#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o8i s THR 3 N 0.00 2.24 0.16 2.52 -4.23 -1.26 -4.75 115.64 110.33 2o8i s THR 3 Ca 0.00 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 2o8i s THR 3 Cb 0.00 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.45 2o8i s THR 3 CO 0.00 -0.10 1.69 -0.09 -0.54 0.00 0.00 174.62 175.58 2o8i h ARG 4 N -1.96 0.88 -0.59 3.99 2.43 -2.00 -1.40 114.38 115.73 2o8i h ARG 4 Ca -0.54 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.36 2o8i h ARG 4 Cb 1.31 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2o8i h ARG 4 CO 0.54 0.80 0.08 1.49 -1.51 0.00 0.00 179.97 181.37 2o8i h GLU 5 N 0.79 0.97 -0.00 0.20 4.81 -1.99 -1.22 114.58 118.13 2o8i h GLU 5 Ca 0.18 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2o8i h GLU 5 Cb 0.30 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2o8i h GLU 5 CO -0.00 0.90 -0.13 1.49 -0.73 0.00 0.00 179.01 180.54 2o8i h GLU 6 N 0.91 0.09 -0.73 1.92 4.81 -1.88 -1.98 114.58 117.72 2o8i h GLU 6 Ca 0.18 -0.10 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 2o8i h GLU 6 Cb 0.42 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 2o8i h GLU 6 CO 0.01 0.86 0.28 0.35 -0.73 0.00 0.00 179.01 179.78 2o8i h PHE 7 N -0.64 0.47 0.00 0.92 3.57 -1.08 -1.16 116.94 119.03 2o8i h PHE 7 Ca -0.02 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2o8i h PHE 7 Cb 0.90 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2o8i h PHE 7 CO 0.19 0.05 -0.40 0.28 -2.23 0.00 0.00 178.31 176.20 2o8i h VAL 8 N 0.42 0.88 0.21 1.41 2.07 -1.25 -0.15 116.25 119.83 2o8i h VAL 8 Ca 0.40 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2o8i h VAL 8 Cb 0.60 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2o8i h VAL 8 CO -0.40 0.39 -0.10 0.00 0.02 0.00 0.00 177.57 177.48 2o8i h ALA 9 N 1.60 -0.31 0.00 1.67 0.00 -0.41 0.45 119.26 122.27 2o8i h ALA 9 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2o8i h ALA 9 Cb 0.99 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2o8i h ALA 9 CO 0.05 -0.29 0.00 0.54 0.00 0.00 0.00 179.25 179.55 2o8i n ARG 10 N -4.57 0.00 0.00 0.00 3.00 -1.12 -4.04 116.66 109.93 2o8i n ARG 10 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 2o8i n ARG 10 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.57 2o8i n ARG 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2o8i n PHE 11 N 0.00 0.00 -0.08 -1.55 3.72 -0.07 -4.66 117.46 114.83 2o8i n PHE 11 Ca 0.00 -0.05 0.15 0.00 -0.05 0.00 0.00 57.45 57.50 2o8i n PHE 11 Cb 0.00 -0.01 0.56 0.00 -0.94 0.00 0.00 39.48 39.10 2o8i n PHE 11 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2o8i h GLY 12 N 0.00 0.43 -0.22 1.37 0.00 -0.22 -2.72 103.07 101.71 2o8i h GLY 12 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2o8i h GLY 12 CO 0.00 0.05 -0.16 0.61 0.00 0.00 0.00 176.54 177.04 2o8i n GLY 13 N -1.56 -0.26 0.30 4.60 0.00 -1.26 -3.04 105.19 103.97 2o8i n GLY 13 Ca 0.11 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 2o8i n GLY 13 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2o8i h VAL 14 N 1.89 1.25 -3.59 1.61 2.07 -1.80 -3.11 116.25 114.58 2o8i h VAL 14 Ca 0.00 -0.99 -0.70 0.00 0.82 0.00 0.00 66.70 65.83 2o8i h VAL 14 Cb 0.55 0.74 -0.19 0.00 -1.52 0.00 0.00 31.29 30.87 2o8i h VAL 14 CO 0.00 0.36 -0.39 -0.36 0.02 0.00 0.00 177.57 177.21 2o8i s PHE 15 N -5.11 3.22 0.22 1.57 0.40 -1.26 -4.49 117.98 112.53 2o8i s PHE 15 Ca -0.10 -0.37 -0.32 0.00 -0.60 0.00 0.00 56.93 55.54 2o8i s PHE 15 Cb 0.15 -2.62 -0.14 0.00 0.51 0.00 0.00 43.02 40.91 2o8i s PHE 15 CO 0.83 -0.52 1.33 -1.91 0.70 0.00 0.00 175.22 175.64 2o8i n GLU 16 N 5.25 1.75 -1.60 0.44 4.07 -1.18 -0.94 120.64 128.44 2o8i n GLU 16 Ca -0.11 0.62 -0.09 0.00 -0.06 0.00 0.00 57.16 57.53 2o8i n GLU 16 Cb 0.48 -2.23 -0.03 0.00 -0.06 0.00 0.00 31.44 29.60 2o8i n GLU 16 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2o8i n HIS 17 N 1.77 -0.84 -2.82 4.31 8.25 -1.26 -4.67 115.22 119.95 2o8i n HIS 17 Ca 0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.32 2o8i n HIS 17 Cb 0.29 -2.15 -0.03 0.00 1.12 0.00 0.00 29.99 29.22 2o8i n HIS 17 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2o8i n SER 18 N -0.51 4.54 0.14 0.41 7.64 -0.11 -4.88 113.62 120.84 2o8i n SER 18 Ca -0.10 -3.69 0.17 0.00 1.01 0.00 0.00 58.87 56.26 2o8i n SER 18 Cb 0.38 -0.53 0.76 0.00 -1.01 0.00 0.00 64.21 63.80 2o8i n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2o8i h PRO 19 N 2.87 0.00 -0.57 1.43 0.13 -1.77 -1.09 132.00 133.00 2o8i h PRO 19 Ca 0.18 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.41 2o8i h PRO 19 Cb 0.62 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 2o8i h PRO 19 CO 0.83 0.00 0.39 0.27 -0.23 0.00 0.00 178.00 179.26 2o8i h PHE 20 N 0.00 0.35 -0.57 1.56 -0.00 -1.90 0.17 116.94 116.56 2o8i h PHE 20 Ca 0.13 0.01 0.08 0.00 -0.00 0.00 0.00 57.97 58.19 2o8i h PHE 20 Cb 0.62 -0.11 -0.06 0.00 -0.00 0.00 0.00 35.95 36.39 2o8i h PHE 20 CO 0.00 0.16 0.24 0.82 -0.00 0.00 0.00 178.31 179.53 2o8i h ILE 21 N 0.33 0.83 0.01 0.88 1.08 -1.55 -1.39 117.51 117.70 2o8i h ILE 21 Ca 0.27 -0.15 -0.25 0.00 -0.39 0.00 0.00 64.86 64.34 2o8i h ILE 21 Cb 0.62 0.36 0.01 0.00 -3.07 0.00 0.00 36.82 34.74 2o8i h ILE 21 CO -0.07 0.08 -1.02 0.00 -0.69 0.00 0.00 178.15 176.46 2o8i h ALA 22 N 1.37 0.23 0.15 1.87 0.00 -0.86 -1.74 119.26 120.28 2o8i h ALA 22 Ca 0.28 -0.72 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2o8i h ALA 22 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2o8i h ALA 22 CO -0.26 0.76 -0.21 0.93 0.00 0.00 0.00 179.25 180.48 2o8i h GLU 23 N 0.29 -0.40 -0.64 0.00 4.39 -0.93 -1.22 114.58 116.08 2o8i h GLU 23 Ca -0.11 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2o8i h GLU 23 Cb 1.67 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.38 2o8i h GLU 23 CO 0.19 -0.26 0.17 0.00 -1.16 0.00 0.00 179.01 177.94 2o8i h ARG 24 N -0.41 1.01 -0.71 2.33 3.08 -1.27 -1.20 114.38 117.20 2o8i h ARG 24 Ca 0.02 -0.24 0.10 0.00 0.07 0.00 0.00 59.98 59.93 2o8i h ARG 24 Cb 0.41 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2o8i h ARG 24 CO -0.09 0.90 0.47 0.00 -1.07 0.00 0.00 179.97 180.18 2o8i h ALA 25 N 1.06 1.87 -0.37 0.04 0.00 -1.17 -0.50 119.26 120.18 2o8i h ALA 25 Ca 0.20 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2o8i h ALA 25 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2o8i h ALA 25 CO -0.00 -0.02 -0.37 -0.92 0.00 0.00 0.00 179.25 177.94 2o8i h TYR 26 N 0.59 1.09 0.00 0.00 5.03 -0.07 -1.17 116.97 122.45 2o8i h TYR 26 Ca 0.33 -0.33 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2o8i h TYR 26 Cb 0.48 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2o8i h TYR 26 CO -0.00 1.15 0.00 -0.44 -1.32 0.00 0.00 178.16 177.54 2o8i h ASP 27 N 0.72 0.00 -0.07 -2.11 3.32 -0.58 -1.62 116.42 116.07 2o8i h ASP 27 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2o8i h ASP 27 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2o8i h ASP 27 CO 0.09 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 2o8i n ALA 28 N -2.00 2.57 0.00 3.45 0.00 -0.27 -4.88 120.51 119.39 2o8i n ALA 28 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2o8i n ALA 28 Cb 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2o8i n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o8i n GLY 29 N 0.98 1.40 0.34 0.00 0.00 -0.63 -5.02 105.19 102.26 2o8i n GLY 29 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 2o8i n GLY 29 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2o8i h GLY 30 N 0.00 1.37 2.00 -0.02 0.00 -1.03 -0.71 103.07 104.68 2o8i h GLY 30 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2o8i h GLY 30 CO 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 176.54 176.01 2o8i n ALA 31 N -2.99 1.08 1.09 3.60 0.00 -1.26 -0.86 120.51 121.17 2o8i n ALA 31 Ca 0.24 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.86 2o8i n ALA 31 Cb 0.81 -1.13 0.14 0.00 0.00 0.00 0.00 19.45 19.27 2o8i n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o8i n GLY 32 N -1.28 -0.11 3.77 0.00 0.00 -0.27 -4.66 105.19 102.63 2o8i n GLY 32 Ca -0.00 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 2o8i n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o8i s LEU 33 N -2.44 4.32 0.29 0.99 1.43 -0.04 -5.00 118.68 118.22 2o8i s LEU 33 Ca 0.21 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 2o8i s LEU 33 Cb 0.19 -3.77 -0.12 0.00 0.03 0.00 0.00 46.19 42.52 2o8i s LEU 33 CO 0.53 -0.69 1.62 -0.62 0.23 0.00 0.00 176.35 177.42 2o8i n GLU 34 N 0.47 2.75 -2.77 1.70 -0.58 -1.26 -4.92 120.64 116.03 2o8i n GLU 34 Ca 0.02 0.98 -0.44 0.00 -0.42 0.00 0.00 57.16 57.30 2o8i n GLU 34 Cb 0.42 -2.78 0.00 0.00 -0.57 0.00 0.00 31.44 28.52 2o8i n GLU 34 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2o8i n LEU 35 N 2.35 5.36 -4.26 -4.62 4.77 -1.26 -4.27 117.00 115.06 2o8i n LEU 35 Ca 0.09 -4.36 -0.18 0.00 -0.03 0.00 0.00 56.01 51.53 2o8i n LEU 35 Cb 0.37 -1.63 -0.11 0.00 -2.33 0.00 0.00 43.42 39.71 2o8i n LEU 35 CO 0.64 0.68 -0.45 0.42 -1.33 0.00 0.00 177.39 177.35 2o8i s THR 36 N 2.05 1.42 0.19 -5.08 -4.23 -1.26 -4.32 115.64 104.41 2o8i s THR 36 Ca 0.45 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 2o8i s THR 36 Cb 0.00 -1.63 0.10 0.00 1.34 0.00 0.00 72.50 72.32 2o8i s THR 36 CO 0.02 -0.43 1.79 0.00 -0.54 0.00 0.00 174.62 175.46 2o8i h ALA 37 N 3.37 0.74 0.14 3.99 0.00 -0.64 -0.88 119.26 125.98 2o8i h ALA 37 Ca -0.40 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2o8i h ALA 37 Cb 1.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2o8i h ALA 37 CO 0.52 -0.03 -0.26 0.87 0.00 0.00 0.00 179.25 180.35 2o8i h LYS 38 N 0.57 -0.46 0.65 0.00 1.57 -1.33 0.07 116.57 117.64 2o8i h LYS 38 Ca 0.25 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2o8i h LYS 38 Cb 0.15 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2o8i h LYS 38 CO -0.16 -0.31 -0.36 0.00 -0.57 0.00 0.00 179.45 178.05 2o8i h ALA 39 N 0.24 -0.95 -0.52 3.86 0.00 -1.78 -0.95 119.26 119.16 2o8i h ALA 39 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2o8i h ALA 39 Cb 0.50 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2o8i h ALA 39 CO -0.14 -1.04 0.05 0.28 0.00 0.00 0.00 179.25 178.40 2o8i h VAL 40 N -0.94 1.24 -0.55 0.00 2.07 -1.13 -2.10 116.25 114.85 2o8i h VAL 40 Ca -0.08 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2o8i h VAL 40 Cb 0.74 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2o8i h VAL 40 CO 0.11 0.35 0.18 -0.74 0.02 0.00 0.00 177.57 177.49 2o8i h HIS 41 N 0.80 0.87 -0.84 1.57 6.17 -0.93 0.25 115.15 123.04 2o8i h HIS 41 Ca 0.16 -0.08 0.03 0.00 0.71 0.00 0.00 60.37 61.19 2o8i h HIS 41 Cb 0.41 -0.25 -0.05 0.00 2.52 0.00 0.00 27.41 30.04 2o8i h HIS 41 CO 0.02 0.73 0.54 0.78 0.71 0.00 0.00 177.93 180.72 2o8i h GLY 42 N 0.76 1.22 0.85 5.26 0.00 -0.59 0.57 103.07 111.13 2o8i h GLY 42 Ca 0.18 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 2o8i h GLY 42 CO -0.01 0.36 -0.19 0.00 0.00 0.00 0.00 176.54 176.70 2o8i h ALA 43 N 1.34 0.32 -0.21 3.60 0.00 -1.00 -1.16 119.26 122.16 2o8i h ALA 43 Ca 0.33 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2o8i h ALA 43 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2o8i h ALA 43 CO -0.11 0.25 -0.04 -0.07 0.00 0.00 0.00 179.25 179.28 2o8i h LEU 44 N 0.21 0.39 -0.97 0.00 3.38 -0.79 -2.94 115.31 114.60 2o8i h LEU 44 Ca 0.04 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.73 2o8i h LEU 44 Cb 0.73 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2o8i h LEU 44 CO 0.05 0.66 0.62 0.00 0.09 0.00 0.00 178.44 179.85 2o8i h ALA 46 N 1.46 0.60 -0.17 0.00 0.00 -1.06 0.39 119.26 120.48 2o8i h ALA 46 Ca 0.44 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.36 2o8i h ALA 46 Cb 0.25 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2o8i h ALA 46 CO -0.20 -0.31 -0.34 1.96 0.00 0.00 0.00 179.25 180.37 2o8i h GLN 47 N 0.24 0.36 -0.32 0.00 1.08 -1.21 -2.82 115.11 112.43 2o8i h GLN 47 Ca 0.27 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 57.19 2o8i h GLN 47 Cb 0.37 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2o8i h GLN 47 CO -0.35 0.66 -0.30 0.35 -0.95 0.00 0.00 178.83 178.24 2o8i h PHE 48 N 0.31 0.78 0.00 2.96 3.57 -0.07 -2.37 116.94 122.11 2o8i h PHE 48 Ca 0.04 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 2o8i h PHE 48 Cb 0.75 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2o8i h PHE 48 CO 0.02 0.89 -0.18 0.00 -2.23 0.00 0.00 178.31 176.81 2o8i h ARG 49 N 0.57 0.00 -0.01 1.11 3.08 -0.14 -3.23 114.38 115.76 2o8i h ARG 49 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2o8i h ARG 49 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2o8i h ARG 49 CO 0.07 0.18 -0.28 1.55 -1.07 0.00 0.00 179.97 180.42 2o8i n VAL 50 N -3.30 0.00 -1.33 2.04 3.14 -1.08 -4.95 118.33 112.85 2o8i n VAL 50 Ca 0.01 -0.36 -0.31 0.00 -2.96 0.00 0.00 64.34 60.71 2o8i n VAL 50 Cb 0.43 1.23 0.08 0.00 -1.06 0.00 0.00 33.84 34.52 2o8i n VAL 50 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2o8i s ALA 51 N -1.85 2.31 0.88 1.55 0.00 -0.92 -5.00 121.76 118.73 2o8i s ALA 51 Ca 0.15 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 2o8i s ALA 51 Cb 0.14 -3.27 0.12 0.00 0.00 0.00 0.00 23.12 20.11 2o8i s ALA 51 CO 0.38 -1.68 1.10 -1.54 0.00 0.00 0.00 175.76 174.02 2o8i s SER 52 N -3.35 3.46 0.30 0.00 1.04 -1.26 -4.75 113.70 109.14 2o8i s SER 52 Ca 0.61 1.83 -0.02 0.00 0.48 0.00 0.00 55.95 58.86 2o8i s SER 52 Cb -0.17 -2.43 0.46 0.00 0.10 0.00 0.00 66.02 63.97 2o8i s SER 52 CO 0.55 -2.70 1.97 -0.33 0.98 0.00 0.00 173.24 173.71 2o8i h GLU 53 N -1.59 1.06 -0.60 4.02 4.39 -1.98 -1.63 114.58 118.26 2o8i h GLU 53 Ca -0.46 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.23 2o8i h GLU 53 Cb 1.26 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.62 2o8i h GLU 53 CO 0.49 0.71 0.30 0.00 -1.16 0.00 0.00 179.01 179.34 2o8i h ALA 54 N 1.49 0.79 -0.29 3.43 0.00 -1.99 -0.24 119.26 122.45 2o8i h ALA 54 Ca 0.29 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2o8i h ALA 54 Cb -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2o8i h ALA 54 CO -0.06 -0.06 0.03 0.93 0.00 0.00 0.00 179.25 180.08 2o8i h GLU 55 N 0.55 0.49 -0.95 0.00 5.08 -1.78 0.12 114.58 118.10 2o8i h GLU 55 Ca 0.28 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2o8i h GLU 55 Cb 0.23 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 2o8i h GLU 55 CO -0.21 0.61 0.61 0.00 -1.00 0.00 0.00 179.01 179.03 2o8i h ARG 56 N 0.30 1.13 -0.63 2.33 3.08 -1.17 -1.54 114.38 117.89 2o8i h ARG 56 Ca 0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2o8i h ARG 56 Cb 0.37 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2o8i h ARG 56 CO 0.01 0.75 0.24 1.25 -1.07 0.00 0.00 179.97 181.15 2o8i h LEU 57 N 1.17 0.85 -1.45 3.04 5.85 -0.57 -1.68 115.31 122.52 2o8i h LEU 57 Ca 0.39 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2o8i h LEU 57 Cb 0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2o8i h LEU 57 CO -0.14 0.77 0.28 1.23 -0.34 0.00 0.00 178.44 180.24 2o8i h GLY 58 N 1.01 0.69 0.98 3.75 0.00 -0.04 -1.81 103.07 107.66 2o8i h GLY 58 Ca 0.21 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 2o8i h GLY 58 CO -0.02 0.27 -0.40 -2.08 0.00 0.00 0.00 176.54 174.31 2o8i h VAL 59 N 0.66 1.31 -0.53 4.60 2.07 -0.47 -1.96 116.25 121.93 2o8i h VAL 59 Ca 0.17 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 2o8i h VAL 59 Cb -0.01 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2o8i h VAL 59 CO -0.03 0.51 0.31 -0.07 0.02 0.00 0.00 177.57 178.31 2o8i h LEU 60 N 0.40 0.64 -1.33 2.57 4.07 -1.16 -2.48 115.31 118.03 2o8i h LEU 60 Ca 0.02 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 2o8i h LEU 60 Cb 1.00 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2o8i h LEU 60 CO 0.09 0.52 -0.24 0.03 -1.08 0.00 0.00 178.44 177.76 2o8i h ARG 61 N 0.71 0.00 0.00 1.13 3.08 -1.22 -2.76 114.38 115.32 2o8i h ARG 61 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2o8i h ARG 61 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2o8i h ARG 61 CO -0.03 0.24 -0.44 0.00 -1.07 0.00 0.00 179.97 178.66 2o8i h ALA 62 N 1.76 0.78 -2.83 0.04 0.00 -0.93 -3.45 119.26 114.63 2o8i h ALA 62 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2o8i h ALA 62 Cb 0.65 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.52 2o8i h ALA 62 CO 0.03 0.00 0.82 -1.58 0.00 0.00 0.00 179.25 178.52 2o8i s HIS 63 N -3.27 2.79 0.55 0.00 5.04 -0.98 -4.80 115.29 114.61 2o8i s HIS 63 Ca 0.04 0.96 -0.20 0.00 -1.54 0.00 0.00 55.06 54.32 2o8i s HIS 63 Cb 0.07 -3.98 -0.05 0.00 0.04 0.00 0.00 32.58 28.66 2o8i s HIS 63 CO 0.72 -3.16 1.16 -1.25 -2.34 0.00 0.00 174.74 169.87 2o8i s PRO 64 N -0.90 3.29 0.71 2.88 0.04 -1.26 -4.79 135.00 134.98 2o8i s PRO 64 Ca 0.59 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 2o8i s PRO 64 Cb -0.46 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.07 2o8i s PRO 64 CO 0.50 -0.92 1.07 0.16 0.04 0.00 0.00 177.00 177.85 2o8i s ASP 65 N -1.66 5.30 0.16 6.66 1.47 -1.26 -4.88 116.67 122.45 2o8i s ASP 65 Ca 0.73 1.40 -0.17 0.00 1.18 0.00 0.00 52.55 55.69 2o8i s ASP 65 Cb -0.27 -2.26 0.08 0.00 -0.34 0.00 0.00 42.92 40.14 2o8i s ASP 65 CO 0.30 -1.47 1.68 0.25 0.68 0.00 0.00 175.17 176.61 2o8i h LEU 66 N -0.74 -0.31 -1.04 2.11 5.85 -1.95 -1.73 115.31 117.51 2o8i h LEU 66 Ca -0.45 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.47 2o8i h LEU 66 Cb 1.23 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 2o8i h LEU 66 CO 0.60 -0.11 0.63 0.00 -0.34 0.00 0.00 178.44 179.22 2o8i h ALA 67 N 1.37 1.49 -0.46 1.25 0.00 -1.93 0.75 119.26 121.74 2o8i h ALA 67 Ca 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2o8i h ALA 67 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2o8i h ALA 67 CO -0.37 0.31 0.15 0.78 0.00 0.00 0.00 179.25 180.12 2o8i h GLY 68 N 1.05 0.71 1.05 0.00 0.00 -1.75 -0.53 103.07 103.60 2o8i h GLY 68 Ca 0.46 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 47.26 2o8i h GLY 68 CO -0.22 0.34 -0.52 0.50 0.00 0.00 0.00 176.54 176.65 2o8i h LYS 69 N 0.65 0.75 -0.83 4.80 1.57 -0.09 -2.51 116.57 120.91 2o8i h LYS 69 Ca 0.15 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2o8i h LYS 69 Cb 0.19 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2o8i h LYS 69 CO -0.01 1.13 0.38 -0.07 -0.57 0.00 0.00 179.45 180.31 2o8i h LEU 70 N 0.48 1.09 -0.67 2.94 3.38 -0.68 -1.17 115.31 120.67 2o8i h LEU 70 Ca -0.00 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2o8i h LEU 70 Cb 1.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2o8i h LEU 70 CO 0.11 0.93 -0.00 0.00 0.09 0.00 0.00 178.44 179.57 2o8i h ALA 71 N 1.24 0.88 -0.80 1.53 0.00 -1.11 0.11 119.26 121.11 2o8i h ALA 71 Ca 0.28 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2o8i h ALA 71 Cb 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2o8i h ALA 71 CO -0.03 0.66 0.35 0.82 0.00 0.00 0.00 179.25 181.05 2o8i h ILE 72 N 0.94 1.26 -0.20 0.00 2.04 -1.01 -2.73 117.51 117.81 2o8i h ILE 72 Ca 0.17 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2o8i h ILE 72 Cb 0.55 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2o8i h ILE 72 CO 0.03 0.32 0.10 0.00 0.00 0.00 0.00 178.15 178.60 2o8i h ALA 73 N 1.18 0.24 -0.34 1.87 0.00 -0.78 -2.27 119.26 119.17 2o8i h ALA 73 Ca 0.27 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2o8i h ALA 73 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2o8i h ALA 73 CO -0.03 -0.32 0.59 0.78 0.00 0.00 0.00 179.25 180.28 2o8i h GLY 74 N 0.21 0.00 2.00 0.00 0.00 -0.54 0.16 103.07 104.90 2o8i h GLY 74 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2o8i h GLY 74 CO -0.06 0.00 -0.18 0.83 0.00 0.00 0.00 176.54 177.13 2o8i h GLU 75 N 0.00 0.00 0.00 4.80 5.08 -1.11 -3.38 114.58 119.97 2o8i h GLU 75 Ca 0.16 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 2o8i h GLU 75 Cb 1.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 2o8i h GLU 75 CO -0.00 0.18 -1.72 1.28 -1.00 0.00 0.00 179.01 177.75 2o8i n LEU 76 N -3.21 2.27 0.00 1.33 4.77 0.42 -5.14 117.00 117.44 2o8i n LEU 76 Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2o8i n LEU 76 Cb 0.51 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2o8i n LEU 76 CO 0.34 0.60 0.00 1.07 -1.33 0.00 0.00 177.39 178.08 2o8i n THR 77 N -2.75 0.00 -1.05 -5.08 5.66 -0.42 -5.14 114.28 105.48 2o8i n THR 77 Ca -0.21 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.63 2o8i n THR 77 Cb 0.76 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.48 2o8i n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2o8i n GLY 88 N 2.01 3.61 0.02 1.09 0.00 -1.26 -5.11 105.19 105.55 2o8i n GLY 88 Ca 0.00 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 44.92 2o8i n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2o8i n LEU 89 N 1.33 0.12 0.04 0.99 4.77 -1.26 -2.86 117.00 120.13 2o8i n LEU 89 Ca 0.35 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.98 2o8i n LEU 89 Cb 0.66 -0.49 0.37 0.00 -2.33 0.00 0.00 43.42 41.63 2o8i n LEU 89 CO 0.23 -0.18 0.68 -0.90 -1.33 0.00 0.00 177.39 175.89 2o8i n ASP 90 N -1.62 0.50 -1.47 -1.43 5.75 -1.26 -4.18 116.55 112.83 2o8i n ASP 90 Ca 0.05 0.27 -0.13 0.00 -0.01 0.00 0.00 54.79 54.98 2o8i n ASP 90 Cb 0.26 -0.26 0.11 0.00 -1.03 0.00 0.00 41.12 40.19 2o8i n ASP 90 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2o8i n ARG 91 N -1.86 2.68 -2.52 0.11 1.74 -1.13 -5.06 116.66 110.61 2o8i n ARG 91 Ca 0.05 -3.72 -0.36 0.00 -0.77 0.00 0.00 57.85 53.05 2o8i n ARG 91 Cb 0.39 -2.01 -0.04 0.00 -1.02 0.00 0.00 32.46 29.78 2o8i n ARG 91 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2o8i s LEU 92 N -3.45 4.10 0.70 0.55 1.43 -1.26 -5.03 118.68 115.72 2o8i s LEU 92 Ca 0.47 2.05 -0.16 0.00 -1.03 0.00 0.00 54.13 55.45 2o8i s LEU 92 Cb 0.40 -4.23 0.01 0.00 0.03 0.00 0.00 46.19 42.41 2o8i s LEU 92 CO -0.00 -0.55 1.16 -1.20 0.23 0.00 0.00 176.35 175.98 2o8i n SER 93 N -0.20 1.32 -0.26 2.29 7.64 -1.26 -4.82 113.62 118.33 2o8i n SER 93 Ca 0.06 0.73 0.07 0.00 1.01 0.00 0.00 58.87 60.74 2o8i n SER 93 Cb 0.50 -1.49 0.21 0.00 -1.01 0.00 0.00 64.21 62.41 2o8i n SER 93 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2o8i h PRO 94 N -0.01 0.31 -0.60 1.43 0.11 -1.99 0.13 132.00 131.38 2o8i h PRO 94 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2o8i h PRO 94 Cb 1.33 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2o8i h PRO 94 CO 0.50 0.21 0.34 0.37 -0.21 0.00 0.00 178.00 179.21 2o8i h GLN 95 N 0.32 0.82 -0.32 1.05 -0.00 -1.99 -1.81 115.11 113.19 2o8i h GLN 95 Ca 0.45 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.65 58.92 2o8i h GLN 95 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 2o8i h GLN 95 CO -0.50 0.61 -0.15 0.93 0.00 0.00 0.00 178.83 179.71 2o8i h GLU 96 N 0.80 0.66 -0.58 1.69 5.08 -1.83 -0.88 114.58 119.53 2o8i h GLU 96 Ca 0.21 -0.29 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2o8i h GLU 96 Cb 0.01 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.13 2o8i h GLU 96 CO -0.04 0.88 -0.20 0.45 -1.00 0.00 0.00 179.01 179.10 2o8i h HIS 97 N 0.42 -0.48 -0.87 4.33 3.86 -0.96 -1.12 115.15 120.34 2o8i h HIS 97 Ca 0.07 0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2o8i h HIS 97 Cb 0.68 0.30 -0.04 0.00 1.06 0.00 0.00 27.41 29.41 2o8i h HIS 97 CO 0.06 -0.30 0.57 0.00 0.86 0.00 0.00 177.93 179.12 2o8i h ALA 98 N 1.41 1.37 -0.64 2.45 0.00 -1.05 -1.75 119.26 121.06 2o8i h ALA 98 Ca 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2o8i h ALA 98 Cb 0.48 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2o8i h ALA 98 CO -0.63 0.58 0.24 -0.09 0.00 0.00 0.00 179.25 179.36 2o8i h ARG 99 N 1.18 0.97 -0.35 0.00 2.43 -0.43 -0.94 114.38 117.23 2o8i h ARG 99 Ca 0.32 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2o8i h ARG 99 Cb -0.12 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.24 2o8i h ARG 99 CO -0.07 0.82 0.17 0.74 -1.51 0.00 0.00 179.97 180.13 2o8i h PHE 100 N 0.91 0.32 -0.43 2.20 0.04 -0.37 0.17 116.94 119.77 2o8i h PHE 100 Ca 0.21 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.07 2o8i h PHE 100 Cb 0.22 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 2o8i h PHE 100 CO 0.01 0.17 0.05 1.15 -0.60 0.00 0.00 178.31 179.09 2o8i h THR 101 N 0.36 0.73 -0.60 -1.55 2.02 -1.10 0.30 112.91 113.07 2o8i h THR 101 Ca 0.15 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 2o8i h THR 101 Cb 0.06 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2o8i h THR 101 CO -0.11 0.03 0.12 -0.61 0.37 0.00 0.00 175.52 175.33 2o8i h GLN 102 N 0.17 0.98 -0.28 6.66 4.15 -0.47 0.24 115.11 126.56 2o8i h GLN 102 Ca 0.21 -0.25 -0.15 0.00 0.77 0.00 0.00 58.65 59.24 2o8i h GLN 102 Cb 0.28 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2o8i h GLN 102 CO -0.31 0.91 -0.42 -0.07 -1.93 0.00 0.00 178.83 177.01 2o8i h LEU 103 N 0.89 0.72 -0.64 -2.39 3.38 -0.21 -1.15 115.31 115.91 2o8i h LEU 103 Ca 0.19 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2o8i h LEU 103 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2o8i h LEU 103 CO 0.01 1.05 0.30 -1.13 0.09 0.00 0.00 178.44 178.76 2o8i h ASN 104 N 0.55 0.84 -0.66 -0.43 -0.73 -0.74 -0.54 115.58 113.88 2o8i h ASN 104 Ca 0.04 -0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.09 2o8i h ASN 104 Cb 0.96 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 39.29 2o8i h ASN 104 CO 0.09 0.74 0.43 0.28 -0.37 0.00 0.00 177.43 178.60 2o8i h SER 105 N 0.89 0.72 -0.49 1.15 0.02 -0.47 -0.97 113.55 114.40 2o8i h SER 105 Ca 0.22 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2o8i h SER 105 Cb 0.13 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2o8i h SER 105 CO -0.03 0.52 0.25 0.00 -1.14 0.00 0.00 176.83 176.43 2o8i h ALA 106 N 1.26 0.63 0.12 3.77 0.00 -0.83 -1.62 119.26 122.59 2o8i h ALA 106 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2o8i h ALA 106 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2o8i h ALA 106 CO -0.07 0.18 -0.06 -0.92 0.00 0.00 0.00 179.25 178.38 2o8i h TYR 107 N 0.65 -0.15 -0.04 0.00 3.20 -0.89 -2.01 116.97 117.73 2o8i h TYR 107 Ca 0.17 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2o8i h TYR 107 Cb 0.09 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2o8i h TYR 107 CO -0.01 0.10 -0.10 0.00 -1.64 0.00 0.00 178.16 176.51 2o8i h THR 108 N -0.40 1.10 -0.21 1.81 1.03 -1.17 0.15 112.91 115.23 2o8i h THR 108 Ca -0.02 -0.43 -0.08 0.00 -0.01 0.00 0.00 66.41 65.87 2o8i h THR 108 Cb 0.32 1.18 -0.01 0.00 -1.07 0.00 0.00 68.15 68.57 2o8i h THR 108 CO 0.03 0.13 -0.23 -0.08 -0.01 0.00 0.00 175.52 175.36 2o8i h GLU 109 N 0.05 0.38 0.18 0.00 4.57 -0.92 0.23 114.58 119.08 2o8i h GLU 109 Ca 0.01 -0.13 -0.25 0.00 -1.18 0.00 0.00 59.36 57.81 2o8i h GLU 109 Cb 0.21 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2o8i h GLU 109 CO 0.01 0.59 -1.15 -0.22 -1.18 0.00 0.00 179.01 177.07 2o8i h LYS 110 N 0.34 0.37 0.00 1.92 3.64 -0.47 -3.41 116.57 118.96 2o8i h LYS 110 Ca 0.05 -0.64 -0.15 0.00 -1.27 0.00 0.00 60.65 58.65 2o8i h LYS 110 Cb 0.60 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2o8i h LYS 110 CO 0.04 1.30 -1.98 1.19 -2.27 0.00 0.00 179.45 177.74 2o8i n PHE 111 N -3.95 0.00 -0.65 1.91 3.72 0.42 -5.01 117.46 113.90 2o8i n PHE 111 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 2o8i n PHE 111 Cb 0.93 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 2o8i n PHE 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2o8i n GLY 112 N 1.73 0.60 3.36 1.37 0.00 0.81 -5.04 105.19 108.02 2o8i n GLY 112 Ca -0.15 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 2o8i n GLY 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2o8i s PHE 113 N -2.00 -0.29 1.00 1.61 -0.71 -1.26 -4.87 117.98 111.47 2o8i s PHE 113 Ca 0.00 -0.01 -0.12 0.00 -1.04 0.00 0.00 56.93 55.77 2o8i s PHE 113 Cb 0.00 0.35 0.19 0.00 -1.21 0.00 0.00 43.02 42.35 2o8i s PHE 113 CO 0.00 -0.75 1.08 -2.14 -1.34 0.00 0.00 175.22 172.07 2o8i s PRO 114 N -3.79 0.40 -0.32 1.99 0.02 -1.26 -3.89 135.00 128.15 2o8i s PRO 114 Ca 0.03 0.96 -0.29 0.00 0.02 0.00 0.00 61.00 61.72 2o8i s PRO 114 Cb 0.01 -1.70 0.01 0.00 0.02 0.00 0.00 34.50 32.84 2o8i s PRO 114 CO -0.12 -2.87 1.18 0.12 -0.33 0.00 0.00 177.00 174.99 2o8i s PHE 115 N -2.71 2.92 -0.15 6.54 5.36 -1.26 -4.91 117.98 123.76 2o8i s PHE 115 Ca 0.66 1.02 -0.02 0.00 -0.96 0.00 0.00 56.93 57.63 2o8i s PHE 115 Cb -0.21 -3.83 -0.01 0.00 -0.34 0.00 0.00 43.02 38.62 2o8i s PHE 115 CO 0.60 -1.24 -0.10 0.42 -1.46 0.00 0.00 175.22 173.44 2o8i s ILE 116 N 4.01 3.24 -0.20 3.12 1.01 -1.26 -4.39 121.20 126.73 2o8i s ILE 116 Ca 0.51 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 2o8i s ILE 116 Cb -0.14 -2.40 0.07 0.00 0.01 0.00 0.00 42.46 40.00 2o8i s ILE 116 CO 0.20 0.50 0.48 -0.51 0.00 0.00 0.00 174.94 175.60 2o8i s ILE 117 N 0.62 -0.05 0.21 2.92 2.07 -1.26 -4.84 121.20 120.87 2o8i s ILE 117 Ca -0.06 0.07 -0.30 0.00 -1.41 0.00 0.00 60.65 58.95 2o8i s ILE 117 Cb -0.15 -0.71 -0.09 0.00 0.13 0.00 0.00 42.46 41.64 2o8i s ILE 117 CO 0.03 0.03 1.35 0.00 -1.91 0.00 0.00 174.94 174.43 2o8i s ALA 118 N 1.52 3.55 0.00 1.50 0.00 -1.26 -4.93 121.76 122.13 2o8i s ALA 118 Ca -0.09 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2o8i s ALA 118 Cb -0.08 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2o8i s ALA 118 CO -0.15 -0.59 0.00 0.28 0.00 0.00 0.00 175.76 175.30 2o8i n VAL 119 N 2.52 0.00 -1.65 0.00 0.31 -1.26 -4.94 118.33 113.31 2o8i n VAL 119 Ca 0.06 -0.46 -0.50 0.00 -0.01 0.00 0.00 64.34 63.43 2o8i n VAL 119 Cb 0.42 0.99 -0.05 0.00 -0.91 0.00 0.00 33.84 34.29 2o8i n VAL 119 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2o8i n LYS 120 N -0.94 1.61 -0.97 5.55 4.81 -1.26 -1.12 118.16 125.83 2o8i n LYS 120 Ca 0.00 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2o8i n LYS 120 Cb 0.00 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 32.75 2o8i n LYS 120 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2o8i n GLY 121 N 3.35 0.49 3.73 3.14 0.00 -1.26 -5.01 105.19 109.64 2o8i n GLY 121 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2o8i n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o8i s LEU 122 N 0.00 3.76 0.57 0.99 1.02 -0.28 -5.04 118.68 119.70 2o8i s LEU 122 Ca 0.00 0.19 0.09 0.00 0.02 0.00 0.00 54.13 54.43 2o8i s LEU 122 Cb 0.00 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.34 2o8i s LEU 122 CO 0.00 0.36 0.78 0.54 0.02 0.00 0.00 176.35 178.05 2o8i s ASN 123 N -1.11 5.12 0.20 2.29 2.20 -1.26 -4.42 114.94 117.96 2o8i s ASN 123 Ca 0.16 -0.80 -0.10 0.00 -0.94 0.00 0.00 52.86 51.18 2o8i s ASN 123 Cb -0.12 0.21 0.26 0.00 -2.00 0.00 0.00 41.25 39.61 2o8i s ASN 123 CO 0.05 -1.32 1.75 -0.09 -2.94 0.00 0.00 177.10 174.56 2o8i h ARG 124 N 0.19 0.42 -0.48 3.55 2.43 -1.99 -2.31 114.38 116.19 2o8i h ARG 124 Ca -0.31 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2o8i h ARG 124 Cb 1.29 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 2o8i h ARG 124 CO 0.41 0.28 0.24 0.45 -1.51 0.00 0.00 179.97 179.84 2o8i h HIS 125 N 0.44 0.43 -0.94 2.20 3.86 -1.99 -2.02 115.15 117.12 2o8i h HIS 125 Ca 0.30 0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.71 2o8i h HIS 125 Cb 0.34 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.60 2o8i h HIS 125 CO -0.15 0.21 0.60 -0.44 0.86 0.00 0.00 177.93 179.01 2o8i h ASP 126 N 0.46 0.60 0.01 2.45 3.32 -1.80 0.71 116.42 122.16 2o8i h ASP 126 Ca 0.21 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 2o8i h ASP 126 Cb 0.13 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2o8i h ASP 126 CO -0.16 0.24 -0.19 0.40 -1.72 0.00 0.00 179.24 177.82 2o8i h ILE 127 N 0.60 1.59 -0.94 0.35 2.04 -1.23 -2.32 117.51 117.59 2o8i h ILE 127 Ca 0.50 -1.99 0.15 0.00 1.00 0.00 0.00 64.86 64.52 2o8i h ILE 127 Cb 0.98 2.88 -0.08 0.00 -0.74 0.00 0.00 36.82 39.86 2o8i h ILE 127 CO -0.25 0.54 0.60 -0.07 0.00 0.00 0.00 178.15 178.96 2o8i h LEU 128 N -0.61 0.73 -0.11 1.44 3.38 -0.98 0.14 115.31 119.30 2o8i h LEU 128 Ca -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2o8i h LEU 128 Cb 0.98 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2o8i h LEU 128 CO 0.04 0.36 0.02 -1.28 0.09 0.00 0.00 178.44 177.66 2o8i h SER 129 N 0.77 0.18 -0.62 -0.43 0.87 -0.78 -0.63 113.55 112.90 2o8i h SER 129 Ca 0.48 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2o8i h SER 129 Cb 0.72 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 2o8i h SER 129 CO -0.25 0.40 0.37 0.00 -0.53 0.00 0.00 176.83 176.83 2o8i h ALA 130 N 0.79 0.79 -0.42 6.23 0.00 -0.92 -1.42 119.26 124.30 2o8i h ALA 130 Ca 0.03 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2o8i h ALA 130 Cb 0.30 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2o8i h ALA 130 CO 0.00 0.26 0.07 0.74 0.00 0.00 0.00 179.25 180.33 2o8i h PHE 131 N 0.84 0.11 0.09 0.00 0.04 -0.50 0.74 116.94 118.26 2o8i h PHE 131 Ca 0.22 0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.03 2o8i h PHE 131 Cb -0.03 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2o8i h PHE 131 CO -0.02 -0.01 -0.18 0.22 -0.60 0.00 0.00 178.31 177.73 2o8i h ASP 132 N 0.20 -0.50 0.16 2.17 3.58 -0.71 -1.42 116.42 119.91 2o8i h ASP 132 Ca 0.21 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2o8i h ASP 132 Cb 0.26 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2o8i h ASP 132 CO -0.28 -0.26 -0.08 0.74 -2.88 0.00 0.00 179.24 176.48 2o8i h THR 133 N -0.34 0.86 -0.00 2.25 2.02 -1.17 -3.36 112.91 113.17 2o8i h THR 133 Ca 0.03 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 2o8i h THR 133 Cb 0.36 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2o8i h THR 133 CO -0.11 0.02 -0.78 0.03 0.37 0.00 0.00 175.52 175.06 2o8i h ARG 134 N -0.27 0.02 0.00 6.66 3.08 -0.74 -2.91 114.38 120.22 2o8i h ARG 134 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2o8i h ARG 134 Cb 0.21 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2o8i h ARG 134 CO 0.04 0.79 -0.01 0.97 -1.07 0.00 0.00 179.97 180.69 2o8i h ILE 135 N 0.01 0.73 -0.01 2.04 6.09 -1.40 -1.83 117.51 123.14 2o8i h ILE 135 Ca -0.01 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 2o8i h ILE 135 Cb 1.38 1.02 0.00 0.00 0.47 0.00 0.00 36.82 39.69 2o8i h ILE 135 CO 0.10 0.01 -0.02 0.47 -3.07 0.00 0.00 178.15 175.65 2o8i n ASP 136 N -4.13 0.94 -4.83 2.19 8.00 -1.10 -4.90 116.55 112.73 2o8i n ASP 136 Ca -0.03 -1.26 -0.29 0.00 0.71 0.00 0.00 54.79 53.93 2o8i n ASP 136 Cb 0.09 -0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 2o8i n ASP 136 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2o8i s ASN 137 N -2.05 4.39 0.44 -2.24 0.02 -0.69 -5.09 114.94 109.72 2o8i s ASN 137 Ca 0.40 0.70 0.04 0.00 -1.02 0.00 0.00 52.86 52.99 2o8i s ASN 137 Cb 0.21 -1.16 0.01 0.00 0.02 0.00 0.00 41.25 40.33 2o8i s ASN 137 CO 0.36 -1.97 0.62 0.54 0.02 0.00 0.00 177.10 176.67 2o8i s ASN 138 N -4.61 5.68 0.32 -1.22 2.20 -1.26 -4.91 114.94 111.14 2o8i s ASN 138 Ca 0.63 -0.10 0.08 0.00 -0.94 0.00 0.00 52.86 52.53 2o8i s ASN 138 Cb -0.10 -1.06 0.81 0.00 -2.00 0.00 0.00 41.25 38.90 2o8i s ASN 138 CO 0.49 -0.76 1.77 0.00 -2.94 0.00 0.00 177.10 175.66 2o8i h ALA 139 N 0.51 1.77 -0.32 3.54 0.00 -1.98 -1.79 119.26 120.98 2o8i h ALA 139 Ca -0.43 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2o8i h ALA 139 Cb 1.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2o8i h ALA 139 CO 0.52 -0.16 -0.49 0.00 0.00 0.00 0.00 179.25 179.11 2o8i h ALA 140 N 1.66 0.50 0.01 0.00 0.00 -1.99 -2.03 119.26 117.41 2o8i h ALA 140 Ca 0.59 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2o8i h ALA 140 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2o8i h ALA 140 CO -0.38 0.68 -0.00 1.96 0.00 0.00 0.00 179.25 181.51 2o8i h GLN 141 N 0.71 -0.01 0.00 0.00 4.20 -1.74 -2.16 115.11 116.11 2o8i h GLN 141 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2o8i h GLN 141 Cb 1.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 2o8i h GLN 141 CO 0.11 0.27 -0.03 0.93 -0.67 0.00 0.00 178.83 179.44 2o8i h GLU 142 N -0.29 0.00 -0.11 1.46 4.39 -1.49 0.63 114.58 119.17 2o8i h GLU 142 Ca -0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 2o8i h GLU 142 Cb 0.28 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2o8i h GLU 142 CO 0.00 0.03 -0.73 0.35 -1.16 0.00 0.00 179.01 177.51 2o8i h PHE 143 N 0.00 0.95 0.13 4.33 3.57 -1.26 0.73 116.94 125.39 2o8i h PHE 143 Ca -0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2o8i h PHE 143 Cb 0.06 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2o8i h PHE 143 CO 0.00 1.26 -0.11 0.00 -2.23 0.00 0.00 178.31 177.22 2o8i h ALA 144 N 0.50 -0.23 0.05 2.41 0.00 -0.67 -1.99 119.26 119.32 2o8i h ALA 144 Ca -0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2o8i h ALA 144 Cb 1.37 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2o8i h ALA 144 CO 0.15 -0.64 -0.03 1.15 0.00 0.00 0.00 179.25 179.87 2o8i h THR 145 N -0.26 0.92 -0.44 0.00 2.02 -0.90 -1.89 112.91 112.37 2o8i h THR 145 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2o8i h THR 145 Cb 0.24 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2o8i h THR 145 CO -0.02 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.15 2o8i h ALA 146 N 0.87 0.56 -0.48 6.16 0.00 -0.85 0.16 119.26 125.68 2o8i h ALA 146 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2o8i h ALA 146 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2o8i h ALA 146 CO -0.00 0.03 0.12 1.79 0.00 0.00 0.00 179.25 181.18 2o8i h THR 147 N 0.59 1.21 -0.66 0.00 1.35 -1.32 -1.02 112.91 113.05 2o8i h THR 147 Ca 0.16 -0.75 -0.04 0.00 -0.55 0.00 0.00 66.41 65.23 2o8i h THR 147 Cb -0.04 0.72 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 2o8i h THR 147 CO -0.03 0.28 0.26 1.23 -0.25 0.00 0.00 175.52 177.00 2o8i h GLY 148 N 0.91 1.07 1.13 5.82 0.00 -0.52 -2.80 103.07 108.67 2o8i h GLY 148 Ca 0.16 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 2o8i h GLY 148 CO -0.00 0.55 -0.37 1.46 0.00 0.00 0.00 176.54 178.18 2o8i h GLN 149 N 0.94 0.95 -0.46 4.80 1.08 -0.38 -2.75 115.11 119.30 2o8i h GLN 149 Ca 0.22 -0.49 0.05 0.00 -1.45 0.00 0.00 58.65 56.98 2o8i h GLN 149 Cb 0.21 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2o8i h GLN 149 CO -0.02 1.15 0.31 0.28 -0.95 0.00 0.00 178.83 179.60 2o8i h VAL 150 N 0.78 0.99 0.03 -0.54 2.07 -1.14 0.70 116.25 119.15 2o8i h VAL 150 Ca 0.07 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2o8i h VAL 150 Cb 0.97 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2o8i h VAL 150 CO 0.09 0.08 -0.02 -0.33 0.02 0.00 0.00 177.57 177.42 2o8i h GLU 151 N 0.43 -0.04 0.00 1.57 5.08 -1.22 -1.27 114.58 119.13 2o8i h GLU 151 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2o8i h GLU 151 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2o8i h GLU 151 CO -0.05 0.64 0.00 1.63 -1.00 0.00 0.00 179.01 180.23 2o8i n LYS 152 N -4.74 0.00 -0.24 2.33 5.02 -1.16 -1.03 118.16 118.34 2o8i n LYS 152 Ca -0.08 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.16 2o8i n LYS 152 Cb 0.34 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.45 2o8i n LYS 152 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2o8i h ILE 153 N 0.00 1.25 -0.60 -0.18 2.04 -0.66 -1.56 117.51 117.79 2o8i h ILE 153 Ca 0.00 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.08 2o8i h ILE 153 Cb 0.00 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 2o8i h ILE 153 CO 0.00 0.34 0.29 0.00 0.00 0.00 0.00 178.15 178.78 2o8i h ALA 154 N 1.21 0.79 -0.08 1.87 0.00 -0.67 0.31 119.26 122.69 2o8i h ALA 154 Ca 0.24 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2o8i h ALA 154 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2o8i h ALA 154 CO -0.01 -0.08 0.05 2.35 0.00 0.00 0.00 179.25 181.56 2o8i h TRP 155 N 0.54 0.11 -0.92 0.00 2.91 -0.68 -0.48 115.95 117.42 2o8i h TRP 155 Ca 0.28 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.30 2o8i h TRP 155 Cb 0.24 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 2o8i h TRP 155 CO -0.11 0.13 0.57 -0.07 -1.03 0.00 0.00 178.44 177.93 2o8i h LEU 156 N 0.05 1.09 0.54 0.65 3.38 -0.33 0.21 115.31 120.91 2o8i h LEU 156 Ca 0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2o8i h LEU 156 Cb 0.06 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.54 2o8i h LEU 156 CO -0.00 0.82 -0.26 0.03 0.09 0.00 0.00 178.44 179.12 2o8i h ARG 157 N 1.26 -0.70 -0.85 1.13 3.08 -0.11 -2.84 114.38 115.34 2o8i h ARG 157 Ca 0.33 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.54 2o8i h ARG 157 Cb -0.08 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 2o8i h ARG 157 CO -0.07 -0.44 0.49 -0.07 -1.07 0.00 0.00 179.97 178.82 2o8i h LEU 158 N -0.81 0.68 -2.36 3.04 3.38 -0.87 -1.02 115.31 117.36 2o8i h LEU 158 Ca -0.07 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2o8i h LEU 158 Cb 0.59 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2o8i h LEU 158 CO 0.12 0.37 0.06 0.00 0.09 0.00 0.00 178.44 179.08 2o8i h ALA 159 N 1.49 1.65 -0.08 1.53 0.00 -0.52 -1.41 119.26 121.92 2o8i h ALA 159 Ca 0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 2o8i h ALA 159 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2o8i h ALA 159 CO -0.27 -0.09 0.05 -1.13 0.00 0.00 0.00 179.25 177.80 2o8i n SER 160 N -3.90 2.72 0.00 0.00 3.41 -0.39 -4.84 113.62 110.63 2o8i n SER 160 Ca -0.02 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 2o8i n SER 160 Cb 0.16 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2o8i n SER 160 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2o8i n LEU 162 N 0.29 0.00 -4.77 1.04 4.77 -0.53 -5.14 117.00 112.65 2o8i n LEU 162 Ca 0.05 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.70 2o8i n LEU 162 Cb 0.55 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2o8i n LEU 162 CO 0.05 0.00 0.73 -2.84 -1.33 0.00 0.00 177.39 174.00 2o8i s PRO 163 N 0.00 2.71 0.01 3.23 0.02 -1.26 -4.56 135.00 135.14 2o8i s PRO 163 Ca 0.00 1.33 -0.21 0.00 0.02 0.00 0.00 61.00 62.14 2o8i s PRO 163 Cb 0.00 -1.94 -0.20 0.00 0.02 0.00 0.00 34.50 32.38 2o8i s PRO 163 CO 0.00 -1.31 1.18 0.93 -0.33 0.00 0.00 177.00 177.46 2o8i h GLU 164 N -0.22 0.37 0.00 5.54 5.08 -1.93 0.17 114.58 123.58 2o8i h GLU 164 Ca -0.46 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 2o8i h GLU 164 Cb 1.24 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2o8i h GLU 164 CO 0.54 0.95 0.00 0.41 -1.00 0.00 0.00 179.01 179.91