#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l n GLU 2 N 0.00 3.09 -3.73 1.61 1.02 -1.26 -5.01 120.64 116.35 3h1l n GLU 2 Ca 0.00 -3.74 -0.36 0.00 -0.02 0.00 0.00 57.16 53.04 3h1l n GLU 2 Cb 0.00 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.08 3h1l n GLU 2 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h1l s LEU 3 N -3.76 4.39 -0.05 -4.62 1.43 -1.26 -5.10 118.68 109.71 3h1l s LEU 3 Ca 0.57 0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 54.08 3h1l s LEU 3 Cb 0.46 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 44.17 3h1l s LEU 3 CO -0.07 0.29 0.48 -1.83 0.23 0.00 0.00 176.35 175.45 3h1l s GLU 4 N -1.50 0.80 -0.22 1.70 -1.05 -1.26 -4.82 118.70 112.36 3h1l s GLU 4 Ca 0.24 0.11 -0.12 0.00 -0.15 0.00 0.00 54.97 55.06 3h1l s GLU 4 Cb -0.14 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 3h1l s GLU 4 CO 0.13 -0.22 0.20 -1.17 0.95 0.00 0.00 175.26 175.15 3h1l s LEU 5 N -1.04 4.16 -0.04 1.83 2.96 -1.26 -5.08 118.68 120.20 3h1l s LEU 5 Ca -0.11 0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 53.92 3h1l s LEU 5 Cb -0.03 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 3h1l s LEU 5 CO 0.06 0.07 0.33 -1.00 -1.32 0.00 0.00 176.35 174.50 3h1l s HIS 6 N 0.87 3.68 0.65 5.38 3.76 -1.26 -4.77 115.29 123.61 3h1l s HIS 6 Ca 0.10 0.86 -0.16 0.00 -0.15 0.00 0.00 55.06 55.71 3h1l s HIS 6 Cb -0.13 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 3h1l s HIS 6 CO 0.03 0.65 1.13 -1.25 -0.85 0.00 0.00 174.74 174.45 3h1l s PRO 7 N -0.99 2.80 0.23 8.40 0.04 -1.26 -5.05 135.00 139.17 3h1l s PRO 7 Ca 0.21 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 3h1l s PRO 7 Cb -0.15 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3h1l s PRO 7 CO 0.11 -1.26 0.31 -0.35 0.04 0.00 0.00 177.00 175.84 3h1l n PRO 8 N -2.26 -0.19 -3.91 0.56 -0.04 -1.26 -5.00 135.00 122.91 3h1l n PRO 8 Ca 0.11 -0.53 -0.33 0.00 -0.04 0.00 0.00 63.50 62.71 3h1l n PRO 8 Cb 0.51 -0.31 -0.13 0.00 -0.04 0.00 0.00 33.50 33.53 3h1l n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1l s ALA 9 N -3.80 3.06 0.50 0.55 0.00 -1.26 -4.83 121.76 115.97 3h1l s ALA 9 Ca 0.18 -2.61 -0.19 0.00 0.00 0.00 0.00 51.96 49.34 3h1l s ALA 9 Cb -0.01 -2.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 3h1l s ALA 9 CO 0.13 -1.77 1.00 -0.06 0.00 0.00 0.00 175.76 175.06 3h1l s PHE 10 N 0.88 3.22 -1.28 0.00 0.40 -1.26 -4.97 117.98 114.97 3h1l s PHE 10 Ca 0.11 1.54 -0.13 0.00 -0.60 0.00 0.00 56.93 57.84 3h1l s PHE 10 Cb -0.21 -2.91 0.13 0.00 0.51 0.00 0.00 43.02 40.54 3h1l s PHE 10 CO -0.06 -0.54 1.72 -0.35 0.70 0.00 0.00 175.22 176.69 3h1l n PRO 11 N -1.25 3.34 -1.97 0.24 -0.04 -1.26 -5.01 135.00 129.06 3h1l n PRO 11 Ca 0.08 -3.49 -0.39 0.00 -0.04 0.00 0.00 63.50 59.65 3h1l n PRO 11 Cb 0.53 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 3h1l n PRO 11 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3h1l s TRP 12 N 1.94 2.68 0.63 0.54 0.52 -1.26 -4.88 118.94 119.12 3h1l s TRP 12 Ca 0.45 1.37 0.37 0.00 0.02 0.00 0.00 56.10 58.30 3h1l s TRP 12 Cb 0.04 -3.74 2.09 0.00 -1.15 0.00 0.00 33.47 30.71 3h1l s TRP 12 CO 0.01 -2.37 2.27 0.66 0.02 0.00 0.00 176.95 177.54 3h1l h SER 13 N 2.49 0.00 -0.45 2.95 4.64 -1.95 -1.17 113.55 120.06 3h1l h SER 13 Ca -0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3h1l h SER 13 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3h1l h SER 13 CO 0.62 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.58 3h1l n HIS 14 N -3.40 1.64 0.09 4.77 -0.00 -1.26 -4.50 115.22 112.57 3h1l n HIS 14 Ca -0.02 -0.79 -0.04 0.00 -0.00 0.00 0.00 57.72 56.86 3h1l n HIS 14 Cb 0.13 -0.44 -0.00 0.00 -0.00 0.00 0.00 29.99 29.67 3h1l n HIS 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3h1l h GLY 15 N 3.13 0.00 -1.99 -1.39 0.00 -1.46 -3.46 103.07 97.90 3h1l h GLY 15 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3h1l h GLY 15 CO 0.39 0.00 0.45 -0.32 0.00 0.00 0.00 176.54 177.05 3h1l s GLY 16 N -4.61 2.60 0.54 4.60 0.00 -1.26 -4.91 107.32 104.28 3h1l s GLY 16 Ca 0.00 0.93 0.28 0.00 0.00 0.00 0.00 44.72 45.94 3h1l s GLY 16 CO 0.79 1.32 2.10 -0.56 0.00 0.00 0.00 173.10 176.76 3h1l h PRO 17 N 0.56 0.00 -0.24 2.90 0.13 -1.99 -2.15 132.00 131.21 3h1l h PRO 17 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3h1l h PRO 17 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3h1l h PRO 17 CO 0.54 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 3h1l n LEU 18 N -3.63 2.60 -4.60 1.56 4.77 -1.26 -4.81 117.00 111.63 3h1l n LEU 18 Ca -0.02 -1.84 -0.40 0.00 -0.03 0.00 0.00 56.01 53.71 3h1l n LEU 18 Cb 0.21 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3h1l n LEU 18 CO 0.29 0.64 0.20 -0.44 -1.33 0.00 0.00 177.39 176.74 3h1l s SER 19 N -0.96 6.35 0.99 -1.43 0.01 -0.81 -4.99 113.70 112.86 3h1l s SER 19 Ca 0.18 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.58 3h1l s SER 19 Cb 0.09 -2.26 0.19 0.00 0.21 0.00 0.00 66.02 64.25 3h1l s SER 19 CO 0.13 -0.32 1.18 0.00 0.41 0.00 0.00 173.24 174.63 3h1l s ALA 20 N 2.28 1.65 0.37 1.44 0.00 -1.26 -4.61 121.76 121.62 3h1l s ALA 20 Ca 0.19 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.12 3h1l s ALA 20 Cb -0.16 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 3h1l s ALA 20 CO 0.11 -2.60 0.93 -0.51 0.00 0.00 0.00 175.76 173.69 3h1l s LEU 21 N -6.19 4.16 -0.95 0.00 1.43 -1.26 -4.04 118.68 111.82 3h1l s LEU 21 Ca 0.68 1.74 -0.24 0.00 -1.03 0.00 0.00 54.13 55.28 3h1l s LEU 21 Cb -0.11 -4.23 0.05 0.00 0.03 0.00 0.00 46.19 41.93 3h1l s LEU 21 CO 0.54 -0.20 1.39 -0.62 0.23 0.00 0.00 176.35 177.70 3h1l s ASP 22 N -1.88 6.43 0.37 2.29 2.15 -1.26 -4.85 116.67 119.92 3h1l s ASP 22 Ca 0.55 -1.25 0.16 0.00 0.43 0.00 0.00 52.55 52.44 3h1l s ASP 22 Cb -0.14 -2.56 0.85 0.00 -0.30 0.00 0.00 42.92 40.77 3h1l s ASP 22 CO 0.19 -1.57 1.40 0.45 -0.17 0.00 0.00 175.17 175.47 3h1l h HIS 23 N 9.81 0.00 0.08 -5.34 3.86 -1.93 0.18 115.15 121.81 3h1l h HIS 23 Ca 0.09 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.09 3h1l h HIS 23 Cb 1.02 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.51 3h1l h HIS 23 CO 1.24 0.00 -0.84 0.77 0.86 0.00 0.00 177.93 179.95 3h1l h SER 24 N 0.00 0.60 0.84 2.45 0.02 -1.92 -2.80 113.55 112.74 3h1l h SER 24 Ca 0.00 -0.85 -0.03 0.00 -0.84 0.00 0.00 61.79 60.08 3h1l h SER 24 Cb 0.60 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3h1l h SER 24 CO 0.00 1.38 -0.13 -1.28 -1.14 0.00 0.00 176.83 175.67 3h1l h SER 25 N -0.11 0.00 0.71 3.07 0.87 -1.07 -2.78 113.55 114.24 3h1l h SER 25 Ca -0.13 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.17 3h1l h SER 25 Cb 1.59 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 3h1l h SER 25 CO 0.16 0.13 -1.25 0.58 -0.53 0.00 0.00 176.83 175.92 3h1l h VAL 26 N 0.00 1.46 -0.74 2.23 2.07 -1.41 -1.53 116.25 118.33 3h1l h VAL 26 Ca -0.00 -3.11 -0.04 0.00 0.82 0.00 0.00 66.70 64.37 3h1l h VAL 26 Cb 0.58 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 3h1l h VAL 26 CO 0.02 0.88 0.32 -0.09 0.02 0.00 0.00 177.57 178.71 3h1l h ARG 27 N 0.04 1.09 -0.04 1.57 2.43 -1.22 -0.99 114.38 117.25 3h1l h ARG 27 Ca -0.12 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3h1l h ARG 27 Cb 1.92 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 31.28 3h1l h ARG 27 CO 0.16 0.88 -0.01 0.00 -1.51 0.00 0.00 179.97 179.49 3h1l h ARG 28 N 1.05 0.08 -0.78 0.20 3.08 -1.53 -2.70 114.38 113.78 3h1l h ARG 28 Ca 0.25 -0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.44 3h1l h ARG 28 Cb 0.18 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.08 3h1l h ARG 28 CO -0.02 0.40 -0.09 0.78 -1.07 0.00 0.00 179.97 179.97 3h1l h GLY 29 N -0.25 0.74 0.36 0.04 0.00 -0.87 0.47 103.07 103.55 3h1l h GLY 29 Ca 0.01 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.60 3h1l h GLY 29 CO 0.00 -0.31 0.03 -2.75 0.00 0.00 0.00 176.54 173.52 3h1l h PHE 30 N 0.05 0.04 -0.46 5.60 3.57 -1.05 -0.26 116.94 124.42 3h1l h PHE 30 Ca 0.41 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.99 3h1l h PHE 30 Cb 0.69 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 3h1l h PHE 30 CO -0.52 -0.05 0.18 0.37 -2.23 0.00 0.00 178.31 176.06 3h1l h GLN 31 N 0.15 0.35 -0.15 1.11 4.15 0.18 0.67 115.11 121.56 3h1l h GLN 31 Ca 0.21 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.65 3h1l h GLN 31 Cb 0.30 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 3h1l h GLN 31 CO -0.33 0.23 -0.09 0.28 -1.93 0.00 0.00 178.83 177.00 3h1l h VAL 32 N 0.36 0.73 0.02 2.39 2.07 0.05 0.27 116.25 122.14 3h1l h VAL 32 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 3h1l h VAL 32 Cb 0.20 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3h1l h VAL 32 CO -0.21 0.00 -0.01 0.22 0.02 0.00 0.00 177.57 177.59 3h1l h TYR 33 N -0.08 -0.03 -0.92 1.57 3.20 -0.23 0.12 116.97 120.60 3h1l h TYR 33 Ca 0.09 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.02 3h1l h TYR 33 Cb 0.21 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3h1l h TYR 33 CO -0.23 0.06 0.60 -0.22 -1.64 0.00 0.00 178.16 176.73 3h1l h LYS 34 N -0.11 1.03 -0.00 1.82 3.64 0.80 0.11 116.57 123.86 3h1l h LYS 34 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3h1l h LYS 34 Cb 0.10 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3h1l h LYS 34 CO 0.01 0.68 -0.91 1.04 -2.27 0.00 0.00 179.45 178.00 3h1l n GLN 35 N -4.49 0.39 0.08 1.90 6.02 0.91 -4.65 117.38 117.54 3h1l n GLN 35 Ca 0.14 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3h1l n GLN 35 Cb 0.19 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.99 3h1l n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1l n VAL 36 N -1.34 0.88 -0.01 5.09 0.31 0.41 -4.93 118.33 118.74 3h1l n VAL 36 Ca 0.04 0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 64.50 3h1l n VAL 36 Cb 0.33 -1.28 -0.05 0.00 -0.91 0.00 0.00 33.84 31.92 3h1l n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1l n SER 38 N -3.92 0.00 0.15 0.00 3.41 0.37 0.03 113.62 113.66 3h1l n SER 38 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.58 3h1l n SER 38 Cb 0.74 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.74 3h1l n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1l h ALA 39 N 1.77 0.73 0.00 7.33 0.00 -1.80 -3.40 119.26 123.88 3h1l h ALA 39 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h1l h ALA 39 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h1l h ALA 39 CO 0.00 0.52 -0.17 0.00 0.00 0.00 0.00 179.25 179.59 3h1l s HIS 41 N -0.48 3.23 0.60 0.00 3.76 0.10 -4.72 115.29 117.77 3h1l s HIS 41 Ca 0.00 0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 54.87 3h1l s HIS 41 Cb 0.00 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 3h1l s HIS 41 CO 0.00 -0.12 1.01 -1.54 -0.85 0.00 0.00 174.74 173.24 3h1l s SER 42 N 1.51 6.29 -0.39 1.40 1.04 -1.26 -4.22 113.70 118.07 3h1l s SER 42 Ca 0.07 1.42 0.11 0.00 0.48 0.00 0.00 55.95 58.03 3h1l s SER 42 Cb -0.15 -2.47 0.34 0.00 0.10 0.00 0.00 66.02 63.84 3h1l s SER 42 CO 0.08 -0.82 0.78 0.80 0.98 0.00 0.00 173.24 175.06 3h1l n MET 43 N -2.55 0.96 -0.06 4.02 0.00 -1.26 -0.80 117.12 117.43 3h1l n MET 43 Ca 0.06 -3.15 0.25 0.00 0.00 0.00 0.00 57.70 54.86 3h1l n MET 43 Cb 0.54 -1.58 0.69 0.00 0.00 0.00 0.00 33.22 32.86 3h1l n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3h1l h ASP 44 N 3.06 0.00 -0.71 6.12 3.32 -1.95 -2.69 116.42 123.58 3h1l h ASP 44 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3h1l h ASP 44 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3h1l h ASP 44 CO 0.44 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.74 3h1l n TYR 45 N -3.74 1.15 -4.34 4.55 4.02 -1.26 -4.81 117.16 112.73 3h1l n TYR 45 Ca 0.14 -0.54 -0.28 0.00 -0.01 0.00 0.00 57.90 57.22 3h1l n TYR 45 Cb 0.93 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 40.06 3h1l n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1l s VAL 46 N -1.27 2.72 0.04 -0.72 1.01 -1.01 -5.06 120.40 116.10 3h1l s VAL 46 Ca 0.50 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 3h1l s VAL 46 Cb 0.28 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3h1l s VAL 46 CO 0.31 0.02 0.02 0.00 0.00 0.00 0.00 175.10 175.45 3h1l s ALA 47 N -1.33 0.18 0.46 5.51 0.00 -1.26 -1.72 121.76 123.60 3h1l s ALA 47 Ca 0.19 -0.79 0.28 0.00 0.00 0.00 0.00 51.96 51.64 3h1l s ALA 47 Cb -0.10 0.24 1.34 0.00 0.00 0.00 0.00 23.12 24.60 3h1l s ALA 47 CO 0.10 -0.30 1.73 0.74 0.00 0.00 0.00 175.76 178.04 3h1l h PHE 48 N 3.73 0.41 -0.26 0.00 -1.00 -1.63 0.50 116.94 118.69 3h1l h PHE 48 Ca -0.33 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.41 3h1l h PHE 48 Cb 1.18 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.61 3h1l h PHE 48 CO 0.57 -0.03 -0.10 0.07 -1.61 0.00 0.00 178.31 177.21 3h1l h ARG 49 N 0.19 0.43 -0.10 1.51 0.11 -1.14 -2.73 114.38 112.65 3h1l h ARG 49 Ca 0.66 -0.11 0.03 0.00 0.10 0.00 0.00 59.98 60.66 3h1l h ARG 49 Cb 2.11 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 33.13 3h1l h ARG 49 CO -0.24 0.54 0.10 -0.91 0.10 0.00 0.00 179.97 179.56 3h1l h ASN 50 N 0.41 0.00 0.82 0.08 2.35 -0.27 -1.41 115.58 117.55 3h1l h ASN 50 Ca 0.08 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 3h1l h ASN 50 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3h1l h ASN 50 CO 0.02 0.00 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.09 3h1l h LEU 51 N 0.00 0.00 -9.55 1.61 3.38 -1.55 -3.41 115.31 105.79 3h1l h LEU 51 Ca 0.05 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.46 3h1l h LEU 51 Cb 0.24 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.04 3h1l h LEU 51 CO -0.00 0.64 0.94 -0.38 0.09 0.00 0.00 178.44 179.73 3h1l n ILE 52 N -3.60 0.09 -0.48 1.22 5.41 -0.53 -0.88 119.36 120.60 3h1l n ILE 52 Ca -0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3h1l n ILE 52 Cb 0.67 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 3h1l n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1l n GLY 53 N 3.80 1.36 0.51 7.39 0.00 -0.27 -4.72 105.19 113.26 3h1l n GLY 53 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3h1l n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1l n VAL 54 N -2.00 1.19 0.00 1.61 0.31 -0.66 -4.90 118.33 113.87 3h1l n VAL 54 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3h1l n VAL 54 Cb 0.00 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 3h1l n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1l n THR 55 N -3.91 0.00 -4.30 2.52 -2.24 -0.05 -4.88 114.28 101.41 3h1l n THR 55 Ca -0.17 -0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3h1l n THR 55 Cb 0.46 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 3h1l n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1l s HIS 56 N -1.17 1.47 0.53 4.78 4.02 -0.30 -4.87 115.29 119.76 3h1l s HIS 56 Ca 0.00 -0.78 -0.07 0.00 1.02 0.00 0.00 55.06 55.23 3h1l s HIS 56 Cb 0.00 -0.78 -0.03 0.00 -1.02 0.00 0.00 32.58 30.75 3h1l s HIS 56 CO 0.00 0.10 0.86 0.95 1.02 0.00 0.00 174.74 177.67 3h1l s THR 57 N -3.28 4.77 0.32 1.30 -4.23 -1.26 -1.12 115.64 112.14 3h1l s THR 57 Ca 0.22 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 3h1l s THR 57 Cb 0.03 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 70.31 3h1l s THR 57 CO 0.05 -0.91 1.94 -0.08 -0.54 0.00 0.00 174.62 175.08 3h1l h GLU 58 N 0.04 0.93 0.65 3.99 4.81 -1.97 -0.77 114.58 122.26 3h1l h GLU 58 Ca -0.46 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3h1l h GLU 58 Cb 1.20 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3h1l h GLU 58 CO 0.62 0.61 -0.37 0.00 -0.73 0.00 0.00 179.01 179.14 3h1l h ALA 59 N 1.54 -1.21 -0.62 2.92 0.00 -2.00 -1.87 119.26 118.01 3h1l h ALA 59 Ca 0.35 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3h1l h ALA 59 Cb 0.16 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 3h1l h ALA 59 CO -0.12 -1.17 -0.45 0.93 0.00 0.00 0.00 179.25 178.45 3h1l h GLU 60 N -0.94 -0.20 -0.39 0.00 5.08 -1.85 -1.51 114.58 114.77 3h1l h GLU 60 Ca -0.09 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3h1l h GLU 60 Cb 0.74 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 3h1l h GLU 60 CO 0.11 -0.13 -0.14 0.00 -1.00 0.00 0.00 179.01 177.85 3h1l h ALA 61 N 0.63 0.19 -0.59 3.43 0.00 -1.08 0.24 119.26 122.09 3h1l h ALA 61 Ca 0.18 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3h1l h ALA 61 Cb 0.56 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3h1l h ALA 61 CO -0.72 -0.50 0.37 -0.22 0.00 0.00 0.00 179.25 178.18 3h1l h LYS 62 N -0.05 0.70 -0.28 0.00 3.64 -0.45 -1.69 116.57 118.44 3h1l h LYS 62 Ca 0.19 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 3h1l h LYS 62 Cb 0.34 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3h1l h LYS 62 CO -0.43 0.47 -0.30 0.00 -2.27 0.00 0.00 179.45 176.92 3h1l h ALA 63 N 1.25 0.97 -0.50 5.00 0.00 -0.59 -1.51 119.26 123.88 3h1l h ALA 63 Ca 0.24 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h1l h ALA 63 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h1l h ALA 63 CO -0.09 0.60 0.33 -0.07 0.00 0.00 0.00 179.25 180.02 3h1l h LEU 64 N 0.49 0.51 0.00 0.00 3.38 0.04 -2.14 115.31 117.59 3h1l h LEU 64 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h1l h LEU 64 Cb 0.76 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3h1l h LEU 64 CO 0.06 0.36 -0.69 0.00 0.09 0.00 0.00 178.44 178.26 3h1l h ALA 65 N 1.71 0.68 -0.00 1.53 0.00 -0.83 -3.25 119.26 119.09 3h1l h ALA 65 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h1l h ALA 65 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h1l h ALA 65 CO -0.05 0.11 -0.17 0.39 0.00 0.00 0.00 179.25 179.54 3h1l n GLU 66 N -2.86 0.21 0.00 0.00 1.02 -0.61 -2.25 120.64 116.15 3h1l n GLU 66 Ca 0.01 -0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3h1l n GLU 66 Cb 0.58 -1.50 0.65 0.00 -0.02 0.00 0.00 31.44 31.15 3h1l n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h1l n GLU 67 N -1.34 0.42 -4.34 3.49 1.02 -0.94 -4.42 120.64 114.54 3h1l n GLU 67 Ca 0.09 0.04 -0.27 0.00 -0.02 0.00 0.00 57.16 57.00 3h1l n GLU 67 Cb 0.32 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 3h1l n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1l s VAL 68 N -2.50 2.89 -0.16 2.62 1.01 -1.18 -5.03 120.40 118.05 3h1l s VAL 68 Ca 0.26 -1.78 -0.12 0.00 0.00 0.00 0.00 61.98 60.33 3h1l s VAL 68 Cb 0.17 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3h1l s VAL 68 CO 0.37 -0.11 0.24 -1.61 0.00 0.00 0.00 175.10 174.00 3h1l s GLU 69 N -2.75 4.17 -0.08 2.72 0.41 -1.26 -1.78 118.70 120.13 3h1l s GLU 69 Ca 0.23 0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.84 3h1l s GLU 69 Cb -0.09 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 3h1l s GLU 69 CO 0.13 0.31 -0.20 0.08 -0.49 0.00 0.00 175.26 175.10 3h1l s VAL 70 N 0.28 1.69 0.22 2.63 1.01 0.23 -4.91 120.40 121.55 3h1l s VAL 70 Ca 0.14 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3h1l s VAL 70 Cb -0.12 -1.47 -0.08 0.00 0.00 0.00 0.00 36.38 34.70 3h1l s VAL 70 CO 0.03 0.48 1.05 -1.58 0.00 0.00 0.00 175.10 175.07 3h1l s GLN 71 N 0.32 4.68 0.00 2.72 0.74 -1.26 -1.66 119.66 125.20 3h1l s GLN 71 Ca -0.13 1.66 0.00 0.00 0.05 0.00 0.00 55.36 56.94 3h1l s GLN 71 Cb -0.16 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.69 3h1l s GLN 71 CO 0.06 0.24 0.00 -3.47 -0.55 0.00 0.00 175.29 171.57 3h1l n ASP 72 N 1.84 0.27 0.00 6.67 4.64 -0.61 -4.98 116.55 124.39 3h1l n ASP 72 Ca 0.00 -0.65 0.00 0.00 -1.38 0.00 0.00 54.79 52.76 3h1l n ASP 72 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.54 3h1l n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1l n GLY 73 N 0.69 -0.46 3.84 0.27 0.00 -1.26 -2.52 105.19 105.74 3h1l n GLY 73 Ca 0.00 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 3h1l n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1l s PRO 74 N -0.33 1.85 0.00 1.61 0.04 -1.26 -5.03 135.00 131.88 3h1l s PRO 74 Ca 0.00 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.38 3h1l s PRO 74 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3h1l s PRO 74 CO 0.00 -1.72 0.00 -0.40 0.04 0.00 0.00 177.00 174.92 3h1l n ASP 75 N -3.45 0.00 0.12 6.66 5.68 -0.59 -4.79 116.55 120.19 3h1l n ASP 75 Ca 0.07 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.37 3h1l n ASP 75 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 3h1l n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3h1l h GLU 76 N 0.00 0.00 -0.60 0.11 3.07 -2.02 -3.12 114.58 112.02 3h1l h GLU 76 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3h1l h GLU 76 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 3h1l h GLU 76 CO 0.00 0.60 0.13 0.09 -1.40 0.00 0.00 179.01 178.42 3h1l n ASN 77 N -3.25 4.89 -3.70 1.42 3.02 -1.26 -4.91 115.26 111.47 3h1l n ASN 77 Ca 0.02 -3.13 -0.24 0.00 -0.03 0.00 0.00 54.58 51.20 3h1l n ASN 77 Cb 0.77 -0.69 0.05 0.00 -0.61 0.00 0.00 39.78 39.30 3h1l n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1l n GLY 78 N -0.01 -0.41 3.33 7.41 0.00 -1.18 -4.98 105.19 109.35 3h1l n GLY 78 Ca 0.34 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 3h1l n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1l s GLU 79 N -6.13 3.18 0.91 1.61 0.41 -1.26 -4.74 118.70 112.68 3h1l s GLU 79 Ca 0.31 -0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 54.00 3h1l s GLU 79 Cb -0.15 -2.49 0.14 0.00 -1.78 0.00 0.00 34.13 29.85 3h1l s GLU 79 CO 0.79 0.24 1.09 -0.51 -0.49 0.00 0.00 175.26 176.38 3h1l s LEU 80 N 0.25 2.29 -0.24 1.80 1.43 -1.26 -1.54 118.68 121.41 3h1l s LEU 80 Ca -0.12 1.63 -0.27 0.00 -1.03 0.00 0.00 54.13 54.35 3h1l s LEU 80 Cb -0.16 -4.03 0.12 0.00 0.03 0.00 0.00 46.19 42.15 3h1l s LEU 80 CO 0.06 -2.79 0.99 0.72 0.23 0.00 0.00 176.35 175.57 3h1l s PHE 81 N -2.84 -0.47 0.99 0.29 -0.12 -1.05 -4.89 117.98 109.89 3h1l s PHE 81 Ca 0.64 1.07 -0.12 0.00 -0.05 0.00 0.00 56.93 58.46 3h1l s PHE 81 Cb -0.19 0.38 0.18 0.00 -0.63 0.00 0.00 43.02 42.76 3h1l s PHE 81 CO 0.58 -0.28 1.10 -1.64 -0.05 0.00 0.00 175.22 174.92 3h1l s MET 82 N -0.16 0.52 -0.16 1.99 -1.94 -1.26 -1.57 119.30 116.73 3h1l s MET 82 Ca 0.01 0.52 -0.34 0.00 -1.71 0.00 0.00 55.69 54.18 3h1l s MET 82 Cb -0.04 -1.75 0.13 0.00 2.01 0.00 0.00 34.83 35.19 3h1l s MET 82 CO -0.03 -2.67 1.15 -0.98 -0.01 0.00 0.00 175.02 172.48 3h1l s ARG 83 N -4.98 0.41 0.49 2.03 1.70 -0.66 -4.82 118.95 113.11 3h1l s ARG 83 Ca 0.65 -0.14 -0.19 0.00 -0.47 0.00 0.00 55.73 55.58 3h1l s ARG 83 Cb -0.18 0.19 -0.08 0.00 -0.57 0.00 0.00 34.95 34.30 3h1l s ARG 83 CO 0.57 -0.18 1.01 -1.25 -1.08 0.00 0.00 175.30 174.38 3h1l s PRO 84 N -2.49 3.87 0.57 3.89 0.04 -1.26 0.78 135.00 140.39 3h1l s PRO 84 Ca 0.08 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 3h1l s PRO 84 Cb -0.01 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3h1l s PRO 84 CO -0.05 -0.36 1.10 0.20 0.04 0.00 0.00 177.00 177.93 3h1l s GLY 85 N -2.30 2.44 0.24 0.56 0.00 -0.73 -4.72 107.32 102.80 3h1l s GLY 85 Ca 0.64 0.67 0.11 0.00 0.00 0.00 0.00 44.72 46.14 3h1l s GLY 85 CO 0.22 1.02 -0.14 0.54 0.00 0.00 0.00 173.10 174.74 3h1l s LYS 86 N -3.58 1.88 0.37 2.90 1.02 -1.26 -3.55 119.74 117.52 3h1l s LYS 86 Ca 0.69 -1.53 0.23 0.00 0.02 0.00 0.00 55.97 55.39 3h1l s LYS 86 Cb -0.21 -1.96 1.24 0.00 -0.52 0.00 0.00 37.83 36.38 3h1l s LYS 86 CO 0.31 0.38 1.68 -0.84 -0.92 0.00 0.00 175.35 175.96 3h1l h ILE 87 N 2.47 0.00 -0.01 2.17 3.07 -1.88 0.07 117.51 123.39 3h1l h ILE 87 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 3h1l h ILE 87 Cb 1.23 0.51 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 3h1l h ILE 87 CO 0.56 0.00 -0.00 -1.54 -1.05 0.00 0.00 178.15 176.12 3h1l n SER 88 N -2.33 1.25 -4.85 2.16 3.41 -1.26 -0.62 113.62 111.37 3h1l n SER 88 Ca -0.02 -1.41 -0.32 0.00 -0.26 0.00 0.00 58.87 56.87 3h1l n SER 88 Cb 0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3h1l n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h1l s ASP 89 N -2.00 6.64 0.33 4.04 1.01 0.01 -4.96 116.67 121.74 3h1l s ASP 89 Ca 0.40 1.36 -0.07 0.00 0.71 0.00 0.00 52.55 54.95 3h1l s ASP 89 Cb 0.21 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.67 3h1l s ASP 89 CO 0.34 -0.43 0.64 -0.31 0.21 0.00 0.00 175.17 175.62 3h1l s TYR 90 N -2.38 3.48 0.28 4.23 1.51 -1.26 -2.97 117.35 120.23 3h1l s TYR 90 Ca 0.55 0.79 -0.29 0.00 -1.01 0.00 0.00 57.07 57.12 3h1l s TYR 90 Cb -0.10 -2.23 -0.14 0.00 -0.11 0.00 0.00 41.96 39.38 3h1l s TYR 90 CO 0.27 0.06 1.03 1.19 -1.11 0.00 0.00 175.55 177.00 3h1l n PHE 91 N -1.09 1.29 -1.88 2.71 3.72 -0.70 -4.86 117.46 116.66 3h1l n PHE 91 Ca -0.00 0.70 -0.42 0.00 -0.05 0.00 0.00 57.45 57.68 3h1l n PHE 91 Cb 0.54 -2.26 -0.02 0.00 -0.94 0.00 0.00 39.48 36.80 3h1l n PHE 91 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3h1l s PRO 92 N -1.41 4.19 -0.05 -1.08 0.02 -1.26 -4.66 135.00 130.75 3h1l s PRO 92 Ca 0.60 2.45 -0.28 0.00 0.02 0.00 0.00 61.00 63.79 3h1l s PRO 92 Cb -0.71 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.69 3h1l s PRO 92 CO 0.59 -0.58 0.92 0.15 -0.33 0.00 0.00 177.00 177.75 3h1l s LYS 93 N 0.16 4.48 0.00 5.54 1.02 -1.26 -4.67 119.74 125.01 3h1l s LYS 93 Ca 0.65 1.28 0.27 0.00 0.02 0.00 0.00 55.97 58.20 3h1l s LYS 93 Cb -0.45 -3.49 1.30 0.00 -0.52 0.00 0.00 37.83 34.67 3h1l s LYS 93 CO 0.40 -0.12 1.91 -0.35 -0.92 0.00 0.00 175.35 176.27 3h1l n PRO 94 N 4.27 0.26 -3.90 -1.68 -0.04 -1.26 -4.76 135.00 127.90 3h1l n PRO 94 Ca 0.05 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 3h1l n PRO 94 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 3h1l n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h1l s TYR 95 N -2.71 0.08 0.37 0.54 1.51 -1.26 -4.99 117.35 110.89 3h1l s TYR 95 Ca 0.22 -0.17 0.13 0.00 -1.01 0.00 0.00 57.07 56.24 3h1l s TYR 95 Cb 0.18 -0.07 0.77 0.00 -0.11 0.00 0.00 41.96 42.72 3h1l s TYR 95 CO 0.44 -0.20 1.85 -1.00 -1.11 0.00 0.00 175.55 175.52 3h1l h PRO 96 N 4.79 0.00 -1.72 -1.71 0.13 -1.96 -3.46 132.00 128.06 3h1l h PRO 96 Ca -0.30 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.89 3h1l h PRO 96 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 3h1l h PRO 96 CO 0.42 0.35 0.47 0.54 -0.23 0.00 0.00 178.00 179.54 3h1l s ASN 97 N -6.90 -0.43 0.31 1.44 2.20 -1.26 -5.06 114.94 105.24 3h1l s ASN 97 Ca -0.03 0.43 0.04 0.00 -0.94 0.00 0.00 52.86 52.35 3h1l s ASN 97 Cb 0.14 0.36 0.79 0.00 -2.00 0.00 0.00 41.25 40.55 3h1l s ASN 97 CO 0.72 -0.43 1.60 1.55 -2.94 0.00 0.00 177.10 177.60 3h1l h PRO 98 N 2.59 0.08 -0.76 3.55 0.13 -1.99 -0.31 132.00 135.29 3h1l h PRO 98 Ca -0.20 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.08 3h1l h PRO 98 Cb 1.17 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 3h1l h PRO 98 CO 0.33 0.05 -0.11 0.93 -0.23 0.00 0.00 178.00 178.97 3h1l h GLU 99 N 0.08 0.03 0.00 0.86 3.07 -2.00 0.25 114.58 116.88 3h1l h GLU 99 Ca 0.60 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.32 3h1l h GLU 99 Cb 1.29 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.17 3h1l h GLU 99 CO -0.80 0.02 -0.68 0.00 -1.40 0.00 0.00 179.01 176.16 3h1l h ALA 100 N 1.75 0.78 -0.26 3.43 0.00 -1.49 -2.08 119.26 121.39 3h1l h ALA 100 Ca 0.39 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3h1l h ALA 100 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3h1l h ALA 100 CO -0.74 0.84 0.06 0.00 0.00 0.00 0.00 179.25 179.41 3h1l h ALA 101 N 1.32 0.34 -0.32 0.00 0.00 -0.23 -2.58 119.26 117.81 3h1l h ALA 101 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3h1l h ALA 101 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3h1l h ALA 101 CO 0.09 0.01 0.12 0.00 0.00 0.00 0.00 179.25 179.47 3h1l h ARG 102 N 0.25 0.47 0.00 0.00 3.08 -0.75 -2.54 114.38 114.90 3h1l h ARG 102 Ca 0.08 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3h1l h ARG 102 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3h1l h ARG 102 CO 0.00 0.49 0.48 0.00 -1.07 0.00 0.00 179.97 179.87 3h1l h ALA 103 N 0.96 1.44 -0.61 0.04 0.00 -0.99 0.41 119.26 120.51 3h1l h ALA 103 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.59 3h1l h ALA 103 Cb 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.58 3h1l h ALA 103 CO -0.01 -0.44 -0.91 0.00 0.00 0.00 0.00 179.25 177.89 3h1l n ALA 104 N -1.69 4.13 -1.96 0.00 0.00 -0.96 -4.63 120.51 115.41 3h1l n ALA 104 Ca -0.01 -3.41 -0.01 0.00 0.00 0.00 0.00 53.44 50.01 3h1l n ALA 104 Cb 0.51 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 3h1l n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1l n ASN 105 N -0.67 -0.15 -1.55 0.00 3.02 -0.25 -5.00 115.26 110.66 3h1l n ASN 105 Ca 0.30 -1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 53.64 3h1l n ASN 105 Cb 0.91 0.05 0.02 0.00 -0.61 0.00 0.00 39.78 40.14 3h1l n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1l n ASN 106 N 0.00 -3.74 0.00 6.41 3.02 -1.11 -2.70 115.26 117.14 3h1l n ASN 106 Ca -0.04 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 3h1l n ASN 106 Cb 0.51 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 37.01 3h1l n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1l n GLY 107 N -1.11 0.81 3.82 7.41 0.00 -0.03 -5.02 105.19 111.07 3h1l n GLY 107 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3h1l n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1l s ALA 108 N -3.16 3.53 -0.45 4.61 0.00 -1.10 -4.85 121.76 120.33 3h1l s ALA 108 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3h1l s ALA 108 Cb 0.00 -2.69 0.12 0.00 0.00 0.00 0.00 23.12 20.55 3h1l s ALA 108 CO 0.00 0.38 0.28 -1.17 0.00 0.00 0.00 175.76 175.26 3h1l s LEU 109 N -1.52 5.45 -0.33 0.00 2.96 -1.26 -3.86 118.68 120.12 3h1l s LEU 109 Ca 0.35 -2.06 -0.28 0.00 -0.22 0.00 0.00 54.13 51.92 3h1l s LEU 109 Cb -0.18 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3h1l s LEU 109 CO 0.20 -0.59 1.91 -2.16 -1.32 0.00 0.00 176.35 174.40 3h1l s PRO 110 N 1.12 3.21 0.74 0.98 0.04 -1.26 -4.94 135.00 134.89 3h1l s PRO 110 Ca 0.08 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 3h1l s PRO 110 Cb -0.24 -4.26 0.01 0.00 0.04 0.00 0.00 34.50 30.05 3h1l s PRO 110 CO -0.03 -2.01 0.92 -0.35 0.04 0.00 0.00 177.00 175.57 3h1l n PRO 111 N 8.56 0.43 -2.24 0.56 -0.04 -1.26 -4.64 135.00 136.37 3h1l n PRO 111 Ca 0.25 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.49 3h1l n PRO 111 Cb 0.47 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 3h1l n PRO 111 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3h1l s ASP 112 N -1.68 6.92 0.00 3.54 -1.08 -1.26 -4.36 116.67 118.75 3h1l s ASP 112 Ca 0.72 2.36 0.18 0.00 -0.52 0.00 0.00 52.55 55.29 3h1l s ASP 112 Cb -0.34 -2.61 0.68 0.00 -1.46 0.00 0.00 42.92 39.20 3h1l s ASP 112 CO 0.52 -0.51 1.49 0.18 0.52 0.00 0.00 175.17 177.37 3h1l n LEU 113 N 2.73 1.47 0.06 -1.34 4.77 0.02 -4.47 117.00 120.24 3h1l n LEU 113 Ca 0.06 -0.64 -0.14 0.00 -0.03 0.00 0.00 56.01 55.26 3h1l n LEU 113 Cb 0.43 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 3h1l n LEU 113 CO 0.58 0.32 0.51 0.28 -1.33 0.00 0.00 177.39 177.75 3h1l h SER 114 N 1.88 -1.43 -0.52 -1.43 0.02 -1.90 -2.92 113.55 107.24 3h1l h SER 114 Ca 0.00 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3h1l h SER 114 Cb 0.41 0.54 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3h1l h SER 114 CO 0.00 -0.46 0.00 -1.22 -1.14 0.00 0.00 176.83 174.01 3h1l n TYR 115 N -5.06 1.88 -0.02 3.45 4.02 -1.26 -3.05 117.16 117.12 3h1l n TYR 115 Ca -0.07 -0.76 -0.10 0.00 -0.01 0.00 0.00 57.90 56.96 3h1l n TYR 115 Cb 0.35 -0.48 -0.04 0.00 -0.02 0.00 0.00 39.34 39.15 3h1l n TYR 115 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3h1l h ILE 116 N 3.58 0.26 0.00 -0.72 6.09 -1.73 -1.63 117.51 123.37 3h1l h ILE 116 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3h1l h ILE 116 Cb 1.89 0.26 0.00 0.00 0.47 0.00 0.00 36.82 39.45 3h1l h ILE 116 CO 0.45 0.00 0.06 1.33 -3.07 0.00 0.00 178.15 176.91 3h1l n VAL 117 N -5.41 1.64 0.48 2.19 0.24 -1.26 -0.22 118.33 116.00 3h1l n VAL 117 Ca -0.03 0.54 0.05 0.00 -2.04 0.00 0.00 64.34 62.87 3h1l n VAL 117 Cb 0.33 -1.54 -0.02 0.00 -1.47 0.00 0.00 33.84 31.14 3h1l n VAL 117 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3h1l n ASN 118 N -1.58 1.02 -1.03 -1.34 3.02 -0.66 -3.74 115.26 110.95 3h1l n ASN 118 Ca -0.00 -1.01 0.12 0.00 -0.03 0.00 0.00 54.58 53.66 3h1l n ASN 118 Cb 0.06 0.64 0.14 0.00 -0.61 0.00 0.00 39.78 40.01 3h1l n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1l n ALA 119 N -0.56 2.44 -3.53 5.41 0.00 0.70 -4.89 120.51 120.10 3h1l n ALA 119 Ca 0.04 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.47 3h1l n ALA 119 Cb 0.21 -0.83 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 3h1l n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1l s ARG 120 N -1.79 0.93 0.14 0.00 1.81 -1.10 -5.06 118.95 113.88 3h1l s ARG 120 Ca 0.32 -0.16 -0.31 0.00 -1.72 0.00 0.00 55.73 53.85 3h1l s ARG 120 Cb 0.21 -0.89 -0.10 0.00 -0.45 0.00 0.00 34.95 33.72 3h1l s ARG 120 CO 0.30 -0.04 1.71 -1.01 -0.68 0.00 0.00 175.30 175.59 3h1l s HIS 121 N 0.76 2.59 0.00 -0.53 3.76 -1.26 -1.87 115.29 118.74 3h1l s HIS 121 Ca -0.11 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 3h1l s HIS 121 Cb -0.14 -4.08 0.00 0.00 1.11 0.00 0.00 32.58 29.48 3h1l s HIS 121 CO 0.01 -4.24 0.00 0.41 -0.85 0.00 0.00 174.74 170.07 3h1l n GLY 122 N 4.02 2.55 7.00 -2.22 0.00 -1.26 -4.71 105.19 110.57 3h1l n GLY 122 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3h1l n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1l n GLY 123 N -0.55 2.51 0.25 -0.02 0.00 -0.78 -0.55 105.19 106.05 3h1l n GLY 123 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3h1l n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1l h GLU 124 N 0.00 0.00 -0.49 1.61 9.09 -1.92 -0.76 114.58 122.11 3h1l h GLU 124 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 3h1l h GLU 124 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3h1l h GLU 124 CO 0.00 0.12 0.12 -0.44 0.05 0.00 0.00 179.01 178.86 3h1l h ASP 125 N 0.00 0.67 0.10 3.06 3.45 -1.16 -0.46 116.42 122.09 3h1l h ASP 125 Ca -0.00 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 3h1l h ASP 125 Cb 0.25 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3h1l h ASP 125 CO 0.02 0.66 -0.05 0.22 -1.57 0.00 0.00 179.24 178.52 3h1l h TYR 126 N 0.71 -0.12 -0.89 4.55 3.20 -0.52 -2.72 116.97 121.18 3h1l h TYR 126 Ca 0.16 -0.00 0.28 0.00 3.14 0.00 0.00 58.73 62.31 3h1l h TYR 126 Cb 0.25 0.04 -0.16 0.00 1.54 0.00 0.00 36.73 38.40 3h1l h TYR 126 CO 0.01 -0.08 0.16 0.28 -1.64 0.00 0.00 178.16 176.90 3h1l n VAL 127 N -2.85 -0.37 0.17 1.81 0.31 -0.72 -1.21 118.33 115.46 3h1l n VAL 127 Ca -0.02 1.90 -0.07 0.00 -0.01 0.00 0.00 64.34 66.15 3h1l n VAL 127 Cb 0.05 -2.87 -0.03 0.00 -0.91 0.00 0.00 33.84 30.08 3h1l n VAL 127 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3h1l h PHE 128 N 0.00 -0.40 -1.21 3.52 3.57 -1.15 -1.59 116.94 119.69 3h1l h PHE 128 Ca 0.61 -0.01 0.40 0.00 3.53 0.00 0.00 57.97 62.49 3h1l h PHE 128 Cb 1.39 0.13 -0.13 0.00 2.79 0.00 0.00 35.95 40.13 3h1l h PHE 128 CO -0.31 -0.25 0.76 0.77 -2.23 0.00 0.00 178.31 177.05 3h1l h SER 129 N -0.49 0.31 -0.22 0.41 0.02 -0.87 0.29 113.55 113.01 3h1l h SER 129 Ca -0.04 0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 3h1l h SER 129 Cb 0.33 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3h1l h SER 129 CO 0.07 -0.17 -0.55 0.25 -1.14 0.00 0.00 176.83 175.30 3h1l h LEU 130 N 0.15 0.90 -0.05 5.07 5.85 -0.99 0.77 115.31 127.00 3h1l h LEU 130 Ca 0.78 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3h1l h LEU 130 Cb 2.29 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 3h1l h LEU 130 CO -0.47 1.26 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.82 3h1l h LEU 131 N 0.62 0.10 0.00 2.25 3.38 0.55 -3.21 115.31 119.01 3h1l h LEU 131 Ca 0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3h1l h LEU 131 Cb 1.14 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3h1l h LEU 131 CO 0.12 0.44 -0.22 0.35 0.09 0.00 0.00 178.44 179.22 3h1l n THR 132 N -4.84 0.41 1.17 0.22 -2.24 -0.56 -4.19 114.28 104.25 3h1l n THR 132 Ca -0.07 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.51 3h1l n THR 132 Cb 0.22 -0.38 0.10 0.00 -2.10 0.00 0.00 70.33 68.17 3h1l n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1l n GLY 133 N 1.35 0.32 3.77 3.38 0.00 0.27 -4.95 105.19 109.32 3h1l n GLY 133 Ca 0.05 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3h1l n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1l s TYR 134 N -1.68 2.73 0.09 1.61 1.51 -1.26 -4.39 117.35 115.97 3h1l s TYR 134 Ca 0.15 1.38 -0.08 0.00 -1.01 0.00 0.00 57.07 57.51 3h1l s TYR 134 Cb 0.08 -3.71 0.03 0.00 -0.11 0.00 0.00 41.96 38.25 3h1l s TYR 134 CO 0.09 -2.26 0.39 0.00 -1.11 0.00 0.00 175.55 172.67 3h1l s ASP 136 N -1.94 7.52 0.36 0.00 1.01 -1.26 -4.47 116.67 117.89 3h1l s ASP 136 Ca 0.09 1.82 -0.27 0.00 0.71 0.00 0.00 52.55 54.90 3h1l s ASP 136 Cb -0.01 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 3h1l s ASP 136 CO 0.03 0.16 1.25 -2.16 0.21 0.00 0.00 175.17 174.66 3h1l s PRO 137 N -1.26 4.20 1.08 8.23 0.04 -1.26 -5.00 135.00 141.03 3h1l s PRO 137 Ca 0.40 2.07 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 3h1l s PRO 137 Cb -0.24 -2.90 0.23 0.00 0.04 0.00 0.00 34.50 31.63 3h1l s PRO 137 CO 0.29 -0.27 1.10 -1.25 0.04 0.00 0.00 177.00 176.91 3h1l s PRO 138 N -2.01 -0.22 0.16 0.56 0.04 -1.26 -4.89 135.00 127.38 3h1l s PRO 138 Ca 0.53 0.32 -0.33 0.00 0.04 0.00 0.00 61.00 61.55 3h1l s PRO 138 Cb -0.36 -1.68 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 3h1l s PRO 138 CO 0.47 -3.12 1.64 0.00 0.04 0.00 0.00 177.00 176.03 3h1l n ALA 139 N -4.41 1.77 -0.01 8.56 0.00 -1.26 -2.18 120.51 122.98 3h1l n ALA 139 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3h1l n ALA 139 Cb 0.58 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3h1l n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1l n GLY 140 N 3.65 1.01 3.46 0.00 0.00 -1.26 -5.04 105.19 107.00 3h1l n GLY 140 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3h1l n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1l s VAL 141 N -2.35 4.71 -0.24 1.61 1.01 -0.92 -5.07 120.40 119.14 3h1l s VAL 141 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 3h1l s VAL 141 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3h1l s VAL 141 CO 0.00 0.07 0.11 0.68 0.00 0.00 0.00 175.10 175.97 3h1l s VAL 142 N 1.63 4.87 -0.17 2.92 -7.23 -1.26 -4.71 120.40 116.44 3h1l s VAL 142 Ca 0.05 0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.06 3h1l s VAL 142 Cb -0.17 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 3h1l s VAL 142 CO 0.07 0.35 0.43 -0.69 -0.31 0.00 0.00 175.10 174.95 3h1l s VAL 143 N 1.21 5.19 0.54 1.32 1.01 -1.26 -5.04 120.40 123.38 3h1l s VAL 143 Ca 0.06 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 3h1l s VAL 143 Cb -0.14 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 3h1l s VAL 143 CO 0.05 0.27 0.81 -1.14 0.00 0.00 0.00 175.10 175.09 3h1l n ARG 144 N 4.20 0.84 -1.31 2.72 0.63 -1.26 -4.88 116.66 117.59 3h1l n ARG 144 Ca -0.08 0.32 -0.35 0.00 -0.92 0.00 0.00 57.85 56.83 3h1l n ARG 144 Cb 0.51 -1.95 0.11 0.00 0.45 0.00 0.00 32.46 31.58 3h1l n ARG 144 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3h1l s GLU 145 N -2.32 1.92 0.00 -0.14 2.12 -1.26 -2.16 118.70 116.86 3h1l s GLU 145 Ca 0.70 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.89 3h1l s GLU 145 Cb -0.46 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.13 3h1l s GLU 145 CO 0.52 -2.03 0.00 0.41 -0.54 0.00 0.00 175.26 173.62 3h1l n GLY 146 N 0.63 2.68 3.86 -1.50 0.00 -1.26 -4.97 105.19 104.63 3h1l n GLY 146 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3h1l n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1l s LEU 147 N 0.00 3.51 0.10 0.99 1.43 -0.92 -4.88 118.68 118.92 3h1l s LEU 147 Ca 0.00 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 3h1l s LEU 147 Cb 0.00 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3h1l s LEU 147 CO 0.00 -0.46 -0.16 -1.00 0.23 0.00 0.00 176.35 174.96 3h1l s HIS 148 N -2.37 1.44 -0.13 0.29 3.76 -0.43 -4.84 115.29 113.01 3h1l s HIS 148 Ca 0.44 -0.48 -0.21 0.00 -0.15 0.00 0.00 55.06 54.66 3h1l s HIS 148 Cb -0.05 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 3h1l s HIS 148 CO 0.27 0.13 0.59 -0.47 -0.85 0.00 0.00 174.74 174.42 3h1l s TYR 149 N -1.54 3.48 -0.07 1.40 5.04 -1.26 -1.05 117.35 123.36 3h1l s TYR 149 Ca 0.04 1.00 -0.03 0.00 -2.44 0.00 0.00 57.07 55.65 3h1l s TYR 149 Cb -0.08 -2.71 0.04 0.00 0.35 0.00 0.00 41.96 39.56 3h1l s TYR 149 CO 0.03 0.02 0.14 1.21 -1.34 0.00 0.00 175.55 175.62 3h1l s ASN 150 N 0.88 0.60 0.31 4.32 3.84 0.22 -3.18 114.94 121.93 3h1l s ASN 150 Ca 0.30 0.28 0.10 0.00 0.21 0.00 0.00 52.86 53.76 3h1l s ASN 150 Cb -0.16 0.19 0.49 0.00 -0.55 0.00 0.00 41.25 41.22 3h1l s ASN 150 CO 0.13 -0.22 1.70 1.55 -2.79 0.00 0.00 177.10 177.46 3h1l h PRO 151 N 8.11 0.04 0.00 0.43 0.13 -1.78 -3.18 132.00 135.75 3h1l h PRO 151 Ca -0.20 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 3h1l h PRO 151 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3h1l h PRO 151 CO 0.21 0.54 -0.15 1.88 -0.23 0.00 0.00 178.00 180.25 3h1l h TYR 152 N 0.04 0.00 -3.37 1.56 0.05 -1.86 -3.39 116.97 110.00 3h1l h TYR 152 Ca -0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 3h1l h TYR 152 Cb 0.91 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.60 3h1l h TYR 152 CO 0.00 0.15 0.10 0.12 -1.05 0.00 0.00 178.16 177.49 3h1l s PHE 153 N -3.68 3.60 -0.13 4.88 5.36 -1.20 -4.90 117.98 121.90 3h1l s PHE 153 Ca 0.01 1.28 -0.32 0.00 -0.96 0.00 0.00 56.93 56.94 3h1l s PHE 153 Cb 0.10 -2.81 -0.09 0.00 -0.34 0.00 0.00 43.02 39.88 3h1l s PHE 153 CO 0.61 0.11 2.05 -0.35 -1.46 0.00 0.00 175.22 176.17 3h1l n PRO 154 N 3.67 2.13 0.00 10.12 -0.04 -1.26 0.52 135.00 150.14 3h1l n PRO 154 Ca -0.01 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 3h1l n PRO 154 Cb 0.51 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 3h1l n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1l n GLY 155 N 5.14 2.36 4.26 0.55 0.00 -1.26 -4.67 105.19 111.56 3h1l n GLY 155 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3h1l n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1l n GLN 156 N -0.86 0.00 -3.49 1.61 3.00 0.18 -4.93 117.38 112.90 3h1l n GLN 156 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3h1l n GLN 156 Cb 0.00 -2.60 -0.08 0.00 0.00 0.00 0.00 30.24 27.56 3h1l n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1l s ALA 157 N -1.32 3.45 0.04 -1.58 0.00 -1.26 0.69 121.76 121.78 3h1l s ALA 157 Ca 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 51.96 49.53 3h1l s ALA 157 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3h1l s ALA 157 CO 0.00 -1.88 0.11 -1.50 0.00 0.00 0.00 175.76 172.49 3h1l s ILE 158 N 1.45 4.83 -2.29 0.00 2.07 -0.21 -4.85 121.20 122.21 3h1l s ILE 158 Ca 0.04 -0.52 0.29 0.00 -1.41 0.00 0.00 60.65 59.06 3h1l s ILE 158 Cb -0.26 -3.28 0.67 0.00 0.13 0.00 0.00 42.46 39.71 3h1l s ILE 158 CO 0.01 0.23 1.91 0.61 -1.91 0.00 0.00 174.94 175.79 3h1l n GLY 159 N 0.73 -0.39 3.43 1.50 0.00 -1.26 -1.32 105.19 107.88 3h1l n GLY 159 Ca -0.10 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 3h1l n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1l s MET 160 N -2.02 3.12 0.42 1.61 0.00 -1.26 -4.93 119.30 116.23 3h1l s MET 160 Ca 0.41 -0.88 -0.25 0.00 0.00 0.00 0.00 55.69 54.97 3h1l s MET 160 Cb 0.21 -3.69 -0.08 0.00 0.00 0.00 0.00 34.83 31.27 3h1l s MET 160 CO 0.35 -0.56 1.20 0.00 0.00 0.00 0.00 175.02 176.02 3h1l s ALA 161 N 1.61 3.13 -0.62 4.11 0.00 -1.26 -4.78 121.76 123.94 3h1l s ALA 161 Ca 0.04 1.03 -0.40 0.00 0.00 0.00 0.00 51.96 52.63 3h1l s ALA 161 Cb -0.18 -3.41 -0.19 0.00 0.00 0.00 0.00 23.12 19.34 3h1l s ALA 161 CO 0.07 -0.65 2.29 -2.30 0.00 0.00 0.00 175.76 175.17 3h1l n PRO 162 N -0.07 0.06 0.14 0.00 -0.02 -1.26 -4.82 135.00 129.03 3h1l n PRO 162 Ca 0.05 0.01 -0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3h1l n PRO 162 Cb 0.46 -1.56 0.27 0.00 -0.02 0.00 0.00 33.50 32.65 3h1l n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1l h PRO 163 N 10.00 0.10 -6.50 0.52 0.13 -1.90 -3.45 132.00 130.91 3h1l h PRO 163 Ca -0.10 -0.05 -0.70 0.00 -0.87 0.00 0.00 66.00 64.29 3h1l h PRO 163 Cb 1.39 -0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.24 3h1l h PRO 163 CO 1.16 0.52 -0.85 0.96 -0.23 0.00 0.00 178.00 179.57 3h1l s ILE 164 N -4.06 2.38 -0.02 -3.56 -4.36 -1.26 -5.05 121.20 105.26 3h1l s ILE 164 Ca -0.03 -0.98 -0.05 0.00 -0.26 0.00 0.00 60.65 59.33 3h1l s ILE 164 Cb 0.14 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3h1l s ILE 164 CO 0.75 0.58 0.11 -0.72 0.24 0.00 0.00 174.94 175.91 3h1l s TYR 165 N -0.63 -0.03 0.08 1.37 1.13 -1.26 -5.01 117.35 112.99 3h1l s TYR 165 Ca 0.10 0.08 -0.22 0.00 -1.41 0.00 0.00 57.07 55.62 3h1l s TYR 165 Cb -0.10 -0.01 -0.12 0.00 -1.10 0.00 0.00 41.96 40.62 3h1l s TYR 165 CO -0.00 -0.15 0.51 0.09 -2.51 0.00 0.00 175.55 173.48 3h1l n ASN 166 N 2.33 -0.49 0.00 -0.18 3.02 -1.26 -1.01 115.26 117.67 3h1l n ASN 166 Ca -0.17 0.77 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 3h1l n ASN 166 Cb 0.57 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3h1l n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1l n GLU 167 N 0.82 -1.59 0.27 3.52 1.02 -0.27 -4.78 120.64 119.63 3h1l n GLU 167 Ca 0.13 0.37 0.08 0.00 -0.02 0.00 0.00 57.16 57.72 3h1l n GLU 167 Cb 0.12 -4.70 0.45 0.00 -0.02 0.00 0.00 31.44 27.29 3h1l n GLU 167 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3h1l h ILE 168 N 0.00 0.00 -3.72 -3.67 2.10 -1.33 -3.40 117.51 107.49 3h1l h ILE 168 Ca 0.00 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 65.74 3h1l h ILE 168 Cb 0.74 0.37 -0.04 0.00 -1.09 0.00 0.00 36.82 36.79 3h1l h ILE 168 CO 0.00 0.00 -0.01 0.00 -1.08 0.00 0.00 178.15 177.06 3h1l n LEU 169 N -2.49 0.00 -3.75 2.19 -0.00 -1.26 -5.06 117.00 106.63 3h1l n LEU 169 Ca -0.01 -2.82 -0.25 0.00 -0.00 0.00 0.00 56.01 52.93 3h1l n LEU 169 Cb 0.53 3.02 -0.17 0.00 -0.00 0.00 0.00 43.42 46.79 3h1l n LEU 169 CO 0.07 -0.73 -0.37 -1.61 -0.00 0.00 0.00 177.39 174.75 3h1l s GLU 170 N -2.58 0.60 -0.13 1.47 2.02 -1.26 -4.86 118.70 113.96 3h1l s GLU 170 Ca 0.25 -0.09 -0.29 0.00 0.02 0.00 0.00 54.97 54.86 3h1l s GLU 170 Cb -0.02 -1.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.75 3h1l s GLU 170 CO 0.18 -0.44 1.62 0.71 0.02 0.00 0.00 175.26 177.35 3h1l s TYR 171 N 1.94 2.08 -2.00 1.61 4.12 -1.26 -4.83 117.35 119.01 3h1l s TYR 171 Ca 0.03 0.39 0.03 0.00 0.02 0.00 0.00 57.07 57.55 3h1l s TYR 171 Cb -0.14 -3.90 0.20 0.00 -1.52 0.00 0.00 41.96 36.60 3h1l s TYR 171 CO -0.06 -3.35 0.72 -0.40 0.02 0.00 0.00 175.55 172.47 3h1l n ASP 172 N 7.65 0.00 -0.66 2.29 5.68 -1.26 -1.58 116.55 128.67 3h1l n ASP 172 Ca 0.18 -0.98 0.10 0.00 -0.50 0.00 0.00 54.79 53.58 3h1l n ASP 172 Cb 0.44 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.47 3h1l n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1l n ASP 173 N -0.60 2.35 -0.02 -1.12 5.75 -1.26 -4.98 116.55 116.67 3h1l n ASP 173 Ca 0.03 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 3h1l n ASP 173 Cb 0.01 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3h1l n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1l n GLY 174 N 1.15 0.74 3.66 6.12 0.00 -0.61 -5.06 105.19 111.18 3h1l n GLY 174 Ca 0.10 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3h1l n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1l s THR 175 N -2.03 5.13 -0.67 2.61 2.01 -1.26 -5.00 115.64 116.43 3h1l s THR 175 Ca 0.00 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 3h1l s THR 175 Cb 0.00 -3.35 -0.14 0.00 0.01 0.00 0.00 72.50 69.02 3h1l s THR 175 CO 0.00 0.41 2.49 -2.65 -0.69 0.00 0.00 174.62 174.18 3h1l n PRO 176 N 3.84 0.62 -0.78 4.92 -0.02 -1.26 -4.47 135.00 137.86 3h1l n PRO 176 Ca -0.16 0.04 -0.26 0.00 -2.02 0.00 0.00 63.50 61.11 3h1l n PRO 176 Cb 0.52 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3h1l n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1l n ALA 177 N 12.77 4.03 -1.49 3.55 0.00 -1.26 -4.85 120.51 133.27 3h1l n ALA 177 Ca 0.49 -2.17 -0.30 0.00 0.00 0.00 0.00 53.44 51.47 3h1l n ALA 177 Cb 0.29 -3.12 0.20 0.00 0.00 0.00 0.00 19.45 16.81 3h1l n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h1l s THR 178 N 3.97 1.83 -0.01 0.00 -4.23 -1.26 -1.11 115.64 114.82 3h1l s THR 178 Ca 0.41 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.68 3h1l s THR 178 Cb 0.10 -2.73 -0.19 0.00 1.34 0.00 0.00 72.50 71.03 3h1l s THR 178 CO 0.01 0.00 1.24 -0.03 -0.54 0.00 0.00 174.62 175.30 3h1l h MET 179 N -2.02 0.17 0.00 3.99 4.05 -1.91 -2.63 114.93 116.58 3h1l h MET 179 Ca -0.46 -0.10 -0.10 0.00 -0.28 0.00 0.00 59.70 58.76 3h1l h MET 179 Cb 1.28 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.08 3h1l h MET 179 CO 0.41 0.67 -0.47 0.66 0.23 0.00 0.00 176.91 178.41 3h1l h SER 180 N -0.32 0.00 -0.73 1.39 4.64 -1.97 -1.76 113.55 114.79 3h1l h SER 180 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3h1l h SER 180 Cb 0.66 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 3h1l h SER 180 CO 0.02 0.47 0.47 -0.61 -0.87 0.00 0.00 176.83 176.31 3h1l h GLN 181 N 0.00 0.90 0.43 4.77 5.75 -1.87 0.17 115.11 125.26 3h1l h GLN 181 Ca -0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3h1l h GLN 181 Cb 0.91 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.26 3h1l h GLN 181 CO 0.06 0.59 -0.21 0.82 -2.65 0.00 0.00 178.83 177.45 3h1l h ILE 182 N 0.92 0.00 -0.88 2.39 2.04 -1.02 -2.43 117.51 118.53 3h1l h ILE 182 Ca 0.29 -0.11 0.20 0.00 1.00 0.00 0.00 64.86 66.24 3h1l h ILE 182 Cb -0.02 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.90 3h1l h ILE 182 CO -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 177.97 3h1l h ALA 183 N -1.63 0.82 -0.40 1.87 0.00 -1.20 0.68 119.26 119.40 3h1l h ALA 183 Ca -0.06 0.31 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3h1l h ALA 183 Cb 0.44 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3h1l h ALA 183 CO 0.10 -0.45 0.09 -0.22 0.00 0.00 0.00 179.25 178.77 3h1l h LYS 184 N 0.03 0.22 0.35 0.00 3.11 -0.68 -1.30 116.57 118.30 3h1l h LYS 184 Ca 0.47 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.28 3h1l h LYS 184 Cb 0.84 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 3h1l h LYS 184 CO -0.84 0.15 -0.17 -0.44 -2.81 0.00 0.00 179.45 175.33 3h1l h ASP 185 N 0.23 -0.40 -0.17 4.20 3.32 0.79 -2.46 116.42 121.92 3h1l h ASP 185 Ca 0.19 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.18 3h1l h ASP 185 Cb 0.21 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3h1l h ASP 185 CO -0.24 -0.11 0.13 1.62 -1.72 0.00 0.00 179.24 178.93 3h1l h VAL 186 N -0.69 0.81 -0.12 -1.35 3.04 -0.88 -0.04 116.25 117.01 3h1l h VAL 186 Ca -0.05 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.52 3h1l h VAL 186 Cb 0.49 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 3h1l h VAL 186 CO 0.08 0.00 -0.41 0.00 -1.01 0.00 0.00 177.57 176.23 3h1l h THR 188 N 0.10 0.78 0.01 0.00 2.02 -0.56 -1.40 112.91 113.86 3h1l h THR 188 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3h1l h THR 188 Cb 1.04 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3h1l h THR 188 CO 0.09 0.00 -0.01 0.15 0.37 0.00 0.00 175.52 176.12 3h1l h PHE 189 N 0.00 -0.02 0.00 3.16 3.57 -0.89 -3.01 116.94 119.75 3h1l h PHE 189 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3h1l h PHE 189 Cb 0.71 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3h1l h PHE 189 CO 0.00 0.61 0.09 1.28 -2.23 0.00 0.00 178.31 178.07 3h1l n LEU 190 N -4.79 0.15 -0.08 0.59 4.77 -0.41 -0.38 117.00 116.86 3h1l n LEU 190 Ca -0.09 0.50 -0.08 0.00 -0.03 0.00 0.00 56.01 56.31 3h1l n LEU 190 Cb 0.32 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3h1l n LEU 190 CO 0.33 -0.55 -0.35 -0.09 -1.33 0.00 0.00 177.39 175.40 3h1l h ARG 191 N 0.00 0.00 -0.98 3.23 9.65 -1.47 -2.95 114.38 121.86 3h1l h ARG 191 Ca 0.00 0.00 0.25 0.00 -1.10 0.00 0.00 59.98 59.13 3h1l h ARG 191 Cb 0.18 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 28.64 3h1l h ARG 191 CO 0.00 0.25 0.56 2.35 2.80 0.00 0.00 179.97 185.93 3h1l h TRP 192 N -1.00 0.94 -0.53 2.20 7.01 -1.00 -0.19 115.95 123.37 3h1l h TRP 192 Ca -0.08 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.88 3h1l h TRP 192 Cb 0.67 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 3h1l h TRP 192 CO -0.12 0.02 0.05 0.00 -2.79 0.00 0.00 178.44 175.60 3h1l h ALA 193 N 1.74 0.71 0.00 2.65 0.00 -0.83 -2.07 119.26 121.46 3h1l h ALA 193 Ca 0.64 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3h1l h ALA 193 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h1l h ALA 193 CO -0.50 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3h1l n ALA 194 N -2.43 2.35 -2.65 0.00 0.00 -0.14 -4.51 120.51 113.13 3h1l n ALA 194 Ca 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 3h1l n ALA 194 Cb 0.29 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.38 3h1l n ALA 194 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3h1l n GLU 195 N -1.14 0.01 -0.14 0.00 0.28 -0.86 -4.94 120.64 113.86 3h1l n GLU 195 Ca 0.16 -0.53 0.19 0.00 -0.16 0.00 0.00 57.16 56.81 3h1l n GLU 195 Cb 0.14 0.32 0.58 0.00 1.43 0.00 0.00 31.44 33.91 3h1l n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3h1l h PRO 196 N 3.74 0.25 -0.52 3.44 0.11 -1.61 -1.67 132.00 135.74 3h1l h PRO 196 Ca -0.08 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.08 3h1l h PRO 196 Cb 1.19 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3h1l h PRO 196 CO -0.18 0.17 0.19 1.05 -0.21 0.00 0.00 178.00 179.02 3h1l h GLU 197 N 0.26 0.35 0.00 1.05 9.09 -1.96 -3.36 114.58 120.02 3h1l h GLU 197 Ca 0.36 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.75 3h1l h GLU 197 Cb 1.03 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 3h1l h GLU 197 CO -0.08 0.23 0.00 1.58 0.05 0.00 0.00 179.01 180.79 3h1l n HIS 198 N -5.00 0.00 0.08 2.06 -0.00 -0.63 0.97 115.22 112.70 3h1l n HIS 198 Ca 0.06 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.12 3h1l n HIS 198 Cb 0.21 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.03 3h1l n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3h1l h ASP 199 N 0.00 -0.40 -0.23 0.26 5.19 -1.86 -2.30 116.42 117.09 3h1l h ASP 199 Ca 0.00 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 3h1l h ASP 199 Cb 0.00 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 3h1l h ASP 199 CO 0.00 -0.21 -0.07 -0.61 -3.12 0.00 0.00 179.24 175.24 3h1l h GLN 200 N -0.27 0.58 -0.13 3.56 4.15 0.33 -1.65 115.11 121.68 3h1l h GLN 200 Ca 0.03 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3h1l h GLN 200 Cb 0.30 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3h1l h GLN 200 CO -0.10 0.65 0.07 -0.09 -1.93 0.00 0.00 178.83 177.43 3h1l h ARG 201 N 0.54 0.17 0.03 1.69 2.43 -1.19 -1.08 114.38 116.97 3h1l h ARG 201 Ca 0.11 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.98 3h1l h ARG 201 Cb 0.45 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3h1l h ARG 201 CO 0.02 0.13 -1.59 0.87 -1.51 0.00 0.00 179.97 177.90 3h1l h LYS 202 N 0.18 0.06 -0.70 0.20 1.57 -0.89 -2.34 116.57 114.65 3h1l h LYS 202 Ca 0.05 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3h1l h LYS 202 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3h1l h LYS 202 CO -0.01 0.74 0.24 -0.09 -0.57 0.00 0.00 179.45 179.76 3h1l h ARG 203 N 0.02 1.05 0.32 3.15 2.43 -0.79 -1.74 114.38 118.83 3h1l h ARG 203 Ca -0.24 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3h1l h ARG 203 Cb 1.97 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 3h1l h ARG 203 CO 0.10 0.88 -0.16 0.52 -1.51 0.00 0.00 179.97 179.81 3h1l h MET 204 N 1.02 -0.42 -1.34 0.20 2.86 -1.28 -2.43 114.93 113.55 3h1l h MET 204 Ca 0.23 0.03 0.40 0.00 -2.06 0.00 0.00 59.70 58.29 3h1l h MET 204 Cb 0.26 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 31.92 3h1l h MET 204 CO -0.01 -0.17 0.91 0.78 1.06 0.00 0.00 176.91 179.48 3h1l h GLY 205 N -0.61 0.69 0.55 8.32 0.00 -1.01 0.49 103.07 111.49 3h1l h GLY 205 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3h1l h GLY 205 CO 0.07 -0.16 -0.26 -2.00 0.00 0.00 0.00 176.54 174.19 3h1l h LEU 206 N 0.11 -0.62 -0.93 3.11 5.85 -0.87 -2.06 115.31 119.91 3h1l h LEU 206 Ca 0.72 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.69 3h1l h LEU 206 Cb 2.46 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 43.53 3h1l h LEU 206 CO -0.20 -0.28 0.46 0.11 -0.34 0.00 0.00 178.44 178.18 3h1l h LYS 207 N -1.07 0.45 -0.41 1.25 1.57 -0.39 -0.31 116.57 117.66 3h1l h LYS 207 Ca -0.08 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3h1l h LYS 207 Cb 0.56 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3h1l h LYS 207 CO 0.12 0.30 0.23 1.98 -0.57 0.00 0.00 179.45 181.51 3h1l h MET 208 N 0.46 0.45 -0.08 3.15 4.05 -0.08 -2.01 114.93 120.87 3h1l h MET 208 Ca 0.58 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.98 3h1l h MET 208 Cb 1.10 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.79 3h1l h MET 208 CO -0.51 0.30 0.05 -0.07 0.23 0.00 0.00 176.91 176.91 3h1l h LEU 209 N 0.47 0.09 0.60 3.39 3.38 -0.32 0.17 115.31 123.08 3h1l h LEU 209 Ca 0.17 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3h1l h LEU 209 Cb 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3h1l h LEU 209 CO -0.09 0.08 -0.41 -0.07 0.09 0.00 0.00 178.44 178.04 3h1l h LEU 210 N 0.10 -1.06 -0.54 1.67 3.38 -1.31 0.42 115.31 117.97 3h1l h LEU 210 Ca 0.03 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3h1l h LEU 210 Cb 0.00 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3h1l h LEU 210 CO -0.01 -0.62 0.29 0.40 0.09 0.00 0.00 178.44 178.59 3h1l h ILE 211 N -0.97 0.97 -0.64 1.22 1.08 -1.37 -0.35 117.51 117.46 3h1l h ILE 211 Ca -0.07 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 3h1l h ILE 211 Cb 0.80 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 3h1l h ILE 211 CO 0.04 0.10 0.34 -1.28 -0.69 0.00 0.00 178.15 176.67 3h1l h SER 212 N 0.56 0.49 0.93 1.72 0.87 -0.42 0.38 113.55 118.08 3h1l h SER 212 Ca 0.24 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 3h1l h SER 212 Cb 0.13 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3h1l h SER 212 CO -0.15 0.32 -0.46 0.00 -0.53 0.00 0.00 176.83 176.01 3h1l h ALA 213 N 1.34 -1.34 -0.39 6.23 0.00 0.53 -0.79 119.26 124.85 3h1l h ALA 213 Ca 0.29 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3h1l h ALA 213 Cb 0.20 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3h1l h ALA 213 CO -0.19 -1.25 -0.15 1.25 0.00 0.00 0.00 179.25 178.91 3h1l h LEU 214 N -1.26 -0.52 -0.15 0.00 5.85 -0.84 -2.75 115.31 115.64 3h1l h LEU 214 Ca -0.13 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3h1l h LEU 214 Cb 0.97 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3h1l h LEU 214 CO 0.21 -0.18 -0.03 0.25 -0.34 0.00 0.00 178.44 178.35 3h1l h LEU 215 N -0.07 0.29 -0.99 2.25 5.85 -0.23 -2.13 115.31 120.28 3h1l h LEU 215 Ca 0.19 -0.35 0.15 0.00 0.84 0.00 0.00 57.88 58.71 3h1l h LEU 215 Cb 0.36 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 3h1l h LEU 215 CO -0.44 0.57 0.61 0.74 -0.34 0.00 0.00 178.44 179.58 3h1l h THR 216 N -0.00 0.83 0.60 1.05 2.02 -1.07 -1.46 112.91 114.88 3h1l h THR 216 Ca 0.04 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3h1l h THR 216 Cb 0.44 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3h1l h THR 216 CO 0.01 0.16 -0.29 0.28 0.37 0.00 0.00 175.52 176.06 3h1l h SER 217 N 0.89 -0.68 -0.87 4.18 0.02 -1.31 -1.09 113.55 114.70 3h1l h SER 217 Ca 0.52 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.62 3h1l h SER 217 Cb 0.64 0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.22 3h1l h SER 217 CO -0.31 -0.47 -0.42 -0.07 -1.14 0.00 0.00 176.83 174.42 3h1l h LEU 218 N -0.83 -1.52 -1.82 5.07 3.38 -1.06 0.25 115.31 118.78 3h1l h LEU 218 Ca -0.08 0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3h1l h LEU 218 Cb 0.61 0.75 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3h1l h LEU 218 CO 0.13 -0.29 -0.15 -0.07 0.09 0.00 0.00 178.44 178.16 3h1l h LEU 219 N -0.06 0.00 -0.95 1.67 3.38 -1.26 -2.09 115.31 115.99 3h1l h LEU 219 Ca 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 3h1l h LEU 219 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3h1l h LEU 219 CO -0.89 0.15 -0.30 0.22 0.09 0.00 0.00 178.44 177.71 3h1l h TYR 220 N 0.00 0.45 0.43 1.13 5.03 0.83 -0.93 116.97 123.91 3h1l h TYR 220 Ca -0.00 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.18 3h1l h TYR 220 Cb 0.33 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.50 3h1l h TYR 220 CO 0.00 0.66 -0.20 -0.92 -1.32 0.00 0.00 178.16 176.38 3h1l h TYR 221 N 0.35 -0.53 -0.99 -3.82 3.20 -0.86 -2.35 116.97 111.97 3h1l h TYR 221 Ca 0.05 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.13 3h1l h TYR 221 Cb 0.71 0.18 -0.09 0.00 1.54 0.00 0.00 36.73 39.06 3h1l h TYR 221 CO 0.02 -0.22 0.63 0.52 -1.64 0.00 0.00 178.16 177.47 3h1l h MET 222 N -1.02 0.50 -0.31 1.82 2.86 -1.31 0.91 114.93 118.38 3h1l h MET 222 Ca -0.06 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3h1l h MET 222 Cb 0.55 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3h1l h MET 222 CO 0.10 0.33 -0.20 -0.22 1.06 0.00 0.00 176.91 177.97 3h1l h LYS 223 N 0.52 0.69 -0.39 1.72 3.11 -1.18 -2.51 116.57 118.54 3h1l h LYS 223 Ca 0.55 -0.32 -0.12 0.00 -2.81 0.00 0.00 60.65 57.95 3h1l h LYS 223 Cb 1.21 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 3h1l h LYS 223 CO -0.29 0.93 -0.24 0.00 -2.81 0.00 0.00 179.45 177.04 3h1l h ARG 224 N 0.45 0.84 -0.01 1.90 2.47 -0.27 -2.39 114.38 117.37 3h1l h ARG 224 Ca 0.06 -0.39 0.02 0.00 -1.26 0.00 0.00 59.98 58.41 3h1l h ARG 224 Cb 0.75 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 3h1l h ARG 224 CO 0.06 1.03 -0.39 1.25 0.56 0.00 0.00 179.97 182.48 3h1l h HIS 225 N 0.65 -1.13 0.47 3.04 2.76 0.78 0.31 115.15 122.02 3h1l h HIS 225 Ca 0.08 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3h1l h HIS 225 Cb 0.80 0.50 -0.02 0.00 1.55 0.00 0.00 27.41 30.24 3h1l h HIS 225 CO 0.06 -0.41 -0.48 0.87 -1.30 0.00 0.00 177.93 176.67 3h1l h LYS 226 N -0.48 -0.92 -0.78 5.26 1.79 -1.50 -2.82 116.57 117.12 3h1l h LYS 226 Ca 0.01 0.06 0.23 0.00 -2.18 0.00 0.00 60.65 58.77 3h1l h LYS 226 Cb 0.51 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 3h1l h LYS 226 CO -0.26 -0.62 0.56 -1.49 -1.08 0.00 0.00 179.45 176.56 3h1l h TRP 227 N -0.96 0.00 -1.00 -1.35 4.06 -1.21 -2.83 115.95 112.67 3h1l h TRP 227 Ca -0.05 0.00 0.20 0.00 2.06 0.00 0.00 58.89 61.10 3h1l h TRP 227 Cb 0.84 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 28.81 3h1l h TRP 227 CO -0.25 0.00 -0.24 0.66 -3.56 0.00 0.00 178.44 175.04 3h1l h SER 228 N 0.00 -0.92 -0.94 -3.49 4.64 -0.11 0.73 113.55 113.46 3h1l h SER 228 Ca 0.37 0.30 0.28 0.00 -0.47 0.00 0.00 61.79 62.27 3h1l h SER 228 Cb 1.49 0.62 -0.17 0.00 -0.31 0.00 0.00 62.40 64.02 3h1l h SER 228 CO -0.00 -0.33 0.11 0.52 -0.87 0.00 0.00 176.83 176.25 3h1l n VAL 229 N -5.63 -0.40 0.04 0.95 0.31 -1.07 0.25 118.33 112.79 3h1l n VAL 229 Ca 0.16 2.05 -0.02 0.00 -0.01 0.00 0.00 64.34 66.52 3h1l n VAL 229 Cb 0.51 -3.05 -0.08 0.00 -0.91 0.00 0.00 33.84 30.31 3h1l n VAL 229 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h1l h LEU 230 N 0.00 0.00 -0.10 7.52 3.38 0.15 -3.22 115.31 123.03 3h1l h LEU 230 Ca 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.55 3h1l h LEU 230 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 3h1l h LEU 230 CO -0.86 0.70 -0.06 0.11 0.09 0.00 0.00 178.44 178.43 3h1l h LYS 231 N 0.00 0.22 0.00 1.13 1.79 0.18 -3.23 116.57 116.66 3h1l h LYS 231 Ca -0.14 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.16 3h1l h LYS 231 Cb 1.66 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.30 3h1l h LYS 231 CO 0.07 0.58 -0.31 0.66 -1.08 0.00 0.00 179.45 179.37 3h1l h SER 232 N -0.14 0.00 -0.63 0.86 4.64 -1.24 -3.48 113.55 113.55 3h1l h SER 232 Ca 0.02 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.90 3h1l h SER 232 Cb 0.52 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.67 3h1l h SER 232 CO 0.02 0.31 -0.24 -1.14 -0.87 0.00 0.00 176.83 174.90 3h1l n ARG 233 N -3.30 0.00 -4.59 4.77 0.63 -1.22 -4.99 116.66 107.96 3h1l n ARG 233 Ca 0.01 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.71 3h1l n ARG 233 Cb 0.55 -0.71 -0.16 0.00 0.45 0.00 0.00 32.46 32.59 3h1l n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1l s LYS 234 N -0.47 1.36 0.08 -0.14 1.02 -1.26 -5.08 119.74 115.24 3h1l s LYS 234 Ca 0.45 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 56.04 3h1l s LYS 234 Cb -0.64 -1.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 3h1l s LYS 234 CO 0.36 0.16 -0.10 0.00 -0.92 0.00 0.00 175.35 174.84 3h1l s MET 235 N 0.17 0.75 0.00 1.68 0.23 -1.26 -5.16 119.30 115.71 3h1l s MET 235 Ca -0.04 -1.00 -0.03 0.00 -1.03 0.00 0.00 55.69 53.59 3h1l s MET 235 Cb -0.10 -0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 32.66 3h1l s MET 235 CO 0.01 0.10 0.06 0.00 -2.03 0.00 0.00 175.02 173.15 3h1l s ALA 236 N -1.89 -0.11 -0.44 3.16 0.00 -1.26 -5.12 121.76 116.09 3h1l s ALA 236 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 3h1l s ALA 236 Cb -0.06 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.19 3h1l s ALA 236 CO 0.01 -0.14 0.32 -0.47 0.00 0.00 0.00 175.76 175.48 3h1l s TYR 237 N -1.00 3.29 -0.80 0.00 5.04 -1.26 -5.00 117.35 117.62 3h1l s TYR 237 Ca -0.11 -1.24 0.02 0.00 -2.44 0.00 0.00 57.07 53.30 3h1l s TYR 237 Cb -0.06 -3.04 0.23 0.00 0.35 0.00 0.00 41.96 39.44 3h1l s TYR 237 CO 0.00 -0.82 0.82 0.54 -1.34 0.00 0.00 175.55 174.75 3h1l n ARG 238 N 5.05 2.73 -1.26 4.97 1.74 -1.26 -5.07 116.66 123.56 3h1l n ARG 238 Ca -0.11 -4.56 -0.34 0.00 -0.77 0.00 0.00 57.85 52.06 3h1l n ARG 238 Cb 0.43 -2.35 0.11 0.00 -1.02 0.00 0.00 32.46 29.64 3h1l n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3h1l s PRO 239 N -2.00 1.84 0.57 5.56 0.04 -1.26 -4.96 135.00 134.80 3h1l s PRO 239 Ca 0.32 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 3h1l s PRO 239 Cb 0.03 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 3h1l s PRO 239 CO -0.06 -2.07 1.01 -1.25 0.04 0.00 0.00 177.00 174.67 3h1l s PRO 240 N -3.99 3.76 0.00 0.56 0.04 -1.26 -5.33 135.00 128.78 3h1l s PRO 240 Ca 0.75 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3h1l s PRO 240 Cb -0.30 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3h1l s PRO 240 CO 0.48 -0.44 0.34 1.17 0.04 0.00 0.00 177.00 178.59