#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sck s PHE 3 N 0.00 2.95 0.27 0.00 0.08 -1.26 -4.74 117.98 115.27 1sck s PHE 3 Ca 0.00 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.05 1sck s PHE 3 Cb 0.00 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.83 1sck s PHE 3 CO 0.00 0.44 0.12 0.00 -0.10 0.00 0.00 175.22 175.68 1sck s ALA 4 N -1.16 1.76 -0.36 5.36 0.00 -1.26 -5.03 121.76 121.07 1sck s ALA 4 Ca 0.21 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 1sck s ALA 4 Cb -0.11 1.10 0.07 0.00 0.00 0.00 0.00 23.12 24.18 1sck s ALA 4 CO 0.13 -0.48 0.13 -1.58 0.00 0.00 0.00 175.76 173.96 1sck s HIS 5 N -3.74 3.38 -0.01 0.00 2.46 -1.26 -1.54 115.29 114.59 1sck s HIS 5 Ca 0.37 -1.88 -0.17 0.00 0.47 0.00 0.00 55.06 53.85 1sck s HIS 5 Cb 0.07 -2.65 -0.06 0.00 -0.13 0.00 0.00 32.58 29.81 1sck s HIS 5 CO 0.15 -0.85 0.48 -0.06 -2.47 0.00 0.00 174.74 171.99 1sck s PHE 6 N 1.28 3.70 -0.28 3.88 0.08 -0.10 -1.13 117.98 125.41 1sck s PHE 6 Ca 0.01 1.07 0.01 0.00 0.12 0.00 0.00 56.93 58.14 1sck s PHE 6 Cb -0.21 -2.43 0.06 0.00 -0.57 0.00 0.00 43.02 39.87 1sck s PHE 6 CO -0.01 0.50 -0.05 0.08 -0.10 0.00 0.00 175.22 175.64 1sck s VAL 7 N -0.63 2.48 -0.10 -0.44 1.01 -0.19 -0.88 120.40 121.65 1sck s VAL 7 Ca 0.26 -1.62 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 1sck s VAL 7 Cb -0.17 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1sck s VAL 7 CO 0.15 -0.12 0.61 -0.76 0.00 0.00 0.00 175.10 174.98 1sck s LEU 8 N 1.14 4.29 -0.23 3.92 1.43 0.34 -0.93 118.68 128.64 1sck s LEU 8 Ca -0.06 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1sck s LEU 8 Cb -0.20 -2.92 0.05 0.00 0.03 0.00 0.00 46.19 43.15 1sck s LEU 8 CO -0.04 -0.08 -0.13 -0.63 0.23 0.00 0.00 176.35 175.70 1sck s ILE 9 N 0.82 2.02 0.96 -0.59 1.01 0.10 -2.99 121.20 122.53 1sck s ILE 9 Ca 0.32 -1.32 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 1sck s ILE 9 Cb -0.17 -2.04 0.17 0.00 0.01 0.00 0.00 42.46 40.43 1sck s ILE 9 CO 0.14 0.15 1.13 -1.38 0.00 0.00 0.00 174.94 174.99 1sck s HIS 10 N 1.22 2.18 0.58 3.97 -3.43 -1.26 -1.92 115.29 116.63 1sck s HIS 10 Ca -0.04 0.82 0.05 0.00 -0.80 0.00 0.00 55.06 55.09 1sck s HIS 10 Cb -0.17 -3.40 0.08 0.00 -1.43 0.00 0.00 32.58 27.65 1sck s HIS 10 CO -0.08 -2.66 0.81 -0.08 -2.00 0.00 0.00 174.74 170.73 1sck s THR 11 N -3.21 2.39 0.53 -5.38 -1.32 -1.24 -4.27 115.64 103.14 1sck s THR 11 Ca 0.65 -0.83 -0.22 0.00 -1.21 0.00 0.00 61.69 60.09 1sck s THR 11 Cb -0.15 -2.56 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 1sck s THR 11 CO 0.55 0.00 1.29 2.30 -2.21 0.00 0.00 174.62 176.55 1sck n ILE 12 N -2.36 3.63 -0.28 5.08 -5.35 -1.26 -2.00 119.36 116.82 1sck n ILE 12 Ca 0.13 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1sck n ILE 12 Cb 0.60 -1.57 0.00 0.00 -1.74 0.00 0.00 39.64 36.93 1sck n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sck n HIS 14 N -2.00 -1.31 -3.87 0.00 8.25 -0.85 -1.91 115.22 113.53 1sck n HIS 14 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1sck n HIS 14 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1sck n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sck n GLY 15 N 5.00 1.29 0.42 -1.41 0.00 -1.26 -3.41 105.19 105.81 1sck n GLY 15 Ca 0.00 -1.36 0.24 0.00 0.00 0.00 0.00 46.02 44.90 1sck n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sck h ALA 16 N 2.01 2.55 -0.21 4.61 0.00 -1.87 -2.15 119.26 124.20 1sck h ALA 16 Ca -0.32 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1sck h ALA 16 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1sck h ALA 16 CO 0.41 -0.86 0.35 0.11 0.00 0.00 0.00 179.25 179.27 1sck h TRP 17 N 0.00 0.00 0.00 0.00 5.08 -1.93 0.10 115.95 119.20 1sck h TRP 17 Ca 0.31 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.27 1sck h TRP 17 Cb 1.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.50 1sck h TRP 17 CO 0.00 0.00 -0.07 0.97 -1.28 0.00 0.00 178.44 178.06 1sck h ILE 18 N 0.00 0.28 -0.48 0.12 6.09 -1.81 -1.87 117.51 119.85 1sck h ILE 18 Ca 0.10 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1sck h ILE 18 Cb 0.80 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1sck h ILE 18 CO -0.00 0.07 0.00 0.79 -3.07 0.00 0.00 178.15 175.93 1sck n TRP 19 N -3.34 0.96 0.31 2.19 7.02 0.02 -4.51 117.44 120.08 1sck n TRP 19 Ca -0.01 -0.40 0.20 0.00 -1.02 0.00 0.00 57.50 56.27 1sck n TRP 19 Cb 0.23 -0.14 1.06 0.00 -2.42 0.00 0.00 31.31 30.05 1sck n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 1sck h HIS 20 N 2.93 0.00 0.06 -5.99 2.07 -1.47 -1.05 115.15 111.69 1sck h HIS 20 Ca 0.00 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.14 1sck h HIS 20 Cb 0.99 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.93 1sck h HIS 20 CO 0.49 0.00 -2.21 1.63 -3.07 0.00 0.00 177.93 174.77 1sck n LYS 21 N -2.93 0.69 -0.07 5.12 5.02 -1.26 -4.44 118.16 120.29 1sck n LYS 21 Ca -0.02 0.23 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 1sck n LYS 21 Cb 0.09 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.46 1sck n LYS 21 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sck h LEU 22 N -0.07 0.92 0.05 -0.35 5.85 -1.65 -3.25 115.31 116.82 1sck h LEU 22 Ca -0.51 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 57.74 1sck h LEU 22 Cb 1.92 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 1sck h LEU 22 CO -0.03 1.28 -0.26 0.50 -0.34 0.00 0.00 178.44 179.59 1sck h LYS 23 N 0.64 -0.41 0.00 1.25 3.64 -1.43 -1.03 116.57 119.23 1sck h LYS 23 Ca 0.01 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1sck h LYS 23 Cb 1.15 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1sck h LYS 23 CO 0.12 -0.27 -0.19 -1.00 -2.27 0.00 0.00 179.45 175.83 1sck h PRO 24 N -0.43 0.00 -0.41 1.90 0.13 -1.78 -1.93 132.00 129.48 1sck h PRO 24 Ca 0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.02 1sck h PRO 24 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1sck h PRO 24 CO -0.19 0.19 -0.34 1.25 -0.23 0.00 0.00 178.00 178.68 1sck h LEU 25 N 0.00 1.01 -0.84 1.56 5.85 -1.45 -1.02 115.31 120.42 1sck h LEU 25 Ca -0.00 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 1sck h LEU 25 Cb 0.37 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1sck h LEU 25 CO 0.02 1.25 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.23 1sck h LEU 26 N 0.79 0.77 -1.08 2.25 3.38 -0.82 -2.37 115.31 118.23 1sck h LEU 26 Ca 0.07 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1sck h LEU 26 Cb 0.93 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1sck h LEU 26 CO 0.09 0.88 -0.35 -0.33 0.09 0.00 0.00 178.44 178.82 1sck h GLU 27 N 0.72 0.19 0.00 1.13 5.08 -1.15 -1.71 114.58 118.84 1sck h GLU 27 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1sck h GLU 27 Cb 0.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1sck h GLU 27 CO 0.03 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 1sck h ALA 28 N 1.47 1.00 -0.01 3.43 0.00 -0.66 0.21 119.26 124.71 1sck h ALA 28 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sck h ALA 28 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sck h ALA 28 CO 0.05 0.00 -0.37 1.28 0.00 0.00 0.00 179.25 180.21 1sck n LEU 29 N -2.45 1.28 0.00 0.00 4.77 -0.68 -4.95 117.00 114.97 1sck n LEU 29 Ca 0.01 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1sck n LEU 29 Cb 0.22 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1sck n LEU 29 CO 0.20 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1sck n GLY 30 N 1.38 0.80 3.91 -0.72 0.00 0.06 -4.98 105.19 105.65 1sck n GLY 30 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1sck n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sck s HIS 31 N -2.00 3.41 -0.14 1.61 3.76 -0.97 -4.79 115.29 116.17 1sck s HIS 31 Ca 0.00 0.77 -0.09 0.00 -0.15 0.00 0.00 55.06 55.59 1sck s HIS 31 Cb 0.00 -2.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.08 1sck s HIS 31 CO 0.00 -0.60 0.18 0.21 -0.85 0.00 0.00 174.74 173.68 1sck s LYS 32 N -4.91 3.80 -0.04 1.40 2.20 -0.59 -4.27 119.74 117.33 1sck s LYS 32 Ca 0.51 -0.09 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 1sck s LYS 32 Cb -0.10 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1sck s LYS 32 CO 0.46 0.57 -0.10 0.08 -0.36 0.00 0.00 175.35 176.00 1sck s VAL 33 N -0.45 0.89 -0.15 4.02 1.01 -1.26 -0.92 120.40 123.54 1sck s VAL 33 Ca 0.14 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1sck s VAL 33 Cb -0.12 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1sck s VAL 33 CO 0.03 0.28 -0.17 -0.89 0.00 0.00 0.00 175.10 174.35 1sck s THR 34 N 0.36 1.77 -0.32 3.92 2.01 -0.06 -4.98 115.64 118.35 1sck s THR 34 Ca -0.07 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 1sck s THR 34 Cb -0.11 -1.62 0.07 0.00 0.01 0.00 0.00 72.50 70.85 1sck s THR 34 CO 0.01 0.49 0.02 0.00 -0.69 0.00 0.00 174.62 174.46 1sck s ALA 35 N 1.26 2.84 0.34 7.40 0.00 -1.26 -0.50 121.76 131.83 1sck s ALA 35 Ca 0.01 -1.99 -0.07 0.00 0.00 0.00 0.00 51.96 49.91 1sck s ALA 35 Cb -0.14 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 1sck s ALA 35 CO -0.09 -1.40 0.65 -0.51 0.00 0.00 0.00 175.76 174.41 1sck s LEU 36 N 1.16 3.96 -0.25 0.00 1.43 -1.16 -4.81 118.68 119.01 1sck s LEU 36 Ca -0.02 0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 1sck s LEU 36 Cb -0.20 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 1sck s LEU 36 CO -0.03 -0.29 0.11 -1.81 0.23 0.00 0.00 176.35 174.56 1sck s ASP 37 N -3.17 5.47 1.03 2.29 1.01 -1.26 -3.54 116.67 118.51 1sck s ASP 37 Ca 0.47 -0.11 -0.17 0.00 0.71 0.00 0.00 52.55 53.45 1sck s ASP 37 Cb -0.11 -1.99 0.23 0.00 1.01 0.00 0.00 42.92 42.06 1sck s ASP 37 CO 0.31 -0.02 1.26 -0.76 0.21 0.00 0.00 175.17 176.16 1sck s LEU 38 N 1.55 2.10 0.31 1.23 1.43 -1.26 -4.75 118.68 119.29 1sck s LEU 38 Ca 0.06 0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 1sck s LEU 38 Cb -0.15 -2.33 -0.12 0.00 0.03 0.00 0.00 46.19 43.61 1sck s LEU 38 CO 0.06 -3.15 1.38 0.00 0.23 0.00 0.00 176.35 174.87 1sck n ALA 39 N -4.07 1.51 -2.12 4.21 0.00 -0.79 -1.84 120.51 117.42 1sck n ALA 39 Ca 0.15 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1sck n ALA 39 Cb 0.59 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1sck n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sck n ALA 40 N 1.04 -0.57 -2.46 0.00 0.00 -1.25 -4.96 120.51 112.30 1sck n ALA 40 Ca 0.07 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.44 1sck n ALA 40 Cb 0.35 -1.67 -0.12 0.00 0.00 0.00 0.00 19.45 18.01 1sck n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1sck s SER 41 N -2.11 2.79 1.53 0.00 0.01 -0.77 -4.67 113.70 110.47 1sck s SER 41 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1sck s SER 41 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1sck s SER 41 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1sck n GLY 42 N 0.42 3.54 1.83 3.44 0.00 -1.22 -0.84 105.19 112.37 1sck n GLY 42 Ca -0.14 0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1sck n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sck n VAL 43 N 0.00 2.78 -2.03 1.61 0.24 -1.26 -4.96 118.33 114.71 1sck n VAL 43 Ca 0.00 -1.53 -0.41 0.00 -2.04 0.00 0.00 64.34 60.36 1sck n VAL 43 Cb 0.00 -0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 1sck n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sck s ASP 44 N -0.98 6.66 0.51 -1.34 2.15 -0.02 -4.91 116.67 118.74 1sck s ASP 44 Ca 0.54 2.75 0.33 0.00 0.43 0.00 0.00 52.55 56.60 1sck s ASP 44 Cb 0.42 -2.65 1.49 0.00 -0.30 0.00 0.00 42.92 41.88 1sck s ASP 44 CO 0.15 -0.64 1.99 1.55 -0.17 0.00 0.00 175.17 178.05 1sck h PRO 45 N 3.71 0.00 -7.19 4.34 0.13 -1.93 -3.42 132.00 127.64 1sck h PRO 45 Ca -0.49 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 1sck h PRO 45 Cb 1.23 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 1sck h PRO 45 CO 0.68 0.00 0.38 1.03 -0.23 0.00 0.00 178.00 179.86 1sck s ARG 46 N -3.69 3.82 0.14 0.86 0.52 -1.26 -5.01 118.95 114.33 1sck s ARG 46 Ca 0.00 1.01 0.04 0.00 -0.52 0.00 0.00 55.73 56.26 1sck s ARG 46 Cb 0.10 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1sck s ARG 46 CO 0.47 -0.38 0.15 -0.65 0.02 0.00 0.00 175.30 174.91 1sck s GLN 47 N -4.06 3.02 0.46 3.54 -1.52 -1.26 -3.91 119.66 115.93 1sck s GLN 47 Ca 0.60 -0.76 0.15 0.00 -1.95 0.00 0.00 55.36 53.40 1sck s GLN 47 Cb -0.11 -2.74 1.11 0.00 -0.22 0.00 0.00 33.01 31.05 1sck s GLN 47 CO 0.32 0.51 2.02 0.97 -0.25 0.00 0.00 175.29 178.87 1sck h ILE 48 N 2.08 0.91 0.00 1.08 6.09 -1.83 -1.52 117.51 124.31 1sck h ILE 48 Ca -0.47 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1sck h ILE 48 Cb 1.19 0.60 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1sck h ILE 48 CO 0.65 0.05 0.00 -0.62 -3.07 0.00 0.00 178.15 175.17 1sck n GLU 49 N -4.46 0.13 0.00 2.19 4.71 -1.26 -0.81 120.64 121.14 1sck n GLU 49 Ca 0.07 0.57 0.12 0.00 -0.01 0.00 0.00 57.16 57.91 1sck n GLU 49 Cb 0.33 -1.87 0.32 0.00 -1.01 0.00 0.00 31.44 29.21 1sck n GLU 49 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1sck n GLU 50 N -2.14 0.01 -3.78 3.49 1.02 -0.57 -4.84 120.64 113.83 1sck n GLU 50 Ca -0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1sck n GLU 50 Cb 0.07 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 1sck n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sck s ILE 51 N -3.01 5.11 -1.86 -3.67 -1.09 0.01 -5.00 121.20 111.69 1sck s ILE 51 Ca 0.11 0.09 0.15 0.00 -2.23 0.00 0.00 60.65 58.77 1sck s ILE 51 Cb 0.18 -3.35 0.11 0.00 -1.58 0.00 0.00 42.46 37.82 1sck s ILE 51 CO 0.67 0.39 0.97 0.61 -1.23 0.00 0.00 174.94 176.35 1sck n GLY 52 N 4.00 0.07 3.71 6.18 0.00 -1.26 -4.95 105.19 112.94 1sck n GLY 52 Ca -0.16 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1sck n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sck s SER 53 N -1.30 -0.27 0.40 1.61 1.04 -1.26 -4.99 113.70 108.94 1sck s SER 53 Ca 0.17 -0.35 0.17 0.00 0.48 0.00 0.00 55.95 56.43 1sck s SER 53 Cb 0.13 0.54 0.87 0.00 0.10 0.00 0.00 66.02 67.65 1sck s SER 53 CO 0.20 -0.97 1.86 0.15 0.98 0.00 0.00 173.24 175.46 1sck h PHE 54 N 2.00 0.00 -0.39 5.02 3.04 -1.90 -1.13 116.94 123.58 1sck h PHE 54 Ca -0.23 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.60 1sck h PHE 54 Cb 1.25 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1sck h PHE 54 CO 0.36 0.32 -0.20 -0.44 -2.02 0.00 0.00 178.31 176.33 1sck h ASP 55 N 0.00 0.85 -0.33 0.41 5.19 -1.97 -1.27 116.42 119.31 1sck h ASP 55 Ca -0.00 -0.41 -0.11 0.00 -0.62 0.00 0.00 57.03 55.89 1sck h ASP 55 Cb 0.65 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1sck h ASP 55 CO 0.04 1.07 -0.20 -0.33 -3.12 0.00 0.00 179.24 176.71 1sck h GLU 56 N 0.63 0.81 -0.27 3.56 5.08 -1.86 -2.38 114.58 120.15 1sck h GLU 56 Ca 0.09 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1sck h GLU 56 Cb 0.76 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1sck h GLU 56 CO 0.06 0.94 0.14 -0.92 -1.00 0.00 0.00 179.01 178.23 1sck h TYR 57 N 0.71 0.36 -0.00 4.33 3.20 -1.03 -1.89 116.97 122.64 1sck h TYR 57 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1sck h TYR 57 Cb 0.72 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1sck h TYR 57 CO 0.04 0.27 -0.00 0.43 -1.64 0.00 0.00 178.16 177.25 1sck n SER 58 N -4.45 0.10 -0.27 -2.11 7.64 -0.49 -1.88 113.62 112.16 1sck n SER 58 Ca 0.01 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1sck n SER 58 Cb 0.10 -0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.37 1sck n SER 58 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1sck h GLU 59 N 0.16 -0.03 -0.76 1.43 4.22 -1.27 -0.54 114.58 117.78 1sck h GLU 59 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.56 1sck h GLU 59 Cb 0.04 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1sck h GLU 59 CO 0.00 -0.02 0.50 -1.35 -2.18 0.00 0.00 179.01 175.96 1sck h PRO 60 N -0.03 0.54 -0.14 0.92 0.11 -1.85 0.20 132.00 131.75 1sck h PRO 60 Ca 0.34 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 1sck h PRO 60 Cb 0.57 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1sck h PRO 60 CO -0.80 0.36 -0.27 1.25 -0.21 0.00 0.00 178.00 178.34 1sck h LEU 61 N 0.56 0.48 -0.62 2.35 5.85 -1.46 -1.44 115.31 121.03 1sck h LEU 61 Ca 0.36 -0.55 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1sck h LEU 61 Cb 0.63 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1sck h LEU 61 CO -0.13 0.94 0.25 -0.07 -0.34 0.00 0.00 178.44 179.09 1sck h LEU 62 N 0.03 0.86 -0.80 2.25 3.38 -0.73 -1.06 115.31 119.24 1sck h LEU 62 Ca 0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1sck h LEU 62 Cb 0.86 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1sck h LEU 62 CO 0.06 0.80 0.20 0.74 0.09 0.00 0.00 178.44 180.33 1sck h THR 63 N 0.87 1.26 -0.32 0.22 2.02 -0.64 -0.72 112.91 115.59 1sck h THR 63 Ca 0.21 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1sck h THR 63 Cb 0.21 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1sck h THR 63 CO -0.02 0.35 0.11 0.15 0.37 0.00 0.00 175.52 176.48 1sck h PHE 64 N 1.05 0.51 -0.46 3.16 3.57 -0.88 -2.40 116.94 121.49 1sck h PHE 64 Ca 0.23 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1sck h PHE 64 Cb 0.32 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1sck h PHE 64 CO 0.02 0.51 0.02 -0.07 -2.23 0.00 0.00 178.31 176.56 1sck h LEU 65 N 0.36 0.70 -1.43 0.59 3.38 -0.95 -2.30 115.31 115.66 1sck h LEU 65 Ca 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1sck h LEU 65 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1sck h LEU 65 CO -0.00 0.76 0.10 -0.08 0.09 0.00 0.00 178.44 179.31 1sck h GLU 66 N 0.70 0.48 0.00 1.13 4.57 -0.92 -2.27 114.58 118.27 1sck h GLU 66 Ca 0.14 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1sck h GLU 66 Cb 0.40 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1sck h GLU 66 CO 0.01 0.43 0.00 0.00 -1.18 0.00 0.00 179.01 178.28 1sck n ALA 67 N -2.48 2.10 -2.32 2.92 0.00 -0.87 -4.80 120.51 115.06 1sck n ALA 67 Ca 0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1sck n ALA 67 Cb 0.16 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1sck n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sck s LEU 68 N -2.96 4.32 0.73 0.00 1.43 -0.85 -5.00 118.68 116.36 1sck s LEU 68 Ca 0.13 2.03 -0.14 0.00 -1.03 0.00 0.00 54.13 55.12 1sck s LEU 68 Cb 0.16 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.85 1sck s LEU 68 CO 0.43 -0.62 1.18 -2.84 0.23 0.00 0.00 176.35 174.72 1sck s PRO 69 N 1.93 2.17 0.29 1.29 0.02 -1.26 -4.89 135.00 134.55 1sck s PRO 69 Ca 0.61 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.98 1sck s PRO 69 Cb -0.30 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.24 1sck s PRO 69 CO 0.26 -1.79 1.19 -2.30 -0.33 0.00 0.00 177.00 174.03 1sck n PRO 70 N -2.83 1.72 0.00 5.54 -0.02 -1.26 -2.02 135.00 136.14 1sck n PRO 70 Ca 0.13 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1sck n PRO 70 Cb 0.51 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1sck n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sck n GLY 71 N 1.30 3.25 3.68 -1.23 0.00 -1.26 -5.03 105.19 105.90 1sck n GLY 71 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1sck n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sck s GLU 72 N -0.55 4.34 0.16 1.61 2.02 -0.85 -5.05 118.70 120.38 1sck s GLU 72 Ca 0.00 1.09 0.10 0.00 0.02 0.00 0.00 54.97 56.18 1sck s GLU 72 Cb 0.00 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1sck s GLU 72 CO 0.00 -0.28 -0.16 0.15 0.02 0.00 0.00 175.26 174.98 1sck s LYS 73 N 1.97 1.82 0.21 1.61 1.02 -1.26 -4.73 119.74 120.38 1sck s LYS 73 Ca 0.41 -1.31 0.04 0.00 0.02 0.00 0.00 55.97 55.13 1sck s LYS 73 Cb -0.17 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1sck s LYS 73 CO 0.14 0.44 -0.04 0.14 -0.92 0.00 0.00 175.35 175.11 1sck s VAL 74 N -1.51 1.18 -0.24 3.17 -7.23 0.13 -4.58 120.40 111.33 1sck s VAL 74 Ca 0.21 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1sck s VAL 74 Cb -0.09 -2.22 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1sck s VAL 74 CO 0.12 -0.44 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.82 1sck s ILE 75 N -3.32 3.47 0.13 -0.62 1.01 -0.28 -0.66 121.20 120.94 1sck s ILE 75 Ca 0.25 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 1sck s ILE 75 Cb 0.04 -2.64 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 1sck s ILE 75 CO 0.07 0.33 0.70 -0.76 0.00 0.00 0.00 174.94 175.28 1sck s LEU 76 N 1.47 4.56 -0.16 2.97 1.43 -0.64 -1.02 118.68 127.30 1sck s LEU 76 Ca 0.05 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.63 1sck s LEU 76 Cb -0.15 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.95 1sck s LEU 76 CO -0.02 0.23 -0.03 -0.69 0.23 0.00 0.00 176.35 176.07 1sck s VAL 77 N -1.15 0.93 0.01 -1.59 1.01 -0.11 0.45 120.40 119.95 1sck s VAL 77 Ca 0.33 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1sck s VAL 77 Cb -0.22 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1sck s VAL 77 CO 0.23 0.09 -0.25 -0.83 0.00 0.00 0.00 175.10 174.34 1sck s GLY 78 N 1.71 1.36 -0.11 4.51 0.00 -0.23 0.03 107.32 114.59 1sck s GLY 78 Ca 0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1sck s GLY 78 CO -0.07 -1.02 -0.08 1.85 0.00 0.00 0.00 173.10 173.78 1sck s GLU 79 N -0.93 3.20 5.32 2.90 -6.30 -0.81 -0.50 118.70 121.59 1sck s GLU 79 Ca 0.11 -0.58 0.00 0.00 -2.50 0.00 0.00 54.97 52.00 1sck s GLU 79 Cb -0.10 -2.70 0.00 0.00 0.00 0.00 0.00 34.13 31.33 1sck s GLU 79 CO 0.01 0.42 0.00 0.43 0.02 0.00 0.00 175.26 176.13 1sck n SER 80 N 2.96 0.00 0.00 -1.70 7.64 -0.73 -0.74 113.62 121.06 1sck n SER 80 Ca -0.18 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.78 1sck n SER 80 Cb 0.53 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.11 1sck n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sck h GLY 82 N 2.85 0.00 1.67 0.00 0.00 -1.12 -1.31 103.07 105.15 1sck h GLY 82 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1sck h GLY 82 CO 0.00 0.00 0.14 -1.33 0.00 0.00 0.00 176.54 175.35 1sck h GLY 83 N 0.00 0.14 1.49 4.60 0.00 -1.71 -0.88 103.07 106.71 1sck h GLY 83 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 1sck h GLY 83 CO -0.00 0.04 -0.53 1.41 0.00 0.00 0.00 176.54 177.46 1sck h LEU 84 N 0.12 0.59 -0.98 3.11 3.38 -1.47 -2.01 115.31 118.05 1sck h LEU 84 Ca 0.09 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1sck h LEU 84 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1sck h LEU 84 CO -0.01 1.01 -0.18 0.78 0.09 0.00 0.00 178.44 180.13 1sck h ASN 85 N 0.41 0.53 -0.27 -0.43 4.21 -1.30 -1.76 115.58 116.98 1sck h ASN 85 Ca 0.01 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.34 1sck h ASN 85 Cb 1.07 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 1sck h ASN 85 CO 0.10 0.72 0.09 0.40 -1.29 0.00 0.00 177.43 177.45 1sck h ILE 86 N 0.48 1.19 -0.55 2.81 2.04 -1.08 -0.32 117.51 122.08 1sck h ILE 86 Ca 0.08 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1sck h ILE 86 Cb 0.58 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1sck h ILE 86 CO 0.04 0.20 0.31 0.00 0.00 0.00 0.00 178.15 178.71 1sck h ALA 87 N 0.92 0.71 -0.37 1.87 0.00 -1.13 0.14 119.26 121.40 1sck h ALA 87 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sck h ALA 87 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1sck h ALA 87 CO -0.00 0.21 0.20 0.82 0.00 0.00 0.00 179.25 180.48 1sck h ILE 88 N 0.74 1.15 -0.54 0.00 2.04 -1.20 -2.59 117.51 117.11 1sck h ILE 88 Ca 0.20 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1sck h ILE 88 Cb 0.02 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1sck h ILE 88 CO -0.03 0.16 0.03 0.00 0.00 0.00 0.00 178.15 178.30 1sck h ALA 89 N 1.06 1.03 0.00 1.87 0.00 -0.69 -2.96 119.26 119.57 1sck h ALA 89 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1sck h ALA 89 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sck h ALA 89 CO -0.02 0.61 -0.21 0.00 0.00 0.00 0.00 179.25 179.63 1sck h ALA 90 N 1.19 1.34 -0.01 0.00 0.00 -0.47 0.12 119.26 121.42 1sck h ALA 90 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sck h ALA 90 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sck h ALA 90 CO 0.02 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 1sck n ASP 91 N -3.83 0.33 0.00 0.00 8.00 -1.00 -2.36 116.55 117.70 1sck n ASP 91 Ca -0.02 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1sck n ASP 91 Cb 0.30 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1sck n ASP 91 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1sck n LYS 92 N -0.69 2.60 -2.62 -1.24 3.00 -0.78 -4.88 118.16 113.55 1sck n LYS 92 Ca 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.44 1sck n LYS 92 Cb 0.15 -0.89 0.04 0.00 0.00 0.00 0.00 35.03 34.32 1sck n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1sck n TYR 93 N -1.79 1.67 -0.16 5.64 4.01 0.34 -4.91 117.16 121.97 1sck n TYR 93 Ca 0.00 -2.20 0.15 0.00 -0.16 0.00 0.00 57.90 55.69 1sck n TYR 93 Cb 0.39 -0.26 0.50 0.00 -0.31 0.00 0.00 39.34 39.66 1sck n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sck h GLU 95 N 0.43 0.00 -0.14 0.00 9.09 -1.90 -2.24 114.58 119.81 1sck h GLU 95 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1sck h GLU 95 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 1sck h GLU 95 CO -0.11 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.58 1sck n LYS 96 N -2.65 2.32 -3.72 1.06 5.02 -0.22 -4.85 118.16 115.12 1sck n LYS 96 Ca 0.00 -1.94 -0.38 0.00 -2.02 0.00 0.00 58.31 53.97 1sck n LYS 96 Cb 0.21 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.62 1sck n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sck s ILE 97 N -1.85 4.00 0.19 -0.18 1.01 -0.84 -0.69 121.20 122.84 1sck s ILE 97 Ca 0.32 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1sck s ILE 97 Cb 0.21 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 1sck s ILE 97 CO 0.31 -0.11 1.52 0.00 0.00 0.00 0.00 174.94 176.66 1sck h ALA 98 N 8.27 0.72 -1.64 9.38 0.00 -1.18 -3.46 119.26 131.35 1sck h ALA 98 Ca -0.26 -0.50 0.23 0.00 0.00 0.00 0.00 54.91 54.38 1sck h ALA 98 Cb 1.10 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.63 1sck h ALA 98 CO 0.61 0.68 0.75 0.00 0.00 0.00 0.00 179.25 181.30 1sck s ALA 99 N -4.02 -2.03 -0.08 0.00 0.00 -1.25 -4.50 121.76 109.87 1sck s ALA 99 Ca -0.07 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.30 1sck s ALA 99 Cb 0.11 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1sck s ALA 99 CO 0.84 -0.67 -0.20 0.00 0.00 0.00 0.00 175.76 175.73 1sck s ALA 100 N -2.56 1.80 -0.17 0.00 0.00 0.09 -1.61 121.76 119.30 1sck s ALA 100 Ca 0.09 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1sck s ALA 100 Cb -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1sck s ALA 100 CO -0.05 0.24 -0.04 0.08 0.00 0.00 0.00 175.76 175.99 1sck s VAL 101 N 0.36 3.70 -0.23 0.00 1.01 0.17 -0.85 120.40 124.56 1sck s VAL 101 Ca -0.15 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1sck s VAL 101 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1sck s VAL 101 CO 0.06 0.47 0.12 -0.36 0.00 0.00 0.00 175.10 175.40 1sck s PHE 102 N 0.70 3.26 -0.47 5.22 0.40 0.90 -1.06 117.98 126.92 1sck s PHE 102 Ca -0.02 0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1sck s PHE 102 Cb -0.15 -2.23 0.12 0.00 0.51 0.00 0.00 43.02 41.28 1sck s PHE 102 CO 0.02 0.00 0.26 -1.58 0.70 0.00 0.00 175.22 174.62 1sck s HIS 103 N 1.03 3.53 -1.44 0.36 2.46 0.35 0.13 115.29 121.72 1sck s HIS 103 Ca 0.06 -2.59 -0.06 0.00 0.47 0.00 0.00 55.06 52.94 1sck s HIS 103 Cb -0.14 -3.17 0.01 0.00 -0.13 0.00 0.00 32.58 29.15 1sck s HIS 103 CO 0.04 -0.92 0.27 0.09 -2.47 0.00 0.00 174.74 171.75 1sck n ASN 104 N 4.18 -0.49 -4.45 9.88 3.02 -0.25 -2.66 115.26 124.49 1sck n ASN 104 Ca 0.01 -1.18 -0.24 0.00 -0.03 0.00 0.00 54.58 53.14 1sck n ASN 104 Cb 0.40 -2.16 -0.10 0.00 -0.61 0.00 0.00 39.78 37.30 1sck n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sck s SER 105 N -4.22 3.49 0.48 6.41 0.15 -1.26 -1.77 113.70 116.99 1sck s SER 105 Ca 0.10 -1.01 -0.22 0.00 0.70 0.00 0.00 55.95 55.51 1sck s SER 105 Cb -0.05 -0.28 -0.07 0.00 -1.71 0.00 0.00 66.02 63.91 1sck s SER 105 CO 0.95 0.03 1.20 0.68 1.20 0.00 0.00 173.24 177.31 1sck s VAL 106 N -2.44 2.89 -0.52 4.45 -7.23 0.11 -4.86 120.40 112.80 1sck s VAL 106 Ca 0.28 0.66 0.04 0.00 -1.81 0.00 0.00 61.98 61.14 1sck s VAL 106 Cb -0.05 -3.33 0.14 0.00 0.56 0.00 0.00 36.38 33.70 1sck s VAL 106 CO 0.14 -0.02 0.30 -0.22 -0.31 0.00 0.00 175.10 174.99 1sck s LEU 107 N -3.18 3.70 0.87 1.32 2.96 -1.26 -4.17 118.68 118.92 1sck s LEU 107 Ca 0.66 -3.05 -0.11 0.00 -0.22 0.00 0.00 54.13 51.41 1sck s LEU 107 Cb -0.31 -1.37 0.12 0.00 0.50 0.00 0.00 46.19 45.14 1sck s LEU 107 CO 0.37 -0.21 1.14 -2.84 -1.32 0.00 0.00 176.35 173.49 1sck s PRO 108 N -0.29 1.33 0.00 0.98 0.02 -1.26 -4.91 135.00 130.88 1sck s PRO 108 Ca 0.20 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1sck s PRO 108 Cb -0.20 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1sck s PRO 108 CO -0.04 -2.39 0.00 -0.40 -0.33 0.00 0.00 177.00 173.83 1sck n ASP 109 N -3.97 1.37 -0.00 2.53 5.68 -1.26 -5.03 116.55 115.87 1sck n ASP 109 Ca 0.12 -0.98 0.02 0.00 -0.50 0.00 0.00 54.79 53.45 1sck n ASP 109 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 1sck n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1sck n THR 110 N 0.00 0.00 0.08 2.12 -2.24 -1.26 -4.42 114.28 108.56 1sck n THR 110 Ca 0.00 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1sck n THR 110 Cb 0.00 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1sck n THR 110 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sck h GLU 111 N 0.00 0.00 -5.98 -0.78 4.39 -1.98 -3.44 114.58 106.79 1sck h GLU 111 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1sck h GLU 111 Cb 0.12 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.67 1sck h GLU 111 CO 0.00 0.41 -0.56 -1.01 -1.16 0.00 0.00 179.01 176.69 1sck s HIS 112 N -2.93 2.60 0.85 4.33 3.76 -1.26 -5.12 115.29 117.52 1sck s HIS 112 Ca 0.00 -0.49 -0.11 0.00 -0.15 0.00 0.00 55.06 54.32 1sck s HIS 112 Cb 0.08 -1.70 0.11 0.00 1.11 0.00 0.00 32.58 32.18 1sck s HIS 112 CO 0.78 0.35 1.13 0.00 -0.85 0.00 0.00 174.74 176.15 1sck h PRO 114 N -1.51 0.00 -0.00 0.00 0.11 -1.80 -1.47 132.00 127.32 1sck h PRO 114 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sck h PRO 114 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sck h PRO 114 CO 0.45 0.00 -0.18 -1.13 -0.21 0.00 0.00 178.00 176.94 1sck n SER 115 N -3.98 0.62 -0.37 -2.05 3.41 -1.25 -4.53 113.62 105.48 1sck n SER 115 Ca 0.10 -0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 58.02 1sck n SER 115 Cb 0.67 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.54 1sck n SER 115 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1sck h TYR 116 N 0.70 -1.68 0.00 7.33 3.20 -1.60 0.14 116.97 125.05 1sck h TYR 116 Ca 0.00 0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 1sck h TYR 116 Cb 0.42 0.86 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 1sck h TYR 116 CO 0.00 -0.39 -0.29 -0.39 -1.64 0.00 0.00 178.16 175.44 1sck h VAL 117 N -0.06 0.71 -0.26 1.81 -1.51 -1.83 -2.34 116.25 112.77 1sck h VAL 117 Ca 0.19 -1.29 -0.19 0.00 -1.23 0.00 0.00 66.70 64.17 1sck h VAL 117 Cb 0.48 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1sck h VAL 117 CO -0.89 0.29 -0.60 0.58 -1.23 0.00 0.00 177.57 175.72 1sck h VAL 118 N 0.00 1.27 -0.65 7.19 2.07 -1.42 -0.25 116.25 124.46 1sck h VAL 118 Ca -0.00 -1.78 -0.06 0.00 0.82 0.00 0.00 66.70 65.68 1sck h VAL 118 Cb 0.81 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1sck h VAL 118 CO 0.04 0.58 0.19 0.44 0.02 0.00 0.00 177.57 178.83 1sck h ASP 119 N 0.63 0.95 -0.45 0.57 3.32 -0.57 -1.63 116.42 119.24 1sck h ASP 119 Ca -0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 1sck h ASP 119 Cb 1.21 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1sck h ASP 119 CO 0.13 0.90 -0.23 0.50 -1.72 0.00 0.00 179.24 178.81 1sck h LYS 120 N 0.97 0.95 -0.74 3.56 1.63 -1.29 -2.67 116.57 118.99 1sck h LYS 120 Ca 0.21 -0.42 0.02 0.00 -0.85 0.00 0.00 60.65 59.61 1sck h LYS 120 Cb 0.30 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.87 1sck h LYS 120 CO -0.00 1.09 0.47 1.25 -3.45 0.00 0.00 179.45 178.81 1sck h LEU 121 N 0.80 0.80 -1.71 5.20 5.85 -0.62 -1.19 115.31 124.44 1sck h LEU 121 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1sck h LEU 121 Cb 0.81 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1sck h LEU 121 CO 0.07 0.56 -0.11 0.24 -0.34 0.00 0.00 178.44 178.86 1sck h MET 122 N 0.95 0.00 0.01 1.25 2.86 -1.17 0.15 114.93 118.98 1sck h MET 122 Ca 0.28 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.77 1sck h MET 122 Cb -0.04 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.63 1sck h MET 122 CO -0.09 0.11 -0.62 0.93 1.06 0.00 0.00 176.91 178.31 1sck h GLU 123 N 0.00 0.39 -0.04 1.72 5.08 -0.92 -2.79 114.58 118.02 1sck h GLU 123 Ca -0.00 -0.44 -0.18 0.00 -1.00 0.00 0.00 59.36 57.74 1sck h GLU 123 Cb 0.45 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1sck h GLU 123 CO 0.01 1.11 -0.75 0.28 -1.00 0.00 0.00 179.01 178.67 1sck h VAL 124 N -0.14 1.42 -2.52 3.13 2.07 -0.91 -3.37 116.25 115.93 1sck h VAL 124 Ca -0.08 -2.26 -0.60 0.00 0.82 0.00 0.00 66.70 64.58 1sck h VAL 124 Cb 1.34 2.21 -0.40 0.00 -1.52 0.00 0.00 31.29 32.92 1sck h VAL 124 CO 0.12 0.67 -0.81 0.33 0.02 0.00 0.00 177.57 177.90 1sck n PHE 125 N -3.79 1.21 0.14 1.57 7.35 0.49 -4.96 117.46 119.47 1sck n PHE 125 Ca -0.04 -3.80 0.01 0.00 -0.76 0.00 0.00 57.45 52.86 1sck n PHE 125 Cb 0.72 -0.25 0.07 0.00 0.35 0.00 0.00 39.48 40.37 1sck n PHE 125 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1sck h PRO 126 N 5.07 0.00 -4.20 -7.13 0.13 -1.67 -3.41 132.00 120.80 1sck h PRO 126 Ca 0.19 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.57 1sck h PRO 126 Cb 0.82 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.71 1sck h PRO 126 CO 0.57 0.57 -0.27 0.34 -0.23 0.00 0.00 178.00 178.98 1sck s ASP 127 N -6.51 6.17 -0.15 1.44 -1.08 -1.26 -4.91 116.67 110.37 1sck s ASP 127 Ca 0.03 -1.57 0.06 0.00 -0.52 0.00 0.00 52.55 50.54 1sck s ASP 127 Cb 0.09 -2.20 0.40 0.00 -1.46 0.00 0.00 42.92 39.75 1sck s ASP 127 CO 0.75 -0.77 1.22 0.79 0.52 0.00 0.00 175.17 177.68 1sck n TRP 128 N 5.24 1.19 0.00 -5.34 7.02 -1.26 -5.00 117.44 119.30 1sck n TRP 128 Ca -0.13 -0.57 0.00 0.00 -1.02 0.00 0.00 57.50 55.77 1sck n TRP 128 Cb 0.42 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 1sck n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sck n LYS 129 N 0.16 0.00 -0.07 -0.99 5.02 -1.26 -2.04 118.16 118.98 1sck n LYS 129 Ca 0.18 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.49 1sck n LYS 129 Cb 0.83 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.89 1sck n LYS 129 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1sck n ASP 130 N 6.76 0.73 -4.77 4.39 5.75 -1.26 -4.89 116.55 123.27 1sck n ASP 130 Ca 0.00 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.35 1sck n ASP 130 Cb 0.00 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 1sck n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1sck s THR 131 N -1.78 2.36 0.16 2.12 2.01 -0.86 -4.20 115.64 115.44 1sck s THR 131 Ca 0.07 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.48 1sck s THR 131 Cb 0.04 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1sck s THR 131 CO 0.05 0.07 0.05 0.42 -0.69 0.00 0.00 174.62 174.52 1sck s THR 132 N -0.73 4.05 0.19 -0.82 -4.23 -0.74 -4.84 115.64 108.52 1sck s THR 132 Ca 0.55 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1sck s THR 132 Cb -0.44 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1sck s THR 132 CO 0.54 -0.07 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.08 1sck s TYR 133 N -1.66 1.76 0.27 3.99 2.02 -1.26 -1.11 117.35 121.36 1sck s TYR 133 Ca 0.28 -0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 56.32 1sck s TYR 133 Cb -0.10 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1sck s TYR 133 CO 0.20 0.35 0.58 -0.59 -1.57 0.00 0.00 175.55 174.52 1sck s PHE 134 N -2.52 0.21 0.05 2.71 -0.71 -0.75 -4.98 117.98 111.99 1sck s PHE 134 Ca 0.19 -0.62 0.04 0.00 -1.04 0.00 0.00 56.93 55.50 1sck s PHE 134 Cb -0.03 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 1sck s PHE 134 CO 0.07 -1.12 -0.11 0.95 -1.34 0.00 0.00 175.22 173.66 1sck s THR 135 N -3.80 0.88 0.12 -4.49 -4.23 -1.26 -0.13 115.64 102.72 1sck s THR 135 Ca 0.19 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 1sck s THR 135 Cb -0.03 -0.86 -0.01 0.00 1.34 0.00 0.00 72.50 72.94 1sck s THR 135 CO 0.09 -0.21 0.20 -0.72 -0.54 0.00 0.00 174.62 173.44 1sck s TYR 136 N -1.15 0.34 -0.09 3.99 1.13 -0.76 -4.96 117.35 115.86 1sck s TYR 136 Ca -0.04 -0.75 0.02 0.00 -1.41 0.00 0.00 57.07 54.89 1sck s TYR 136 Cb -0.09 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.62 1sck s TYR 136 CO 0.01 -0.59 -0.12 0.99 -2.51 0.00 0.00 175.55 173.32 1sck s THR 137 N -3.92 3.18 -0.13 -3.49 2.01 -1.26 -0.49 115.64 111.53 1sck s THR 137 Ca 0.11 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 1sck s THR 137 Cb 0.05 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1sck s THR 137 CO -0.06 0.56 0.31 -0.75 -0.69 0.00 0.00 174.62 173.99 1sck s LYS 138 N -0.29 0.27 -1.51 4.92 2.47 -0.59 -4.89 119.74 120.11 1sck s LYS 138 Ca 0.02 0.64 -0.12 0.00 -1.56 0.00 0.00 55.97 54.96 1sck s LYS 138 Cb -0.13 -0.08 0.08 0.00 -1.46 0.00 0.00 37.83 36.24 1sck s LYS 138 CO 0.03 -0.17 0.90 -0.25 0.16 0.00 0.00 175.35 176.01 1sck n ASP 139 N 4.30 -3.89 0.00 1.43 8.00 -1.26 -1.56 116.55 123.57 1sck n ASP 139 Ca -0.24 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1sck n ASP 139 Cb 0.54 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.88 1sck n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sck n GLY 140 N -1.66 0.31 3.35 0.44 0.00 -1.26 -5.01 105.19 101.35 1sck n GLY 140 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1sck n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sck s LYS 141 N -0.78 1.80 -0.26 1.61 -0.14 -0.60 -5.10 119.74 116.27 1sck s LYS 141 Ca 0.00 -1.11 -0.22 0.00 -1.36 0.00 0.00 55.97 53.28 1sck s LYS 141 Cb 0.00 -1.98 -0.01 0.00 -1.68 0.00 0.00 37.83 34.16 1sck s LYS 141 CO 0.00 0.51 0.69 -2.00 -0.76 0.00 0.00 175.35 173.80 1sck s GLU 142 N -1.25 4.09 -0.08 1.68 2.12 -1.26 -1.55 118.70 122.45 1sck s GLU 142 Ca 0.12 0.62 -0.01 0.00 0.36 0.00 0.00 54.97 56.06 1sck s GLU 142 Cb -0.10 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 1sck s GLU 142 CO 0.02 -0.48 -0.02 0.42 -0.54 0.00 0.00 175.26 174.66 1sck s ILE 143 N 2.65 4.15 -0.36 -3.70 1.01 0.36 -4.97 121.20 120.34 1sck s ILE 143 Ca 0.29 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.47 1sck s ILE 143 Cb -0.15 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 1sck s ILE 143 CO 0.09 0.60 0.40 -0.89 0.00 0.00 0.00 174.94 175.14 1sck s THR 144 N -0.82 5.13 0.40 2.92 2.01 -1.26 -1.83 115.64 122.19 1sck s THR 144 Ca 0.12 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1sck s THR 144 Cb -0.11 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1sck s THR 144 CO 0.02 -0.18 0.60 -0.83 -0.69 0.00 0.00 174.62 173.55 1sck s GLY 145 N 1.75 1.52 0.05 4.40 0.00 0.82 -4.31 107.32 111.55 1sck s GLY 145 Ca 0.13 -1.11 -0.13 0.00 0.00 0.00 0.00 44.72 43.61 1sck s GLY 145 CO 0.12 -0.98 0.28 0.48 0.00 0.00 0.00 173.10 173.01 1sck s LEU 146 N -4.43 0.97 -0.18 0.66 2.34 0.16 -1.82 118.68 116.39 1sck s LEU 146 Ca 0.46 -0.26 -0.01 0.00 0.06 0.00 0.00 54.13 54.38 1sck s LEU 146 Cb -0.10 1.29 0.05 0.00 -0.56 0.00 0.00 46.19 46.87 1sck s LEU 146 CO 0.36 -0.63 -0.04 -0.75 -1.06 0.00 0.00 176.35 174.23 1sck s LYS 147 N -2.72 1.36 0.14 1.48 2.20 -0.26 -1.18 119.74 120.76 1sck s LYS 147 Ca -0.04 -0.58 -0.34 0.00 -0.36 0.00 0.00 55.97 54.65 1sck s LYS 147 Cb -0.00 -2.11 -0.14 0.00 -1.51 0.00 0.00 37.83 34.06 1sck s LYS 147 CO -0.04 -0.49 1.56 1.28 -0.36 0.00 0.00 175.35 177.30 1sck n LEU 148 N 4.86 2.94 -4.77 5.43 4.77 -1.26 -1.78 117.00 127.19 1sck n LEU 148 Ca -0.11 1.08 -0.38 0.00 -0.03 0.00 0.00 56.01 56.57 1sck n LEU 148 Cb 0.47 -1.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1sck n LEU 148 CO 0.16 -0.37 0.85 -0.83 -1.33 0.00 0.00 177.39 175.87 1sck s GLY 149 N 0.98 2.84 0.38 -0.72 0.00 -1.26 -4.85 107.32 104.70 1sck s GLY 149 Ca 0.80 0.98 0.09 0.00 0.00 0.00 0.00 44.72 46.60 1sck s GLY 149 CO 0.39 1.48 1.90 0.74 0.00 0.00 0.00 173.10 177.62 1sck h PHE 150 N 2.41 0.26 -0.21 1.90 0.04 -1.92 -0.50 116.94 118.92 1sck h PHE 150 Ca -0.49 -0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.07 1sck h PHE 150 Cb 1.24 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1sck h PHE 150 CO 0.54 0.39 -0.56 1.15 -0.60 0.00 0.00 178.31 179.23 1sck h THR 151 N 0.23 1.30 -0.47 -1.55 2.02 -1.93 -1.07 112.91 111.43 1sck h THR 151 Ca 0.05 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 1sck h THR 151 Cb 0.40 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1sck h THR 151 CO 0.02 0.56 0.29 0.25 0.37 0.00 0.00 175.52 177.01 1sck h LEU 152 N 0.48 0.57 -0.19 2.58 5.85 -1.76 0.06 115.31 122.90 1sck h LEU 152 Ca -0.01 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1sck h LEU 152 Cb 1.17 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1sck h LEU 152 CO 0.12 0.46 0.07 -0.07 -0.34 0.00 0.00 178.44 178.68 1sck h LEU 153 N 0.63 0.09 -0.21 2.25 3.38 -1.00 0.36 115.31 120.81 1sck h LEU 153 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1sck h LEU 153 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1sck h LEU 153 CO -0.03 0.08 0.07 -0.09 0.09 0.00 0.00 178.44 178.56 1sck h ARG 154 N 0.17 0.32 0.09 1.13 9.65 -0.87 0.19 114.38 125.06 1sck h ARG 154 Ca 0.08 -0.06 -0.29 0.00 -1.10 0.00 0.00 59.98 58.60 1sck h ARG 154 Cb 0.05 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1sck h ARG 154 CO -0.08 0.40 -1.50 0.93 2.80 0.00 0.00 179.97 182.52 1sck h GLU 155 N 0.17 0.19 0.00 0.20 5.08 -0.95 -3.13 114.58 116.14 1sck h GLU 155 Ca 0.07 -0.32 -0.20 0.00 -1.00 0.00 0.00 59.36 57.91 1sck h GLU 155 Cb 0.21 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1sck h GLU 155 CO -0.00 1.02 -1.88 0.09 -1.00 0.00 0.00 179.01 177.24 1sck n ASN 156 N -3.39 1.67 -0.12 1.42 4.13 0.11 -4.37 115.26 114.71 1sck n ASN 156 Ca -0.15 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 55.87 1sck n ASN 156 Cb 1.03 0.99 -0.08 0.00 -1.54 0.00 0.00 39.78 40.18 1sck n ASN 156 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1sck n LEU 157 N -2.41 1.89 -2.07 3.41 4.32 -1.08 -3.80 117.00 117.26 1sck n LEU 157 Ca -0.18 0.33 -0.21 0.00 -0.02 0.00 0.00 56.01 55.92 1sck n LEU 157 Cb 0.83 -0.77 0.15 0.00 -1.62 0.00 0.00 43.42 42.01 1sck n LEU 157 CO 0.29 0.36 1.20 -1.22 -1.22 0.00 0.00 177.39 176.80 1sck n TYR 158 N -4.25 2.66 -0.37 -1.77 4.02 0.65 -3.62 117.16 114.49 1sck n TYR 158 Ca -0.44 -1.75 0.01 0.00 -0.01 0.00 0.00 57.90 55.71 1sck n TYR 158 Cb 0.79 -0.89 0.06 0.00 -0.02 0.00 0.00 39.34 39.28 1sck n TYR 158 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1sck n THR 159 N -0.89 -0.49 -0.54 -0.72 -1.04 -1.18 -1.53 114.28 107.89 1sck n THR 159 Ca 0.52 2.27 0.07 0.00 -2.04 0.00 0.00 64.05 64.87 1sck n THR 159 Cb 1.44 -3.03 0.20 0.00 -1.82 0.00 0.00 70.33 67.12 1sck n THR 159 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sck n LEU 160 N -5.47 3.39 -4.86 -4.42 4.77 -1.26 -4.97 117.00 104.17 1sck n LEU 160 Ca 0.11 -2.46 -0.31 0.00 -0.03 0.00 0.00 56.01 53.33 1sck n LEU 160 Cb 0.41 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1sck n LEU 160 CO -0.13 0.71 0.67 0.00 -1.33 0.00 0.00 177.39 177.31 1sck s GLY 162 N -3.71 1.63 0.55 0.00 0.00 -1.26 -4.84 107.32 99.69 1sck s GLY 162 Ca 0.56 -0.15 0.29 0.00 0.00 0.00 0.00 44.72 45.41 1sck s GLY 162 CO 0.44 0.27 2.13 -0.56 0.00 0.00 0.00 173.10 175.39 1sck h PRO 163 N -1.15 0.00 -0.09 2.90 0.13 -1.96 -1.78 132.00 130.05 1sck h PRO 163 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1sck h PRO 163 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1sck h PRO 163 CO 0.58 0.08 -0.54 0.93 -0.23 0.00 0.00 178.00 178.82 1sck h GLU 164 N 0.00 0.25 0.11 0.86 5.08 -1.99 -0.74 114.58 118.15 1sck h GLU 164 Ca -0.00 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.02 1sck h GLU 164 Cb 0.23 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1sck h GLU 164 CO 0.01 0.73 -0.79 0.93 -1.00 0.00 0.00 179.01 178.89 1sck h GLU 165 N 0.19 0.34 -0.60 2.33 4.39 -1.76 -3.17 114.58 116.31 1sck h GLU 165 Ca 0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1sck h GLU 165 Cb 1.02 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 1sck h GLU 165 CO 0.08 1.22 0.38 -0.92 -1.16 0.00 0.00 179.01 178.62 1sck h TYR 166 N -0.27 0.77 -0.85 4.33 3.20 -1.33 -1.88 116.97 120.94 1sck h TYR 166 Ca -0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 1sck h TYR 166 Cb 1.59 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 1sck h TYR 166 CO 0.18 0.50 0.49 1.49 -1.64 0.00 0.00 178.16 179.18 1sck h GLU 167 N 0.82 1.17 -0.99 1.82 4.57 -1.16 -1.65 114.58 119.16 1sck h GLU 167 Ca 0.22 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1sck h GLU 167 Cb -0.07 -0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 28.22 1sck h GLU 167 CO -0.04 0.84 0.64 -0.07 -1.18 0.00 0.00 179.01 179.19 1sck h LEU 168 N 1.18 1.04 -0.40 1.64 3.38 -1.31 -0.85 115.31 119.98 1sck h LEU 168 Ca 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1sck h LEU 168 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1sck h LEU 168 CO -0.05 0.68 0.15 0.00 0.09 0.00 0.00 178.44 179.31 1sck h ALA 169 N 1.45 0.52 -0.24 1.53 0.00 -1.13 0.39 119.26 121.78 1sck h ALA 169 Ca 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1sck h ALA 169 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sck h ALA 169 CO -0.15 0.13 -0.08 0.87 0.00 0.00 0.00 179.25 180.02 1sck h LYS 170 N 0.50 0.39 0.17 0.00 1.57 -0.70 -0.61 116.57 117.89 1sck h LYS 170 Ca 0.13 -0.09 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 1sck h LYS 170 Cb 0.20 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1sck h LYS 170 CO -0.01 0.48 -1.38 0.52 -0.57 0.00 0.00 179.45 178.50 1sck h MET 171 N 0.37 0.35 0.00 3.15 2.86 -0.78 -3.40 114.93 117.48 1sck h MET 171 Ca 0.08 -0.61 -0.05 0.00 -2.06 0.00 0.00 59.70 57.06 1sck h MET 171 Cb 0.38 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1sck h MET 171 CO 0.02 1.28 -1.88 1.28 1.06 0.00 0.00 176.91 178.66 1sck n LEU 172 N -3.58 0.00 -4.77 1.22 4.77 0.13 -4.99 117.00 109.78 1sck n LEU 172 Ca -0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 1sck n LEU 172 Cb 1.05 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 42.20 1sck n LEU 172 CO 0.55 0.06 1.13 0.42 -1.33 0.00 0.00 177.39 178.23 1sck s THR 173 N -3.14 2.14 0.36 -5.08 -4.23 -0.24 -4.79 115.64 100.66 1sck s THR 173 Ca -0.07 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.64 1sck s THR 173 Cb 0.11 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 1sck s THR 173 CO 0.75 0.03 0.02 -0.13 -0.54 0.00 0.00 174.62 174.75 1sck s ARG 174 N -1.89 1.78 0.46 3.99 0.52 -0.80 -5.01 118.95 118.00 1sck s ARG 174 Ca 0.53 -1.98 -0.24 0.00 -0.52 0.00 0.00 55.73 53.52 1sck s ARG 174 Cb -0.46 -1.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 1sck s ARG 174 CO 0.60 -0.09 1.30 -1.59 0.02 0.00 0.00 175.30 175.55 1sck s LYS 175 N -3.78 3.70 0.00 3.54 -2.85 -1.26 -4.37 119.74 114.71 1sck s LYS 175 Ca 0.35 2.12 0.00 0.00 -1.00 0.00 0.00 55.97 57.44 1sck s LYS 175 Cb 0.08 -2.55 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1sck s LYS 175 CO 0.16 -0.71 0.00 0.41 0.10 0.00 0.00 175.35 175.32 1sck n GLY 176 N 0.62 3.82 3.52 0.59 0.00 -0.33 -4.69 105.19 108.72 1sck n GLY 176 Ca 0.06 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1sck n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sck s SER 177 N 1.03 -0.63 0.13 1.61 0.15 -1.26 -0.66 113.70 114.06 1sck s SER 177 Ca 0.00 0.64 0.24 0.00 0.70 0.00 0.00 55.95 57.53 1sck s SER 177 Cb 0.00 0.53 0.26 0.00 -1.71 0.00 0.00 66.02 65.10 1sck s SER 177 CO 0.00 -0.62 1.25 -0.07 1.20 0.00 0.00 173.24 175.00 1sck h LEU 178 N 2.89 0.00 0.11 3.45 3.38 -1.97 -3.48 115.31 119.68 1sck h LEU 178 Ca -0.27 -0.20 -0.42 0.00 0.09 0.00 0.00 57.88 57.09 1sck h LEU 178 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1sck h LEU 178 CO 0.38 0.10 -0.63 0.49 0.09 0.00 0.00 178.44 178.87 1sck n PHE 179 N -2.19 -1.90 -0.09 1.13 3.72 -1.26 -4.86 117.46 112.01 1sck n PHE 179 Ca 0.03 0.60 -0.06 0.00 -0.05 0.00 0.00 57.45 57.96 1sck n PHE 179 Cb 0.46 -3.30 0.00 0.00 -0.94 0.00 0.00 39.48 35.70 1sck n PHE 179 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1sck h GLN 180 N -1.29 0.07 0.00 -1.08 4.15 -1.92 0.19 115.11 115.24 1sck h GLN 180 Ca -0.49 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 1sck h GLN 180 Cb 1.32 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1sck h GLN 180 CO 0.59 0.05 -0.26 -2.95 -1.93 0.00 0.00 178.83 174.33 1sck h ASN 181 N 0.08 0.00 0.14 -0.69 -1.07 -1.94 -1.75 115.58 110.35 1sck h ASN 181 Ca 0.16 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.24 1sck h ASN 181 Cb 0.22 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.49 1sck h ASN 181 CO -0.27 0.26 -1.16 0.40 0.07 0.00 0.00 177.43 176.72 1sck h ILE 182 N 0.00 1.30 -0.58 6.14 1.08 -1.76 -3.18 117.51 120.52 1sck h ILE 182 Ca -0.00 -2.42 -0.04 0.00 -0.39 0.00 0.00 64.86 62.00 1sck h ILE 182 Cb 0.63 2.58 -0.03 0.00 -3.07 0.00 0.00 36.82 36.94 1sck h ILE 182 CO 0.03 0.74 0.18 -0.07 -0.69 0.00 0.00 178.15 178.34 1sck h LEU 183 N 0.30 0.80 -1.89 1.44 3.38 -0.68 -2.29 115.31 116.38 1sck h LEU 183 Ca -0.16 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1sck h LEU 183 Cb 1.82 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1sck h LEU 183 CO 0.22 0.76 0.11 0.00 0.09 0.00 0.00 178.44 179.62 1sck h ALA 184 N 1.35 1.96 -0.17 1.53 0.00 -1.31 -2.06 119.26 120.56 1sck h ALA 184 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sck h ALA 184 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sck h ALA 184 CO -0.01 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1sck n LYS 185 N -4.51 2.21 -2.69 0.00 5.02 -0.96 -4.83 118.16 112.41 1sck n LYS 185 Ca -0.00 -1.99 -0.36 0.00 -2.02 0.00 0.00 58.31 53.95 1sck n LYS 185 Cb 0.13 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1sck n LYS 185 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1sck s ARG 186 N -1.66 4.30 0.54 1.97 3.52 -0.78 -5.00 118.95 121.85 1sck s ARG 186 Ca 0.30 1.35 -0.22 0.00 -0.13 0.00 0.00 55.73 57.04 1sck s ARG 186 Cb 0.20 -2.52 -0.06 0.00 -1.56 0.00 0.00 34.95 31.01 1sck s ARG 186 CO 0.28 0.01 1.25 -2.30 -0.81 0.00 0.00 175.30 173.74 1sck n PRO 187 N -0.05 1.52 -1.57 5.12 -0.02 -1.26 -4.54 135.00 134.21 1sck n PRO 187 Ca 0.05 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 1sck n PRO 187 Cb 0.51 -2.45 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1sck n PRO 187 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1sck s PHE 188 N -1.32 2.01 0.42 6.00 0.40 -1.26 -4.73 117.98 119.49 1sck s PHE 188 Ca 0.71 1.54 -0.25 0.00 -0.60 0.00 0.00 56.93 58.34 1sck s PHE 188 Cb -0.43 -3.62 -0.08 0.00 0.51 0.00 0.00 43.02 39.39 1sck s PHE 188 CO 0.50 -2.87 1.19 -0.06 0.70 0.00 0.00 175.22 174.67 1sck s PHE 189 N -1.63 2.98 0.37 0.36 0.08 -1.26 -4.99 117.98 113.88 1sck s PHE 189 Ca 0.80 1.53 -0.10 0.00 0.12 0.00 0.00 56.93 59.28 1sck s PHE 189 Cb -0.34 -3.43 -0.06 0.00 -0.57 0.00 0.00 43.02 38.61 1sck s PHE 189 CO 0.43 -1.48 0.72 0.95 -0.10 0.00 0.00 175.22 175.74 1sck s THR 190 N -1.43 4.83 0.14 0.64 -4.23 -1.26 -4.57 115.64 109.76 1sck s THR 190 Ca 0.59 0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 61.60 1sck s THR 190 Cb -0.31 -3.72 -0.16 0.00 1.34 0.00 0.00 72.50 69.65 1sck s THR 190 CO 0.39 -0.44 1.34 0.11 -0.54 0.00 0.00 174.62 175.48 1sck h LYS 191 N 1.47 0.41 -0.05 3.99 1.57 -1.94 0.20 116.57 122.22 1sck h LYS 191 Ca -0.47 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 57.79 1sck h LYS 191 Cb 1.19 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1sck h LYS 191 CO 0.65 1.07 -0.47 0.93 -0.57 0.00 0.00 179.45 181.05 1sck h GLU 192 N 0.24 0.12 0.00 3.15 4.39 -1.94 -2.09 114.58 118.45 1sck h GLU 192 Ca -0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1sck h GLU 192 Cb 1.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1sck h GLU 192 CO 0.15 0.57 0.00 0.41 -1.16 0.00 0.00 179.01 178.99 1sck n GLY 193 N -0.10 0.19 0.32 -3.84 0.00 -1.23 -4.31 105.19 96.23 1sck n GLY 193 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1sck n GLY 193 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sck h TYR 194 N 0.00 0.86 0.00 1.61 3.20 -1.56 -0.98 116.97 120.10 1sck h TYR 194 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1sck h TYR 194 Cb 0.00 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 1sck h TYR 194 CO 0.00 0.18 -0.05 0.78 -1.64 0.00 0.00 178.16 177.43 1sck h GLY 195 N 0.65 0.00 1.65 1.82 0.00 -0.88 -2.93 103.07 103.38 1sck h GLY 195 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1sck h GLY 195 CO -0.38 0.00 -0.32 1.48 0.00 0.00 0.00 176.54 177.31 1sck h SER 196 N 0.00 0.00 -4.10 0.19 4.64 -0.45 -3.47 113.55 110.36 1sck h SER 196 Ca -0.00 -0.03 -0.47 0.00 -0.47 0.00 0.00 61.79 60.82 1sck h SER 196 Cb 0.13 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1sck h SER 196 CO 0.01 0.01 0.38 0.27 -0.87 0.00 0.00 176.83 176.63 1sck s ILE 197 N -3.23 3.96 0.16 0.95 -4.36 -1.11 -5.00 121.20 112.58 1sck s ILE 197 Ca 0.06 1.15 -0.30 0.00 -0.26 0.00 0.00 60.65 61.29 1sck s ILE 197 Cb 0.08 -3.49 -0.08 0.00 1.25 0.00 0.00 42.46 40.23 1sck s ILE 197 CO 0.69 -0.34 1.19 -0.54 0.24 0.00 0.00 174.94 176.19 1sck s LYS 198 N -3.44 4.49 -0.14 0.37 -0.14 -1.26 -4.93 119.74 114.68 1sck s LYS 198 Ca 0.65 1.85 0.01 0.00 -1.36 0.00 0.00 55.97 57.11 1sck s LYS 198 Cb -0.14 -3.26 0.02 0.00 -1.68 0.00 0.00 37.83 32.76 1sck s LYS 198 CO 0.23 -0.10 -0.15 0.15 -0.76 0.00 0.00 175.35 174.71 1sck s LYS 199 N -0.02 2.30 -0.20 1.68 1.02 -1.26 -0.73 119.74 122.53 1sck s LYS 199 Ca 0.54 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.92 1sck s LYS 199 Cb -0.32 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1sck s LYS 199 CO 0.35 -0.18 -0.03 0.42 -0.92 0.00 0.00 175.35 174.99 1sck s ILE 200 N 1.31 3.61 -0.30 2.17 1.09 -0.03 -0.60 121.20 128.44 1sck s ILE 200 Ca 0.01 -0.43 -0.09 0.00 -1.10 0.00 0.00 60.65 59.04 1sck s ILE 200 Cb -0.14 -2.62 -0.00 0.00 -1.06 0.00 0.00 42.46 38.64 1sck s ILE 200 CO -0.08 0.44 0.13 -0.47 -0.10 0.00 0.00 174.94 174.86 1sck s TYR 201 N 1.08 3.16 -0.11 3.97 6.14 0.17 -0.07 117.35 131.69 1sck s TYR 201 Ca 0.01 -0.68 -0.00 0.00 0.64 0.00 0.00 57.07 57.04 1sck s TYR 201 Cb -0.15 -2.32 -0.02 0.00 0.42 0.00 0.00 41.96 39.89 1sck s TYR 201 CO 0.00 -0.49 -0.09 0.08 0.64 0.00 0.00 175.55 175.70 1sck s VAL 202 N 1.58 3.46 0.26 3.14 1.01 0.12 -0.35 120.40 129.62 1sck s VAL 202 Ca 0.04 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 1sck s VAL 202 Cb -0.17 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1sck s VAL 202 CO 0.05 0.55 0.78 -1.66 0.00 0.00 0.00 175.10 174.81 1sck s TRP 203 N -0.13 -0.16 0.00 5.22 1.48 -0.65 -1.09 118.94 123.61 1sck s TRP 203 Ca 0.01 -0.28 0.02 0.00 -1.06 0.00 0.00 56.10 54.79 1sck s TRP 203 Cb -0.13 0.70 -0.01 0.00 -1.16 0.00 0.00 33.47 32.87 1sck s TRP 203 CO 0.03 -1.17 -0.08 -0.08 -4.06 0.00 0.00 176.95 171.60 1sck s THR 204 N -3.70 0.59 -2.00 0.66 -1.32 -1.26 -0.16 115.64 108.45 1sck s THR 204 Ca 0.12 -0.40 0.14 0.00 -1.21 0.00 0.00 61.69 60.33 1sck s THR 204 Cb -0.05 -0.51 0.39 0.00 -1.51 0.00 0.00 72.50 70.81 1sck s THR 204 CO 0.06 0.11 1.45 -0.90 -2.21 0.00 0.00 174.62 173.14 1sck n ASP 205 N 2.75 0.00 -1.32 8.08 5.68 -1.26 -2.77 116.55 127.72 1sck n ASP 205 Ca -0.14 -1.39 0.12 0.00 -0.50 0.00 0.00 54.79 52.88 1sck n ASP 205 Cb 0.57 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.86 1sck n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sck n GLN 206 N -0.73 2.70 -2.14 0.11 6.02 -1.26 -4.68 117.38 117.39 1sck n GLN 206 Ca 0.10 -2.61 -0.42 0.00 -0.01 0.00 0.00 57.00 54.06 1sck n GLN 206 Cb 0.05 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 1sck n GLN 206 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sck s ASP 207 N -1.07 6.77 0.00 1.08 -1.08 -1.11 -4.47 116.67 116.79 1sck s ASP 207 Ca 0.47 2.12 0.21 0.00 -0.52 0.00 0.00 52.55 54.83 1sck s ASP 207 Cb 0.25 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.97 1sck s ASP 207 CO 0.33 -0.83 1.58 -0.62 0.52 0.00 0.00 175.17 176.15 1sck n GLU 208 N 6.33 1.63 0.00 4.34 -0.58 -1.25 -4.07 120.64 127.05 1sck n GLU 208 Ca 0.15 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 1sck n GLU 208 Cb 0.43 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1sck n GLU 208 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1sck n ILE 209 N 0.17 0.00 -2.87 -3.67 3.06 -1.25 -4.80 119.36 110.00 1sck n ILE 209 Ca 0.16 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.97 1sck n ILE 209 Cb 0.30 -1.13 0.00 0.00 0.54 0.00 0.00 39.64 39.35 1sck n ILE 209 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1sck n PHE 210 N -2.79 4.46 -1.15 9.51 3.01 -1.26 -4.81 117.46 124.43 1sck n PHE 210 Ca 0.00 -3.28 -0.34 0.00 1.01 0.00 0.00 57.45 54.84 1sck n PHE 210 Cb 0.36 -2.03 0.11 0.00 -0.01 0.00 0.00 39.48 37.90 1sck n PHE 210 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1sck n LEU 211 N 4.68 3.29 -0.28 4.37 4.77 -1.26 -4.63 117.00 127.93 1sck n LEU 211 Ca 0.35 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 57.00 1sck n LEU 211 Cb 0.40 -1.42 0.24 0.00 -2.33 0.00 0.00 43.42 40.32 1sck n LEU 211 CO 0.65 -2.15 1.03 -0.65 -1.33 0.00 0.00 177.39 174.95 1sck h PRO 212 N -0.76 0.43 -0.72 3.23 0.11 -1.83 0.12 132.00 132.58 1sck h PRO 212 Ca -0.46 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1sck h PRO 212 Cb 1.31 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1sck h PRO 212 CO 0.44 0.28 0.40 1.49 -0.21 0.00 0.00 178.00 180.40 1sck h GLU 213 N 0.44 0.68 -0.04 1.05 4.81 -1.99 0.13 114.58 119.67 1sck h GLU 213 Ca 0.48 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1sck h GLU 213 Cb 0.82 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1sck h GLU 213 CO -0.46 0.45 -0.02 0.35 -0.73 0.00 0.00 179.01 178.60 1sck h PHE 214 N 0.71 0.09 -0.62 0.92 3.57 -1.35 -1.85 116.94 118.41 1sck h PHE 214 Ca 0.33 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1sck h PHE 214 Cb 0.26 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1sck h PHE 214 CO -0.08 0.49 0.05 1.96 -2.23 0.00 0.00 178.31 178.50 1sck h GLN 215 N -0.33 1.05 -0.10 1.11 4.20 -0.99 -0.30 115.11 119.75 1sck h GLN 215 Ca 0.01 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 1sck h GLN 215 Cb 0.46 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1sck h GLN 215 CO 0.01 1.00 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.72 1sck h LEU 216 N 0.98 0.22 -0.57 1.46 3.38 -0.81 -1.45 115.31 118.51 1sck h LEU 216 Ca 0.18 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1sck h LEU 216 Cb 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1sck h LEU 216 CO 0.02 0.58 -0.10 -0.25 0.09 0.00 0.00 178.44 178.78 1sck h TRP 217 N 0.18 1.16 -0.53 1.13 7.01 -0.81 -2.25 115.95 121.84 1sck h TRP 217 Ca 0.02 -0.24 -0.08 0.00 2.11 0.00 0.00 58.89 60.70 1sck h TRP 217 Cb 0.75 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 1sck h TRP 217 CO 0.01 1.06 0.01 1.96 -2.79 0.00 0.00 178.44 178.69 1sck h GLN 218 N 0.92 0.94 -0.76 2.65 4.20 -0.51 -0.56 115.11 121.99 1sck h GLN 218 Ca 0.14 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1sck h GLN 218 Cb 0.67 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1sck h GLN 218 CO 0.05 0.95 0.34 0.82 -0.67 0.00 0.00 178.83 180.32 1sck h ILE 219 N 0.81 1.24 -0.10 2.54 2.04 -1.17 -1.81 117.51 121.06 1sck h ILE 219 Ca 0.15 -0.72 -0.20 0.00 1.00 0.00 0.00 64.86 65.09 1sck h ILE 219 Cb 0.52 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1sck h ILE 219 CO 0.03 0.30 -0.75 -0.08 0.00 0.00 0.00 178.15 177.65 1sck h GLU 220 N 1.09 0.54 -0.60 2.37 4.22 -1.25 -3.17 114.58 117.79 1sck h GLU 220 Ca 0.26 -0.44 -0.10 0.00 0.08 0.00 0.00 59.36 59.16 1sck h GLU 220 Cb 0.15 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1sck h GLU 220 CO -0.03 1.07 -0.02 -0.97 -2.18 0.00 0.00 179.01 176.89 1sck h ASN 221 N 0.37 1.05 -2.38 1.04 -1.24 -0.77 -3.40 115.58 110.25 1sck h ASN 221 Ca -0.04 -0.31 -0.48 0.00 0.71 0.00 0.00 56.30 56.18 1sck h ASN 221 Cb 1.34 -0.28 -0.36 0.00 0.73 0.00 0.00 38.32 39.75 1sck h ASN 221 CO 0.14 1.11 -0.76 -0.47 -1.29 0.00 0.00 177.43 176.15 1sck s TYR 222 N -5.00 0.20 -0.23 0.67 5.04 -0.71 -5.08 117.35 112.24 1sck s TYR 222 Ca -0.12 -1.07 -0.34 0.00 -2.44 0.00 0.00 57.07 53.10 1sck s TYR 222 Cb 0.13 -0.70 -0.11 0.00 0.35 0.00 0.00 41.96 41.63 1sck s TYR 222 CO 0.86 -0.88 2.05 1.17 -1.34 0.00 0.00 175.55 177.41 1sck n LYS 223 N 4.48 1.63 -1.39 4.97 4.81 -1.20 -4.66 118.16 126.81 1sck n LYS 223 Ca 0.07 0.53 -0.31 0.00 -0.87 0.00 0.00 58.31 57.72 1sck n LYS 223 Cb 0.41 -2.64 0.08 0.00 0.02 0.00 0.00 35.03 32.90 1sck n LYS 223 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1sck s PRO 224 N 5.28 2.49 0.28 1.64 0.02 -1.26 -4.94 135.00 138.51 1sck s PRO 224 Ca 1.01 1.12 0.11 0.00 0.02 0.00 0.00 61.00 63.26 1sck s PRO 224 Cb -0.72 -1.93 0.37 0.00 0.02 0.00 0.00 34.50 32.24 1sck s PRO 224 CO 0.49 -1.46 1.62 -0.44 -0.33 0.00 0.00 177.00 176.88 1sck h ASP 225 N -0.92 0.00 -4.25 2.53 3.32 -1.23 -3.45 116.42 112.42 1sck h ASP 225 Ca -0.44 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 1sck h ASP 225 Cb 1.23 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 1sck h ASP 225 CO 0.53 0.60 -0.17 -0.75 -1.72 0.00 0.00 179.24 177.73 1sck s LYS 226 N -3.62 0.61 -0.09 3.56 2.47 -1.16 -5.04 119.74 116.47 1sck s LYS 226 Ca -0.01 0.41 0.03 0.00 -1.56 0.00 0.00 55.97 54.83 1sck s LYS 226 Cb 0.13 0.29 0.01 0.00 -1.46 0.00 0.00 37.83 36.79 1sck s LYS 226 CO 0.76 -0.11 -0.16 0.08 0.16 0.00 0.00 175.35 176.08 1sck s VAL 227 N -0.25 1.47 -0.16 4.02 1.01 -1.26 -0.65 120.40 124.58 1sck s VAL 227 Ca -0.04 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1sck s VAL 227 Cb -0.03 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1sck s VAL 227 CO 0.02 0.43 -0.17 -0.31 0.00 0.00 0.00 175.10 175.07 1sck s TYR 228 N 0.68 2.76 -0.24 5.22 1.51 0.53 -4.97 117.35 122.85 1sck s TYR 228 Ca -0.13 -1.24 -0.06 0.00 -1.01 0.00 0.00 57.07 54.63 1sck s TYR 228 Cb -0.16 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1sck s TYR 228 CO 0.03 -0.58 0.02 0.21 -1.11 0.00 0.00 175.55 174.12 1sck s LYS 229 N 0.95 3.52 -0.19 -0.62 2.20 -1.26 -1.64 119.74 122.71 1sck s LYS 229 Ca -0.03 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 54.87 1sck s LYS 229 Cb -0.15 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1sck s LYS 229 CO -0.03 -0.20 0.42 0.08 -0.36 0.00 0.00 175.35 175.26 1sck s VAL 230 N 1.56 5.19 0.14 4.02 1.01 0.77 -4.97 120.40 128.12 1sck s VAL 230 Ca 0.06 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1sck s VAL 230 Cb -0.15 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1sck s VAL 230 CO 0.01 0.26 0.99 -1.61 0.00 0.00 0.00 175.10 174.75 1sck s GLU 231 N 1.21 4.69 2.40 2.72 0.41 -1.26 -4.29 118.70 124.59 1sck s GLU 231 Ca 0.21 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.29 1sck s GLU 231 Cb -0.15 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 1sck s GLU 231 CO 0.08 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 1sck n GLY 232 N 2.10 -0.91 7.00 -1.39 0.00 -1.26 -5.04 105.19 105.69 1sck n GLY 232 Ca 0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1sck n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sck n GLY 233 N 0.00 -0.15 0.00 -0.02 0.00 -1.26 -4.64 105.19 99.11 1sck n GLY 233 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1sck n GLY 233 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sck n ASP 234 N -1.55 0.00 -0.27 1.61 5.68 -1.26 -4.77 116.55 115.98 1sck n ASP 234 Ca 0.00 -0.54 0.12 0.00 -0.50 0.00 0.00 54.79 53.87 1sck n ASP 234 Cb 0.00 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.36 1sck n ASP 234 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1sck h HIS 235 N 0.54 0.81 -2.38 2.11 -0.00 -1.78 -3.18 115.15 111.28 1sck h HIS 235 Ca 0.00 0.02 -0.79 0.00 -0.00 0.00 0.00 60.37 59.60 1sck h HIS 235 Cb 0.00 -0.26 -0.24 0.00 -0.00 0.00 0.00 27.41 26.92 1sck h HIS 235 CO 0.00 0.30 1.22 1.28 -0.00 0.00 0.00 177.93 180.72 1sck n LEU 236 N -4.56 6.57 0.31 0.26 4.77 -1.24 -4.79 117.00 118.32 1sck n LEU 236 Ca 0.18 -5.04 0.17 0.00 -0.03 0.00 0.00 56.01 51.29 1sck n LEU 236 Cb 0.48 -1.33 1.01 0.00 -2.33 0.00 0.00 43.42 41.24 1sck n LEU 236 CO 0.29 1.62 1.15 -0.07 -1.33 0.00 0.00 177.39 179.04 1sck h LEU 237 N 6.16 0.00 0.00 2.23 3.38 -1.94 0.28 115.31 125.42 1sck h LEU 237 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1sck h LEU 237 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1sck h LEU 237 CO 1.43 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.96 1sck n GLN 238 N -3.62 0.24 -0.04 1.13 0.00 -1.26 -0.60 117.38 113.24 1sck n GLN 238 Ca -0.03 0.11 -0.05 0.00 0.00 0.00 0.00 57.00 57.03 1sck n GLN 238 Cb 0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.78 1sck n GLN 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1sck n LEU 239 N -1.33 2.56 0.05 2.61 4.77 -0.02 -4.13 117.00 121.52 1sck n LEU 239 Ca 0.09 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1sck n LEU 239 Cb 0.18 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1sck n LEU 239 CO 0.16 0.56 -0.26 0.35 -1.33 0.00 0.00 177.39 176.87 1sck n THR 240 N -2.64 0.32 -2.78 -5.08 -2.24 -0.57 -4.41 114.28 96.89 1sck n THR 240 Ca -0.13 -0.48 -0.03 0.00 -2.27 0.00 0.00 64.05 61.15 1sck n THR 240 Cb 0.65 -0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 1sck n THR 240 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sck n LYS 241 N -2.41 1.71 -0.18 -0.78 4.76 0.24 -4.87 118.16 116.63 1sck n LYS 241 Ca -0.01 -3.50 -0.00 0.00 -2.87 0.00 0.00 58.31 51.93 1sck n LYS 241 Cb 0.54 -1.58 0.09 0.00 -1.84 0.00 0.00 35.03 32.24 1sck n LYS 241 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1sck h THR 242 N 5.01 0.57 -0.57 -0.18 2.02 -1.64 -0.78 112.91 117.34 1sck h THR 242 Ca -0.11 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1sck h THR 242 Cb 1.26 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1sck h THR 242 CO 0.26 0.03 0.37 0.50 0.37 0.00 0.00 175.52 177.05 1sck h LYS 243 N 0.15 0.75 -0.64 6.66 3.64 -1.92 -0.97 116.57 124.24 1sck h LYS 243 Ca 0.29 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1sck h LYS 243 Cb 0.46 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1sck h LYS 243 CO -0.46 0.50 0.22 0.93 -2.27 0.00 0.00 179.45 178.38 1sck h GLU 244 N 0.77 0.98 -0.71 1.90 5.08 -1.72 -1.27 114.58 119.61 1sck h GLU 244 Ca 0.21 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1sck h GLU 244 Cb -0.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1sck h GLU 244 CO -0.04 0.85 0.31 0.82 -1.00 0.00 0.00 179.01 179.94 1sck h ILE 245 N 0.91 1.24 -0.76 3.13 1.08 -0.84 -1.08 117.51 121.19 1sck h ILE 245 Ca 0.21 -0.73 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 1sck h ILE 245 Cb 0.26 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 1sck h ILE 245 CO -0.01 0.30 0.37 0.00 -0.69 0.00 0.00 178.15 178.11 1sck h ALA 246 N 1.15 0.98 -0.75 1.87 0.00 -0.87 0.07 119.26 121.71 1sck h ALA 246 Ca 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1sck h ALA 246 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1sck h ALA 246 CO -0.02 0.54 0.34 0.93 0.00 0.00 0.00 179.25 181.04 1sck h GLU 247 N 1.07 1.09 -0.30 0.00 5.08 -0.79 -0.13 114.58 120.60 1sck h GLU 247 Ca 0.26 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1sck h GLU 247 Cb 0.12 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1sck h GLU 247 CO -0.03 0.86 0.02 0.82 -1.00 0.00 0.00 179.01 179.69 1sck h ILE 248 N 1.06 1.25 -0.13 3.13 2.04 -0.76 -2.38 117.51 121.71 1sck h ILE 248 Ca 0.26 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1sck h ILE 248 Cb 0.15 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1sck h ILE 248 CO -0.03 0.28 -0.08 -0.07 0.00 0.00 0.00 178.15 178.25 1sck h LEU 249 N 0.32 0.18 -0.46 1.44 3.38 -0.67 -1.13 115.31 118.36 1sck h LEU 249 Ca 0.09 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1sck h LEU 249 Cb 0.39 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1sck h LEU 249 CO 0.01 0.29 0.07 -0.61 0.09 0.00 0.00 178.44 178.29 1sck h GLN 250 N 0.19 0.77 -0.90 1.13 5.75 -0.75 -0.42 115.11 120.88 1sck h GLN 250 Ca 0.04 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1sck h GLN 250 Cb 0.27 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 1sck h GLN 250 CO 0.01 0.79 0.50 0.93 -2.65 0.00 0.00 178.83 178.41 1sck h GLU 251 N 0.64 1.25 -0.66 1.69 5.08 -0.81 -1.22 114.58 120.55 1sck h GLU 251 Ca 0.14 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1sck h GLU 251 Cb 0.40 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1sck h GLU 251 CO 0.01 0.91 0.14 0.28 -1.00 0.00 0.00 179.01 179.35 1sck h VAL 252 N 1.26 1.26 -0.22 3.13 2.07 -0.90 -1.32 116.25 121.52 1sck h VAL 252 Ca 0.32 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1sck h VAL 252 Cb 0.02 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1sck h VAL 252 CO -0.05 0.37 -0.04 0.00 0.02 0.00 0.00 177.57 177.86 1sck h ALA 253 N 1.06 1.51 0.00 1.67 0.00 -0.48 0.14 119.26 123.16 1sck h ALA 253 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sck h ALA 253 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sck h ALA 253 CO 0.01 0.35 -0.15 -0.25 0.00 0.00 0.00 179.25 179.21 1sck n ASP 254 N -4.31 0.42 -0.12 0.00 8.00 -0.51 -4.14 116.55 115.90 1sck n ASP 254 Ca 0.00 0.37 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 1sck n ASP 254 Cb 0.23 -0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 1sck n ASP 254 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1sck n THR 255 N -1.83 1.33 -5.19 -3.53 -1.04 -0.55 -4.99 114.28 98.47 1sck n THR 255 Ca 0.06 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.25 1sck n THR 255 Cb 0.38 -1.35 -0.17 0.00 -1.82 0.00 0.00 70.33 67.38 1sck n THR 255 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1sck s TYR 256 N -2.46 2.55 0.00 -1.42 2.02 -0.05 -5.10 117.35 112.90 1sck s TYR 256 Ca -0.31 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 55.46 1sck s TYR 256 Cb 0.08 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1sck s TYR 256 CO 0.53 -0.35 0.00 0.27 -1.57 0.00 0.00 175.55 174.43