#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 1.53 -4.58 2.89 4.77 -0.44 -4.60 117.00 116.57 1uls n LEU 3 Ca 0.00 -2.57 -0.48 0.00 -0.03 0.00 0.00 56.01 52.93 1uls n LEU 3 Cb 0.00 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1uls n LEU 3 CO 0.00 0.77 1.68 1.17 -1.33 0.00 0.00 177.39 179.68 1uls n LYS 4 N -0.31 1.75 -0.46 3.23 4.81 -0.95 -1.71 118.16 124.53 1uls n LYS 4 Ca 0.10 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1uls n LYS 4 Cb 0.88 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 33.20 1uls n LYS 4 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1uls n ASP 5 N 8.96 0.00 -4.74 3.14 10.43 0.15 -4.95 116.55 129.54 1uls n ASP 5 Ca 0.31 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.25 1uls n ASP 5 Cb 0.31 -1.20 -0.03 0.00 1.84 0.00 0.00 41.12 42.05 1uls n ASP 5 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1uls s LYS 6 N -0.36 4.35 -0.33 -1.24 1.02 -0.69 -4.61 119.74 117.87 1uls s LYS 6 Ca 0.00 2.15 -0.21 0.00 0.02 0.00 0.00 55.97 57.93 1uls s LYS 6 Cb 0.00 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1uls s LYS 6 CO 0.00 -0.30 0.68 0.00 -0.92 0.00 0.00 175.35 174.81 1uls s ALA 7 N -0.06 3.49 -0.01 5.17 0.00 -1.26 -1.31 121.76 127.78 1uls s ALA 7 Ca 0.57 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1uls s ALA 7 Cb -0.39 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1uls s ALA 7 CO 0.41 -1.26 -0.16 0.08 0.00 0.00 0.00 175.76 174.83 1uls s VAL 8 N 2.77 1.27 -0.06 0.00 1.01 -0.80 -0.05 120.40 124.54 1uls s VAL 8 Ca 0.27 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1uls s VAL 8 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1uls s VAL 8 CO 0.14 0.36 -0.17 -0.22 0.00 0.00 0.00 175.10 175.20 1uls s LEU 9 N -0.39 2.54 -0.06 3.92 0.20 -0.90 -1.63 118.68 122.36 1uls s LEU 9 Ca 0.06 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.59 1uls s LEU 9 Cb -0.06 -1.51 0.02 0.00 -0.43 0.00 0.00 46.19 44.20 1uls s LEU 9 CO -0.01 0.29 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.61 1uls s ILE 10 N -0.39 0.95 0.29 6.68 1.01 -0.67 -1.47 121.20 127.61 1uls s ILE 10 Ca 0.04 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1uls s ILE 10 Cb -0.12 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1uls s ILE 10 CO 0.02 0.32 0.45 0.42 0.00 0.00 0.00 174.94 176.15 1uls s THR 11 N 0.77 5.19 -1.80 2.92 -4.23 -0.79 -0.50 115.64 117.20 1uls s THR 11 Ca -0.13 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1uls s THR 11 Cb -0.15 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.83 1uls s THR 11 CO 0.02 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1uls n GLY 12 N -1.56 -0.13 0.15 3.99 0.00 0.35 -3.58 105.19 104.43 1uls n GLY 12 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.86 1.00 0.00 4.61 0.00 -1.47 -3.07 119.26 121.19 1uls h ALA 13 Ca -0.47 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1uls h ALA 13 Cb 1.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1uls h ALA 13 CO 0.57 0.00 -0.97 0.00 0.00 0.00 0.00 179.25 178.86 1uls h ALA 14 N 2.17 0.41 -1.94 0.00 0.00 -1.88 -2.69 119.26 115.34 1uls h ALA 14 Ca 0.00 -0.87 -0.45 0.00 0.00 0.00 0.00 54.91 53.59 1uls h ALA 14 Cb 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 17.79 17.99 1uls h ALA 14 CO 0.00 1.18 -0.06 -1.01 0.00 0.00 0.00 179.25 179.36 1uls s HIS 15 N -2.74 3.02 0.00 0.00 3.76 -1.16 -4.67 115.29 113.50 1uls s HIS 15 Ca 0.01 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1uls s HIS 15 Cb 0.10 -2.56 0.00 0.00 1.11 0.00 0.00 32.58 31.23 1uls s HIS 15 CO 0.81 -0.64 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 1uls n GLY 16 N -2.22 0.00 0.28 -2.22 0.00 -1.26 0.66 105.19 100.43 1uls n GLY 16 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 0.84 -0.51 -0.61 2.04 -1.89 0.31 117.51 117.69 1uls h ILE 17 Ca 0.00 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1uls h ILE 17 Cb 0.00 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1uls h ILE 17 CO 0.00 0.12 0.22 1.23 0.00 0.00 0.00 178.15 179.71 1uls h GLY 18 N 0.64 0.81 0.98 5.37 0.00 -1.47 -0.88 103.07 108.51 1uls h GLY 18 Ca 0.37 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1uls h GLY 18 CO -0.28 0.40 0.20 -0.09 0.00 0.00 0.00 176.54 176.78 1uls h ARG 19 N 0.68 0.80 0.00 4.80 9.65 0.10 -0.01 114.38 130.41 1uls h ARG 19 Ca 0.17 -0.15 -0.08 0.00 -1.10 0.00 0.00 59.98 58.82 1uls h ARG 19 Cb 0.17 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1uls h ARG 19 CO -0.02 0.71 -0.36 0.00 2.80 0.00 0.00 179.97 183.10 1uls h ALA 20 N 1.05 1.39 -0.20 2.80 0.00 -0.81 -2.53 119.26 120.96 1uls h ALA 20 Ca 0.18 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1uls h ALA 20 Cb 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1uls h ALA 20 CO -0.01 0.45 -0.61 1.15 0.00 0.00 0.00 179.25 180.23 1uls h THR 21 N 0.00 1.31 0.55 0.00 2.02 -0.55 -2.11 112.91 114.14 1uls h THR 21 Ca -0.00 -1.85 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 1uls h THR 21 Cb 0.64 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1uls h THR 21 CO 0.05 0.58 -0.29 -0.07 0.37 0.00 0.00 175.52 176.16 1uls h LEU 22 N 0.50 -0.70 -0.21 2.58 3.38 -0.62 -0.90 115.31 119.35 1uls h LEU 22 Ca -0.01 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1uls h LEU 22 Cb 1.19 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 1uls h LEU 22 CO 0.12 -0.48 -0.26 -0.33 0.09 0.00 0.00 178.44 177.58 1uls h GLU 23 N -0.78 -0.28 -0.08 1.13 5.08 -1.48 0.24 114.58 118.42 1uls h GLU 23 Ca -0.07 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1uls h GLU 23 Cb 0.61 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1uls h GLU 23 CO 0.11 -0.19 -0.19 1.25 -1.00 0.00 0.00 179.01 178.99 1uls h LEU 24 N -0.29 -0.56 -1.16 1.33 6.46 -1.30 -1.45 115.31 118.34 1uls h LEU 24 Ca 0.13 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 58.00 1uls h LEU 24 Cb 0.48 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.62 1uls h LEU 24 CO -0.38 -0.24 0.57 -0.26 -0.62 0.00 0.00 178.44 177.51 1uls h PHE 25 N -0.26 1.06 -0.54 1.25 -1.00 -0.60 -1.06 116.94 115.78 1uls h PHE 25 Ca 0.08 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1uls h PHE 25 Cb 0.38 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 1uls h PHE 25 CO -0.27 0.64 0.35 0.00 -1.61 0.00 0.00 178.31 177.42 1uls h ALA 26 N 1.48 0.69 0.00 2.45 0.00 0.15 -0.63 119.26 123.40 1uls h ALA 26 Ca 0.33 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1uls h ALA 26 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1uls h ALA 26 CO -0.09 0.15 -0.23 0.87 0.00 0.00 0.00 179.25 179.95 1uls h LYS 27 N 0.74 0.00 -0.31 0.00 1.57 -0.49 -1.96 116.57 116.12 1uls h LYS 27 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1uls h LYS 27 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1uls h LYS 27 CO -0.04 0.23 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 1uls n GLU 28 N -3.78 1.44 -1.08 3.15 -0.58 -0.28 -4.90 120.64 114.61 1uls n GLU 28 Ca -0.01 -0.56 -0.03 0.00 -0.42 0.00 0.00 57.16 56.14 1uls n GLU 28 Cb 0.33 -1.23 -0.01 0.00 -0.57 0.00 0.00 31.44 29.96 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 0.61 0.58 3.84 0.62 0.00 -0.74 -1.33 105.19 108.78 1uls n GLY 29 Ca 0.05 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.10 3.15 -0.46 4.61 0.00 -0.95 -0.67 121.76 125.34 1uls s ALA 30 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1uls s ALA 30 Cb 0.00 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.17 1uls s ALA 30 CO 0.00 0.10 0.42 1.03 0.00 0.00 0.00 175.76 177.31 1uls s ARG 31 N -3.37 3.02 0.14 0.00 0.52 -0.43 -4.73 118.95 114.11 1uls s ARG 31 Ca 0.58 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 1uls s ARG 31 Cb -0.10 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.27 1uls s ARG 31 CO 0.19 -0.98 0.24 -0.51 0.02 0.00 0.00 175.30 174.27 1uls s LEU 32 N 1.89 4.24 -0.15 2.53 1.43 -1.26 -1.91 118.68 125.46 1uls s LEU 32 Ca 0.07 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1uls s LEU 32 Cb -0.21 -2.82 0.03 0.00 0.03 0.00 0.00 46.19 43.22 1uls s LEU 32 CO 0.09 0.07 -0.08 -0.69 0.23 0.00 0.00 176.35 175.97 1uls s VAL 33 N -1.70 1.21 -0.20 -1.59 1.01 -0.64 -1.22 120.40 117.26 1uls s VAL 33 Ca 0.34 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1uls s VAL 33 Cb -0.11 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1uls s VAL 33 CO 0.27 0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.88 1uls s ALA 34 N 1.61 3.62 -0.03 5.51 0.00 0.09 -1.66 121.76 130.91 1uls s ALA 34 Ca 0.03 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.40 1uls s ALA 34 Cb -0.14 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1uls s ALA 34 CO -0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 175.76 175.44 1uls s ASP 36 N -0.34 -0.11 0.11 0.00 -1.08 -1.23 -0.49 116.67 113.53 1uls s ASP 36 Ca 0.04 -0.42 -0.05 0.00 -0.52 0.00 0.00 52.55 51.60 1uls s ASP 36 Cb -0.09 0.43 -0.15 0.00 -1.46 0.00 0.00 42.92 41.64 1uls s ASP 36 CO 0.00 -0.81 1.25 -0.29 0.52 0.00 0.00 175.17 175.84 1uls h ILE 37 N 2.00 1.42 -3.73 4.11 6.09 -1.95 -3.40 117.51 122.05 1uls h ILE 37 Ca -0.26 -2.62 -0.65 0.00 -1.37 0.00 0.00 64.86 59.97 1uls h ILE 37 Cb 1.22 2.58 -0.21 0.00 0.47 0.00 0.00 36.82 40.89 1uls h ILE 37 CO 0.28 0.78 -0.59 -1.61 -3.07 0.00 0.00 178.15 173.94 1uls s GLU 38 N -3.08 3.75 0.23 2.19 2.02 -1.26 -4.94 118.70 117.60 1uls s GLU 38 Ca -0.05 -0.43 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 1uls s GLU 38 Cb 0.08 -3.45 0.21 0.00 0.10 0.00 0.00 34.13 31.07 1uls s GLU 38 CO 0.87 -0.19 1.89 1.49 0.02 0.00 0.00 175.26 179.34 1uls h GLU 39 N 8.29 1.08 0.00 1.61 4.81 -1.99 -2.48 114.58 125.89 1uls h GLU 39 Ca -0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1uls h GLU 39 Cb 1.18 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1uls h GLU 39 CO 0.57 0.71 0.00 0.41 -0.73 0.00 0.00 179.01 179.97 1uls n GLY 40 N -1.33 -2.82 0.30 1.92 0.00 -1.26 -0.98 105.19 101.02 1uls n GLY 40 Ca 0.09 0.30 0.20 0.00 0.00 0.00 0.00 46.02 46.61 1uls n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uls h PRO 41 N 0.00 0.00 0.21 1.61 0.13 -1.99 -3.07 132.00 128.89 1uls h PRO 41 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1uls h PRO 41 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uls h PRO 41 CO 0.00 0.00 -0.10 1.25 -0.23 0.00 0.00 178.00 178.92 1uls h LEU 42 N 0.00 -0.24 -0.85 1.56 6.46 -0.99 -2.19 115.31 119.06 1uls h LEU 42 Ca 0.00 -0.29 0.12 0.00 -0.12 0.00 0.00 57.88 57.60 1uls h LEU 42 Cb 0.25 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.16 1uls h LEU 42 CO 0.00 0.25 0.47 0.03 -0.62 0.00 0.00 178.44 178.56 1uls h ARG 43 N -0.83 0.70 -0.08 1.25 3.08 -0.97 0.14 114.38 117.66 1uls h ARG 43 Ca -0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1uls h ARG 43 Cb 0.51 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1uls h ARG 43 CO 0.05 0.46 0.01 1.49 -1.07 0.00 0.00 179.97 180.91 1uls h GLU 44 N 0.72 0.14 -0.80 0.04 4.81 -1.59 0.18 114.58 118.08 1uls h GLU 44 Ca 0.44 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.67 1uls h GLU 44 Cb 0.53 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1uls h GLU 44 CO -0.31 0.38 0.53 0.00 -0.73 0.00 0.00 179.01 178.88 1uls h ALA 45 N 0.76 1.55 -0.12 2.92 0.00 -0.68 -1.97 119.26 121.71 1uls h ALA 45 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1uls h ALA 45 Cb 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uls h ALA 45 CO 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 179.25 179.33 1uls h ALA 46 N 1.54 0.20 -0.73 0.00 0.00 -0.52 -3.30 119.26 116.45 1uls h ALA 46 Ca 0.33 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1uls h ALA 46 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1uls h ALA 46 CO -0.10 0.21 0.26 0.93 0.00 0.00 0.00 179.25 180.55 1uls h GLU 47 N -0.01 1.10 0.00 0.00 5.08 -0.70 0.12 114.58 120.18 1uls h GLU 47 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1uls h GLU 47 Cb 0.87 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1uls h GLU 47 CO 0.06 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.98 1uls h ALA 48 N 1.22 1.00 0.00 3.43 0.00 -1.44 -2.92 119.26 120.55 1uls h ALA 48 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1uls h ALA 48 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uls h ALA 48 CO -0.02 0.00 -0.48 0.28 0.00 0.00 0.00 179.25 179.04 1uls n VAL 49 N -2.43 0.00 -0.47 0.00 0.31 -0.93 -5.01 118.33 109.81 1uls n VAL 49 Ca -0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1uls n VAL 49 Cb 0.12 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.83 1uls n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uls n GLY 50 N 1.59 0.74 3.90 2.92 0.00 0.20 -4.94 105.19 109.60 1uls n GLY 50 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 3.36 -0.30 4.61 0.00 0.16 -4.80 121.76 122.78 1uls s ALA 51 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1uls s ALA 51 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 1uls s ALA 51 CO 0.00 -0.43 0.37 -1.58 0.00 0.00 0.00 175.76 174.11 1uls s HIS 52 N -2.82 3.23 -0.04 0.00 2.46 -0.36 -4.34 115.29 113.42 1uls s HIS 52 Ca 0.49 0.25 -0.30 0.00 0.47 0.00 0.00 55.06 55.97 1uls s HIS 52 Cb -0.10 -2.61 -0.03 0.00 -0.13 0.00 0.00 32.58 29.70 1uls s HIS 52 CO 0.46 -0.31 1.08 -1.25 -2.47 0.00 0.00 174.74 172.25 1uls s PRO 53 N 2.06 4.44 -0.14 2.88 0.04 -1.26 -0.73 135.00 142.29 1uls s PRO 53 Ca 0.14 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 1uls s PRO 53 Cb -0.16 -3.50 0.05 0.00 0.04 0.00 0.00 34.50 30.93 1uls s PRO 53 CO 0.11 -0.28 0.02 0.08 0.04 0.00 0.00 177.00 176.97 1uls s VAL 54 N 1.69 0.45 0.89 -0.36 1.01 0.12 -4.94 120.40 119.26 1uls s VAL 54 Ca 0.53 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1uls s VAL 54 Cb -0.22 -0.80 0.13 0.00 0.00 0.00 0.00 36.38 35.48 1uls s VAL 54 CO 0.23 0.00 1.09 -0.69 0.00 0.00 0.00 175.10 175.74 1uls s VAL 55 N 1.91 2.68 -0.41 2.92 1.01 -1.26 -3.56 120.40 123.69 1uls s VAL 55 Ca 0.02 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1uls s VAL 55 Cb -0.15 -2.66 0.18 0.00 0.00 0.00 0.00 36.38 33.75 1uls s VAL 55 CO -0.07 -0.29 0.61 -0.62 0.00 0.00 0.00 175.10 174.73 1uls s ASP 57 N -3.33 -1.30 0.38 3.32 -1.08 -1.26 -4.79 116.67 108.61 1uls s ASP 57 Ca 0.64 -0.85 0.14 0.00 -0.52 0.00 0.00 52.55 51.95 1uls s ASP 57 Cb -0.18 1.84 0.75 0.00 -1.46 0.00 0.00 42.92 43.87 1uls s ASP 57 CO 0.57 -0.18 1.32 -0.37 0.52 0.00 0.00 175.17 177.03 1uls h VAL 58 N 5.01 0.00 0.00 1.11 -1.51 -1.94 0.60 116.25 119.51 1uls h VAL 58 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1uls h VAL 58 Cb 1.17 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1uls h VAL 58 CO 0.11 0.00 -0.28 0.00 -1.23 0.00 0.00 177.57 176.17 1uls n ALA 59 N -1.58 2.79 -3.15 5.19 0.00 -1.26 -4.33 120.51 118.17 1uls n ALA 59 Ca -0.01 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1uls n ALA 59 Cb 0.38 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.59 5.05 0.27 0.00 3.68 0.21 -4.96 116.67 117.33 1uls s ASP 60 Ca 0.11 -0.47 -0.01 0.00 2.13 0.00 0.00 52.55 54.31 1uls s ASP 60 Cb 0.16 -1.89 0.51 0.00 -1.45 0.00 0.00 42.92 40.25 1uls s ASP 60 CO 0.63 -0.11 1.80 -0.65 0.13 0.00 0.00 175.17 176.97 1uls h PRO 61 N 8.23 0.77 -0.12 4.34 0.11 -1.85 -1.33 132.00 142.15 1uls h PRO 61 Ca -0.35 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.56 1uls h PRO 61 Cb 1.15 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1uls h PRO 61 CO 0.60 0.51 -0.57 0.00 -0.21 0.00 0.00 178.00 178.32 1uls h ALA 62 N 1.52 0.80 -0.28 -0.75 0.00 -1.94 -1.72 119.26 116.90 1uls h ALA 62 Ca 0.46 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1uls h ALA 62 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1uls h ALA 62 CO -0.30 0.70 -0.12 1.03 0.00 0.00 0.00 179.25 180.57 1uls h SER 63 N 0.28 0.58 -0.58 0.00 0.87 -1.65 0.84 113.55 113.88 1uls h SER 63 Ca 0.00 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 1uls h SER 63 Cb 1.08 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 1uls h SER 63 CO 0.10 0.85 0.32 0.58 -0.53 0.00 0.00 176.83 178.15 1uls h VAL 64 N 0.31 1.19 0.36 2.23 2.07 -1.24 0.16 116.25 121.32 1uls h VAL 64 Ca 0.06 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1uls h VAL 64 Cb 0.62 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1uls h VAL 64 CO 0.04 0.20 -0.17 -0.08 0.02 0.00 0.00 177.57 177.58 1uls h GLU 65 N 0.79 -0.46 -0.85 1.57 4.81 -1.12 -0.71 114.58 118.61 1uls h GLU 65 Ca 0.21 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1uls h GLU 65 Cb 0.04 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1uls h GLU 65 CO -0.03 -0.24 0.55 0.00 -0.73 0.00 0.00 179.01 178.56 1uls h ARG 66 N -0.58 1.07 -0.58 1.92 3.08 -0.74 -2.12 114.38 116.42 1uls h ARG 66 Ca -0.05 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1uls h ARG 66 Cb 0.43 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1uls h ARG 66 CO 0.08 0.71 0.31 0.78 -1.07 0.00 0.00 179.97 180.78 1uls h GLY 67 N 1.10 0.83 1.98 0.04 0.00 -0.41 -1.70 103.07 104.90 1uls h GLY 67 Ca 0.33 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 1uls h GLY 67 CO -0.10 0.14 -0.54 0.74 0.00 0.00 0.00 176.54 176.78 1uls h PHE 68 N 0.59 0.03 -0.56 5.60 -1.00 -0.73 -1.20 116.94 119.68 1uls h PHE 68 Ca 0.26 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 1uls h PHE 68 Cb 0.15 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1uls h PHE 68 CO -0.09 0.56 0.15 0.00 -1.61 0.00 0.00 178.31 177.32 1uls h ALA 69 N 1.44 0.73 -0.41 2.45 0.00 -0.79 0.10 119.26 122.78 1uls h ALA 69 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1uls h ALA 69 Cb 0.96 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1uls h ALA 69 CO 0.07 0.42 0.13 0.93 0.00 0.00 0.00 179.25 180.81 1uls h GLU 70 N 0.79 0.64 -0.19 0.00 5.08 -1.03 0.64 114.58 120.51 1uls h GLU 70 Ca 0.18 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1uls h GLU 70 Cb 0.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1uls h GLU 70 CO -0.00 0.63 0.11 0.00 -1.00 0.00 0.00 179.01 178.75 1uls h ALA 71 N 0.98 0.24 -0.17 3.43 0.00 -0.87 -0.64 119.26 122.22 1uls h ALA 71 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1uls h ALA 71 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1uls h ALA 71 CO -0.01 -0.30 -0.19 -0.07 0.00 0.00 0.00 179.25 178.68 1uls h LEU 72 N 0.24 0.28 -0.77 0.00 -0.00 -0.62 0.42 115.31 114.86 1uls h LEU 72 Ca 0.07 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.88 57.75 1uls h LEU 72 Cb -0.01 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 1uls h LEU 72 CO -0.03 0.50 -0.43 0.00 -0.00 0.00 0.00 178.44 178.48 1uls h ALA 73 N 1.53 0.95 0.12 1.53 0.00 -0.42 0.46 119.26 123.43 1uls h ALA 73 Ca 0.05 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 1uls h ALA 73 Cb 0.50 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1uls h ALA 73 CO 0.03 0.63 -0.88 1.25 0.00 0.00 0.00 179.25 180.28 1uls h HIS 74 N 0.34 0.48 0.11 0.00 -0.00 -0.48 -3.38 115.15 112.22 1uls h HIS 74 Ca 0.03 -0.35 -0.31 0.00 -0.00 0.00 0.00 60.37 59.73 1uls h HIS 74 Cb 0.89 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 1uls h HIS 74 CO 0.03 1.34 -1.63 -0.07 -0.00 0.00 0.00 177.93 177.60 1uls h LEU 75 N -0.41 0.36 0.00 0.26 3.38 -0.23 -3.48 115.31 115.18 1uls h LEU 75 Ca -0.17 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1uls h LEU 75 Cb 1.62 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1uls h LEU 75 CO 0.12 1.47 0.00 0.61 0.09 0.00 0.00 178.44 180.73 1uls n GLY 76 N 1.71 1.74 3.62 0.83 0.00 0.16 -4.94 105.19 108.31 1uls n GLY 76 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 1uls n GLY 76 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uls s ARG 77 N -0.29 0.72 -0.08 1.61 3.52 -1.26 -5.03 118.95 118.14 1uls s ARG 77 Ca 0.00 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1uls s ARG 77 Cb 0.00 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.70 1uls s ARG 77 CO 0.00 -0.32 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.63 1uls s LEU 78 N -2.65 0.90 -0.08 -0.88 1.43 -1.26 -4.77 118.68 111.37 1uls s LEU 78 Ca 0.10 -0.16 0.19 0.00 -1.03 0.00 0.00 54.13 53.23 1uls s LEU 78 Cb 0.00 -0.57 -0.29 0.00 0.03 0.00 0.00 46.19 45.36 1uls s LEU 78 CO -0.04 -0.15 0.33 0.47 0.23 0.00 0.00 176.35 177.20 1uls n ASP 79 N 4.89 0.32 -3.52 2.29 8.00 0.93 -4.89 116.55 124.57 1uls n ASP 79 Ca -0.12 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.31 1uls n ASP 79 Cb 0.50 1.64 -0.02 0.00 -0.02 0.00 0.00 41.12 43.22 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 -4.66 -0.42 -0.03 0.44 0.00 -0.99 -1.77 107.32 99.89 1uls s GLY 80 Ca -0.08 1.17 -0.03 0.00 0.00 0.00 0.00 44.72 45.78 1uls s GLY 80 CO 0.83 0.40 0.09 0.14 0.00 0.00 0.00 173.10 174.56 1uls s VAL 81 N -2.90 -0.01 -0.19 1.40 1.01 -0.90 -2.12 120.40 116.70 1uls s VAL 81 Ca 0.06 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1uls s VAL 81 Cb -0.01 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.27 1uls s VAL 81 CO -0.08 0.01 -0.11 -0.69 0.00 0.00 0.00 175.10 174.23 1uls s VAL 82 N 0.15 1.61 -0.27 2.92 1.01 -0.54 -0.69 120.40 124.59 1uls s VAL 82 Ca -0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1uls s VAL 82 Cb -0.02 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1uls s VAL 82 CO -0.00 0.22 0.18 -2.28 0.00 0.00 0.00 175.10 173.22 1uls s HIS 83 N 1.42 3.24 -0.04 5.22 2.46 -0.17 -1.88 115.29 125.54 1uls s HIS 83 Ca 0.00 0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.66 1uls s HIS 83 Cb -0.15 -2.34 -0.03 0.00 -0.13 0.00 0.00 32.58 29.93 1uls s HIS 83 CO -0.09 -0.11 -0.04 0.66 -2.47 0.00 0.00 174.74 172.70 1uls n TYR 84 N 4.84 0.00 -0.62 3.88 0.53 -1.23 -2.02 117.16 122.53 1uls n TYR 84 Ca -0.14 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.44 1uls n TYR 84 Cb 0.52 -0.15 -0.06 0.00 -1.03 0.00 0.00 39.34 38.62 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 -2.62 0.04 -3.19 -0.72 0.00 -1.26 -4.91 120.51 107.85 1uls n ALA 85 Ca -0.07 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1uls n ALA 85 Cb 0.57 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 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 2.78 -0.13 0.24 0.00 0.00 -1.26 -4.75 107.32 104.20 1uls s GLY 86 Ca 0.57 -0.18 -0.08 0.00 0.00 0.00 0.00 44.72 45.03 1uls s GLY 86 CO 0.33 -0.29 0.36 -0.26 0.00 0.00 0.00 173.10 173.23 1uls s ILE 87 N -3.85 0.00 0.06 0.90 -4.36 -1.26 -5.06 121.20 107.63 1uls s ILE 87 Ca 0.08 -1.63 -0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1uls s ILE 87 Cb 0.00 -2.34 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 1uls s ILE 87 CO -0.06 0.00 -0.04 0.42 0.24 0.00 0.00 174.94 175.50 1uls s THR 88 N -3.99 0.34 -0.46 8.37 -4.23 -1.26 -4.93 115.64 109.47 1uls s THR 88 Ca 0.29 -1.81 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 1uls s THR 88 Cb 0.02 -1.52 0.24 0.00 1.34 0.00 0.00 72.50 72.57 1uls s THR 88 CO 0.11 -0.95 0.73 0.54 -0.54 0.00 0.00 174.62 174.51 1uls n ARG 89 N 0.12 0.72 -1.57 3.99 3.00 -1.26 -5.05 116.66 116.60 1uls n ARG 89 Ca -0.14 -2.30 -0.36 0.00 -0.01 0.00 0.00 57.85 55.04 1uls n ARG 89 Cb 0.61 -1.39 0.08 0.00 0.00 0.00 0.00 32.46 31.76 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 -1.28 4.31 0.00 0.55 1.11 -1.26 -4.93 116.67 115.17 1uls s ASP 90 Ca 0.33 2.57 0.00 0.00 0.18 0.00 0.00 52.55 55.63 1uls s ASP 90 Cb 0.19 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.56 1uls s ASP 90 CO -0.19 -2.20 0.00 0.59 1.18 0.00 0.00 175.17 174.55 1uls n ASN 91 N -2.27 0.00 -4.77 0.27 3.02 0.08 -5.04 115.26 106.55 1uls n ASN 91 Ca 0.15 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.32 1uls n ASN 91 Cb 0.49 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.63 2.98 0.37 3.10 0.40 -1.26 -4.12 117.98 117.82 1uls s PHE 92 Ca 0.00 1.51 0.16 0.00 -0.60 0.00 0.00 56.93 58.00 1uls s PHE 92 Cb 0.00 -3.49 1.07 0.00 0.51 0.00 0.00 43.02 41.11 1uls s PHE 92 CO 0.00 -1.59 1.71 1.12 0.70 0.00 0.00 175.22 177.16 1uls h HIS 93 N 2.65 0.82 0.00 0.36 2.07 -2.00 0.21 115.15 119.25 1uls h HIS 93 Ca -0.49 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1uls h HIS 93 Cb 1.24 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.99 1uls h HIS 93 CO 0.54 -0.03 0.00 -2.67 -3.07 0.00 0.00 177.93 172.71 1uls n TRP 94 N -4.81 0.25 -3.76 6.12 2.14 -1.26 -4.78 117.44 111.34 1uls n TRP 94 Ca 0.29 0.10 -0.34 0.00 2.07 0.00 0.00 57.50 59.62 1uls n TRP 94 Cb 0.93 -0.66 -0.09 0.00 -0.81 0.00 0.00 31.31 30.67 1uls n TRP 94 CO 0.00 0.00 0.00 0.15 2.07 0.00 0.00 177.69 179.91 1uls s LYS 95 N -3.10 2.75 -0.04 -2.67 1.02 0.72 -5.19 119.74 113.24 1uls s LYS 95 Ca 0.06 -3.01 -0.06 0.00 0.02 0.00 0.00 55.97 52.97 1uls s LYS 95 Cb 0.09 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1uls s LYS 95 CO 0.29 -1.23 0.15 -1.25 -0.92 0.00 0.00 175.35 172.40 1uls s PRO 97 N -0.90 0.31 0.24 -1.68 0.04 -1.26 -4.89 135.00 126.86 1uls s PRO 97 Ca 0.23 -0.03 -0.07 0.00 0.04 0.00 0.00 61.00 61.16 1uls s PRO 97 Cb -0.12 0.14 0.42 0.00 0.04 0.00 0.00 34.50 34.97 1uls s PRO 97 CO -0.09 -0.06 1.65 1.25 0.04 0.00 0.00 177.00 179.79 1uls h LEU 98 N 5.21 -0.25 -0.86 -3.56 6.46 -1.99 -0.53 115.31 119.80 1uls h LEU 98 Ca -0.28 0.18 0.17 0.00 -0.12 0.00 0.00 57.88 57.83 1uls h LEU 98 Cb 1.20 0.30 -0.10 0.00 -0.73 0.00 0.00 40.66 41.32 1uls h LEU 98 CO 0.40 -0.14 0.43 1.05 -0.62 0.00 0.00 178.44 179.56 1uls h GLU 99 N 0.14 0.55 -0.16 1.25 4.11 -2.03 0.26 114.58 118.70 1uls h GLU 99 Ca 0.40 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.67 1uls h GLU 99 Cb 0.69 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1uls h GLU 99 CO -0.60 0.36 -0.42 -0.44 0.07 0.00 0.00 179.01 177.98 1uls h ASP 100 N 0.56 0.39 -0.23 3.06 5.19 -1.52 -0.74 116.42 123.14 1uls h ASP 100 Ca 0.49 -0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 56.60 1uls h ASP 100 Cb 0.76 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 1uls h ASP 100 CO -0.41 0.77 -0.33 -0.25 -3.12 0.00 0.00 179.24 175.90 1uls h TRP 101 N 0.31 0.77 0.00 4.55 2.91 -0.45 -3.09 115.95 120.95 1uls h TRP 101 Ca 0.03 -0.26 -0.12 0.00 1.13 0.00 0.00 58.89 59.67 1uls h TRP 101 Cb 0.87 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 1uls h TRP 101 CO 0.02 1.00 -0.58 0.93 -1.03 0.00 0.00 178.44 178.79 1uls h GLU 102 N 0.32 0.00 -0.18 2.65 5.08 -0.47 -3.03 114.58 118.95 1uls h GLU 102 Ca 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1uls h GLU 102 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1uls h GLU 102 CO 0.08 0.58 -0.07 1.25 -1.00 0.00 0.00 179.01 179.84 1uls h LEU 103 N 0.00 0.38 -1.09 1.33 5.85 -1.15 -1.17 115.31 119.46 1uls h LEU 103 Ca -0.01 -0.40 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 1uls h LEU 103 Cb 1.12 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1uls h LEU 103 CO 0.07 0.69 -0.36 -0.37 -0.34 0.00 0.00 178.44 178.13 1uls h VAL 104 N 0.06 1.28 -0.23 1.05 -1.51 -1.60 -0.00 116.25 115.29 1uls h VAL 104 Ca 0.04 -1.36 -0.12 0.00 -1.23 0.00 0.00 66.70 64.03 1uls h VAL 104 Cb 0.54 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1uls h VAL 104 CO 0.02 0.40 -0.34 -0.07 -1.23 0.00 0.00 177.57 176.35 1uls h LEU 105 N 0.15 0.70 0.05 4.19 3.38 -1.46 0.10 115.31 122.42 1uls h LEU 105 Ca 0.02 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1uls h LEU 105 Cb 0.71 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1uls h LEU 105 CO 0.05 1.08 -0.02 -0.09 0.09 0.00 0.00 178.44 179.55 1uls h ARG 106 N 0.35 -0.06 0.01 1.13 2.43 -0.92 0.03 114.38 117.34 1uls h ARG 106 Ca 0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1uls h ARG 106 Cb 0.93 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1uls h ARG 106 CO 0.08 0.07 -0.01 0.28 -1.51 0.00 0.00 179.97 178.88 1uls h VAL 107 N -0.18 1.44 0.20 0.20 2.07 -1.05 -0.45 116.25 118.47 1uls h VAL 107 Ca -0.01 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1uls h VAL 107 Cb 0.16 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1uls h VAL 107 CO 0.01 0.35 -0.10 0.78 0.02 0.00 0.00 177.57 178.64 1uls h ASN 108 N -0.61 -0.23 0.15 0.57 4.21 -0.85 -2.84 115.58 115.98 1uls h ASN 108 Ca -0.00 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 1uls h ASN 108 Cb 0.59 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1uls h ASN 108 CO 0.00 0.30 -0.07 0.25 -1.29 0.00 0.00 177.43 176.62 1uls h LEU 109 N -0.99 -0.17 -1.03 1.61 5.85 -1.17 -2.71 115.31 116.70 1uls h LEU 109 Ca -0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1uls h LEU 109 Cb 0.41 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1uls h LEU 109 CO 0.05 0.30 0.34 0.74 -0.34 0.00 0.00 178.44 179.53 1uls h THR 110 N -1.05 1.23 -0.75 1.05 2.02 -1.03 -1.95 112.91 112.42 1uls h THR 110 Ca -0.02 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.56 1uls h THR 110 Cb 0.16 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 1uls h THR 110 CO 0.03 0.28 0.45 1.23 0.37 0.00 0.00 175.52 177.88 1uls h GLY 111 N 1.08 1.12 2.00 2.16 0.00 -0.82 -0.64 103.07 107.98 1uls h GLY 111 Ca 0.25 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1uls h GLY 111 CO -0.03 0.22 -0.25 1.76 0.00 0.00 0.00 176.54 178.24 1uls h SER 112 N 0.83 0.00 -0.17 0.19 0.02 -1.03 -2.04 113.55 111.35 1uls h SER 112 Ca 0.33 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.11 1uls h SER 112 Cb 0.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1uls h SER 112 CO -0.17 0.25 -0.56 0.15 -1.14 0.00 0.00 176.83 175.36 1uls h PHE 113 N 0.00 0.90 -0.41 3.45 3.57 -0.56 -1.61 116.94 122.28 1uls h PHE 113 Ca -0.00 -0.37 -0.06 0.00 3.53 0.00 0.00 57.97 61.07 1uls h PHE 113 Cb 0.45 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1uls h PHE 113 CO 0.00 1.17 0.04 -0.07 -2.23 0.00 0.00 178.31 177.21 1uls h LEU 114 N 0.38 0.67 -0.16 0.59 3.38 -0.89 -0.29 115.31 118.99 1uls h LEU 114 Ca -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1uls h LEU 114 Cb 1.19 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1uls h LEU 114 CO 0.12 0.79 -0.07 0.58 0.09 0.00 0.00 178.44 179.95 1uls h VAL 115 N 0.54 1.31 -0.64 1.22 2.07 -1.41 -1.58 116.25 117.75 1uls h VAL 115 Ca 0.12 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1uls h VAL 115 Cb 0.42 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1uls h VAL 115 CO 0.01 0.33 0.20 0.00 0.02 0.00 0.00 177.57 178.13 1uls h ALA 116 N 0.68 0.84 -0.70 1.67 0.00 -1.29 -0.18 119.26 120.28 1uls h ALA 116 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1uls h ALA 116 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1uls h ALA 116 CO 0.02 0.52 0.40 -0.22 0.00 0.00 0.00 179.25 179.98 1uls h LYS 117 N 0.93 0.96 -0.42 0.00 3.64 -1.01 0.50 116.57 121.17 1uls h LYS 117 Ca 0.21 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1uls h LYS 117 Cb 0.30 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1uls h LYS 117 CO -0.01 0.71 -0.21 0.00 -2.27 0.00 0.00 179.45 177.67 1uls h ALA 118 N 1.20 0.60 -0.47 5.00 0.00 -1.01 -1.18 119.26 123.40 1uls h ALA 118 Ca 0.25 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1uls h ALA 118 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1uls h ALA 118 CO -0.04 0.57 0.21 0.00 0.00 0.00 0.00 179.25 179.98 1uls h ALA 119 N 0.83 0.61 -0.60 0.00 0.00 -0.75 -2.09 119.26 117.26 1uls h ALA 119 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1uls h ALA 119 Cb 0.77 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1uls h ALA 119 CO 0.06 0.20 0.31 1.03 0.00 0.00 0.00 179.25 180.85 1uls h SER 120 N 0.62 0.76 -0.85 0.00 0.87 -0.78 -2.65 113.55 111.52 1uls h SER 120 Ca 0.16 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1uls h SER 120 Cb 0.16 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 1uls h SER 120 CO -0.02 0.65 0.54 -0.08 -0.53 0.00 0.00 176.83 177.40 1uls h GLU 121 N 0.81 1.02 -0.34 2.24 4.22 -0.94 0.46 114.58 122.05 1uls h GLU 121 Ca 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1uls h GLU 121 Cb 0.08 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1uls h GLU 121 CO -0.03 0.68 0.00 0.00 -2.18 0.00 0.00 179.01 177.48 1uls n ALA 122 N -2.34 1.96 -0.91 2.92 0.00 -0.81 -4.98 120.51 116.35 1uls n ALA 122 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1uls n ALA 122 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.08 0.00 -1.02 0.00 0.63 0.16 -4.60 116.66 111.75 1uls n ARG 124 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1uls n ARG 124 Cb 0.09 -0.30 -0.00 0.00 0.45 0.00 0.00 32.46 32.69 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 0.63 -1.49 -0.05 -0.14 1.02 -1.26 -4.75 120.64 114.59 1uls n GLU 125 Ca 0.00 0.40 -0.11 0.00 -0.02 0.00 0.00 57.16 57.43 1uls n GLU 125 Cb 0.00 -4.53 -0.04 0.00 -0.02 0.00 0.00 31.44 26.85 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 -0.08 0.28 -3.53 3.49 4.01 -1.26 -5.10 118.16 115.97 1uls n LYS 126 Ca -0.01 0.12 -0.10 0.00 -0.51 0.00 0.00 58.31 57.81 1uls n LYS 126 Cb 0.38 -0.98 -0.02 0.00 -0.51 0.00 0.00 35.03 33.91 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 -6.13 -0.48 0.86 4.39 4.22 -1.26 -5.16 114.94 111.38 1uls s ASN 127 Ca -0.17 -0.13 -0.12 0.00 -2.14 0.00 0.00 52.86 50.30 1uls s ASN 127 Cb 0.05 0.60 0.11 0.00 1.28 0.00 0.00 41.25 43.29 1uls s ASN 127 CO 0.23 -1.01 1.10 -2.16 -2.04 0.00 0.00 177.10 173.22 1uls s PRO 128 N -3.71 1.58 0.05 3.55 0.04 -1.26 -4.55 135.00 130.70 1uls s PRO 128 Ca 0.04 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.52 1uls s PRO 128 Cb -0.02 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.75 1uls s PRO 128 CO -0.08 -1.99 1.21 0.20 0.04 0.00 0.00 177.00 176.38 1uls s GLY 129 N -3.66 -0.04 -0.04 0.56 0.00 -0.84 -4.83 107.32 98.47 1uls s GLY 129 Ca 0.62 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 45.24 1uls s GLY 129 CO 0.56 4.63 0.02 -0.45 0.00 0.00 0.00 173.10 177.86 1uls s SER 130 N -3.68 0.70 -0.17 1.64 0.15 -0.73 -0.55 113.70 111.07 1uls s SER 130 Ca 0.27 0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.90 1uls s SER 130 Cb -0.01 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1uls s SER 130 CO 0.01 -0.15 -0.08 -0.63 1.20 0.00 0.00 173.24 173.59 1uls s ILE 131 N 1.43 3.37 -0.27 6.45 1.01 0.10 -2.11 121.20 131.18 1uls s ILE 131 Ca -0.04 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1uls s ILE 131 Cb -0.13 -2.47 0.06 0.00 0.01 0.00 0.00 42.46 39.92 1uls s ILE 131 CO -0.03 0.48 -0.07 -0.69 0.00 0.00 0.00 174.94 174.64 1uls s VAL 132 N 0.74 2.48 -0.14 2.92 1.01 0.13 -0.98 120.40 126.57 1uls s VAL 132 Ca -0.03 -1.53 -0.08 0.00 0.00 0.00 0.00 61.98 60.33 1uls s VAL 132 Cb -0.15 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1uls s VAL 132 CO 0.02 -0.05 0.15 -0.76 0.00 0.00 0.00 175.10 174.46 1uls s LEU 133 N 1.16 4.33 -0.21 3.92 1.43 0.33 -1.00 118.68 128.64 1uls s LEU 133 Ca -0.07 0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 53.29 1uls s LEU 133 Cb -0.20 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1uls s LEU 133 CO -0.04 0.32 0.34 -0.89 0.23 0.00 0.00 176.35 176.32 1uls s THR 134 N -0.54 5.24 0.00 5.49 2.01 -0.86 -0.73 115.64 126.24 1uls s THR 134 Ca 0.13 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1uls s THR 134 Cb -0.12 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1uls s THR 134 CO 0.02 0.27 0.00 0.00 -0.69 0.00 0.00 174.62 174.22 1uls n ALA 135 N 4.47 0.00 -3.63 7.40 0.00 0.38 -4.89 120.51 124.24 1uls n ALA 135 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1uls n ALA 135 Cb 0.51 0.00 -0.05 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 0.02 -0.09 0.63 0.00 0.15 -1.25 -4.44 113.70 108.73 1uls s SER 136 Ca 0.00 0.12 0.33 0.00 0.70 0.00 0.00 55.95 57.09 1uls s SER 136 Cb 0.00 0.10 1.81 0.00 -1.71 0.00 0.00 66.02 66.22 1uls s SER 136 CO 0.00 -0.08 2.09 -0.09 1.20 0.00 0.00 173.24 176.37 1uls h ARG 137 N 2.33 0.00 0.00 5.44 1.12 -1.45 0.92 114.38 122.75 1uls h ARG 137 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1uls h ARG 137 Cb 1.19 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1uls h ARG 137 CO 0.22 0.00 0.00 0.28 -3.11 0.00 0.00 179.97 177.36 1uls n VAL 138 N -3.35 1.37 0.29 0.20 0.31 -1.26 -2.61 118.33 113.28 1uls n VAL 138 Ca -0.00 0.34 0.08 0.00 -0.01 0.00 0.00 64.34 64.75 1uls n VAL 138 Cb 0.31 -1.19 0.37 0.00 -0.91 0.00 0.00 33.84 32.42 1uls n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uls n TYR 139 N -1.50 0.41 0.59 3.52 0.18 0.32 -0.80 117.16 119.88 1uls n TYR 139 Ca 0.02 0.18 0.07 0.00 1.88 0.00 0.00 57.90 60.05 1uls n TYR 139 Cb 0.11 -0.79 0.19 0.00 -0.38 0.00 0.00 39.34 38.47 1uls n TYR 139 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1uls n LEU 140 N -1.90 2.37 0.00 -3.48 4.77 -1.07 -4.52 117.00 113.17 1uls n LEU 140 Ca 0.01 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1uls n LEU 140 Cb 0.13 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1uls n LEU 140 CO 0.12 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1uls n GLY 141 N 1.18 1.24 3.64 -0.72 0.00 0.02 -5.11 105.19 105.44 1uls n GLY 141 Ca 0.15 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.34 -0.76 0.16 1.61 2.47 -1.26 -4.85 114.94 111.98 1uls s ASN 142 Ca 0.00 1.32 -0.33 0.00 0.42 0.00 0.00 52.86 54.28 1uls s ASN 142 Cb 0.00 1.33 -0.16 0.00 -1.45 0.00 0.00 41.25 40.97 1uls s ASN 142 CO 0.00 -0.22 1.03 0.18 -3.72 0.00 0.00 177.10 174.37 1uls n LEU 143 N 3.41 0.89 -0.76 3.21 4.77 -1.26 -1.43 117.00 125.83 1uls n LEU 143 Ca -0.17 1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.86 1uls n LEU 143 Cb 0.57 -1.14 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1uls n LEU 143 CO 0.01 -1.66 -0.09 0.61 -1.33 0.00 0.00 177.39 174.92 1uls n GLY 144 N 1.87 1.06 2.21 -0.72 0.00 -1.26 -4.89 105.19 103.45 1uls n GLY 144 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.71 1.80 -0.30 1.61 6.02 -0.52 -0.74 117.38 123.53 1uls n GLN 145 Ca -0.10 -3.35 0.08 0.00 -0.01 0.00 0.00 57.00 53.63 1uls n GLN 145 Cb 0.45 -1.45 0.24 0.00 1.02 0.00 0.00 30.24 30.50 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 2.06 1.34 -0.27 -1.58 0.00 -1.81 0.25 119.26 119.26 1uls h ALA 146 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1uls h ALA 146 Cb 1.43 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1uls h ALA 146 CO 0.28 -0.09 -0.18 -2.95 0.00 0.00 0.00 179.25 176.30 1uls h ASN 147 N 0.63 0.63 -0.40 0.00 -1.07 -1.91 -1.72 115.58 111.73 1uls h ASN 147 Ca 0.48 -0.44 -0.10 0.00 0.07 0.00 0.00 56.30 56.32 1uls h ASN 147 Cb 0.70 -0.17 -0.01 0.00 -2.07 0.00 0.00 38.32 36.77 1uls h ASN 147 CO -0.37 0.93 -0.13 0.22 0.07 0.00 0.00 177.43 178.14 1uls h TYR 148 N 0.33 0.91 -0.50 4.14 3.20 -1.70 -1.66 116.97 121.70 1uls h TYR 148 Ca 0.05 -0.21 -0.07 0.00 3.14 0.00 0.00 58.73 61.64 1uls h TYR 148 Cb 0.72 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1uls h TYR 148 CO 0.07 0.95 0.03 0.00 -1.64 0.00 0.00 178.16 177.56 1uls h ALA 149 N 0.83 0.67 -0.52 1.82 0.00 -0.57 -3.05 119.26 118.45 1uls h ALA 149 Ca 0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1uls h ALA 149 Cb 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1uls h ALA 149 CO 0.05 0.46 -0.02 0.00 0.00 0.00 0.00 179.25 179.73 1uls h ALA 150 N 0.95 0.70 0.00 0.00 0.00 -1.27 0.75 119.26 120.38 1uls h ALA 150 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1uls h ALA 150 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1uls h ALA 150 CO 0.02 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 1uls n SER 151 N -4.28 0.27 0.00 0.00 3.41 -0.63 -1.18 113.62 111.22 1uls n SER 151 Ca 0.01 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1uls n SER 151 Cb 0.34 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.33 0.00 -0.11 7.33 0.00 0.26 -1.93 120.51 126.39 1uls n ALA 153 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1uls n ALA 153 Cb 0.07 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.60 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 0.89 1.13 0.00 0.00 -1.37 -2.56 103.07 101.16 1uls h GLY 154 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 1uls h GLY 154 CO 0.00 0.67 0.28 -2.08 0.00 0.00 0.00 176.54 175.41 1uls h VAL 155 N 0.73 1.25 -0.64 4.60 2.07 -1.65 0.35 116.25 122.95 1uls h VAL 155 Ca 0.11 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1uls h VAL 155 Cb 0.70 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1uls h VAL 155 CO 0.05 0.32 0.22 0.58 0.02 0.00 0.00 177.57 178.77 1uls h VAL 156 N 1.07 1.24 -0.20 2.57 2.07 -1.82 0.28 116.25 121.47 1uls h VAL 156 Ca 0.25 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1uls h VAL 156 Cb 0.22 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1uls h VAL 156 CO -0.02 0.31 -0.30 1.23 0.02 0.00 0.00 177.57 178.81 1uls h GLY 157 N 0.91 0.43 0.71 2.17 0.00 -1.08 -1.32 103.07 104.88 1uls h GLY 157 Ca 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1uls h GLY 157 CO -0.01 0.33 -0.06 -2.00 0.00 0.00 0.00 176.54 174.80 1uls h LEU 158 N 0.34 0.25 -0.26 3.11 5.85 -0.36 -2.31 115.31 121.94 1uls h LEU 158 Ca 0.05 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1uls h LEU 158 Cb 0.70 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1uls h LEU 158 CO 0.05 0.62 -0.12 0.74 -0.34 0.00 0.00 178.44 179.39 1uls h THR 159 N -0.12 0.62 -0.64 1.05 2.02 -0.25 0.75 112.91 116.34 1uls h THR 159 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1uls h THR 159 Cb 0.53 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1uls h THR 159 CO 0.02 0.00 0.39 0.03 0.37 0.00 0.00 175.52 176.33 1uls h ARG 160 N -0.09 0.75 -0.41 6.66 3.08 -1.22 0.95 114.38 124.10 1uls h ARG 160 Ca 0.14 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1uls h ARG 160 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1uls h ARG 160 CO -0.31 0.49 0.11 1.15 -1.07 0.00 0.00 179.97 180.34 1uls h THR 161 N 0.77 1.22 -0.79 2.04 2.02 -0.86 -2.52 112.91 114.79 1uls h THR 161 Ca 0.26 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1uls h THR 161 Cb 0.04 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1uls h THR 161 CO -0.11 0.26 0.44 -0.07 0.37 0.00 0.00 175.52 176.41 1uls h LEU 162 N 0.52 0.98 -1.26 2.58 4.07 -0.40 -2.10 115.31 119.70 1uls h LEU 162 Ca 0.13 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 1uls h LEU 162 Cb 0.29 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1uls h LEU 162 CO -0.00 0.79 0.06 0.00 -1.08 0.00 0.00 178.44 178.21 1uls h ALA 163 N 1.23 1.40 -0.28 1.53 0.00 -0.66 -0.91 119.26 121.56 1uls h ALA 163 Ca 0.28 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1uls h ALA 163 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1uls h ALA 163 CO -0.05 0.43 -0.51 -0.07 0.00 0.00 0.00 179.25 179.05 1uls h LEU 164 N 0.56 0.88 0.00 0.00 3.38 -1.00 -1.97 115.31 117.16 1uls h LEU 164 Ca 0.13 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1uls h LEU 164 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1uls h LEU 164 CO 0.00 1.23 -0.17 -0.33 0.09 0.00 0.00 178.44 179.26 1uls h GLU 165 N 0.62 0.00 -0.00 1.13 5.08 -1.02 -3.34 114.58 117.06 1uls h GLU 165 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1uls h GLU 165 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1uls h GLU 165 CO 0.11 0.00 -0.65 1.28 -1.00 0.00 0.00 179.01 178.76 1uls n LEU 166 N -3.03 0.96 -0.04 1.33 4.77 -0.38 -4.66 117.00 115.95 1uls n LEU 166 Ca 0.03 -0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 55.36 1uls n LEU 166 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1uls n LEU 166 CO 0.35 0.22 0.66 1.23 -1.33 0.00 0.00 177.39 178.52 1uls h GLY 167 N 3.68 -0.31 2.00 -0.72 0.00 -1.45 -1.12 103.07 105.15 1uls h GLY 167 Ca 0.00 0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 1uls h GLY 167 CO 0.00 -0.21 -0.00 0.07 0.00 0.00 0.00 176.54 176.40 1uls h ARG 168 N -0.32 0.00 -0.47 4.80 0.11 -1.84 -0.81 114.38 115.85 1uls h ARG 168 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1uls h ARG 168 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1uls h ARG 168 CO -0.40 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.58 1uls n TRP 169 N -3.08 0.65 -1.01 4.08 7.02 -0.45 -4.91 117.44 119.74 1uls n TRP 169 Ca -0.03 -0.31 -0.00 0.00 -1.02 0.00 0.00 57.50 56.14 1uls n TRP 169 Cb 0.07 -0.02 -0.00 0.00 -2.42 0.00 0.00 31.31 28.94 1uls n TRP 169 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1uls n GLY 170 N 1.17 0.34 3.49 6.99 0.00 -0.31 -4.45 105.19 112.42 1uls n GLY 170 Ca 0.15 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.66 4.71 0.13 -0.61 1.01 -1.05 -1.98 121.20 121.75 1uls s ILE 171 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1uls s ILE 171 Cb 0.00 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 1uls s ILE 171 CO 0.00 0.22 0.43 -0.13 0.00 0.00 0.00 174.94 175.47 1uls s ARG 172 N 1.66 3.75 -0.07 2.79 0.52 0.29 -3.80 118.95 124.08 1uls s ARG 172 Ca 0.06 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1uls s ARG 172 Cb -0.16 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.45 1uls s ARG 172 CO 0.07 0.48 -0.05 0.08 0.02 0.00 0.00 175.30 175.90 1uls s VAL 173 N -1.55 0.69 0.06 3.52 1.01 -1.26 0.03 120.40 122.90 1uls s VAL 173 Ca 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1uls s VAL 173 Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1uls s VAL 173 CO 0.20 0.29 -0.04 0.20 0.00 0.00 0.00 175.10 175.75 1uls s ASN 174 N 1.37 0.68 -0.04 3.32 0.01 -0.15 0.80 114.94 120.94 1uls s ASN 174 Ca -0.03 -0.97 0.05 0.00 -0.71 0.00 0.00 52.86 51.20 1uls s ASN 174 Cb -0.13 0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.68 1uls s ASN 174 CO -0.03 -0.53 -0.18 0.28 -1.51 0.00 0.00 177.10 175.12 1uls s THR 175 N -3.64 1.52 -0.02 1.60 -1.32 -0.17 -0.51 115.64 113.10 1uls s THR 175 Ca 0.07 -0.77 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 1uls s THR 175 Cb 0.06 -1.30 -0.05 0.00 -1.51 0.00 0.00 72.50 69.69 1uls s THR 175 CO -0.08 0.44 0.44 -0.76 -2.21 0.00 0.00 174.62 172.45 1uls s LEU 176 N -0.03 4.43 -0.62 9.08 1.43 0.09 -0.88 118.68 132.18 1uls s LEU 176 Ca -0.03 0.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.08 1uls s LEU 176 Cb -0.11 -2.64 0.19 0.00 0.03 0.00 0.00 46.19 43.66 1uls s LEU 176 CO 0.02 0.24 0.53 0.00 0.23 0.00 0.00 176.35 177.37 1uls n ALA 177 N 2.27 3.41 -1.55 4.21 0.00 0.01 0.14 120.51 129.00 1uls n ALA 177 Ca -0.12 -4.27 -0.32 0.00 0.00 0.00 0.00 53.44 48.73 1uls n ALA 177 Cb 0.52 -0.94 0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.42 2.96 0.00 0.00 0.04 -1.26 -1.80 135.00 133.52 1uls s PRO 178 Ca 0.30 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1uls s PRO 178 Cb 0.03 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1uls s PRO 178 CO -0.14 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1uls n GLY 179 N -1.07 0.53 3.45 0.56 0.00 -0.20 -1.67 105.19 106.78 1uls n GLY 179 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 3.08 2.70 -0.15 1.61 5.36 -1.26 -4.91 117.98 124.42 1uls s PHE 180 Ca 0.00 -0.59 -0.07 0.00 -0.96 0.00 0.00 56.93 55.31 1uls s PHE 180 Cb 0.00 -4.28 -0.04 0.00 -0.34 0.00 0.00 43.02 38.36 1uls s PHE 180 CO 0.00 -1.63 0.10 0.42 -1.46 0.00 0.00 175.22 172.65 1uls s ILE 181 N 3.96 5.12 -0.98 3.12 -1.09 -1.26 -0.18 121.20 129.88 1uls s ILE 181 Ca 0.22 0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.51 1uls s ILE 181 Cb -0.17 -3.26 -0.10 0.00 -1.58 0.00 0.00 42.46 37.35 1uls s ILE 181 CO 0.09 0.54 2.00 1.21 -1.23 0.00 0.00 174.94 177.56 1uls n GLU 182 N 2.73 1.89 -0.11 2.79 4.07 0.69 -4.77 120.64 127.92 1uls n GLU 182 Ca -0.18 -2.10 0.00 0.00 -0.06 0.00 0.00 57.16 54.82 1uls n GLU 182 Cb 0.53 -3.06 0.00 0.00 -0.06 0.00 0.00 31.44 28.85 1uls n GLU 182 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1uls n THR 183 N 5.85 0.00 -1.03 6.31 -2.24 -1.26 -4.72 114.28 117.19 1uls n THR 183 Ca 0.50 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.06 1uls n THR 183 Cb 0.40 -1.65 0.05 0.00 -2.10 0.00 0.00 70.33 67.04 1uls n THR 183 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1uls n ARG 184 N -0.31 2.08 0.00 -0.78 3.00 -1.26 -3.71 116.66 115.68 1uls n ARG 184 Ca 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 57.85 55.76 1uls n ARG 184 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 30.64 1uls n ARG 184 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1uls n THR 186 N -0.03 0.00 0.01 5.15 -2.24 -1.26 -3.70 114.28 112.21 1uls n THR 186 Ca 0.40 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.19 1uls n THR 186 Cb 0.60 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.47 0.00 6.98 0.00 -1.93 -2.73 119.26 123.06 1uls h ALA 187 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uls h ALA 187 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1uls h ALA 187 CO 0.00 0.39 0.00 1.17 0.00 0.00 0.00 179.25 180.81 1uls n LYS 188 N -4.33 0.41 0.00 0.00 4.81 -1.24 -4.93 118.16 112.87 1uls n LYS 188 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1uls n LYS 188 Cb 0.19 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 33.95 1uls n LYS 188 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1uls n VAL 189 N 0.78 0.00 -1.76 3.15 0.24 -1.03 -4.93 118.33 114.78 1uls n VAL 189 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1uls n VAL 189 Cb 0.20 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1uls n VAL 189 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1uls n PRO 190 N -0.01 2.57 0.00 7.34 -0.04 -1.26 -4.88 135.00 138.72 1uls n PRO 190 Ca 0.00 0.90 0.02 0.00 -0.04 0.00 0.00 63.50 64.38 1uls n PRO 190 Cb 0.00 -2.63 0.12 0.00 -0.04 0.00 0.00 33.50 30.95 1uls n PRO 190 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1uls n GLU 191 N 0.38 0.44 -0.03 0.54 2.13 -1.26 -2.65 120.64 120.18 1uls n GLU 191 Ca 0.02 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.83 1uls n GLU 191 Cb 0.39 -1.14 -0.00 0.00 0.27 0.00 0.00 31.44 30.95 1uls n GLU 191 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1uls h LYS 192 N 0.00 0.00 -0.63 5.31 6.56 -1.99 -3.20 116.57 122.62 1uls h LYS 192 Ca 0.00 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.68 1uls h LYS 192 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 1uls h LYS 192 CO 0.00 0.00 0.42 0.28 -2.06 0.00 0.00 179.45 178.09 1uls h VAL 193 N -0.50 0.93 -0.30 0.50 2.07 -1.91 -2.24 116.25 114.80 1uls h VAL 193 Ca 0.00 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 1uls h VAL 193 Cb 0.13 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1uls h VAL 193 CO 0.00 0.09 -0.34 -0.09 0.02 0.00 0.00 177.57 177.25 1uls h ARG 194 N 0.50 0.76 -0.13 1.57 2.43 -1.71 -1.85 114.38 115.96 1uls h ARG 194 Ca 0.28 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 1uls h ARG 194 Cb 0.46 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1uls h ARG 194 CO -0.09 1.04 -0.25 0.93 -1.51 0.00 0.00 179.97 180.10 1uls h GLU 195 N 0.52 0.24 -0.09 0.20 4.39 -1.41 -2.18 114.58 116.24 1uls h GLU 195 Ca 0.04 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 1uls h GLU 195 Cb 0.92 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1uls h GLU 195 CO 0.08 0.48 -0.64 -0.22 -1.16 0.00 0.00 179.01 177.55 1uls h LYS 196 N 0.22 0.36 0.44 2.33 1.63 -1.33 -2.86 116.57 117.35 1uls h LYS 196 Ca 0.03 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 1uls h LYS 196 Cb 0.57 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1uls h LYS 196 CO 0.04 0.88 -0.21 0.00 -3.45 0.00 0.00 179.45 176.71 1uls h ALA 197 N 1.06 -0.59 -0.99 5.00 0.00 -0.73 -2.36 119.26 120.64 1uls h ALA 197 Ca -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1uls h ALA 197 Cb 1.18 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1uls h ALA 197 CO 0.11 -0.75 0.65 0.82 0.00 0.00 0.00 179.25 180.08 1uls h ILE 198 N -0.75 1.23 -0.03 0.00 2.04 -1.52 -1.29 117.51 117.19 1uls h ILE 198 Ca -0.06 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1uls h ILE 198 Cb 0.53 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1uls h ILE 198 CO 0.10 0.24 0.02 0.00 0.00 0.00 0.00 178.15 178.51 1uls h ALA 199 N 1.40 1.97 -0.50 1.87 0.00 -1.39 0.21 119.26 122.81 1uls h ALA 199 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1uls h ALA 199 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1uls h ALA 199 CO -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1uls n ALA 200 N -2.52 2.42 -3.34 0.00 0.00 -0.51 -4.82 120.51 111.75 1uls n ALA 200 Ca -0.02 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.15 1uls n ALA 200 Cb 0.12 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.34 3.62 0.37 0.00 2.01 0.06 -4.29 115.64 116.07 1uls s THR 201 Ca 0.35 -1.22 0.20 0.00 0.31 0.00 0.00 61.69 61.33 1uls s THR 201 Cb 0.18 -3.07 0.37 0.00 0.01 0.00 0.00 72.50 69.99 1uls s THR 201 CO 0.24 -0.19 1.62 -0.65 -0.69 0.00 0.00 174.62 174.95 1uls h PRO 202 N 8.17 0.14 0.00 4.92 0.11 -1.76 1.02 132.00 144.61 1uls h PRO 202 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1uls h PRO 202 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1uls h PRO 202 CO 0.60 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 1uls n LEU 203 N -5.07 0.00 -3.73 2.35 4.77 -1.08 -4.95 117.00 109.30 1uls n LEU 203 Ca 0.35 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 1uls n LEU 203 Cb 1.20 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 42.15 1uls n LEU 203 CO 0.08 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1uls n GLY 204 N 1.14 -0.35 3.60 -0.72 0.00 0.35 -4.98 105.19 104.23 1uls n GLY 204 Ca 0.18 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 -6.10 0.39 0.62 1.61 1.70 -1.26 -5.05 118.95 110.86 1uls s ARG 205 Ca 0.19 -0.17 -0.11 0.00 -0.47 0.00 0.00 55.73 55.17 1uls s ARG 205 Cb -0.09 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1uls s ARG 205 CO 0.81 -0.17 1.03 0.00 -1.08 0.00 0.00 175.30 175.88 1uls s ALA 206 N -2.50 3.10 0.63 7.88 0.00 -1.26 -4.90 121.76 124.71 1uls s ALA 206 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1uls s ALA 206 Cb 0.00 -3.08 0.06 0.00 0.00 0.00 0.00 23.12 20.10 1uls s ALA 206 CO -0.05 -0.69 0.89 0.20 0.00 0.00 0.00 175.76 176.12 1uls s GLY 207 N -4.17 1.78 0.19 0.00 0.00 0.75 -4.87 107.32 100.99 1uls s GLY 207 Ca 0.55 -1.28 0.10 0.00 0.00 0.00 0.00 44.72 44.09 1uls s GLY 207 CO 0.54 -0.90 -0.15 0.54 0.00 0.00 0.00 173.10 173.12 1uls s LYS 208 N -4.99 1.85 0.25 2.90 1.02 -1.26 -0.23 119.74 119.28 1uls s LYS 208 Ca 0.60 -1.38 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 1uls s LYS 208 Cb -0.09 -2.03 0.37 0.00 -0.52 0.00 0.00 37.83 35.56 1uls s LYS 208 CO 0.41 0.42 1.86 -1.00 -0.92 0.00 0.00 175.35 176.12 1uls h PRO 209 N 2.99 1.03 -0.84 -1.68 0.13 -1.93 -2.20 132.00 129.50 1uls h PRO 209 Ca -0.46 -0.06 0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1uls h PRO 209 Cb 1.21 -0.23 -0.07 0.00 0.13 0.00 0.00 31.00 32.03 1uls h PRO 209 CO 0.52 0.68 0.49 1.25 -0.23 0.00 0.00 178.00 180.71 1uls h LEU 210 N 1.06 0.71 -1.67 1.56 6.46 -1.91 -0.33 115.31 121.18 1uls h LEU 210 Ca 0.40 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.24 1uls h LEU 210 Cb 0.18 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1uls h LEU 210 CO -0.18 0.41 0.27 -0.33 -0.62 0.00 0.00 178.44 177.99 1uls h GLU 211 N 0.82 0.42 0.03 1.25 5.08 -1.81 0.16 114.58 120.53 1uls h GLU 211 Ca 0.40 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.52 1uls h GLU 211 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1uls h GLU 211 CO -0.24 0.28 -0.97 0.28 -1.00 0.00 0.00 179.01 177.36 1uls h VAL 212 N 0.43 1.54 -0.61 3.13 2.07 -1.18 -3.09 116.25 118.54 1uls h VAL 212 Ca 0.17 -2.85 -0.01 0.00 0.82 0.00 0.00 66.70 64.82 1uls h VAL 212 Cb 0.12 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1uls h VAL 212 CO -0.04 0.83 0.34 0.00 0.02 0.00 0.00 177.57 178.72 1uls h ALA 213 N 0.90 0.77 -0.10 1.67 0.00 0.81 -1.55 119.26 121.76 1uls h ALA 213 Ca -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1uls h ALA 213 Cb 1.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1uls h ALA 213 CO 0.15 0.28 -0.21 1.88 0.00 0.00 0.00 179.25 181.35 1uls h TYR 214 N 0.82 0.18 -0.17 0.00 0.99 -0.91 0.10 116.97 117.99 1uls h TYR 214 Ca 0.21 -0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.77 1uls h TYR 214 Cb 0.02 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 37.70 1uls h TYR 214 CO -0.01 0.37 -0.52 0.00 -0.00 0.00 0.00 178.16 178.01 1uls h ALA 215 N 1.63 0.80 -0.02 3.88 0.00 -1.34 -1.63 119.26 122.59 1uls h ALA 215 Ca 0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1uls h ALA 215 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1uls h ALA 215 CO 0.03 0.68 -0.74 0.00 0.00 0.00 0.00 179.25 179.22 1uls h ALA 216 N 1.08 0.72 -0.27 0.00 0.00 -0.42 -2.61 119.26 117.76 1uls h ALA 216 Ca 0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1uls h ALA 216 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1uls h ALA 216 CO 0.09 0.85 0.03 1.25 0.00 0.00 0.00 179.25 181.48 1uls h LEU 217 N 0.09 0.44 -0.03 0.00 6.46 -0.53 -1.18 115.31 120.55 1uls h LEU 217 Ca -0.02 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1uls h LEU 217 Cb 1.30 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.10 1uls h LEU 217 CO 0.11 0.60 -0.06 0.15 -0.62 0.00 0.00 178.44 178.62 1uls h PHE 218 N 0.26 -0.14 0.00 1.25 3.57 -1.25 0.22 116.94 120.85 1uls h PHE 218 Ca 0.08 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1uls h PHE 218 Cb 0.36 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1uls h PHE 218 CO 0.03 -0.09 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.73 1uls h LEU 219 N -0.09 0.00 0.00 0.59 3.38 -1.37 -2.89 115.31 114.93 1uls h LEU 219 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1uls h LEU 219 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1uls h LEU 219 CO -0.09 0.22 -1.22 -0.11 0.09 0.00 0.00 178.44 177.33 1uls n LEU 220 N -3.94 0.81 -4.89 1.67 0.00 -0.46 -4.84 117.00 105.36 1uls n LEU 220 Ca -0.02 0.33 -0.30 0.00 0.00 0.00 0.00 56.01 56.03 1uls n LEU 220 Cb 0.30 -0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.76 1uls n LEU 220 CO 0.34 -0.05 0.71 -0.94 0.00 0.00 0.00 177.39 177.46 1uls s SER 221 N -5.49 5.52 0.31 1.96 1.04 0.03 -4.76 113.70 112.32 1uls s SER 221 Ca -0.02 1.08 0.24 0.00 0.48 0.00 0.00 55.95 57.72 1uls s SER 221 Cb 0.09 -1.93 1.13 0.00 0.10 0.00 0.00 66.02 65.41 1uls s SER 221 CO 0.80 -1.26 1.71 0.44 0.98 0.00 0.00 173.24 175.92 1uls h ASP 222 N -0.55 0.00 0.14 7.02 3.32 -1.84 -2.63 116.42 121.88 1uls h ASP 222 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1uls h ASP 222 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1uls h ASP 222 CO 0.63 0.00 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.78 1uls h GLU 223 N 0.00 0.00 -0.58 3.56 5.08 -1.92 -0.26 114.58 120.46 1uls h GLU 223 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1uls h GLU 223 Cb 0.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.27 1uls h GLU 223 CO 0.00 0.04 0.18 -1.13 -1.00 0.00 0.00 179.01 177.10 1uls n SER 224 N -3.72 3.16 0.08 1.42 3.41 -0.99 -4.74 113.62 112.24 1uls n SER 224 Ca -0.03 -3.63 0.20 0.00 -0.26 0.00 0.00 58.87 55.16 1uls n SER 224 Cb 0.14 -0.70 0.75 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.20 0.00 -0.42 4.04 4.64 -1.19 -0.56 113.55 121.26 1uls h SER 225 Ca 0.34 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 1uls h SER 225 Cb 2.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.12 1uls h SER 225 CO 0.63 0.00 0.05 0.33 -0.87 0.00 0.00 176.83 176.97 1uls n PHE 226 N -3.77 1.44 -4.09 4.77 7.35 -1.26 -4.92 117.46 116.97 1uls n PHE 226 Ca 0.07 -1.05 -0.32 0.00 -0.76 0.00 0.00 57.45 55.39 1uls n PHE 226 Cb 0.61 -0.45 -0.16 0.00 0.35 0.00 0.00 39.48 39.83 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 -2.93 1.96 0.01 -2.13 1.01 -0.22 -5.11 121.20 113.79 1uls s ILE 227 Ca 0.47 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 1uls s ILE 227 Cb 0.38 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 41.07 1uls s ILE 227 CO 0.09 0.47 0.38 0.28 0.00 0.00 0.00 174.94 176.16 1uls s THR 228 N 1.32 0.06 -0.83 2.92 -1.32 -1.26 -4.75 115.64 111.77 1uls s THR 228 Ca 0.04 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1uls s THR 228 Cb -0.14 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1uls s THR 228 CO -0.12 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 1uls n GLY 229 N 0.91 0.36 3.80 6.08 0.00 0.24 -4.95 105.19 111.63 1uls n GLY 229 Ca -0.20 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.88 2.88 -0.25 1.61 -1.52 -1.26 -4.83 119.66 112.42 1uls s GLN 230 Ca 0.00 -0.93 -0.04 0.00 -1.95 0.00 0.00 55.36 52.44 1uls s GLN 230 Cb 0.00 -2.61 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 1uls s GLN 230 CO 0.00 0.46 -0.02 0.08 -0.25 0.00 0.00 175.29 175.56 1uls s VAL 231 N -1.86 3.32 -0.39 1.09 1.01 -1.26 -1.00 120.40 121.32 1uls s VAL 231 Ca 0.31 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1uls s VAL 231 Cb -0.09 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.71 1uls s VAL 231 CO 0.24 0.23 0.20 -0.22 0.00 0.00 0.00 175.10 175.55 1uls s LEU 232 N 1.42 4.86 -0.05 3.92 2.96 -0.06 -4.95 118.68 126.77 1uls s LEU 232 Ca 0.02 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.24 1uls s LEU 232 Cb -0.16 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1uls s LEU 232 CO -0.02 -0.46 1.08 -0.36 -1.32 0.00 0.00 176.35 175.27 1uls s PHE 233 N 1.40 3.44 -0.62 5.38 0.40 -1.26 -0.81 117.98 125.90 1uls s PHE 233 Ca 0.02 1.47 0.06 0.00 -0.60 0.00 0.00 56.93 57.88 1uls s PHE 233 Cb -0.22 -3.27 0.22 0.00 0.51 0.00 0.00 43.02 40.27 1uls s PHE 233 CO 0.02 -0.61 0.64 0.28 0.70 0.00 0.00 175.22 176.25 1uls n VAL 234 N 4.38 1.71 -1.51 -0.44 0.31 -0.74 -4.80 118.33 117.23 1uls n VAL 234 Ca 0.09 -4.93 0.01 0.00 -0.01 0.00 0.00 64.34 59.50 1uls n VAL 234 Cb 0.48 -2.09 0.02 0.00 -0.91 0.00 0.00 33.84 31.34 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 1.30 0.43 -1.76 4.52 3.85 -1.26 -1.03 116.55 122.59 1uls n ASP 235 Ca 0.26 -1.90 -0.21 0.00 -0.71 0.00 0.00 54.79 52.23 1uls n ASP 235 Cb 0.41 -0.17 -0.07 0.00 -1.35 0.00 0.00 41.12 39.93 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 -0.22 1.51 1.32 6.12 0.00 -1.26 -2.12 105.19 110.53 1uls n GLY 236 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.51 0.65 0.09 -0.02 0.00 -1.26 -2.63 105.19 101.51 1uls n GLY 237 Ca -0.22 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.73 1uls n GLY 237 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1uls n ARG 238 N -2.66 0.09 -0.00 1.61 0.00 -0.90 -2.00 116.66 112.79 1uls n ARG 238 Ca 0.00 0.55 0.08 0.00 -0.00 0.00 0.00 57.85 58.48 1uls n ARG 238 Cb 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 32.46 30.59 1uls n ARG 238 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1uls n THR 239 N -1.95 0.00 -1.77 5.15 -1.04 -1.26 -4.91 114.28 108.49 1uls n THR 239 Ca -0.00 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1uls n THR 239 Cb 0.04 0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 69.33 1uls n THR 239 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1uls s ILE 240 N -2.67 2.97 0.00 12.58 1.01 -0.85 -1.67 121.20 132.57 1uls s ILE 240 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1uls s ILE 240 Cb 0.12 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1uls s ILE 240 CO 0.67 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1uls n GLY 241 N 4.31 2.00 3.78 6.18 0.00 -1.26 -5.10 105.19 115.10 1uls n GLY 241 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.75 3.65 0.08 4.61 0.00 -0.67 -5.03 121.76 122.64 1uls s ALA 242 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1uls s ALA 242 Cb 0.00 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 1uls s ALA 242 CO 0.00 0.28 1.88 0.00 0.00 0.00 0.00 175.76 177.92 1uls s ALA 243 N -0.24 3.67 1.18 0.00 0.00 -1.26 -4.95 121.76 120.16 1uls s ALA 243 Ca 0.20 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 1uls s ALA 243 Cb -0.14 -3.80 0.28 0.00 0.00 0.00 0.00 23.12 19.45 1uls s ALA 243 CO 0.08 -1.39 1.04 -1.25 0.00 0.00 0.00 175.76 174.25 1uls s PRO 244 N 3.57 -1.00 0.00 0.00 0.04 -1.26 -5.08 135.00 131.27 1uls s PRO 244 Ca 0.84 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1uls s PRO 244 Cb -0.44 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1uls s PRO 244 CO 0.38 -3.67 0.12 0.00 0.04 0.00 0.00 177.00 173.87