#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i n GLU 2 N 0.00 0.99 -2.67 1.61 1.02 -1.26 -4.89 120.64 115.44 3h1i n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3h1i n GLU 2 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 3h1i n GLU 2 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h1i s LEU 3 N -1.91 4.53 -0.02 -4.62 1.43 -1.26 -5.05 118.68 111.78 3h1i s LEU 3 Ca 0.43 1.91 -0.22 0.00 -1.03 0.00 0.00 54.13 55.22 3h1i s LEU 3 Cb 0.20 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.86 3h1i s LEU 3 CO 0.33 -0.06 0.47 -1.83 0.23 0.00 0.00 176.35 175.49 3h1i s GLU 4 N -0.36 0.86 -0.18 1.70 -1.05 -1.26 -4.84 118.70 113.56 3h1i s GLU 4 Ca 0.46 -0.04 -0.14 0.00 -0.15 0.00 0.00 54.97 55.10 3h1i s GLU 4 Cb -0.26 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 3h1i s GLU 4 CO 0.32 -0.26 0.31 -1.17 0.95 0.00 0.00 175.26 175.40 3h1i s LEU 5 N -1.38 4.20 -0.14 1.83 2.96 -1.26 -5.07 118.68 119.83 3h1i s LEU 5 Ca -0.11 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.05 3h1i s LEU 5 Cb -0.03 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 3h1i s LEU 5 CO 0.05 0.05 0.63 -1.00 -1.32 0.00 0.00 176.35 174.76 3h1i s HIS 6 N 0.77 3.46 0.46 5.38 3.76 -1.26 -4.75 115.29 123.11 3h1i s HIS 6 Ca 0.16 1.03 -0.25 0.00 -0.15 0.00 0.00 55.06 55.85 3h1i s HIS 6 Cb -0.13 -2.76 -0.08 0.00 1.11 0.00 0.00 32.58 30.71 3h1i s HIS 6 CO 0.05 -0.03 1.38 -0.35 -0.85 0.00 0.00 174.74 174.94 3h1i n PRO 7 N 4.40 2.08 -0.10 8.40 -0.04 -1.26 -5.03 135.00 143.45 3h1i n PRO 7 Ca -0.02 0.74 -0.05 0.00 -0.04 0.00 0.00 63.50 64.14 3h1i n PRO 7 Cb 0.51 -2.56 0.04 0.00 -0.04 0.00 0.00 33.50 31.44 3h1i n PRO 7 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3h1i n PRO 8 N -0.27 -1.81 -3.75 0.54 -0.04 -1.26 -4.99 135.00 123.41 3h1i n PRO 8 Ca 0.06 -0.24 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 3h1i n PRO 8 Cb 0.42 -0.26 -0.16 0.00 -0.04 0.00 0.00 33.50 33.46 3h1i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i s ALA 9 N -2.57 1.35 0.35 0.55 0.00 -1.26 -4.84 121.76 115.35 3h1i s ALA 9 Ca 0.10 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 3h1i s ALA 9 Cb -0.01 -1.43 -0.10 0.00 0.00 0.00 0.00 23.12 21.58 3h1i s ALA 9 CO 0.08 -1.43 0.87 -0.06 0.00 0.00 0.00 175.76 175.22 3h1i s PHE 10 N 1.70 3.46 -1.48 0.00 0.40 -1.26 -4.96 117.98 115.83 3h1i s PHE 10 Ca 0.04 1.52 -0.11 0.00 -0.60 0.00 0.00 56.93 57.78 3h1i s PHE 10 Cb -0.17 -2.76 0.02 0.00 0.51 0.00 0.00 43.02 40.62 3h1i s PHE 10 CO -0.17 0.07 2.47 -0.35 0.70 0.00 0.00 175.22 177.94 3h1i n PRO 11 N -0.12 3.46 -1.45 0.24 -0.04 -1.26 -4.98 135.00 130.85 3h1i n PRO 11 Ca 0.04 -2.67 -0.39 0.00 -0.04 0.00 0.00 63.50 60.44 3h1i n PRO 11 Cb 0.53 -2.99 0.03 0.00 -0.04 0.00 0.00 33.50 31.03 3h1i n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h1i n TRP 12 N 4.40 -0.84 -0.04 0.54 7.02 -1.26 -4.81 117.44 122.45 3h1i n TRP 12 Ca 0.61 0.46 0.10 0.00 -1.02 0.00 0.00 57.50 57.66 3h1i n TRP 12 Cb 0.31 -1.94 0.50 0.00 -2.42 0.00 0.00 31.31 27.76 3h1i n TRP 12 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3h1i h SER 13 N 0.30 0.36 -0.43 -0.99 4.64 -1.93 -2.02 113.55 113.49 3h1i h SER 13 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h1i h SER 13 Cb 1.40 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3h1i h SER 13 CO 0.47 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.66 3h1i n HIS 14 N -4.47 0.55 -0.31 4.77 -0.00 -1.24 -4.60 115.22 109.92 3h1i n HIS 14 Ca 0.07 -0.28 0.09 0.00 -0.00 0.00 0.00 57.72 57.60 3h1i n HIS 14 Cb 0.29 -0.00 0.30 0.00 -0.00 0.00 0.00 29.99 30.58 3h1i n HIS 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3h1i h GLY 15 N 4.38 1.41 -2.05 -1.39 0.00 -1.61 -3.41 103.07 100.39 3h1i h GLY 15 Ca 0.00 -0.37 -0.51 0.00 0.00 0.00 0.00 47.33 46.45 3h1i h GLY 15 CO 0.00 0.15 0.43 -0.32 0.00 0.00 0.00 176.54 176.81 3h1i s GLY 16 N -3.56 2.61 0.62 4.60 0.00 -1.26 -4.89 107.32 105.44 3h1i s GLY 16 Ca -0.11 0.83 0.27 0.00 0.00 0.00 0.00 44.72 45.72 3h1i s GLY 16 CO 0.80 1.20 1.81 -0.56 0.00 0.00 0.00 173.10 176.35 3h1i h PRO 17 N 1.04 0.00 -0.04 2.90 0.13 -2.01 0.46 132.00 134.48 3h1i h PRO 17 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3h1i h PRO 17 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3h1i h PRO 17 CO 0.56 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 3h1i n LEU 18 N -3.37 1.72 -4.62 1.56 4.77 -1.26 -4.86 117.00 110.94 3h1i n LEU 18 Ca 0.06 -1.49 -0.42 0.00 -0.03 0.00 0.00 56.01 54.13 3h1i n LEU 18 Cb 0.67 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3h1i n LEU 18 CO 0.22 0.41 0.73 -0.44 -1.33 0.00 0.00 177.39 176.98 3h1i s SER 19 N -0.61 6.74 0.90 -1.43 0.01 0.16 -5.01 113.70 114.46 3h1i s SER 19 Ca 0.04 0.73 -0.14 0.00 1.31 0.00 0.00 55.95 57.90 3h1i s SER 19 Cb 0.03 -2.46 0.14 0.00 0.21 0.00 0.00 66.02 63.94 3h1i s SER 19 CO 0.04 -0.75 1.21 0.00 0.41 0.00 0.00 173.24 174.14 3h1i s ALA 20 N 3.28 2.21 0.26 1.44 0.00 -1.26 -4.57 121.76 123.13 3h1i s ALA 20 Ca 0.37 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 3h1i s ALA 20 Cb -0.13 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 3h1i s ALA 20 CO 0.15 -2.14 0.93 -0.51 0.00 0.00 0.00 175.76 174.19 3h1i s LEU 21 N -5.85 4.54 -1.26 0.00 1.43 -1.26 -3.70 118.68 112.58 3h1i s LEU 21 Ca 0.66 1.88 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 3h1i s LEU 21 Cb -0.10 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.43 3h1i s LEU 21 CO 0.51 0.09 1.80 -0.62 0.23 0.00 0.00 176.35 178.36 3h1i s ASP 22 N -1.32 6.26 0.60 2.29 2.15 -1.26 -4.77 116.67 120.62 3h1i s ASP 22 Ca 0.44 -2.19 0.28 0.00 0.43 0.00 0.00 52.55 51.50 3h1i s ASP 22 Cb -0.23 -2.58 1.00 0.00 -0.30 0.00 0.00 42.92 40.80 3h1i s ASP 22 CO 0.29 -1.78 1.35 0.45 -0.17 0.00 0.00 175.17 175.31 3h1i h HIS 23 N 8.27 0.00 -0.20 -5.34 3.86 -1.92 1.39 115.15 121.22 3h1i h HIS 23 Ca 0.37 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 3h1i h HIS 23 Cb 0.89 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 3h1i h HIS 23 CO 1.36 0.00 0.09 0.77 0.86 0.00 0.00 177.93 181.01 3h1i h SER 24 N 0.00 0.26 0.78 2.45 0.02 -1.91 -2.68 113.55 112.47 3h1i h SER 24 Ca 0.50 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 3h1i h SER 24 Cb 2.89 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 65.35 3h1i h SER 24 CO -0.01 0.33 -0.24 -1.28 -1.14 0.00 0.00 176.83 174.49 3h1i h SER 25 N 0.18 0.00 -0.07 3.07 0.87 0.15 -2.99 113.55 114.75 3h1i h SER 25 Ca 0.07 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.38 3h1i h SER 25 Cb 0.14 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3h1i h SER 25 CO -0.01 0.24 -0.89 0.58 -0.53 0.00 0.00 176.83 176.22 3h1i h VAL 26 N 0.00 1.28 -0.34 2.23 2.07 -1.35 0.47 116.25 120.61 3h1i h VAL 26 Ca -0.00 -2.09 0.09 0.00 0.82 0.00 0.00 66.70 65.52 3h1i h VAL 26 Cb 0.69 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3h1i h VAL 26 CO 0.03 0.66 0.24 -0.09 0.02 0.00 0.00 177.57 178.43 3h1i h ARG 27 N 0.48 0.02 0.00 1.57 2.43 -1.33 1.69 114.38 119.23 3h1i h ARG 27 Ca -0.08 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 3h1i h ARG 27 Cb 1.53 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 3h1i h ARG 27 CO 0.18 0.02 -0.43 0.00 -1.51 0.00 0.00 179.97 178.22 3h1i h ARG 28 N 0.02 0.00 -0.94 0.20 3.08 -1.47 -3.18 114.38 112.09 3h1i h ARG 28 Ca 0.16 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.48 3h1i h ARG 28 Cb 0.62 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.49 3h1i h ARG 28 CO -0.01 0.58 0.05 0.41 -1.07 0.00 0.00 179.97 179.94 3h1i n GLY 29 N 1.60 -1.24 0.22 0.04 0.00 0.16 0.14 105.19 106.11 3h1i n GLY 29 Ca -0.13 0.91 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 3h1i n GLY 29 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h1i h PHE 30 N 0.00 -0.46 -0.85 1.61 3.57 0.23 -0.53 116.94 120.51 3h1i h PHE 30 Ca 0.59 0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.23 3h1i h PHE 30 Cb 1.25 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 40.08 3h1i h PHE 30 CO -0.45 -0.27 0.44 0.37 -2.23 0.00 0.00 178.31 176.18 3h1i h GLN 31 N -0.38 0.62 -0.81 1.11 4.15 0.12 0.53 115.11 120.47 3h1i h GLN 31 Ca 0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3h1i h GLN 31 Cb 0.36 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 3h1i h GLN 31 CO -0.05 0.41 0.48 0.28 -1.93 0.00 0.00 178.83 178.02 3h1i h VAL 32 N 0.64 1.23 0.12 2.39 2.07 -0.15 0.06 116.25 122.61 3h1i h VAL 32 Ca 0.46 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3h1i h VAL 32 Cb 0.63 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3h1i h VAL 32 CO -0.35 0.24 -0.06 0.22 0.02 0.00 0.00 177.57 177.64 3h1i h TYR 33 N 1.10 -0.14 0.21 1.57 3.20 0.10 -2.14 116.97 120.87 3h1i h TYR 33 Ca 0.29 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.17 3h1i h TYR 33 Cb -0.04 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3h1i h TYR 33 CO -0.00 0.19 -0.35 -0.22 -1.64 0.00 0.00 178.16 176.14 3h1i h LYS 34 N -0.50 -0.61 0.00 1.82 3.64 0.12 0.16 116.57 121.20 3h1i h LYS 34 Ca -0.02 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3h1i h LYS 34 Cb 0.40 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3h1i h LYS 34 CO 0.03 -0.41 0.00 1.04 -2.27 0.00 0.00 179.45 177.84 3h1i n GLN 35 N -5.44 0.14 0.01 1.90 6.02 -0.01 -4.03 117.38 115.97 3h1i n GLN 35 Ca -0.08 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3h1i n GLN 35 Cb 0.35 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3h1i n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1i n VAL 36 N -1.93 0.12 0.04 5.09 0.31 -0.80 -4.87 118.33 116.29 3h1i n VAL 36 Ca 0.06 0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 3h1i n VAL 36 Cb 0.38 -1.42 -0.14 0.00 -0.91 0.00 0.00 33.84 31.75 3h1i n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1i n SER 38 N -3.37 0.20 -0.39 0.00 3.41 0.54 0.16 113.62 114.18 3h1i n SER 38 Ca -0.16 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3h1i n SER 38 Cb 1.03 -0.37 0.44 0.00 -0.26 0.00 0.00 64.21 65.06 3h1i n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1i n ALA 39 N -1.43 2.81 0.00 7.33 0.00 -1.25 -4.30 120.51 123.66 3h1i n ALA 39 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3h1i n ALA 39 Cb 0.35 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3h1i n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1i s HIS 41 N -0.53 3.09 0.45 0.00 3.76 0.43 -4.76 115.29 117.73 3h1i s HIS 41 Ca 0.00 -0.77 -0.22 0.00 -0.15 0.00 0.00 55.06 53.92 3h1i s HIS 41 Cb 0.00 -2.22 -0.08 0.00 1.11 0.00 0.00 32.58 31.39 3h1i s HIS 41 CO 0.00 -0.49 1.08 -1.54 -0.85 0.00 0.00 174.74 172.93 3h1i s SER 42 N 1.54 6.42 -0.32 1.40 1.04 -1.26 -4.31 113.70 118.21 3h1i s SER 42 Ca 0.05 2.07 0.18 0.00 0.48 0.00 0.00 55.95 58.73 3h1i s SER 42 Cb -0.16 -2.58 0.47 0.00 0.10 0.00 0.00 66.02 63.85 3h1i s SER 42 CO 0.02 -0.73 1.01 0.80 0.98 0.00 0.00 173.24 175.31 3h1i n MET 43 N -0.53 1.58 0.00 4.02 0.00 -1.26 -1.34 117.12 119.59 3h1i n MET 43 Ca 0.07 -3.46 0.00 0.00 0.00 0.00 0.00 57.70 54.31 3h1i n MET 43 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.26 3h1i n MET 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3h1i n ASP 44 N -0.25 0.00 0.00 6.12 8.00 -1.26 -1.91 116.55 127.25 3h1i n ASP 44 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3h1i n ASP 44 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 3h1i n ASP 44 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3h1i n TYR 45 N -0.56 0.00 -4.34 1.24 4.02 -1.26 -4.91 117.16 111.35 3h1i n TYR 45 Ca 0.00 -0.40 -0.26 0.00 -0.01 0.00 0.00 57.90 57.22 3h1i n TYR 45 Cb 0.00 -0.04 -0.08 0.00 -0.02 0.00 0.00 39.34 39.19 3h1i n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1i s VAL 46 N -0.81 2.10 -0.28 -0.72 1.01 -0.80 -5.06 120.40 115.83 3h1i s VAL 46 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 59.95 3h1i s VAL 46 Cb 0.00 -2.92 0.11 0.00 0.00 0.00 0.00 36.38 33.57 3h1i s VAL 46 CO 0.00 0.00 0.91 0.00 0.00 0.00 0.00 175.10 176.01 3h1i s ALA 47 N -2.66 -2.00 0.10 5.51 0.00 -1.26 -2.36 121.76 119.08 3h1i s ALA 47 Ca 0.36 2.07 0.03 0.00 0.00 0.00 0.00 51.96 54.42 3h1i s ALA 47 Cb 0.06 -1.46 0.31 0.00 0.00 0.00 0.00 23.12 22.03 3h1i s ALA 47 CO 0.20 -0.30 0.48 1.19 0.00 0.00 0.00 175.76 177.32 3h1i n PHE 48 N 2.98 0.27 -0.06 0.00 3.01 -1.21 0.30 117.46 122.75 3h1i n PHE 48 Ca -0.15 0.36 0.07 0.00 1.01 0.00 0.00 57.45 58.74 3h1i n PHE 48 Cb 0.57 -0.77 0.44 0.00 -0.01 0.00 0.00 39.48 39.70 3h1i n PHE 48 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 3h1i h ARG 49 N 0.00 0.53 -0.88 -1.08 0.11 -1.45 -1.18 114.38 110.42 3h1i h ARG 49 Ca 0.22 -0.03 0.11 0.00 0.10 0.00 0.00 59.98 60.37 3h1i h ARG 49 Cb 0.52 -0.12 -0.07 0.00 1.11 0.00 0.00 29.97 31.41 3h1i h ARG 49 CO -0.26 0.35 0.57 -0.91 0.10 0.00 0.00 179.97 179.82 3h1i h ASN 50 N 0.54 0.76 -0.32 0.08 2.35 0.44 -2.14 115.58 117.30 3h1i h ASN 50 Ca 0.23 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3h1i h ASN 50 Cb 0.21 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3h1i h ASN 50 CO -0.06 0.44 0.20 -0.07 -1.65 0.00 0.00 177.43 176.29 3h1i h LEU 51 N 0.84 0.38 -8.58 1.61 3.38 -1.31 -3.41 115.31 108.22 3h1i h LEU 51 Ca 0.42 -0.03 -0.76 0.00 0.09 0.00 0.00 57.88 57.60 3h1i h LEU 51 Cb 0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3h1i h LEU 51 CO -0.18 0.30 1.14 -0.38 0.09 0.00 0.00 178.44 179.41 3h1i n ILE 52 N -4.84 0.12 -0.10 1.22 5.41 -0.81 0.27 119.36 120.63 3h1i n ILE 52 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3h1i n ILE 52 Cb 0.04 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 3h1i n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1i n GLY 53 N 5.90 1.11 0.29 7.39 0.00 0.44 -4.86 105.19 115.44 3h1i n GLY 53 Ca 0.41 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 3h1i n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1i n VAL 54 N -2.00 1.32 0.00 1.61 0.31 0.14 -4.87 118.33 114.84 3h1i n VAL 54 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3h1i n VAL 54 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 3h1i n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1i n THR 55 N -4.11 0.00 -4.24 2.52 -2.24 -0.81 -4.86 114.28 100.54 3h1i n THR 55 Ca -0.33 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 3h1i n THR 55 Cb 0.68 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3h1i n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1i s HIS 56 N -0.15 1.26 0.26 4.78 4.02 -1.19 -4.86 115.29 119.41 3h1i s HIS 56 Ca 0.00 -1.28 0.05 0.00 1.02 0.00 0.00 55.06 54.85 3h1i s HIS 56 Cb 0.00 -0.67 -0.03 0.00 -1.02 0.00 0.00 32.58 30.86 3h1i s HIS 56 CO 0.00 -0.50 0.39 0.95 1.02 0.00 0.00 174.74 176.59 3h1i s THR 57 N -3.98 5.09 0.13 1.30 -4.23 -1.26 -0.42 115.64 112.26 3h1i s THR 57 Ca 0.36 -0.96 -0.31 0.00 -1.18 0.00 0.00 61.69 59.59 3h1i s THR 57 Cb 0.07 -3.80 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 3h1i s THR 57 CO 0.11 -0.32 1.52 -0.08 -0.54 0.00 0.00 174.62 175.32 3h1i h GLU 58 N 1.11 -0.34 0.00 3.99 4.81 -1.98 -1.57 114.58 120.59 3h1i h GLU 58 Ca -0.51 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3h1i h GLU 58 Cb 1.23 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3h1i h GLU 58 CO 0.60 -0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.65 3h1i n ALA 59 N -3.08 -0.14 -0.20 2.92 0.00 -1.26 -1.92 120.51 116.82 3h1i n ALA 59 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 3h1i n ALA 59 Cb 0.32 0.32 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 3h1i n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1i n GLU 60 N -2.49 -0.18 0.03 0.00 1.02 -0.95 0.98 120.64 119.06 3h1i n GLU 60 Ca 0.00 0.77 -0.10 0.00 -0.02 0.00 0.00 57.16 57.80 3h1i n GLU 60 Cb 0.00 -1.13 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 3h1i n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h1i h ALA 61 N 0.42 -0.26 -0.71 0.62 0.00 -0.89 0.34 119.26 118.79 3h1i h ALA 61 Ca 0.12 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3h1i h ALA 61 Cb 0.24 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3h1i h ALA 61 CO -0.48 -0.71 0.17 -0.22 0.00 0.00 0.00 179.25 178.01 3h1i h LYS 62 N -0.33 0.27 -0.12 0.00 3.64 0.13 0.46 116.57 120.62 3h1i h LYS 62 Ca 0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3h1i h LYS 62 Cb 0.44 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3h1i h LYS 62 CO -0.25 0.18 0.04 0.00 -2.27 0.00 0.00 179.45 177.15 3h1i h ALA 63 N 1.58 0.16 -0.92 5.00 0.00 -0.10 -0.19 119.26 124.79 3h1i h ALA 63 Ca 0.39 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.33 3h1i h ALA 63 Cb 0.64 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3h1i h ALA 63 CO -0.48 -0.23 0.59 -0.07 0.00 0.00 0.00 179.25 179.06 3h1i h LEU 64 N 0.02 0.69 0.09 0.00 3.38 0.17 -1.12 115.31 118.55 3h1i h LEU 64 Ca 0.04 0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.76 3h1i h LEU 64 Cb 0.21 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.90 3h1i h LEU 64 CO -0.00 0.34 -1.20 0.00 0.09 0.00 0.00 178.44 177.67 3h1i h ALA 65 N 1.59 0.03 0.00 1.53 0.00 0.18 -3.11 119.26 119.48 3h1i h ALA 65 Ca 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h1i h ALA 65 Cb 0.73 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3h1i h ALA 65 CO -0.23 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.10 3h1i n GLU 66 N -3.80 0.38 0.00 0.00 1.02 -0.11 -2.11 120.64 116.01 3h1i n GLU 66 Ca -0.13 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.22 3h1i n GLU 66 Cb 0.96 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 31.61 3h1i n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h1i n GLU 67 N -1.18 0.57 -4.34 3.49 1.02 -0.49 -4.51 120.64 115.20 3h1i n GLU 67 Ca 0.11 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 3h1i n GLU 67 Cb 0.12 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.93 3h1i n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1i s VAL 68 N -2.35 1.78 -0.19 2.62 1.01 -0.90 -5.06 120.40 117.31 3h1i s VAL 68 Ca 0.32 -2.07 -0.08 0.00 0.00 0.00 0.00 61.98 60.14 3h1i s VAL 68 Cb 0.18 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3h1i s VAL 68 CO 0.37 -0.46 0.08 -1.61 0.00 0.00 0.00 175.10 173.48 3h1i s GLU 69 N -3.23 4.00 -0.04 2.72 0.41 -1.26 -2.27 118.70 119.02 3h1i s GLU 69 Ca 0.19 -0.33 0.06 0.00 -0.41 0.00 0.00 54.97 54.48 3h1i s GLU 69 Cb -0.03 -3.28 -0.02 0.00 -1.78 0.00 0.00 34.13 29.01 3h1i s GLU 69 CO 0.07 0.23 -0.20 0.08 -0.49 0.00 0.00 175.26 174.95 3h1i s VAL 70 N 0.51 2.57 -0.39 2.63 1.01 0.11 -4.92 120.40 121.93 3h1i s VAL 70 Ca 0.04 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3h1i s VAL 70 Cb -0.12 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3h1i s VAL 70 CO 0.01 0.59 0.74 -1.58 0.00 0.00 0.00 175.10 174.85 3h1i s GLN 71 N -0.65 3.63 0.03 2.72 0.74 -1.26 -0.72 119.66 124.15 3h1i s GLN 71 Ca 0.10 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.63 3h1i s GLN 71 Cb -0.10 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.16 3h1i s GLN 71 CO -0.00 -0.90 0.00 -3.47 -0.55 0.00 0.00 175.29 170.37 3h1i n ASP 72 N 6.40 1.96 0.00 6.67 4.64 -0.38 -4.96 116.55 130.88 3h1i n ASP 72 Ca 0.02 -1.14 0.00 0.00 -1.38 0.00 0.00 54.79 52.29 3h1i n ASP 72 Cb 0.48 0.02 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 3h1i n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1i n GLY 73 N 4.62 0.25 3.80 0.27 0.00 -1.26 -2.82 105.19 110.05 3h1i n GLY 73 Ca -0.01 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 3h1i n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1i s PRO 74 N -0.05 1.17 0.17 1.61 0.04 -1.26 -5.07 135.00 131.62 3h1i s PRO 74 Ca 0.00 0.23 0.01 0.00 0.04 0.00 0.00 61.00 61.28 3h1i s PRO 74 Cb 0.00 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.72 3h1i s PRO 74 CO 0.00 -2.16 0.24 -0.40 0.04 0.00 0.00 177.00 174.72 3h1i n ASP 75 N -3.73 0.45 -0.04 6.66 5.68 0.51 -4.84 116.55 121.24 3h1i n ASP 75 Ca 0.07 -1.35 0.23 0.00 -0.50 0.00 0.00 54.79 53.24 3h1i n ASP 75 Cb 0.60 -0.14 0.72 0.00 -1.14 0.00 0.00 41.12 41.15 3h1i n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3h1i h GLU 76 N 0.00 0.00 -0.73 0.11 3.07 -2.03 0.40 114.58 115.39 3h1i h GLU 76 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3h1i h GLU 76 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3h1i h GLU 76 CO 0.10 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.80 3h1i n ASN 77 N -4.19 4.20 -0.98 1.42 3.02 -1.26 -4.92 115.26 112.55 3h1i n ASN 77 Ca 0.12 -2.11 -0.13 0.00 -0.03 0.00 0.00 54.58 52.44 3h1i n ASN 77 Cb 0.73 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.33 3h1i n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1i n GLY 78 N 1.56 1.32 3.93 7.41 0.00 0.14 -4.99 105.19 114.56 3h1i n GLY 78 Ca 0.25 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3h1i n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1i s GLU 79 N -3.11 3.51 0.39 1.61 0.41 -1.26 -4.68 118.70 115.58 3h1i s GLU 79 Ca 0.00 -0.35 0.02 0.00 -0.41 0.00 0.00 54.97 54.23 3h1i s GLU 79 Cb 0.00 -2.76 -0.01 0.00 -1.78 0.00 0.00 34.13 29.58 3h1i s GLU 79 CO 0.00 0.30 0.58 -0.51 -0.49 0.00 0.00 175.26 175.14 3h1i s LEU 80 N -3.76 3.82 0.11 1.80 1.43 -1.26 -0.36 118.68 120.46 3h1i s LEU 80 Ca 0.39 0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 3h1i s LEU 80 Cb -0.10 -3.04 0.07 0.00 0.03 0.00 0.00 46.19 43.15 3h1i s LEU 80 CO 0.31 -0.55 0.90 0.72 0.23 0.00 0.00 176.35 177.97 3h1i s PHE 81 N -2.39 -0.23 0.22 0.29 -0.12 -1.13 -4.95 117.98 109.68 3h1i s PHE 81 Ca 0.46 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 57.30 3h1i s PHE 81 Cb -0.10 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3h1i s PHE 81 CO 0.35 -0.76 0.41 -1.64 -0.05 0.00 0.00 175.22 173.53 3h1i s MET 82 N -3.30 3.53 0.11 1.99 -1.94 -1.26 -1.25 119.30 117.18 3h1i s MET 82 Ca 0.09 -0.32 -0.13 0.00 -1.71 0.00 0.00 55.69 53.62 3h1i s MET 82 Cb -0.01 -2.82 0.02 0.00 2.01 0.00 0.00 34.83 34.03 3h1i s MET 82 CO -0.02 0.37 0.31 -0.98 -0.01 0.00 0.00 175.02 174.70 3h1i s ARG 83 N -3.40 0.98 0.89 2.03 1.70 0.11 -4.90 118.95 116.35 3h1i s ARG 83 Ca 0.39 -0.81 -0.11 0.00 -0.47 0.00 0.00 55.73 54.72 3h1i s ARG 83 Cb -0.11 0.42 0.13 0.00 -0.57 0.00 0.00 34.95 34.82 3h1i s ARG 83 CO 0.29 -0.36 1.09 -1.25 -1.08 0.00 0.00 175.30 174.00 3h1i s PRO 84 N -3.83 1.28 0.31 3.89 0.04 -1.26 -0.71 135.00 134.71 3h1i s PRO 84 Ca 0.04 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 3h1i s PRO 84 Cb 0.03 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 3h1i s PRO 84 CO -0.12 -2.26 0.80 0.20 0.04 0.00 0.00 177.00 175.67 3h1i s GLY 85 N -3.29 2.52 0.38 0.56 0.00 -0.96 -4.64 107.32 101.88 3h1i s GLY 85 Ca 0.64 0.23 0.08 0.00 0.00 0.00 0.00 44.72 45.66 3h1i s GLY 85 CO 0.57 0.54 0.27 0.54 0.00 0.00 0.00 173.10 175.02 3h1i s LYS 86 N -2.51 2.48 0.45 2.90 1.02 -1.26 -3.47 119.74 119.34 3h1i s LYS 86 Ca 0.51 -1.54 0.31 0.00 0.02 0.00 0.00 55.97 55.27 3h1i s LYS 86 Cb -0.14 -2.28 1.48 0.00 -0.52 0.00 0.00 37.83 36.37 3h1i s LYS 86 CO 0.19 -0.04 1.93 -0.84 -0.92 0.00 0.00 175.35 175.67 3h1i h ILE 87 N 1.27 0.00 -0.03 2.17 3.07 -1.90 -2.74 117.51 119.35 3h1i h ILE 87 Ca -0.43 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.78 3h1i h ILE 87 Cb 1.26 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 3h1i h ILE 87 CO 0.61 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 176.17 3h1i n SER 88 N -2.67 0.60 -4.86 2.16 3.41 -1.26 -1.21 113.62 109.79 3h1i n SER 88 Ca -0.00 -1.35 -0.32 0.00 -0.26 0.00 0.00 58.87 56.94 3h1i n SER 88 Cb 0.17 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 3h1i n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h1i s ASP 89 N -1.80 6.69 0.26 4.04 1.01 -1.04 -4.98 116.67 120.85 3h1i s ASP 89 Ca 0.37 1.27 -0.14 0.00 0.71 0.00 0.00 52.55 54.77 3h1i s ASP 89 Cb 0.18 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 3h1i s ASP 89 CO 0.30 -0.31 0.65 -0.31 0.21 0.00 0.00 175.17 175.71 3h1i s TYR 90 N -2.17 3.46 0.00 4.23 1.51 -1.26 -3.31 117.35 119.81 3h1i s TYR 90 Ca 0.54 1.11 -0.38 0.00 -1.01 0.00 0.00 57.07 57.33 3h1i s TYR 90 Cb -0.10 -2.44 -0.17 0.00 -0.11 0.00 0.00 41.96 39.14 3h1i s TYR 90 CO 0.23 0.23 1.34 1.19 -1.11 0.00 0.00 175.55 177.43 3h1i n PHE 91 N 0.01 1.40 -1.71 2.71 3.72 -1.00 -4.78 117.46 117.82 3h1i n PHE 91 Ca 0.01 0.73 -0.59 0.00 -0.05 0.00 0.00 57.45 57.55 3h1i n PHE 91 Cb 0.52 -2.29 -0.08 0.00 -0.94 0.00 0.00 39.48 36.70 3h1i n PHE 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3h1i n PRO 92 N 2.70 0.99 -2.31 -1.08 -0.02 -1.26 -4.45 135.00 129.56 3h1i n PRO 92 Ca 0.20 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3h1i n PRO 92 Cb 0.15 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3h1i n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1i s LYS 93 N 3.61 4.49 0.28 -0.52 1.02 -1.26 -4.71 119.74 122.66 3h1i s LYS 93 Ca 1.00 1.97 0.23 0.00 0.02 0.00 0.00 55.97 59.19 3h1i s LYS 93 Cb -1.13 -3.17 0.29 0.00 -0.52 0.00 0.00 37.83 33.30 3h1i s LYS 93 CO 0.68 -0.04 1.40 -1.00 -0.92 0.00 0.00 175.35 175.47 3h1i h PRO 94 N 4.33 0.00 -4.90 -1.68 0.13 -1.88 -3.46 132.00 124.54 3h1i h PRO 94 Ca -0.46 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 3h1i h PRO 94 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 3h1i h PRO 94 CO 0.70 0.00 -0.77 0.71 -0.23 0.00 0.00 178.00 178.41 3h1i s TYR 95 N -3.24 0.92 -1.04 1.56 1.51 -1.26 -5.01 117.35 110.79 3h1i s TYR 95 Ca 0.05 -0.34 0.16 0.00 -1.01 0.00 0.00 57.07 55.93 3h1i s TYR 95 Cb 0.09 -0.55 0.68 0.00 -0.11 0.00 0.00 41.96 42.07 3h1i s TYR 95 CO 0.71 -0.01 1.50 -0.35 -1.11 0.00 0.00 175.55 176.29 3h1i n PRO 96 N 2.00 0.02 -3.61 -1.71 -0.04 -1.26 -4.85 135.00 125.55 3h1i n PRO 96 Ca -0.18 0.22 -0.04 0.00 -0.04 0.00 0.00 63.50 63.46 3h1i n PRO 96 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 3h1i n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h1i s ASN 97 N -2.96 -0.12 0.12 3.54 2.20 -1.26 -5.06 114.94 111.40 3h1i s ASN 97 Ca 0.08 0.06 -0.23 0.00 -0.94 0.00 0.00 52.86 51.83 3h1i s ASN 97 Cb 0.10 0.11 -0.06 0.00 -2.00 0.00 0.00 41.25 39.41 3h1i s ASN 97 CO 0.28 -0.16 1.67 1.55 -2.94 0.00 0.00 177.10 177.50 3h1i h PRO 98 N 2.08 -0.22 -1.09 3.55 0.13 -2.00 -2.08 132.00 132.37 3h1i h PRO 98 Ca -0.09 0.01 0.32 0.00 -0.87 0.00 0.00 66.00 65.37 3h1i h PRO 98 Cb 1.17 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3h1i h PRO 98 CO 0.23 -0.15 0.87 0.93 -0.23 0.00 0.00 178.00 179.65 3h1i h GLU 99 N -0.23 0.00 0.17 0.86 3.07 -2.00 0.24 114.58 116.70 3h1i h GLU 99 Ca 0.06 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.60 3h1i h GLU 99 Cb 0.31 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3h1i h GLU 99 CO -0.17 0.00 -1.57 0.00 -1.40 0.00 0.00 179.01 175.87 3h1i h ALA 100 N 1.29 0.12 -0.82 3.43 0.00 -1.80 -3.19 119.26 118.28 3h1i h ALA 100 Ca 0.52 -1.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3h1i h ALA 100 Cb 2.25 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 20.29 3h1i h ALA 100 CO -0.01 0.98 0.47 0.00 0.00 0.00 0.00 179.25 180.70 3h1i h ALA 101 N 0.30 1.28 -0.26 0.00 0.00 -0.23 -2.40 119.26 117.94 3h1i h ALA 101 Ca -0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3h1i h ALA 101 Cb 2.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3h1i h ALA 101 CO 0.20 0.60 0.13 0.00 0.00 0.00 0.00 179.25 180.17 3h1i h ARG 102 N 1.14 0.26 -0.79 0.00 3.08 -1.21 -2.25 114.38 114.61 3h1i h ARG 102 Ca 0.29 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.42 3h1i h ARG 102 Cb -0.01 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 3h1i h ARG 102 CO -0.05 0.17 0.52 0.00 -1.07 0.00 0.00 179.97 179.54 3h1i h ALA 103 N 1.14 1.74 -0.05 0.04 0.00 -1.42 0.14 119.26 120.84 3h1i h ALA 103 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h1i h ALA 103 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h1i h ALA 103 CO -0.08 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3h1i n ALA 104 N -2.44 2.59 -1.86 0.00 0.00 -0.88 -3.80 120.51 114.12 3h1i n ALA 104 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3h1i n ALA 104 Cb 0.30 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.50 3h1i n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1i n ASN 105 N -0.44 0.11 -1.52 0.00 3.02 -0.39 -5.03 115.26 111.01 3h1i n ASN 105 Ca 0.16 -1.96 -0.06 0.00 -0.03 0.00 0.00 54.58 52.70 3h1i n ASN 105 Cb 0.16 -0.19 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3h1i n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1i n ASN 106 N -0.06 -2.57 0.00 6.41 3.02 -0.73 -3.16 115.26 118.17 3h1i n ASN 106 Ca 0.01 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3h1i n ASN 106 Cb 0.68 -1.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 3h1i n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1i n GLY 107 N -0.98 0.56 3.79 7.41 0.00 0.34 -4.99 105.19 111.32 3h1i n GLY 107 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3h1i n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1i s ALA 108 N -2.52 3.57 -0.79 4.61 0.00 -1.19 -4.94 121.76 120.50 3h1i s ALA 108 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 3h1i s ALA 108 Cb 0.00 -2.60 0.20 0.00 0.00 0.00 0.00 23.12 20.71 3h1i s ALA 108 CO 0.00 0.29 0.65 -1.17 0.00 0.00 0.00 175.76 175.53 3h1i s LEU 109 N -0.58 5.44 -0.67 0.00 2.96 -1.26 -3.86 118.68 120.71 3h1i s LEU 109 Ca 0.28 -3.41 -0.26 0.00 -0.22 0.00 0.00 54.13 50.51 3h1i s LEU 109 Cb -0.18 -1.88 -0.13 0.00 0.50 0.00 0.00 46.19 44.50 3h1i s LEU 109 CO 0.16 -0.25 2.47 -0.81 -1.32 0.00 0.00 176.35 176.60 3h1i n PRO 110 N 2.74 0.68 -1.73 0.98 -0.04 -1.26 -4.89 135.00 131.49 3h1i n PRO 110 Ca 0.17 -0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 3h1i n PRO 110 Cb 0.37 -2.91 -0.01 0.00 -0.04 0.00 0.00 33.50 30.91 3h1i n PRO 110 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3h1i n PRO 111 N 8.69 2.40 -1.68 0.54 -0.04 -1.26 -4.62 135.00 139.03 3h1i n PRO 111 Ca 0.47 0.84 -0.46 0.00 -0.04 0.00 0.00 63.50 64.31 3h1i n PRO 111 Cb 0.39 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.29 3h1i n PRO 111 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h1i n ASP 112 N 1.06 3.60 -3.85 3.54 -0.08 -1.26 -4.65 116.55 114.92 3h1i n ASP 112 Ca 0.05 0.97 -0.42 0.00 -1.51 0.00 0.00 54.79 53.88 3h1i n ASP 112 Cb 0.37 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.41 3h1i n ASP 112 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3h1i n LEU 113 N 6.40 6.71 -0.02 -2.67 4.77 -0.45 -4.43 117.00 127.31 3h1i n LEU 113 Ca 0.21 -4.66 -0.06 0.00 -0.03 0.00 0.00 56.01 51.47 3h1i n LEU 113 Cb 0.32 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 39.92 3h1i n LEU 113 CO 0.71 1.41 -0.43 -1.20 -1.33 0.00 0.00 177.39 176.54 3h1i n SER 114 N 3.77 1.31 -1.64 -1.43 7.64 -1.26 -4.63 113.62 117.37 3h1i n SER 114 Ca 0.40 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.47 3h1i n SER 114 Cb 0.36 -0.47 0.29 0.00 -1.01 0.00 0.00 64.21 63.38 3h1i n SER 114 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3h1i n TYR 115 N -3.81 1.92 0.33 1.43 4.02 -1.26 -2.45 117.16 117.34 3h1i n TYR 115 Ca -0.10 -1.14 -0.18 0.00 -0.01 0.00 0.00 57.90 56.47 3h1i n TYR 115 Cb 0.32 -0.57 -0.10 0.00 -0.02 0.00 0.00 39.34 38.98 3h1i n TYR 115 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3h1i h ILE 116 N 2.38 0.00 -0.02 -0.72 6.09 -1.82 -1.58 117.51 121.85 3h1i h ILE 116 Ca 0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 3h1i h ILE 116 Cb 2.03 0.00 -0.00 0.00 0.47 0.00 0.00 36.82 39.32 3h1i h ILE 116 CO 0.56 0.00 0.57 -0.37 -3.07 0.00 0.00 178.15 175.84 3h1i h VAL 117 N -1.05 0.01 -0.02 2.19 -1.51 -1.86 0.84 116.25 114.86 3h1i h VAL 117 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 3h1i h VAL 117 Cb 0.89 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 3h1i h VAL 117 CO -0.01 0.00 -0.19 0.59 -1.23 0.00 0.00 177.57 176.72 3h1i n ASN 118 N -2.77 2.04 0.02 4.19 3.02 -0.72 -3.44 115.26 117.60 3h1i n ASN 118 Ca -0.01 -1.52 0.11 0.00 -0.03 0.00 0.00 54.58 53.13 3h1i n ASN 118 Cb 0.61 0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 39.95 3h1i n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1i n ALA 119 N 0.39 3.26 -2.43 5.41 0.00 0.29 -4.87 120.51 122.56 3h1i n ALA 119 Ca 0.09 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 3h1i n ALA 119 Cb 0.40 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 18.85 3h1i n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1i s ARG 120 N -3.32 1.99 1.16 0.00 1.81 -1.05 -5.09 118.95 114.45 3h1i s ARG 120 Ca -0.01 -1.02 -0.16 0.00 -1.72 0.00 0.00 55.73 52.82 3h1i s ARG 120 Cb 0.14 -2.13 0.27 0.00 -0.45 0.00 0.00 34.95 32.77 3h1i s ARG 120 CO 0.86 0.53 1.05 -1.01 -0.68 0.00 0.00 175.30 176.05 3h1i s HIS 121 N -0.91 1.13 0.00 -0.53 3.76 -1.26 -3.00 115.29 114.48 3h1i s HIS 121 Ca 0.14 0.85 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 3h1i s HIS 121 Cb -0.10 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.38 3h1i s HIS 121 CO 0.05 -3.73 0.00 0.41 -0.85 0.00 0.00 174.74 170.61 3h1i n GLY 122 N -0.19 0.63 7.00 -2.22 0.00 -1.26 -4.57 105.19 104.58 3h1i n GLY 122 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3h1i n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1i n GLY 123 N -1.06 2.19 0.44 -0.02 0.00 -1.16 -0.86 105.19 104.72 3h1i n GLY 123 Ca 0.00 -0.20 0.35 0.00 0.00 0.00 0.00 46.02 46.17 3h1i n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1i h GLU 124 N 0.00 0.11 0.00 1.61 9.09 -1.89 1.49 114.58 124.99 3h1i h GLU 124 Ca 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 3h1i h GLU 124 Cb 0.00 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.07 3h1i h GLU 124 CO 0.00 0.07 -0.07 -0.44 0.05 0.00 0.00 179.01 178.62 3h1i h ASP 125 N 0.12 0.00 0.00 3.06 3.45 -1.34 0.31 116.42 122.01 3h1i h ASP 125 Ca 0.80 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 58.15 3h1i h ASP 125 Cb 2.42 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 41.18 3h1i h ASP 125 CO -0.45 0.07 -1.17 0.00 -1.57 0.00 0.00 179.24 176.13 3h1i n TYR 126 N -3.35 0.40 -0.34 4.55 9.36 0.48 -3.62 117.16 124.64 3h1i n TYR 126 Ca -0.01 0.17 0.22 0.00 3.32 0.00 0.00 57.90 61.60 3h1i n TYR 126 Cb 0.24 -0.74 0.47 0.00 -0.63 0.00 0.00 39.34 38.68 3h1i n TYR 126 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3h1i h VAL 127 N -1.00 0.47 0.26 2.97 2.07 -0.80 0.98 116.25 121.20 3h1i h VAL 127 Ca -0.17 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3h1i h VAL 127 Cb 1.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3h1i h VAL 127 CO -0.10 0.08 -0.12 0.15 0.02 0.00 0.00 177.57 177.59 3h1i h PHE 128 N 0.43 -0.32 -0.97 1.57 3.57 -1.12 -2.70 116.94 117.40 3h1i h PHE 128 Ca 0.65 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 62.49 3h1i h PHE 128 Cb 1.50 0.11 -0.18 0.00 2.79 0.00 0.00 35.95 40.17 3h1i h PHE 128 CO -0.00 -0.20 0.31 0.43 -2.23 0.00 0.00 178.31 176.61 3h1i n SER 129 N -3.07 0.15 0.17 0.41 7.64 -0.42 -0.35 113.62 118.15 3h1i n SER 129 Ca -0.04 1.62 -0.14 0.00 1.01 0.00 0.00 58.87 61.32 3h1i n SER 129 Cb 0.14 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.55 3h1i n SER 129 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3h1i h LEU 130 N 0.00 -0.34 -1.34 -3.43 5.85 -0.83 1.30 115.31 116.53 3h1i h LEU 130 Ca 0.72 -0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.53 3h1i h LEU 130 Cb 1.77 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 3h1i h LEU 130 CO -0.82 -0.15 0.57 -0.07 -0.34 0.00 0.00 178.44 177.63 3h1i h LEU 131 N -0.51 0.60 0.00 2.25 3.38 -0.35 -3.18 115.31 117.50 3h1i h LEU 131 Ca -0.04 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3h1i h LEU 131 Cb 0.38 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3h1i h LEU 131 CO 0.07 0.30 -1.09 0.35 0.09 0.00 0.00 178.44 178.16 3h1i n THR 132 N -4.55 1.50 -0.25 0.22 -2.24 -0.81 -4.51 114.28 103.63 3h1i n THR 132 Ca 0.17 0.03 0.27 0.00 -2.27 0.00 0.00 64.05 62.25 3h1i n THR 132 Cb 0.50 -2.14 0.41 0.00 -2.10 0.00 0.00 70.33 67.00 3h1i n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1i n GLY 133 N 1.48 -0.65 2.71 3.38 0.00 0.45 -4.81 105.19 107.74 3h1i n GLY 133 Ca -0.26 0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3h1i n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h1i n TYR 134 N -2.99 -0.21 -3.84 1.61 0.53 -1.25 -4.74 117.16 106.28 3h1i n TYR 134 Ca 0.22 0.78 0.04 0.00 -1.02 0.00 0.00 57.90 57.93 3h1i n TYR 134 Cb 1.32 -1.57 0.01 0.00 -1.03 0.00 0.00 39.34 38.06 3h1i n TYR 134 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3h1i s ASP 136 N -3.55 6.45 0.66 0.00 1.01 -1.26 -4.46 116.67 115.51 3h1i s ASP 136 Ca 0.25 2.39 -0.16 0.00 0.71 0.00 0.00 52.55 55.73 3h1i s ASP 136 Cb 0.03 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3h1i s ASP 136 CO -0.04 -0.73 1.17 -2.16 0.21 0.00 0.00 175.17 173.62 3h1i s PRO 137 N -2.33 2.66 0.94 8.23 0.04 -1.26 -5.02 135.00 138.26 3h1i s PRO 137 Ca 0.58 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 3h1i s PRO 137 Cb -0.32 -1.91 0.21 0.00 0.04 0.00 0.00 34.50 32.53 3h1i s PRO 137 CO 0.40 -1.41 1.29 -0.35 0.04 0.00 0.00 177.00 176.96 3h1i n PRO 138 N -2.23 -1.08 -1.77 0.56 -0.04 -1.26 -4.93 135.00 124.25 3h1i n PRO 138 Ca 0.12 -2.23 -0.41 0.00 -0.04 0.00 0.00 63.50 60.94 3h1i n PRO 138 Cb 0.51 -1.25 -0.00 0.00 -0.04 0.00 0.00 33.50 32.71 3h1i n PRO 138 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1i n ALA 139 N -3.68 2.50 -0.42 0.55 0.00 -1.26 -2.31 120.51 115.89 3h1i n ALA 139 Ca -0.21 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3h1i n ALA 139 Cb 0.59 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3h1i n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1i n GLY 140 N 0.92 1.25 3.44 0.00 0.00 -1.26 -5.02 105.19 104.52 3h1i n GLY 140 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3h1i n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1i s VAL 141 N -3.09 4.77 -0.39 1.61 1.01 -0.98 -5.05 120.40 118.28 3h1i s VAL 141 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 3h1i s VAL 141 Cb 0.00 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.91 3h1i s VAL 141 CO 0.00 -0.08 0.21 0.68 0.00 0.00 0.00 175.10 175.91 3h1i s VAL 142 N 1.62 4.14 -0.48 2.92 -7.23 -1.26 -4.76 120.40 115.35 3h1i s VAL 142 Ca 0.04 -1.27 -0.26 0.00 -1.81 0.00 0.00 61.98 58.68 3h1i s VAL 142 Cb -0.18 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.33 3h1i s VAL 142 CO 0.07 -0.38 1.00 -0.69 -0.31 0.00 0.00 175.10 174.79 3h1i s VAL 143 N 1.43 4.37 0.20 1.32 1.01 -1.26 -4.98 120.40 122.49 3h1i s VAL 143 Ca 0.02 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 3h1i s VAL 143 Cb -0.21 -4.51 -0.12 0.00 0.00 0.00 0.00 36.38 31.54 3h1i s VAL 143 CO 0.03 -0.94 0.27 -1.14 0.00 0.00 0.00 175.10 173.32 3h1i n ARG 144 N 7.45 0.00 -1.54 2.72 0.63 -1.26 -4.74 116.66 119.92 3h1i n ARG 144 Ca 0.07 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.57 3h1i n ARG 144 Cb 0.49 -0.75 -0.00 0.00 0.45 0.00 0.00 32.46 32.64 3h1i n ARG 144 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3h1i n GLU 145 N 0.84 1.02 0.00 -0.14 2.13 -1.26 -2.17 120.64 121.06 3h1i n GLU 145 Ca 0.12 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.30 3h1i n GLU 145 Cb 0.23 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3h1i n GLU 145 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1i n GLY 146 N 1.43 2.76 4.00 8.31 0.00 -1.26 -5.01 105.19 115.43 3h1i n GLY 146 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3h1i n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1i s LEU 147 N 0.00 2.98 0.00 0.99 1.43 -0.92 -4.89 118.68 118.28 3h1i s LEU 147 Ca 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 3h1i s LEU 147 Cb 0.00 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 3h1i s LEU 147 CO 0.00 -1.30 -0.01 -1.00 0.23 0.00 0.00 176.35 174.26 3h1i s HIS 148 N -2.70 0.12 0.38 0.29 3.76 -0.39 -4.93 115.29 111.83 3h1i s HIS 148 Ca 0.55 -0.12 -0.25 0.00 -0.15 0.00 0.00 55.06 55.09 3h1i s HIS 148 Cb -0.05 -0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.47 3h1i s HIS 148 CO 0.35 -0.04 1.10 -0.47 -0.85 0.00 0.00 174.74 174.83 3h1i s TYR 149 N -0.32 3.23 -0.29 1.40 5.04 -1.26 -1.16 117.35 123.99 3h1i s TYR 149 Ca -0.03 1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 56.20 3h1i s TYR 149 Cb -0.02 -3.25 0.19 0.00 0.35 0.00 0.00 41.96 39.22 3h1i s TYR 149 CO -0.00 -0.89 0.77 1.21 -1.34 0.00 0.00 175.55 175.30 3h1i s ASN 150 N -1.30 -1.12 0.48 4.32 3.84 0.74 -3.85 114.94 118.06 3h1i s ASN 150 Ca 0.56 0.27 0.22 0.00 0.21 0.00 0.00 52.86 54.11 3h1i s ASN 150 Cb -0.27 1.77 1.25 0.00 -0.55 0.00 0.00 41.25 43.44 3h1i s ASN 150 CO 0.34 -0.21 1.94 1.55 -2.79 0.00 0.00 177.10 177.93 3h1i h PRO 151 N 7.79 0.19 -0.01 0.43 0.13 -1.85 -2.13 132.00 136.55 3h1i h PRO 151 Ca -0.08 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 3h1i h PRO 151 Cb 1.18 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3h1i h PRO 151 CO 0.07 0.13 -0.44 1.88 -0.23 0.00 0.00 178.00 179.41 3h1i h TYR 152 N 0.20 0.03 -3.63 1.56 0.05 -1.91 -3.35 116.97 109.92 3h1i h TYR 152 Ca 0.34 -0.01 -0.51 0.00 0.05 0.00 0.00 58.73 58.60 3h1i h TYR 152 Cb 1.04 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 3h1i h TYR 152 CO -0.00 0.46 0.29 0.12 -1.05 0.00 0.00 178.16 177.99 3h1i s PHE 153 N -4.04 3.92 -0.04 4.88 5.36 -0.80 -4.76 117.98 122.50 3h1i s PHE 153 Ca -0.03 1.79 -0.30 0.00 -0.96 0.00 0.00 56.93 57.44 3h1i s PHE 153 Cb 0.14 -2.93 -0.05 0.00 -0.34 0.00 0.00 43.02 39.84 3h1i s PHE 153 CO 0.74 0.41 1.51 -1.25 -1.46 0.00 0.00 175.22 175.18 3h1i s PRO 154 N -0.86 4.23 0.00 10.12 0.04 -1.26 -0.42 135.00 146.84 3h1i s PRO 154 Ca 0.41 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3h1i s PRO 154 Cb -0.24 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.53 3h1i s PRO 154 CO 0.29 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 177.02 3h1i n GLY 155 N 3.87 2.78 4.84 0.56 0.00 -1.26 -4.61 105.19 111.37 3h1i n GLY 155 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h1i n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1i n GLN 156 N -0.95 0.00 -3.54 1.61 3.00 0.44 -4.83 117.38 113.11 3h1i n GLN 156 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3h1i n GLN 156 Cb 0.00 -3.69 -0.08 0.00 0.00 0.00 0.00 30.24 26.47 3h1i n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1i s ALA 157 N -0.98 3.49 0.57 -1.58 0.00 -1.26 -0.18 121.76 121.82 3h1i s ALA 157 Ca 0.00 -2.70 0.03 0.00 0.00 0.00 0.00 51.96 49.29 3h1i s ALA 157 Cb 0.00 -2.89 0.06 0.00 0.00 0.00 0.00 23.12 20.29 3h1i s ALA 157 CO 0.00 -1.97 0.80 -1.50 0.00 0.00 0.00 175.76 173.09 3h1i s ILE 158 N 1.10 2.52 -0.41 0.00 2.07 -0.31 -4.85 121.20 121.31 3h1i s ILE 158 Ca 0.08 -0.75 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 3h1i s ILE 158 Cb -0.24 -2.78 0.06 0.00 0.13 0.00 0.00 42.46 39.63 3h1i s ILE 158 CO -0.02 0.00 0.81 0.61 -1.91 0.00 0.00 174.94 174.43 3h1i n GLY 159 N -2.37 0.52 3.54 1.50 0.00 -1.26 -1.26 105.19 105.87 3h1i n GLY 159 Ca 0.11 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3h1i n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1i s MET 160 N -0.59 3.81 0.23 1.61 0.00 -1.26 -4.92 119.30 118.17 3h1i s MET 160 Ca 0.06 -0.42 -0.30 0.00 0.00 0.00 0.00 55.69 55.03 3h1i s MET 160 Cb 0.04 -3.24 -0.09 0.00 0.00 0.00 0.00 34.83 31.54 3h1i s MET 160 CO 0.05 0.07 0.94 0.00 0.00 0.00 0.00 175.02 176.07 3h1i s ALA 161 N 0.92 3.34 -0.51 4.11 0.00 -1.26 -4.80 121.76 123.56 3h1i s ALA 161 Ca 0.03 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 3h1i s ALA 161 Cb -0.14 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 3h1i s ALA 161 CO 0.03 0.20 1.67 -2.30 0.00 0.00 0.00 175.76 175.36 3h1i n PRO 162 N 1.57 0.00 0.23 0.00 -0.02 -1.26 -4.75 135.00 130.76 3h1i n PRO 162 Ca -0.02 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.57 3h1i n PRO 162 Cb 0.47 -1.04 0.39 0.00 -0.02 0.00 0.00 33.50 33.30 3h1i n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1i h PRO 163 N 7.24 0.00 -5.57 0.52 0.13 -1.90 -3.45 132.00 128.98 3h1i h PRO 163 Ca -0.05 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.55 3h1i h PRO 163 Cb 0.95 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.79 3h1i h PRO 163 CO 0.86 0.15 -0.83 0.96 -0.23 0.00 0.00 178.00 178.91 3h1i s ILE 164 N -3.45 1.31 -0.06 -3.56 -4.36 -1.26 -5.00 121.20 104.81 3h1i s ILE 164 Ca 0.03 -0.77 -0.06 0.00 -0.26 0.00 0.00 60.65 59.59 3h1i s ILE 164 Cb 0.08 -1.10 0.01 0.00 1.25 0.00 0.00 42.46 42.71 3h1i s ILE 164 CO 0.63 0.32 0.17 -0.72 0.24 0.00 0.00 174.94 175.58 3h1i s TYR 165 N -0.46 -0.16 0.01 1.37 1.13 -1.26 -5.02 117.35 112.96 3h1i s TYR 165 Ca 0.06 0.39 -0.07 0.00 -1.41 0.00 0.00 57.07 56.04 3h1i s TYR 165 Cb -0.07 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.81 3h1i s TYR 165 CO -0.00 -0.12 0.18 0.09 -2.51 0.00 0.00 175.55 173.19 3h1i n ASN 166 N 2.78 -0.07 0.00 -0.18 3.02 -1.26 -0.68 115.26 118.87 3h1i n ASN 166 Ca -0.14 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3h1i n ASN 166 Cb 0.58 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3h1i n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1i n GLU 167 N 0.26 -1.84 0.00 3.52 1.02 0.16 -4.78 120.64 118.99 3h1i n GLU 167 Ca 0.04 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3h1i n GLU 167 Cb 0.02 -4.72 0.00 0.00 -0.02 0.00 0.00 31.44 26.72 3h1i n GLU 167 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3h1i n ILE 168 N -1.81 0.41 -3.10 -3.67 3.06 0.14 -4.48 119.36 109.92 3h1i n ILE 168 Ca 0.00 0.25 0.00 0.00 -2.50 0.00 0.00 62.75 60.50 3h1i n ILE 168 Cb 0.42 -1.25 0.00 0.00 0.54 0.00 0.00 39.64 39.34 3h1i n ILE 168 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3h1i n LEU 169 N -0.96 0.00 -3.44 9.51 -0.00 -1.26 -5.05 117.00 115.80 3h1i n LEU 169 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 3h1i n LEU 169 Cb 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 3h1i n LEU 169 CO 0.00 0.00 -0.23 -1.61 -0.00 0.00 0.00 177.39 175.55 3h1i s GLU 170 N -1.98 0.34 0.15 1.47 2.02 -1.26 -4.85 118.70 114.58 3h1i s GLU 170 Ca 0.00 -0.45 -0.33 0.00 0.02 0.00 0.00 54.97 54.22 3h1i s GLU 170 Cb 0.00 -0.87 -0.12 0.00 0.10 0.00 0.00 34.13 33.24 3h1i s GLU 170 CO 0.00 -1.06 1.71 0.66 0.02 0.00 0.00 175.26 176.59 3h1i n TYR 171 N 5.05 2.51 1.02 1.61 4.02 -1.26 -4.81 117.16 125.31 3h1i n TYR 171 Ca -0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3h1i n TYR 171 Cb 0.44 -2.64 0.00 0.00 -0.02 0.00 0.00 39.34 37.12 3h1i n TYR 171 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3h1i n ASP 172 N 4.39 0.15 -0.59 7.72 5.68 -1.26 -2.03 116.55 130.60 3h1i n ASP 172 Ca 0.17 -1.17 0.08 0.00 -0.50 0.00 0.00 54.79 53.38 3h1i n ASP 172 Cb 0.33 -0.07 0.05 0.00 -1.14 0.00 0.00 41.12 40.28 3h1i n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1i n ASP 173 N -0.32 2.19 0.00 -1.12 5.75 -1.26 -4.97 116.55 116.82 3h1i n ASP 173 Ca 0.00 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 3h1i n ASP 173 Cb 0.04 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3h1i n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1i n GLY 174 N 1.03 0.87 3.77 6.12 0.00 -0.86 -5.06 105.19 111.06 3h1i n GLY 174 Ca 0.09 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3h1i n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1i s THR 175 N -2.00 4.99 -0.78 2.61 2.01 -1.25 -4.97 115.64 116.25 3h1i s THR 175 Ca 0.00 1.08 -0.23 0.00 0.31 0.00 0.00 61.69 62.85 3h1i s THR 175 Cb 0.00 -3.85 -0.17 0.00 0.01 0.00 0.00 72.50 68.49 3h1i s THR 175 CO 0.00 0.44 2.40 -2.65 -0.69 0.00 0.00 174.62 174.12 3h1i n PRO 176 N 2.69 0.50 -0.10 4.92 -0.02 -1.26 -4.44 135.00 137.30 3h1i n PRO 176 Ca -0.09 -0.35 -0.01 0.00 -2.02 0.00 0.00 63.50 61.04 3h1i n PRO 176 Cb 0.51 -2.82 -0.01 0.00 -0.02 0.00 0.00 33.50 31.17 3h1i n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1i n ALA 177 N 14.33 1.82 -1.25 3.55 0.00 -1.26 -4.76 120.51 132.94 3h1i n ALA 177 Ca 0.51 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 3h1i n ALA 177 Cb 0.35 -2.02 0.11 0.00 0.00 0.00 0.00 19.45 17.89 3h1i n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h1i s THR 178 N 2.13 3.10 0.04 0.00 -4.23 -1.26 0.39 115.64 115.81 3h1i s THR 178 Ca 0.04 0.36 -0.21 0.00 -1.18 0.00 0.00 61.69 60.70 3h1i s THR 178 Cb 0.02 -2.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.90 3h1i s THR 178 CO 0.00 -0.47 1.32 -0.03 -0.54 0.00 0.00 174.62 174.90 3h1i h MET 179 N -1.27 -0.65 -0.53 3.99 4.05 -1.89 -1.90 114.93 116.73 3h1i h MET 179 Ca -0.46 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.16 3h1i h MET 179 Cb 1.25 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 32.18 3h1i h MET 179 CO 0.53 -0.43 0.49 0.66 0.23 0.00 0.00 176.91 178.39 3h1i h SER 180 N -0.67 0.00 0.72 1.39 4.64 -1.97 0.60 113.55 118.26 3h1i h SER 180 Ca -0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 3h1i h SER 180 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 3h1i h SER 180 CO 0.05 0.00 -0.59 -0.61 -0.87 0.00 0.00 176.83 174.81 3h1i h GLN 181 N 0.00 0.00 0.00 4.77 5.75 -1.73 -1.82 115.11 122.08 3h1i h GLN 181 Ca 0.25 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3h1i h GLN 181 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 3h1i h GLN 181 CO -0.00 0.59 0.00 -0.89 -2.65 0.00 0.00 178.83 175.88 3h1i n ILE 182 N -3.69 0.00 0.33 2.39 5.41 0.20 -2.48 119.36 121.51 3h1i n ILE 182 Ca -0.01 0.72 0.02 0.00 1.00 0.00 0.00 62.75 64.47 3h1i n ILE 182 Cb 0.62 -1.63 0.08 0.00 -0.71 0.00 0.00 39.64 37.99 3h1i n ILE 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1i h ALA 183 N -2.00 1.95 0.00 -1.39 0.00 -1.34 1.24 119.26 117.72 3h1i h ALA 183 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h1i h ALA 183 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h1i h ALA 183 CO 0.00 -0.95 -0.01 -0.22 0.00 0.00 0.00 179.25 178.07 3h1i h LYS 184 N 0.00 0.00 -0.56 0.00 3.11 -1.37 -3.07 116.57 114.67 3h1i h LYS 184 Ca 0.00 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.95 3h1i h LYS 184 Cb 1.89 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 33.03 3h1i h LYS 184 CO -0.00 0.00 0.08 -0.44 -2.81 0.00 0.00 179.45 176.28 3h1i h ASP 185 N -0.92 -0.07 0.33 4.20 3.32 0.18 0.53 116.42 123.99 3h1i h ASP 185 Ca 0.00 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3h1i h ASP 185 Cb 0.01 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3h1i h ASP 185 CO 0.00 -0.02 -0.27 1.62 -1.72 0.00 0.00 179.24 178.85 3h1i h VAL 186 N 0.21 1.09 -0.00 -1.35 3.04 -1.22 -0.62 116.25 117.40 3h1i h VAL 186 Ca 0.29 -0.96 -0.13 0.00 -1.01 0.00 0.00 66.70 64.89 3h1i h VAL 186 Cb 0.43 1.53 0.01 0.00 -2.01 0.00 0.00 31.29 31.25 3h1i h VAL 186 CO -0.40 0.27 -0.49 0.00 -1.01 0.00 0.00 177.57 175.93 3h1i h THR 188 N -0.23 0.87 0.47 0.00 2.02 -0.59 -2.25 112.91 113.19 3h1i h THR 188 Ca -0.06 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3h1i h THR 188 Cb 1.22 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3h1i h THR 188 CO 0.10 0.05 -0.23 0.15 0.37 0.00 0.00 175.52 175.96 3h1i h PHE 189 N 0.26 -0.59 0.00 3.16 3.57 -0.97 -3.17 116.94 119.20 3h1i h PHE 189 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3h1i h PHE 189 Cb 0.60 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3h1i h PHE 189 CO -0.00 -0.36 0.65 -0.07 -2.23 0.00 0.00 178.31 176.30 3h1i h LEU 190 N -1.14 0.00 0.00 0.59 3.38 -0.44 0.74 115.31 118.44 3h1i h LEU 190 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h1i h LEU 190 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3h1i h LEU 190 CO 0.11 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.50 3h1i n ARG 191 N -2.10 0.00 -0.16 1.13 3.00 -1.01 -3.07 116.66 114.45 3h1i n ARG 191 Ca -0.00 0.36 -0.04 0.00 -0.00 0.00 0.00 57.85 58.16 3h1i n ARG 191 Cb 0.66 -0.85 -0.04 0.00 0.00 0.00 0.00 32.46 32.23 3h1i n ARG 191 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 3h1i n TRP 192 N -1.72 -0.17 -0.36 -0.14 -0.00 0.15 0.16 117.44 115.37 3h1i n TRP 192 Ca 0.00 0.48 0.28 0.00 -0.00 0.00 0.00 57.50 58.26 3h1i n TRP 192 Cb 0.00 -0.46 0.58 0.00 -0.00 0.00 0.00 31.31 31.42 3h1i n TRP 192 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3h1i h ALA 193 N 0.02 2.48 0.00 5.87 0.00 -1.44 0.89 119.26 127.08 3h1i h ALA 193 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h1i h ALA 193 Cb 0.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h1i h ALA 193 CO -0.36 -0.94 0.00 0.00 0.00 0.00 0.00 179.25 177.95 3h1i n ALA 194 N -2.52 2.27 -2.68 0.00 0.00 0.42 -4.55 120.51 113.44 3h1i n ALA 194 Ca 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 3h1i n ALA 194 Cb 1.08 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 19.13 3h1i n ALA 194 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3h1i n GLU 195 N -1.77 0.23 -0.29 0.00 0.28 0.28 -4.86 120.64 114.50 3h1i n GLU 195 Ca 0.06 -0.92 0.12 0.00 -0.16 0.00 0.00 57.16 56.27 3h1i n GLU 195 Cb 0.36 -0.38 0.28 0.00 1.43 0.00 0.00 31.44 33.12 3h1i n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3h1i h PRO 196 N 3.58 0.19 -0.83 3.44 0.11 -0.87 -1.20 132.00 136.41 3h1i h PRO 196 Ca -0.16 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.14 3h1i h PRO 196 Cb 1.17 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.09 3h1i h PRO 196 CO -0.09 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 178.88 3h1i h GLU 197 N 0.20 0.08 0.00 1.05 9.09 -1.96 -3.36 114.58 119.67 3h1i h GLU 197 Ca 0.54 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 3h1i h GLU 197 Cb 1.07 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 3h1i h GLU 197 CO -0.66 0.05 0.00 1.58 0.05 0.00 0.00 179.01 180.03 3h1i n HIS 198 N -5.39 0.00 -0.02 2.06 -0.00 -0.46 -0.59 115.22 110.82 3h1i n HIS 198 Ca 0.16 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.27 3h1i n HIS 198 Cb 0.55 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.37 3h1i n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3h1i h ASP 199 N 0.00 -0.82 -1.00 0.26 5.19 -1.87 -1.11 116.42 117.07 3h1i h ASP 199 Ca 0.00 0.10 0.15 0.00 -0.62 0.00 0.00 57.03 56.66 3h1i h ASP 199 Cb 0.00 0.32 -0.09 0.00 0.18 0.00 0.00 39.33 39.74 3h1i h ASP 199 CO 0.00 -0.21 0.62 -0.61 -3.12 0.00 0.00 179.24 175.92 3h1i h GLN 200 N -0.25 0.86 -0.63 3.56 4.15 -1.16 0.28 115.11 121.92 3h1i h GLN 200 Ca 0.02 -0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.51 3h1i h GLN 200 Cb 0.30 -0.19 -0.09 0.00 0.21 0.00 0.00 27.48 27.70 3h1i h GLN 200 CO -0.22 0.57 0.12 -0.09 -1.93 0.00 0.00 178.83 177.27 3h1i h ARG 201 N 0.89 0.23 0.01 1.69 2.43 -1.19 0.16 114.38 118.60 3h1i h ARG 201 Ca 0.53 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.42 3h1i h ARG 201 Cb 0.68 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3h1i h ARG 201 CO -0.31 0.15 -1.05 0.87 -1.51 0.00 0.00 179.97 178.12 3h1i h LYS 202 N 0.24 0.64 -0.52 0.20 1.57 0.42 -1.52 116.57 117.60 3h1i h LYS 202 Ca 0.34 -0.71 0.05 0.00 -1.87 0.00 0.00 60.65 58.46 3h1i h LYS 202 Cb 0.53 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 3h1i h LYS 202 CO -0.45 1.29 0.27 -0.09 -0.57 0.00 0.00 179.45 179.90 3h1i h ARG 203 N 0.35 0.50 0.82 3.15 2.43 0.19 0.13 114.38 121.96 3h1i h ARG 203 Ca -0.13 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3h1i h ARG 203 Cb 1.70 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.15 3h1i h ARG 203 CO 0.20 0.33 -0.40 0.52 -1.51 0.00 0.00 179.97 179.12 3h1i h MET 204 N 0.52 -1.06 -0.86 0.20 2.86 -0.73 -1.89 114.93 113.96 3h1i h MET 204 Ca 0.23 0.07 0.34 0.00 -2.06 0.00 0.00 59.70 58.29 3h1i h MET 204 Cb 0.13 0.24 -0.14 0.00 0.06 0.00 0.00 31.60 31.90 3h1i h MET 204 CO -0.16 -0.70 0.48 0.41 1.06 0.00 0.00 176.91 178.01 3h1i n GLY 205 N -1.39 -0.61 0.00 8.32 0.00 -0.57 0.02 105.19 110.96 3h1i n GLY 205 Ca -0.15 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3h1i n GLY 205 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h1i n LEU 206 N -4.69 0.28 -0.29 0.99 7.94 -0.04 -1.39 117.00 119.80 3h1i n LEU 206 Ca 0.31 0.68 0.02 0.00 -1.11 0.00 0.00 56.01 55.91 3h1i n LEU 206 Cb 1.07 -0.30 0.08 0.00 0.53 0.00 0.00 43.42 44.80 3h1i n LEU 206 CO 0.04 -0.30 0.49 0.29 -1.11 0.00 0.00 177.39 176.80 3h1i n LYS 207 N -1.40 -0.12 -0.14 1.96 5.02 0.10 0.12 118.16 123.71 3h1i n LYS 207 Ca 0.00 1.22 -0.04 0.00 -2.02 0.00 0.00 58.31 57.48 3h1i n LYS 207 Cb 0.00 -1.82 0.03 0.00 -0.02 0.00 0.00 35.03 33.21 3h1i n LYS 207 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3h1i h MET 208 N 0.00 -0.01 -0.54 1.97 4.05 -0.46 0.43 114.93 120.37 3h1i h MET 208 Ca 0.33 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.75 3h1i h MET 208 Cb 0.53 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 3h1i h MET 208 CO -0.80 -0.01 0.33 -0.07 0.23 0.00 0.00 176.91 176.59 3h1i h LEU 209 N -0.01 0.65 -0.18 3.39 3.38 0.22 -0.01 115.31 122.74 3h1i h LEU 209 Ca 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3h1i h LEU 209 Cb 0.35 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3h1i h LEU 209 CO -0.47 0.52 0.10 -0.07 0.09 0.00 0.00 178.44 178.61 3h1i h LEU 210 N 0.73 0.23 -0.45 1.67 3.38 -0.02 0.15 115.31 121.00 3h1i h LEU 210 Ca 0.19 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3h1i h LEU 210 Cb -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3h1i h LEU 210 CO -0.04 0.24 0.12 0.40 0.09 0.00 0.00 178.44 179.25 3h1i h ILE 211 N 0.20 1.23 0.00 1.22 1.08 -0.93 -2.28 117.51 118.03 3h1i h ILE 211 Ca 0.06 -0.80 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 3h1i h ILE 211 Cb 0.06 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3h1i h ILE 211 CO -0.01 0.28 -0.12 -1.28 -0.69 0.00 0.00 178.15 176.34 3h1i h SER 212 N 0.59 0.00 0.24 1.72 0.87 -0.68 0.31 113.55 116.60 3h1i h SER 212 Ca 0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3h1i h SER 212 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3h1i h SER 212 CO 0.00 0.12 -0.12 0.00 -0.53 0.00 0.00 176.83 176.30 3h1i h ALA 213 N 1.88 -0.33 0.47 6.23 0.00 -0.27 -2.38 119.26 124.87 3h1i h ALA 213 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3h1i h ALA 213 Cb 0.25 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h1i h ALA 213 CO 0.02 -0.44 -0.33 1.25 0.00 0.00 0.00 179.25 179.75 3h1i h LEU 214 N -0.82 -0.84 -0.18 0.00 5.85 -0.96 -1.97 115.31 116.40 3h1i h LEU 214 Ca -0.03 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3h1i h LEU 214 Cb 0.51 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3h1i h LEU 214 CO 0.05 -0.50 0.05 0.25 -0.34 0.00 0.00 178.44 177.95 3h1i h LEU 215 N -0.78 0.04 0.02 2.25 5.85 -0.53 0.29 115.31 122.45 3h1i h LEU 215 Ca -0.05 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3h1i h LEU 215 Cb 0.65 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3h1i h LEU 215 CO 0.03 0.05 -0.20 0.74 -0.34 0.00 0.00 178.44 178.72 3h1i h THR 216 N 0.13 0.54 0.30 1.05 2.02 -1.43 -1.06 112.91 114.45 3h1i h THR 216 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 3h1i h THR 216 Cb 0.06 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3h1i h THR 216 CO -0.09 0.00 -0.48 0.28 0.37 0.00 0.00 175.52 175.60 3h1i h SER 217 N -0.33 -1.38 -0.88 4.18 0.02 -0.95 -1.20 113.55 113.01 3h1i h SER 217 Ca 0.05 0.13 0.13 0.00 -0.84 0.00 0.00 61.79 61.26 3h1i h SER 217 Cb 0.39 0.48 -0.14 0.00 0.14 0.00 0.00 62.40 63.27 3h1i h SER 217 CO -0.17 -0.57 -0.42 -0.07 -1.14 0.00 0.00 176.83 174.47 3h1i h LEU 218 N -0.82 -1.51 -1.58 5.07 3.38 -0.14 0.11 115.31 119.82 3h1i h LEU 218 Ca -0.03 0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3h1i h LEU 218 Cb 0.76 0.75 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3h1i h LEU 218 CO -0.16 -0.29 0.14 -0.07 0.09 0.00 0.00 178.44 178.15 3h1i h LEU 219 N -0.05 0.37 -0.52 1.67 3.38 -0.79 -2.31 115.31 117.06 3h1i h LEU 219 Ca 0.28 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.30 3h1i h LEU 219 Cb 0.56 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3h1i h LEU 219 CO -0.90 0.32 0.20 0.22 0.09 0.00 0.00 178.44 178.38 3h1i h TYR 220 N 0.42 0.35 0.17 1.13 5.03 0.45 0.35 116.97 124.87 3h1i h TYR 220 Ca 0.11 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 3h1i h TYR 220 Cb 0.06 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 3h1i h TYR 220 CO 0.00 0.12 -0.27 -0.92 -1.32 0.00 0.00 178.16 175.77 3h1i h TYR 221 N 0.39 -0.77 -1.04 -3.82 3.20 -1.21 -1.00 116.97 112.72 3h1i h TYR 221 Ca 0.25 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.40 3h1i h TYR 221 Cb 0.26 0.31 -0.10 0.00 1.54 0.00 0.00 36.73 38.74 3h1i h TYR 221 CO -0.15 -0.33 0.66 0.52 -1.64 0.00 0.00 178.16 177.21 3h1i h MET 222 N -0.47 0.42 -0.53 1.82 2.86 -1.16 0.95 114.93 118.82 3h1i h MET 222 Ca -0.02 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3h1i h MET 222 Cb 0.43 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3h1i h MET 222 CO -0.09 0.28 -0.07 -0.22 1.06 0.00 0.00 176.91 177.87 3h1i h LYS 223 N 0.43 0.95 -0.02 1.72 3.11 0.34 -2.35 116.57 120.75 3h1i h LYS 223 Ca 0.62 -0.31 -0.04 0.00 -2.81 0.00 0.00 60.65 58.10 3h1i h LYS 223 Cb 1.48 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.64 3h1i h LYS 223 CO -0.35 0.97 -0.15 0.00 -2.81 0.00 0.00 179.45 177.11 3h1i h ARG 224 N 0.86 0.13 -0.62 1.90 2.47 0.12 -2.24 114.38 117.00 3h1i h ARG 224 Ca 0.15 -0.12 0.08 0.00 -1.26 0.00 0.00 59.98 58.83 3h1i h ARG 224 Cb 0.59 0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.84 3h1i h ARG 224 CO 0.04 0.81 -0.48 1.25 0.56 0.00 0.00 179.97 182.15 3h1i h HIS 225 N -0.50 -1.45 -0.24 3.04 2.76 0.70 1.76 115.15 121.21 3h1i h HIS 225 Ca -0.01 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3h1i h HIS 225 Cb 0.85 0.72 -0.01 0.00 1.55 0.00 0.00 27.41 30.52 3h1i h HIS 225 CO 0.16 -0.43 0.15 0.87 -1.30 0.00 0.00 177.93 177.38 3h1i h LYS 226 N -0.22 0.33 0.00 5.26 1.79 -1.50 -2.69 116.57 119.53 3h1i h LYS 226 Ca 0.16 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3h1i h LYS 226 Cb 0.55 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3h1i h LYS 226 CO -0.72 0.24 -0.25 -1.49 -1.08 0.00 0.00 179.45 176.15 3h1i h TRP 227 N 0.32 0.00 -0.76 -1.35 4.06 -0.37 -3.18 115.95 114.67 3h1i h TRP 227 Ca 0.09 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.15 3h1i h TRP 227 Cb -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.03 3h1i h TRP 227 CO -0.05 0.25 -0.31 -1.13 -3.56 0.00 0.00 178.44 173.64 3h1i n SER 228 N -3.65 -0.52 -0.31 -3.49 3.41 0.58 0.19 113.62 109.82 3h1i n SER 228 Ca -0.01 1.33 0.13 0.00 -0.26 0.00 0.00 58.87 60.05 3h1i n SER 228 Cb 0.38 -0.29 0.25 0.00 -0.26 0.00 0.00 64.21 64.28 3h1i n SER 228 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h1i n VAL 229 N -5.10 -0.38 0.12 -3.33 0.31 -1.20 0.90 118.33 109.66 3h1i n VAL 229 Ca 0.07 1.98 0.06 0.00 -0.01 0.00 0.00 64.34 66.44 3h1i n VAL 229 Cb 0.29 -2.88 0.03 0.00 -0.91 0.00 0.00 33.84 30.37 3h1i n VAL 229 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h1i h LEU 230 N 0.00 0.00 0.09 7.52 3.38 0.18 -3.14 115.31 123.33 3h1i h LEU 230 Ca 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.50 3h1i h LEU 230 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3h1i h LEU 230 CO -0.85 0.29 -0.04 0.11 0.09 0.00 0.00 178.44 178.04 3h1i h LYS 231 N 0.00 -0.11 0.00 1.13 1.79 0.23 -3.31 116.57 116.30 3h1i h LYS 231 Ca -0.04 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 3h1i h LYS 231 Cb 1.26 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 3h1i h LYS 231 CO 0.03 0.42 -0.17 0.66 -1.08 0.00 0.00 179.45 179.32 3h1i h SER 232 N -0.85 0.00 -1.10 0.86 4.64 -1.20 -3.47 113.55 112.44 3h1i h SER 232 Ca -0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3h1i h SER 232 Cb 0.59 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.79 3h1i h SER 232 CO 0.02 0.17 -0.61 -1.14 -0.87 0.00 0.00 176.83 174.40 3h1i n ARG 233 N -3.68 0.00 -3.93 4.77 0.63 -1.19 -5.02 116.66 108.24 3h1i n ARG 233 Ca -0.02 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.80 3h1i n ARG 233 Cb 0.29 -0.82 -0.13 0.00 0.45 0.00 0.00 32.46 32.25 3h1i n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1i s LYS 234 N -0.82 0.16 0.11 -0.14 1.02 -1.26 -5.08 119.74 113.72 3h1i s LYS 234 Ca 0.51 -0.25 -0.07 0.00 0.02 0.00 0.00 55.97 56.18 3h1i s LYS 234 Cb -0.65 -0.00 -0.01 0.00 -0.52 0.00 0.00 37.83 36.65 3h1i s LYS 234 CO 0.49 -0.01 0.16 0.00 -0.92 0.00 0.00 175.35 175.07 3h1i s MET 235 N -0.58 0.89 -0.11 1.68 0.23 -1.26 -5.18 119.30 114.98 3h1i s MET 235 Ca -0.06 -1.10 -0.23 0.00 -1.03 0.00 0.00 55.69 53.27 3h1i s MET 235 Cb -0.04 0.32 0.05 0.00 -1.53 0.00 0.00 34.83 33.63 3h1i s MET 235 CO -0.00 -0.28 0.55 0.00 -2.03 0.00 0.00 175.02 173.25 3h1i s ALA 236 N -3.92 -1.39 -0.41 3.16 0.00 -1.26 -5.14 121.76 112.81 3h1i s ALA 236 Ca 0.10 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 3h1i s ALA 236 Cb 0.05 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3h1i s ALA 236 CO -0.07 -0.30 0.48 -0.47 0.00 0.00 0.00 175.76 175.40 3h1i s TYR 237 N -0.62 3.15 -0.73 0.00 5.04 -1.26 -5.00 117.35 117.94 3h1i s TYR 237 Ca -0.07 -0.19 0.04 0.00 -2.44 0.00 0.00 57.07 54.40 3h1i s TYR 237 Cb -0.03 -2.96 0.20 0.00 0.35 0.00 0.00 41.96 39.52 3h1i s TYR 237 CO 0.05 -0.68 0.63 0.54 -1.34 0.00 0.00 175.55 174.75 3h1i n ARG 238 N 5.73 2.21 -0.60 4.97 1.74 -1.26 -5.09 116.66 124.36 3h1i n ARG 238 Ca -0.06 -4.55 -0.30 0.00 -0.77 0.00 0.00 57.85 52.17 3h1i n ARG 238 Cb 0.48 -2.31 0.20 0.00 -1.02 0.00 0.00 32.46 29.82 3h1i n ARG 238 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3h1i n PRO 239 N 1.68 -1.25 -2.97 5.56 -0.04 -1.26 -4.98 135.00 131.74 3h1i n PRO 239 Ca 0.23 -0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 3h1i n PRO 239 Cb 0.37 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3h1i n PRO 239 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3h1i s PRO 240 N -4.51 3.30 0.00 0.54 0.04 -1.26 -5.32 135.00 127.79 3h1i s PRO 240 Ca 0.67 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3h1i s PRO 240 Cb -0.24 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3h1i s PRO 240 CO 0.61 -0.16 0.41 1.17 0.04 0.00 0.00 177.00 179.07