#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duh s GLU 0 N 0.00 1.61 -0.14 3.23 -1.05 -1.26 -5.02 118.70 116.07 3duh s GLU 0 Ca 0.00 -1.37 0.01 0.00 -0.15 0.00 0.00 54.97 53.46 3duh s GLU 0 Cb 0.00 0.46 0.02 0.00 -0.44 0.00 0.00 34.13 34.16 3duh s GLU 0 CO 0.00 -0.66 -0.17 0.42 0.95 0.00 0.00 175.26 175.80 3duh s ILE 1 N -3.80 1.73 0.13 1.83 1.01 -1.26 -1.40 121.20 119.44 3duh s ILE 1 Ca 0.25 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.20 3duh s ILE 1 Cb -0.00 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3duh s ILE 1 CO 0.11 0.49 -0.12 -1.66 0.00 0.00 0.00 174.94 173.76 3duh s TRP 2 N 1.21 1.29 -0.41 3.97 1.48 -0.95 -4.95 118.94 120.58 3duh s TRP 2 Ca 0.00 -0.66 -0.27 0.00 -1.06 0.00 0.00 56.10 54.12 3duh s TRP 2 Cb -0.14 -0.67 0.02 0.00 -1.16 0.00 0.00 33.47 31.53 3duh s TRP 2 CO -0.07 0.10 0.99 -2.00 -4.06 0.00 0.00 176.95 171.91 3duh s GLU 3 N -3.18 3.75 0.16 3.25 2.12 -1.26 -0.03 118.70 123.52 3duh s GLU 3 Ca 0.12 0.51 -0.05 0.00 0.36 0.00 0.00 54.97 55.92 3duh s GLU 3 Cb -0.01 -3.85 0.02 0.00 0.26 0.00 0.00 34.13 30.54 3duh s GLU 3 CO 0.02 -1.12 1.42 1.25 -0.54 0.00 0.00 175.26 176.29 3duh h LEU 4 N 10.47 0.63 -7.94 2.70 5.85 -1.19 -3.48 115.31 122.35 3duh h LEU 4 Ca -0.23 -0.40 0.22 0.00 0.84 0.00 0.00 57.88 58.31 3duh h LEU 4 Cb 1.07 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3duh h LEU 4 CO 1.03 1.15 0.68 -1.59 -0.34 0.00 0.00 178.44 179.37 3duh s LYS 5 N -3.74 1.03 -0.31 1.25 -2.85 -1.19 -5.03 119.74 108.91 3duh s LYS 5 Ca -0.07 -0.67 -0.38 0.00 -1.00 0.00 0.00 55.97 53.85 3duh s LYS 5 Cb 0.10 0.29 -0.14 0.00 -2.06 0.00 0.00 37.83 36.02 3duh s LYS 5 CO 0.86 -0.48 1.95 1.17 0.10 0.00 0.00 175.35 178.94 3duh n LYS 6 N -0.76 1.13 -1.11 1.78 4.81 -1.26 -1.23 118.16 121.52 3duh n LYS 6 Ca -0.01 0.38 -0.04 0.00 -0.87 0.00 0.00 58.31 57.77 3duh n LYS 6 Cb 0.59 -2.23 -0.02 0.00 0.02 0.00 0.00 35.03 33.39 3duh n LYS 6 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3duh n ASP 7 N 7.26 -4.26 -4.08 3.14 8.00 -1.26 -5.00 116.55 120.34 3duh n ASP 7 Ca 0.34 0.09 -0.30 0.00 0.71 0.00 0.00 54.79 55.63 3duh n ASP 7 Cb 0.17 -2.10 -0.17 0.00 -0.02 0.00 0.00 41.12 39.00 3duh n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3duh s VAL 8 N -1.88 1.68 -0.05 2.53 1.01 -0.37 -0.27 120.40 123.06 3duh s VAL 8 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3duh s VAL 8 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3duh s VAL 8 CO 0.00 0.48 -0.14 -0.31 0.00 0.00 0.00 175.10 175.13 3duh s TYR 9 N 1.06 1.48 -0.32 5.22 2.02 0.33 -0.57 117.35 126.57 3duh s TYR 9 Ca -0.04 -0.46 -0.15 0.00 -0.37 0.00 0.00 57.07 56.05 3duh s TYR 9 Cb -0.15 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 3duh s TYR 9 CO -0.04 -0.19 0.35 0.08 -1.57 0.00 0.00 175.55 174.18 3duh s VAL 10 N 0.28 5.18 -0.36 0.71 1.01 0.96 -1.45 120.40 126.74 3duh s VAL 10 Ca -0.08 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 3duh s VAL 10 Cb -0.12 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 3duh s VAL 10 CO 0.02 -0.02 0.48 -0.69 0.00 0.00 0.00 175.10 174.90 3duh s VAL 11 N 2.01 5.04 0.04 2.92 1.01 0.10 -2.24 120.40 129.28 3duh s VAL 11 Ca 0.12 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 3duh s VAL 11 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3duh s VAL 11 CO 0.11 -0.22 1.08 -1.61 0.00 0.00 0.00 175.10 174.46 3duh s GLU 12 N 2.32 4.51 -0.22 2.72 2.02 -0.49 -1.37 118.70 128.20 3duh s GLU 12 Ca 0.17 1.58 0.01 0.00 0.02 0.00 0.00 54.97 56.75 3duh s GLU 12 Cb -0.16 -3.40 0.05 0.00 0.10 0.00 0.00 34.13 30.72 3duh s GLU 12 CO 0.13 -0.13 -0.08 -0.51 0.02 0.00 0.00 175.26 174.70 3duh s LEU 13 N 0.96 2.42 -0.99 1.80 1.43 0.28 -4.60 118.68 119.98 3duh s LEU 13 Ca 0.55 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 3duh s LEU 13 Cb -0.25 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.80 3duh s LEU 13 CO 0.29 -0.19 1.60 -0.62 0.23 0.00 0.00 176.35 177.65 3duh s ASP 14 N 1.40 6.12 -0.29 2.29 3.68 -1.26 -0.57 116.67 128.04 3duh s ASP 14 Ca -0.04 -1.25 -0.24 0.00 2.13 0.00 0.00 52.55 53.16 3duh s ASP 14 Cb -0.18 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.73 3duh s ASP 14 CO -0.07 -1.86 0.82 0.86 0.13 0.00 0.00 175.17 175.05 3duh s TRP 15 N 6.43 3.22 0.17 -5.34 -0.00 0.12 -4.95 118.94 118.59 3duh s TRP 15 Ca 0.53 0.91 0.09 0.00 -0.00 0.00 0.00 56.10 57.62 3duh s TRP 15 Cb -0.02 -3.22 -0.04 0.00 -0.00 0.00 0.00 33.47 30.19 3duh s TRP 15 CO -0.07 -0.54 -0.18 1.52 -0.00 0.00 0.00 176.95 177.67 3duh s TYR 16 N 2.98 1.84 0.19 5.86 1.13 -1.26 -4.50 117.35 123.60 3duh s TYR 16 Ca 0.34 -0.47 -0.09 0.00 -1.41 0.00 0.00 57.07 55.44 3duh s TYR 16 Cb -0.14 -0.91 0.10 0.00 -1.10 0.00 0.00 41.96 39.90 3duh s TYR 16 CO 0.12 0.34 1.69 -1.00 -2.51 0.00 0.00 175.55 174.19 3duh h PRO 17 N 3.20 1.11 -6.01 -3.49 0.13 -2.02 -3.14 132.00 121.78 3duh h PRO 17 Ca -0.42 -0.30 -0.61 0.00 -0.87 0.00 0.00 66.00 63.80 3duh h PRO 17 Cb 1.21 -0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.10 3duh h PRO 17 CO 0.51 1.02 1.52 -0.51 -0.23 0.00 0.00 178.00 180.31 3duh s ASP 18 N -6.49 6.54 -0.11 1.44 1.01 -1.26 -4.97 116.67 112.84 3duh s ASP 18 Ca -0.12 -1.58 -0.05 0.00 0.71 0.00 0.00 52.55 51.51 3duh s ASP 18 Cb 0.14 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.57 3duh s ASP 18 CO 0.85 -1.45 0.23 0.00 0.21 0.00 0.00 175.17 175.02 3duh s ALA 19 N 4.75 -0.47 0.68 5.23 0.00 -1.19 -5.13 121.76 125.63 3duh s ALA 19 Ca 0.46 0.88 -0.13 0.00 0.00 0.00 0.00 51.96 53.17 3duh s ALA 19 Cb 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.31 3duh s ALA 19 CO -0.08 -0.45 1.08 -1.25 0.00 0.00 0.00 175.76 175.05 3duh s PRO 20 N 1.93 2.84 0.36 0.00 0.04 -1.26 -5.03 135.00 133.88 3duh s PRO 20 Ca -0.03 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 3duh s PRO 20 Cb -0.11 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.54 3duh s PRO 20 CO -0.08 -1.19 0.35 0.41 0.04 0.00 0.00 177.00 176.53 3duh n GLY 21 N -1.23 -2.20 3.67 0.56 0.00 -1.26 -4.93 105.19 99.80 3duh n GLY 21 Ca 0.09 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 3duh n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3duh s GLU 22 N -3.79 3.23 0.28 1.61 0.41 -0.03 -4.84 118.70 115.57 3duh s GLU 22 Ca 0.22 -0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.10 3duh s GLU 22 Cb -0.02 -2.90 -0.10 0.00 -1.78 0.00 0.00 34.13 29.34 3duh s GLU 22 CO 0.17 0.60 1.15 -1.64 -0.49 0.00 0.00 175.26 175.05 3duh s MET 23 N -0.60 4.56 -0.09 1.61 -1.94 -1.26 -0.81 119.30 120.78 3duh s MET 23 Ca 0.10 1.90 0.02 0.00 -1.71 0.00 0.00 55.69 56.00 3duh s MET 23 Cb -0.12 -3.17 0.01 0.00 2.01 0.00 0.00 34.83 33.56 3duh s MET 23 CO 0.02 0.09 -0.14 0.08 -0.01 0.00 0.00 175.02 175.07 3duh s VAL 24 N -1.02 1.32 -0.24 -6.03 1.01 0.14 -4.94 120.40 110.64 3duh s VAL 24 Ca 0.46 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 3duh s VAL 24 Cb -0.34 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3duh s VAL 24 CO 0.43 0.40 0.32 -0.69 0.00 0.00 0.00 175.10 175.56 3duh s VAL 25 N 0.81 5.23 -0.06 2.92 1.01 -1.26 -0.20 120.40 128.86 3duh s VAL 25 Ca -0.11 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3duh s VAL 25 Cb -0.15 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3duh s VAL 25 CO 0.02 0.24 -0.10 -0.76 0.00 0.00 0.00 175.10 174.50 3duh s LEU 26 N 1.57 2.99 -0.09 3.92 1.43 0.01 -4.98 118.68 123.53 3duh s LEU 26 Ca 0.14 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3duh s LEU 26 Cb -0.15 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 3duh s LEU 26 CO 0.08 0.35 -0.19 -0.89 0.23 0.00 0.00 176.35 175.94 3duh s THR 27 N -0.77 2.60 0.23 5.49 2.01 -1.26 -1.25 115.64 122.69 3duh s THR 27 Ca 0.12 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 3duh s THR 27 Cb -0.11 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.29 3duh s THR 27 CO 0.01 0.56 1.24 0.00 -0.69 0.00 0.00 174.62 175.74 3duh n ASP 29 N 2.02 4.61 -3.75 0.00 4.64 -1.26 -4.88 116.55 117.93 3duh n ASP 29 Ca 0.03 -2.94 -0.13 0.00 -1.38 0.00 0.00 54.79 50.37 3duh n ASP 29 Cb 0.43 -1.63 -0.09 0.00 -1.04 0.00 0.00 41.12 38.80 3duh n ASP 29 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3duh s THR 30 N 2.57 0.04 -0.10 5.18 -1.32 -1.26 -4.69 115.64 116.06 3duh s THR 30 Ca 0.46 -0.31 0.30 0.00 -1.21 0.00 0.00 61.69 60.94 3duh s THR 30 Cb 0.08 -0.59 0.35 0.00 -1.51 0.00 0.00 72.50 70.83 3duh s THR 30 CO -0.01 -0.17 1.89 1.55 -2.21 0.00 0.00 174.62 175.66 3duh h PRO 31 N 4.37 0.00 -7.46 7.08 0.13 -2.02 -3.47 132.00 130.63 3duh h PRO 31 Ca -0.29 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.35 3duh h PRO 31 Cb 1.18 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.40 3duh h PRO 31 CO 0.36 0.00 0.39 -1.21 -0.23 0.00 0.00 178.00 177.31 3duh s GLU 32 N -3.53 2.58 0.00 0.86 2.02 -1.26 -5.01 118.70 114.36 3duh s GLU 32 Ca 0.03 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.52 3duh s GLU 32 Cb 0.09 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.33 3duh s GLU 32 CO 0.52 -1.24 0.00 0.39 0.02 0.00 0.00 175.26 174.95 3duh n GLU 33 N -3.15 2.84 -4.01 1.61 1.02 -1.26 -4.86 120.64 112.83 3duh n GLU 33 Ca 0.07 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.85 3duh n GLU 33 Cb 0.57 -0.74 -0.07 0.00 -0.02 0.00 0.00 31.44 31.17 3duh n GLU 33 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3duh s ASP 34 N -1.04 6.02 0.00 1.62 -0.00 -1.26 -4.41 116.67 117.60 3duh s ASP 34 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 52.55 52.89 3duh s ASP 34 Cb 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 42.92 41.01 3duh s ASP 34 CO 0.00 0.37 0.00 0.61 -0.00 0.00 0.00 175.17 176.15 3duh n GLY 35 N 2.23 0.70 3.72 0.21 0.00 -1.26 -5.02 105.19 105.77 3duh n GLY 35 Ca -0.19 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3duh n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3duh s ILE 36 N -2.00 5.18 0.14 -0.61 1.01 -1.26 -4.34 121.20 119.33 3duh s ILE 36 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.84 3duh s ILE 36 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3duh s ILE 36 CO 0.00 0.48 -0.19 0.42 0.00 0.00 0.00 174.94 175.65 3duh s THR 37 N 0.13 1.76 -0.04 2.92 -4.23 -1.11 -0.66 115.64 114.41 3duh s THR 37 Ca 0.07 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3duh s THR 37 Cb -0.12 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 3duh s THR 37 CO -0.00 -0.24 -0.20 0.26 -0.54 0.00 0.00 174.62 173.89 3duh s TRP 38 N -1.79 2.52 0.13 3.99 0.52 0.47 -1.38 118.94 123.41 3duh s TRP 38 Ca 0.12 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.92 3duh s TRP 38 Cb -0.07 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 3duh s TRP 38 CO 0.06 0.03 -0.09 0.95 0.02 0.00 0.00 176.95 177.92 3duh s THR 39 N -0.58 1.01 0.66 2.01 -4.23 -0.43 0.97 115.64 115.05 3duh s THR 39 Ca 0.08 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3duh s THR 39 Cb -0.11 -1.79 0.09 0.00 1.34 0.00 0.00 72.50 72.03 3duh s THR 39 CO 0.00 -0.79 0.91 -0.22 -0.54 0.00 0.00 174.62 173.98 3duh s LEU 40 N -3.12 3.08 -0.19 4.79 2.96 -1.26 -0.70 118.68 124.24 3duh s LEU 40 Ca 0.15 -0.24 -0.37 0.00 -0.22 0.00 0.00 54.13 53.45 3duh s LEU 40 Cb 0.03 -2.30 -0.14 0.00 0.50 0.00 0.00 46.19 44.28 3duh s LEU 40 CO -0.01 -1.58 1.82 -0.90 -1.32 0.00 0.00 176.35 174.35 3duh n ASP 41 N -2.64 2.92 -3.06 3.68 5.68 -0.42 -2.96 116.55 119.75 3duh n ASP 41 Ca 0.12 1.02 -0.16 0.00 -0.50 0.00 0.00 54.79 55.27 3duh n ASP 41 Cb 0.60 -1.26 0.07 0.00 -1.14 0.00 0.00 41.12 39.40 3duh n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3duh n GLN 42 N 6.02 -5.99 -3.85 0.11 1.13 -1.26 -5.01 117.38 108.54 3duh n GLN 42 Ca 0.25 0.71 -0.11 0.00 -1.94 0.00 0.00 57.00 55.90 3duh n GLN 42 Cb 0.21 -5.34 -0.09 0.00 0.11 0.00 0.00 30.24 25.13 3duh n GLN 42 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3duh s SER 43 N -3.83 -0.00 0.00 1.08 0.15 -1.16 -5.04 113.70 104.90 3duh s SER 43 Ca 0.18 -0.20 0.11 0.00 0.70 0.00 0.00 55.95 56.74 3duh s SER 43 Cb -0.08 0.24 0.19 0.00 -1.71 0.00 0.00 66.02 64.67 3duh s SER 43 CO 0.61 -0.43 1.05 -1.54 1.20 0.00 0.00 173.24 174.13 3duh n SER 44 N 1.23 2.41 -4.68 5.45 3.41 -1.26 -4.68 113.62 115.50 3duh n SER 44 Ca -0.22 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 3duh n SER 44 Cb 0.56 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 3duh n SER 44 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3duh s GLU 45 N -0.97 4.32 -0.26 4.33 2.12 -1.26 -4.99 118.70 122.00 3duh s GLU 45 Ca 0.18 1.63 -0.29 0.00 0.36 0.00 0.00 54.97 56.85 3duh s GLU 45 Cb 0.11 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.89 3duh s GLU 45 CO 0.15 -0.51 1.16 0.08 -0.54 0.00 0.00 175.26 175.60 3duh s VAL 46 N 2.55 4.42 -0.54 3.70 1.01 -1.26 -4.42 120.40 125.86 3duh s VAL 46 Ca 0.54 1.67 0.23 0.00 0.00 0.00 0.00 61.98 64.43 3duh s VAL 46 Cb -0.23 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3duh s VAL 46 CO 0.19 -0.34 1.19 -0.07 0.00 0.00 0.00 175.10 176.08 3duh h LEU 47 N 10.04 0.00 0.00 3.92 3.38 0.23 -3.49 115.31 129.39 3duh h LEU 47 Ca -0.23 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3duh h LEU 47 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3duh h LEU 47 CO 1.01 0.10 0.00 0.61 0.09 0.00 0.00 178.44 180.25 3duh n GLY 48 N 1.31 0.84 3.65 0.83 0.00 -1.23 -4.94 105.19 105.64 3duh n GLY 48 Ca 0.02 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 3duh n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3duh s SER 49 N 0.00 4.22 0.02 1.61 0.01 -1.26 -0.39 113.70 117.91 3duh s SER 49 Ca 0.00 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.23 3duh s SER 49 Cb 0.00 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.71 3duh s SER 49 CO 0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95 3duh n GLY 50 N -1.01 -2.06 0.26 3.44 0.00 0.17 -4.61 105.19 101.36 3duh n GLY 50 Ca -0.04 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.63 3duh n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3duh h LYS 51 N -0.06 0.00 -6.52 1.61 3.64 -1.87 -3.43 116.57 109.94 3duh h LYS 51 Ca -0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 3duh h LYS 51 Cb 0.06 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 31.64 3duh h LYS 51 CO 0.00 0.14 -0.81 0.95 -2.27 0.00 0.00 179.45 177.46 3duh s THR 52 N -4.16 2.72 -0.10 1.00 -4.23 -1.26 -0.97 115.64 108.65 3duh s THR 52 Ca -0.03 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.46 3duh s THR 52 Cb 0.13 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.89 3duh s THR 52 CO 0.60 0.45 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.75 3duh s LEU 53 N -1.10 1.75 -0.31 4.79 2.96 -0.38 -4.81 118.68 121.58 3duh s LEU 53 Ca 0.13 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 3duh s LEU 53 Cb -0.10 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.52 3duh s LEU 53 CO 0.03 0.04 0.13 -0.89 -1.32 0.00 0.00 176.35 174.34 3duh s THR 54 N 0.82 4.38 0.07 3.68 2.01 -1.26 -0.81 115.64 124.53 3duh s THR 54 Ca -0.10 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.43 3duh s THR 54 Cb -0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 3duh s THR 54 CO 0.01 0.04 -0.25 0.27 -0.69 0.00 0.00 174.62 174.00 3duh s ILE 55 N 1.57 2.30 -0.21 1.82 -4.36 0.72 -4.94 121.20 118.11 3duh s ILE 55 Ca 0.04 -1.47 -0.12 0.00 -0.26 0.00 0.00 60.65 58.84 3duh s ILE 55 Cb -0.17 -1.95 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 3duh s ILE 55 CO 0.05 0.27 0.20 -1.58 0.24 0.00 0.00 174.94 174.12 3duh s GLN 56 N -1.54 4.16 -0.17 0.37 0.74 -1.26 0.23 119.66 122.19 3duh s GLN 56 Ca 0.13 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.42 3duh s GLN 56 Cb -0.10 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.56 3duh s GLN 56 CO 0.04 0.17 -0.16 0.08 -0.55 0.00 0.00 175.29 174.88 3duh s VAL 57 N 0.72 1.74 0.00 1.34 1.01 0.01 -4.91 120.40 120.31 3duh s VAL 57 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3duh s VAL 57 Cb -0.13 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3duh s VAL 57 CO 0.02 0.45 0.00 2.29 0.00 0.00 0.00 175.10 177.86 3duh n LYS 58 N 4.71 3.32 -4.18 2.72 2.85 -1.26 -0.85 118.16 125.47 3duh n LYS 58 Ca -0.18 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.97 3duh n LYS 58 Cb 0.49 -0.41 -0.10 0.00 -0.65 0.00 0.00 35.03 34.36 3duh n LYS 58 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3duh s GLU 59 N -0.41 0.94 0.48 -1.58 8.01 -1.26 -5.02 118.70 119.87 3duh s GLU 59 Ca 0.00 -1.43 0.17 0.00 0.01 0.00 0.00 54.97 53.72 3duh s GLU 59 Cb 0.00 -0.00 1.18 0.00 -4.31 0.00 0.00 34.13 30.99 3duh s GLU 59 CO 0.00 -0.17 2.03 0.74 0.01 0.00 0.00 175.26 177.87 3duh h PHE 60 N 2.85 0.22 0.00 1.61 0.04 -1.97 0.41 116.94 120.10 3duh h PHE 60 Ca -0.36 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.42 3duh h PHE 60 Cb 1.19 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.27 3duh h PHE 60 CO 0.50 0.11 0.00 0.41 -0.60 0.00 0.00 178.31 178.73 3duh n GLY 61 N -1.56 -0.86 0.05 -1.45 0.00 -1.26 -1.61 105.19 98.51 3duh n GLY 61 Ca 0.06 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3duh n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3duh n ASP 62 N -1.98 0.63 -3.21 1.61 8.00 0.14 -4.93 116.55 116.81 3duh n ASP 62 Ca 0.00 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 3duh n ASP 62 Cb 0.07 0.69 0.10 0.00 -0.02 0.00 0.00 41.12 41.97 3duh n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3duh n ALA 63 N -1.91 -0.60 0.00 2.24 0.00 -0.63 -4.95 120.51 114.67 3duh n ALA 63 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3duh n ALA 63 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3duh n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duh n GLY 64 N 0.14 0.89 3.43 0.00 0.00 -0.75 -4.94 105.19 103.96 3duh n GLY 64 Ca 0.10 -2.25 -0.44 0.00 0.00 0.00 0.00 46.02 43.43 3duh n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3duh s GLN 65 N -0.97 3.10 -0.00 1.61 0.74 -1.26 -1.02 119.66 121.85 3duh s GLN 65 Ca 0.00 -0.96 -0.29 0.00 0.05 0.00 0.00 55.36 54.16 3duh s GLN 65 Cb 0.00 -4.23 -0.03 0.00 1.10 0.00 0.00 33.01 29.85 3duh s GLN 65 CO 0.00 -1.68 0.94 0.71 -0.55 0.00 0.00 175.29 174.71 3duh s TYR 66 N 3.54 3.66 -0.05 1.67 1.51 0.19 -1.30 117.35 126.58 3duh s TYR 66 Ca 0.19 1.65 0.06 0.00 -1.01 0.00 0.00 57.07 57.95 3duh s TYR 66 Cb -0.19 -3.08 -0.01 0.00 -0.11 0.00 0.00 41.96 38.57 3duh s TYR 66 CO 0.09 0.01 -0.22 0.99 -1.11 0.00 0.00 175.55 175.32 3duh s THR 67 N 0.93 1.81 0.08 -0.71 2.01 0.12 -0.11 115.64 119.77 3duh s THR 67 Ca 0.50 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3duh s THR 67 Cb -0.21 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3duh s THR 67 CO 0.27 0.51 0.03 0.00 -0.69 0.00 0.00 174.62 174.73 3duh s HIS 69 N -1.32 1.06 -0.19 0.00 3.76 -0.48 0.12 115.29 118.25 3duh s HIS 69 Ca 0.26 -0.66 -0.10 0.00 -0.15 0.00 0.00 55.06 54.41 3duh s HIS 69 Cb -0.12 -0.58 0.06 0.00 1.11 0.00 0.00 32.58 33.06 3duh s HIS 69 CO 0.19 -0.00 0.45 0.21 -0.85 0.00 0.00 174.74 174.73 3duh s LYS 70 N -2.80 0.43 -1.61 1.40 2.36 -0.24 -2.74 119.74 116.53 3duh s LYS 70 Ca 0.05 0.86 -0.02 0.00 -2.55 0.00 0.00 55.97 54.31 3duh s LYS 70 Cb -0.03 0.01 0.01 0.00 -1.05 0.00 0.00 37.83 36.77 3duh s LYS 70 CO -0.00 -0.16 0.28 0.41 1.55 0.00 0.00 175.35 177.42 3duh n GLY 71 N 4.32 -0.51 1.53 5.54 0.00 -1.26 -1.59 105.19 113.22 3duh n GLY 71 Ca -0.22 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3duh n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duh n GLY 72 N -1.22 1.07 3.56 -0.02 0.00 -1.26 -5.05 105.19 102.27 3duh n GLY 72 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3duh n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3duh s GLU 73 N -0.49 2.99 0.08 1.61 2.12 -0.62 -5.07 118.70 119.31 3duh s GLU 73 Ca 0.00 -0.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 3duh s GLU 73 Cb 0.00 -2.67 -0.07 0.00 0.26 0.00 0.00 34.13 31.65 3duh s GLU 73 CO 0.00 0.55 1.46 0.08 -0.54 0.00 0.00 175.26 176.81 3duh s VAL 74 N -0.50 3.31 -0.21 3.70 1.01 -1.26 -1.08 120.40 125.36 3duh s VAL 74 Ca 0.07 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 3duh s VAL 74 Cb -0.12 -3.54 -0.18 0.00 0.00 0.00 0.00 36.38 32.54 3duh s VAL 74 CO 0.02 0.03 0.12 0.18 0.00 0.00 0.00 175.10 175.46 3duh n LEU 75 N 4.70 1.87 -3.68 3.92 4.77 0.12 -4.93 117.00 123.77 3duh n LEU 75 Ca 0.13 0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 56.42 3duh n LEU 75 Cb 0.42 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 3duh n LEU 75 CO 0.60 0.28 0.11 -0.94 -1.33 0.00 0.00 177.39 176.11 3duh s SER 76 N -6.88 -0.19 -0.13 -1.43 1.04 -1.22 -4.82 113.70 100.06 3duh s SER 76 Ca -0.30 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 3duh s SER 76 Cb 0.07 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 3duh s SER 76 CO 0.56 -0.76 -0.09 -1.00 0.98 0.00 0.00 173.24 172.93 3duh s HIS 77 N -3.30 2.89 -0.31 5.02 3.76 -1.26 -2.14 115.29 119.94 3duh s HIS 77 Ca 0.00 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 3duh s HIS 77 Cb 0.01 -1.87 0.09 0.00 1.11 0.00 0.00 32.58 31.92 3duh s HIS 77 CO -0.08 -0.11 0.05 -1.12 -0.85 0.00 0.00 174.74 172.63 3duh s SER 78 N 0.26 4.39 -0.22 1.40 0.01 0.84 -4.68 113.70 115.69 3duh s SER 78 Ca -0.07 -1.83 -0.25 0.00 1.31 0.00 0.00 55.95 55.12 3duh s SER 78 Cb -0.15 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.77 3duh s SER 78 CO 0.04 -0.37 0.83 -0.22 0.41 0.00 0.00 173.24 173.94 3duh s LEU 79 N 1.22 4.11 -0.25 2.44 2.96 0.63 -0.64 118.68 129.15 3duh s LEU 79 Ca 0.08 1.09 -0.09 0.00 -0.22 0.00 0.00 54.13 54.98 3duh s LEU 79 Cb -0.18 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 3duh s LEU 79 CO -0.13 -0.48 0.12 -0.76 -1.32 0.00 0.00 176.35 173.78 3duh s LEU 80 N 2.62 3.77 0.07 -0.68 1.43 -0.19 -0.51 118.68 125.19 3duh s LEU 80 Ca 0.36 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 3duh s LEU 80 Cb -0.16 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3duh s LEU 80 CO 0.09 -0.00 0.01 -0.76 0.23 0.00 0.00 176.35 175.92 3duh s LEU 81 N 1.45 3.53 -0.19 1.79 1.43 -0.53 -1.81 118.68 124.36 3duh s LEU 81 Ca 0.06 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3duh s LEU 81 Cb -0.15 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3duh s LEU 81 CO 0.06 0.20 0.00 -0.76 0.23 0.00 0.00 176.35 176.08 3duh s LEU 82 N -2.15 3.33 -0.45 1.79 1.43 0.02 -0.72 118.68 121.92 3duh s LEU 82 Ca 0.25 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 3duh s LEU 82 Cb -0.12 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.35 3duh s LEU 82 CO 0.17 0.10 0.34 -2.28 0.23 0.00 0.00 176.35 174.91 3duh s HIS 83 N 0.79 3.30 0.22 0.29 2.46 -0.47 -1.10 115.29 120.79 3duh s HIS 83 Ca 0.00 -1.32 -0.29 0.00 0.47 0.00 0.00 55.06 53.92 3duh s HIS 83 Cb -0.14 -3.15 -0.09 0.00 -0.13 0.00 0.00 32.58 29.07 3duh s HIS 83 CO 0.02 -0.86 0.90 0.15 -2.47 0.00 0.00 174.74 172.48 3duh s LYS 84 N 1.51 4.79 -0.02 2.88 -0.14 -1.26 -0.55 119.74 126.95 3duh s LYS 84 Ca 0.04 1.41 0.00 0.00 -1.36 0.00 0.00 55.97 56.06 3duh s LYS 84 Cb -0.24 -3.28 0.02 0.00 -1.68 0.00 0.00 37.83 32.65 3duh s LYS 84 CO 0.04 0.53 0.01 0.21 -0.76 0.00 0.00 175.35 175.37 3duh s LYS 85 N -1.15 0.09 -0.23 1.68 2.20 0.27 -1.37 119.74 121.24 3duh s LYS 85 Ca 0.40 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.12 3duh s LYS 85 Cb -0.25 -0.28 0.05 0.00 -1.51 0.00 0.00 37.83 35.85 3duh s LYS 85 CO 0.31 -0.11 -0.08 -1.21 -0.36 0.00 0.00 175.35 173.89 3duh s GLU 86 N 0.77 1.91 -1.29 4.03 2.02 -0.59 0.16 118.70 125.72 3duh s GLU 86 Ca -0.07 -1.02 -0.00 0.00 0.02 0.00 0.00 54.97 53.90 3duh s GLU 86 Cb -0.10 -2.60 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 3duh s GLU 86 CO -0.02 -0.53 0.75 -0.25 0.02 0.00 0.00 175.26 175.23 3duh n ASP 87 N 4.62 -1.30 0.00 -0.19 9.92 -1.26 -2.04 116.55 126.29 3duh n ASP 87 Ca -0.13 -0.79 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 3duh n ASP 87 Cb 0.44 -4.23 0.00 0.00 -0.64 0.00 0.00 41.12 36.69 3duh n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3duh n GLY 88 N -1.50 2.81 3.56 0.44 0.00 -1.26 -4.99 105.19 104.24 3duh n GLY 88 Ca -0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3duh n GLY 88 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3duh s ILE 89 N -0.96 4.70 0.51 -0.61 2.07 -0.87 -5.04 121.20 121.00 3duh s ILE 89 Ca 0.00 0.58 -0.23 0.00 -1.41 0.00 0.00 60.65 59.60 3duh s ILE 89 Cb 0.00 -4.26 -0.06 0.00 0.13 0.00 0.00 42.46 38.27 3duh s ILE 89 CO 0.00 -0.59 1.33 0.26 -1.91 0.00 0.00 174.94 174.03 3duh s TRP 90 N 3.18 2.45 0.74 3.50 0.52 -1.26 -1.54 118.94 126.52 3duh s TRP 90 Ca 0.30 1.39 -0.13 0.00 0.02 0.00 0.00 56.10 57.67 3duh s TRP 90 Cb -0.13 -3.74 0.04 0.00 -1.15 0.00 0.00 33.47 28.50 3duh s TRP 90 CO 0.20 -2.61 1.12 -1.54 0.02 0.00 0.00 176.95 174.14 3duh s SER 91 N -0.93 4.52 -0.40 2.95 1.04 -0.47 -4.93 113.70 115.48 3duh s SER 91 Ca 0.67 2.01 0.10 0.00 0.48 0.00 0.00 55.95 59.22 3duh s SER 91 Cb -0.39 -2.55 0.37 0.00 0.10 0.00 0.00 66.02 63.56 3duh s SER 91 CO 0.47 -2.03 1.06 0.35 0.98 0.00 0.00 173.24 174.08 3duh n THR 92 N -3.04 0.14 0.03 2.02 -2.24 -1.26 -4.76 114.28 105.17 3duh n THR 92 Ca 0.11 -2.48 -0.02 0.00 -2.27 0.00 0.00 64.05 59.39 3duh n THR 92 Cb 0.52 0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 3duh n THR 92 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3duh h ASP 93 N 2.73 0.00 -0.23 3.42 3.32 -1.99 -3.40 116.42 120.28 3duh h ASP 93 Ca -0.10 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 3duh h ASP 93 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 3duh h ASP 93 CO 0.23 0.68 -0.28 0.40 -1.72 0.00 0.00 179.24 178.54 3duh h ILE 94 N 0.00 1.32 -2.79 0.35 2.04 -1.97 -3.44 117.51 113.02 3duh h ILE 94 Ca -0.16 -1.47 -0.64 0.00 1.00 0.00 0.00 64.86 63.58 3duh h ILE 94 Cb 1.66 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 39.42 3duh h ILE 94 CO 0.06 0.46 -0.38 -0.76 0.00 0.00 0.00 178.15 177.52 3duh s LEU 95 N -8.95 4.41 -0.84 1.44 1.43 -1.26 -4.47 118.68 110.44 3duh s LEU 95 Ca -0.13 0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 53.42 3duh s LEU 95 Cb 0.07 -2.32 0.15 0.00 0.03 0.00 0.00 46.19 44.12 3duh s LEU 95 CO 0.81 0.36 0.96 -0.75 0.23 0.00 0.00 176.35 177.95 3duh s LYS 96 N -1.17 3.50 0.12 1.70 2.20 0.31 -4.99 119.74 121.40 3duh s LYS 96 Ca 0.20 -1.87 -0.29 0.00 -0.36 0.00 0.00 55.97 53.64 3duh s LYS 96 Cb -0.14 -4.66 -0.16 0.00 -1.51 0.00 0.00 37.83 31.36 3duh s LYS 96 CO 0.09 -1.60 0.66 -3.47 -0.36 0.00 0.00 175.35 170.66 3duh n ASP 97 N 5.81 -0.73 0.02 1.43 -0.08 -1.26 -4.65 116.55 117.09 3duh n ASP 97 Ca 0.15 1.04 -0.12 0.00 -1.51 0.00 0.00 54.79 54.35 3duh n ASP 97 Cb 0.47 -0.85 -0.09 0.00 2.34 0.00 0.00 41.12 42.99 3duh n ASP 97 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3duh h GLN 98 N 1.57 -0.13 0.00 -0.67 1.08 -1.66 -3.48 115.11 111.82 3duh h GLN 98 Ca -0.33 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3duh h GLN 98 Cb 1.31 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 3duh h GLN 98 CO 0.55 0.39 0.00 0.36 -0.95 0.00 0.00 178.83 179.17 3duh n LYS 99 N -4.87 0.00 0.09 1.46 -0.00 -1.26 -4.93 118.16 108.65 3duh n LYS 99 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.19 3duh n LYS 99 Cb 0.29 -2.44 -0.02 0.00 -0.00 0.00 0.00 35.03 32.86 3duh n LYS 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 3duh h GLU 100 N 2.71 -0.25 0.20 -1.58 4.11 -1.92 -3.40 114.58 114.45 3duh h GLU 100 Ca 0.00 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 3duh h GLU 100 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3duh h GLU 100 CO 0.00 -0.17 -0.10 -1.35 0.07 0.00 0.00 179.01 177.47 3duh h PRO 101 N -0.50 -0.26 -1.82 1.06 0.11 -1.94 -3.47 132.00 125.17 3duh h PRO 101 Ca -0.03 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3duh h PRO 101 Cb 0.20 0.06 -0.22 0.00 0.11 0.00 0.00 31.00 31.14 3duh h PRO 101 CO 0.04 0.14 0.30 -1.59 -0.21 0.00 0.00 178.00 176.68 3duh s LYS 102 N -3.70 0.75 0.72 1.05 0.00 -1.26 -5.13 119.74 112.16 3duh s LYS 102 Ca -0.13 0.62 -0.17 0.00 0.00 0.00 0.00 55.97 56.29 3duh s LYS 102 Cb 0.01 0.36 -0.07 0.00 0.00 0.00 0.00 37.83 38.13 3duh s LYS 102 CO 0.48 -0.14 0.25 0.09 0.00 0.00 0.00 175.35 176.03 3duh n ASN 103 N 1.93 -2.25 -2.06 0.03 3.02 -1.26 -2.34 115.26 112.33 3duh n ASN 103 Ca -0.14 0.55 -0.16 0.00 -0.03 0.00 0.00 54.58 54.80 3duh n ASN 103 Cb 0.56 -1.09 0.01 0.00 -0.61 0.00 0.00 39.78 38.65 3duh n ASN 103 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3duh n LYS 104 N 0.05 -2.47 -3.65 3.52 -0.00 -1.26 -4.96 118.16 109.39 3duh n LYS 104 Ca 0.08 0.73 -0.38 0.00 -0.00 0.00 0.00 58.31 58.74 3duh n LYS 104 Cb 0.50 -5.12 -0.08 0.00 -0.00 0.00 0.00 35.03 30.33 3duh n LYS 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3duh s THR 105 N -2.90 4.08 -0.17 0.58 -1.32 -0.99 -4.89 115.64 110.03 3duh s THR 105 Ca 0.11 -2.99 0.16 0.00 -1.21 0.00 0.00 61.69 57.77 3duh s THR 105 Cb -0.05 -3.61 0.02 0.00 -1.51 0.00 0.00 72.50 67.34 3duh s THR 105 CO 0.14 -0.92 1.25 -0.26 -2.21 0.00 0.00 174.62 172.61 3duh h PHE 106 N 7.03 0.00 -3.35 9.09 -1.00 -1.90 -1.98 116.94 124.83 3duh h PHE 106 Ca 0.02 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.13 3duh h PHE 106 Cb 0.95 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 40.21 3duh h PHE 106 CO 0.77 0.47 -0.82 -0.51 -1.61 0.00 0.00 178.31 176.60 3duh s LEU 107 N -6.18 2.42 -0.12 1.54 1.43 -1.26 -4.52 118.68 111.99 3duh s LEU 107 Ca 0.02 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3duh s LEU 107 Cb 0.08 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.78 3duh s LEU 107 CO 0.76 0.17 -0.19 -0.13 0.23 0.00 0.00 176.35 177.19 3duh s ARG 108 N 0.33 3.18 0.01 1.70 0.52 -0.73 -4.98 118.95 118.98 3duh s ARG 108 Ca -0.14 -0.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.36 3duh s ARG 108 Cb -0.17 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 3duh s ARG 108 CO 0.07 0.16 -0.26 0.00 0.02 0.00 0.00 175.30 175.29 3duh s GLU 110 N -0.90 0.53 -0.02 0.00 -1.05 -0.02 -4.81 118.70 112.42 3duh s GLU 110 Ca 0.11 -0.98 0.06 0.00 -0.15 0.00 0.00 54.97 54.01 3duh s GLU 110 Cb -0.10 0.08 -0.01 0.00 -0.44 0.00 0.00 34.13 33.66 3duh s GLU 110 CO 0.00 -0.06 -0.21 0.00 0.95 0.00 0.00 175.26 175.94 3duh s ALA 111 N -2.81 1.75 -0.43 -0.84 0.00 -0.59 -1.19 121.76 117.65 3duh s ALA 111 Ca -0.02 -0.89 0.23 0.00 0.00 0.00 0.00 51.96 51.29 3duh s ALA 111 Cb -0.00 -0.47 0.26 0.00 0.00 0.00 0.00 23.12 22.91 3duh s ALA 111 CO -0.05 0.41 1.36 0.87 0.00 0.00 0.00 175.76 178.34 3duh h LYS 112 N 5.72 0.00 0.00 0.00 1.79 -1.78 -1.33 116.57 120.97 3duh h LYS 112 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 3duh h LYS 112 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3duh h LYS 112 CO 0.48 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 179.12 3duh n ASN 113 N -2.67 0.00 -1.26 0.86 0.23 -1.26 -4.49 115.26 106.67 3duh n ASN 113 Ca 0.02 -0.92 0.11 0.00 -0.53 0.00 0.00 54.58 53.27 3duh n ASN 113 Cb 0.51 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.51 3duh n ASN 113 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3duh n TYR 114 N 0.00 0.91 -0.06 -2.53 4.01 -1.26 -4.64 117.16 113.58 3duh n TYR 114 Ca 0.00 -0.50 0.19 0.00 -0.16 0.00 0.00 57.90 57.43 3duh n TYR 114 Cb 0.00 -0.00 0.63 0.00 -0.31 0.00 0.00 39.34 39.66 3duh n TYR 114 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3duh h SER 115 N 4.00 0.13 0.00 7.72 4.64 -1.96 -3.36 113.55 124.71 3duh h SER 115 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3duh h SER 115 Cb 0.96 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3duh h SER 115 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3duh n GLY 116 N -1.61 1.22 3.73 -0.77 0.00 -1.26 -4.76 105.19 101.74 3duh n GLY 116 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3duh n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3duh s ARG 117 N -0.47 4.57 0.11 1.61 0.52 -1.26 -1.29 118.95 122.74 3duh s ARG 117 Ca 0.00 1.27 -0.06 0.00 -0.52 0.00 0.00 55.73 56.42 3duh s ARG 117 Cb 0.00 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 3duh s ARG 117 CO 0.00 0.13 0.15 -0.59 0.02 0.00 0.00 175.30 175.02 3duh s PHE 118 N 0.39 0.38 -0.10 -0.53 -0.12 -0.70 -4.45 117.98 112.85 3duh s PHE 118 Ca 0.45 -0.81 0.03 0.00 -0.05 0.00 0.00 56.93 56.56 3duh s PHE 118 Cb -0.21 -0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.00 3duh s PHE 118 CO 0.26 -0.55 -0.21 0.99 -0.05 0.00 0.00 175.22 175.66 3duh s THR 119 N -3.92 1.82 0.15 -4.49 2.01 -0.33 -0.91 115.64 109.96 3duh s THR 119 Ca 0.11 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.28 3duh s THR 119 Cb 0.05 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3duh s THR 119 CO -0.06 0.51 0.11 0.00 -0.69 0.00 0.00 174.62 174.49 3duh s TRP 121 N -1.67 0.10 0.17 0.00 1.48 -0.06 -0.66 118.94 118.30 3duh s TRP 121 Ca 0.30 -0.40 -0.12 0.00 -1.06 0.00 0.00 56.10 54.82 3duh s TRP 121 Cb -0.10 -0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.16 3duh s TRP 121 CO 0.23 -0.46 0.37 1.67 -4.06 0.00 0.00 176.95 174.70 3duh s TRP 122 N -2.98 0.15 0.05 1.66 -2.14 0.71 -1.78 118.94 114.62 3duh s TRP 122 Ca -0.02 -0.51 0.09 0.00 2.66 0.00 0.00 56.10 58.32 3duh s TRP 122 Cb 0.01 0.12 -0.03 0.00 -3.10 0.00 0.00 33.47 30.47 3duh s TRP 122 CO -0.06 -0.77 -0.24 -0.51 -2.66 0.00 0.00 176.95 172.71 3duh s LEU 123 N -2.91 2.31 0.05 -4.66 1.43 -1.26 -0.34 118.68 113.30 3duh s LEU 123 Ca 0.12 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3duh s LEU 123 Cb 0.02 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3duh s LEU 123 CO -0.03 0.25 0.07 0.28 0.23 0.00 0.00 176.35 177.16 3duh s THR 124 N -0.85 0.16 -2.05 5.49 -1.32 -0.15 -0.53 115.64 116.38 3duh s THR 124 Ca 0.13 -1.36 0.24 0.00 -1.21 0.00 0.00 61.69 59.49 3duh s THR 124 Cb -0.10 -1.20 0.08 0.00 -1.51 0.00 0.00 72.50 69.77 3duh s THR 124 CO 0.03 -0.75 1.22 0.35 -2.21 0.00 0.00 174.62 173.26 3duh n THR 125 N 0.37 0.00 -2.99 5.08 -2.24 -1.26 0.74 114.28 113.97 3duh n THR 125 Ca -0.16 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 60.97 3duh n THR 125 Cb 0.60 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.86 3duh n THR 125 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3duh s ILE 126 N -2.44 4.88 -0.61 2.28 1.01 -1.26 -4.88 121.20 120.18 3duh s ILE 126 Ca 0.21 1.59 0.15 0.00 0.00 0.00 0.00 60.65 62.60 3duh s ILE 126 Cb 0.19 -4.10 -0.18 0.00 0.01 0.00 0.00 42.46 38.38 3duh s ILE 126 CO 0.54 0.30 0.60 -1.54 0.00 0.00 0.00 174.94 174.83 3duh n SER 127 N 3.33 0.82 -4.13 3.58 3.41 -1.26 -4.84 113.62 114.53 3duh n SER 127 Ca -0.01 -0.73 -0.10 0.00 -0.26 0.00 0.00 58.87 57.77 3duh n SER 127 Cb 0.51 1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 65.46 3duh n SER 127 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3duh s THR 128 N -2.52 0.56 -1.45 6.66 -4.23 -1.26 -4.93 115.64 108.46 3duh s THR 128 Ca 0.04 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 58.72 3duh s THR 128 Cb 0.11 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.60 3duh s THR 128 CO 0.62 -0.79 1.02 0.47 -0.54 0.00 0.00 174.62 175.40 3duh n ASP 129 N 0.32 -4.80 -4.25 3.99 8.00 -1.26 -4.80 116.55 113.74 3duh n ASP 129 Ca -0.15 -0.71 -0.32 0.00 0.71 0.00 0.00 54.79 54.32 3duh n ASP 129 Cb 0.59 -4.26 -0.17 0.00 -0.02 0.00 0.00 41.12 37.27 3duh n ASP 129 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3duh s LEU 130 N -7.20 2.08 -0.06 0.64 2.96 -1.26 -1.35 118.68 114.49 3duh s LEU 130 Ca 0.56 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3duh s LEU 130 Cb -0.27 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.05 3duh s LEU 130 CO 0.80 0.22 -0.11 -0.89 -1.32 0.00 0.00 176.35 175.05 3duh s THR 131 N -0.02 1.01 -0.13 3.68 2.01 -0.38 -5.01 115.64 116.80 3duh s THR 131 Ca -0.08 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3duh s THR 131 Cb -0.15 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.44 3duh s THR 131 CO 0.05 0.33 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.76 3duh s PHE 132 N 0.65 2.37 -0.10 4.92 0.08 -1.26 -1.54 117.98 123.10 3duh s PHE 132 Ca -0.13 -1.16 0.04 0.00 0.12 0.00 0.00 56.93 55.80 3duh s PHE 132 Cb -0.15 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3duh s PHE 132 CO 0.03 -0.55 -0.23 -1.54 -0.10 0.00 0.00 175.22 172.83 3duh s SER 133 N 0.88 3.18 -0.17 1.36 1.04 -0.98 -4.51 113.70 114.50 3duh s SER 133 Ca -0.07 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 55.80 3duh s SER 133 Cb -0.15 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 3duh s SER 133 CO -0.02 0.17 -0.07 -0.69 0.98 0.00 0.00 173.24 173.62 3duh s VAL 134 N 0.26 3.47 0.17 5.02 1.01 -1.26 -0.91 120.40 128.16 3duh s VAL 134 Ca -0.16 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.44 3duh s VAL 134 Cb -0.17 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3duh s VAL 134 CO 0.08 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 174.88 3duh s LYS 135 N 0.73 1.44 0.06 2.72 1.02 0.01 -4.79 119.74 120.93 3duh s LYS 135 Ca -0.03 -1.46 -0.14 0.00 0.02 0.00 0.00 55.97 54.37 3duh s LYS 135 Cb -0.15 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.43 3duh s LYS 135 CO 0.02 0.38 0.31 0.45 -0.92 0.00 0.00 175.35 175.59 3duh s SER 136 N -2.52 -0.11 0.21 2.83 0.15 -1.26 0.05 113.70 113.04 3duh s SER 136 Ca 0.18 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 3duh s SER 136 Cb -0.08 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 3duh s SER 136 CO 0.08 -0.67 0.48 -0.94 1.20 0.00 0.00 173.24 173.39 3duh s SER 137 N -2.29 -0.14 -0.30 5.45 1.04 -0.43 -3.68 113.70 113.36 3duh s SER 137 Ca -0.02 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.62 3duh s SER 137 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3duh s SER 137 CO -0.06 -1.08 0.08 -0.60 0.98 0.00 0.00 173.24 172.57 3duh s ARG 138 N -3.94 3.04 0.00 4.02 3.52 0.16 -0.61 118.95 125.13 3duh s ARG 138 Ca 0.15 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 3duh s ARG 138 Cb -0.00 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3duh s ARG 138 CO 0.03 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 3duh n GLY 139 N 4.86 0.25 0.10 8.12 0.00 -0.97 -0.87 105.19 116.69 3duh n GLY 139 Ca -0.14 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 3duh n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3duh n SER 140 N -0.60 2.40 0.16 1.61 7.64 -1.26 -4.16 113.62 119.41 3duh n SER 140 Ca 0.00 -0.11 -0.14 0.00 1.01 0.00 0.00 58.87 59.63 3duh n SER 140 Cb 0.00 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 3duh n SER 140 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3duh h SER 141 N 0.00 -0.30 -2.83 6.43 0.87 -2.02 -3.38 113.55 112.32 3duh h SER 141 Ca -0.45 -0.04 -0.56 0.00 -1.23 0.00 0.00 61.79 59.51 3duh h SER 141 Cb 1.71 0.08 -0.40 0.00 -0.44 0.00 0.00 62.40 63.35 3duh h SER 141 CO -0.07 -0.16 -0.80 -0.62 -0.53 0.00 0.00 176.83 174.65 3duh s ASP 142 N -4.93 3.42 0.15 6.23 2.15 -1.26 -5.13 116.67 117.30 3duh s ASP 142 Ca -0.15 -1.77 -0.30 0.00 0.43 0.00 0.00 52.55 50.76 3duh s ASP 142 Cb 0.04 -0.50 -0.07 0.00 -0.30 0.00 0.00 42.92 42.09 3duh s ASP 142 CO 0.63 -0.38 1.16 -2.84 -0.17 0.00 0.00 175.17 173.58 3duh s PRO 143 N 1.52 4.51 -0.03 4.34 0.02 -1.26 -4.80 135.00 139.31 3duh s PRO 143 Ca 0.13 1.79 -0.06 0.00 0.02 0.00 0.00 61.00 62.89 3duh s PRO 143 Cb -0.19 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 3duh s PRO 143 CO -0.19 -0.07 0.22 -1.14 -0.33 0.00 0.00 177.00 175.49 3duh s GLN 144 N 0.02 3.52 0.28 5.54 0.74 -0.05 -4.90 119.66 124.81 3duh s GLN 144 Ca 0.53 -0.14 -0.29 0.00 0.05 0.00 0.00 55.36 55.50 3duh s GLN 144 Cb -0.31 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.59 3duh s GLN 144 CO 0.34 0.69 1.30 0.20 -0.55 0.00 0.00 175.29 177.27 3duh s GLY 145 N -1.60 2.77 -0.03 2.59 0.00 -1.26 -0.67 107.32 109.12 3duh s GLY 145 Ca 0.25 1.18 0.02 0.00 0.00 0.00 0.00 44.72 46.17 3duh s GLY 145 CO 0.14 1.95 -0.09 0.14 0.00 0.00 0.00 173.10 175.25 3duh s VAL 146 N -0.64 0.81 -0.24 1.40 1.01 -1.24 -1.25 120.40 120.24 3duh s VAL 146 Ca 0.52 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3duh s VAL 146 Cb -0.38 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3duh s VAL 146 CO 0.46 0.26 0.02 -0.89 0.00 0.00 0.00 175.10 174.95 3duh s THR 147 N 0.38 3.92 0.05 3.92 2.01 -0.36 -4.46 115.64 121.09 3duh s THR 147 Ca -0.06 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.69 3duh s THR 147 Cb -0.11 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3duh s THR 147 CO 0.01 0.37 -0.10 0.00 -0.69 0.00 0.00 174.62 174.22 3duh n GLY 149 N 1.24 -0.56 3.78 0.00 0.00 -0.24 -4.99 105.19 104.41 3duh n GLY 149 Ca -0.15 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 3duh n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3duh s ALA 150 N -3.83 3.42 -0.08 4.61 0.00 -1.26 -4.75 121.76 119.87 3duh s ALA 150 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 3duh s ALA 150 Cb 0.00 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 3duh s ALA 150 CO 0.00 0.28 1.19 0.00 0.00 0.00 0.00 175.76 177.22 3duh s ALA 151 N -1.21 3.52 0.12 0.00 0.00 -1.26 -4.62 121.76 118.31 3duh s ALA 151 Ca 0.38 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.93 3duh s ALA 151 Cb -0.23 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3duh s ALA 151 CO 0.27 -0.82 -0.10 0.95 0.00 0.00 0.00 175.76 176.06 3duh s THR 152 N 2.42 1.03 -0.04 0.00 -4.23 -0.62 -4.89 115.64 109.31 3duh s THR 152 Ca 0.55 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 3duh s THR 152 Cb -0.23 -1.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.93 3duh s THR 152 CO 0.20 -0.68 1.66 -0.22 -0.54 0.00 0.00 174.62 175.04 3duh s LEU 153 N -2.84 4.33 -0.22 4.79 0.20 -1.26 -1.74 118.68 121.95 3duh s LEU 153 Ca 0.11 2.27 -0.08 0.00 0.69 0.00 0.00 54.13 57.12 3duh s LEU 153 Cb 0.00 -3.54 -0.19 0.00 -0.43 0.00 0.00 46.19 42.04 3duh s LEU 153 CO -0.00 -0.92 -0.01 -1.54 -0.29 0.00 0.00 176.35 173.59 3duh n SER 154 N 6.91 1.99 -3.60 3.68 3.41 0.25 -4.92 113.62 121.35 3duh n SER 154 Ca 0.17 0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.84 3duh n SER 154 Cb 0.42 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 3duh n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3duh s ALA 155 N -2.50 -1.08 0.51 7.33 0.00 -1.10 -5.01 121.76 119.92 3duh s ALA 155 Ca -0.31 0.16 0.07 0.00 0.00 0.00 0.00 51.96 51.88 3duh s ALA 155 Cb 0.09 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.87 3duh s ALA 155 CO 0.62 -0.61 0.51 -1.21 0.00 0.00 0.00 175.76 175.07 3duh s GLU 156 N -3.42 2.37 0.00 0.00 2.02 -1.26 0.13 118.70 118.53 3duh s GLU 156 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.24 3duh s GLU 156 Cb 0.01 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3duh s GLU 156 CO -0.09 -0.56 0.00 0.09 0.02 0.00 0.00 175.26 174.72 3duh n ASN 162 N -1.85 0.00 -3.38 -0.19 3.02 -1.26 -4.91 115.26 106.70 3duh n ASN 162 Ca 0.05 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.33 3duh n ASN 162 Cb 0.63 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.70 3duh n ASN 162 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3duh n LYS 163 N 0.00 0.28 -4.26 3.52 3.00 -1.26 -5.12 118.16 114.31 3duh n LYS 163 Ca 0.00 -3.21 -0.30 0.00 -0.00 0.00 0.00 58.31 54.81 3duh n LYS 163 Cb 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 35.03 33.29 3duh n LYS 163 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3duh s GLU 164 N -0.11 2.14 -0.10 1.64 2.02 -1.26 -4.63 118.70 118.40 3duh s GLU 164 Ca 0.33 -1.01 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 3duh s GLU 164 Cb 0.05 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 3duh s GLU 164 CO -0.19 0.51 -0.09 0.71 0.02 0.00 0.00 175.26 176.22 3duh s TYR 165 N -1.19 2.88 -0.19 1.61 1.51 0.23 -4.47 117.35 117.73 3duh s TYR 165 Ca 0.21 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.91 3duh s TYR 165 Cb -0.11 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3duh s TYR 165 CO 0.13 0.06 0.04 -2.00 -1.11 0.00 0.00 175.55 172.67 3duh s GLU 166 N -0.17 3.84 0.02 -0.62 2.12 0.12 -0.98 118.70 123.03 3duh s GLU 166 Ca 0.01 -0.41 0.05 0.00 0.36 0.00 0.00 54.97 54.98 3duh s GLU 166 Cb -0.13 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 3duh s GLU 166 CO 0.03 0.17 -0.11 0.71 -0.54 0.00 0.00 175.26 175.52 3duh s TYR 167 N 0.63 2.77 0.05 5.30 2.02 0.54 0.88 117.35 129.52 3duh s TYR 167 Ca 0.02 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 3duh s TYR 167 Cb -0.13 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 3duh s TYR 167 CO 0.02 0.32 -0.05 -1.54 -1.57 0.00 0.00 175.55 172.73 3duh s SER 168 N -1.40 0.58 -0.00 2.29 1.04 -0.71 -0.21 113.70 115.29 3duh s SER 168 Ca 0.16 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 3duh s SER 168 Cb -0.11 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3duh s SER 168 CO 0.07 -0.39 0.01 0.54 0.98 0.00 0.00 173.24 174.45 3duh s VAL 169 N -2.45 0.00 -0.16 5.02 0.11 0.16 -1.59 120.40 121.50 3duh s VAL 169 Ca -0.04 -0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3duh s VAL 169 Cb -0.03 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 3duh s VAL 169 CO -0.04 -0.02 -0.01 -1.61 -3.33 0.00 0.00 175.10 170.09 3duh s GLU 170 N -0.06 3.69 0.23 1.54 2.02 -1.26 -1.54 118.70 123.32 3duh s GLU 170 Ca -0.01 -0.47 0.10 0.00 0.02 0.00 0.00 54.97 54.62 3duh s GLU 170 Cb -0.01 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 3duh s GLU 170 CO -0.00 0.29 -0.19 0.00 0.02 0.00 0.00 175.26 175.38 3duh s GLN 172 N -3.28 0.11 0.21 0.00 0.74 0.91 -1.71 119.66 116.63 3duh s GLN 172 Ca 0.24 0.53 -0.32 0.00 0.05 0.00 0.00 55.36 55.86 3duh s GLN 172 Cb -0.04 -0.44 -0.11 0.00 1.10 0.00 0.00 33.01 33.52 3duh s GLN 172 CO 0.10 -0.39 1.65 -2.00 -0.55 0.00 0.00 175.29 174.11 3duh s GLU 173 N 2.34 4.15 0.09 1.67 2.12 -0.41 -1.22 118.70 127.44 3duh s GLU 173 Ca 0.03 2.52 -0.17 0.00 0.36 0.00 0.00 54.97 57.72 3duh s GLU 173 Cb -0.13 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.09 3duh s GLU 173 CO -0.08 -0.69 1.46 -0.44 -0.54 0.00 0.00 175.26 174.98 3duh h ASP 174 N 6.49 0.58 -2.29 -1.70 3.45 -1.53 -3.34 116.42 118.08 3duh h ASP 174 Ca -0.43 -0.40 -0.61 0.00 0.43 0.00 0.00 57.03 56.02 3duh h ASP 174 Cb 1.20 -0.16 -0.41 0.00 -0.56 0.00 0.00 39.33 39.41 3duh h ASP 174 CO 0.92 0.85 -0.50 -1.20 -1.57 0.00 0.00 179.24 177.74 3duh n SER 175 N -4.46 4.73 -4.76 6.45 7.64 -1.26 -5.08 113.62 116.87 3duh n SER 175 Ca -0.03 -3.69 -0.39 0.00 1.01 0.00 0.00 58.87 55.77 3duh n SER 175 Cb 0.35 -0.61 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 3duh n SER 175 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3duh s ALA 176 N -3.54 3.16 -0.52 -0.43 0.00 -1.25 -5.02 121.76 114.16 3duh s ALA 176 Ca 0.48 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.76 3duh s ALA 176 Cb 0.27 -3.52 0.14 0.00 0.00 0.00 0.00 23.12 20.02 3duh s ALA 176 CO -0.14 -1.00 0.31 0.00 0.00 0.00 0.00 175.76 174.93 3duh h PRO 178 N 6.29 0.55 0.00 0.00 0.11 -1.87 -2.46 132.00 134.62 3duh h PRO 178 Ca 0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3duh h PRO 178 Cb 0.88 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3duh h PRO 178 CO 0.59 0.36 -0.61 0.00 -0.21 0.00 0.00 178.00 178.13 3duh h ALA 179 N 1.63 0.60 -2.47 -0.75 0.00 -1.95 -3.47 119.26 112.85 3duh h ALA 179 Ca 0.55 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.99 3duh h ALA 179 Cb 1.14 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.05 3duh h ALA 179 CO -0.30 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.26 3duh s ALA 180 N -3.18 1.96 -0.41 0.00 0.00 -0.93 -5.00 121.76 114.21 3duh s ALA 180 Ca 0.06 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 3duh s ALA 180 Cb 0.13 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 20.21 3duh s ALA 180 CO 0.72 -2.08 0.29 -2.00 0.00 0.00 0.00 175.76 172.70 3duh s GLU 181 N -5.24 3.00 0.24 0.00 2.12 -1.26 -5.03 118.70 112.52 3duh s GLU 181 Ca 0.63 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 3duh s GLU 181 Cb -0.15 -3.97 -0.10 0.00 0.26 0.00 0.00 34.13 30.18 3duh s GLU 181 CO 0.53 -0.73 1.43 -1.21 -0.54 0.00 0.00 175.26 174.75 3duh s GLU 182 N 1.68 4.28 -0.03 4.30 2.02 -1.26 -4.89 118.70 124.80 3duh s GLU 182 Ca 0.05 2.28 0.11 0.00 0.02 0.00 0.00 54.97 57.42 3duh s GLU 182 Cb -0.19 -3.12 -0.16 0.00 0.10 0.00 0.00 34.13 30.76 3duh s GLU 182 CO 0.10 -0.41 0.20 -1.13 0.02 0.00 0.00 175.26 174.03 3duh n SER 183 N 2.47 2.48 -4.33 -0.19 3.41 -1.26 -5.00 113.62 111.20 3duh n SER 183 Ca 0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.36 3duh n SER 183 Cb 0.40 1.34 -0.15 0.00 -0.26 0.00 0.00 64.21 65.54 3duh n SER 183 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3duh s LEU 184 N -3.98 2.41 0.49 1.04 1.43 -1.26 -5.13 118.68 113.68 3duh s LEU 184 Ca -0.04 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3duh s LEU 184 Cb 0.06 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3duh s LEU 184 CO 0.45 0.23 0.80 -2.16 0.23 0.00 0.00 176.35 175.89 3duh s PRO 185 N -0.03 3.51 0.07 1.29 0.04 -1.26 -4.74 135.00 133.88 3duh s PRO 185 Ca -0.06 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 3duh s PRO 185 Cb -0.15 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 3duh s PRO 185 CO 0.05 -0.24 1.11 0.42 0.04 0.00 0.00 177.00 178.38 3duh s ILE 186 N -2.77 4.25 -0.20 0.56 1.01 0.24 -2.28 121.20 122.01 3duh s ILE 186 Ca 0.48 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.69 3duh s ILE 186 Cb -0.10 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 3duh s ILE 186 CO 0.45 0.17 0.22 -1.61 0.00 0.00 0.00 174.94 174.17 3duh s GLU 187 N 0.71 4.17 -0.13 2.79 0.41 0.22 -1.57 118.70 125.29 3duh s GLU 187 Ca 0.54 -0.10 0.02 0.00 -0.41 0.00 0.00 54.97 55.02 3duh s GLU 187 Cb -0.27 -3.48 0.00 0.00 -1.78 0.00 0.00 34.13 28.61 3duh s GLU 187 CO 0.30 0.16 -0.19 0.08 -0.49 0.00 0.00 175.26 175.12 3duh s VAL 188 N 0.75 2.36 -0.15 2.63 1.01 0.42 -1.31 120.40 126.12 3duh s VAL 188 Ca 0.11 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3duh s VAL 188 Cb -0.13 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3duh s VAL 188 CO 0.03 0.54 -0.20 -0.04 0.00 0.00 0.00 175.10 175.42 3duh s MET 189 N 0.65 2.90 -0.20 2.72 -1.94 0.11 -1.39 119.30 122.15 3duh s MET 189 Ca -0.10 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.06 3duh s MET 189 Cb -0.16 -2.41 0.01 0.00 2.01 0.00 0.00 34.83 34.27 3duh s MET 189 CO 0.02 -0.09 -0.12 0.08 -0.01 0.00 0.00 175.02 174.90 3duh s VAL 190 N 1.01 2.71 -0.16 -6.03 1.01 -0.01 -0.81 120.40 118.12 3duh s VAL 190 Ca -0.03 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 3duh s VAL 190 Cb -0.15 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3duh s VAL 190 CO -0.06 0.47 0.67 -1.81 0.00 0.00 0.00 175.10 174.37 3duh s ASP 191 N 1.38 6.80 -0.13 3.32 1.01 -0.08 -0.60 116.67 128.37 3duh s ASP 191 Ca 0.05 0.97 0.02 0.00 0.71 0.00 0.00 52.55 54.30 3duh s ASP 191 Cb -0.14 -2.38 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 3duh s ASP 191 CO -0.08 -0.24 -0.20 0.00 0.21 0.00 0.00 175.17 174.86 3duh s ALA 192 N 1.61 2.34 -0.12 5.23 0.00 0.10 -2.33 121.76 128.60 3duh s ALA 192 Ca 0.32 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 3duh s ALA 192 Cb -0.16 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 21.97 3duh s ALA 192 CO 0.12 0.13 -0.05 0.08 0.00 0.00 0.00 175.76 176.04 3duh s VAL 193 N 0.57 0.91 -0.22 0.00 1.01 -0.59 0.22 120.40 122.30 3duh s VAL 193 Ca -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3duh s VAL 193 Cb -0.16 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3duh s VAL 193 CO 0.04 0.28 -0.13 -2.28 0.00 0.00 0.00 175.10 173.01 3duh s HIS 194 N 1.75 2.97 0.00 5.22 2.46 0.27 -1.25 115.29 126.70 3duh s HIS 194 Ca 0.04 -1.67 0.00 0.00 0.47 0.00 0.00 55.06 53.90 3duh s HIS 194 Cb -0.13 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 3duh s HIS 194 CO -0.08 -0.77 0.00 1.63 -2.47 0.00 0.00 174.74 173.05 3duh n LYS 195 N 4.62 0.00 -0.20 2.88 5.02 -0.45 0.23 118.16 130.25 3duh n LYS 195 Ca -0.18 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.17 3duh n LYS 195 Cb 0.48 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.64 3duh n LYS 195 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3duh n LEU 196 N 0.00 2.94 -4.59 -0.35 4.77 -1.26 -4.96 117.00 113.56 3duh n LEU 196 Ca 0.00 -2.40 -0.37 0.00 -0.03 0.00 0.00 56.01 53.21 3duh n LEU 196 Cb 0.00 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 3duh n LEU 196 CO 0.00 0.67 -0.19 -0.75 -1.33 0.00 0.00 177.39 175.79 3duh s LYS 197 N -1.71 3.94 -0.11 3.23 2.20 0.14 -0.80 119.74 126.62 3duh s LYS 197 Ca 0.25 -0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 55.49 3duh s LYS 197 Cb 0.18 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 3duh s LYS 197 CO 0.09 -0.11 0.06 -0.47 -0.36 0.00 0.00 175.35 174.57 3duh s TYR 198 N 1.53 3.33 -0.00 4.03 5.04 -0.26 -0.57 117.35 130.46 3duh s TYR 198 Ca 0.07 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.98 3duh s TYR 198 Cb -0.15 -1.89 -0.00 0.00 0.35 0.00 0.00 41.96 40.26 3duh s TYR 198 CO 0.08 0.51 0.01 -1.21 -1.34 0.00 0.00 175.55 173.61 3duh s GLU 199 N -0.73 0.10 -0.16 4.97 2.02 0.13 -4.33 118.70 120.71 3duh s GLU 199 Ca 0.12 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.92 3duh s GLU 199 Cb -0.12 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 3duh s GLU 199 CO 0.03 -0.02 0.09 -0.80 0.02 0.00 0.00 175.26 174.58 3duh s ASN 200 N -0.34 5.88 0.12 -0.19 0.01 -1.26 0.01 114.94 119.17 3duh s ASN 200 Ca -0.04 0.22 0.08 0.00 -0.71 0.00 0.00 52.86 52.41 3duh s ASN 200 Cb -0.02 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 3duh s ASN 200 CO -0.00 0.27 -0.19 -0.31 -1.51 0.00 0.00 177.10 175.36 3duh s TYR 201 N -0.17 1.73 0.06 2.20 2.02 0.23 -5.00 117.35 118.43 3duh s TYR 201 Ca 0.08 -0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 56.28 3duh s TYR 201 Cb -0.12 -0.91 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3duh s TYR 201 CO 0.01 0.24 0.09 -0.08 -1.57 0.00 0.00 175.55 174.23 3duh s THR 202 N -1.57 0.17 -0.01 -0.71 -1.32 -1.26 -0.83 115.64 110.11 3duh s THR 202 Ca 0.09 -1.42 -0.23 0.00 -1.21 0.00 0.00 61.69 58.93 3duh s THR 202 Cb -0.08 -1.33 0.05 0.00 -1.51 0.00 0.00 72.50 69.62 3duh s THR 202 CO 0.05 -0.78 0.50 -0.55 -2.21 0.00 0.00 174.62 171.62 3duh s SER 203 N -2.76 -0.42 -0.12 8.08 0.15 -0.49 -4.76 113.70 113.40 3duh s SER 203 Ca 0.04 0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.89 3duh s SER 203 Cb 0.05 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 3duh s SER 203 CO -0.10 -0.59 0.34 -0.94 1.20 0.00 0.00 173.24 173.16 3duh s SER 204 N -1.48 -0.34 -0.15 5.45 1.04 -1.26 -0.43 113.70 116.53 3duh s SER 204 Ca -0.10 0.62 -0.32 0.00 0.48 0.00 0.00 55.95 56.63 3duh s SER 204 Cb -0.02 0.65 0.13 0.00 0.10 0.00 0.00 66.02 66.89 3duh s SER 204 CO 0.04 -0.15 1.10 0.72 0.98 0.00 0.00 173.24 175.93 3duh s PHE 205 N 0.02 -0.23 0.14 5.02 -0.12 -0.61 -4.97 117.98 117.24 3duh s PHE 205 Ca -0.01 0.26 -0.17 0.00 -0.05 0.00 0.00 56.93 56.95 3duh s PHE 205 Cb -0.03 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 3duh s PHE 205 CO 0.01 -0.29 0.60 -0.06 -0.05 0.00 0.00 175.22 175.42 3duh s PHE 206 N -2.02 3.69 0.29 3.49 0.40 -1.26 0.80 117.98 123.36 3duh s PHE 206 Ca 0.05 1.21 0.02 0.00 -0.60 0.00 0.00 56.93 57.62 3duh s PHE 206 Cb -0.01 -2.47 0.62 0.00 0.51 0.00 0.00 43.02 41.66 3duh s PHE 206 CO -0.04 0.46 1.80 0.82 0.70 0.00 0.00 175.22 178.96 3duh h ILE 207 N 3.03 0.80 -0.16 0.64 1.08 -1.97 -2.28 117.51 118.65 3duh h ILE 207 Ca -0.49 -0.29 0.05 0.00 -0.39 0.00 0.00 64.86 63.74 3duh h ILE 207 Cb 1.20 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 3duh h ILE 207 CO 0.65 0.15 0.14 0.08 -0.69 0.00 0.00 178.15 178.48 3duh h ARG 208 N 0.84 0.00 0.00 2.37 0.11 -1.95 -1.69 114.38 114.05 3duh h ARG 208 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 3duh h ARG 208 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 3duh h ARG 208 CO -0.33 0.00 -0.63 -0.44 0.10 0.00 0.00 179.97 178.67 3duh h ASP 209 N 0.00 0.00 -0.35 0.08 3.32 -1.82 -3.29 116.42 114.36 3duh h ASP 209 Ca 0.08 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3duh h ASP 209 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3duh h ASP 209 CO -0.00 0.03 0.00 2.30 -1.72 0.00 0.00 179.24 179.85 3duh n ILE 210 N -2.60 0.65 -1.73 0.35 -5.35 -0.70 -4.76 119.36 105.23 3duh n ILE 210 Ca 0.02 -0.83 -0.42 0.00 -0.27 0.00 0.00 62.75 61.25 3duh n ILE 210 Cb 0.51 0.79 -0.02 0.00 -1.74 0.00 0.00 39.64 39.18 3duh n ILE 210 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3duh n ILE 211 N 1.00 0.71 -3.37 7.28 2.08 -0.83 -1.54 119.36 124.69 3duh n ILE 211 Ca 0.15 -0.18 -0.10 0.00 0.56 0.00 0.00 62.75 63.18 3duh n ILE 211 Cb 0.48 -1.90 -0.09 0.00 -0.75 0.00 0.00 39.64 37.38 3duh n ILE 211 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3duh s LYS 212 N -0.01 0.33 0.72 0.38 2.20 -0.50 -1.55 119.74 121.30 3duh s LYS 212 Ca 0.68 0.47 -0.12 0.00 -0.36 0.00 0.00 55.97 56.64 3duh s LYS 212 Cb -0.52 -0.56 0.03 0.00 -1.51 0.00 0.00 37.83 35.27 3duh s LYS 212 CO 0.44 -0.66 1.09 -2.14 -0.36 0.00 0.00 175.35 173.72 3duh s PRO 213 N 2.52 2.53 0.79 4.03 0.02 -1.26 -4.22 135.00 139.42 3duh s PRO 213 Ca 0.12 1.23 -0.11 0.00 0.02 0.00 0.00 61.00 62.26 3duh s PRO 213 Cb -0.15 -1.93 0.07 0.00 0.02 0.00 0.00 34.50 32.51 3duh s PRO 213 CO -0.16 -1.44 1.09 -0.51 -0.33 0.00 0.00 177.00 175.65 3duh s ASP 214 N -3.12 4.34 0.67 2.53 1.01 -1.26 -4.16 116.67 116.69 3duh s ASP 214 Ca 0.63 1.77 -0.17 0.00 0.71 0.00 0.00 52.55 55.49 3duh s ASP 214 Cb -0.18 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 3duh s ASP 214 CO 0.50 -2.13 1.08 -2.65 0.21 0.00 0.00 175.17 172.18 3duh n PRO 215 N -3.58 0.79 -1.63 8.23 -0.02 -1.26 -4.67 135.00 132.86 3duh n PRO 215 Ca 0.09 0.32 -0.44 0.00 -2.02 0.00 0.00 63.50 61.45 3duh n PRO 215 Cb 0.53 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 3duh n PRO 215 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3duh n PRO 216 N -1.71 1.64 -3.35 0.52 -0.02 -1.26 -4.26 135.00 126.56 3duh n PRO 216 Ca 0.14 0.57 -0.22 0.00 -2.02 0.00 0.00 63.50 61.98 3duh n PRO 216 Cb 0.48 -2.03 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3duh n PRO 216 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3duh s LYS 217 N -1.60 3.26 -1.50 -0.52 -2.85 -0.85 -4.60 119.74 111.09 3duh s LYS 217 Ca 0.58 -0.59 -0.11 0.00 -1.00 0.00 0.00 55.97 54.85 3duh s LYS 217 Cb -0.66 -2.69 0.07 0.00 -2.06 0.00 0.00 37.83 32.49 3duh s LYS 217 CO 0.60 0.03 0.90 -1.71 0.10 0.00 0.00 175.35 175.27 3duh n ASN 218 N -1.80 -3.86 -4.65 0.03 5.15 -1.26 -1.31 115.26 107.56 3duh n ASN 218 Ca -0.02 -0.81 -0.46 0.00 -0.60 0.00 0.00 54.58 52.68 3duh n ASN 218 Cb 0.57 -3.80 -0.04 0.00 -0.53 0.00 0.00 39.78 35.98 3duh n ASN 218 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3duh n LEU 219 N -4.58 3.53 -4.23 1.20 7.94 -1.26 -4.29 117.00 115.31 3duh n LEU 219 Ca -0.03 0.79 -0.21 0.00 -1.11 0.00 0.00 56.01 55.45 3duh n LEU 219 Cb 0.56 -1.43 -0.12 0.00 0.53 0.00 0.00 43.42 42.95 3duh n LEU 219 CO 0.75 -0.12 -0.48 -1.10 -1.11 0.00 0.00 177.39 175.32 3duh s GLN 220 N 4.71 0.97 -0.13 1.96 -0.21 0.75 -5.00 119.66 122.71 3duh s GLN 220 Ca 0.94 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 55.25 3duh s GLN 220 Cb -0.58 -1.08 0.02 0.00 1.00 0.00 0.00 33.01 32.37 3duh s GLN 220 CO 0.46 0.24 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.25 3duh s LEU 221 N -1.88 1.53 -0.18 2.90 1.43 -1.26 -1.42 118.68 119.80 3duh s LEU 221 Ca 0.03 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3duh s LEU 221 Cb -0.10 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.06 3duh s LEU 221 CO 0.03 -0.07 -0.13 -1.59 0.23 0.00 0.00 176.35 174.83 3duh s LYS 222 N 1.49 3.24 0.77 1.70 -2.85 -0.87 -5.00 119.74 118.22 3duh s LYS 222 Ca 0.04 -0.72 -0.12 0.00 -1.00 0.00 0.00 55.97 54.17 3duh s LYS 222 Cb -0.13 -2.73 0.05 0.00 -2.06 0.00 0.00 37.83 32.97 3duh s LYS 222 CO -0.09 -0.07 1.12 -1.25 0.10 0.00 0.00 175.35 175.17 3duh s PRO 223 N 1.05 2.34 0.10 1.78 0.04 -1.26 -1.09 135.00 137.96 3duh s PRO 223 Ca -0.01 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.42 3duh s PRO 223 Cb -0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3duh s PRO 223 CO -0.03 -1.38 0.00 1.28 0.04 0.00 0.00 177.00 176.91 3duh n LEU 224 N -3.23 0.68 -1.32 -3.56 4.77 -1.26 -4.81 117.00 108.27 3duh n LEU 224 Ca 0.07 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3duh n LEU 224 Cb 0.58 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3duh n LEU 224 CO 0.57 -0.60 -0.23 0.00 -1.33 0.00 0.00 177.39 175.80 3duh n GLN 229 N -3.36 -2.67 -3.93 3.23 1.13 -1.26 -5.16 117.38 105.36 3duh n GLN 229 Ca 0.00 2.16 -0.20 0.00 -1.94 0.00 0.00 57.00 57.02 3duh n GLN 229 Cb 0.10 -2.14 -0.17 0.00 0.11 0.00 0.00 30.24 28.14 3duh n GLN 229 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3duh s VAL 230 N -0.26 0.31 -0.53 5.09 -7.23 -0.75 -4.91 120.40 112.12 3duh s VAL 230 Ca 0.00 0.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.95 3duh s VAL 230 Cb 0.00 -0.41 0.03 0.00 0.56 0.00 0.00 36.38 36.56 3duh s VAL 230 CO 0.00 0.20 1.14 -0.70 -0.31 0.00 0.00 175.10 175.43 3duh s GLU 231 N 1.32 3.60 0.01 4.82 2.12 -0.25 -1.96 118.70 128.35 3duh s GLU 231 Ca -0.05 0.36 -0.20 0.00 0.36 0.00 0.00 54.97 55.43 3duh s GLU 231 Cb -0.13 -3.97 -0.06 0.00 0.26 0.00 0.00 34.13 30.24 3duh s GLU 231 CO -0.02 -1.52 0.58 0.54 -0.54 0.00 0.00 175.26 174.30 3duh s VAL 232 N 4.63 4.89 0.05 3.70 0.11 0.79 -2.05 120.40 132.52 3duh s VAL 232 Ca 0.44 1.22 0.02 0.00 -2.93 0.00 0.00 61.98 60.73 3duh s VAL 232 Cb -0.08 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 3duh s VAL 232 CO 0.28 0.44 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.48 3duh s SER 233 N -0.35 0.90 0.35 3.54 1.04 -0.51 -1.54 113.70 117.14 3duh s SER 233 Ca 0.30 -0.62 -0.06 0.00 0.48 0.00 0.00 55.95 56.05 3duh s SER 233 Cb -0.18 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.01 3duh s SER 233 CO 0.17 -0.24 0.56 -2.67 0.98 0.00 0.00 173.24 172.04 3duh n TRP 234 N 1.23 -1.73 -4.29 5.02 2.14 -0.76 -0.18 117.44 118.87 3duh n TRP 234 Ca -0.21 -2.04 -0.16 0.00 2.07 0.00 0.00 57.50 57.16 3duh n TRP 234 Cb 0.56 0.65 -0.10 0.00 -0.81 0.00 0.00 31.31 31.60 3duh n TRP 234 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3duh s GLU 235 N -2.51 1.21 0.44 -2.67 2.02 -0.43 -4.81 118.70 111.96 3duh s GLU 235 Ca 0.23 -1.58 -0.26 0.00 0.02 0.00 0.00 54.97 53.38 3duh s GLU 235 Cb -0.02 -0.60 -0.09 0.00 0.10 0.00 0.00 34.13 33.52 3duh s GLU 235 CO 0.16 -0.03 1.43 0.71 0.02 0.00 0.00 175.26 177.56 3duh s TYR 236 N -3.39 2.49 0.49 1.61 1.51 -1.26 -2.00 117.35 116.79 3duh s TYR 236 Ca 0.23 1.25 -0.23 0.00 -1.01 0.00 0.00 57.07 57.31 3duh s TYR 236 Cb 0.04 -3.93 -0.07 0.00 -0.11 0.00 0.00 41.96 37.90 3duh s TYR 236 CO 0.05 -2.92 1.34 -1.25 -1.11 0.00 0.00 175.55 171.66 3duh s PRO 237 N -2.39 3.47 0.35 -1.71 0.04 -1.26 -4.54 135.00 128.97 3duh s PRO 237 Ca 0.60 2.21 0.08 0.00 0.04 0.00 0.00 61.00 63.93 3duh s PRO 237 Cb -0.44 -2.45 0.80 0.00 0.04 0.00 0.00 34.50 32.45 3duh s PRO 237 CO 0.57 -0.92 1.88 -0.44 0.04 0.00 0.00 177.00 178.13 3duh h ASP 238 N 1.92 0.67 0.87 6.66 3.32 -1.93 -2.34 116.42 125.59 3duh h ASP 238 Ca -0.50 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3duh h ASP 238 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3duh h ASP 238 CO 0.59 0.35 0.00 0.35 -1.72 0.00 0.00 179.24 178.81 3duh n THR 239 N -4.55 0.56 -2.48 0.35 -2.24 -1.26 -4.85 114.28 99.82 3duh n THR 239 Ca 0.17 0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.62 3duh n THR 239 Cb 0.44 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.84 3duh n THR 239 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3duh s TRP 240 N -3.07 3.58 0.23 4.78 -0.11 -0.88 -4.49 118.94 118.98 3duh s TRP 240 Ca 0.10 1.70 -0.30 0.00 1.22 0.00 0.00 56.10 58.81 3duh s TRP 240 Cb 0.13 -3.28 -0.15 0.00 -1.50 0.00 0.00 33.47 28.67 3duh s TRP 240 CO 0.43 -0.54 1.05 0.43 -4.62 0.00 0.00 176.95 173.70 3duh n SER 241 N 1.22 1.14 -4.49 5.86 7.64 -1.26 -5.00 113.62 118.72 3duh n SER 241 Ca -0.01 1.16 -0.28 0.00 1.01 0.00 0.00 58.87 60.74 3duh n SER 241 Cb 0.45 -1.23 -0.11 0.00 -1.01 0.00 0.00 64.21 62.31 3duh n SER 241 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3duh s THR 242 N -0.63 2.82 0.26 0.44 -4.23 -1.26 -4.11 115.64 108.93 3duh s THR 242 Ca 0.66 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.23 3duh s THR 242 Cb -0.79 -2.33 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 3duh s THR 242 CO 0.56 0.01 1.20 -2.16 -0.54 0.00 0.00 174.62 173.69 3duh s PRO 243 N -2.41 4.50 0.55 3.99 0.04 -1.26 -4.92 135.00 135.49 3duh s PRO 243 Ca 0.20 1.95 0.26 0.00 0.04 0.00 0.00 61.00 63.45 3duh s PRO 243 Cb -0.10 -3.17 1.44 0.00 0.04 0.00 0.00 34.50 32.72 3duh s PRO 243 CO 0.11 -0.02 2.02 0.45 0.04 0.00 0.00 177.00 179.60 3duh h HIS 244 N 4.26 0.00 0.00 0.56 3.86 -1.80 0.56 115.15 122.59 3duh h HIS 244 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3duh h HIS 244 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3duh h HIS 244 CO 0.59 0.00 0.00 0.66 0.86 0.00 0.00 177.93 180.04 3duh h SER 245 N 0.00 0.00 0.00 2.45 4.64 -1.98 -3.08 113.55 115.58 3duh h SER 245 Ca 0.20 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.35 3duh h SER 245 Cb 0.86 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 3duh h SER 245 CO -0.00 0.00 -1.53 0.00 -0.87 0.00 0.00 176.83 174.43 3duh n TYR 246 N -2.95 0.00 -2.48 4.77 4.19 -0.46 -4.74 117.16 115.50 3duh n TYR 246 Ca -0.00 0.00 -0.43 0.00 3.31 0.00 0.00 57.90 60.78 3duh n TYR 246 Cb 0.21 -0.64 0.00 0.00 0.49 0.00 0.00 39.34 39.40 3duh n TYR 246 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 3duh n PHE 247 N -4.28 3.82 -2.64 2.98 3.72 0.06 -5.00 117.46 116.12 3duh n PHE 247 Ca -0.28 -3.00 -0.37 0.00 -0.05 0.00 0.00 57.45 53.75 3duh n PHE 247 Cb 0.63 -2.17 -0.05 0.00 -0.94 0.00 0.00 39.48 36.95 3duh n PHE 247 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3duh s SER 248 N 2.09 7.07 0.37 4.37 0.01 -1.17 -4.55 113.70 121.90 3duh s SER 248 Ca 0.43 1.97 0.08 0.00 1.31 0.00 0.00 55.95 59.74 3duh s SER 248 Cb 0.06 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 3duh s SER 248 CO -0.00 -0.26 0.28 -0.76 0.41 0.00 0.00 173.24 172.91 3duh s LEU 249 N -2.25 3.43 0.08 2.44 1.43 -1.26 -1.67 118.68 120.89 3duh s LEU 249 Ca 0.53 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3duh s LEU 249 Cb -0.22 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 3duh s LEU 249 CO 0.27 -0.45 -0.09 0.28 0.23 0.00 0.00 176.35 176.59 3duh s THR 250 N -2.40 0.81 0.09 5.49 -1.32 0.05 -4.55 115.64 113.81 3duh s THR 250 Ca 0.42 -1.53 0.06 0.00 -1.21 0.00 0.00 61.69 59.43 3duh s THR 250 Cb -0.04 -1.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 3duh s THR 250 CO 0.26 -0.55 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.60 3duh s PHE 251 N -2.31 1.39 -0.22 9.09 0.08 0.06 -0.78 117.98 125.29 3duh s PHE 251 Ca 0.02 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.62 3duh s PHE 251 Cb -0.04 -0.76 0.05 0.00 -0.57 0.00 0.00 43.02 41.70 3duh s PHE 251 CO -0.01 0.11 -0.10 0.00 -0.10 0.00 0.00 175.22 175.12 3duh s VAL 253 N 1.32 5.21 -0.04 0.00 1.01 0.86 -2.04 120.40 126.72 3duh s VAL 253 Ca -0.03 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.61 3duh s VAL 253 Cb -0.17 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3duh s VAL 253 CO -0.07 0.25 -0.12 -1.58 0.00 0.00 0.00 175.10 173.58 3duh s GLN 254 N 1.36 1.37 -0.39 2.72 0.74 0.13 0.35 119.66 125.95 3duh s GLN 254 Ca 0.17 -0.42 -0.05 0.00 0.05 0.00 0.00 55.36 55.12 3duh s GLN 254 Cb -0.15 -1.21 0.08 0.00 1.10 0.00 0.00 33.01 32.84 3duh s GLN 254 CO 0.08 0.13 0.18 0.08 -0.55 0.00 0.00 175.29 175.20 3duh s VAL 255 N 0.27 3.58 0.21 1.34 1.01 -0.12 -0.21 120.40 126.49 3duh s VAL 255 Ca -0.06 -1.64 0.10 0.00 0.00 0.00 0.00 61.98 60.38 3duh s VAL 255 Cb -0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3duh s VAL 255 CO 0.02 -0.48 -0.11 -1.10 0.00 0.00 0.00 175.10 173.42 3duh s GLN 256 N 1.28 1.97 0.00 2.72 -0.21 -1.02 -3.33 119.66 121.08 3duh s GLN 256 Ca 0.03 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.02 3duh s GLN 256 Cb -0.22 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.72 3duh s GLN 256 CO -0.01 0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 3duh n GLY 257 N -0.16 0.62 0.01 3.09 0.00 -1.26 -1.57 105.19 105.91 3duh n GLY 257 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3duh n GLY 257 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3duh n LYS 258 N 0.00 0.84 -1.64 1.61 -0.00 -1.26 -4.80 118.16 112.91 3duh n LYS 258 Ca 0.00 -0.11 -0.30 0.00 -0.00 0.00 0.00 58.31 57.91 3duh n LYS 258 Cb 0.00 -1.32 0.17 0.00 -0.00 0.00 0.00 35.03 33.89 3duh n LYS 258 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3duh s LYS 263 N -2.89 0.50 -0.07 -1.58 2.47 -1.26 -5.26 119.74 111.65 3duh s LYS 263 Ca -0.03 -0.10 0.05 0.00 -1.56 0.00 0.00 55.97 54.33 3duh s LYS 263 Cb 0.10 -1.80 -0.01 0.00 -1.46 0.00 0.00 37.83 34.66 3duh s LYS 263 CO 0.62 -2.55 -0.22 -1.59 0.16 0.00 0.00 175.35 171.76 3duh s LYS 264 N -5.59 2.76 0.00 4.03 0.00 -1.26 -4.77 119.74 114.90 3duh s LYS 264 Ca 0.69 -0.85 -0.22 0.00 0.00 0.00 0.00 55.97 55.60 3duh s LYS 264 Cb -0.09 -2.28 -0.05 0.00 0.00 0.00 0.00 37.83 35.41 3duh s LYS 264 CO 0.53 0.35 0.65 -0.51 0.00 0.00 0.00 175.35 176.37 3duh s ASP 265 N -0.06 7.03 -0.04 0.03 1.01 -1.21 -4.96 116.67 118.47 3duh s ASP 265 Ca -0.06 1.23 0.04 0.00 0.71 0.00 0.00 52.55 54.47 3duh s ASP 265 Cb -0.15 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 3duh s ASP 265 CO 0.05 0.05 -0.15 -0.13 0.21 0.00 0.00 175.17 175.20 3duh s ARG 266 N -0.03 1.62 -0.09 8.23 0.52 -1.26 -0.94 118.95 127.00 3duh s ARG 266 Ca 0.34 -0.54 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 3duh s ARG 266 Cb -0.19 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 33.87 3duh s ARG 266 CO 0.19 0.20 -0.21 0.08 0.02 0.00 0.00 175.30 175.58 3duh s VAL 267 N 0.12 1.81 -0.20 3.52 1.01 0.16 -4.97 120.40 121.85 3duh s VAL 267 Ca -0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3duh s VAL 267 Cb -0.11 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3duh s VAL 267 CO 0.02 0.51 0.09 -0.36 0.00 0.00 0.00 175.10 175.35 3duh s PHE 268 N 0.41 3.29 0.00 5.22 0.08 -1.26 -0.10 117.98 125.62 3duh s PHE 268 Ca -0.17 0.13 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 3duh s PHE 268 Cb -0.17 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.15 3duh s PHE 268 CO 0.07 0.16 0.15 -0.08 -0.10 0.00 0.00 175.22 175.42 3duh s THR 269 N 0.49 0.08 -0.51 0.64 -1.32 -0.71 -5.01 115.64 109.30 3duh s THR 269 Ca 0.05 -0.69 0.23 0.00 -1.21 0.00 0.00 61.69 60.07 3duh s THR 269 Cb -0.12 -0.46 0.02 0.00 -1.51 0.00 0.00 72.50 70.43 3duh s THR 269 CO 0.00 -0.38 1.20 0.44 -2.21 0.00 0.00 174.62 173.67 3duh h ASP 270 N 4.22 0.00 -4.34 8.08 3.32 -1.87 0.20 116.42 126.02 3duh h ASP 270 Ca -0.31 -0.17 -0.49 0.00 0.02 0.00 0.00 57.03 56.09 3duh h ASP 270 Cb 1.19 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.85 3duh h ASP 270 CO 0.41 0.08 0.36 -0.54 -1.72 0.00 0.00 179.24 177.83 3duh s LYS 271 N -3.23 2.22 -0.23 3.56 1.02 -1.26 -4.85 119.74 116.98 3duh s LYS 271 Ca 0.04 0.56 0.11 0.00 0.02 0.00 0.00 55.97 56.70 3duh s LYS 271 Cb 0.12 -1.94 0.69 0.00 -0.52 0.00 0.00 37.83 36.18 3duh s LYS 271 CO 0.75 -1.51 1.60 0.25 -0.92 0.00 0.00 175.35 175.52 3duh n THR 272 N -3.34 2.44 -3.83 2.17 -2.24 -1.26 -4.81 114.28 103.40 3duh n THR 272 Ca 0.07 -1.25 -0.09 0.00 -2.27 0.00 0.00 64.05 60.50 3duh n THR 272 Cb 0.57 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 3duh n THR 272 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3duh s SER 273 N -0.70 -0.01 0.06 3.42 1.04 -1.26 -1.82 113.70 114.43 3duh s SER 273 Ca 0.47 -0.62 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 3duh s SER 273 Cb 0.36 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.94 3duh s SER 273 CO 0.13 -0.83 0.43 0.00 0.98 0.00 0.00 173.24 173.96 3duh s ALA 274 N -3.88 -1.06 -0.27 5.32 0.00 -0.59 -4.99 121.76 116.30 3duh s ALA 274 Ca 0.08 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 3duh s ALA 274 Cb 0.03 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 3duh s ALA 274 CO -0.08 -0.50 0.11 0.99 0.00 0.00 0.00 175.76 176.29 3duh s THR 275 N -2.69 4.58 0.34 0.00 2.01 -1.26 -0.15 115.64 118.47 3duh s THR 275 Ca -0.04 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 61.90 3duh s THR 275 Cb -0.00 -3.19 -0.07 0.00 0.01 0.00 0.00 72.50 69.25 3duh s THR 275 CO -0.04 0.27 -0.05 0.68 -0.69 0.00 0.00 174.62 174.80 3duh s VAL 276 N 1.65 1.92 -0.34 3.82 -7.23 -0.83 -4.98 120.40 114.41 3duh s VAL 276 Ca 0.06 -2.12 -0.17 0.00 -1.81 0.00 0.00 61.98 57.95 3duh s VAL 276 Cb -0.16 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 3duh s VAL 276 CO 0.06 -0.16 0.45 -0.63 -0.31 0.00 0.00 175.10 174.50 3duh s ILE 277 N -2.81 5.08 -0.39 -0.62 -1.09 -1.26 -1.82 121.20 118.30 3duh s ILE 277 Ca 0.33 0.26 -0.24 0.00 -2.23 0.00 0.00 60.65 58.76 3duh s ILE 277 Cb 0.05 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 3duh s ILE 277 CO 0.15 -0.14 0.86 0.00 -1.23 0.00 0.00 174.94 174.58 3duh s ARG 279 N 3.35 4.28 0.00 0.00 0.52 -1.26 -4.70 118.95 121.14 3duh s ARG 279 Ca 0.35 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.83 3duh s ARG 279 Cb -0.12 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.22 3duh s ARG 279 CO 0.19 -0.43 0.66 1.63 0.02 0.00 0.00 175.30 177.38 3duh n LYS 280 N 2.64 0.80 -2.82 3.54 4.76 -1.26 -3.05 118.16 122.77 3duh n LYS 280 Ca 0.08 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.41 3duh n LYS 280 Cb 0.40 -1.21 0.04 0.00 -1.84 0.00 0.00 35.03 32.42 3duh n LYS 280 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3duh n ASN 281 N 0.41 -2.23 -3.68 4.39 4.05 -1.26 -5.01 115.26 111.93 3duh n ASN 281 Ca 0.00 -3.30 -0.06 0.00 0.45 0.00 0.00 54.58 51.67 3duh n ASN 281 Cb 0.33 1.43 -0.02 0.00 1.23 0.00 0.00 39.78 42.75 3duh n ASN 281 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3duh s ALA 282 N 0.23 -1.60 -0.02 5.20 0.00 -1.17 -4.78 121.76 119.61 3duh s ALA 282 Ca 0.31 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.61 3duh s ALA 282 Cb 0.24 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 3duh s ALA 282 CO -0.18 -0.93 -0.21 -1.54 0.00 0.00 0.00 175.76 172.90 3duh s SER 283 N -2.81 2.44 -0.20 0.00 1.04 -0.61 -1.14 113.70 112.41 3duh s SER 283 Ca 0.09 -0.38 -0.26 0.00 0.48 0.00 0.00 55.95 55.88 3duh s SER 283 Cb -0.02 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 3duh s SER 283 CO -0.01 0.24 0.90 -0.63 0.98 0.00 0.00 173.24 174.72 3duh s ILE 284 N -0.39 4.81 -0.10 -1.02 -1.09 0.55 -2.42 121.20 121.54 3duh s ILE 284 Ca 0.06 1.75 0.04 0.00 -2.23 0.00 0.00 60.65 60.26 3duh s ILE 284 Cb -0.09 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 3duh s ILE 284 CO -0.00 -0.06 -0.23 -0.44 -1.23 0.00 0.00 174.94 172.98 3duh s SER 285 N 1.22 2.97 -0.00 3.58 0.01 0.71 -1.41 113.70 120.78 3duh s SER 285 Ca 0.40 -0.54 0.08 0.00 1.31 0.00 0.00 55.95 57.20 3duh s SER 285 Cb -0.16 -1.36 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 3duh s SER 285 CO 0.10 0.14 -0.25 -0.69 0.41 0.00 0.00 173.24 172.94 3duh s VAL 286 N 0.42 2.14 -0.06 3.43 1.01 -0.47 0.21 120.40 127.08 3duh s VAL 286 Ca -0.17 -1.17 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 3duh s VAL 286 Cb -0.18 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3duh s VAL 286 CO 0.07 0.52 0.19 -0.60 0.00 0.00 0.00 175.10 175.29 3duh s ARG 287 N -0.80 0.27 0.05 2.72 3.52 -0.87 -0.88 118.95 122.98 3duh s ARG 287 Ca 0.11 0.18 0.08 0.00 -0.13 0.00 0.00 55.73 55.97 3duh s ARG 287 Cb -0.10 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 3duh s ARG 287 CO 0.00 -0.04 -0.22 0.00 -0.81 0.00 0.00 175.30 174.23 3duh s ALA 288 N -0.12 2.45 0.06 6.12 0.00 -1.26 -0.86 121.76 128.15 3duh s ALA 288 Ca -0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 3duh s ALA 288 Cb -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3duh s ALA 288 CO 0.01 0.56 0.08 -1.14 0.00 0.00 0.00 175.76 175.26 3duh s GLN 289 N -1.46 0.69 0.16 0.00 0.74 0.04 -1.10 119.66 118.73 3duh s GLN 289 Ca 0.14 -1.01 -0.33 0.00 0.05 0.00 0.00 55.36 54.21 3duh s GLN 289 Cb -0.10 0.27 -0.13 0.00 1.10 0.00 0.00 33.01 34.15 3duh s GLN 289 CO 0.04 -0.18 1.68 -3.47 -0.55 0.00 0.00 175.29 172.82 3duh n ASP 290 N 0.20 3.55 0.10 6.67 -0.08 -1.26 -0.77 116.55 124.96 3duh n ASP 290 Ca -0.16 1.06 0.05 0.00 -1.51 0.00 0.00 54.79 54.23 3duh n ASP 290 Cb 0.61 -1.49 0.49 0.00 2.34 0.00 0.00 41.12 43.07 3duh n ASP 290 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3duh h ARG 291 N 6.76 0.32 0.00 -0.67 2.43 -1.56 -3.31 114.38 118.35 3duh h ARG 291 Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3duh h ARG 291 Cb 1.23 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3duh h ARG 291 CO 0.92 0.25 -0.61 0.66 -1.51 0.00 0.00 179.97 179.68 3duh n TYR 292 N -4.46 0.00 -4.03 2.20 4.02 -1.26 -4.94 117.16 108.69 3duh n TYR 292 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 3duh n TYR 292 Cb 0.11 -0.04 -0.15 0.00 -0.02 0.00 0.00 39.34 39.24 3duh n TYR 292 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3duh s TYR 293 N -1.98 0.32 -1.55 -0.72 6.14 -1.25 -5.07 117.35 113.26 3duh s TYR 293 Ca 0.02 -0.05 -0.10 0.00 0.64 0.00 0.00 57.07 57.58 3duh s TYR 293 Cb 0.06 -0.27 -0.03 0.00 0.42 0.00 0.00 41.96 42.14 3duh s TYR 293 CO 0.36 -0.05 2.72 0.43 0.64 0.00 0.00 175.55 179.66 3duh n SER 294 N 3.35 7.73 -1.96 4.32 7.64 -1.26 -4.31 113.62 129.13 3duh n SER 294 Ca -0.17 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 56.99 3duh n SER 294 Cb 0.56 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 3duh n SER 294 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3duh n SER 295 N 3.75 0.00 -4.76 6.43 3.41 -1.26 -5.04 113.62 116.15 3duh n SER 295 Ca 0.71 -0.66 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 3duh n SER 295 Cb 0.26 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 3duh n SER 295 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3duh s SER 296 N -1.00 7.05 0.42 4.04 0.01 -0.60 -4.82 113.70 118.79 3duh s SER 296 Ca 0.00 2.45 -0.25 0.00 1.31 0.00 0.00 55.95 59.46 3duh s SER 296 Cb 0.00 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 3duh s SER 296 CO 0.00 -0.32 1.23 0.26 0.41 0.00 0.00 173.24 174.81 3duh s TRP 297 N -1.07 2.90 1.16 2.43 0.52 -1.26 -4.14 118.94 119.48 3duh s TRP 297 Ca 0.47 1.49 -0.17 0.00 0.02 0.00 0.00 56.10 57.91 3duh s TRP 297 Cb -0.35 -3.52 0.27 0.00 -1.15 0.00 0.00 33.47 28.72 3duh s TRP 297 CO 0.46 -1.72 1.08 -1.54 0.02 0.00 0.00 176.95 175.24 3duh s SER 298 N -1.01 1.22 0.53 2.95 1.04 -0.26 -4.78 113.70 113.40 3duh s SER 298 Ca 0.59 0.90 -0.19 0.00 0.48 0.00 0.00 55.95 57.72 3duh s SER 298 Cb -0.34 -1.34 -0.06 0.00 0.10 0.00 0.00 66.02 64.38 3duh s SER 298 CO 0.42 -3.96 1.10 -1.61 0.98 0.00 0.00 173.24 170.17 3duh s GLU 299 N -5.15 3.45 0.60 4.02 0.41 -1.26 -4.69 118.70 116.09 3duh s GLU 299 Ca 0.69 1.52 -0.20 0.00 -0.41 0.00 0.00 54.97 56.57 3duh s GLU 299 Cb -0.14 -2.03 -0.03 0.00 -1.78 0.00 0.00 34.13 30.15 3duh s GLU 299 CO 0.58 -0.75 1.30 -1.58 -0.49 0.00 0.00 175.26 174.32 3duh s TRP 300 N -1.87 2.22 -0.22 1.61 0.52 -1.26 -4.21 118.94 115.71 3duh s TRP 300 Ca 0.71 1.45 -0.06 0.00 0.02 0.00 0.00 56.10 58.22 3duh s TRP 300 Cb -0.21 -3.69 -0.02 0.00 -1.15 0.00 0.00 33.47 28.39 3duh s TRP 300 CO 0.26 -2.78 0.03 0.00 0.02 0.00 0.00 176.95 174.48 3duh s ALA 301 N -1.39 3.06 0.14 0.98 0.00 -0.06 -4.92 121.76 119.58 3duh s ALA 301 Ca 0.77 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.73 3duh s ALA 301 Cb -0.37 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3duh s ALA 301 CO 0.41 -0.34 -0.02 -1.12 0.00 0.00 0.00 175.76 174.70 3duh s SER 302 N 1.34 4.77 -0.21 0.00 0.01 -1.26 -1.36 113.70 116.98 3duh s SER 302 Ca 0.04 -0.34 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 3duh s SER 302 Cb -0.15 -1.03 0.07 0.00 0.21 0.00 0.00 66.02 65.13 3duh s SER 302 CO 0.02 0.12 0.50 0.54 0.41 0.00 0.00 173.24 174.83 3duh s VAL 303 N -1.55 -0.16 0.61 3.43 0.11 -0.50 -5.00 120.40 117.33 3duh s VAL 303 Ca 0.26 0.07 -0.16 0.00 -2.93 0.00 0.00 61.98 59.22 3duh s VAL 303 Cb -0.10 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 3duh s VAL 303 CO 0.18 0.03 1.09 -2.16 -3.33 0.00 0.00 175.10 170.90 3duh s PRO 304 N 1.72 3.14 0.00 1.54 0.04 -1.26 -0.33 135.00 139.85 3duh s PRO 304 Ca -0.08 1.33 0.17 0.00 0.04 0.00 0.00 61.00 62.46 3duh s PRO 304 Cb -0.08 -2.00 1.04 0.00 0.04 0.00 0.00 34.50 33.50 3duh s PRO 304 CO -0.15 -0.97 1.44 0.00 0.04 0.00 0.00 177.00 177.35