#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 0.37 -3.64 3.17 5.68 -0.24 -4.94 116.55 116.95 1ucg n ASP 2 Ca 0.00 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1ucg n ASP 2 Cb 0.00 0.43 0.01 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.43 -0.01 0.05 -1.12 1.04 -1.23 -3.35 113.70 108.65 1ucg s SER 3 Ca 0.00 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1ucg s SER 3 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1ucg s SER 3 CO 0.00 -0.54 -0.13 -0.36 0.98 0.00 0.00 173.24 173.19 1ucg s PHE 4 N -2.19 1.10 -0.24 5.02 0.40 0.17 -0.43 117.98 121.81 1ucg s PHE 4 Ca 0.24 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1ucg s PHE 4 Cb -0.00 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.90 1ucg s PHE 4 CO 0.01 0.02 -0.03 -1.58 0.70 0.00 0.00 175.22 174.34 1ucg s TRP 5 N -1.11 3.02 -0.44 0.36 0.52 -0.32 -1.30 118.94 119.67 1ucg s TRP 5 Ca -0.02 -1.17 -0.16 0.00 0.02 0.00 0.00 56.10 54.77 1ucg s TRP 5 Cb -0.09 -2.11 0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1ucg s TRP 5 CO 0.02 -0.62 0.38 0.12 0.02 0.00 0.00 176.95 176.87 1ucg s PHE 6 N 1.43 3.22 -0.23 -1.98 5.36 0.22 -0.33 117.98 125.66 1ucg s PHE 6 Ca 0.03 -0.67 -0.09 0.00 -0.96 0.00 0.00 56.93 55.24 1ucg s PHE 6 Cb -0.16 -2.92 -0.04 0.00 -0.34 0.00 0.00 43.02 39.57 1ucg s PHE 6 CO -0.03 -0.72 0.11 0.08 -1.46 0.00 0.00 175.22 173.20 1ucg s VAL 7 N 1.81 4.82 0.04 3.12 1.01 -0.10 -1.06 120.40 130.03 1ucg s VAL 7 Ca 0.07 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1ucg s VAL 7 Cb -0.21 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1ucg s VAL 7 CO 0.09 0.36 -0.14 -1.10 0.00 0.00 0.00 175.10 174.32 1ucg s GLN 8 N 1.16 2.23 0.21 2.72 -0.21 -0.55 -0.39 119.66 124.83 1ucg s GLN 8 Ca 0.05 -0.90 0.11 0.00 0.02 0.00 0.00 55.36 54.65 1ucg s GLN 8 Cb -0.14 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 1ucg s GLN 8 CO 0.04 0.56 -0.22 1.14 -2.12 0.00 0.00 175.29 174.69 1ucg s GLN 9 N -1.52 1.61 -0.51 2.91 -2.07 0.28 -1.27 119.66 119.09 1ucg s GLN 9 Ca 0.16 -1.56 -0.15 0.00 -1.82 0.00 0.00 55.36 51.99 1ucg s GLN 9 Cb -0.11 -1.86 0.11 0.00 -1.09 0.00 0.00 33.01 30.06 1ucg s GLN 9 CO 0.07 0.39 0.45 -0.46 -1.32 0.00 0.00 175.29 174.42 1ucg s TRP 10 N -1.86 3.26 0.25 9.60 -0.00 0.04 -1.85 118.94 128.38 1ucg s TRP 10 Ca 0.23 -1.23 -0.13 0.00 -0.00 0.00 0.00 56.10 54.97 1ucg s TRP 10 Cb -0.07 -3.56 0.33 0.00 -0.00 0.00 0.00 33.47 30.17 1ucg s TRP 10 CO 0.11 -0.94 1.57 -1.35 -0.00 0.00 0.00 176.95 176.34 1ucg h PRO 11 N 8.80 -0.02 -0.61 5.86 0.11 -1.83 -1.89 132.00 142.42 1ucg h PRO 11 Ca -0.29 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.91 1ucg h PRO 11 Cb 1.10 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1ucg h PRO 11 CO 0.97 -0.01 0.25 -1.35 -0.21 0.00 0.00 178.00 177.65 1ucg h PRO 12 N -0.02 0.44 -0.43 1.05 0.11 -1.80 -1.59 132.00 129.76 1ucg h PRO 12 Ca 0.39 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.33 1ucg h PRO 12 Cb 0.63 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1ucg h PRO 12 CO -0.91 0.29 -0.29 0.00 -0.21 0.00 0.00 178.00 176.88 1ucg h ALA 13 N 1.40 0.61 -0.82 -0.75 0.00 -1.69 -2.23 119.26 115.78 1ucg h ALA 13 Ca 0.30 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ucg h ALA 13 Cb 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1ucg h ALA 13 CO -0.28 0.64 0.53 0.28 0.00 0.00 0.00 179.25 180.42 1ucg h VAL 14 N 0.78 1.14 -0.47 0.00 2.07 -0.96 -2.74 116.25 116.07 1ucg h VAL 14 Ca 0.08 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 1ucg h VAL 14 Cb 0.87 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1ucg h VAL 14 CO 0.08 0.19 -0.19 0.00 0.02 0.00 0.00 177.57 177.67 1ucg h SER 16 N 0.81 0.44 -0.15 0.00 4.64 -1.08 0.34 113.55 118.54 1ucg h SER 16 Ca 0.11 0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1ucg h SER 16 Cb 0.76 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.79 1ucg h SER 16 CO 0.06 0.14 0.11 0.49 -0.87 0.00 0.00 176.83 176.76 1ucg n PHE 17 N -4.56 0.47 -2.73 4.77 3.01 -1.19 -3.36 117.46 113.88 1ucg n PHE 17 Ca 0.22 -0.94 -0.09 0.00 1.01 0.00 0.00 57.45 57.64 1ucg n PHE 17 Cb 0.78 -0.47 0.06 0.00 -0.01 0.00 0.00 39.48 39.83 1ucg n PHE 17 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ucg n GLN 18 N 0.60 1.13 0.00 -1.08 1.13 0.12 -4.96 117.38 114.32 1ucg n GLN 18 Ca 0.09 -2.73 0.00 0.00 -1.94 0.00 0.00 57.00 52.42 1ucg n GLN 18 Cb 0.62 -0.90 0.00 0.00 0.11 0.00 0.00 30.24 30.07 1ucg n GLN 18 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ucg n LYS 19 N -0.17 0.01 -3.94 -1.09 5.02 -1.21 -4.52 118.16 112.26 1ucg n LYS 19 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1ucg n LYS 19 Cb 0.81 -1.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.70 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 -1.84 0.16 0.00 4.39 0.15 -1.26 -5.10 113.70 110.20 1ucg s SER 20 Ca 0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1ucg s SER 20 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1ucg s SER 20 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1ucg n GLY 21 N 1.94 -0.26 3.45 9.45 0.00 -1.26 -4.93 105.19 113.58 1ucg n GLY 21 Ca -0.21 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.00 2.98 -0.33 1.61 1.04 -1.26 -5.12 113.70 108.61 1ucg s SER 22 Ca 0.00 -1.18 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 1ucg s SER 22 Cb 0.00 -0.21 0.13 0.00 0.10 0.00 0.00 66.02 66.05 1ucg s SER 22 CO 0.00 -0.30 0.24 0.00 0.98 0.00 0.00 173.24 174.16 1ucg h PRO 24 N 7.47 0.06 -0.75 0.00 0.11 -1.79 -1.68 132.00 135.42 1ucg h PRO 24 Ca -0.02 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 1ucg h PRO 24 Cb 1.01 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 1ucg h PRO 24 CO 0.30 0.04 0.17 0.41 -0.21 0.00 0.00 178.00 178.70 1ucg n GLY 25 N -1.45 3.17 0.27 -0.55 0.00 -0.91 -4.52 105.19 101.19 1ucg n GLY 25 Ca 0.22 -0.83 0.18 0.00 0.00 0.00 0.00 46.02 45.59 1ucg n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ucg h SER 26 N 2.64 0.00 0.22 1.61 4.64 -1.55 -2.72 113.55 118.39 1ucg h SER 26 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1ucg h SER 26 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1ucg h SER 26 CO 0.58 0.00 -0.34 0.61 -0.87 0.00 0.00 176.83 176.81 1ucg n GLY 27 N -0.68 -0.60 3.76 -0.77 0.00 -1.26 -4.55 105.19 101.09 1ucg n GLY 27 Ca -0.01 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1ucg n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ucg s LEU 28 N -2.57 4.49 -0.27 0.99 1.43 -1.03 -4.97 118.68 116.76 1ucg s LEU 28 Ca 0.21 2.39 0.10 0.00 -1.03 0.00 0.00 54.13 55.80 1ucg s LEU 28 Cb 0.19 -3.63 0.46 0.00 0.03 0.00 0.00 46.19 43.24 1ucg s LEU 28 CO 0.56 -0.32 1.19 0.54 0.23 0.00 0.00 176.35 178.54 1ucg n ARG 29 N 1.45 2.97 -3.82 1.70 5.12 -1.26 -4.31 116.66 118.50 1ucg n ARG 29 Ca 0.01 -3.89 -0.09 0.00 -1.93 0.00 0.00 57.85 51.94 1ucg n ARG 29 Cb 0.44 -2.03 -0.07 0.00 -1.16 0.00 0.00 32.46 29.64 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 -4.16 0.12 0.19 0.55 -1.32 -1.26 -5.12 115.64 104.64 1ucg s THR 30 Ca 0.46 -1.08 -0.30 0.00 -1.21 0.00 0.00 61.69 59.56 1ucg s THR 30 Cb 0.39 -1.36 -0.08 0.00 -1.51 0.00 0.00 72.50 69.94 1ucg s THR 30 CO 0.01 -0.54 1.17 -0.36 -2.21 0.00 0.00 174.62 172.69 1ucg s PHE 31 N -3.86 3.46 0.30 9.09 0.40 -1.26 -4.50 117.98 121.60 1ucg s PHE 31 Ca 0.06 1.48 0.11 0.00 -0.60 0.00 0.00 56.93 57.98 1ucg s PHE 31 Cb 0.04 -3.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 1ucg s PHE 31 CO -0.10 -1.05 -0.16 0.95 0.70 0.00 0.00 175.22 175.56 1ucg s THR 32 N -0.19 2.35 0.08 0.64 -4.23 -0.77 -4.92 115.64 108.60 1ucg s THR 32 Ca 0.51 -2.33 -0.31 0.00 -1.18 0.00 0.00 61.69 58.38 1ucg s THR 32 Cb -0.32 -2.40 -0.07 0.00 1.34 0.00 0.00 72.50 71.05 1ucg s THR 32 CO 0.37 -0.35 1.32 -0.63 -0.54 0.00 0.00 174.62 174.80 1ucg s ILE 33 N -2.57 3.62 -0.20 2.99 1.01 -0.12 -0.55 121.20 125.38 1ucg s ILE 33 Ca 0.30 1.14 -0.15 0.00 0.00 0.00 0.00 60.65 61.94 1ucg s ILE 33 Cb -0.02 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.61 1ucg s ILE 33 CO 0.15 0.08 -0.14 1.57 0.00 0.00 0.00 174.94 176.60 1ucg n HIS 34 N 4.14 0.59 -3.61 3.97 -0.00 0.48 -4.73 115.22 116.06 1ucg n HIS 34 Ca 0.11 0.25 0.02 0.00 -0.00 0.00 0.00 57.72 58.11 1ucg n HIS 34 Cb 0.44 -0.86 -0.00 0.00 -0.00 0.00 0.00 29.99 29.57 1ucg n HIS 34 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1ucg s GLY 35 N -4.80 -0.44 -0.28 1.57 0.00 -0.95 -4.98 107.32 97.45 1ucg s GLY 35 Ca -0.26 0.76 -0.01 0.00 0.00 0.00 0.00 44.72 45.21 1ucg s GLY 35 CO 0.42 0.33 -0.03 -2.27 0.00 0.00 0.00 173.10 171.55 1ucg s LEU 36 N -3.02 3.57 -0.29 0.66 2.96 -1.26 -0.93 118.68 120.37 1ucg s LEU 36 Ca 0.15 -1.10 -0.05 0.00 -0.22 0.00 0.00 54.13 52.91 1ucg s LEU 36 Cb 0.06 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1ucg s LEU 36 CO -0.05 -0.20 0.05 0.26 -1.32 0.00 0.00 176.35 175.09 1ucg s TRP 37 N 1.28 3.16 0.41 5.38 0.51 0.55 -4.54 118.94 125.69 1ucg s TRP 37 Ca -0.03 -1.29 -0.27 0.00 -2.12 0.00 0.00 56.10 52.39 1ucg s TRP 37 Cb -0.18 -2.20 -0.09 0.00 -0.81 0.00 0.00 33.47 30.18 1ucg s TRP 37 CO -0.03 -0.67 1.40 -2.14 -0.51 0.00 0.00 176.95 175.01 1ucg s PRO 38 N 1.41 3.94 0.22 4.98 0.02 -1.26 -1.17 135.00 143.15 1ucg s PRO 38 Ca 0.00 2.38 0.10 0.00 0.02 0.00 0.00 61.00 63.50 1ucg s PRO 38 Cb -0.18 -2.81 -0.05 0.00 0.02 0.00 0.00 34.50 31.48 1ucg s PRO 38 CO 0.01 -0.60 -0.18 -0.65 -0.33 0.00 0.00 177.00 175.25 1ucg s GLN 39 N -2.23 1.46 -0.24 5.54 -1.52 0.43 -1.54 119.66 121.55 1ucg s GLN 39 Ca 0.56 -1.60 -0.06 0.00 -1.95 0.00 0.00 55.36 52.32 1ucg s GLN 39 Cb -0.43 -1.47 0.12 0.00 -0.22 0.00 0.00 33.01 31.01 1ucg s GLN 39 CO 0.56 0.28 0.47 -1.14 -0.25 0.00 0.00 175.29 175.21 1ucg s GLN 40 N -3.28 0.40 -1.46 2.91 2.00 0.38 -1.08 119.66 119.53 1ucg s GLN 40 Ca 0.23 1.00 -0.10 0.00 -2.00 0.00 0.00 55.36 54.49 1ucg s GLN 40 Cb -0.04 0.28 0.05 0.00 0.80 0.00 0.00 33.01 34.09 1ucg s GLN 40 CO 0.10 -0.37 0.88 0.43 -0.50 0.00 0.00 175.29 175.82 1ucg n SER 41 N 5.40 -5.29 0.00 6.67 7.64 -1.26 -1.74 113.62 125.03 1ucg n SER 41 Ca -0.07 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1ucg n SER 41 Cb 0.50 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 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 0.68 3.32 0.23 0.00 -1.26 -5.04 105.19 101.46 1ucg n GLY 42 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ucg n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ucg s THR 43 N -2.43 1.80 0.03 2.61 2.01 -0.71 -5.12 115.64 113.82 1ucg s THR 43 Ca 0.00 -1.79 -0.25 0.00 0.31 0.00 0.00 61.69 59.96 1ucg s THR 43 Cb 0.00 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1ucg s THR 43 CO 0.00 -0.22 0.77 -0.44 -0.69 0.00 0.00 174.62 174.04 1ucg s SER 44 N -2.40 7.19 -0.24 3.53 0.01 -1.26 -0.47 113.70 120.07 1ucg s SER 44 Ca 0.13 1.43 -0.21 0.00 1.31 0.00 0.00 55.95 58.60 1ucg s SER 44 Cb -0.07 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1ucg s SER 44 CO 0.06 -0.01 0.66 -0.76 0.41 0.00 0.00 173.24 173.60 1ucg s LEU 45 N 0.09 4.09 0.16 2.44 1.43 -0.59 -4.92 118.68 121.37 1ucg s LEU 45 Ca 0.39 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 1ucg s LEU 45 Cb -0.20 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1ucg s LEU 45 CO 0.23 -0.37 -0.12 0.42 0.23 0.00 0.00 176.35 176.74 1ucg s THR 46 N 2.39 1.34 -1.50 5.49 -4.23 -1.26 -4.64 115.64 113.22 1ucg s THR 46 Ca 0.28 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1ucg s THR 46 Cb -0.16 -1.83 0.07 0.00 1.34 0.00 0.00 72.50 71.92 1ucg s THR 46 CO 0.09 -0.65 0.75 0.59 -0.54 0.00 0.00 174.62 174.85 1ucg n ASN 47 N -0.11 -2.67 -4.77 3.99 3.02 0.31 -4.96 115.26 110.07 1ucg n ASN 47 Ca -0.11 -0.90 -0.38 0.00 -0.03 0.00 0.00 54.58 53.17 1ucg n ASN 47 Cb 0.60 -3.46 -0.06 0.00 -0.61 0.00 0.00 39.78 36.25 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 -1.79 4.34 0.00 0.00 0.02 -1.26 -4.67 135.00 131.64 1ucg s PRO 49 Ca 0.48 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1ucg s PRO 49 Cb -0.23 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1ucg s PRO 49 CO 0.29 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 1ucg n GLY 50 N 1.44 1.44 3.76 0.52 0.00 -1.26 -4.91 105.19 106.18 1ucg n GLY 50 Ca 0.03 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 0.68 6.86 0.65 1.61 0.01 -1.26 -4.99 113.70 117.27 1ucg s SER 51 Ca 0.00 2.58 -0.16 0.00 1.31 0.00 0.00 55.95 59.68 1ucg s SER 51 Cb 0.00 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ucg s SER 51 CO 0.00 -0.49 1.15 -2.84 0.41 0.00 0.00 173.24 171.47 1ucg s PRO 52 N -1.35 2.73 0.21 12.44 0.02 -1.26 -4.94 135.00 142.86 1ucg s PRO 52 Ca 0.50 1.56 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 1ucg s PRO 52 Cb -0.38 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.11 1ucg s PRO 52 CO 0.48 -1.33 1.52 0.12 -0.33 0.00 0.00 177.00 177.46 1ucg s PHE 53 N -2.10 3.01 -0.23 6.54 5.36 -1.26 -4.99 117.98 124.32 1ucg s PHE 53 Ca 0.71 0.80 -0.01 0.00 -0.96 0.00 0.00 56.93 57.46 1ucg s PHE 53 Cb -0.24 -3.90 0.07 0.00 -0.34 0.00 0.00 43.02 38.60 1ucg s PHE 53 CO 0.39 -3.15 0.01 0.34 -1.46 0.00 0.00 175.22 171.35 1ucg s ASP 54 N 0.77 3.45 0.46 6.13 -1.08 -1.26 -5.02 116.67 120.12 1ucg s ASP 54 Ca 0.65 -1.08 0.14 0.00 -0.52 0.00 0.00 52.55 51.74 1ucg s ASP 54 Cb -0.43 -0.88 1.09 0.00 -1.46 0.00 0.00 42.92 41.23 1ucg s ASP 54 CO 0.38 -0.29 2.03 -0.29 0.52 0.00 0.00 175.17 177.52 1ucg h ILE 55 N 6.58 0.94 0.00 4.11 6.09 -1.99 -1.72 117.51 131.52 1ucg h ILE 55 Ca -0.16 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 63.21 1ucg h ILE 55 Cb 1.09 0.61 -0.00 0.00 0.47 0.00 0.00 36.82 38.98 1ucg h ILE 55 CO 0.39 0.06 -0.03 0.71 -3.07 0.00 0.00 178.15 176.20 1ucg h THR 56 N 0.31 0.14 0.00 2.19 1.35 -2.00 -2.09 112.91 112.81 1ucg h THR 56 Ca 0.19 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1ucg h THR 56 Cb 0.36 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1ucg h THR 56 CO -0.04 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.37 1ucg h LYS 57 N 0.00 0.00 0.00 4.72 1.57 -1.75 -3.23 116.57 117.89 1ucg h LYS 57 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ucg h LYS 57 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1ucg h LYS 57 CO 0.00 0.00 -0.22 0.44 -0.57 0.00 0.00 179.45 179.10 1ucg n ILE 58 N -2.48 1.23 0.09 1.86 -5.35 -0.82 -4.58 119.36 109.30 1ucg n ILE 58 Ca 0.03 -1.54 0.14 0.00 -0.27 0.00 0.00 62.75 61.12 1ucg n ILE 58 Cb 0.35 0.04 0.64 0.00 -1.74 0.00 0.00 39.64 38.93 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 0.08 0.06 0.98 7.28 4.64 -1.49 0.16 113.55 125.25 1ucg h SER 59 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ucg h SER 59 Cb 1.16 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ucg h SER 59 CO 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1ucg n HIS 60 N -4.45 0.64 0.77 4.77 1.44 -1.26 -3.02 115.22 114.10 1ucg n HIS 60 Ca 0.05 0.22 0.09 0.00 -2.01 0.00 0.00 57.72 56.07 1ucg n HIS 60 Cb 0.37 -0.86 0.06 0.00 0.12 0.00 0.00 29.99 29.69 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 -2.05 2.40 -0.20 2.39 4.77 0.03 -4.71 117.00 119.62 1ucg n LEU 61 Ca 0.04 -0.96 -0.01 0.00 -0.03 0.00 0.00 56.01 55.05 1ucg n LEU 61 Cb 0.30 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1ucg n LEU 61 CO 0.23 0.42 0.76 1.56 -1.33 0.00 0.00 177.39 179.03 1ucg h GLN 62 N 3.33 0.01 -0.43 3.23 4.20 -1.44 -0.11 115.11 123.91 1ucg h GLN 62 Ca 0.00 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1ucg h GLN 62 Cb 0.74 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1ucg h GLN 62 CO 0.00 0.01 0.25 0.66 -0.67 0.00 0.00 178.83 179.08 1ucg h SER 63 N 0.02 0.39 -0.70 1.46 4.64 -1.85 0.12 113.55 117.64 1ucg h SER 63 Ca 0.29 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 1ucg h SER 63 Cb 0.46 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1ucg h SER 63 CO -0.61 0.28 0.18 1.56 -0.87 0.00 0.00 176.83 177.38 1ucg h GLN 64 N 0.50 1.11 -0.23 4.77 4.20 -1.74 -2.49 115.11 121.22 1ucg h GLN 64 Ca 0.17 -0.26 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 1ucg h GLN 64 Cb 0.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1ucg h GLN 64 CO -0.09 0.97 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.60 1ucg h LEU 65 N 1.04 0.55 -1.26 1.46 3.38 -0.57 0.45 115.31 120.36 1ucg h LEU 65 Ca 0.22 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ucg h LEU 65 Cb 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ucg h LEU 65 CO 0.00 0.88 -0.29 0.78 0.09 0.00 0.00 178.44 179.90 1ucg h ASN 66 N 0.44 0.00 0.16 -0.43 2.35 -0.59 0.32 115.58 117.84 1ucg h ASN 66 Ca 0.04 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.45 1ucg h ASN 66 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1ucg h ASN 66 CO 0.07 0.29 -1.76 0.74 -1.65 0.00 0.00 177.43 175.12 1ucg h THR 67 N 0.00 0.88 0.00 2.81 2.02 -1.10 -3.37 112.91 114.15 1ucg h THR 67 Ca -0.00 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 64.69 1ucg h THR 67 Cb 0.69 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1ucg h THR 67 CO 0.04 0.85 -1.86 0.18 0.37 0.00 0.00 175.52 175.09 1ucg n LEU 68 N -3.62 0.00 -2.50 2.58 4.77 0.12 -4.66 117.00 113.69 1ucg n LEU 68 Ca -0.26 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.52 1ucg n LEU 68 Cb 1.04 0.04 0.01 0.00 -2.33 0.00 0.00 43.42 42.19 1ucg n LEU 68 CO 0.48 0.04 0.09 1.87 -1.33 0.00 0.00 177.39 178.54 1ucg n TRP 69 N -2.18 2.54 -1.89 -1.77 -0.00 0.11 -0.94 117.44 113.31 1ucg n TRP 69 Ca -0.06 -2.86 -0.32 0.00 -0.00 0.00 0.00 57.50 54.27 1ucg n TRP 69 Cb 0.53 -0.21 0.02 0.00 -0.00 0.00 0.00 31.31 31.65 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 -3.44 3.31 0.37 5.87 0.04 -1.19 -4.74 135.00 135.22 1ucg s PRO 70 Ca 0.41 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 1ucg s PRO 70 Cb 0.41 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.83 1ucg s PRO 70 CO -0.09 -0.80 0.78 -0.08 0.04 0.00 0.00 177.00 176.85 1ucg s THR 71 N -2.82 4.69 -0.19 1.26 -1.32 -1.26 -4.85 115.64 111.14 1ucg s THR 71 Ca 0.59 0.89 0.06 0.00 -1.21 0.00 0.00 61.69 62.02 1ucg s THR 71 Cb -0.14 -3.66 -0.16 0.00 -1.51 0.00 0.00 72.50 67.04 1ucg s THR 71 CO 0.46 -0.35 -0.11 0.52 -2.21 0.00 0.00 174.62 172.93 1ucg n VAL 72 N -0.79 1.18 -0.01 5.08 0.31 -1.26 -3.92 118.33 118.92 1ucg n VAL 72 Ca 0.04 -0.53 0.04 0.00 -0.01 0.00 0.00 64.34 63.87 1ucg n VAL 72 Cb 0.54 -1.03 -0.08 0.00 -0.91 0.00 0.00 33.84 32.36 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 -2.95 0.00 -4.91 7.52 4.77 -1.26 -2.15 117.00 118.01 1ucg n LEU 73 Ca -0.34 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.37 1ucg n LEU 73 Cb 0.94 0.02 0.05 0.00 -2.33 0.00 0.00 43.42 42.10 1ucg n LEU 73 CO 0.25 0.02 0.62 -0.13 -1.33 0.00 0.00 177.39 176.83 1ucg s ARG 74 N -2.63 2.61 0.24 3.23 0.52 -1.26 -4.80 118.95 116.86 1ucg s ARG 74 Ca -0.04 0.02 -0.04 0.00 -0.52 0.00 0.00 55.73 55.15 1ucg s ARG 74 Cb 0.06 -2.17 0.42 0.00 0.52 0.00 0.00 34.95 33.79 1ucg s ARG 74 CO 0.40 -1.00 1.77 0.00 0.02 0.00 0.00 175.30 176.49 1ucg h ALA 75 N -0.47 1.12 -2.90 2.13 0.00 -1.98 -3.46 119.26 113.70 1ucg h ALA 75 Ca -0.45 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ucg h ALA 75 Cb 1.28 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1ucg h ALA 75 CO 0.62 -0.05 0.06 0.54 0.00 0.00 0.00 179.25 180.41 1ucg s ASN 76 N -5.48 -0.23 0.20 0.00 2.20 -1.26 -5.07 114.94 105.31 1ucg s ASN 76 Ca -0.12 -0.61 -0.10 0.00 -0.94 0.00 0.00 52.86 51.09 1ucg s ASN 76 Cb 0.20 0.62 0.13 0.00 -2.00 0.00 0.00 41.25 40.20 1ucg s ASN 76 CO 0.77 -1.15 1.81 0.78 -2.94 0.00 0.00 177.10 176.36 1ucg h ASN 77 N 2.15 0.92 -0.88 3.54 2.35 -1.93 -2.88 115.58 118.85 1ucg h ASN 77 Ca -0.25 -0.11 0.07 0.00 -0.55 0.00 0.00 56.30 55.46 1ucg h ASN 77 Cb 1.26 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 1ucg h ASN 77 CO 0.33 0.76 0.57 -0.61 -1.65 0.00 0.00 177.43 176.83 1ucg h GLN 78 N 1.00 0.93 -0.58 0.81 4.15 -1.97 -1.03 115.11 118.42 1ucg h GLN 78 Ca 0.25 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.57 1ucg h GLN 78 Cb 0.06 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1ucg h GLN 78 CO -0.04 0.61 0.17 0.37 -1.93 0.00 0.00 178.83 178.01 1ucg h GLN 79 N 0.96 0.88 -0.26 1.69 4.15 -1.93 -1.31 115.11 119.29 1ucg h GLN 79 Ca 0.39 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 1ucg h GLN 79 Cb 0.26 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1ucg h GLN 79 CO -0.15 0.77 -0.23 0.35 -1.93 0.00 0.00 178.83 177.64 1ucg h PHE 80 N 0.85 0.73 -0.69 3.99 3.57 -1.19 -1.74 116.94 122.47 1ucg h PHE 80 Ca 0.19 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1ucg h PHE 80 Cb 0.27 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1ucg h PHE 80 CO 0.02 0.92 0.31 -1.49 -2.23 0.00 0.00 178.31 175.84 1ucg h TRP 81 N 0.34 1.02 -0.45 0.41 6.55 -1.05 -0.71 115.95 122.05 1ucg h TRP 81 Ca 0.04 -0.06 -0.00 0.00 0.95 0.00 0.00 58.89 59.82 1ucg h TRP 81 Cb 0.78 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 1ucg h TRP 81 CO 0.07 0.77 0.26 1.03 -1.05 0.00 0.00 178.44 179.53 1ucg h SER 82 N 0.97 0.55 -0.48 -3.49 0.87 -1.19 -0.75 113.55 110.03 1ucg h SER 82 Ca 0.24 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1ucg h SER 82 Cb 0.15 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1ucg h SER 82 CO -0.03 0.45 0.30 -0.74 -0.53 0.00 0.00 176.83 176.29 1ucg h HIS 83 N 0.60 0.62 -0.39 2.24 -0.00 -0.94 -0.76 115.15 116.51 1ucg h HIS 83 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.44 1ucg h HIS 83 Cb 0.01 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 1ucg h HIS 83 CO -0.03 0.41 -0.15 0.93 -0.00 0.00 0.00 177.93 179.09 1ucg h GLU 84 N 0.64 0.72 -0.10 5.26 4.39 -0.85 -0.62 114.58 124.02 1ucg h GLU 84 Ca 0.17 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1ucg h GLU 84 Cb -0.03 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1ucg h GLU 84 CO -0.03 0.84 -0.03 2.35 -1.16 0.00 0.00 179.01 180.97 1ucg h TRP 85 N 0.65 0.21 -0.62 4.33 2.91 -0.89 -0.73 115.95 121.82 1ucg h TRP 85 Ca 0.10 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.04 1ucg h TRP 85 Cb 0.63 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.20 1ucg h TRP 85 CO 0.03 0.52 0.24 1.15 -1.03 0.00 0.00 178.44 179.35 1ucg h THR 86 N -0.15 1.23 0.10 2.65 2.02 -1.04 -0.91 112.91 116.81 1ucg h THR 86 Ca 0.02 -0.74 -0.27 0.00 0.77 0.00 0.00 66.41 66.19 1ucg h THR 86 Cb 0.45 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1ucg h THR 86 CO 0.01 0.29 -1.31 0.50 0.37 0.00 0.00 175.52 175.38 1ucg h LYS 87 N 0.87 0.21 0.00 6.66 3.64 -1.16 -3.38 116.57 123.41 1ucg h LYS 87 Ca 0.21 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1ucg h LYS 87 Cb 0.21 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1ucg h LYS 87 CO -0.02 1.12 -0.95 0.72 -2.27 0.00 0.00 179.45 178.06 1ucg n HIS 88 N -3.46 0.00 -0.33 1.91 8.25 -0.35 -0.53 115.22 120.71 1ucg n HIS 88 Ca -0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1ucg n HIS 88 Cb 1.02 0.02 0.21 0.00 1.12 0.00 0.00 29.99 32.36 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 1.73 -1.41 0.00 -0.65 -2.10 103.07 102.13 1ucg h GLY 89 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1ucg h GLY 89 CO 0.00 0.14 0.10 -0.91 0.00 0.00 0.00 176.54 175.88 1ucg h THR 90 N 0.91 0.67 0.00 4.70 1.35 -1.45 -1.64 112.91 117.46 1ucg h THR 90 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 1ucg h THR 90 Cb 0.45 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1ucg h THR 90 CO -0.26 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.01 1ucg n SER 92 N -2.36 2.17 0.24 0.00 3.41 -0.63 -4.79 113.62 111.65 1ucg n SER 92 Ca 0.02 -2.93 0.12 0.00 -0.26 0.00 0.00 58.87 55.82 1ucg n SER 92 Cb 0.23 -0.38 0.75 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.00 4.33 4.81 -1.28 -0.71 114.58 121.72 1ucg h GLU 93 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ucg h GLU 93 Cb 0.99 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1ucg h GLU 93 CO 0.00 0.00 -0.10 0.77 -0.73 0.00 0.00 179.01 178.95 1ucg h SER 94 N 0.00 0.00 0.00 1.04 0.02 -1.87 -3.16 113.55 109.58 1ucg h SER 94 Ca 0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1ucg h SER 94 Cb 0.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1ucg h SER 94 CO -0.00 0.10 -1.52 0.35 -1.14 0.00 0.00 176.83 174.61 1ucg n THR 95 N -3.72 0.27 -3.67 -2.27 -2.24 -0.71 -4.93 114.28 97.02 1ucg n THR 95 Ca -0.02 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 1ucg n THR 95 Cb 0.21 -0.18 -0.17 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.48 0.53 1.10 4.78 0.40 -0.36 -5.05 117.98 116.90 1ucg s PHE 96 Ca -0.04 -0.50 -0.16 0.00 -0.60 0.00 0.00 56.93 55.62 1ucg s PHE 96 Cb 0.05 -0.82 0.24 0.00 0.51 0.00 0.00 43.02 43.00 1ucg s PHE 96 CO 0.39 -0.53 1.14 0.54 0.70 0.00 0.00 175.22 177.45 1ucg s ASN 97 N 2.02 1.86 0.19 1.36 2.20 -1.25 -3.94 114.94 117.38 1ucg s ASN 97 Ca 0.01 0.74 -0.17 0.00 -0.94 0.00 0.00 52.86 52.50 1ucg s ASN 97 Cb -0.16 -1.09 0.15 0.00 -2.00 0.00 0.00 41.25 38.15 1ucg s ASN 97 CO -0.08 -3.56 1.64 -0.61 -2.94 0.00 0.00 177.10 171.55 1ucg h GLN 98 N -2.19 -0.05 -0.77 3.55 4.15 -1.95 0.15 115.11 117.99 1ucg h GLN 98 Ca -0.48 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 1ucg h GLN 98 Cb 1.30 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.97 1ucg h GLN 98 CO 0.43 -0.03 0.38 0.00 -1.93 0.00 0.00 178.83 177.68 1ucg h ALA 99 N 1.38 1.00 -0.26 3.38 0.00 -1.92 -2.32 119.26 120.52 1ucg h ALA 99 Ca 0.24 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1ucg h ALA 99 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ucg h ALA 99 CO -0.54 0.55 -0.32 0.00 0.00 0.00 0.00 179.25 178.94 1ucg h ALA 100 N 1.19 0.96 -0.01 0.00 0.00 -1.63 -1.98 119.26 117.81 1ucg h ALA 100 Ca 0.27 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ucg h ALA 100 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ucg h ALA 100 CO -0.03 0.61 0.00 -0.92 0.00 0.00 0.00 179.25 178.90 1ucg h TYR 101 N 0.47 0.01 -0.24 0.00 3.20 -0.47 -0.21 116.97 119.73 1ucg h TYR 101 Ca 0.06 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1ucg h TYR 101 Cb 0.78 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1ucg h TYR 101 CO 0.03 0.20 -0.35 0.74 -1.64 0.00 0.00 178.16 177.13 1ucg h PHE 102 N -0.18 0.62 -0.57 -3.82 -1.00 -1.40 -2.12 116.94 108.46 1ucg h PHE 102 Ca 0.00 -0.16 -0.09 0.00 2.81 0.00 0.00 57.97 60.53 1ucg h PHE 102 Cb 0.19 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1ucg h PHE 102 CO -0.01 0.82 -0.00 -0.22 -1.61 0.00 0.00 178.31 177.28 1ucg h LYS 103 N 0.45 0.99 -0.49 1.51 1.63 -1.28 -2.09 116.57 117.29 1ucg h LYS 103 Ca 0.05 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 1ucg h LYS 103 Cb 0.83 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 1ucg h LYS 103 CO 0.07 0.97 0.20 1.25 -3.45 0.00 0.00 179.45 178.49 1ucg h LEU 104 N 0.91 0.68 -0.73 5.20 5.85 -0.76 -0.79 115.31 125.67 1ucg h LEU 104 Ca 0.16 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ucg h LEU 104 Cb 0.53 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1ucg h LEU 104 CO 0.03 0.67 0.40 0.00 -0.34 0.00 0.00 178.44 179.19 1ucg h ALA 105 N 1.04 0.93 -0.51 1.25 0.00 -1.20 -0.19 119.26 120.58 1ucg h ALA 105 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ucg h ALA 105 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ucg h ALA 105 CO -0.01 0.45 0.20 0.28 0.00 0.00 0.00 179.25 180.16 1ucg h VAL 106 N 1.00 1.22 -0.80 0.00 2.07 -1.07 -1.34 116.25 117.34 1ucg h VAL 106 Ca 0.26 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1ucg h VAL 106 Cb 0.04 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1ucg h VAL 106 CO -0.04 0.26 0.33 0.44 0.02 0.00 0.00 177.57 178.57 1ucg h ASP 107 N 0.69 1.09 -0.62 0.57 3.32 -0.70 -1.04 116.42 119.72 1ucg h ASP 107 Ca 0.17 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1ucg h ASP 107 Cb 0.21 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1ucg h ASP 107 CO -0.01 0.96 0.20 0.24 -1.72 0.00 0.00 179.24 178.91 1ucg h MET 108 N 1.15 0.96 -0.63 3.56 2.86 -0.75 -2.15 114.93 119.93 1ucg h MET 108 Ca 0.27 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1ucg h MET 108 Cb 0.20 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1ucg h MET 108 CO -0.02 0.84 0.12 -0.09 1.06 0.00 0.00 176.91 178.82 1ucg h ARG 109 N 0.88 1.01 0.00 1.72 9.65 -0.86 -0.88 114.38 125.90 1ucg h ARG 109 Ca 0.20 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1ucg h ARG 109 Cb 0.28 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1ucg h ARG 109 CO -0.01 0.92 -0.01 -0.91 2.80 0.00 0.00 179.97 182.76 1ucg h ASN 110 N 0.96 0.00 -0.19 -3.80 2.35 -0.92 -2.84 115.58 111.13 1ucg h ASN 110 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1ucg h ASN 110 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1ucg h ASN 110 CO 0.01 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 176.39 1ucg n ASN 111 N -3.12 2.77 -3.31 5.81 3.02 -0.80 -4.69 115.26 114.94 1ucg n ASN 111 Ca 0.00 -1.81 -0.25 0.00 -0.03 0.00 0.00 54.58 52.49 1ucg n ASN 111 Cb 0.29 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 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 1.01 0.31 -2.85 3.10 9.36 -0.40 -5.06 117.16 122.63 1ucg n TYR 112 Ca 0.13 -3.63 -0.43 0.00 3.32 0.00 0.00 57.90 57.28 1ucg n TYR 112 Cb 0.46 -0.26 -0.04 0.00 -0.63 0.00 0.00 39.34 38.87 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 -1.12 6.19 0.05 2.98 2.15 -1.26 -4.85 116.67 120.82 1ucg s ASP 113 Ca 0.35 -1.02 -0.23 0.00 0.43 0.00 0.00 52.55 52.07 1ucg s ASP 113 Cb 0.13 -2.42 -0.16 0.00 -0.30 0.00 0.00 42.92 40.17 1ucg s ASP 113 CO -0.12 -1.44 1.55 0.40 -0.17 0.00 0.00 175.17 175.39 1ucg h ILE 114 N 5.98 1.17 -0.84 4.11 2.04 -1.96 -2.58 117.51 125.42 1ucg h ILE 114 Ca -0.27 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1ucg h ILE 114 Cb 1.07 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1ucg h ILE 114 CO 1.18 0.14 0.46 0.40 0.00 0.00 0.00 178.15 180.33 1ucg h ILE 115 N -0.15 1.24 -0.06 -0.67 2.04 -1.99 -1.77 117.51 116.17 1ucg h ILE 115 Ca 0.01 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1ucg h ILE 115 Cb 0.21 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1ucg h ILE 115 CO -0.00 0.27 -0.11 1.23 0.00 0.00 0.00 178.15 179.54 1ucg h GLY 116 N 1.19 0.10 1.85 5.37 0.00 -1.96 -0.67 103.07 108.95 1ucg h GLY 116 Ca 0.30 -0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.46 1ucg h GLY 116 CO -0.05 0.05 -0.65 0.00 0.00 0.00 0.00 176.54 175.90 1ucg h ALA 117 N 1.80 0.66 0.02 3.60 0.00 -0.94 -3.36 119.26 121.05 1ucg h ALA 117 Ca 0.02 -0.51 -0.31 0.00 0.00 0.00 0.00 54.91 54.10 1ucg h ALA 117 Cb 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1ucg h ALA 117 CO 0.02 0.67 -1.82 1.28 0.00 0.00 0.00 179.25 179.39 1ucg n LEU 118 N -3.17 1.17 -0.21 0.00 4.77 -0.76 -4.46 117.00 114.34 1ucg n LEU 118 Ca 0.00 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ucg n LEU 118 Cb 0.75 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.85 1ucg n LEU 118 CO 0.41 0.49 0.75 0.03 -1.33 0.00 0.00 177.39 177.74 1ucg h ARG 119 N 0.01 0.02 -0.01 3.23 2.47 -1.28 -0.84 114.38 117.98 1ucg h ARG 119 Ca -0.33 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1ucg h ARG 119 Cb 2.03 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.35 1ucg h ARG 119 CO 0.07 0.01 0.11 -1.35 0.56 0.00 0.00 179.97 179.37 1ucg h PRO 120 N 0.02 0.00 -0.50 0.04 0.11 -1.78 -0.10 132.00 129.78 1ucg h PRO 120 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1ucg h PRO 120 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1ucg h PRO 120 CO -0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.88 1ucg n HIS 121 N -3.08 0.87 -3.06 0.65 8.25 -0.38 -4.94 115.22 113.54 1ucg n HIS 121 Ca -0.02 -0.57 -0.21 0.00 -0.26 0.00 0.00 57.72 56.66 1ucg n HIS 121 Cb 0.17 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 0.82 -0.97 -0.83 -1.41 0.00 -0.05 -4.84 120.51 113.23 1ucg n ALA 122 Ca 0.19 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.87 1ucg n ALA 122 Cb 0.63 -2.90 0.27 0.00 0.00 0.00 0.00 19.45 17.45 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 -3.25 3.00 -1.32 0.00 0.00 -0.85 -5.01 120.51 113.08 1ucg n ALA 123 Ca -0.08 -2.03 -0.29 0.00 0.00 0.00 0.00 53.44 51.04 1ucg n ALA 123 Cb 0.59 -0.75 0.16 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.56 1.57 0.12 0.00 0.00 -1.25 -4.85 107.32 101.34 1ucg s GLY 124 Ca 0.42 -0.47 -0.31 0.00 0.00 0.00 0.00 44.72 44.35 1ucg s GLY 124 CO 0.12 0.14 1.53 2.56 0.00 0.00 0.00 173.10 177.44 1ucg s PRO 125 N -5.12 4.24 0.00 2.90 0.04 -1.26 -4.86 135.00 130.95 1ucg s PRO 125 Ca 0.65 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.94 1ucg s PRO 125 Cb -0.17 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1ucg s PRO 125 CO 0.56 -0.59 0.68 0.27 0.04 0.00 0.00 177.00 177.96 1ucg n ASN 126 N 4.42 0.00 -0.35 6.66 6.94 -0.77 -5.00 115.26 127.17 1ucg n ASN 126 Ca 0.14 -1.45 -0.05 0.00 -0.02 0.00 0.00 54.58 53.20 1ucg n ASN 126 Cb 0.40 -0.09 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.66 3.74 4.83 0.00 -1.19 -5.01 105.19 108.23 1ucg n GLY 127 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.81 2.21 0.25 1.61 0.52 -1.24 -4.71 118.95 115.78 1ucg s ARG 128 Ca 0.00 -1.90 -0.30 0.00 -0.52 0.00 0.00 55.73 53.02 1ucg s ARG 128 Cb 0.00 -1.95 -0.10 0.00 0.52 0.00 0.00 34.95 33.43 1ucg s ARG 128 CO 0.00 -0.15 1.38 0.99 0.02 0.00 0.00 175.30 177.53 1ucg s THR 129 N -2.63 2.83 0.20 0.02 2.01 -1.26 -1.47 115.64 115.34 1ucg s THR 129 Ca 0.39 0.71 0.09 0.00 0.31 0.00 0.00 61.69 63.19 1ucg s THR 129 Cb 0.04 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 1ucg s THR 129 CO 0.21 0.12 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.56 1ucg s LYS 130 N -0.58 1.36 -0.19 4.92 -0.14 0.11 -4.92 119.74 120.31 1ucg s LYS 130 Ca 0.56 -1.56 -0.10 0.00 -1.36 0.00 0.00 55.97 53.52 1ucg s LYS 130 Cb -0.40 -1.28 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 1ucg s LYS 130 CO 0.44 0.23 0.13 0.45 -0.76 0.00 0.00 175.35 175.84 1ucg s SER 131 N -3.15 6.20 0.11 2.83 0.15 -1.26 -2.23 113.70 116.35 1ucg s SER 131 Ca 0.22 0.25 -0.21 0.00 0.70 0.00 0.00 55.95 56.91 1ucg s SER 131 Cb -0.03 -2.08 -0.08 0.00 -1.71 0.00 0.00 66.02 62.12 1ucg s SER 131 CO 0.08 0.20 1.74 -0.09 1.20 0.00 0.00 173.24 176.38 1ucg h ARG 132 N 6.50 0.11 -0.96 5.44 2.43 -1.32 -1.67 114.38 124.90 1ucg h ARG 132 Ca -0.42 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.79 1ucg h ARG 132 Cb 1.16 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 1ucg h ARG 132 CO 0.74 0.07 0.63 -0.56 -1.51 0.00 0.00 179.97 179.34 1ucg h GLN 133 N 0.11 1.14 -0.12 0.20 3.07 -1.93 -1.51 115.11 116.07 1ucg h GLN 133 Ca 0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1ucg h GLN 133 Cb 0.04 -0.26 -0.00 0.00 0.08 0.00 0.00 27.48 27.34 1ucg h GLN 133 CO -0.07 0.76 -0.06 0.00 0.09 0.00 0.00 178.83 179.55 1ucg h ALA 134 N 1.45 0.17 -0.42 0.06 0.00 -1.87 -0.93 119.26 117.73 1ucg h ALA 134 Ca 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ucg h ALA 134 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ucg h ALA 134 CO -0.14 -0.05 0.23 0.82 0.00 0.00 0.00 179.25 180.11 1ucg h ILE 135 N -0.10 1.15 -0.75 0.00 1.08 -1.11 -0.61 117.51 117.17 1ucg h ILE 135 Ca 0.03 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1ucg h ILE 135 Cb 0.51 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1ucg h ILE 135 CO 0.02 0.16 0.33 0.11 -0.69 0.00 0.00 178.15 178.08 1ucg h LYS 136 N 0.54 1.09 -0.70 2.37 1.57 -1.29 -2.44 116.57 117.71 1ucg h LYS 136 Ca 0.15 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1ucg h LYS 136 Cb 0.05 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1ucg h LYS 136 CO -0.02 0.86 0.31 0.78 -0.57 0.00 0.00 179.45 180.81 1ucg h GLY 137 N 1.12 1.11 1.02 3.86 0.00 -0.53 0.12 103.07 109.77 1ucg h GLY 137 Ca 0.26 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1ucg h GLY 137 CO -0.03 0.54 0.01 0.74 0.00 0.00 0.00 176.54 177.81 1ucg h PHE 138 N 0.99 0.99 -0.33 5.60 0.05 -0.89 -1.59 116.94 121.77 1ucg h PHE 138 Ca 0.24 -0.17 -0.16 0.00 3.82 0.00 0.00 57.97 61.70 1ucg h PHE 138 Cb 0.16 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.85 1ucg h PHE 138 CO 0.01 0.92 -0.43 -0.07 -0.18 0.00 0.00 178.31 178.56 1ucg h LEU 139 N 0.78 0.89 -0.75 1.54 3.38 -1.24 -2.66 115.31 117.25 1ucg h LEU 139 Ca 0.15 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1ucg h LEU 139 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ucg h LEU 139 CO 0.03 1.19 -0.11 0.50 0.09 0.00 0.00 178.44 180.14 1ucg h LYS 140 N 0.67 0.85 -0.41 1.13 3.64 -0.88 -0.21 116.57 121.35 1ucg h LYS 140 Ca 0.05 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1ucg h LYS 140 Cb 1.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1ucg h LYS 140 CO 0.10 0.91 0.05 0.00 -2.27 0.00 0.00 179.45 178.24 1ucg h ALA 141 N 1.11 1.32 0.01 5.00 0.00 -1.20 0.32 119.26 125.82 1ucg h ALA 141 Ca 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ucg h ALA 141 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ucg h ALA 141 CO 0.04 0.47 -0.00 -0.22 0.00 0.00 0.00 179.25 179.54 1ucg h LYS 142 N 0.61 -0.01 0.00 0.00 1.63 -1.16 -3.40 116.57 114.24 1ucg h LYS 142 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1ucg h LYS 142 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1ucg h LYS 142 CO 0.01 0.82 -1.54 1.19 -3.45 0.00 0.00 179.45 176.47 1ucg n PHE 143 N -4.67 0.33 0.00 1.91 3.01 -0.12 -5.02 117.46 112.90 1ucg n PHE 143 Ca -0.09 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1ucg n PHE 143 Cb 0.40 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 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 1.26 2.45 3.24 1.37 0.00 0.11 -5.05 105.19 108.57 1ucg n GLY 144 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.31 1.07 0.17 1.61 -0.14 -1.25 -4.94 119.74 115.96 1ucg s LYS 145 Ca 0.00 -1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 52.82 1ucg s LYS 145 Cb 0.00 -0.41 -0.08 0.00 -1.68 0.00 0.00 37.83 35.66 1ucg s LYS 145 CO 0.00 -0.04 1.15 -0.06 -0.76 0.00 0.00 175.35 175.64 1ucg s PHE 146 N -3.52 3.50 0.69 3.18 0.40 -1.26 -3.98 117.98 116.99 1ucg s PHE 146 Ca 0.20 1.50 -0.03 0.00 -0.60 0.00 0.00 56.93 58.00 1ucg s PHE 146 Cb 0.05 -3.36 0.09 0.00 0.51 0.00 0.00 43.02 40.31 1ucg s PHE 146 CO 0.02 -0.93 0.97 -1.25 0.70 0.00 0.00 175.22 174.72 1ucg s PRO 147 N -0.23 1.95 -0.12 0.24 0.04 -1.26 -1.21 135.00 134.41 1ucg s PRO 147 Ca 0.51 -0.75 -0.01 0.00 0.04 0.00 0.00 61.00 60.79 1ucg s PRO 147 Cb -0.31 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 1ucg s PRO 147 CO 0.36 -1.28 -0.08 0.20 0.04 0.00 0.00 177.00 176.24 1ucg s GLY 148 N -4.61 1.66 -0.16 0.56 0.00 0.23 -4.63 107.32 100.36 1ucg s GLY 148 Ca 0.63 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 44.44 1ucg s GLY 148 CO 0.44 -0.33 -0.03 1.08 0.00 0.00 0.00 173.10 174.26 1ucg s LEU 149 N -0.08 3.25 -0.13 0.66 1.43 -1.26 -0.06 118.68 122.50 1ucg s LEU 149 Ca 0.00 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1ucg s LEU 149 Cb -0.13 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1ucg s LEU 149 CO 0.03 0.15 -0.16 -0.13 0.23 0.00 0.00 176.35 176.48 1ucg s ARG 150 N 0.46 3.27 0.28 1.70 0.52 -0.13 -0.93 118.95 124.13 1ucg s ARG 150 Ca -0.03 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.53 1ucg s ARG 150 Cb -0.14 -2.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 1ucg s ARG 150 CO 0.03 0.15 -0.12 0.00 0.02 0.00 0.00 175.30 175.38 1ucg s ARG 152 N -3.63 0.52 -0.13 0.00 0.52 -0.58 -4.80 118.95 110.85 1ucg s ARG 152 Ca 0.29 -0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.18 1ucg s ARG 152 Cb 0.00 -0.49 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 1ucg s ARG 152 CO 0.13 0.13 0.01 0.99 0.02 0.00 0.00 175.30 176.58 1ucg s THR 153 N -0.26 4.39 -0.16 0.02 2.01 -1.26 -1.10 115.64 119.27 1ucg s THR 153 Ca 0.01 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1ucg s THR 153 Cb -0.03 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1ucg s THR 153 CO -0.00 0.54 1.29 -0.62 -0.69 0.00 0.00 174.62 175.14 1ucg s ASP 154 N -0.27 6.93 0.36 3.53 -1.08 -0.35 -4.92 116.67 120.86 1ucg s ASP 154 Ca 0.06 1.73 0.14 0.00 -0.52 0.00 0.00 52.55 53.96 1ucg s ASP 154 Cb -0.12 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.79 1ucg s ASP 154 CO 0.02 -0.77 1.75 -0.65 0.52 0.00 0.00 175.17 176.04 1ucg h PRO 155 N 8.27 0.48 0.00 4.34 0.11 -1.96 0.32 132.00 143.56 1ucg h PRO 155 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ucg h PRO 155 Cb 1.11 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ucg h PRO 155 CO 0.97 0.32 0.00 1.04 -0.21 0.00 0.00 178.00 180.12 1ucg n GLN 156 N -4.76 0.00 0.25 1.05 3.00 -1.26 -4.34 117.38 111.32 1ucg n GLN 156 Ca 0.26 0.14 0.17 0.00 -0.01 0.00 0.00 57.00 57.56 1ucg n GLN 156 Cb 0.81 -0.68 0.89 0.00 0.00 0.00 0.00 30.24 31.26 1ucg n GLN 156 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 1ucg h THR 157 N 0.00 0.43 -0.18 5.09 1.35 -1.99 -3.45 112.91 114.16 1ucg h THR 157 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.78 1ucg h THR 157 Cb 0.00 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 1ucg h THR 157 CO 0.00 0.00 -0.07 0.29 -0.25 0.00 0.00 175.52 175.49 1ucg n LYS 158 N -3.72 -0.87 -2.91 4.72 4.76 0.11 -4.99 118.16 115.26 1ucg n LYS 158 Ca -0.00 0.48 -0.40 0.00 -2.87 0.00 0.00 58.31 55.51 1ucg n LYS 158 Cb 0.23 -4.28 -0.06 0.00 -1.84 0.00 0.00 35.03 29.08 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 -1.84 4.38 -0.16 -0.18 1.01 -1.25 -4.73 120.40 117.62 1ucg s VAL 159 Ca 0.00 1.80 -0.10 0.00 0.00 0.00 0.00 61.98 63.68 1ucg s VAL 159 Cb 0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1ucg s VAL 159 CO 0.00 0.48 0.17 -0.55 0.00 0.00 0.00 175.10 175.20 1ucg s SER 160 N -0.89 6.33 0.01 3.32 0.15 -1.26 -1.22 113.70 120.14 1ucg s SER 160 Ca 0.38 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.48 1ucg s SER 160 Cb -0.23 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1ucg s SER 160 CO 0.27 0.25 -0.22 -0.31 1.20 0.00 0.00 173.24 174.43 1ucg s TYR 161 N -0.14 1.98 0.08 3.44 1.51 -0.26 -0.61 117.35 123.35 1ucg s TYR 161 Ca 0.12 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.50 1ucg s TYR 161 Cb -0.12 -1.24 -0.06 0.00 -0.11 0.00 0.00 41.96 40.43 1ucg s TYR 161 CO 0.01 0.02 1.21 -1.17 -1.11 0.00 0.00 175.55 174.52 1ucg s LEU 162 N -0.79 4.38 0.00 -1.29 2.96 -0.74 -1.52 118.68 121.67 1ucg s LEU 162 Ca 0.09 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1ucg s LEU 162 Cb -0.09 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1ucg s LEU 162 CO 0.00 -0.47 0.00 1.33 -1.32 0.00 0.00 176.35 175.89 1ucg n VAL 163 N 3.74 0.00 -3.99 1.68 0.24 -0.11 -4.82 118.33 115.07 1ucg n VAL 163 Ca 0.09 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.30 1ucg n VAL 163 Cb 0.46 -0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 31.96 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 -1.95 0.42 -0.08 7.34 -0.21 -0.84 -0.78 119.66 123.56 1ucg s GLN 164 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 54.66 1ucg s GLN 164 Cb 0.00 0.15 0.01 0.00 1.00 0.00 0.00 33.01 34.18 1ucg s GLN 164 CO 0.00 -0.08 -0.14 0.08 -2.12 0.00 0.00 175.29 173.03 1ucg s VAL 165 N -2.12 1.31 -0.11 1.09 1.01 -0.40 -0.95 120.40 120.23 1ucg s VAL 165 Ca -0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1ucg s VAL 165 Cb -0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1ucg s VAL 165 CO -0.03 0.40 -0.04 -0.69 0.00 0.00 0.00 175.10 174.73 1ucg s VAL 166 N 0.71 3.92 -0.14 2.92 1.01 0.92 -1.49 120.40 128.25 1ucg s VAL 166 Ca -0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1ucg s VAL 166 Cb -0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1ucg s VAL 166 CO 0.03 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.58 1ucg s ALA 167 N -0.32 2.69 -0.14 5.51 0.00 -0.23 -0.61 121.76 128.68 1ucg s ALA 167 Ca 0.05 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1ucg s ALA 167 Cb -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1ucg s ALA 167 CO 0.02 0.19 0.13 0.00 0.00 0.00 0.00 175.76 176.10 1ucg s PHE 169 N -0.72 1.47 1.09 0.00 0.40 -0.42 -0.79 117.98 119.01 1ucg s PHE 169 Ca 0.13 -0.53 -0.17 0.00 -0.60 0.00 0.00 56.93 55.77 1ucg s PHE 169 Cb -0.12 -0.77 0.24 0.00 0.51 0.00 0.00 43.02 42.88 1ucg s PHE 169 CO 0.03 0.17 1.15 0.00 0.70 0.00 0.00 175.22 177.26 1ucg s ALA 170 N -1.99 1.10 0.44 5.36 0.00 0.49 -0.66 121.76 126.50 1ucg s ALA 170 Ca 0.09 -0.86 0.39 0.00 0.00 0.00 0.00 51.96 51.58 1ucg s ALA 170 Cb -0.06 -2.92 2.10 0.00 0.00 0.00 0.00 23.12 22.25 1ucg s ALA 170 CO 0.03 -3.11 2.20 -0.56 0.00 0.00 0.00 175.76 174.33 1ucg h GLN 171 N -2.18 0.00 0.00 0.00 3.07 -1.87 -1.31 115.11 112.82 1ucg h GLN 171 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1ucg h GLN 171 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1ucg h GLN 171 CO 0.42 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 178.94 1ucg n ASP 172 N -2.90 0.28 -0.17 0.06 5.68 -1.26 -4.89 116.55 113.33 1ucg n ASP 172 Ca -0.02 0.54 -0.02 0.00 -0.50 0.00 0.00 54.79 54.79 1ucg n ASP 172 Cb 0.08 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 39.44 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 0.84 0.50 0.00 6.12 0.00 -0.49 -4.79 105.19 107.37 1ucg n GLY 173 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ucg n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ucg n SER 174 N -0.09 2.00 -4.58 1.61 3.41 -1.26 -4.99 113.62 109.72 1ucg n SER 174 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1ucg n SER 174 Cb 0.21 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1ucg n SER 174 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ucg s THR 175 N -1.23 4.75 0.23 6.66 2.01 -1.26 -4.97 115.64 121.82 1ucg s THR 175 Ca 0.00 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1ucg s THR 175 Cb 0.00 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1ucg s THR 175 CO 0.00 -0.42 1.16 -0.22 -0.69 0.00 0.00 174.62 174.46 1ucg s LEU 176 N 3.05 4.49 0.26 4.42 2.96 -1.26 -0.38 118.68 132.21 1ucg s LEU 176 Ca 0.31 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.51 1ucg s LEU 176 Cb -0.13 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 1ucg s LEU 176 CO 0.16 -0.29 0.04 0.27 -1.32 0.00 0.00 176.35 175.21 1ucg s ILE 177 N -0.51 0.91 0.30 6.68 -4.36 0.03 -4.86 121.20 119.39 1ucg s ILE 177 Ca 0.49 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 1ucg s ILE 177 Cb -0.33 -2.52 -0.10 0.00 1.25 0.00 0.00 42.46 40.76 1ucg s ILE 177 CO 0.39 -0.16 1.16 -1.81 0.24 0.00 0.00 174.94 174.76 1ucg s ASP 178 N -3.34 7.10 0.32 4.36 1.01 -1.26 -4.12 116.67 120.74 1ucg s ASP 178 Ca 0.33 2.39 -0.09 0.00 0.71 0.00 0.00 52.55 55.89 1ucg s ASP 178 Cb 0.07 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1ucg s ASP 178 CO 0.11 -0.27 0.65 0.00 0.21 0.00 0.00 175.17 175.87 1ucg n THR 180 N -0.85 0.57 -4.02 0.00 -2.24 -1.26 -4.81 114.28 101.67 1ucg n THR 180 Ca 0.01 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 1ucg n THR 180 Cb 0.54 0.74 -0.17 0.00 -2.10 0.00 0.00 70.33 69.34 1ucg n THR 180 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ucg s ARG 181 N -0.57 0.70 0.25 -0.78 0.52 -1.26 -5.14 118.95 112.67 1ucg s ARG 181 Ca 0.00 -0.02 0.11 0.00 -0.52 0.00 0.00 55.73 55.30 1ucg s ARG 181 Cb 0.00 -0.83 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 1ucg s ARG 181 CO 0.00 -0.15 -0.19 -0.51 0.02 0.00 0.00 175.30 174.47 1ucg s ASP 182 N 1.22 3.37 -0.06 0.23 1.01 -1.26 -4.30 116.67 116.88 1ucg s ASP 182 Ca -0.07 -1.00 0.09 0.00 0.71 0.00 0.00 52.55 52.28 1ucg s ASP 182 Cb -0.14 -0.26 0.13 0.00 1.01 0.00 0.00 42.92 43.67 1ucg s ASP 182 CO -0.02 0.01 1.03 0.35 0.21 0.00 0.00 175.17 176.76 1ucg n THR 183 N -0.45 1.26 -4.09 -1.27 -2.24 -0.10 -4.98 114.28 102.40 1ucg n THR 183 Ca -0.07 -1.43 -0.33 0.00 -2.27 0.00 0.00 64.05 59.96 1ucg n THR 183 Cb 0.59 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.07 -0.25 0.27 0.00 0.00 -1.26 -4.96 105.19 100.05 1ucg n GLY 185 Ca -0.12 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.16 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 1.66 -2.86 4.61 0.00 -2.00 -3.42 119.26 115.81 1ucg h ALA 186 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 1ucg h ALA 186 Cb 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 17.50 1ucg h ALA 186 CO 0.00 0.26 -0.74 -0.80 0.00 0.00 0.00 179.25 177.97 1ucg s ASN 187 N -6.84 1.46 0.12 0.00 0.01 -1.26 -1.01 114.94 107.42 1ucg s ASN 187 Ca -0.06 -0.77 -0.25 0.00 -0.71 0.00 0.00 52.86 51.07 1ucg s ASN 187 Cb 0.16 -0.00 0.07 0.00 0.41 0.00 0.00 41.25 41.89 1ucg s ASN 187 CO 0.72 -0.23 0.82 0.72 -1.51 0.00 0.00 177.10 177.62 1ucg s PHE 188 N -2.20 -0.30 -0.01 2.20 -0.12 -0.95 -4.87 117.98 111.73 1ucg s PHE 188 Ca 0.03 0.05 -0.18 0.00 -0.05 0.00 0.00 56.93 56.78 1ucg s PHE 188 Cb -0.04 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.89 1ucg s PHE 188 CO 0.00 -0.81 0.52 0.42 -0.05 0.00 0.00 175.22 175.30 1ucg s ILE 189 N -3.44 4.96 0.00 -4.49 -1.09 0.22 0.09 121.20 117.45 1ucg s ILE 189 Ca 0.07 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1ucg s ILE 189 Cb -0.02 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1ucg s ILE 189 CO -0.04 0.46 0.00 0.33 -1.23 0.00 0.00 174.94 174.46