#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucg n ASP 2 N 0.00 0.73 -3.74 3.17 5.68 -0.26 -4.92 116.55 117.21 1ucg n ASP 2 Ca 0.00 -0.92 0.02 0.00 -0.50 0.00 0.00 54.79 53.40 1ucg n ASP 2 Cb 0.00 0.13 0.01 0.00 -1.14 0.00 0.00 41.12 40.12 1ucg n ASP 2 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ucg s SER 3 N -0.13 -0.01 0.05 -1.12 1.04 -1.22 -3.41 113.70 108.89 1ucg s SER 3 Ca 0.00 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.27 1ucg s SER 3 Cb 0.00 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1ucg s SER 3 CO 0.00 -0.32 -0.12 -0.36 0.98 0.00 0.00 173.24 173.42 1ucg s PHE 4 N -2.14 1.06 -0.24 5.02 0.40 0.20 -0.07 117.98 122.21 1ucg s PHE 4 Ca 0.24 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1ucg s PHE 4 Cb 0.01 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.92 1ucg s PHE 4 CO -0.01 0.02 -0.03 -1.58 0.70 0.00 0.00 175.22 174.32 1ucg s TRP 5 N -1.01 3.01 -0.44 0.36 0.52 -0.18 -1.24 118.94 119.96 1ucg s TRP 5 Ca -0.02 -1.06 -0.16 0.00 0.02 0.00 0.00 56.10 54.89 1ucg s TRP 5 Cb -0.08 -2.12 0.04 0.00 -1.15 0.00 0.00 33.47 30.15 1ucg s TRP 5 CO 0.01 -0.59 0.39 0.12 0.02 0.00 0.00 176.95 176.91 1ucg s PHE 6 N 1.45 3.21 -0.25 -1.98 5.36 0.49 -0.55 117.98 125.72 1ucg s PHE 6 Ca 0.04 -0.61 -0.09 0.00 -0.96 0.00 0.00 56.93 55.31 1ucg s PHE 6 Cb -0.15 -2.89 -0.04 0.00 -0.34 0.00 0.00 43.02 39.60 1ucg s PHE 6 CO -0.03 -0.71 0.12 0.08 -1.46 0.00 0.00 175.22 173.23 1ucg s VAL 7 N 1.87 4.87 -0.02 3.12 1.01 -0.20 -1.26 120.40 129.78 1ucg s VAL 7 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1ucg s VAL 7 Cb -0.20 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1ucg s VAL 7 CO 0.10 0.33 -0.07 -1.10 0.00 0.00 0.00 175.10 174.36 1ucg s GLN 8 N 1.36 2.61 0.19 2.72 -0.21 -0.51 -0.38 119.66 125.44 1ucg s GLN 8 Ca 0.06 -0.67 0.10 0.00 0.02 0.00 0.00 55.36 54.88 1ucg s GLN 8 Cb -0.15 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 1ucg s GLN 8 CO 0.06 0.62 -0.17 1.14 -2.12 0.00 0.00 175.29 174.82 1ucg s GLN 9 N -1.19 1.78 -0.51 2.91 -2.07 0.33 -1.19 119.66 119.72 1ucg s GLN 9 Ca 0.15 -1.42 -0.14 0.00 -1.82 0.00 0.00 55.36 52.13 1ucg s GLN 9 Cb -0.11 -1.98 0.11 0.00 -1.09 0.00 0.00 33.01 29.94 1ucg s GLN 9 CO 0.05 0.41 0.43 -0.46 -1.32 0.00 0.00 175.29 174.41 1ucg s TRP 10 N -1.74 3.29 0.23 9.60 -0.00 -0.15 -1.83 118.94 128.34 1ucg s TRP 10 Ca 0.23 -1.34 -0.13 0.00 -0.00 0.00 0.00 56.10 54.87 1ucg s TRP 10 Cb -0.08 -3.56 0.30 0.00 -0.00 0.00 0.00 33.47 30.13 1ucg s TRP 10 CO 0.13 -0.96 1.59 -1.35 -0.00 0.00 0.00 176.95 176.36 1ucg h PRO 11 N 8.75 -0.02 -0.72 5.86 0.11 -1.83 -2.19 132.00 141.96 1ucg h PRO 11 Ca -0.28 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.95 1ucg h PRO 11 Cb 1.10 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 1ucg h PRO 11 CO 0.96 -0.02 0.31 -1.35 -0.21 0.00 0.00 178.00 177.69 1ucg h PRO 12 N -0.03 0.48 -0.24 1.05 0.11 -1.74 -0.48 132.00 131.16 1ucg h PRO 12 Ca 0.36 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.32 1ucg h PRO 12 Cb 0.58 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1ucg h PRO 12 CO -0.82 0.32 -0.31 0.00 -0.21 0.00 0.00 178.00 176.98 1ucg h ALA 13 N 1.48 0.36 -0.94 -0.75 0.00 -1.73 -2.86 119.26 114.81 1ucg h ALA 13 Ca 0.37 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ucg h ALA 13 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1ucg h ALA 13 CO -0.34 0.39 0.56 0.28 0.00 0.00 0.00 179.25 180.14 1ucg h VAL 14 N 0.34 1.26 -0.38 0.00 2.07 -0.99 -2.36 116.25 116.19 1ucg h VAL 14 Ca 0.03 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1ucg h VAL 14 Cb 0.89 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1ucg h VAL 14 CO 0.07 0.28 0.01 0.00 0.02 0.00 0.00 177.57 177.95 1ucg h SER 16 N 0.57 0.00 0.94 0.00 4.64 -1.18 -1.21 113.55 117.31 1ucg h SER 16 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ucg h SER 16 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ucg h SER 16 CO 0.01 0.00 -0.27 0.49 -0.87 0.00 0.00 176.83 176.19 1ucg n PHE 17 N -3.98 0.32 -3.14 4.77 3.01 -1.06 -4.48 117.46 112.90 1ucg n PHE 17 Ca -0.02 0.09 -0.45 0.00 1.01 0.00 0.00 57.45 58.08 1ucg n PHE 17 Cb 0.13 -0.56 -0.02 0.00 -0.01 0.00 0.00 39.48 39.02 1ucg n PHE 17 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1ucg s GLN 18 N -3.06 3.73 -0.01 -1.08 0.74 -0.46 -4.83 119.66 114.69 1ucg s GLN 18 Ca 0.11 -2.30 0.10 0.00 0.05 0.00 0.00 55.36 53.32 1ucg s GLN 18 Cb 0.16 -4.70 0.31 0.00 1.10 0.00 0.00 33.01 29.89 1ucg s GLN 18 CO 0.63 -1.52 1.24 1.63 -0.55 0.00 0.00 175.29 176.72 1ucg n LYS 19 N 4.98 1.90 -3.84 1.67 5.02 -1.26 -4.58 118.16 122.05 1ucg n LYS 19 Ca 0.21 -1.26 -0.29 0.00 -2.02 0.00 0.00 58.31 54.95 1ucg n LYS 19 Cb 0.46 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 1ucg n LYS 19 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ucg s SER 20 N -0.93 4.16 0.00 4.39 0.15 -1.26 -5.06 113.70 115.15 1ucg s SER 20 Ca 0.23 -3.29 0.00 0.00 0.70 0.00 0.00 55.95 53.60 1ucg s SER 20 Cb 0.13 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1ucg s SER 20 CO 0.15 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1ucg n GLY 21 N 2.71 -0.35 3.96 9.45 0.00 -1.26 -5.06 105.19 114.64 1ucg n GLY 21 Ca 0.14 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.66 1ucg n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ucg s SER 22 N -3.88 4.08 -0.30 1.61 1.04 -1.26 -5.07 113.70 109.92 1ucg s SER 22 Ca 0.00 0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.33 1ucg s SER 22 Cb 0.00 -0.34 0.13 0.00 0.10 0.00 0.00 66.02 65.90 1ucg s SER 22 CO 0.00 -2.06 0.66 0.00 0.98 0.00 0.00 173.24 172.82 1ucg h PRO 24 N 7.92 0.88 -1.30 0.00 0.11 -1.91 -3.20 132.00 134.50 1ucg h PRO 24 Ca -0.19 -0.17 0.38 0.00 0.11 0.00 0.00 66.00 66.13 1ucg h PRO 24 Cb 1.11 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 1ucg h PRO 24 CO 0.10 0.77 1.10 0.78 -0.21 0.00 0.00 178.00 180.54 1ucg h GLY 25 N 0.81 0.00 1.84 -0.55 0.00 -1.85 0.65 103.07 103.97 1ucg h GLY 25 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1ucg h GLY 25 CO -0.01 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.27 1ucg h SER 26 N 0.00 0.18 1.42 0.19 0.02 -1.77 -1.53 113.55 112.07 1ucg h SER 26 Ca 0.62 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.46 1ucg h SER 26 Cb 2.81 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 65.29 1ucg h SER 26 CO -0.01 0.24 -0.60 1.23 -1.14 0.00 0.00 176.83 176.56 1ucg h GLY 27 N 0.47 0.00 -4.26 -3.77 0.00 0.08 -3.45 103.07 92.14 1ucg h GLY 27 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.85 1ucg h GLY 27 CO 0.00 0.00 0.31 1.08 0.00 0.00 0.00 176.54 177.94 1ucg s LEU 28 N -6.22 4.47 -0.15 3.11 1.43 -0.58 -4.97 118.68 115.78 1ucg s LEU 28 Ca 0.03 1.69 0.14 0.00 -1.03 0.00 0.00 54.13 54.97 1ucg s LEU 28 Cb 0.07 -3.50 0.38 0.00 0.03 0.00 0.00 46.19 43.18 1ucg s LEU 28 CO 0.75 -0.08 1.19 0.54 0.23 0.00 0.00 176.35 178.98 1ucg n ARG 29 N 2.96 1.19 -4.12 1.70 5.12 -1.26 -4.29 116.66 117.96 1ucg n ARG 29 Ca 0.02 -2.87 -0.08 0.00 -1.93 0.00 0.00 57.85 52.99 1ucg n ARG 29 Cb 0.50 -1.27 -0.10 0.00 -1.16 0.00 0.00 32.46 30.43 1ucg n ARG 29 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1ucg s THR 30 N -2.47 0.16 0.17 0.55 -1.32 -1.26 -5.09 115.64 106.38 1ucg s THR 30 Ca 0.35 -1.85 -0.30 0.00 -1.21 0.00 0.00 61.69 58.67 1ucg s THR 30 Cb 0.34 -1.80 -0.08 0.00 -1.51 0.00 0.00 72.50 69.46 1ucg s THR 30 CO -0.07 -0.71 1.26 -0.36 -2.21 0.00 0.00 174.62 172.53 1ucg s PHE 31 N -3.99 3.34 0.30 9.09 0.40 -1.26 -4.46 117.98 121.40 1ucg s PHE 31 Ca 0.16 1.28 0.10 0.00 -0.60 0.00 0.00 56.93 57.88 1ucg s PHE 31 Cb 0.08 -3.53 -0.06 0.00 0.51 0.00 0.00 43.02 40.02 1ucg s PHE 31 CO -0.04 -1.61 -0.14 0.95 0.70 0.00 0.00 175.22 175.08 1ucg s THR 32 N 0.21 2.28 0.08 0.64 -4.23 -0.76 -4.93 115.64 108.92 1ucg s THR 32 Ca 0.56 -2.29 -0.30 0.00 -1.18 0.00 0.00 61.69 58.47 1ucg s THR 32 Cb -0.34 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.00 1ucg s THR 32 CO 0.36 -0.32 1.17 -0.63 -0.54 0.00 0.00 174.62 174.66 1ucg s ILE 33 N -2.61 4.05 -0.22 2.99 1.01 0.07 -0.52 121.20 125.98 1ucg s ILE 33 Ca 0.31 1.52 -0.17 0.00 0.00 0.00 0.00 60.65 62.30 1ucg s ILE 33 Cb -0.01 -3.97 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 1ucg s ILE 33 CO 0.15 0.14 -0.07 1.57 0.00 0.00 0.00 174.94 176.73 1ucg n HIS 34 N 3.68 0.62 0.00 3.97 -0.00 0.49 -4.72 115.22 119.26 1ucg n HIS 34 Ca 0.08 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1ucg n HIS 34 Cb 0.47 -0.96 0.00 0.00 -0.00 0.00 0.00 29.99 29.50 1ucg n HIS 34 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ucg n GLY 35 N 1.41 0.23 3.18 1.57 0.00 -1.01 -4.99 105.19 105.59 1ucg n GLY 35 Ca -0.33 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1ucg n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ucg s LEU 36 N 0.00 3.86 -0.31 0.99 2.96 -1.26 -1.04 118.68 123.88 1ucg s LEU 36 Ca 0.00 -1.24 -0.07 0.00 -0.22 0.00 0.00 54.13 52.60 1ucg s LEU 36 Cb 0.00 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.99 1ucg s LEU 36 CO 0.00 -0.25 0.10 0.26 -1.32 0.00 0.00 176.35 175.14 1ucg s TRP 37 N 1.26 3.18 0.44 5.38 0.51 0.29 -4.57 118.94 125.43 1ucg s TRP 37 Ca -0.05 -1.04 -0.25 0.00 -2.12 0.00 0.00 56.10 52.64 1ucg s TRP 37 Cb -0.20 -2.28 -0.08 0.00 -0.81 0.00 0.00 33.47 30.11 1ucg s TRP 37 CO -0.01 -0.61 1.30 -2.14 -0.51 0.00 0.00 176.95 174.99 1ucg s PRO 38 N 1.49 3.75 0.23 4.98 0.02 -1.26 -1.01 135.00 143.20 1ucg s PRO 38 Ca 0.02 2.13 0.11 0.00 0.02 0.00 0.00 61.00 63.28 1ucg s PRO 38 Cb -0.18 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.70 1ucg s PRO 38 CO 0.03 -0.66 -0.20 -0.65 -0.33 0.00 0.00 177.00 175.19 1ucg s GLN 39 N -2.46 1.54 -0.23 5.54 -1.52 0.90 -1.67 119.66 121.77 1ucg s GLN 39 Ca 0.61 -1.64 -0.04 0.00 -1.95 0.00 0.00 55.36 52.34 1ucg s GLN 39 Cb -0.37 -1.65 0.12 0.00 -0.22 0.00 0.00 33.01 30.89 1ucg s GLN 39 CO 0.47 0.32 0.39 -1.14 -0.25 0.00 0.00 175.29 175.08 1ucg s GLN 40 N -3.21 0.34 -1.51 2.91 2.00 0.10 -1.10 119.66 119.19 1ucg s GLN 40 Ca 0.25 0.71 -0.13 0.00 -2.00 0.00 0.00 55.36 54.19 1ucg s GLN 40 Cb -0.05 -0.19 0.08 0.00 0.80 0.00 0.00 33.01 33.64 1ucg s GLN 40 CO 0.11 -0.51 0.93 0.43 -0.50 0.00 0.00 175.29 175.75 1ucg n SER 41 N 5.37 -4.90 0.00 6.67 7.64 -1.26 -1.83 113.62 125.31 1ucg n SER 41 Ca -0.05 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1ucg n SER 41 Cb 0.50 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 1ucg n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ucg n GLY 42 N -1.65 0.93 3.33 0.23 0.00 -1.26 -5.05 105.19 101.72 1ucg n GLY 42 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1ucg n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ucg s THR 43 N -2.97 2.00 0.04 2.61 -4.23 -0.76 -5.11 115.64 107.23 1ucg s THR 43 Ca 0.00 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 58.66 1ucg s THR 43 Cb 0.00 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.03 1ucg s THR 43 CO 0.00 0.12 1.11 -0.44 -0.54 0.00 0.00 174.62 174.87 1ucg s SER 44 N -1.73 7.20 -0.14 3.99 0.01 -1.26 -0.72 113.70 121.05 1ucg s SER 44 Ca 0.11 1.87 -0.25 0.00 1.31 0.00 0.00 55.95 58.98 1ucg s SER 44 Cb -0.10 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1ucg s SER 44 CO 0.04 -0.38 0.82 -0.76 0.41 0.00 0.00 173.24 173.37 1ucg s LEU 45 N 1.00 4.21 0.12 2.44 1.43 -0.67 -4.93 118.68 122.29 1ucg s LEU 45 Ca 0.56 1.21 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1ucg s LEU 45 Cb -0.26 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1ucg s LEU 45 CO 0.29 -0.34 -0.11 0.42 0.23 0.00 0.00 176.35 176.84 1ucg s THR 46 N 1.85 1.09 -1.46 5.49 -4.23 -1.26 -4.65 115.64 112.48 1ucg s THR 46 Ca 0.39 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1ucg s THR 46 Cb -0.17 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 72.10 1ucg s THR 46 CO 0.14 -0.63 0.56 0.59 -0.54 0.00 0.00 174.62 174.75 1ucg n ASN 47 N 0.21 -1.28 -4.75 3.99 3.02 0.23 -4.95 115.26 111.74 1ucg n ASN 47 Ca -0.13 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 53.05 1ucg n ASN 47 Cb 0.59 -3.18 -0.06 0.00 -0.61 0.00 0.00 39.78 36.52 1ucg n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ucg s PRO 49 N -0.91 4.03 0.00 0.00 0.02 -1.26 -4.65 135.00 132.22 1ucg s PRO 49 Ca 0.42 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1ucg s PRO 49 Cb -0.25 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1ucg s PRO 49 CO 0.31 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1ucg n GLY 50 N 0.67 1.47 3.77 0.52 0.00 -1.26 -4.88 105.19 105.47 1ucg n GLY 50 Ca 0.03 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1ucg n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ucg s SER 51 N 1.25 6.70 0.65 1.61 0.01 -1.26 -4.99 113.70 117.67 1ucg s SER 51 Ca 0.00 2.52 -0.16 0.00 1.31 0.00 0.00 55.95 59.62 1ucg s SER 51 Cb 0.00 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ucg s SER 51 CO 0.00 -0.57 1.13 -2.84 0.41 0.00 0.00 173.24 171.37 1ucg s PRO 52 N -1.96 2.76 0.15 12.44 0.02 -1.26 -4.93 135.00 142.22 1ucg s PRO 52 Ca 0.52 1.50 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 1ucg s PRO 52 Cb -0.36 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 1ucg s PRO 52 CO 0.46 -1.30 1.62 0.12 -0.33 0.00 0.00 177.00 177.57 1ucg s PHE 53 N -2.18 2.89 -0.30 6.54 5.36 -1.26 -4.98 117.98 124.05 1ucg s PHE 53 Ca 0.69 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 57.19 1ucg s PHE 53 Cb -0.23 -3.98 0.08 0.00 -0.34 0.00 0.00 43.02 38.55 1ucg s PHE 53 CO 0.40 -3.71 -0.02 0.34 -1.46 0.00 0.00 175.22 170.77 1ucg s ASP 54 N 1.44 4.56 0.50 6.13 -1.08 -1.26 -5.00 116.67 121.96 1ucg s ASP 54 Ca 0.72 -1.78 0.18 0.00 -0.52 0.00 0.00 52.55 51.14 1ucg s ASP 54 Cb -0.44 -1.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.71 1ucg s ASP 54 CO 0.32 -0.30 2.06 -0.29 0.52 0.00 0.00 175.17 177.48 1ucg h ILE 55 N 6.67 0.91 0.00 4.11 6.09 -2.00 -2.09 117.51 131.20 1ucg h ILE 55 Ca -0.11 -0.04 -0.02 0.00 -1.37 0.00 0.00 64.86 63.31 1ucg h ILE 55 Cb 1.03 0.78 -0.00 0.00 0.47 0.00 0.00 36.82 39.09 1ucg h ILE 55 CO 0.49 0.02 -0.11 0.71 -3.07 0.00 0.00 178.15 176.19 1ucg h THR 56 N 0.12 0.46 0.00 2.19 1.35 -2.01 -2.62 112.91 112.40 1ucg h THR 56 Ca 0.14 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1ucg h THR 56 Cb 0.40 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1ucg h THR 56 CO -0.02 0.11 0.00 0.29 -0.25 0.00 0.00 175.52 175.66 1ucg n LYS 57 N -3.49 0.14 -0.14 4.72 4.76 -0.78 -3.24 118.16 120.12 1ucg n LYS 57 Ca -0.01 0.25 0.04 0.00 -2.87 0.00 0.00 58.31 55.72 1ucg n LYS 57 Cb 0.26 -1.71 0.06 0.00 -1.84 0.00 0.00 35.03 31.81 1ucg n LYS 57 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1ucg n ILE 58 N -1.95 1.03 0.06 -0.18 -5.35 -1.01 -4.55 119.36 107.42 1ucg n ILE 58 Ca 0.04 -1.19 0.11 0.00 -0.27 0.00 0.00 62.75 61.44 1ucg n ILE 58 Cb 0.29 0.25 0.57 0.00 -1.74 0.00 0.00 39.64 39.02 1ucg n ILE 58 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1ucg h SER 59 N 0.00 0.19 0.72 7.28 4.64 -1.48 0.10 113.55 124.99 1ucg h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ucg h SER 59 Cb 0.97 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1ucg h SER 59 CO 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1ucg n HIS 60 N -4.48 0.00 0.37 4.77 1.44 -1.26 -2.88 115.22 113.18 1ucg n HIS 60 Ca 0.04 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.82 1ucg n HIS 60 Cb 0.27 -0.49 0.09 0.00 0.12 0.00 0.00 29.99 29.97 1ucg n HIS 60 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1ucg n LEU 61 N -1.49 2.38 -0.22 2.39 4.77 0.01 -4.74 117.00 120.09 1ucg n LEU 61 Ca 0.05 -1.25 0.02 0.00 -0.03 0.00 0.00 56.01 54.81 1ucg n LEU 61 Cb 0.25 -0.07 0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1ucg n LEU 61 CO 0.20 0.49 0.87 1.56 -1.33 0.00 0.00 177.39 179.18 1ucg h GLN 62 N 2.61 0.17 -0.88 3.23 4.20 -1.40 0.70 115.11 123.75 1ucg h GLN 62 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ucg h GLN 62 Cb 0.62 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1ucg h GLN 62 CO 0.00 0.11 0.56 0.66 -0.67 0.00 0.00 178.83 179.50 1ucg h SER 63 N 0.18 1.04 -0.10 1.46 4.64 -1.85 0.21 113.55 119.12 1ucg h SER 63 Ca 0.35 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.44 1ucg h SER 63 Cb 0.58 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1ucg h SER 63 CO -0.52 0.77 -0.63 1.56 -0.87 0.00 0.00 176.83 177.15 1ucg h GLN 64 N 1.21 0.71 -0.22 4.77 4.20 -1.68 -3.00 115.11 121.10 1ucg h GLN 64 Ca 0.32 -0.50 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 1ucg h GLN 64 Cb -0.10 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1ucg h GLN 64 CO -0.07 1.12 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.68 1ucg h LEU 65 N 0.53 0.61 -1.44 1.46 3.38 -0.46 0.37 115.31 119.76 1ucg h LEU 65 Ca -0.01 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1ucg h LEU 65 Cb 1.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ucg h LEU 65 CO 0.13 0.98 -0.23 0.78 0.09 0.00 0.00 178.44 180.18 1ucg h ASN 66 N 0.45 0.00 0.15 -0.43 2.35 -0.58 0.26 115.58 117.78 1ucg h ASN 66 Ca 0.03 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.43 1ucg h ASN 66 Cb 0.98 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.29 1ucg h ASN 66 CO 0.09 0.23 -2.18 0.35 -1.65 0.00 0.00 177.43 174.28 1ucg n THR 67 N -3.65 1.44 -0.05 2.81 -2.24 -1.13 -4.17 114.28 107.29 1ucg n THR 67 Ca -0.01 -0.84 -0.01 0.00 -2.27 0.00 0.00 64.05 60.92 1ucg n THR 67 Cb 0.36 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.82 1ucg n THR 67 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ucg n LEU 68 N -2.83 0.00 -2.45 3.22 4.77 0.11 -4.64 117.00 115.17 1ucg n LEU 68 Ca -0.28 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.50 1ucg n LEU 68 Cb 1.12 0.25 0.02 0.00 -2.33 0.00 0.00 43.42 42.47 1ucg n LEU 68 CO 0.44 0.25 0.10 1.87 -1.33 0.00 0.00 177.39 178.72 1ucg n TRP 69 N -2.43 2.59 -1.81 -1.77 -0.00 0.90 -0.75 117.44 114.16 1ucg n TRP 69 Ca -0.18 -2.75 -0.31 0.00 -0.00 0.00 0.00 57.50 54.26 1ucg n TRP 69 Cb 0.82 -0.22 0.03 0.00 -0.00 0.00 0.00 31.31 31.94 1ucg n TRP 69 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1ucg s PRO 70 N -3.50 3.24 0.39 5.87 0.04 -1.17 -4.76 135.00 135.12 1ucg s PRO 70 Ca 0.42 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.23 1ucg s PRO 70 Cb 0.41 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.81 1ucg s PRO 70 CO -0.08 -0.86 0.90 -0.08 0.04 0.00 0.00 177.00 176.93 1ucg s THR 71 N -2.90 4.43 -0.15 1.26 -1.32 -1.26 -4.88 115.64 110.81 1ucg s THR 71 Ca 0.59 1.43 0.03 0.00 -1.21 0.00 0.00 61.69 62.52 1ucg s THR 71 Cb -0.13 -3.66 -0.11 0.00 -1.51 0.00 0.00 72.50 67.08 1ucg s THR 71 CO 0.49 -0.22 -0.11 0.52 -2.21 0.00 0.00 174.62 173.08 1ucg n VAL 72 N -0.39 0.90 -0.03 5.08 0.31 -1.26 -4.72 118.33 118.22 1ucg n VAL 72 Ca 0.05 -0.37 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 1ucg n VAL 72 Cb 0.53 -1.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.39 1ucg n VAL 72 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ucg n LEU 73 N -2.89 0.00 -4.87 7.52 4.77 -1.26 -3.94 117.00 116.33 1ucg n LEU 73 Ca -0.27 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.42 1ucg n LEU 73 Cb 0.81 0.15 0.10 0.00 -2.33 0.00 0.00 43.42 42.16 1ucg n LEU 73 CO 0.17 0.15 0.77 -0.13 -1.33 0.00 0.00 177.39 177.02 1ucg s ARG 74 N -2.34 1.69 0.09 3.23 0.52 -1.26 -5.00 118.95 115.89 1ucg s ARG 74 Ca -0.04 0.16 -0.32 0.00 -0.52 0.00 0.00 55.73 55.00 1ucg s ARG 74 Cb 0.04 -1.92 -0.14 0.00 0.52 0.00 0.00 34.95 33.45 1ucg s ARG 74 CO 0.36 -1.79 1.51 0.00 0.02 0.00 0.00 175.30 175.40 1ucg h ALA 75 N -1.20 -0.98 -2.64 2.13 0.00 -1.98 -3.46 119.26 111.12 1ucg h ALA 75 Ca -0.47 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.13 1ucg h ALA 75 Cb 1.33 0.86 -0.14 0.00 0.00 0.00 0.00 17.79 19.84 1ucg h ALA 75 CO 0.64 -1.09 -0.51 0.54 0.00 0.00 0.00 179.25 178.83 1ucg s ASN 76 N -4.46 0.10 0.13 0.00 2.20 -1.26 -5.08 114.94 106.57 1ucg s ASN 76 Ca -0.15 -1.29 -0.18 0.00 -0.94 0.00 0.00 52.86 50.30 1ucg s ASN 76 Cb 0.05 0.42 -0.02 0.00 -2.00 0.00 0.00 41.25 39.70 1ucg s ASN 76 CO 0.56 -0.90 1.76 0.78 -2.94 0.00 0.00 177.10 176.35 1ucg h ASN 77 N 2.54 0.39 -1.00 3.54 2.35 -1.92 -2.90 115.58 118.58 1ucg h ASN 77 Ca -0.34 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.42 1ucg h ASN 77 Cb 1.25 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 39.45 1ucg h ASN 77 CO 0.49 0.34 0.64 -0.61 -1.65 0.00 0.00 177.43 176.64 1ucg h GLN 78 N 0.41 1.11 -0.68 0.81 4.15 -1.98 -0.63 115.11 118.31 1ucg h GLN 78 Ca 0.12 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 1ucg h GLN 78 Cb 0.02 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 1ucg h GLN 78 CO -0.02 0.74 0.23 0.37 -1.93 0.00 0.00 178.83 178.21 1ucg h GLN 79 N 1.14 1.03 -0.34 1.69 4.15 -1.95 -1.02 115.11 119.81 1ucg h GLN 79 Ca 0.44 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 1ucg h GLN 79 Cb 0.21 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1ucg h GLN 79 CO -0.18 0.87 -0.10 0.35 -1.93 0.00 0.00 178.83 177.84 1ucg h PHE 80 N 1.00 0.76 -0.58 3.99 3.57 -1.06 -1.02 116.94 123.60 1ucg h PHE 80 Ca 0.22 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1ucg h PHE 80 Cb 0.26 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1ucg h PHE 80 CO 0.02 0.84 0.23 -1.49 -2.23 0.00 0.00 178.31 175.68 1ucg h TRP 81 N 0.46 0.90 -0.60 0.41 6.55 -0.88 -0.49 115.95 122.31 1ucg h TRP 81 Ca 0.09 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1ucg h TRP 81 Cb 0.61 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.61 1ucg h TRP 81 CO 0.05 0.73 0.38 1.03 -1.05 0.00 0.00 178.44 179.58 1ucg h SER 82 N 0.81 0.70 -0.50 -3.49 0.87 -1.08 -0.51 113.55 110.36 1ucg h SER 82 Ca 0.19 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1ucg h SER 82 Cb 0.21 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1ucg h SER 82 CO -0.01 0.53 0.29 -0.74 -0.53 0.00 0.00 176.83 176.36 1ucg h HIS 83 N 0.81 0.66 -0.48 2.24 -0.00 -0.80 -0.67 115.15 116.92 1ucg h HIS 83 Ca 0.22 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.49 1ucg h HIS 83 Cb -0.06 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1ucg h HIS 83 CO -0.03 0.47 -0.05 0.93 -0.00 0.00 0.00 177.93 179.25 1ucg h GLU 84 N 0.66 0.83 -0.02 5.26 4.39 -0.71 -0.06 114.58 124.93 1ucg h GLU 84 Ca 0.18 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ucg h GLU 84 Cb 0.01 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ucg h GLU 84 CO -0.03 0.87 0.00 2.35 -1.16 0.00 0.00 179.01 181.04 1ucg h TRP 85 N 0.76 0.03 -0.34 4.33 2.91 -0.79 -0.57 115.95 122.28 1ucg h TRP 85 Ca 0.14 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.07 1ucg h TRP 85 Cb 0.54 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 1ucg h TRP 85 CO 0.03 0.32 -0.13 1.15 -1.03 0.00 0.00 178.44 178.79 1ucg h THR 86 N -0.27 1.24 0.00 2.65 2.02 -1.02 -0.69 112.91 116.84 1ucg h THR 86 Ca 0.00 -1.09 -0.26 0.00 0.77 0.00 0.00 66.41 65.83 1ucg h THR 86 Cb 0.31 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1ucg h THR 86 CO 0.00 0.36 -1.45 0.50 0.37 0.00 0.00 175.52 175.30 1ucg h LYS 87 N 0.55 0.00 0.00 6.66 3.64 -1.03 -3.38 116.57 123.01 1ucg h LYS 87 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1ucg h LYS 87 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1ucg h LYS 87 CO 0.03 0.67 -0.76 0.72 -2.27 0.00 0.00 179.45 177.84 1ucg n HIS 88 N -3.15 0.00 -0.34 1.91 8.25 -0.29 -0.60 115.22 121.00 1ucg n HIS 88 Ca -0.11 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.41 1ucg n HIS 88 Cb 1.01 0.09 0.24 0.00 1.12 0.00 0.00 29.99 32.46 1ucg n HIS 88 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ucg h GLY 89 N 0.00 1.50 2.00 -1.41 0.00 -0.50 -1.97 103.07 102.70 1ucg h GLY 89 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1ucg h GLY 89 CO 0.00 0.22 -0.03 -0.91 0.00 0.00 0.00 176.54 175.83 1ucg h THR 90 N 1.01 0.53 0.00 4.70 1.35 -1.45 -2.00 112.91 117.06 1ucg h THR 90 Ca 0.45 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1ucg h THR 90 Cb 0.38 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1ucg h THR 90 CO -0.21 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.08 1ucg n SER 92 N -2.19 2.14 0.28 0.00 3.41 -0.76 -4.79 113.62 111.71 1ucg n SER 92 Ca 0.02 -2.67 0.13 0.00 -0.26 0.00 0.00 58.87 56.09 1ucg n SER 92 Cb 0.22 -0.28 0.83 0.00 -0.26 0.00 0.00 64.21 64.72 1ucg n SER 92 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ucg h GLU 93 N 0.00 0.00 -0.76 4.33 4.81 -1.33 -1.39 114.58 120.24 1ucg h GLU 93 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1ucg h GLU 93 Cb 0.85 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 1ucg h GLU 93 CO 0.00 0.03 0.50 0.77 -0.73 0.00 0.00 179.01 179.58 1ucg h SER 94 N 0.00 0.67 0.00 1.04 0.02 -1.87 -3.20 113.55 110.21 1ucg h SER 94 Ca -0.00 0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1ucg h SER 94 Cb 0.07 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 1ucg h SER 94 CO 0.00 0.42 -1.99 0.35 -1.14 0.00 0.00 176.83 174.47 1ucg n THR 95 N -4.49 1.00 -4.01 -2.27 -2.24 -1.01 -4.93 114.28 96.32 1ucg n THR 95 Ca 0.12 -0.60 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 1ucg n THR 95 Cb 0.27 -0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 67.69 1ucg n THR 95 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ucg s PHE 96 N -2.35 2.57 1.00 4.78 0.40 -0.55 -5.07 117.98 118.75 1ucg s PHE 96 Ca -0.08 -1.72 -0.15 0.00 -0.60 0.00 0.00 56.93 54.38 1ucg s PHE 96 Cb 0.04 -1.70 0.19 0.00 0.51 0.00 0.00 43.02 42.06 1ucg s PHE 96 CO 0.58 -0.77 1.16 0.54 0.70 0.00 0.00 175.22 177.43 1ucg s ASN 97 N 1.34 2.75 0.19 1.36 2.20 -1.26 -3.97 114.94 117.55 1ucg s ASN 97 Ca -0.02 0.77 -0.13 0.00 -0.94 0.00 0.00 52.86 52.53 1ucg s ASN 97 Cb -0.17 -1.17 0.21 0.00 -2.00 0.00 0.00 41.25 38.13 1ucg s ASN 97 CO -0.08 -3.01 1.67 -0.61 -2.94 0.00 0.00 177.10 172.13 1ucg h GLN 98 N -1.82 0.09 -0.72 3.55 4.15 -1.95 0.63 115.11 119.04 1ucg h GLN 98 Ca -0.48 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 1ucg h GLN 98 Cb 1.30 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.94 1ucg h GLN 98 CO 0.51 0.06 0.39 0.00 -1.93 0.00 0.00 178.83 177.86 1ucg h ALA 99 N 1.49 0.93 -0.44 3.38 0.00 -1.92 -2.22 119.26 120.48 1ucg h ALA 99 Ca 0.27 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1ucg h ALA 99 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ucg h ALA 99 CO -0.47 0.45 -0.19 0.00 0.00 0.00 0.00 179.25 179.04 1ucg h ALA 100 N 1.20 0.83 -0.01 0.00 0.00 -1.69 -2.00 119.26 117.59 1ucg h ALA 100 Ca 0.25 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ucg h ALA 100 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ucg h ALA 100 CO -0.04 0.64 0.00 -0.92 0.00 0.00 0.00 179.25 178.94 1ucg h TYR 101 N 0.76 0.01 -0.24 0.00 3.20 -0.64 -0.31 116.97 119.75 1ucg h TYR 101 Ca 0.11 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 1ucg h TYR 101 Cb 0.72 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1ucg h TYR 101 CO 0.04 0.08 -0.33 0.74 -1.64 0.00 0.00 178.16 177.06 1ucg h PHE 102 N -0.07 0.57 -0.62 -3.82 -1.00 -1.39 -2.49 116.94 108.12 1ucg h PHE 102 Ca 0.00 -0.14 -0.10 0.00 2.81 0.00 0.00 57.97 60.54 1ucg h PHE 102 Cb 0.08 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1ucg h PHE 102 CO -0.05 0.77 0.01 -0.22 -1.61 0.00 0.00 178.31 177.21 1ucg h LYS 103 N 0.43 1.08 -0.56 1.51 1.63 -1.21 -2.15 116.57 117.29 1ucg h LYS 103 Ca 0.05 -0.34 -0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1ucg h LYS 103 Cb 0.78 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1ucg h LYS 103 CO 0.06 1.04 0.33 1.25 -3.45 0.00 0.00 179.45 178.69 1ucg h LEU 104 N 0.99 0.68 -0.73 5.20 5.85 -0.84 -0.61 115.31 125.84 1ucg h LEU 104 Ca 0.18 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1ucg h LEU 104 Cb 0.55 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1ucg h LEU 104 CO 0.03 0.55 0.33 0.00 -0.34 0.00 0.00 178.44 179.01 1ucg h ALA 105 N 1.16 0.95 -0.50 1.25 0.00 -1.25 -0.07 119.26 120.80 1ucg h ALA 105 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ucg h ALA 105 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1ucg h ALA 105 CO -0.04 0.53 0.17 0.28 0.00 0.00 0.00 179.25 180.20 1ucg h VAL 106 N 1.04 1.22 -0.45 0.00 2.07 -1.06 -1.59 116.25 117.48 1ucg h VAL 106 Ca 0.25 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1ucg h VAL 106 Cb 0.15 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1ucg h VAL 106 CO -0.03 0.27 0.25 0.44 0.02 0.00 0.00 177.57 178.52 1ucg h ASP 107 N 0.68 0.56 -1.00 0.57 3.32 -0.68 -1.51 116.42 118.36 1ucg h ASP 107 Ca 0.16 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1ucg h ASP 107 Cb 0.25 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1ucg h ASP 107 CO -0.01 0.48 0.66 0.24 -1.72 0.00 0.00 179.24 178.89 1ucg h MET 108 N 0.59 1.29 -0.58 3.56 2.86 -0.79 -1.36 114.93 120.50 1ucg h MET 108 Ca 0.16 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1ucg h MET 108 Cb 0.04 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 1ucg h MET 108 CO -0.03 0.85 0.04 -0.09 1.06 0.00 0.00 176.91 178.74 1ucg h ARG 109 N 1.33 1.00 0.00 1.72 9.65 -0.87 -1.03 114.38 126.18 1ucg h ARG 109 Ca 0.37 -0.30 -0.06 0.00 -1.10 0.00 0.00 59.98 58.90 1ucg h ARG 109 Cb -0.11 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 1ucg h ARG 109 CO -0.09 0.97 -0.27 -0.91 2.80 0.00 0.00 179.97 182.47 1ucg h ASN 110 N 0.89 0.00 0.28 -3.80 2.35 -0.73 -3.00 115.58 111.57 1ucg h ASN 110 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1ucg h ASN 110 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1ucg h ASN 110 CO 0.02 0.27 -0.69 0.59 -1.65 0.00 0.00 177.43 175.97 1ucg n ASN 111 N -3.73 0.76 -3.75 5.81 3.02 -0.56 -4.63 115.26 112.19 1ucg n ASN 111 Ca -0.01 -0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 53.65 1ucg n ASN 111 Cb 0.38 0.56 -0.11 0.00 -0.61 0.00 0.00 39.78 40.00 1ucg n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ucg n TYR 112 N -1.44 2.65 -2.89 3.10 9.36 -0.42 -5.04 117.16 122.49 1ucg n TYR 112 Ca 0.05 -4.14 -0.43 0.00 3.32 0.00 0.00 57.90 56.70 1ucg n TYR 112 Cb 0.34 -0.49 -0.04 0.00 -0.63 0.00 0.00 39.34 38.52 1ucg n TYR 112 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ucg s ASP 113 N -1.40 6.27 0.06 2.98 2.15 -1.26 -4.85 116.67 120.61 1ucg s ASP 113 Ca 0.28 -1.24 -0.24 0.00 0.43 0.00 0.00 52.55 51.78 1ucg s ASP 113 Cb 0.00 -2.41 -0.17 0.00 -0.30 0.00 0.00 42.92 40.05 1ucg s ASP 113 CO -0.15 -1.34 1.60 0.40 -0.17 0.00 0.00 175.17 175.50 1ucg h ILE 114 N 5.96 1.10 -0.96 4.11 2.04 -1.96 -2.77 117.51 125.02 1ucg h ILE 114 Ca -0.20 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.37 1ucg h ILE 114 Cb 1.06 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 1ucg h ILE 114 CO 1.17 0.09 0.63 0.40 0.00 0.00 0.00 178.15 180.43 1ucg h ILE 115 N -0.16 1.16 -0.29 -0.67 1.08 -1.99 -1.52 117.51 115.12 1ucg h ILE 115 Ca -0.00 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 1ucg h ILE 115 Cb 0.15 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 1ucg h ILE 115 CO 0.00 0.22 0.09 1.23 -0.69 0.00 0.00 178.15 179.00 1ucg h GLY 116 N 1.21 0.43 2.00 5.37 0.00 -1.95 -0.53 103.07 109.60 1ucg h GLY 116 Ca 0.39 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 1ucg h GLY 116 CO -0.13 0.19 -0.70 0.00 0.00 0.00 0.00 176.54 175.91 1ucg h ALA 117 N 1.70 0.73 0.00 3.60 0.00 -1.02 -3.33 119.26 120.94 1ucg h ALA 117 Ca 0.10 -0.64 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 1ucg h ALA 117 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1ucg h ALA 117 CO -0.01 0.88 -1.65 1.28 0.00 0.00 0.00 179.25 179.75 1ucg n LEU 118 N -3.55 0.81 -0.12 0.00 4.77 -0.83 -4.50 117.00 113.58 1ucg n LEU 118 Ca -0.00 0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1ucg n LEU 118 Cb 0.72 0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.98 1ucg n LEU 118 CO 0.43 0.30 0.76 0.03 -1.33 0.00 0.00 177.39 177.57 1ucg h ARG 119 N 0.00 -0.05 -0.71 3.23 3.08 -1.23 -1.85 114.38 116.85 1ucg h ARG 119 Ca -0.25 0.00 0.19 0.00 0.07 0.00 0.00 59.98 59.99 1ucg h ARG 119 Cb 1.86 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.89 1ucg h ARG 119 CO 0.06 -0.04 0.50 -1.35 -1.07 0.00 0.00 179.97 178.08 1ucg h PRO 120 N -0.06 0.12 -0.52 0.04 0.11 -1.79 0.72 132.00 130.63 1ucg h PRO 120 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ucg h PRO 120 Cb 0.36 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1ucg h PRO 120 CO -0.46 0.08 0.00 0.72 -0.21 0.00 0.00 178.00 178.14 1ucg n HIS 121 N -4.39 0.69 -3.16 0.65 8.25 -0.76 -4.92 115.22 111.59 1ucg n HIS 121 Ca 0.14 -0.35 -0.23 0.00 -0.26 0.00 0.00 57.72 57.03 1ucg n HIS 121 Cb 0.69 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.82 1ucg n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ucg n ALA 122 N 1.09 -1.01 -0.78 -1.41 0.00 0.25 -4.85 120.51 113.79 1ucg n ALA 122 Ca 0.18 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.90 1ucg n ALA 122 Cb 0.47 -3.35 0.28 0.00 0.00 0.00 0.00 19.45 16.85 1ucg n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ucg n ALA 123 N -3.51 3.01 -1.23 0.00 0.00 -0.85 -5.01 120.51 112.93 1ucg n ALA 123 Ca -0.07 -1.93 -0.29 0.00 0.00 0.00 0.00 53.44 51.15 1ucg n ALA 123 Cb 0.59 -0.78 0.17 0.00 0.00 0.00 0.00 19.45 19.43 1ucg n ALA 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ucg s GLY 124 N -1.42 1.57 0.18 0.00 0.00 -1.26 -4.90 107.32 101.49 1ucg s GLY 124 Ca 0.42 -0.39 -0.31 0.00 0.00 0.00 0.00 44.72 44.44 1ucg s GLY 124 CO 0.14 0.22 1.56 2.56 0.00 0.00 0.00 173.10 177.57 1ucg s PRO 125 N -5.02 4.22 0.00 2.90 0.04 -1.26 -4.85 135.00 131.02 1ucg s PRO 125 Ca 0.65 2.37 0.00 0.00 0.04 0.00 0.00 61.00 64.06 1ucg s PRO 125 Cb -0.18 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1ucg s PRO 125 CO 0.57 -0.59 0.43 0.27 0.04 0.00 0.00 177.00 177.72 1ucg n ASN 126 N 3.77 0.00 -0.08 6.66 6.94 -0.71 -5.00 115.26 126.84 1ucg n ASN 126 Ca 0.13 -1.19 -0.01 0.00 -0.02 0.00 0.00 54.58 53.50 1ucg n ASN 126 Cb 0.39 -0.04 -0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1ucg n ASN 126 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ucg n GLY 127 N 0.00 0.43 3.80 4.83 0.00 -1.20 -5.01 105.19 108.03 1ucg n GLY 127 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1ucg n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ucg s ARG 128 N -0.92 2.38 0.27 1.61 3.00 -1.25 -4.72 118.95 119.33 1ucg s ARG 128 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 55.73 53.76 1ucg s ARG 128 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 34.95 32.68 1ucg s ARG 128 CO 0.00 -0.11 1.27 0.99 0.00 0.00 0.00 175.30 177.44 1ucg s THR 129 N -2.52 3.06 0.20 0.02 2.01 -1.26 -1.50 115.64 115.64 1ucg s THR 129 Ca 0.43 0.98 0.06 0.00 0.31 0.00 0.00 61.69 63.48 1ucg s THR 129 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1ucg s THR 129 CO 0.25 0.20 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.73 1ucg s LYS 130 N -1.06 1.28 -0.11 4.92 -0.14 0.54 -4.92 119.74 120.25 1ucg s LYS 130 Ca 0.51 -1.58 -0.03 0.00 -1.36 0.00 0.00 55.97 53.51 1ucg s LYS 130 Cb -0.37 -0.93 -0.03 0.00 -1.68 0.00 0.00 37.83 34.81 1ucg s LYS 130 CO 0.45 0.11 0.01 -1.54 -0.76 0.00 0.00 175.35 173.62 1ucg s SER 131 N -3.29 5.32 0.16 2.83 1.04 -1.26 -2.10 113.70 116.40 1ucg s SER 131 Ca 0.22 0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.62 1ucg s SER 131 Cb 0.01 -1.62 0.07 0.00 0.10 0.00 0.00 66.02 64.58 1ucg s SER 131 CO 0.06 0.33 1.76 -0.09 0.98 0.00 0.00 173.24 176.27 1ucg h ARG 132 N 5.53 0.29 -0.98 4.02 2.43 -1.33 -2.43 114.38 121.90 1ucg h ARG 132 Ca -0.47 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1ucg h ARG 132 Cb 1.19 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 1ucg h ARG 132 CO 0.58 0.19 0.65 -0.56 -1.51 0.00 0.00 179.97 179.32 1ucg h GLN 133 N 0.30 1.28 -0.19 0.20 3.07 -1.93 -1.88 115.11 115.96 1ucg h GLN 133 Ca 0.17 -0.08 -0.05 0.00 0.09 0.00 0.00 58.65 58.79 1ucg h GLN 133 Cb 0.14 -0.29 -0.01 0.00 0.08 0.00 0.00 27.48 27.40 1ucg h GLN 133 CO -0.16 0.85 -0.06 0.00 0.09 0.00 0.00 178.83 179.55 1ucg h ALA 134 N 1.36 0.27 -0.35 0.06 0.00 -1.90 -0.66 119.26 118.04 1ucg h ALA 134 Ca 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ucg h ALA 134 Cb -0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ucg h ALA 134 CO -0.08 0.06 0.18 0.82 0.00 0.00 0.00 179.25 180.23 1ucg h ILE 135 N 0.09 1.15 -0.70 0.00 1.08 -1.31 -0.06 117.51 117.77 1ucg h ILE 135 Ca 0.05 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1ucg h ILE 135 Cb 0.52 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1ucg h ILE 135 CO 0.02 0.16 0.30 0.11 -0.69 0.00 0.00 178.15 178.05 1ucg h LYS 136 N 0.44 1.01 -0.63 2.37 1.57 -1.35 -2.19 116.57 117.79 1ucg h LYS 136 Ca 0.12 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1ucg h LYS 136 Cb 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1ucg h LYS 136 CO -0.02 0.81 0.19 0.78 -0.57 0.00 0.00 179.45 180.64 1ucg h GLY 137 N 1.07 1.07 1.07 3.86 0.00 -0.49 -0.54 103.07 109.10 1ucg h GLY 137 Ca 0.24 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1ucg h GLY 137 CO -0.02 0.60 0.11 0.74 0.00 0.00 0.00 176.54 177.96 1ucg h PHE 138 N 0.92 1.19 -0.25 5.60 0.05 -0.67 -1.47 116.94 122.31 1ucg h PHE 138 Ca 0.20 -0.16 -0.18 0.00 3.82 0.00 0.00 57.97 61.64 1ucg h PHE 138 Cb 0.31 -0.33 -0.00 0.00 2.00 0.00 0.00 35.95 37.93 1ucg h PHE 138 CO 0.02 0.99 -0.58 -0.07 -0.18 0.00 0.00 178.31 178.50 1ucg h LEU 139 N 1.04 0.88 -0.82 1.54 3.38 -1.24 -2.94 115.31 117.15 1ucg h LEU 139 Ca 0.20 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1ucg h LEU 139 Cb 0.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ucg h LEU 139 CO 0.01 1.26 0.25 0.50 0.09 0.00 0.00 178.44 180.55 1ucg h LYS 140 N 0.59 1.12 -0.46 1.13 3.11 -0.97 -0.26 116.57 120.84 1ucg h LYS 140 Ca 0.00 -0.23 -0.04 0.00 -2.81 0.00 0.00 60.65 57.58 1ucg h LYS 140 Cb 1.17 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 32.21 1ucg h LYS 140 CO 0.12 0.94 0.12 0.00 -2.81 0.00 0.00 179.45 177.82 1ucg h ALA 141 N 1.18 1.35 0.05 5.00 0.00 -1.22 0.30 119.26 125.92 1ucg h ALA 141 Ca 0.24 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1ucg h ALA 141 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ucg h ALA 141 CO -0.01 0.47 -0.83 -0.22 0.00 0.00 0.00 179.25 178.66 1ucg h LYS 142 N 0.67 0.11 0.00 0.00 3.64 -1.31 -3.40 116.57 116.28 1ucg h LYS 142 Ca 0.15 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1ucg h LYS 142 Cb 0.24 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1ucg h LYS 142 CO -0.00 1.09 -1.32 1.19 -2.27 0.00 0.00 179.45 178.14 1ucg n PHE 143 N -4.31 0.69 0.00 1.91 3.01 -0.13 -5.00 117.46 113.62 1ucg n PHE 143 Ca -0.20 0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ucg n PHE 143 Cb 0.70 -0.83 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1ucg n PHE 143 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ucg n GLY 144 N 1.21 1.75 3.15 1.37 0.00 0.10 -5.04 105.19 107.74 1ucg n GLY 144 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1ucg n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ucg s LYS 145 N -0.94 0.79 0.19 1.61 -0.14 -1.25 -4.97 119.74 115.03 1ucg s LYS 145 Ca 0.00 -1.24 -0.30 0.00 -1.36 0.00 0.00 55.97 53.07 1ucg s LYS 145 Cb 0.00 -0.23 -0.08 0.00 -1.68 0.00 0.00 37.83 35.84 1ucg s LYS 145 CO 0.00 -0.00 1.05 -0.06 -0.76 0.00 0.00 175.35 175.57 1ucg s PHE 146 N -3.25 3.70 0.66 3.18 0.40 -1.26 -3.98 117.98 117.43 1ucg s PHE 146 Ca 0.08 1.70 -0.01 0.00 -0.60 0.00 0.00 56.93 58.10 1ucg s PHE 146 Cb 0.03 -3.19 0.09 0.00 0.51 0.00 0.00 43.02 40.46 1ucg s PHE 146 CO -0.04 -0.27 0.93 -1.25 0.70 0.00 0.00 175.22 175.28 1ucg s PRO 147 N -0.56 2.03 -0.08 0.24 0.04 -1.26 -0.99 135.00 134.41 1ucg s PRO 147 Ca 0.47 -0.87 -0.00 0.00 0.04 0.00 0.00 61.00 60.64 1ucg s PRO 147 Cb -0.28 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1ucg s PRO 147 CO 0.34 -1.18 -0.06 0.20 0.04 0.00 0.00 177.00 176.34 1ucg s GLY 148 N -4.60 1.70 -0.12 0.56 0.00 0.18 -4.63 107.32 100.42 1ucg s GLY 148 Ca 0.62 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1ucg s GLY 148 CO 0.42 -0.56 -0.12 1.08 0.00 0.00 0.00 173.10 173.92 1ucg s LEU 149 N -0.62 2.83 -0.11 0.66 1.43 -1.26 -0.03 118.68 121.57 1ucg s LEU 149 Ca 0.09 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1ucg s LEU 149 Cb -0.12 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1ucg s LEU 149 CO 0.02 0.21 -0.22 -0.13 0.23 0.00 0.00 176.35 176.46 1ucg s ARG 150 N 0.09 3.08 0.28 1.70 0.52 -0.04 -1.05 118.95 123.53 1ucg s ARG 150 Ca -0.05 -0.85 0.10 0.00 -0.52 0.00 0.00 55.73 54.41 1ucg s ARG 150 Cb -0.14 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 1ucg s ARG 150 CO 0.04 0.13 -0.14 0.00 0.02 0.00 0.00 175.30 175.35 1ucg s ARG 152 N -3.60 0.41 -0.20 0.00 0.52 -0.47 -4.81 118.95 110.81 1ucg s ARG 152 Ca 0.29 -0.24 -0.08 0.00 -0.52 0.00 0.00 55.73 55.19 1ucg s ARG 152 Cb -0.01 -0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 1ucg s ARG 152 CO 0.13 0.10 0.07 0.99 0.02 0.00 0.00 175.30 176.61 1ucg s THR 153 N -0.26 4.73 0.00 0.02 2.01 -1.26 -1.14 115.64 119.74 1ucg s THR 153 Ca 0.01 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1ucg s THR 153 Cb -0.03 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.26 1ucg s THR 153 CO -0.00 0.42 1.66 -0.62 -0.69 0.00 0.00 174.62 175.39 1ucg s ASP 154 N 0.70 6.64 0.37 3.53 3.68 -0.35 -4.89 116.67 126.35 1ucg s ASP 154 Ca 0.04 2.35 0.11 0.00 2.13 0.00 0.00 52.55 57.17 1ucg s ASP 154 Cb -0.13 -2.55 0.87 0.00 -1.45 0.00 0.00 42.92 39.66 1ucg s ASP 154 CO 0.02 -0.91 1.86 -0.65 0.13 0.00 0.00 175.17 175.63 1ucg h PRO 155 N 9.06 0.61 0.04 4.34 0.11 -1.96 0.42 132.00 144.62 1ucg h PRO 155 Ca -0.41 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ucg h PRO 155 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ucg h PRO 155 CO 0.94 0.41 -0.02 1.96 -0.21 0.00 0.00 178.00 181.08 1ucg h GLN 156 N 0.63 -0.05 0.00 1.05 7.50 -1.98 -3.38 115.11 118.88 1ucg h GLN 156 Ca 0.45 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.56 1ucg h GLN 156 Cb 0.81 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 1ucg h GLN 156 CO -0.21 -0.03 -0.21 1.79 -1.50 0.00 0.00 178.83 178.67 1ucg h THR 157 N -0.15 0.45 -0.09 -0.54 1.35 -1.98 -3.46 112.91 108.50 1ucg h THR 157 Ca -0.01 -1.23 -0.04 0.00 -0.55 0.00 0.00 66.41 64.59 1ucg h THR 157 Cb 0.04 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1ucg h THR 157 CO 0.01 0.21 -0.03 0.29 -0.25 0.00 0.00 175.52 175.74 1ucg n LYS 158 N -3.27 -0.72 -2.80 4.72 4.76 0.15 -4.99 118.16 116.00 1ucg n LYS 158 Ca 0.01 0.33 -0.38 0.00 -2.87 0.00 0.00 58.31 55.40 1ucg n LYS 158 Cb 0.49 -3.96 -0.06 0.00 -1.84 0.00 0.00 35.03 29.65 1ucg n LYS 158 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ucg s VAL 159 N -1.77 4.21 -0.17 -0.18 1.01 -1.26 -4.70 120.40 117.54 1ucg s VAL 159 Ca 0.00 1.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.71 1ucg s VAL 159 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1ucg s VAL 159 CO 0.00 0.23 0.18 -0.55 0.00 0.00 0.00 175.10 174.96 1ucg s SER 160 N -1.52 6.31 0.01 3.32 0.15 -1.26 -1.21 113.70 119.51 1ucg s SER 160 Ca 0.47 0.36 0.07 0.00 0.70 0.00 0.00 55.95 57.56 1ucg s SER 160 Cb -0.20 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 1ucg s SER 160 CO 0.25 0.20 -0.23 -0.31 1.20 0.00 0.00 173.24 174.36 1ucg s TYR 161 N 0.10 2.02 0.02 3.44 1.51 -0.30 -0.77 117.35 123.38 1ucg s TYR 161 Ca 0.12 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 1ucg s TYR 161 Cb -0.12 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.43 1ucg s TYR 161 CO 0.01 0.03 1.20 -1.17 -1.11 0.00 0.00 175.55 174.51 1ucg s LEU 162 N -0.84 4.34 -0.02 -1.29 2.96 -0.74 -1.36 118.68 121.73 1ucg s LEU 162 Ca 0.09 1.94 0.01 0.00 -0.22 0.00 0.00 54.13 55.96 1ucg s LEU 162 Cb -0.09 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 1ucg s LEU 162 CO 0.00 -0.51 0.00 1.33 -1.32 0.00 0.00 176.35 175.85 1ucg n VAL 163 N 4.19 0.11 -3.91 1.68 0.24 0.17 -4.82 118.33 115.98 1ucg n VAL 163 Ca 0.10 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 1ucg n VAL 163 Cb 0.46 -0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 31.85 1ucg n VAL 163 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ucg s GLN 164 N -2.04 0.52 -0.08 7.34 -0.21 -0.80 -0.98 119.66 123.41 1ucg s GLN 164 Ca -0.01 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 54.82 1ucg s GLN 164 Cb 0.00 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.23 1ucg s GLN 164 CO 0.06 -0.12 -0.18 0.08 -2.12 0.00 0.00 175.29 173.00 1ucg s VAL 165 N -1.96 1.59 -0.10 1.09 1.01 -0.33 -0.86 120.40 120.83 1ucg s VAL 165 Ca -0.10 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1ucg s VAL 165 Cb -0.05 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1ucg s VAL 165 CO -0.01 0.45 -0.09 -0.69 0.00 0.00 0.00 175.10 174.76 1ucg s VAL 166 N 0.42 3.46 -0.15 2.92 1.01 0.96 -1.43 120.40 127.59 1ucg s VAL 166 Ca -0.15 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1ucg s VAL 166 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1ucg s VAL 166 CO 0.06 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.60 1ucg s ALA 167 N -0.17 2.70 -0.13 5.51 0.00 -0.39 -0.64 121.76 128.63 1ucg s ALA 167 Ca 0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 1ucg s ALA 167 Cb -0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1ucg s ALA 167 CO 0.03 0.15 0.16 0.00 0.00 0.00 0.00 175.76 176.10 1ucg s PHE 169 N -0.67 1.36 1.09 0.00 0.40 -0.37 -0.85 117.98 118.95 1ucg s PHE 169 Ca 0.14 -0.53 -0.17 0.00 -0.60 0.00 0.00 56.93 55.77 1ucg s PHE 169 Cb -0.12 -0.73 0.24 0.00 0.51 0.00 0.00 43.02 42.92 1ucg s PHE 169 CO 0.03 0.12 1.16 0.00 0.70 0.00 0.00 175.22 177.23 1ucg s ALA 170 N -1.91 1.15 -0.18 5.36 0.00 0.08 -0.63 121.76 125.62 1ucg s ALA 170 Ca 0.06 -0.90 0.22 0.00 0.00 0.00 0.00 51.96 51.34 1ucg s ALA 170 Cb -0.06 -2.90 1.21 0.00 0.00 0.00 0.00 23.12 21.37 1ucg s ALA 170 CO 0.03 -3.10 1.69 0.00 0.00 0.00 0.00 175.76 174.37 1ucg n GLN 171 N -4.36 0.15 0.00 0.00 10.64 -1.22 -1.40 117.38 121.18 1ucg n GLN 171 Ca 0.12 0.64 0.14 0.00 -1.83 0.00 0.00 57.00 56.07 1ucg n GLN 171 Cb 0.59 -1.97 0.64 0.00 -0.86 0.00 0.00 30.24 28.63 1ucg n GLN 171 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1ucg n ASP 172 N -2.29 0.07 -0.47 2.61 5.68 -1.26 -4.90 116.55 115.99 1ucg n ASP 172 Ca -0.01 0.18 -0.06 0.00 -0.50 0.00 0.00 54.79 54.40 1ucg n ASP 172 Cb 0.04 -0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 39.64 1ucg n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ucg n GLY 173 N 1.42 0.78 0.00 6.12 0.00 -0.49 -4.77 105.19 108.24 1ucg n GLY 173 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ucg n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ucg n SER 174 N -0.21 1.74 -4.61 1.61 2.88 -1.26 -4.99 113.62 108.78 1ucg n SER 174 Ca -0.06 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 1ucg n SER 174 Cb 0.33 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 1ucg n SER 174 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ucg s THR 175 N -1.37 4.52 0.21 2.46 2.01 -1.26 -4.96 115.64 117.25 1ucg s THR 175 Ca 0.00 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 1ucg s THR 175 Cb 0.00 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 68.04 1ucg s THR 175 CO 0.00 -0.60 1.18 -0.22 -0.69 0.00 0.00 174.62 174.29 1ucg s LEU 176 N 3.64 4.47 0.26 4.42 2.96 -1.26 -0.74 118.68 132.42 1ucg s LEU 176 Ca 0.40 2.25 0.02 0.00 -0.22 0.00 0.00 54.13 56.59 1ucg s LEU 176 Cb -0.11 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1ucg s LEU 176 CO 0.20 -0.33 0.05 0.27 -1.32 0.00 0.00 176.35 175.23 1ucg s ILE 177 N -0.33 0.85 0.29 6.68 -4.36 -0.03 -4.88 121.20 119.42 1ucg s ILE 177 Ca 0.51 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.60 1ucg s ILE 177 Cb -0.33 -2.55 -0.10 0.00 1.25 0.00 0.00 42.46 40.74 1ucg s ILE 177 CO 0.38 -0.13 1.13 -1.81 0.24 0.00 0.00 174.94 174.75 1ucg s ASP 178 N -3.34 7.18 0.34 4.36 1.01 -1.26 -4.10 116.67 120.86 1ucg s ASP 178 Ca 0.34 2.33 -0.09 0.00 0.71 0.00 0.00 52.55 55.85 1ucg s ASP 178 Cb 0.07 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1ucg s ASP 178 CO 0.12 -0.21 0.67 0.00 0.21 0.00 0.00 175.17 175.96 1ucg n THR 180 N -1.02 0.78 -3.72 0.00 -2.24 -1.26 -4.79 114.28 102.02 1ucg n THR 180 Ca 0.01 -0.92 -0.16 0.00 -2.27 0.00 0.00 64.05 60.71 1ucg n THR 180 Cb 0.54 0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.92 1ucg n THR 180 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ucg s ARG 181 N -1.13 0.01 0.25 -0.78 3.52 -1.26 -5.15 118.95 114.42 1ucg s ARG 181 Ca 0.11 0.36 0.11 0.00 -0.13 0.00 0.00 55.73 56.17 1ucg s ARG 181 Cb 0.10 -0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.16 1ucg s ARG 181 CO 0.01 -0.22 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.58 1ucg s ASP 182 N 1.54 3.26 -0.02 -2.12 1.01 -1.26 -4.25 116.67 114.82 1ucg s ASP 182 Ca -0.04 -1.02 0.03 0.00 0.71 0.00 0.00 52.55 52.23 1ucg s ASP 182 Cb -0.12 -0.25 0.05 0.00 1.01 0.00 0.00 42.92 43.61 1ucg s ASP 182 CO -0.04 -0.02 0.99 0.35 0.21 0.00 0.00 175.17 176.65 1ucg n THR 183 N -0.51 1.06 -3.93 -1.27 -2.24 -0.21 -4.98 114.28 102.20 1ucg n THR 183 Ca -0.06 -1.13 -0.32 0.00 -2.27 0.00 0.00 64.05 60.26 1ucg n THR 183 Cb 0.60 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 1ucg n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ucg n GLY 185 N 0.70 -0.42 0.24 0.00 0.00 -1.26 -4.95 105.19 99.50 1ucg n GLY 185 Ca -0.09 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.24 1ucg n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ucg h ALA 186 N -1.45 1.67 -2.74 4.61 0.00 -1.99 -3.41 119.26 115.94 1ucg h ALA 186 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1ucg h ALA 186 Cb 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.59 1ucg h ALA 186 CO 0.00 0.16 -0.72 -0.80 0.00 0.00 0.00 179.25 177.89 1ucg s ASN 187 N -6.81 1.11 0.07 0.00 0.01 -1.26 -1.07 114.94 106.99 1ucg s ASN 187 Ca -0.04 -0.78 -0.26 0.00 -0.71 0.00 0.00 52.86 51.07 1ucg s ASN 187 Cb 0.15 0.05 0.09 0.00 0.41 0.00 0.00 41.25 41.95 1ucg s ASN 187 CO 0.66 -0.31 0.81 0.72 -1.51 0.00 0.00 177.10 177.47 1ucg s PHE 188 N -2.43 -0.37 0.03 2.20 -0.12 -0.89 -4.89 117.98 111.51 1ucg s PHE 188 Ca 0.02 0.18 -0.22 0.00 -0.05 0.00 0.00 56.93 56.86 1ucg s PHE 188 Cb -0.03 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 42.87 1ucg s PHE 188 CO -0.02 -0.69 0.65 0.42 -0.05 0.00 0.00 175.22 175.54 1ucg s ILE 189 N -3.34 4.80 0.00 -4.49 -1.09 0.05 -0.33 121.20 116.80 1ucg s ILE 189 Ca 0.05 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 1ucg s ILE 189 Cb -0.01 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1ucg s ILE 189 CO -0.08 0.42 0.00 0.33 -1.23 0.00 0.00 174.94 174.38