#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sww s ILE 6 N 0.00 4.71 -0.12 -0.18 -1.09 -1.26 -4.55 121.20 118.70 1sww s ILE 6 Ca 0.00 1.62 0.22 0.00 -2.23 0.00 0.00 60.65 60.26 1sww s ILE 6 Cb 0.00 -4.24 -0.30 0.00 -1.58 0.00 0.00 42.46 36.33 1sww s ILE 6 CO 0.00 -0.25 0.56 -0.62 -1.23 0.00 0.00 174.94 173.40 1sww n GLU 7 N 6.35 0.61 -3.71 2.79 1.02 0.16 -4.93 120.64 122.92 1sww n GLU 7 Ca 0.08 -0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 56.93 1sww n GLU 7 Cb 0.47 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 1sww n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sww s ALA 8 N -3.47 -0.93 -0.09 0.62 0.00 -1.14 -0.91 121.76 115.84 1sww s ALA 8 Ca -0.06 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1sww s ALA 8 Cb 0.14 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1sww s ALA 8 CO 0.90 -0.33 -0.20 0.08 0.00 0.00 0.00 175.76 176.20 1sww s VAL 9 N -1.68 1.79 -0.28 0.00 1.01 -0.91 -1.33 120.40 119.00 1sww s VAL 9 Ca -0.11 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1sww s VAL 9 Cb -0.03 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1sww s VAL 9 CO 0.03 0.50 0.11 -0.63 0.00 0.00 0.00 175.10 175.11 1sww s ILE 10 N 0.48 4.44 -0.02 2.22 -1.09 0.22 -0.88 121.20 126.57 1sww s ILE 10 Ca -0.17 -0.32 -0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1sww s ILE 10 Cb -0.17 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1sww s ILE 10 CO 0.07 0.19 0.17 -0.36 -1.23 0.00 0.00 174.94 173.77 1sww s PHE 11 N 1.61 3.52 0.91 3.97 0.40 0.07 -1.02 117.98 127.44 1sww s PHE 11 Ca 0.05 0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 56.59 1sww s PHE 11 Cb -0.16 -1.83 0.15 0.00 0.51 0.00 0.00 43.02 41.69 1sww s PHE 11 CO 0.05 0.64 1.25 0.00 0.70 0.00 0.00 175.22 177.86 1sww s ALA 12 N -1.28 2.30 0.00 5.36 0.00 -0.83 -1.28 121.76 126.03 1sww s ALA 12 Ca 0.26 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1sww s ALA 12 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1sww s ALA 12 CO 0.17 -2.19 0.00 0.91 0.00 0.00 0.00 175.76 174.65 1sww n TRP 13 N -3.64 0.00 -1.73 0.00 7.02 -1.23 -3.87 117.44 113.99 1sww n TRP 13 Ca 0.12 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.18 1sww n TRP 13 Cb 0.60 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.48 1sww n TRP 13 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sww n ALA 14 N -2.13 1.84 -0.78 6.99 0.00 -1.26 0.13 120.51 125.30 1sww n ALA 14 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1sww n ALA 14 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 1sww n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sww n GLY 15 N 1.02 0.52 1.34 0.00 0.00 -0.41 -4.67 105.19 103.00 1sww n GLY 15 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1sww n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sww n THR 16 N -2.03 0.00 -0.03 2.61 -1.04 -0.21 -3.94 114.28 109.64 1sww n THR 16 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1sww n THR 16 Cb 0.01 -0.89 -0.05 0.00 -1.82 0.00 0.00 70.33 67.59 1sww n THR 16 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sww n THR 17 N -2.65 0.40 -4.29 12.58 -2.24 0.12 -4.86 114.28 113.35 1sww n THR 17 Ca 0.00 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1sww n THR 17 Cb 0.24 -0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 67.53 1sww n THR 17 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1sww s VAL 18 N -2.14 0.62 -0.38 2.28 -7.23 -0.93 -0.28 120.40 112.35 1sww s VAL 18 Ca -0.03 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 1sww s VAL 18 Cb 0.02 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.54 1sww s VAL 18 CO 0.23 -0.19 0.41 -0.67 -0.31 0.00 0.00 175.10 174.58 1sww n ASP 19 N -0.38 -7.63 -4.64 4.85 -0.08 -0.89 -1.28 116.55 106.50 1sww n ASP 19 Ca -0.03 0.70 -0.42 0.00 -1.51 0.00 0.00 54.79 53.53 1sww n ASP 19 Cb 0.65 -4.75 -0.03 0.00 2.34 0.00 0.00 41.12 39.33 1sww n ASP 19 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1sww s TYR 20 N -2.13 1.44 0.00 -0.67 6.14 -1.26 -0.83 117.35 120.04 1sww s TYR 20 Ca 0.18 0.06 0.00 0.00 0.64 0.00 0.00 57.07 57.96 1sww s TYR 20 Cb -0.04 -4.08 0.00 0.00 0.42 0.00 0.00 41.96 38.26 1sww s TYR 20 CO 0.75 -4.54 0.00 0.41 0.64 0.00 0.00 175.55 172.81 1sww n GLY 21 N 4.90 0.75 3.80 8.97 0.00 0.86 -4.44 105.19 120.04 1sww n GLY 21 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1sww n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sww h PHE 23 N -1.95 0.00 -0.55 0.00 -1.00 -1.79 -3.38 116.94 108.27 1sww h PHE 23 Ca -0.66 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.23 1sww h PHE 23 Cb 1.37 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.82 1sww h PHE 23 CO 0.33 0.34 -0.23 0.00 -1.61 0.00 0.00 178.31 177.14 1sww h ALA 24 N 1.66 0.17 0.00 2.45 0.00 -1.93 -2.48 119.26 119.13 1sww h ALA 24 Ca -0.09 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1sww h ALA 24 Cb 1.34 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1sww h ALA 24 CO 0.03 -0.55 -0.64 -1.35 0.00 0.00 0.00 179.25 176.74 1sww h PRO 25 N -0.10 0.00 0.07 0.00 0.11 -1.99 -3.38 132.00 126.71 1sww h PRO 25 Ca 0.25 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.38 1sww h PRO 25 Cb 0.49 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.55 1sww h PRO 25 CO -0.62 0.60 -0.49 1.25 -0.21 0.00 0.00 178.00 178.54 1sww h LEU 26 N 0.00 -1.49 -1.19 2.35 5.85 -1.62 0.42 115.31 119.63 1sww h LEU 26 Ca -0.01 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1sww h LEU 26 Cb 1.48 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 43.06 1sww h LEU 26 CO 0.08 -0.52 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.18 1sww h GLU 27 N -0.69 0.00 -0.34 1.25 4.57 -1.75 -2.71 114.58 114.91 1sww h GLU 27 Ca 0.02 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.04 1sww h GLU 27 Cb 0.72 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1sww h GLU 27 CO -0.31 0.39 -0.41 0.28 -1.18 0.00 0.00 179.01 177.79 1sww h VAL 28 N 0.00 1.28 -0.80 0.32 2.07 -1.66 -0.54 116.25 116.92 1sww h VAL 28 Ca -0.00 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1sww h VAL 28 Cb 0.74 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1sww h VAL 28 CO 0.05 0.52 0.48 -0.26 0.02 0.00 0.00 177.57 178.38 1sww h PHE 29 N 0.68 1.06 -0.18 1.57 0.04 -0.72 -2.22 116.94 117.17 1sww h PHE 29 Ca 0.05 -0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.61 1sww h PHE 29 Cb 1.00 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1sww h PHE 29 CO 0.07 0.71 -0.69 0.52 -0.60 0.00 0.00 178.31 178.32 1sww h MET 30 N 1.10 0.72 -0.35 1.51 2.86 -1.40 -3.28 114.93 116.09 1sww h MET 30 Ca 0.29 -0.54 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1sww h MET 30 Cb -0.03 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1sww h MET 30 CO -0.05 1.16 0.09 1.49 1.06 0.00 0.00 176.91 180.66 1sww h GLU 31 N 0.52 0.22 0.00 1.72 4.57 -0.78 -0.03 114.58 120.80 1sww h GLU 31 Ca -0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1sww h GLU 31 Cb 1.29 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1sww h GLU 31 CO 0.14 0.15 -0.00 -0.84 -1.18 0.00 0.00 179.01 177.27 1sww h ILE 32 N 0.23 0.01 0.02 2.32 3.07 -1.47 -2.64 117.51 119.06 1sww h ILE 32 Ca 0.16 -0.31 -0.34 0.00 1.55 0.00 0.00 64.86 65.92 1sww h ILE 32 Cb 0.16 1.30 -0.05 0.00 -0.27 0.00 0.00 36.82 37.96 1sww h ILE 32 CO -0.19 0.00 -2.08 0.49 -1.05 0.00 0.00 178.15 175.32 1sww n PHE 33 N -3.10 0.60 -0.18 0.16 3.01 -0.88 -4.35 117.46 112.73 1sww n PHE 33 Ca -0.01 0.18 -0.08 0.00 1.01 0.00 0.00 57.45 58.55 1sww n PHE 33 Cb 0.21 -1.10 0.02 0.00 -0.01 0.00 0.00 39.48 38.60 1sww n PHE 33 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1sww h HIS 34 N 0.01 0.74 0.00 1.38 2.76 -0.80 -2.34 115.15 116.90 1sww h HIS 34 Ca -0.44 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1sww h HIS 34 Cb 2.07 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 30.80 1sww h HIS 34 CO 0.02 0.58 0.00 1.17 -1.30 0.00 0.00 177.93 178.40 1sww n LYS 35 N -4.60 0.13 0.00 5.26 4.81 -1.01 -1.55 118.16 121.20 1sww n LYS 35 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1sww n LYS 35 Cb 0.12 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1sww n LYS 35 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sww n ARG 36 N -0.74 0.75 0.00 1.64 1.74 -0.92 -5.02 116.66 114.11 1sww n ARG 36 Ca 0.01 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.38 1sww n ARG 36 Cb 0.01 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 1sww n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sww n GLY 37 N -0.13 3.10 3.57 -0.13 0.00 -0.59 -4.95 105.19 106.05 1sww n GLY 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1sww n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sww s VAL 38 N -2.94 4.22 -1.17 1.61 1.01 -1.00 -4.96 120.40 117.18 1sww s VAL 38 Ca 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 1sww s VAL 38 Cb 0.00 -4.61 0.22 0.00 0.00 0.00 0.00 36.38 31.99 1sww s VAL 38 CO 0.00 -1.12 1.29 0.00 0.00 0.00 0.00 175.10 175.27 1sww s ALA 39 N 4.41 4.33 0.73 5.51 0.00 -1.26 -2.93 121.76 132.54 1sww s ALA 39 Ca 0.41 -3.58 -0.13 0.00 0.00 0.00 0.00 51.96 48.66 1sww s ALA 39 Cb -0.09 -3.88 0.04 0.00 0.00 0.00 0.00 23.12 19.19 1sww s ALA 39 CO 0.26 -2.52 1.12 0.96 0.00 0.00 0.00 175.76 175.58 1sww s ILE 40 N 0.31 3.02 0.57 0.00 -4.36 -1.26 -5.03 121.20 114.45 1sww s ILE 40 Ca 0.37 0.42 -0.01 0.00 -0.26 0.00 0.00 60.65 61.17 1sww s ILE 40 Cb -0.06 -2.89 0.03 0.00 1.25 0.00 0.00 42.46 40.79 1sww s ILE 40 CO -0.04 -0.35 0.82 0.42 0.24 0.00 0.00 174.94 176.04 1sww s THR 41 N -2.48 2.87 0.30 8.37 -4.23 -1.26 -4.97 115.64 114.25 1sww s THR 41 Ca 0.66 -0.51 0.06 0.00 -1.18 0.00 0.00 61.69 60.72 1sww s THR 41 Cb -0.21 -3.11 0.06 0.00 1.34 0.00 0.00 72.50 70.58 1sww s THR 41 CO 0.48 -0.09 1.73 0.00 -0.54 0.00 0.00 174.62 176.20 1sww h ALA 42 N -0.03 1.16 -0.31 3.99 0.00 -1.97 -1.88 119.26 120.21 1sww h ALA 42 Ca -0.43 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1sww h ALA 42 Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1sww h ALA 42 CO 0.55 0.55 -0.30 0.93 0.00 0.00 0.00 179.25 180.98 1sww h GLU 43 N 0.26 0.66 -0.06 0.00 3.07 -1.98 -1.41 114.58 115.12 1sww h GLU 43 Ca 0.03 -0.29 -0.25 0.00 -0.50 0.00 0.00 59.36 58.35 1sww h GLU 43 Cb 0.72 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.63 1sww h GLU 43 CO 0.06 0.88 -0.93 0.93 -1.40 0.00 0.00 179.01 178.54 1sww h GLU 44 N 0.56 0.71 0.00 2.33 5.08 -1.92 -2.62 114.58 118.73 1sww h GLU 44 Ca 0.07 -0.69 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 1sww h GLU 44 Cb 0.80 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1sww h GLU 44 CO 0.07 1.28 -0.09 0.00 -1.00 0.00 0.00 179.01 179.27 1sww h ALA 45 N 0.50 1.65 0.00 3.43 0.00 -1.11 -2.31 119.26 121.42 1sww h ALA 45 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sww h ALA 45 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1sww h ALA 45 CO 0.18 0.11 -0.83 0.00 0.00 0.00 0.00 179.25 178.72 1sww h ARG 46 N 0.00 0.00 -0.34 0.00 3.08 -1.19 -3.41 114.38 112.53 1sww h ARG 46 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1sww h ARG 46 Cb 0.17 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 1sww h ARG 46 CO 0.01 0.00 -0.10 -0.22 -1.07 0.00 0.00 179.97 178.60 1sww h LYS 47 N 0.00 -0.02 -0.65 0.04 3.64 -1.02 -2.28 116.57 116.28 1sww h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sww h LYS 47 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1sww h LYS 47 CO 0.00 -0.01 0.00 -0.35 -2.27 0.00 0.00 179.45 176.82 1sww n PRO 48 N -5.28 2.93 -1.68 1.90 -0.04 -1.26 -4.83 135.00 126.74 1sww n PRO 48 Ca 0.01 -1.81 -0.45 0.00 -0.04 0.00 0.00 63.50 61.20 1sww n PRO 48 Cb 0.20 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.86 1sww n PRO 48 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1sww n MET 49 N 0.53 2.22 0.00 0.54 1.56 -0.86 -2.69 117.12 118.41 1sww n MET 49 Ca 0.16 0.80 0.00 0.00 -0.27 0.00 0.00 57.70 58.39 1sww n MET 49 Cb 0.68 -2.57 0.00 0.00 2.15 0.00 0.00 33.22 33.48 1sww n MET 49 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sww n GLY 50 N 3.36 1.59 3.78 -5.12 0.00 -1.26 -4.31 105.19 103.22 1sww n GLY 50 Ca 0.16 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1sww n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sww s LEU 51 N 0.00 2.11 0.31 0.99 1.43 -1.10 -3.88 118.68 118.55 1sww s LEU 51 Ca 0.00 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.90 1sww s LEU 51 Cb 0.00 -3.47 -0.13 0.00 0.03 0.00 0.00 46.19 42.63 1sww s LEU 51 CO 0.00 -2.48 1.32 -0.11 0.23 0.00 0.00 176.35 175.30 1sww n LEU 52 N -3.74 3.41 -0.32 1.79 7.94 -1.26 -4.62 117.00 120.20 1sww n LEU 52 Ca 0.06 1.19 0.15 0.00 -1.11 0.00 0.00 56.01 56.31 1sww n LEU 52 Cb 0.58 -1.47 0.34 0.00 0.53 0.00 0.00 43.42 43.41 1sww n LEU 52 CO 0.57 -0.50 1.10 0.11 -1.11 0.00 0.00 177.39 177.56 1sww h LYS 53 N 2.99 0.47 -0.25 1.96 1.79 -1.86 0.57 116.57 122.23 1sww h LYS 53 Ca -0.46 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 57.86 1sww h LYS 53 Cb 1.28 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1sww h LYS 53 CO 0.66 0.31 -0.38 0.97 -1.08 0.00 0.00 179.45 179.93 1sww h ILE 54 N 0.48 1.29 -0.13 1.86 2.10 -1.90 -1.24 117.51 119.98 1sww h ILE 54 Ca 0.60 -1.52 -0.08 0.00 1.08 0.00 0.00 64.86 64.93 1sww h ILE 54 Cb 1.14 1.51 -0.01 0.00 -1.09 0.00 0.00 36.82 38.36 1sww h ILE 54 CO -0.50 0.48 -0.30 0.44 -1.08 0.00 0.00 178.15 177.19 1sww h ASP 55 N 0.48 0.25 -0.39 2.19 3.32 -1.33 -2.01 116.42 118.93 1sww h ASP 55 Ca 0.05 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1sww h ASP 55 Cb 0.87 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1sww h ASP 55 CO 0.07 0.55 -0.08 -0.74 -1.72 0.00 0.00 179.24 177.32 1sww h HIS 56 N 0.22 0.83 -0.27 4.55 2.76 -0.38 0.12 115.15 122.97 1sww h HIS 56 Ca 0.03 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1sww h HIS 56 Cb 0.64 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1sww h HIS 56 CO 0.01 0.87 0.18 0.28 -1.30 0.00 0.00 177.93 177.96 1sww h VAL 57 N 0.55 1.08 -0.25 5.26 2.07 -0.92 -1.41 116.25 122.63 1sww h VAL 57 Ca 0.10 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1sww h VAL 57 Cb 0.59 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1sww h VAL 57 CO 0.03 0.08 0.15 -0.09 0.02 0.00 0.00 177.57 177.76 1sww h ARG 58 N 0.36 0.33 -0.96 1.57 2.43 -1.23 -1.98 114.38 114.90 1sww h ARG 58 Ca 0.10 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1sww h ARG 58 Cb -0.02 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 1sww h ARG 58 CO -0.02 0.26 0.62 0.00 -1.51 0.00 0.00 179.97 179.32 1sww h ALA 59 N 1.05 1.52 -0.32 2.80 0.00 -0.53 -0.88 119.26 122.90 1sww h ALA 59 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1sww h ALA 59 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1sww h ALA 59 CO -0.02 0.29 0.11 -0.07 0.00 0.00 0.00 179.25 179.56 1sww h LEU 60 N 1.02 0.46 -1.65 0.00 3.38 -0.66 -1.91 115.31 115.96 1sww h LEU 60 Ca 0.44 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1sww h LEU 60 Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sww h LEU 60 CO -0.20 0.53 0.00 0.71 0.09 0.00 0.00 178.44 179.58 1sww h THR 61 N 0.37 0.00 0.05 0.22 1.35 -0.61 -2.50 112.91 111.78 1sww h THR 61 Ca 0.10 -0.25 -0.23 0.00 -0.55 0.00 0.00 66.41 65.49 1sww h THR 61 Cb 0.23 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1sww h THR 61 CO -0.00 0.00 -1.05 -0.08 -0.25 0.00 0.00 175.52 174.14 1sww h GLU 62 N 0.00 0.19 -6.46 4.72 4.57 -0.40 -3.36 114.58 113.84 1sww h GLU 62 Ca 0.00 -0.27 -0.57 0.00 -1.18 0.00 0.00 59.36 57.34 1sww h GLU 62 Cb 0.28 0.09 0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1sww h GLU 62 CO 0.00 1.07 1.00 -1.33 -1.18 0.00 0.00 179.01 178.58 1sww n MET 63 N -3.54 2.44 -0.27 1.92 2.81 -0.94 -4.80 117.12 114.74 1sww n MET 63 Ca -0.05 0.89 -0.08 0.00 -1.81 0.00 0.00 57.70 56.65 1sww n MET 63 Cb 0.92 -2.73 -0.04 0.00 -0.71 0.00 0.00 33.22 30.66 1sww n MET 63 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1sww h PRO 64 N 7.76 -0.16 -0.96 0.03 0.11 -1.88 0.25 132.00 137.14 1sww h PRO 64 Ca -0.46 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1sww h PRO 64 Cb 1.24 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1sww h PRO 64 CO 0.93 -0.11 0.59 -0.09 -0.21 0.00 0.00 178.00 179.11 1sww h ARG 65 N -0.17 0.90 0.03 1.05 1.12 -1.95 1.15 114.38 116.51 1sww h ARG 65 Ca 0.19 -0.05 -0.23 0.00 -1.11 0.00 0.00 59.98 58.78 1sww h ARG 65 Cb 0.54 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1sww h ARG 65 CO -0.77 0.60 -1.00 0.82 -3.11 0.00 0.00 179.97 176.50 1sww h ILE 66 N 0.93 1.46 -0.03 1.20 2.04 -1.54 -2.98 117.51 118.59 1sww h ILE 66 Ca 0.48 -2.67 -0.17 0.00 1.00 0.00 0.00 64.86 63.50 1sww h ILE 66 Cb 0.50 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1sww h ILE 66 CO -0.27 0.79 -0.76 0.00 0.00 0.00 0.00 178.15 177.90 1sww h ALA 67 N 0.77 0.67 0.10 1.87 0.00 0.37 -3.00 119.26 120.04 1sww h ALA 67 Ca -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.19 1sww h ALA 67 Cb 1.66 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1sww h ALA 67 CO 0.17 0.84 -0.19 1.03 0.00 0.00 0.00 179.25 181.09 1sww h SER 68 N 0.13 -0.54 0.00 0.00 0.87 0.13 -1.49 113.55 112.66 1sww h SER 68 Ca -0.03 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1sww h SER 68 Cb 1.33 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1sww h SER 68 CO 0.12 -0.27 0.00 1.21 -0.53 0.00 0.00 176.83 177.35 1sww n GLU 69 N -5.32 0.00 -0.27 2.24 4.07 -1.13 -2.35 120.64 117.88 1sww n GLU 69 Ca -0.07 0.51 0.10 0.00 -0.06 0.00 0.00 57.16 57.64 1sww n GLU 69 Cb 0.23 -1.42 0.20 0.00 -0.06 0.00 0.00 31.44 30.40 1sww n GLU 69 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 1sww n TRP 70 N -1.92 0.44 0.33 4.31 -0.00 -1.13 -0.18 117.44 119.29 1sww n TRP 70 Ca 0.00 0.94 -0.16 0.00 -0.00 0.00 0.00 57.50 58.28 1sww n TRP 70 Cb 0.00 -1.05 -0.08 0.00 -0.00 0.00 0.00 31.31 30.18 1sww n TRP 70 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1sww h ASN 71 N 0.00 -0.70 -0.41 5.87 -1.24 -1.20 -1.30 115.58 116.61 1sww h ASN 71 Ca 0.45 -0.02 0.12 0.00 0.71 0.00 0.00 56.30 57.55 1sww h ASN 71 Cb 0.87 0.18 -0.02 0.00 0.73 0.00 0.00 38.32 40.09 1sww h ASN 71 CO -0.75 -0.40 0.30 -0.09 -1.29 0.00 0.00 177.43 175.20 1sww h ARG 72 N -0.97 0.00 0.00 6.67 2.43 -0.17 0.41 114.38 122.75 1sww h ARG 72 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1sww h ARG 72 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1sww h ARG 72 CO 0.14 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.88 1sww n VAL 73 N -4.38 0.00 0.47 0.20 0.31 0.17 -4.23 118.33 110.86 1sww n VAL 73 Ca 0.07 0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.46 1sww n VAL 73 Cb 0.49 -0.08 0.19 0.00 -0.91 0.00 0.00 33.84 33.53 1sww n VAL 73 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1sww n PHE 74 N -0.54 0.00 -1.01 3.52 3.72 -0.51 -4.79 117.46 117.85 1sww n PHE 74 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1sww n PHE 74 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1sww n PHE 74 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1sww n ARG 75 N -0.93 -1.04 -3.52 -1.08 5.12 0.14 -4.95 116.66 110.40 1sww n ARG 75 Ca 0.05 0.29 -0.12 0.00 -1.93 0.00 0.00 57.85 56.14 1sww n ARG 75 Cb 0.02 -4.09 -0.04 0.00 -1.16 0.00 0.00 32.46 27.20 1sww n ARG 75 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1sww s GLN 76 N -1.13 1.15 0.52 5.56 -2.07 -0.80 -4.93 119.66 117.96 1sww s GLN 76 Ca 0.00 -0.44 -0.14 0.00 -1.82 0.00 0.00 55.36 52.96 1sww s GLN 76 Cb 0.00 0.53 -0.07 0.00 -1.09 0.00 0.00 33.01 32.38 1sww s GLN 76 CO 0.00 -0.47 0.95 -0.51 -1.32 0.00 0.00 175.29 173.95 1sww s LEU 77 N -2.50 3.56 0.30 2.60 1.02 -1.26 -3.10 118.68 119.30 1sww s LEU 77 Ca -0.01 1.44 -0.28 0.00 0.02 0.00 0.00 54.13 55.30 1sww s LEU 77 Cb -0.00 -4.39 -0.14 0.00 0.02 0.00 0.00 46.19 41.68 1sww s LEU 77 CO -0.09 -0.62 1.08 -2.65 0.02 0.00 0.00 176.35 174.09 1sww n PRO 78 N -1.84 1.54 -4.57 1.29 -0.02 -1.26 -4.97 135.00 125.16 1sww n PRO 78 Ca 0.06 0.54 -0.27 0.00 -2.02 0.00 0.00 63.50 61.81 1sww n PRO 78 Cb 0.54 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.95 1sww n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sww s THR 79 N -1.05 2.05 0.64 3.45 2.01 -1.26 -4.99 115.64 116.49 1sww s THR 79 Ca 0.58 -2.09 0.27 0.00 0.31 0.00 0.00 61.69 60.75 1sww s THR 79 Cb -0.67 -2.82 0.30 0.00 0.01 0.00 0.00 72.50 69.32 1sww s THR 79 CO 0.60 -0.10 1.80 -0.33 -0.69 0.00 0.00 174.62 175.91 1sww h GLU 80 N 1.91 0.00 -0.08 4.92 4.39 -2.00 0.18 114.58 123.91 1sww h GLU 80 Ca -0.43 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.14 1sww h GLU 80 Cb 1.24 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1sww h GLU 80 CO 0.75 0.00 -0.48 0.00 -1.16 0.00 0.00 179.01 178.12 1sww h ALA 81 N 1.22 0.17 -0.32 3.43 0.00 -1.99 -2.39 119.26 119.38 1sww h ALA 81 Ca 0.09 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1sww h ALA 81 Cb 1.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1sww h ALA 81 CO -0.00 0.34 -0.17 -0.44 0.00 0.00 0.00 179.25 178.98 1sww h ASP 82 N 0.03 0.57 0.16 0.00 3.32 -1.04 -1.61 116.42 117.85 1sww h ASP 82 Ca -0.04 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1sww h ASP 82 Cb 1.14 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1sww h ASP 82 CO 0.10 0.75 -0.08 0.40 -1.72 0.00 0.00 179.24 178.69 1sww h ILE 83 N 0.52 0.95 -0.85 0.35 2.04 -1.48 -2.61 117.51 116.44 1sww h ILE 83 Ca 0.09 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.05 1sww h ILE 83 Cb 0.59 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1sww h ILE 83 CO 0.04 0.21 0.55 -0.61 0.00 0.00 0.00 178.15 178.34 1sww h GLN 84 N -0.72 0.92 -0.24 2.37 5.75 -1.41 -0.27 115.11 121.51 1sww h GLN 84 Ca -0.02 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 1sww h GLN 84 Cb 0.51 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1sww h GLN 84 CO 0.04 0.61 -0.17 1.49 -2.65 0.00 0.00 178.83 178.14 1sww h GLU 85 N 0.94 0.54 -0.27 1.69 4.81 -1.34 -1.70 114.58 119.26 1sww h GLU 85 Ca 0.36 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1sww h GLU 85 Cb 0.21 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1sww h GLU 85 CO -0.13 0.83 -0.39 0.52 -0.73 0.00 0.00 179.01 179.11 1sww h MET 86 N 0.24 0.62 -0.29 1.92 2.86 -1.03 -2.55 114.93 116.70 1sww h MET 86 Ca 0.05 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.30 1sww h MET 86 Cb 0.70 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1sww h MET 86 CO 0.05 0.90 -0.16 -0.92 1.06 0.00 0.00 176.91 177.84 1sww h TYR 87 N 0.51 0.56 -0.23 -0.22 3.20 -1.04 0.32 116.97 120.08 1sww h TYR 87 Ca 0.05 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1sww h TYR 87 Cb 0.90 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1sww h TYR 87 CO 0.04 0.65 0.15 1.49 -1.64 0.00 0.00 178.16 178.85 1sww h GLU 88 N 0.47 0.31 -0.33 1.82 4.81 -1.07 0.66 114.58 121.25 1sww h GLU 88 Ca 0.08 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1sww h GLU 88 Cb 0.55 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1sww h GLU 88 CO 0.04 0.21 -0.29 0.93 -0.73 0.00 0.00 179.01 179.17 1sww h GLU 89 N 0.31 0.70 -0.50 1.92 5.08 -1.05 -2.43 114.58 118.60 1sww h GLU 89 Ca 0.08 -0.31 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1sww h GLU 89 Cb -0.02 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 1sww h GLU 89 CO -0.02 0.90 0.13 0.35 -1.00 0.00 0.00 179.01 179.38 1sww h PHE 90 N 0.60 0.23 -0.16 4.33 3.57 0.45 -0.88 116.94 125.07 1sww h PHE 90 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1sww h PHE 90 Cb 0.79 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1sww h PHE 90 CO 0.04 0.04 0.05 0.93 -2.23 0.00 0.00 178.31 177.14 1sww h GLU 91 N 0.29 0.25 -0.98 1.11 5.08 -0.59 0.35 114.58 120.09 1sww h GLU 91 Ca 0.25 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1sww h GLU 91 Cb 0.31 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1sww h GLU 91 CO -0.29 0.38 0.65 0.93 -1.00 0.00 0.00 179.01 179.67 1sww h GLU 92 N 0.08 1.21 0.16 2.33 5.08 -1.08 0.22 114.58 122.59 1sww h GLU 92 Ca 0.05 -0.07 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1sww h GLU 92 Cb 0.23 -0.27 0.02 0.00 0.50 0.00 0.00 28.75 29.23 1sww h GLU 92 CO -0.00 0.80 -1.30 0.82 -1.00 0.00 0.00 179.01 178.33 1sww h ILE 93 N 1.25 1.39 0.01 3.13 2.04 -1.04 -3.28 117.51 121.01 1sww h ILE 93 Ca 0.39 -2.80 -0.00 0.00 1.00 0.00 0.00 64.86 63.45 1sww h ILE 93 Cb -0.01 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1sww h ILE 93 CO -0.12 0.83 -0.01 0.25 0.00 0.00 0.00 178.15 179.11 1sww h LEU 94 N 0.14 -0.02 -1.44 1.44 6.46 0.10 -3.16 115.31 118.83 1sww h LEU 94 Ca -0.18 -0.24 0.10 0.00 -0.12 0.00 0.00 57.88 57.44 1sww h LEU 94 Cb 2.00 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.89 1sww h LEU 94 CO 0.23 0.23 0.49 -0.26 -0.62 0.00 0.00 178.44 178.52 1sww h PHE 95 N -0.27 0.66 -0.34 1.25 0.04 -0.70 0.20 116.94 117.79 1sww h PHE 95 Ca -0.00 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 1sww h PHE 95 Cb 0.26 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1sww h PHE 95 CO 0.01 0.30 -0.25 0.00 -0.60 0.00 0.00 178.31 177.78 1sww h ALA 96 N 1.63 0.93 0.00 2.45 0.00 -1.61 -3.29 119.26 119.38 1sww h ALA 96 Ca 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sww h ALA 96 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sww h ALA 96 CO -0.12 0.61 -1.86 0.44 0.00 0.00 0.00 179.25 178.32 1sww n ILE 97 N -4.11 0.05 -0.32 0.00 -5.35 -0.99 -4.61 119.36 104.02 1sww n ILE 97 Ca -0.00 -0.47 0.18 0.00 -0.27 0.00 0.00 62.75 62.19 1sww n ILE 97 Cb 0.43 0.04 0.36 0.00 -1.74 0.00 0.00 39.64 38.73 1sww n ILE 97 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1sww h LEU 98 N 0.00 -0.13 -2.25 7.28 5.85 -0.68 0.33 115.31 125.72 1sww h LEU 98 Ca 0.00 0.25 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1sww h LEU 98 Cb 0.97 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1sww h LEU 98 CO 0.00 -0.30 0.20 -0.65 -0.34 0.00 0.00 178.44 177.35 1sww h PRO 99 N 0.08 0.00 0.00 5.25 0.11 -1.82 -0.20 132.00 135.42 1sww h PRO 99 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 1sww h PRO 99 Cb 1.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1sww h PRO 99 CO -0.80 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 176.95 1sww h ARG 100 N 0.00 0.00 -1.03 1.05 3.08 -0.66 -3.35 114.38 113.47 1sww h ARG 100 Ca 0.08 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.53 1sww h ARG 100 Cb 0.48 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.14 1sww h ARG 100 CO -0.00 0.00 -0.31 0.66 -1.07 0.00 0.00 179.97 179.25 1sww n TYR 101 N -2.50 2.99 -1.08 3.04 4.01 -0.09 -4.56 117.16 118.97 1sww n TYR 101 Ca 0.05 -2.57 0.08 0.00 -0.16 0.00 0.00 57.90 55.31 1sww n TYR 101 Cb 0.46 -0.59 0.12 0.00 -0.31 0.00 0.00 39.34 39.02 1sww n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sww n ALA 102 N -0.70 2.21 -2.67 -0.72 0.00 -1.25 -3.97 120.51 113.41 1sww n ALA 102 Ca 0.48 -2.38 -0.43 0.00 0.00 0.00 0.00 53.44 51.11 1sww n ALA 102 Cb 0.79 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1sww n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1sww s SER 103 N -2.59 7.15 0.13 0.00 0.01 -1.26 -3.94 113.70 113.20 1sww s SER 103 Ca 0.27 1.43 -0.34 0.00 1.31 0.00 0.00 55.95 58.62 1sww s SER 103 Cb 0.24 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.78 1sww s SER 103 CO 0.03 -0.58 1.56 -2.65 0.41 0.00 0.00 173.24 172.01 1sww n PRO 104 N 5.79 1.98 -1.80 12.44 -0.02 -1.26 -2.10 135.00 150.03 1sww n PRO 104 Ca 0.11 0.71 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 1sww n PRO 104 Cb 0.47 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1sww n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sww s ILE 105 N 1.06 2.10 0.00 4.25 1.01 0.62 -4.89 121.20 125.34 1sww s ILE 105 Ca 0.81 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1sww s ILE 105 Cb -0.73 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1sww s ILE 105 CO 0.40 0.02 0.00 -3.20 0.00 0.00 0.00 174.94 172.16 1sww n ASN 106 N 1.92 0.00 -1.76 3.58 2.85 -1.26 -1.76 115.26 118.83 1sww n ASN 106 Ca 0.07 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.61 1sww n ASN 106 Cb 0.38 0.00 0.39 0.00 1.24 0.00 0.00 39.78 41.79 1sww n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sww n GLY 107 N -0.19 3.14 0.22 8.20 0.00 -1.26 -4.60 105.19 110.70 1sww n GLY 107 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1sww n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sww h VAL 108 N 3.71 1.29 -0.86 1.61 2.07 -1.70 -3.24 116.25 119.13 1sww h VAL 108 Ca 0.00 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.26 1sww h VAL 108 Cb 1.91 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 1sww h VAL 108 CO 0.46 0.43 0.53 0.11 0.02 0.00 0.00 177.57 179.12 1sww h LYS 109 N 0.48 0.93 -0.33 1.57 1.57 -1.81 -0.72 116.57 118.26 1sww h LYS 109 Ca 0.07 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1sww h LYS 109 Cb 0.75 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1sww h LYS 109 CO 0.06 0.61 -0.16 1.05 -0.57 0.00 0.00 179.45 180.44 1sww h GLU 110 N 0.96 0.59 -0.50 3.15 9.09 -1.90 -0.74 114.58 125.23 1sww h GLU 110 Ca 0.38 -0.19 -0.13 0.00 0.05 0.00 0.00 59.36 59.47 1sww h GLU 110 Cb 0.20 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 1sww h GLU 110 CO -0.18 0.72 -0.18 0.28 0.05 0.00 0.00 179.01 179.70 1sww h VAL 111 N 0.53 1.27 -0.30 -1.06 2.07 -1.36 -0.09 116.25 117.31 1sww h VAL 111 Ca 0.09 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1sww h VAL 111 Cb 0.58 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1sww h VAL 111 CO 0.04 0.47 0.15 0.40 0.02 0.00 0.00 177.57 178.64 1sww h ILE 112 N 0.86 1.15 -0.54 4.57 1.08 -0.81 0.26 117.51 124.08 1sww h ILE 112 Ca 0.12 -0.41 -0.05 0.00 -0.39 0.00 0.00 64.86 64.14 1sww h ILE 112 Cb 0.75 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1sww h ILE 112 CO 0.06 0.15 0.14 0.00 -0.69 0.00 0.00 178.15 177.81 1sww h ALA 113 N 1.01 1.23 -0.38 1.87 0.00 -0.98 -1.59 119.26 120.42 1sww h ALA 113 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1sww h ALA 113 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sww h ALA 113 CO -0.01 0.54 0.03 1.03 0.00 0.00 0.00 179.25 180.83 1sww h SER 114 N 0.80 0.64 -0.61 0.00 0.87 -0.53 -2.23 113.55 112.50 1sww h SER 114 Ca 0.18 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 1sww h SER 114 Cb 0.28 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1sww h SER 114 CO -0.00 0.77 0.23 -0.07 -0.53 0.00 0.00 176.83 177.23 1sww h LEU 115 N 0.49 0.88 -0.52 2.23 3.38 -0.61 -2.91 115.31 118.24 1sww h LEU 115 Ca 0.11 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1sww h LEU 115 Cb 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1sww h LEU 115 CO 0.01 0.80 -0.13 0.03 0.09 0.00 0.00 178.44 179.25 1sww h ARG 116 N 0.93 1.01 -0.94 1.13 3.08 -1.12 -1.16 114.38 117.32 1sww h ARG 116 Ca 0.21 -0.39 0.16 0.00 0.07 0.00 0.00 59.98 60.04 1sww h ARG 116 Cb 0.22 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 1sww h ARG 116 CO -0.02 1.07 0.60 0.93 -1.07 0.00 0.00 179.97 181.49 1sww h GLU 117 N 0.88 0.68 -0.00 0.04 5.08 -1.21 0.47 114.58 120.52 1sww h GLU 117 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sww h GLU 117 Cb 0.70 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1sww h GLU 117 CO 0.05 0.45 -0.03 0.54 -1.00 0.00 0.00 179.01 179.02 1sww n ARG 118 N -4.60 0.48 -0.85 2.33 1.74 -1.03 -4.91 116.66 109.81 1sww n ARG 118 Ca 0.19 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1sww n ARG 118 Cb 0.52 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1sww n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sww n GLY 119 N 1.28 0.48 3.69 -0.13 0.00 0.17 -5.03 105.19 105.65 1sww n GLY 119 Ca 0.14 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1sww n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sww s ILE 120 N -2.00 5.01 0.62 -0.61 1.01 -0.47 -4.96 121.20 119.79 1sww s ILE 120 Ca 0.00 1.37 -0.18 0.00 0.00 0.00 0.00 60.65 61.84 1sww s ILE 120 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1sww s ILE 120 CO 0.00 0.16 1.24 -0.54 0.00 0.00 0.00 174.94 175.80 1sww s LYS 121 N 1.44 2.81 -0.33 2.79 -0.14 -0.08 -4.20 119.74 122.03 1sww s LYS 121 Ca 0.34 1.90 0.03 0.00 -1.36 0.00 0.00 55.97 56.88 1sww s LYS 121 Cb -0.17 -1.90 0.09 0.00 -1.68 0.00 0.00 37.83 34.18 1sww s LYS 121 CO 0.14 -1.35 0.04 0.42 -0.76 0.00 0.00 175.35 173.83 1sww s ILE 122 N -1.54 2.36 0.48 2.17 -1.09 -1.26 -2.14 121.20 120.17 1sww s ILE 122 Ca 0.79 -2.20 0.08 0.00 -2.23 0.00 0.00 60.65 57.09 1sww s ILE 122 Cb -0.33 -2.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.91 1sww s ILE 122 CO 0.36 -0.51 0.54 -0.83 -1.23 0.00 0.00 174.94 173.26 1sww s GLY 123 N 1.01 2.03 -0.20 6.18 0.00 -0.06 -0.54 107.32 115.74 1sww s GLY 123 Ca 0.07 -1.79 -0.27 0.00 0.00 0.00 0.00 44.72 42.73 1sww s GLY 123 CO -0.07 -1.69 0.86 -1.35 0.00 0.00 0.00 173.10 170.85 1sww s SER 124 N -4.35 -0.56 0.40 1.64 1.04 -1.16 -0.75 113.70 109.95 1sww s SER 124 Ca 0.51 0.89 0.06 0.00 0.48 0.00 0.00 55.95 57.89 1sww s SER 124 Cb -0.05 0.84 -0.08 0.00 0.10 0.00 0.00 66.02 66.83 1sww s SER 124 CO 0.31 -0.32 0.02 0.42 0.98 0.00 0.00 173.24 174.64 1sww s THR 125 N -0.34 1.88 0.23 2.02 -4.23 -0.40 -1.57 115.64 113.23 1sww s THR 125 Ca -0.02 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 1sww s THR 125 Cb -0.03 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1sww s THR 125 CO 0.01 0.00 0.52 0.28 -0.54 0.00 0.00 174.62 174.89 1sww s THR 126 N -2.78 0.02 -0.04 3.99 -1.32 -1.17 -3.56 115.64 110.77 1sww s THR 126 Ca 0.34 -1.10 0.19 0.00 -1.21 0.00 0.00 61.69 59.91 1sww s THR 126 Cb 0.10 -1.90 -0.29 0.00 -1.51 0.00 0.00 72.50 68.90 1sww s THR 126 CO 0.17 -0.07 0.37 0.61 -2.21 0.00 0.00 174.62 173.50 1sww n GLY 127 N -0.36 -0.87 3.80 6.08 0.00 -1.25 -4.35 105.19 108.23 1sww n GLY 127 Ca -0.06 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1sww n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sww s TYR 128 N -3.21 3.19 0.88 1.61 2.02 -1.26 -2.52 117.35 118.06 1sww s TYR 128 Ca -0.07 1.62 -0.12 0.00 -0.37 0.00 0.00 57.07 58.13 1sww s TYR 128 Cb 0.11 -3.03 0.12 0.00 -0.40 0.00 0.00 41.96 38.76 1sww s TYR 128 CO 0.78 -0.55 1.12 0.95 -1.57 0.00 0.00 175.55 176.28 1sww s THR 129 N -1.90 2.39 0.19 -0.71 -4.23 -1.26 -4.39 115.64 105.72 1sww s THR 129 Ca 0.62 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 61.13 1sww s THR 129 Cb -0.17 -2.85 0.10 0.00 1.34 0.00 0.00 72.50 70.92 1sww s THR 129 CO 0.21 -0.16 1.83 -0.09 -0.54 0.00 0.00 174.62 175.87 1sww h ARG 130 N -1.39 0.70 -0.94 3.99 2.43 -1.96 -0.02 114.38 117.19 1sww h ARG 130 Ca -0.50 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.70 1sww h ARG 130 Cb 1.31 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 1sww h ARG 130 CO 0.61 0.46 0.61 1.49 -1.51 0.00 0.00 179.97 181.63 1sww h GLU 131 N 0.72 1.04 -0.18 0.20 4.81 -2.01 -0.28 114.58 118.88 1sww h GLU 131 Ca 0.23 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.21 1sww h GLU 131 Cb 0.00 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1sww h GLU 131 CO -0.09 0.69 -0.65 0.52 -0.73 0.00 0.00 179.01 178.75 1sww h MET 132 N 1.07 0.65 0.00 1.92 2.86 -1.74 -3.23 114.93 116.45 1sww h MET 132 Ca 0.41 -0.47 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1sww h MET 132 Cb 0.21 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1sww h MET 132 CO -0.16 1.09 -0.28 0.52 1.06 0.00 0.00 176.91 179.14 1sww h MET 133 N 0.48 0.00 -0.11 1.72 2.86 0.15 -0.42 114.93 119.61 1sww h MET 133 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1sww h MET 133 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1sww h MET 133 CO 0.13 0.28 -0.19 -0.44 1.06 0.00 0.00 176.91 177.74 1sww h ASP 134 N 0.00 0.17 0.00 1.22 3.32 -1.12 0.41 116.42 120.42 1sww h ASP 134 Ca -0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1sww h ASP 134 Cb 0.75 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1sww h ASP 134 CO 0.04 0.38 -0.08 0.40 -1.72 0.00 0.00 179.24 178.25 1sww h ILE 135 N 0.17 1.03 -0.02 0.35 2.04 -1.54 -3.00 117.51 116.54 1sww h ILE 135 Ca 0.03 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.10 1sww h ILE 135 Cb 0.44 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1sww h ILE 135 CO 0.03 0.35 -0.05 0.58 0.00 0.00 0.00 178.15 179.06 1sww h VAL 136 N -1.00 0.87 -0.53 1.67 2.07 -0.98 -0.86 116.25 117.49 1sww h VAL 136 Ca -0.02 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1sww h VAL 136 Cb 0.63 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1sww h VAL 136 CO -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.57 1sww h ALA 137 N 0.94 0.98 0.06 1.67 0.00 -0.37 0.12 119.26 122.67 1sww h ALA 137 Ca 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sww h ALA 137 Cb 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sww h ALA 137 CO -0.07 0.62 -0.03 -0.22 0.00 0.00 0.00 179.25 179.55 1sww h LYS 138 N 0.83 -0.08 -0.72 0.00 3.64 -1.38 -0.95 116.57 117.92 1sww h LYS 138 Ca 0.15 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1sww h LYS 138 Cb 0.51 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1sww h LYS 138 CO 0.03 0.16 0.32 1.49 -2.27 0.00 0.00 179.45 179.18 1sww h GLU 139 N -0.31 1.04 -0.40 1.90 4.57 -1.03 -1.61 114.58 118.74 1sww h GLU 139 Ca -0.01 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 1sww h GLU 139 Cb 0.27 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1sww h GLU 139 CO 0.01 0.82 -0.26 0.00 -1.18 0.00 0.00 179.01 178.40 1sww h ALA 140 N 1.33 0.78 -0.71 2.92 0.00 -0.71 -2.62 119.26 120.26 1sww h ALA 140 Ca 0.25 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1sww h ALA 140 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1sww h ALA 140 CO -0.03 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.15 1sww h ALA 141 N 0.99 0.92 -0.81 0.00 0.00 -0.55 0.12 119.26 119.92 1sww h ALA 141 Ca 0.09 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1sww h ALA 141 Cb 0.80 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1sww h ALA 141 CO 0.07 0.55 0.53 -0.07 0.00 0.00 0.00 179.25 180.33 1sww h LEU 142 N 1.02 0.75 -1.12 0.00 3.38 -1.13 0.30 115.31 118.51 1sww h LEU 142 Ca 0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1sww h LEU 142 Cb 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sww h LEU 142 CO -0.02 0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1sww n GLN 143 N -4.49 1.71 -0.23 1.13 6.02 -0.58 -4.90 117.38 116.03 1sww n GLN 143 Ca 0.13 -1.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1sww n GLN 143 Cb 0.25 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1sww n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sww n GLY 144 N 0.98 0.85 2.74 1.08 0.00 0.10 -4.83 105.19 106.12 1sww n GLY 144 Ca 0.10 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1sww n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sww s TYR 145 N -2.00 0.34 -0.21 1.61 5.04 0.32 -4.96 117.35 117.50 1sww s TYR 145 Ca 0.00 0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.61 1sww s TYR 145 Cb 0.00 -0.58 0.10 0.00 0.35 0.00 0.00 41.96 41.83 1sww s TYR 145 CO 0.00 -0.23 0.42 0.21 -1.34 0.00 0.00 175.55 174.62 1sww s LYS 146 N 1.84 0.34 0.91 4.97 2.20 -1.26 -2.03 119.74 126.70 1sww s LYS 146 Ca 0.02 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.48 1sww s LYS 146 Cb -0.12 0.25 0.14 0.00 -1.51 0.00 0.00 37.83 36.58 1sww s LYS 146 CO -0.04 -0.31 1.18 -1.25 -0.36 0.00 0.00 175.35 174.58 1sww s PRO 147 N 2.62 1.16 0.26 4.03 0.04 -1.26 -4.97 135.00 136.88 1sww s PRO 147 Ca 0.01 0.09 0.03 0.00 0.04 0.00 0.00 61.00 61.16 1sww s PRO 147 Cb -0.13 -1.86 0.33 0.00 0.04 0.00 0.00 34.50 32.88 1sww s PRO 147 CO -0.13 -2.15 1.64 -0.44 0.04 0.00 0.00 177.00 175.96 1sww h ASP 148 N -1.46 0.42 -5.21 6.66 3.32 -1.18 -3.46 116.42 115.52 1sww h ASP 148 Ca -0.48 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.31 1sww h ASP 148 Cb 1.31 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.62 1sww h ASP 148 CO 0.57 0.79 -0.25 0.12 -1.72 0.00 0.00 179.24 178.75 1sww s PHE 149 N -4.17 0.24 -0.20 4.55 5.36 -0.97 -5.03 117.98 117.76 1sww s PHE 149 Ca -0.06 -0.60 -0.11 0.00 -0.96 0.00 0.00 56.93 55.20 1sww s PHE 149 Cb 0.13 0.04 0.06 0.00 -0.34 0.00 0.00 43.02 42.91 1sww s PHE 149 CO 0.80 -0.73 0.48 -1.17 -1.46 0.00 0.00 175.22 173.14 1sww s LEU 150 N -2.93 -0.32 -0.04 6.12 2.96 -1.26 -2.99 118.68 120.22 1sww s LEU 150 Ca 0.13 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.12 1sww s LEU 150 Cb 0.03 1.60 0.00 0.00 0.50 0.00 0.00 46.19 48.32 1sww s LEU 150 CO -0.03 -0.21 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.97 1sww s VAL 151 N 1.49 1.18 0.37 1.68 1.01 -0.61 -4.99 120.40 120.53 1sww s VAL 151 Ca -0.10 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1sww s VAL 151 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1sww s VAL 151 CO -0.15 0.35 0.20 0.42 0.00 0.00 0.00 175.10 175.93 1sww s THR 152 N 0.23 2.80 0.22 3.92 -4.23 -1.26 -3.06 115.64 114.27 1sww s THR 152 Ca -0.06 -1.61 0.33 0.00 -1.18 0.00 0.00 61.69 59.17 1sww s THR 152 Cb -0.12 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.06 1sww s THR 152 CO 0.02 -0.10 2.02 -0.65 -0.54 0.00 0.00 174.62 175.36 1sww h PRO 153 N 1.41 0.00 0.00 3.99 0.11 -1.77 -1.33 132.00 134.41 1sww h PRO 153 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sww h PRO 153 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sww h PRO 153 CO 0.64 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.99 1sww h ASP 154 N 0.00 0.00 1.02 -2.05 3.32 -1.94 -2.95 116.42 113.82 1sww h ASP 154 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sww h ASP 154 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1sww h ASP 154 CO 0.00 0.00 -0.68 0.44 -1.72 0.00 0.00 179.24 177.28 1sww h ASP 155 N 0.00 0.00 -2.61 6.45 3.45 -1.63 -3.48 116.42 118.60 1sww h ASP 155 Ca 0.00 -0.12 -0.55 0.00 0.43 0.00 0.00 57.03 56.79 1sww h ASP 155 Cb 0.51 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.14 1sww h ASP 155 CO 0.00 0.06 -0.56 0.68 -1.57 0.00 0.00 179.24 177.85 1sww s VAL 156 N -3.23 1.08 0.56 -1.35 -7.23 -1.11 -5.04 120.40 104.07 1sww s VAL 156 Ca 0.04 -2.00 0.25 0.00 -1.81 0.00 0.00 61.98 58.47 1sww s VAL 156 Cb 0.11 -2.58 0.35 0.00 0.56 0.00 0.00 36.38 34.82 1sww s VAL 156 CO 0.74 0.00 2.11 -0.65 -0.31 0.00 0.00 175.10 176.99 1sww h PRO 157 N 1.86 0.00 -1.82 4.82 0.11 -1.93 -3.45 132.00 131.59 1sww h PRO 157 Ca -0.40 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.86 1sww h PRO 157 Cb 1.26 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.19 1sww h PRO 157 CO 0.67 0.00 0.61 0.00 -0.21 0.00 0.00 178.00 179.08 1sww s ALA 158 N -4.80 -1.93 0.73 -0.75 0.00 -1.26 -5.09 121.76 108.66 1sww s ALA 158 Ca -0.05 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1sww s ALA 158 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1sww s ALA 158 CO 0.61 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1sww n GLY 159 N 0.09 0.72 3.72 0.00 0.00 -1.26 -4.60 105.19 103.86 1sww n GLY 159 Ca -0.06 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1sww n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sww s ARG 160 N 0.97 2.13 0.00 1.61 0.52 -1.26 -1.89 118.95 121.03 1sww s ARG 160 Ca 0.00 1.83 0.20 0.00 -0.52 0.00 0.00 55.73 57.24 1sww s ARG 160 Cb 0.00 -1.82 1.22 0.00 0.52 0.00 0.00 34.95 34.87 1sww s ARG 160 CO 0.00 -1.86 1.66 -2.30 0.02 0.00 0.00 175.30 172.82 1sww n PRO 161 N -2.64 0.78 -2.13 3.54 -0.02 -1.26 -4.66 135.00 128.61 1sww n PRO 161 Ca 0.14 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1sww n PRO 161 Cb 0.50 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.56 1sww n PRO 161 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sww s TYR 162 N -2.00 2.96 -1.88 6.00 1.51 -0.79 -3.88 117.35 119.26 1sww s TYR 162 Ca 0.31 1.45 0.04 0.00 -1.01 0.00 0.00 57.07 57.86 1sww s TYR 162 Cb 0.14 -3.61 0.13 0.00 -0.11 0.00 0.00 41.96 38.51 1sww s TYR 162 CO 0.24 -1.82 1.07 -0.35 -1.11 0.00 0.00 175.55 173.57 1sww n PRO 163 N 0.36 1.37 0.10 -1.71 -0.04 -1.26 -4.40 135.00 129.42 1sww n PRO 163 Ca 0.03 -0.52 -0.13 0.00 -0.04 0.00 0.00 63.50 62.84 1sww n PRO 163 Cb 0.44 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 1sww n PRO 163 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1sww h TRP 164 N 0.82 -0.19 -0.74 0.54 -0.00 -1.90 -1.53 115.95 112.96 1sww h TRP 164 Ca 0.00 -0.00 0.05 0.00 -0.00 0.00 0.00 58.89 58.94 1sww h TRP 164 Cb 0.25 0.07 -0.05 0.00 -0.00 0.00 0.00 29.16 29.43 1sww h TRP 164 CO 0.11 -0.11 0.49 0.52 -0.00 0.00 0.00 178.44 179.44 1sww h MET 165 N -0.18 0.80 -0.45 0.49 2.86 -1.81 -1.41 114.93 115.23 1sww h MET 165 Ca -0.01 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1sww h MET 165 Cb 0.15 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1sww h MET 165 CO 0.01 0.53 -0.15 0.00 1.06 0.00 0.00 176.91 178.36 1sww h TYR 167 N 0.75 0.93 -0.18 0.00 0.05 -0.27 -2.11 116.97 116.13 1sww h TYR 167 Ca 0.12 -0.18 -0.12 0.00 0.05 0.00 0.00 58.73 58.60 1sww h TYR 167 Cb 0.66 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1sww h TYR 167 CO 0.04 0.90 -0.40 -0.22 -1.05 0.00 0.00 178.16 177.43 1sww h LYS 168 N 0.76 0.41 -0.23 4.88 3.64 -1.15 -1.95 116.57 122.92 1sww h LYS 168 Ca 0.13 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1sww h LYS 168 Cb 0.61 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1sww h LYS 168 CO 0.04 0.75 0.13 -0.91 -2.27 0.00 0.00 179.45 177.19 1sww h ASN 169 N 0.34 0.29 -0.46 4.20 2.35 -0.95 -2.39 115.58 118.96 1sww h ASN 169 Ca 0.03 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1sww h ASN 169 Cb 0.86 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.11 1sww h ASN 169 CO 0.07 0.28 0.22 0.00 -1.65 0.00 0.00 177.43 176.35 1sww h ALA 170 N 1.02 0.57 0.07 -0.83 0.00 -1.15 -0.87 119.26 118.07 1sww h ALA 170 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sww h ALA 170 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sww h ALA 170 CO -0.01 -0.14 -0.14 0.52 0.00 0.00 0.00 179.25 179.48 1sww h MET 171 N 0.44 -0.27 0.00 0.00 2.86 -1.20 0.35 114.93 117.11 1sww h MET 171 Ca 0.20 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1sww h MET 171 Cb 0.12 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1sww h MET 171 CO -0.15 -0.18 0.00 0.93 1.06 0.00 0.00 176.91 178.58 1sww h GLU 172 N -0.28 0.00 0.00 1.72 3.07 -1.29 -3.09 114.58 114.71 1sww h GLU 172 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1sww h GLU 172 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1sww h GLU 172 CO -0.09 0.00 -1.75 1.28 -1.40 0.00 0.00 179.01 177.05 1sww n LEU 173 N -2.45 0.21 -0.53 1.33 4.77 -0.35 -4.99 117.00 114.99 1sww n LEU 173 Ca 0.03 0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1sww n LEU 173 Cb 0.34 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1sww n LEU 173 CO 0.26 -0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 176.88 1sww n GLY 174 N 1.25 0.37 3.31 -0.72 0.00 0.12 -5.05 105.19 104.46 1sww n GLY 174 Ca -0.03 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1sww n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sww s VAL 175 N -2.40 2.91 0.01 1.61 1.01 -0.74 -5.04 120.40 117.77 1sww s VAL 175 Ca 0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1sww s VAL 175 Cb -0.01 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.16 1sww s VAL 175 CO 0.03 0.50 0.41 -0.72 0.00 0.00 0.00 175.10 175.33 1sww s TYR 176 N 0.76 -0.29 0.92 5.22 1.13 -1.26 -4.68 117.35 119.15 1sww s TYR 176 Ca -0.05 0.37 -0.16 0.00 -1.41 0.00 0.00 57.07 55.82 1sww s TYR 176 Cb -0.15 0.20 0.22 0.00 -1.10 0.00 0.00 41.96 41.13 1sww s TYR 176 CO 0.01 -0.51 0.97 -2.30 -2.51 0.00 0.00 175.55 171.20 1sww n PRO 177 N 0.83 -2.11 0.24 -3.49 -0.02 -1.26 -4.86 135.00 124.34 1sww n PRO 177 Ca -0.20 -1.52 0.07 0.00 -2.02 0.00 0.00 63.50 59.83 1sww n PRO 177 Cb 0.58 -1.25 0.57 0.00 -0.02 0.00 0.00 33.50 33.38 1sww n PRO 177 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1sww h MET 178 N 0.00 0.00 0.00 -0.52 2.86 -1.86 -1.37 114.93 114.05 1sww h MET 178 Ca -0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1sww h MET 178 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1sww h MET 178 CO 0.23 0.12 0.00 0.27 1.06 0.00 0.00 176.91 178.59 1sww n ASN 179 N -4.34 0.00 -1.55 1.22 6.94 -1.24 -1.07 115.26 115.21 1sww n ASN 179 Ca -0.03 -0.65 0.09 0.00 -0.02 0.00 0.00 54.58 53.97 1sww n ASN 179 Cb 0.19 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 37.95 1sww n ASN 179 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1sww n HIS 180 N -0.94 1.46 -4.07 -2.53 8.25 -0.51 -4.80 115.22 112.08 1sww n HIS 180 Ca 0.12 -0.57 -0.13 0.00 -0.26 0.00 0.00 57.72 56.88 1sww n HIS 180 Cb 0.06 -0.25 -0.12 0.00 1.12 0.00 0.00 29.99 30.79 1sww n HIS 180 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1sww s MET 181 N -1.89 0.48 -0.02 -0.41 -1.94 -0.24 0.36 119.30 115.65 1sww s MET 181 Ca 0.49 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.87 1sww s MET 181 Cb 0.32 -0.27 -0.03 0.00 2.01 0.00 0.00 34.83 36.86 1sww s MET 181 CO 0.23 0.05 -0.15 0.42 -0.01 0.00 0.00 175.02 175.56 1sww s ILE 182 N -1.17 2.99 -0.18 2.53 1.01 -0.44 -2.07 121.20 123.87 1sww s ILE 182 Ca -0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1sww s ILE 182 Cb -0.09 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1sww s ILE 182 CO 0.00 0.52 -0.09 -0.75 0.00 0.00 0.00 174.94 174.63 1sww s LYS 183 N -0.92 3.37 -0.19 2.79 2.36 0.90 0.72 119.74 128.77 1sww s LYS 183 Ca 0.12 -0.65 0.00 0.00 -2.55 0.00 0.00 55.97 52.89 1sww s LYS 183 Cb -0.11 -2.83 0.02 0.00 -1.05 0.00 0.00 37.83 33.86 1sww s LYS 183 CO 0.02 -0.01 -0.17 0.08 1.55 0.00 0.00 175.35 176.82 1sww s VAL 184 N 0.96 2.29 0.32 4.02 1.01 -0.19 -0.27 120.40 128.55 1sww s VAL 184 Ca -0.01 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1sww s VAL 184 Cb -0.15 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1sww s VAL 184 CO -0.00 0.52 0.21 -0.83 0.00 0.00 0.00 175.10 175.00 1sww s GLY 185 N 1.32 2.23 0.00 4.51 0.00 -0.61 -1.97 107.32 112.81 1sww s GLY 185 Ca 0.05 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.94 1sww s GLY 185 CO -0.11 -1.55 0.36 2.09 0.00 0.00 0.00 173.10 173.89 1sww n ASP 186 N -1.25 0.65 -4.55 1.64 5.75 -1.26 -0.90 116.55 116.63 1sww n ASP 186 Ca 0.03 -1.08 -0.26 0.00 -0.01 0.00 0.00 54.79 53.47 1sww n ASP 186 Cb 0.64 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.62 1sww n ASP 186 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1sww s THR 187 N -0.08 2.05 0.36 2.12 -4.23 -1.26 -3.29 115.64 111.30 1sww s THR 187 Ca 0.00 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1sww s THR 187 Cb 0.00 -2.74 0.17 0.00 1.34 0.00 0.00 72.50 71.27 1sww s THR 187 CO 0.00 -0.14 1.90 0.58 -0.54 0.00 0.00 174.62 176.42 1sww h VAL 188 N 1.98 1.18 0.00 2.29 2.07 -1.88 -1.98 116.25 119.92 1sww h VAL 188 Ca -0.42 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 1sww h VAL 188 Cb 1.24 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1sww h VAL 188 CO 0.73 0.25 -0.29 0.77 0.02 0.00 0.00 177.57 179.05 1sww h SER 189 N 0.43 0.00 0.07 0.57 4.64 -1.89 -2.41 113.55 114.96 1sww h SER 189 Ca 0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1sww h SER 189 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1sww h SER 189 CO 0.01 0.29 -0.56 0.44 -0.87 0.00 0.00 176.83 176.14 1sww h ASP 190 N 0.00 0.57 -0.30 4.97 3.32 -1.66 -1.63 116.42 121.69 1sww h ASP 190 Ca -0.00 -0.31 -0.14 0.00 0.02 0.00 0.00 57.03 56.60 1sww h ASP 190 Cb 0.73 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1sww h ASP 190 CO 0.04 1.02 -0.34 0.24 -1.72 0.00 0.00 179.24 178.47 1sww h MET 191 N 0.39 0.77 -0.10 3.56 2.86 -1.33 -1.67 114.93 119.41 1sww h MET 191 Ca 0.00 -0.42 -0.10 0.00 -2.06 0.00 0.00 59.70 57.12 1sww h MET 191 Cb 1.10 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1sww h MET 191 CO 0.10 1.05 -0.40 0.87 1.06 0.00 0.00 176.91 179.59 1sww h LYS 192 N 0.53 0.23 -0.10 1.72 1.57 -1.41 -2.38 116.57 116.73 1sww h LYS 192 Ca 0.04 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1sww h LYS 192 Cb 0.93 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1sww h LYS 192 CO 0.08 0.60 -0.00 1.49 -0.57 0.00 0.00 179.45 181.05 1sww h GLU 193 N 0.19 0.17 -0.20 3.15 4.81 -1.18 -0.03 114.58 121.50 1sww h GLU 193 Ca 0.02 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sww h GLU 193 Cb 0.80 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1sww h GLU 193 CO 0.06 0.44 0.06 0.78 -0.73 0.00 0.00 179.01 179.62 1sww h GLY 194 N -0.11 0.23 0.98 1.92 0.00 -1.12 -1.53 103.07 103.44 1sww h GLY 194 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1sww h GLY 194 CO 0.01 0.02 0.09 3.21 0.00 0.00 0.00 176.54 179.86 1sww h ARG 195 N 0.14 0.82 0.00 4.80 2.47 -1.39 -1.70 114.38 119.53 1sww h ARG 195 Ca 0.09 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1sww h ARG 195 Cb 0.07 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1sww h ARG 195 CO -0.10 0.81 -0.07 -0.91 0.56 0.00 0.00 179.97 180.27 1sww h ASN 196 N 0.70 0.00 0.41 7.04 2.35 -0.85 -0.64 115.58 124.58 1sww h ASN 196 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1sww h ASN 196 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1sww h ASN 196 CO 0.01 0.07 -0.18 0.00 -1.65 0.00 0.00 177.43 175.67 1sww n ALA 197 N -2.18 2.89 -1.45 -0.83 0.00 -0.59 -4.71 120.51 113.64 1sww n ALA 197 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 1sww n ALA 197 Cb 0.23 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1sww n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sww n GLY 198 N 1.34 1.01 3.79 0.00 0.00 -0.25 -4.84 105.19 106.23 1sww n GLY 198 Ca 0.12 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1sww n GLY 198 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sww s MET 199 N -3.16 2.77 0.09 1.61 0.23 -0.70 -3.73 119.30 116.42 1sww s MET 199 Ca 0.00 -1.15 -0.31 0.00 -1.03 0.00 0.00 55.69 53.20 1sww s MET 199 Cb 0.00 -2.47 -0.09 0.00 -1.53 0.00 0.00 34.83 30.74 1sww s MET 199 CO 0.00 0.37 1.74 -1.58 -2.03 0.00 0.00 175.02 173.52 1sww s TRP 200 N -2.19 2.28 -0.20 3.16 0.52 -0.88 -4.30 118.94 117.33 1sww s TRP 200 Ca 0.33 0.15 -0.04 0.00 0.02 0.00 0.00 56.10 56.56 1sww s TRP 200 Cb -0.07 -4.07 -0.02 0.00 -1.15 0.00 0.00 33.47 28.16 1sww s TRP 200 CO 0.24 -4.35 -0.03 0.99 0.02 0.00 0.00 176.95 173.82 1sww s THR 201 N 2.71 3.62 -0.02 2.01 2.01 -1.26 -0.07 115.64 124.63 1sww s THR 201 Ca 0.77 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1sww s THR 201 Cb -0.43 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1sww s THR 201 CO 0.34 0.44 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.80 1sww s VAL 202 N 1.08 2.37 -0.13 3.82 1.01 0.63 -0.10 120.40 129.08 1sww s VAL 202 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1sww s VAL 202 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1sww s VAL 202 CO 0.00 0.56 -0.14 -0.83 0.00 0.00 0.00 175.10 174.69 1sww s GLY 203 N -0.71 1.50 -0.08 4.51 0.00 -0.47 -1.57 107.32 110.50 1sww s GLY 203 Ca 0.11 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 1sww s GLY 203 CO -0.00 -0.14 0.30 0.14 0.00 0.00 0.00 173.10 173.40 1sww s VAL 204 N 0.49 5.24 -0.13 1.40 1.01 -0.07 0.12 120.40 128.45 1sww s VAL 204 Ca -0.10 0.59 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 1sww s VAL 204 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1sww s VAL 204 CO 0.05 0.53 -0.23 -0.38 0.00 0.00 0.00 175.10 175.06 1sww n ILE 205 N 2.40 1.18 -2.09 2.22 5.41 0.08 -4.51 119.36 124.04 1sww n ILE 205 Ca -0.15 0.23 -0.42 0.00 1.00 0.00 0.00 62.75 63.42 1sww n ILE 205 Cb 0.53 -2.19 -0.03 0.00 -0.71 0.00 0.00 39.64 37.24 1sww n ILE 205 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sww s LEU 206 N -7.38 4.37 0.00 1.39 1.43 0.64 -1.61 118.68 117.52 1sww s LEU 206 Ca -0.19 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1sww s LEU 206 Cb 0.03 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1sww s LEU 206 CO 0.29 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.77 1sww n GLY 207 N 3.55 1.23 3.82 -3.19 0.00 -1.26 -4.81 105.19 104.53 1sww n GLY 207 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1sww n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sww s SER 208 N -3.05 5.59 0.19 1.61 1.04 -0.64 -0.10 113.70 118.35 1sww s SER 208 Ca 0.00 1.62 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 1sww s SER 208 Cb 0.00 -2.50 0.10 0.00 0.10 0.00 0.00 66.02 63.72 1sww s SER 208 CO 0.00 -1.30 1.58 -1.28 0.98 0.00 0.00 173.24 173.22 1sww h SER 209 N -0.42 0.88 -0.72 7.02 0.87 -1.78 -2.44 113.55 116.96 1sww h SER 209 Ca -0.44 -0.34 0.13 0.00 -1.23 0.00 0.00 61.79 59.90 1sww h SER 209 Cb 1.21 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 1sww h SER 209 CO 0.58 1.09 0.48 -0.33 -0.53 0.00 0.00 176.83 178.12 1sww h GLU 210 N 0.73 0.44 0.04 2.24 4.39 -1.89 -0.29 114.58 120.23 1sww h GLU 210 Ca 0.09 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.63 1sww h GLU 210 Cb 0.81 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1sww h GLU 210 CO 0.07 0.29 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.58 1sww h LEU 211 N 0.45 0.42 0.86 1.33 3.38 -1.77 -3.47 115.31 116.51 1sww h LEU 211 Ca 0.34 -0.84 -0.18 0.00 0.09 0.00 0.00 57.88 57.30 1sww h LEU 211 Cb 0.72 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1sww h LEU 211 CO -0.11 1.21 -0.20 0.61 0.09 0.00 0.00 178.44 180.04 1sww n GLY 212 N 1.28 0.52 3.74 0.83 0.00 -0.12 -5.02 105.19 106.41 1sww n GLY 212 Ca -0.11 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1sww n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sww s LEU 213 N -2.30 3.62 0.65 0.99 1.43 -1.26 -5.05 118.68 116.77 1sww s LEU 213 Ca 0.00 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1sww s LEU 213 Cb 0.00 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.96 1sww s LEU 213 CO 0.00 0.13 0.96 0.42 0.23 0.00 0.00 176.35 178.09 1sww s THR 214 N -1.52 2.81 0.09 5.49 -4.23 -1.26 -4.02 115.64 112.99 1sww s THR 214 Ca 0.28 -0.20 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 1sww s THR 214 Cb -0.11 -3.17 -0.14 0.00 1.34 0.00 0.00 72.50 70.42 1sww s THR 214 CO 0.21 -0.17 1.72 -0.33 -0.54 0.00 0.00 174.62 175.50 1sww h GLU 215 N -0.40 -0.14 -0.68 3.99 5.08 -2.00 -2.13 114.58 118.30 1sww h GLU 215 Ca -0.45 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1sww h GLU 215 Cb 1.29 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.51 1sww h GLU 215 CO 0.60 -0.09 0.34 1.49 -1.00 0.00 0.00 179.01 180.34 1sww h GLU 216 N -0.15 0.58 -0.58 2.33 4.81 -1.98 -0.23 114.58 119.36 1sww h GLU 216 Ca -0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1sww h GLU 216 Cb 0.13 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1sww h GLU 216 CO -0.01 0.38 0.38 0.93 -0.73 0.00 0.00 179.01 179.97 1sww h GLU 217 N 0.59 0.68 0.06 1.92 5.08 -1.87 -0.17 114.58 120.87 1sww h GLU 217 Ca 0.33 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1sww h GLU 217 Cb 0.31 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1sww h GLU 217 CO -0.25 0.45 -0.03 0.28 -1.00 0.00 0.00 179.01 178.47 1sww h VAL 218 N 0.70 1.24 -0.02 3.13 2.07 -0.44 -1.24 116.25 121.69 1sww h VAL 218 Ca 0.23 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sww h VAL 218 Cb 0.04 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1sww h VAL 218 CO -0.06 0.27 0.01 -0.33 0.02 0.00 0.00 177.57 177.48 1sww h GLU 219 N -0.59 0.02 -0.01 1.57 5.08 -0.74 -3.03 114.58 116.88 1sww h GLU 219 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sww h GLU 219 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1sww h GLU 219 CO 0.01 0.02 -0.19 0.09 -1.00 0.00 0.00 179.01 177.94 1sww n ASN 220 N -4.53 1.90 -4.79 1.42 4.13 -0.11 -5.00 115.26 108.28 1sww n ASN 220 Ca -0.03 -1.45 -0.36 0.00 1.68 0.00 0.00 54.58 54.42 1sww n ASN 220 Cb 0.09 0.28 -0.04 0.00 -1.54 0.00 0.00 39.78 38.57 1sww n ASN 220 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1sww s MET 221 N -1.65 4.09 -0.00 3.52 1.75 -0.47 -4.94 119.30 121.59 1sww s MET 221 Ca 0.15 1.45 -0.33 0.00 -1.25 0.00 0.00 55.69 55.72 1sww s MET 221 Cb 0.13 -2.42 -0.11 0.00 2.84 0.00 0.00 34.83 35.27 1sww s MET 221 CO 0.31 -0.20 1.85 -3.47 -0.65 0.00 0.00 175.02 172.87 1sww n ASP 222 N -0.30 3.61 -0.34 1.11 -0.08 -1.26 -4.80 116.55 114.48 1sww n ASP 222 Ca 0.06 0.98 0.15 0.00 -1.51 0.00 0.00 54.79 54.47 1sww n ASP 222 Cb 0.51 -1.43 0.30 0.00 2.34 0.00 0.00 41.12 42.84 1sww n ASP 222 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1sww h SER 223 N 8.92 -0.47 -0.28 1.67 0.87 -1.95 0.97 113.55 123.28 1sww h SER 223 Ca -0.48 0.28 -0.14 0.00 -1.23 0.00 0.00 61.79 60.22 1sww h SER 223 Cb 1.26 0.49 -0.00 0.00 -0.44 0.00 0.00 62.40 63.70 1sww h SER 223 CO 0.94 -0.36 -0.37 0.58 -0.53 0.00 0.00 176.83 177.08 1sww h VAL 224 N 0.00 1.30 -0.97 2.23 2.07 -2.00 -2.29 116.25 116.59 1sww h VAL 224 Ca 0.61 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1sww h VAL 224 Cb 1.27 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 1sww h VAL 224 CO -0.93 0.50 0.64 -0.08 0.02 0.00 0.00 177.57 177.73 1sww h GLU 225 N 0.50 1.27 0.64 1.57 4.81 -1.28 -1.86 114.58 120.24 1sww h GLU 225 Ca 0.03 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1sww h GLU 225 Cb 0.96 -0.29 0.01 0.00 0.63 0.00 0.00 28.75 30.06 1sww h GLU 225 CO 0.09 0.84 -0.31 1.25 -0.73 0.00 0.00 179.01 180.15 1sww h LEU 226 N 1.31 -0.73 -1.18 1.64 5.85 -0.85 -2.13 115.31 119.22 1sww h LEU 226 Ca 0.36 -0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.26 1sww h LEU 226 Cb -0.13 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 1sww h LEU 226 CO -0.08 -0.42 0.61 0.03 -0.34 0.00 0.00 178.44 178.24 1sww h ARG 227 N -1.04 0.63 -0.26 1.25 3.08 -1.32 0.54 114.38 117.26 1sww h ARG 227 Ca -0.09 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1sww h ARG 227 Cb 0.70 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1sww h ARG 227 CO 0.15 0.41 0.13 1.49 -1.07 0.00 0.00 179.97 181.08 1sww h GLU 228 N 0.65 0.37 -0.15 0.04 4.81 -1.24 -0.65 114.58 118.40 1sww h GLU 228 Ca 0.55 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.62 1sww h GLU 228 Cb 1.01 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1sww h GLU 228 CO -0.31 0.35 -0.38 0.87 -0.73 0.00 0.00 179.01 178.81 1sww h LYS 229 N 0.29 0.32 -0.37 1.92 1.57 0.01 -2.55 116.57 117.76 1sww h LYS 229 Ca 0.09 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1sww h LYS 229 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1sww h LYS 229 CO -0.01 0.66 0.03 0.82 -0.57 0.00 0.00 179.45 180.38 1sww h ILE 230 N 0.27 1.25 -0.36 1.86 2.04 0.23 -2.40 117.51 120.40 1sww h ILE 230 Ca 0.03 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 1sww h ILE 230 Cb 0.80 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1sww h ILE 230 CO 0.06 0.31 -0.15 -0.33 0.00 0.00 0.00 178.15 178.04 1sww h GLU 231 N 0.47 0.66 -0.43 2.37 4.39 -1.02 0.15 114.58 121.17 1sww h GLU 231 Ca 0.11 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.60 1sww h GLU 231 Cb 0.41 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1sww h GLU 231 CO 0.01 0.78 0.26 0.28 -1.16 0.00 0.00 179.01 179.18 1sww h VAL 232 N 0.59 1.06 -0.41 3.13 2.07 -1.35 0.20 116.25 121.54 1sww h VAL 232 Ca 0.10 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1sww h VAL 232 Cb 0.60 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1sww h VAL 232 CO 0.04 0.10 -0.01 0.58 0.02 0.00 0.00 177.57 178.29 1sww h VAL 233 N 0.52 1.26 -0.53 2.57 2.07 -0.91 -0.78 116.25 120.46 1sww h VAL 233 Ca 0.17 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1sww h VAL 233 Cb -0.00 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1sww h VAL 233 CO -0.07 0.35 0.34 -0.09 0.02 0.00 0.00 177.57 178.12 1sww h ARG 234 N 0.55 0.70 -0.70 1.57 2.43 -0.31 -0.79 114.38 117.84 1sww h ARG 234 Ca 0.11 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1sww h ARG 234 Cb 0.50 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1sww h ARG 234 CO 0.02 0.49 0.27 -0.97 -1.51 0.00 0.00 179.97 178.27 1sww h ASN 235 N 0.71 0.97 -0.56 -3.80 -0.73 -0.44 -1.76 115.58 109.98 1sww h ASN 235 Ca 0.19 -0.18 0.01 0.00 1.87 0.00 0.00 56.30 58.19 1sww h ASN 235 Cb -0.05 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.26 1sww h ASN 235 CO -0.04 0.88 0.36 -0.09 -0.37 0.00 0.00 177.43 178.18 1sww h ARG 236 N 1.00 0.72 -0.11 6.67 2.43 -0.46 -0.13 114.38 124.50 1sww h ARG 236 Ca 0.23 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1sww h ARG 236 Cb 0.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1sww h ARG 236 CO -0.02 0.48 0.07 0.74 -1.51 0.00 0.00 179.97 179.73 1sww h PHE 237 N 0.74 0.14 0.14 2.20 0.04 -0.91 -2.46 116.94 116.82 1sww h PHE 237 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1sww h PHE 237 Cb -0.07 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1sww h PHE 237 CO -0.04 0.10 -0.12 0.28 -0.60 0.00 0.00 178.31 177.94 1sww h VAL 238 N 0.13 0.73 -0.10 -0.55 2.07 -0.94 -1.55 116.25 116.04 1sww h VAL 238 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1sww h VAL 238 Cb 0.00 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1sww h VAL 238 CO -0.01 0.00 0.13 -0.33 0.02 0.00 0.00 177.57 177.38 1sww h GLU 239 N -0.28 0.00 -0.63 1.57 5.08 -1.01 -1.85 114.58 117.47 1sww h GLU 239 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1sww h GLU 239 Cb 0.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1sww h GLU 239 CO -0.02 0.00 0.10 0.09 -1.00 0.00 0.00 179.01 178.18 1sww n ASN 240 N -3.69 5.35 0.00 1.42 3.02 -0.70 -4.95 115.26 115.72 1sww n ASN 240 Ca -0.00 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1sww n ASN 240 Cb 0.23 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1sww n ASN 240 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sww n GLY 241 N 0.28 1.99 3.60 7.41 0.00 -0.69 -4.08 105.19 113.70 1sww n GLY 241 Ca 0.33 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.82 1sww n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sww n ALA 242 N -1.64 -1.04 0.10 4.61 0.00 -0.67 -4.84 120.51 117.03 1sww n ALA 242 Ca 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 1sww n ALA 242 Cb 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.26 1sww n ALA 242 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sww h HIS 243 N 4.80 0.77 -3.94 0.00 3.86 -0.85 -3.43 115.15 116.36 1sww h HIS 243 Ca -0.48 -0.50 -0.22 0.00 -1.16 0.00 0.00 60.37 58.02 1sww h HIS 243 Cb 1.34 -0.06 -0.17 0.00 1.06 0.00 0.00 27.41 29.58 1sww h HIS 243 CO 0.62 1.35 -0.71 -0.06 0.86 0.00 0.00 177.93 180.00 1sww s PHE 244 N -2.92 0.71 -0.05 2.45 0.40 -0.78 -5.04 117.98 112.74 1sww s PHE 244 Ca -0.07 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1sww s PHE 244 Cb 0.07 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.18 1sww s PHE 244 CO 0.91 -0.17 -0.07 0.95 0.70 0.00 0.00 175.22 177.53 1sww s THR 245 N -2.79 0.76 0.05 0.64 -4.23 -1.26 -1.37 115.64 107.43 1sww s THR 245 Ca 0.02 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1sww s THR 245 Cb -0.00 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 1sww s THR 245 CO -0.04 0.28 -0.19 0.27 -0.54 0.00 0.00 174.62 174.40 1sww s ILE 246 N 0.88 1.55 0.11 2.99 -4.36 0.12 -4.93 121.20 117.56 1sww s ILE 246 Ca -0.11 -1.21 -0.05 0.00 -0.26 0.00 0.00 60.65 59.02 1sww s ILE 246 Cb -0.15 -1.37 -0.22 0.00 1.25 0.00 0.00 42.46 41.98 1sww s ILE 246 CO 0.01 0.12 1.25 -0.33 0.24 0.00 0.00 174.94 176.22 1sww h GLU 247 N 4.76 0.39 -4.44 0.37 5.08 -1.95 0.25 114.58 119.04 1sww h GLU 247 Ca -0.42 -0.48 -0.20 0.00 -1.00 0.00 0.00 59.36 57.26 1sww h GLU 247 Cb 1.17 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.42 1sww h GLU 247 CO 0.43 1.16 -0.59 0.95 -1.00 0.00 0.00 179.01 179.95 1sww s THR 248 N -3.08 0.05 -0.14 1.13 -4.23 -1.26 -0.26 115.64 107.85 1sww s THR 248 Ca -0.06 -1.90 0.27 0.00 -1.18 0.00 0.00 61.69 58.83 1sww s THR 248 Cb 0.08 -2.25 0.29 0.00 1.34 0.00 0.00 72.50 71.96 1sww s THR 248 CO 0.88 -0.22 1.82 -0.03 -0.54 0.00 0.00 174.62 176.53 1sww h MET 249 N 2.71 0.00 0.00 3.99 4.05 -1.91 -2.93 114.93 120.84 1sww h MET 249 Ca -0.35 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 1sww h MET 249 Cb 1.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1sww h MET 249 CO 0.55 0.00 0.00 1.04 0.23 0.00 0.00 176.91 178.73 1sww n GLN 250 N -2.49 0.14 0.00 0.39 3.00 -1.26 -1.71 117.38 115.45 1sww n GLN 250 Ca -0.00 0.57 0.12 0.00 -0.01 0.00 0.00 57.00 57.67 1sww n GLN 250 Cb 0.15 -1.90 0.10 0.00 0.00 0.00 0.00 30.24 28.59 1sww n GLN 250 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1sww n GLU 251 N -2.20 1.05 -0.17 -1.09 1.02 -1.11 -4.46 120.64 113.69 1sww n GLU 251 Ca -0.00 -0.82 -0.02 0.00 -0.02 0.00 0.00 57.16 56.30 1sww n GLU 251 Cb 0.09 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.08 1sww n GLU 251 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1sww h LEU 252 N 1.99 -0.27 -0.82 -4.62 5.85 -1.54 -1.09 115.31 114.81 1sww h LEU 252 Ca 0.00 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1sww h LEU 252 Cb 0.68 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 1sww h LEU 252 CO 0.00 -0.10 0.43 -0.08 -0.34 0.00 0.00 178.44 178.35 1sww h GLU 253 N 0.09 0.64 -0.78 1.25 4.57 -1.80 -1.16 114.58 117.40 1sww h GLU 253 Ca 0.26 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1sww h GLU 253 Cb 0.40 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1sww h GLU 253 CO -0.45 0.42 0.28 0.77 -1.18 0.00 0.00 179.01 178.85 1sww h SER 254 N 0.66 1.10 -0.56 1.04 0.02 -1.50 -1.00 113.55 113.31 1sww h SER 254 Ca 0.43 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 1sww h SER 254 Cb 0.53 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1sww h SER 254 CO -0.32 1.00 -0.06 0.58 -1.14 0.00 0.00 176.83 176.89 1sww h VAL 255 N 1.15 1.27 -0.36 2.27 2.07 -0.95 -0.99 116.25 120.70 1sww h VAL 255 Ca 0.26 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1sww h VAL 255 Cb 0.26 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1sww h VAL 255 CO -0.01 0.43 0.20 0.24 0.02 0.00 0.00 177.57 178.45 1sww h MET 256 N 0.91 0.51 -0.41 1.57 2.07 -0.86 -0.08 114.93 118.63 1sww h MET 256 Ca 0.15 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.70 1sww h MET 256 Cb 0.62 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 1sww h MET 256 CO 0.04 0.41 0.15 0.93 1.07 0.00 0.00 176.91 179.51 1sww h GLU 257 N 0.47 0.63 0.19 1.72 5.08 -1.09 -2.14 114.58 119.43 1sww h GLU 257 Ca 0.13 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1sww h GLU 257 Cb 0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1sww h GLU 257 CO -0.02 0.60 -0.32 1.25 -1.00 0.00 0.00 179.01 179.52 1sww h HIS 258 N 0.52 -0.87 -0.73 4.33 2.76 -0.83 -2.57 115.15 117.76 1sww h HIS 258 Ca 0.13 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.46 1sww h HIS 258 Cb 0.23 0.36 -0.09 0.00 1.55 0.00 0.00 27.41 29.45 1sww h HIS 258 CO 0.01 -0.44 0.26 0.82 -1.30 0.00 0.00 177.93 177.28 1sww h ILE 259 N -0.59 0.64 0.00 6.26 2.04 -0.90 -0.22 117.51 124.75 1sww h ILE 259 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1sww h ILE 259 Cb 0.59 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1sww h ILE 259 CO -0.14 0.07 0.00 -0.62 0.00 0.00 0.00 178.15 177.46 1sww n GLU 260 N -5.03 0.32 0.00 2.37 1.02 -0.82 -4.97 120.64 113.53 1sww n GLU 260 Ca 0.13 0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.36 1sww n GLU 260 Cb 0.41 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1sww n GLU 260 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94