 64.34 64.97 1uls n VAL 138 Cb 0.67 -1.28 0.60 0.00 -0.91 0.00 0.00 33.84 32.93 1uls n VAL 138 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1uls h TYR 139 N 0.00 0.00 -0.24 3.52 -0.00 -1.17 0.13 116.97 119.21 1uls h TYR 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1uls h TYR 139 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.84 1uls h TYR 139 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1uls n LEU 140 N -2.33 1.53 0.00 0.10 4.77 -1.08 -4.52 117.00 115.48 1uls n LEU 140 Ca -0.01 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1uls n LEU 140 Cb 0.10 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1uls n LEU 140 CO 0.13 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1uls n GLY 141 N 1.01 1.95 3.53 -0.72 0.00 0.46 -5.08 105.19 106.34 1uls n GLY 141 Ca 0.12 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1uls n GLY 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uls s ASN 142 N 0.00 -0.69 0.12 1.61 2.47 -1.26 -4.87 114.94 112.33 1uls s ASN 142 Ca 0.00 1.28 -0.35 0.00 0.42 0.00 0.00 52.86 54.21 1uls s ASN 142 Cb 0.00 1.27 -0.16 0.00 -1.45 0.00 0.00 41.25 40.91 1uls s ASN 142 CO 0.00 -0.22 1.38 0.18 -3.72 0.00 0.00 177.10 174.72 1uls n LEU 143 N 3.07 2.07 0.00 3.21 4.77 -1.26 -1.50 117.00 127.37 1uls n LEU 143 Ca -0.15 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1uls n LEU 143 Cb 0.56 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1uls n LEU 143 CO 0.05 -0.86 0.00 0.61 -1.33 0.00 0.00 177.39 175.86 1uls n GLY 144 N 2.66 0.36 2.42 -0.72 0.00 -1.26 -4.90 105.19 103.74 1uls n GLY 144 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1uls n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uls n GLN 145 N -1.52 2.73 -0.20 1.61 6.02 -0.56 -0.19 117.38 125.28 1uls n GLN 145 Ca 0.00 -3.92 -0.02 0.00 -0.01 0.00 0.00 57.00 53.05 1uls n GLN 145 Cb 0.16 -1.95 0.09 0.00 1.02 0.00 0.00 30.24 29.56 1uls n GLN 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uls h ALA 146 N 2.48 0.76 -0.25 -1.58 0.00 -1.80 0.18 119.26 119.05 1uls h ALA 146 Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1uls h ALA 146 Cb 1.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1uls h ALA 146 CO 0.58 -0.10 0.04 -2.95 0.00 0.00 0.00 179.25 176.81 1uls h ASN 147 N 0.50 0.40 -0.53 0.00 -1.07 -1.90 -0.80 115.58 112.17 1uls h ASN 147 Ca 0.28 -0.26 -0.08 0.00 0.07 0.00 0.00 56.30 56.31 1uls h ASN 147 Cb 0.25 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 36.38 1uls h ASN 147 CO -0.23 0.56 0.03 0.22 0.07 0.00 0.00 177.43 178.08 1uls h TYR 148 N 0.22 0.99 -0.19 4.14 3.20 -1.83 -1.46 116.97 122.04 1uls h TYR 148 Ca 0.08 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1uls h TYR 148 Cb 0.33 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1uls h TYR 148 CO 0.02 0.90 0.07 0.00 -1.64 0.00 0.00 178.16 177.52 1uls h ALA 149 N 0.96 0.25 -0.45 1.82 0.00 -0.61 -3.07 119.26 118.16 1uls h ALA 149 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1uls h ALA 149 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1uls h ALA 149 CO 0.02 -0.16 0.25 0.00 0.00 0.00 0.00 179.25 179.36 1uls h ALA 150 N 0.91 0.57 0.00 0.00 0.00 -1.09 0.10 119.26 119.75 1uls h ALA 150 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uls h ALA 150 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uls h ALA 150 CO -0.00 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 1uls n SER 151 N -4.70 0.35 0.00 0.00 3.41 -0.56 -0.98 113.62 111.15 1uls n SER 151 Ca 0.01 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1uls n SER 151 Cb 0.08 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1uls n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uls n ALA 153 N 0.49 0.00 -0.22 7.33 0.00 0.35 -1.65 120.51 126.81 1uls n ALA 153 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1uls n ALA 153 Cb 0.07 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.65 1uls n ALA 153 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1uls h GLY 154 N 0.00 1.10 1.02 0.00 0.00 -1.28 -1.82 103.07 102.09 1uls h GLY 154 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1uls h GLY 154 CO 0.00 0.59 0.30 -2.08 0.00 0.00 0.00 176.54 175.35 1uls h VAL 155 N 0.99 1.24 -0.38 4.60 2.07 -1.58 0.63 116.25 123.83 1uls h VAL 155 Ca 0.22 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1uls h VAL 155 Cb 0.27 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1uls h VAL 155 CO -0.01 0.30 0.25 0.58 0.02 0.00 0.00 177.57 178.70 1uls h VAL 156 N 0.99 1.08 -0.28 2.57 2.07 -1.73 0.19 116.25 121.15 1uls h VAL 156 Ca 0.24 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1uls h VAL 156 Cb 0.18 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1uls h VAL 156 CO -0.02 0.09 0.02 1.23 0.02 0.00 0.00 177.57 178.91 1uls h GLY 157 N 0.50 0.44 0.96 2.17 0.00 -0.92 -1.73 103.07 104.49 1uls h GLY 157 Ca 0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1uls h GLY 157 CO -0.04 0.22 -0.29 -2.00 0.00 0.00 0.00 176.54 174.44 1uls h LEU 158 N 0.40 0.72 0.22 3.11 5.85 0.13 -2.61 115.31 123.14 1uls h LEU 158 Ca 0.09 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1uls h LEU 158 Cb 0.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1uls h LEU 158 CO 0.00 1.05 -0.22 0.74 -0.34 0.00 0.00 178.44 179.68 1uls h THR 159 N 0.41 0.52 -0.90 1.05 2.02 -0.24 -0.51 112.91 115.26 1uls h THR 159 Ca 0.04 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.34 1uls h THR 159 Cb 0.85 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 1uls h THR 159 CO 0.07 0.00 0.53 0.03 0.37 0.00 0.00 175.52 176.52 1uls h ARG 160 N -0.47 0.79 -0.01 6.66 3.08 -1.34 0.11 114.38 123.20 1uls h ARG 160 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1uls h ARG 160 Cb 0.44 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1uls h ARG 160 CO -0.05 0.53 -0.00 1.15 -1.07 0.00 0.00 179.97 180.52 1uls h THR 161 N 0.82 1.31 -0.03 2.04 2.02 -1.12 -2.80 112.91 115.14 1uls h THR 161 Ca 0.46 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1uls h THR 161 Cb 0.51 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1uls h THR 161 CO -0.29 0.24 0.03 -0.07 0.37 0.00 0.00 175.52 175.80 1uls h LEU 162 N -0.36 0.00 -0.43 2.58 4.07 -0.48 -1.05 115.31 119.64 1uls h LEU 162 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1uls h LEU 162 Cb 0.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1uls h LEU 162 CO 0.00 0.00 -0.31 0.00 -1.08 0.00 0.00 178.44 177.05 1uls h ALA 163 N 1.98 0.62 -0.31 1.53 0.00 -0.66 -0.81 119.26 121.61 1uls h ALA 163 Ca 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1uls h ALA 163 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1uls h ALA 163 CO -0.00 0.67 0.09 -0.07 0.00 0.00 0.00 179.25 179.94 1uls h LEU 164 N 0.81 0.46 -0.93 0.00 3.38 -0.97 -0.15 115.31 117.91 1uls h LEU 164 Ca 0.08 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1uls h LEU 164 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1uls h LEU 164 CO 0.08 0.55 -0.41 -0.33 0.09 0.00 0.00 178.44 178.42 1uls h GLU 165 N 0.34 0.00 0.00 1.13 5.08 -1.21 -3.27 114.58 116.65 1uls h GLU 165 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1uls h GLU 165 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1uls h GLU 165 CO -0.00 0.41 -1.11 1.28 -1.00 0.00 0.00 179.01 178.59 1uls n LEU 166 N -3.60 0.83 -0.25 1.33 4.77 -0.32 -4.62 117.00 115.14 1uls n LEU 166 Ca -0.00 -0.43 0.04 0.00 -0.03 0.00 0.00 56.01 55.58 1uls n LEU 166 Cb 0.52 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.74 1uls n LEU 166 CO 0.38 0.21 0.79 1.23 -1.33 0.00 0.00 177.39 178.66 1uls h GLY 167 N 4.71 0.74 2.00 -0.72 0.00 -1.07 -0.35 103.07 108.38 1uls h GLY 167 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1uls h GLY 167 CO 0.00 -0.29 -0.25 0.07 0.00 0.00 0.00 176.54 176.08 1uls h ARG 168 N 0.07 0.00 -0.61 4.80 0.11 -1.82 -2.73 114.38 114.20 1uls h ARG 168 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1uls h ARG 168 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1uls h ARG 168 CO -0.69 0.25 0.00 0.91 0.10 0.00 0.00 179.97 180.54 1uls n TRP 169 N -3.79 0.34 -1.07 4.08 5.03 -0.15 -4.86 117.44 117.01 1uls n TRP 169 Ca -0.01 -0.13 -0.02 0.00 3.03 0.00 0.00 57.50 60.36 1uls n TRP 169 Cb 0.34 -0.11 -0.01 0.00 -1.03 0.00 0.00 31.31 30.50 1uls n TRP 169 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1uls n GLY 170 N 0.38 0.40 3.48 6.99 0.00 -1.03 -4.41 105.19 111.00 1uls n GLY 170 Ca 0.05 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1uls n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uls s ILE 171 N -1.56 4.77 0.10 -0.61 1.01 -1.14 -2.06 121.20 121.70 1uls s ILE 171 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1uls s ILE 171 Cb 0.00 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 1uls s ILE 171 CO 0.00 0.12 0.46 -0.13 0.00 0.00 0.00 174.94 175.39 1uls s ARG 172 N 1.65 3.86 -0.09 2.79 0.52 0.11 -3.88 118.95 123.91 1uls s ARG 172 Ca 0.05 0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 55.58 1uls s ARG 172 Cb -0.17 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.33 1uls s ARG 172 CO 0.07 0.54 -0.06 0.08 0.02 0.00 0.00 175.30 175.96 1uls s VAL 173 N -1.39 0.85 0.13 3.52 1.01 -1.26 -0.08 120.40 123.18 1uls s VAL 173 Ca 0.34 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1uls s VAL 173 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1uls s VAL 173 CO 0.18 0.33 -0.03 0.20 0.00 0.00 0.00 175.10 175.78 1uls s ASN 174 N 1.60 1.07 -0.01 3.32 0.01 -0.16 0.04 114.94 120.81 1uls s ASN 174 Ca 0.02 -1.09 0.05 0.00 -0.71 0.00 0.00 52.86 51.13 1uls s ASN 174 Cb -0.13 0.13 -0.01 0.00 0.41 0.00 0.00 41.25 41.64 1uls s ASN 174 CO -0.06 -0.54 -0.16 0.28 -1.51 0.00 0.00 177.10 175.12 1uls s THR 175 N -3.68 1.27 -0.10 1.60 -1.32 -0.33 -0.92 115.64 112.16 1uls s THR 175 Ca 0.18 -0.70 -0.07 0.00 -1.21 0.00 0.00 61.69 59.90 1uls s THR 175 Cb 0.06 -1.06 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1uls s THR 175 CO -0.01 0.35 0.15 -0.76 -2.21 0.00 0.00 174.62 172.15 1uls s LEU 176 N -0.40 4.39 -0.56 9.08 1.43 0.70 -0.82 118.68 132.50 1uls s LEU 176 Ca 0.06 0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1uls s LEU 176 Cb -0.06 -2.16 0.17 0.00 0.03 0.00 0.00 46.19 44.17 1uls s LEU 176 CO -0.01 0.39 0.42 0.00 0.23 0.00 0.00 176.35 177.38 1uls n ALA 177 N 1.83 3.15 -1.37 4.21 0.00 -0.06 0.12 120.51 128.39 1uls n ALA 177 Ca -0.19 -3.82 -0.32 0.00 0.00 0.00 0.00 53.44 49.11 1uls n ALA 177 Cb 0.55 -0.89 0.07 0.00 0.00 0.00 0.00 19.45 19.18 1uls n ALA 177 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1uls s PRO 178 N -0.72 2.50 0.00 0.00 0.04 -1.26 -1.69 135.00 133.86 1uls s PRO 178 Ca 0.29 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1uls s PRO 178 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1uls s PRO 178 CO -0.18 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1uls n GLY 179 N -0.92 0.94 3.51 0.56 0.00 0.25 -2.68 105.19 106.85 1uls n GLY 179 Ca 0.10 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1uls n GLY 179 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uls s PHE 180 N 4.17 2.46 -0.12 1.61 5.36 -1.26 -4.97 117.98 125.22 1uls s PHE 180 Ca 0.00 -0.30 -0.04 0.00 -0.96 0.00 0.00 56.93 55.63 1uls s PHE 180 Cb 0.00 -4.49 -0.04 0.00 -0.34 0.00 0.00 43.02 38.15 1uls s PHE 180 CO 0.00 -1.90 0.04 0.42 -1.46 0.00 0.00 175.22 172.32 1uls s ILE 181 N 5.00 4.61 -0.33 3.12 -1.09 -1.26 0.50 121.20 131.76 1uls s ILE 181 Ca 0.30 -0.12 -0.29 0.00 -2.23 0.00 0.00 60.65 58.31 1uls s ILE 181 Cb -0.11 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1uls s ILE 181 CO 0.12 0.56 1.37 -0.70 -1.23 0.00 0.00 174.94 175.05 1uls s GLU 182 N -0.45 3.79 0.36 2.79 2.56 0.37 -4.77 118.70 123.36 1uls s GLU 182 Ca 0.09 1.19 -0.01 0.00 0.00 0.00 0.00 54.97 56.24 1uls s GLU 182 Cb -0.12 -3.94 0.01 0.00 2.00 0.00 0.00 34.13 32.08 1uls s GLU 182 CO 0.02 -1.28 0.49 0.25 -0.56 0.00 0.00 175.26 174.18 1uls n THR 183 N 6.51 0.00 -0.25 -1.70 -2.24 -1.26 -4.26 114.28 111.08 1uls n THR 183 Ca 0.16 -1.88 -0.03 0.00 -2.27 0.00 0.00 64.05 60.03 1uls n THR 183 Cb 0.47 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.80 1uls n THR 183 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1uls n ARG 184 N -0.60 0.50 0.00 -0.78 1.85 -1.26 -0.17 116.66 116.20 1uls n ARG 184 Ca 0.01 -0.24 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 1uls n ARG 184 Cb 0.61 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 1uls n ARG 184 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1uls n THR 186 N 2.78 0.00 -0.22 8.89 -2.24 -1.26 -4.43 114.28 117.80 1uls n THR 186 Ca 0.10 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.14 1uls n THR 186 Cb 0.23 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.10 1uls n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uls h ALA 187 N 0.00 2.62 -0.87 6.98 0.00 -0.94 -2.62 119.26 124.43 1uls h ALA 187 Ca 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1uls h ALA 187 Cb 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.41 1uls h ALA 187 CO 0.00 -0.90 -0.89 1.63 0.00 0.00 0.00 179.25 179.09 1uls n LYS 188 N -4.37 3.03 -2.55 0.00 5.02 -1.26 -5.04 118.16 112.99 1uls n LYS 188 Ca 0.20 -4.05 -0.41 0.00 -2.02 0.00 0.00 58.31 52.04 1uls n LYS 188 Cb 0.89 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1uls n LYS 188 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uls s VAL 189 N -4.53 3.79 0.33 -0.18 1.01 -0.99 -4.93 120.40 114.89 1uls s VAL 189 Ca 0.44 1.68 -0.27 0.00 0.00 0.00 0.00 61.98 63.83 1uls s VAL 189 Cb 0.39 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 32.57 1uls s VAL 189 CO -0.02 0.35 0.98 -0.81 0.00 0.00 0.00 175.10 175.60 1uls n PRO 190 N 1.78 1.31 -0.39 2.72 -0.04 -1.26 -4.67 135.00 134.45 1uls n PRO 190 Ca 0.00 0.46 0.33 0.00 -0.04 0.00 0.00 63.50 64.25 1uls n PRO 190 Cb 0.46 -1.87 0.65 0.00 -0.04 0.00 0.00 33.50 32.70 1uls n PRO 190 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uls h GLU 191 N 1.80 0.15 -0.55 0.54 4.39 -2.00 0.61 114.58 119.53 1uls h GLU 191 Ca -0.41 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.33 1uls h GLU 191 Cb 1.34 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.91 1uls h GLU 191 CO 0.59 0.10 0.29 0.87 -1.16 0.00 0.00 179.01 179.70 1uls h LYS 192 N 0.16 0.55 -0.19 2.33 6.56 -1.99 0.21 116.57 124.20 1uls h LYS 192 Ca 0.67 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 60.19 1uls h LYS 192 Cb 2.21 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 33.74 1uls h LYS 192 CO -0.21 0.36 -0.04 0.28 -2.06 0.00 0.00 179.45 177.79 1uls h VAL 193 N 0.56 1.28 0.03 0.50 2.07 -1.20 -1.20 116.25 118.30 1uls h VAL 193 Ca 0.24 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1uls h VAL 193 Cb 0.12 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1uls h VAL 193 CO -0.15 0.30 -0.02 -0.09 0.02 0.00 0.00 177.57 177.63 1uls h ARG 194 N 0.07 -0.04 -0.93 1.57 2.43 -1.27 -1.54 114.38 114.67 1uls h ARG 194 Ca 0.05 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1uls h ARG 194 Cb 0.47 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 1uls h ARG 194 CO 0.02 -0.02 0.60 1.49 -1.51 0.00 0.00 179.97 180.55 1uls h GLU 195 N -0.06 0.96 0.21 0.20 4.81 -0.58 -1.90 114.58 118.22 1uls h GLU 195 Ca -0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1uls h GLU 195 Cb 0.04 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1uls h GLU 195 CO 0.01 0.64 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.59 1uls h LYS 196 N 0.99 -0.30 -0.32 1.92 1.63 -0.57 -2.05 116.57 117.88 1uls h LYS 196 Ca 0.42 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.23 1uls h LYS 196 Cb 0.33 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1uls h LYS 196 CO -0.18 -0.20 0.13 0.00 -3.45 0.00 0.00 179.45 175.75 1uls h ALA 197 N 0.48 0.41 -0.66 5.00 0.00 -0.79 -2.59 119.26 121.12 1uls h ALA 197 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1uls h ALA 197 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1uls h ALA 197 CO 0.03 0.00 0.38 0.82 0.00 0.00 0.00 179.25 180.48 1uls h ILE 198 N 0.36 1.20 -0.73 0.00 2.04 -1.37 -1.98 117.51 117.04 1uls h ILE 198 Ca 0.11 -0.48 0.12 0.00 1.00 0.00 0.00 64.86 65.60 1uls h ILE 198 Cb 0.17 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 1uls h ILE 198 CO -0.01 0.21 0.48 0.00 0.00 0.00 0.00 178.15 178.84 1uls h ALA 199 N 1.19 1.97 -0.04 1.87 0.00 -1.20 0.30 119.26 123.34 1uls h ALA 199 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uls h ALA 199 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uls h ALA 199 CO -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1uls n ALA 200 N -2.49 2.59 -2.75 0.00 0.00 -0.80 -4.80 120.51 112.25 1uls n ALA 200 Ca 0.13 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1uls n ALA 200 Cb 0.42 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1uls n ALA 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uls s THR 201 N -1.96 4.77 0.29 0.00 2.01 0.10 -4.40 115.64 116.45 1uls s THR 201 Ca 0.38 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1uls s THR 201 Cb 0.20 -3.57 0.29 0.00 0.01 0.00 0.00 72.50 69.43 1uls s THR 201 CO 0.32 -0.13 1.76 -0.65 -0.69 0.00 0.00 174.62 175.23 1uls h PRO 202 N 8.44 0.66 0.00 4.92 0.11 -1.77 0.52 132.00 144.88 1uls h PRO 202 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1uls h PRO 202 Cb 1.13 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1uls h PRO 202 CO 0.66 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 180.16 1uls n LEU 203 N -4.83 0.00 -3.68 2.35 4.77 -1.07 -4.92 117.00 109.62 1uls n LEU 203 Ca 0.22 0.40 -0.24 0.00 -0.03 0.00 0.00 56.01 56.37 1uls n LEU 203 Cb 0.57 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1uls n LEU 203 CO 0.20 -0.14 0.11 0.61 -1.33 0.00 0.00 177.39 176.83 1uls n GLY 204 N 0.41 -0.43 3.73 -0.72 0.00 0.18 -4.99 105.19 103.38 1uls n GLY 204 Ca 0.07 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 1uls n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uls s ARG 205 N -6.12 1.08 0.54 1.61 1.70 -1.26 -5.03 118.95 111.47 1uls s ARG 205 Ca 0.35 -0.60 -0.08 0.00 -0.47 0.00 0.00 55.73 54.93 1uls s ARG 205 Cb -0.16 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1uls s ARG 205 CO 0.78 -0.50 0.90 0.00 -1.08 0.00 0.00 175.30 175.40 1uls s ALA 206 N -3.17 3.26 0.57 7.88 0.00 -1.26 -4.85 121.76 124.19 1uls s ALA 206 Ca 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1uls s ALA 206 Cb -0.01 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.32 1uls s ALA 206 CO 0.01 -0.50 0.84 0.20 0.00 0.00 0.00 175.76 176.32 1uls s GLY 207 N -4.11 1.67 0.01 0.00 0.00 0.18 -4.88 107.32 100.20 1uls s GLY 207 Ca 0.51 -0.98 0.05 0.00 0.00 0.00 0.00 44.72 44.31 1uls s GLY 207 CO 0.49 -0.69 -0.14 0.54 0.00 0.00 0.00 173.10 173.29 1uls s LYS 208 N -4.89 2.28 0.33 2.90 1.02 -1.26 -0.47 119.74 119.64 1uls s LYS 208 Ca 0.55 -0.86 0.10 0.00 0.02 0.00 0.00 55.97 55.78 1uls s LYS 208 Cb -0.10 -2.30 0.86 0.00 -0.52 0.00 0.00 37.83 35.77 1uls s LYS 208 CO 0.42 0.57 1.77 -1.00 -0.92 0.00 0.00 175.35 176.19 1uls h PRO 209 N 4.69 0.61 -0.89 -1.68 0.13 -1.91 0.78 132.00 133.74 1uls h PRO 209 Ca -0.47 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1uls h PRO 209 Cb 1.16 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 1uls h PRO 209 CO 0.50 0.41 0.57 1.25 -0.23 0.00 0.00 178.00 180.50 1uls h LEU 210 N 0.63 0.81 -1.19 1.56 6.46 -1.91 -0.63 115.31 121.04 1uls h LEU 210 Ca 0.59 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 58.33 1uls h LEU 210 Cb 1.10 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1uls h LEU 210 CO -0.37 0.48 0.10 -0.33 -0.62 0.00 0.00 178.44 177.70 1uls h GLU 211 N 0.90 0.66 -0.03 1.25 5.08 -1.25 -0.66 114.58 120.52 1uls h GLU 211 Ca 0.41 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.47 1uls h GLU 211 Cb 0.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1uls h GLU 211 CO -0.17 0.61 -0.76 0.28 -1.00 0.00 0.00 179.01 177.97 1uls h VAL 212 N 0.65 1.43 -0.72 3.13 2.07 -1.16 -3.06 116.25 118.58 1uls h VAL 212 Ca 0.15 -2.32 -0.06 0.00 0.82 0.00 0.00 66.70 65.29 1uls h VAL 212 Cb 0.25 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1uls h VAL 212 CO -0.00 0.68 0.20 0.00 0.02 0.00 0.00 177.57 178.47 1uls h ALA 213 N 1.03 0.95 -0.20 1.67 0.00 -0.10 -2.04 119.26 120.57 1uls h ALA 213 Ca -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1uls h ALA 213 Cb 1.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1uls h ALA 213 CO 0.12 0.66 -0.20 1.88 0.00 0.00 0.00 179.25 181.70 1uls h TYR 214 N 1.09 0.38 -0.30 0.00 -1.99 -1.14 0.12 116.97 115.13 1uls h TYR 214 Ca 0.23 -0.06 -0.12 0.00 2.00 0.00 0.00 58.73 60.78 1uls h TYR 214 Cb 0.34 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 1uls h TYR 214 CO 0.03 0.54 -0.31 0.00 -0.00 0.00 0.00 178.16 178.42 1uls h ALA 215 N 1.47 0.90 -0.53 3.88 0.00 -1.37 -1.60 119.26 122.01 1uls h ALA 215 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1uls h ALA 215 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1uls h ALA 215 CO 0.04 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.81 1uls h ALA 216 N 1.11 0.73 0.08 0.00 0.00 -0.59 -2.54 119.26 118.06 1uls h ALA 216 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uls h ALA 216 Cb 0.80 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1uls h ALA 216 CO 0.07 0.64 -0.08 1.25 0.00 0.00 0.00 179.25 181.13 1uls h LEU 217 N 0.89 -0.20 0.15 0.00 6.46 -0.39 -1.71 115.31 120.51 1uls h LEU 217 Ca 0.14 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1uls h LEU 217 Cb 0.67 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.62 1uls h LEU 217 CO 0.05 -0.12 -0.48 0.15 -0.62 0.00 0.00 178.44 177.41 1uls h PHE 218 N -0.18 -1.38 -0.15 1.25 3.57 -1.20 0.67 116.94 119.52 1uls h PHE 218 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1uls h PHE 218 Cb 0.17 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1uls h PHE 218 CO -0.10 -0.58 0.12 -0.07 -2.23 0.00 0.00 178.31 175.45 1uls h LEU 219 N -0.74 0.00 0.00 0.59 3.38 -1.38 -2.76 115.31 114.41 1uls h LEU 219 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1uls h LEU 219 Cb 0.74 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1uls h LEU 219 CO -0.25 0.00 -1.50 -0.11 0.09 0.00 0.00 178.44 176.67 1uls n LEU 220 N -4.34 0.79 -4.80 1.67 0.00 -0.65 -4.80 117.00 104.87 1uls n LEU 220 Ca 0.01 0.35 -0.29 0.00 0.00 0.00 0.00 56.01 56.07 1uls n LEU 220 Cb 0.24 0.10 0.12 0.00 0.00 0.00 0.00 43.42 43.88 1uls n LEU 220 CO 0.33 0.17 0.72 -0.94 0.00 0.00 0.00 177.39 177.67 1uls s SER 221 N -5.73 3.83 0.00 1.96 1.04 0.18 -4.74 113.70 110.24 1uls s SER 221 Ca -0.04 1.04 0.15 0.00 0.48 0.00 0.00 55.95 57.58 1uls s SER 221 Cb 0.09 -1.65 0.75 0.00 0.10 0.00 0.00 66.02 65.31 1uls s SER 221 CO 0.82 -2.35 1.42 0.47 0.98 0.00 0.00 173.24 174.57 1uls n ASP 222 N -3.65 0.00 0.25 7.02 8.00 -1.26 -2.99 116.55 123.92 1uls n ASP 222 Ca 0.07 0.09 0.16 0.00 0.71 0.00 0.00 54.79 55.81 1uls n ASP 222 Cb 0.59 -0.29 0.58 0.00 -0.02 0.00 0.00 41.12 41.97 1uls n ASP 222 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1uls h GLU 223 N 0.00 0.00 -0.48 -1.24 5.08 -1.91 -2.76 114.58 113.27 1uls h GLU 223 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1uls h GLU 223 Cb 0.14 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.24 1uls h GLU 223 CO 0.00 0.00 0.02 -1.13 -1.00 0.00 0.00 179.01 176.90 1uls n SER 224 N -2.98 2.87 -0.28 1.42 3.41 -1.16 -4.77 113.62 112.12 1uls n SER 224 Ca 0.01 -3.77 0.31 0.00 -0.26 0.00 0.00 58.87 55.16 1uls n SER 224 Cb 0.34 -0.67 0.70 0.00 -0.26 0.00 0.00 64.21 64.32 1uls n SER 224 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1uls h SER 225 N 1.07 0.09 -0.40 4.04 4.64 -1.68 -0.68 113.55 120.63 1uls h SER 225 Ca 0.30 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1uls h SER 225 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1uls h SER 225 CO 0.54 0.02 0.00 0.33 -0.87 0.00 0.00 176.83 176.85 1uls n PHE 226 N -4.29 1.22 -4.01 4.77 7.35 -1.26 -4.92 117.46 116.32 1uls n PHE 226 Ca 0.23 -0.76 -0.34 0.00 -0.76 0.00 0.00 57.45 55.83 1uls n PHE 226 Cb 1.09 -0.31 -0.15 0.00 0.35 0.00 0.00 39.48 40.46 1uls n PHE 226 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1uls s ILE 227 N -2.43 2.69 -0.02 -2.13 1.01 -0.26 -5.10 121.20 114.96 1uls s ILE 227 Ca 0.44 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1uls s ILE 227 Cb 0.33 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1uls s ILE 227 CO 0.14 0.40 0.28 0.28 0.00 0.00 0.00 174.94 176.04 1uls s THR 228 N 1.36 0.06 -0.80 2.92 -1.32 -1.26 -4.78 115.64 111.82 1uls s THR 228 Ca 0.04 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1uls s THR 228 Cb -0.14 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.29 1uls s THR 228 CO -0.08 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 1uls n GLY 229 N 1.47 0.75 3.92 6.08 0.00 0.11 -4.97 105.19 112.55 1uls n GLY 229 Ca -0.21 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1uls n GLY 229 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uls s GLN 230 N -3.11 3.27 -0.28 1.61 -1.52 -1.26 -4.77 119.66 113.60 1uls s GLN 230 Ca 0.00 -0.82 -0.03 0.00 -1.95 0.00 0.00 55.36 52.56 1uls s GLN 230 Cb 0.00 -2.80 0.04 0.00 -0.22 0.00 0.00 33.01 30.03 1uls s GLN 230 CO 0.00 0.44 -0.01 0.08 -0.25 0.00 0.00 175.29 175.55 1uls s VAL 231 N -1.98 3.10 -0.38 1.09 1.01 -1.26 -1.18 120.40 120.80 1uls s VAL 231 Ca 0.34 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1uls s VAL 231 Cb -0.09 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1uls s VAL 231 CO 0.28 0.03 0.24 -0.22 0.00 0.00 0.00 175.10 175.43 1uls s LEU 232 N 1.32 4.80 -0.07 3.92 2.96 0.00 -4.96 118.68 126.66 1uls s LEU 232 Ca -0.02 -0.83 -0.27 0.00 -0.22 0.00 0.00 54.13 52.78 1uls s LEU 232 Cb -0.18 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1uls s LEU 232 CO -0.02 -0.37 0.88 -0.36 -1.32 0.00 0.00 176.35 175.16 1uls s PHE 233 N 1.63 3.57 -0.61 5.38 0.40 -1.26 -0.88 117.98 126.22 1uls s PHE 233 Ca 0.04 1.48 0.06 0.00 -0.60 0.00 0.00 56.93 57.92 1uls s PHE 233 Cb -0.19 -3.03 0.25 0.00 0.51 0.00 0.00 43.02 40.57 1uls s PHE 233 CO 0.09 -0.06 0.73 0.28 0.70 0.00 0.00 175.22 176.96 1uls n VAL 234 N 4.12 2.05 -1.80 -0.44 0.31 -0.68 -4.82 118.33 117.07 1uls n VAL 234 Ca 0.04 -5.10 0.03 0.00 -0.01 0.00 0.00 64.34 59.30 1uls n VAL 234 Cb 0.50 -2.06 0.05 0.00 -0.91 0.00 0.00 33.84 31.43 1uls n VAL 234 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1uls n ASP 235 N 0.87 0.81 -1.41 4.52 3.85 -1.26 -0.58 116.55 123.34 1uls n ASP 235 Ca 0.29 -2.38 -0.18 0.00 -0.71 0.00 0.00 54.79 51.81 1uls n ASP 235 Cb 0.42 -0.29 -0.08 0.00 -1.35 0.00 0.00 41.12 39.83 1uls n ASP 235 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1uls n GLY 236 N -0.37 1.79 1.47 6.12 0.00 -1.26 -1.93 105.19 111.00 1uls n GLY 236 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1uls n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uls n GLY 237 N -0.63 0.61 0.32 -0.02 0.00 -1.26 -2.60 105.19 101.61 1uls n GLY 237 Ca -0.18 -0.17 0.19 0.00 0.00 0.00 0.00 46.02 45.86 1uls n GLY 237 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uls h ARG 238 N 1.41 0.00 -0.01 1.61 1.12 -1.59 -1.93 114.38 114.99 1uls h ARG 238 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1uls h ARG 238 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1uls h ARG 238 CO 0.00 0.01 -0.48 -2.37 -3.11 0.00 0.00 179.97 174.02 1uls n THR 239 N -3.33 0.00 -1.95 0.20 5.66 -1.26 -4.90 114.28 108.70 1uls n THR 239 Ca -0.03 -0.18 -0.42 0.00 -3.05 0.00 0.00 64.05 60.38 1uls n THR 239 Cb 0.11 0.92 -0.02 0.00 -1.55 0.00 0.00 70.33 69.79 1uls n THR 239 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1uls s ILE 240 N -2.58 2.53 0.00 1.09 1.01 -0.73 -2.31 121.20 120.21 1uls s ILE 240 Ca 0.18 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1uls s ILE 240 Cb 0.18 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1uls s ILE 240 CO 0.60 0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1uls n GLY 241 N 2.57 2.60 3.85 6.18 0.00 -1.26 -5.07 105.19 114.06 1uls n GLY 241 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1uls n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls s ALA 242 N -2.60 3.57 0.07 4.61 0.00 -0.98 -5.03 121.76 121.40 1uls s ALA 242 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.51 1uls s ALA 242 Cb 0.00 -2.52 -0.08 0.00 0.00 0.00 0.00 23.12 20.52 1uls s ALA 242 CO 0.00 0.46 1.53 0.00 0.00 0.00 0.00 175.76 177.75 1uls s ALA 243 N -1.51 3.65 0.84 0.00 0.00 -1.26 -4.98 121.76 118.50 1uls s ALA 243 Ca 0.39 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 1uls s ALA 243 Cb -0.15 -3.64 0.09 0.00 0.00 0.00 0.00 23.12 19.43 1uls s ALA 243 CO 0.19 -0.95 1.09 -1.25 0.00 0.00 0.00 175.76 174.85 1uls s PRO 244 N 2.20 1.74 0.00 0.00 0.04 -1.26 -5.06 135.00 132.66 1uls s PRO 244 Ca 0.69 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1uls s PRO 244 Cb -0.37 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1uls s PRO 244 CO 0.30 -1.92 0.25 0.00 0.04 0.00 0.00 177.00 175.67