#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 2.54 -4.30 1.61 2.13 -1.26 -4.87 120.64 116.50 3h1l n GLU 2 Ca 0.00 -2.37 -0.24 0.00 0.66 0.00 0.00 57.16 55.21 3h1l n GLU 2 Cb 0.00 -1.51 -0.08 0.00 0.27 0.00 0.00 31.44 30.12 3h1l n GLU 2 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3h1l s LEU 3 N -1.31 3.04 0.00 4.31 2.34 -1.26 -5.15 118.68 120.66 3h1l s LEU 3 Ca 0.40 -0.92 -0.22 0.00 0.06 0.00 0.00 54.13 53.45 3h1l s LEU 3 Cb 0.23 -1.45 0.05 0.00 -0.56 0.00 0.00 46.19 44.46 3h1l s LEU 3 CO 0.31 -0.22 0.48 -1.83 -1.06 0.00 0.00 176.35 174.03 3h1l s GLU 4 N -3.73 0.91 -0.22 1.48 -1.05 -1.26 -4.86 118.70 109.98 3h1l s GLU 4 Ca 0.35 -0.11 -0.11 0.00 -0.15 0.00 0.00 54.97 54.95 3h1l s GLU 4 Cb -0.01 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 3h1l s GLU 4 CO 0.20 -0.29 0.17 -1.17 0.95 0.00 0.00 175.26 175.12 3h1l s LEU 5 N -1.57 4.15 -0.10 1.83 2.96 -1.26 -5.08 118.68 119.61 3h1l s LEU 5 Ca -0.09 0.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.87 3h1l s LEU 5 Cb -0.02 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3h1l s LEU 5 CO 0.03 0.09 0.32 -1.00 -1.32 0.00 0.00 176.35 174.48 3h1l s HIS 6 N 0.83 3.57 0.85 5.38 3.76 -1.26 -4.76 115.29 123.65 3h1l s HIS 6 Ca 0.09 0.74 -0.11 0.00 -0.15 0.00 0.00 55.06 55.63 3h1l s HIS 6 Cb -0.13 -2.29 0.11 0.00 1.11 0.00 0.00 32.58 31.38 3h1l s HIS 6 CO 0.03 0.43 1.14 -1.25 -0.85 0.00 0.00 174.74 174.23 3h1l s PRO 7 N -0.21 1.51 0.38 8.40 0.04 -1.26 -5.05 135.00 138.82 3h1l s PRO 7 Ca 0.19 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 3h1l s PRO 7 Cb -0.14 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.69 3h1l s PRO 7 CO 0.07 -2.25 0.53 -0.35 0.04 0.00 0.00 177.00 175.03 3h1l n PRO 8 N -3.83 -0.23 -3.92 0.56 -0.04 -1.26 -5.02 135.00 121.26 3h1l n PRO 8 Ca 0.11 -1.01 -0.33 0.00 -0.04 0.00 0.00 63.50 62.23 3h1l n PRO 8 Cb 0.52 -0.48 -0.14 0.00 -0.04 0.00 0.00 33.50 33.37 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 -3.58 3.08 0.54 0.55 0.00 -1.26 -4.84 121.76 116.25 3h1l s ALA 9 Ca 0.31 -2.71 -0.18 0.00 0.00 0.00 0.00 51.96 49.38 3h1l s ALA 9 Cb -0.01 -2.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 3h1l s ALA 9 CO 0.22 -1.80 1.03 -0.06 0.00 0.00 0.00 175.76 175.15 3h1l s PHE 10 N 0.69 3.08 -1.27 0.00 0.40 -1.26 -4.97 117.98 114.65 3h1l s PHE 10 Ca 0.12 1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 57.85 3h1l s PHE 10 Cb -0.21 -2.99 0.14 0.00 0.51 0.00 0.00 43.02 40.47 3h1l s PHE 10 CO -0.05 -0.85 1.71 -0.35 0.70 0.00 0.00 175.22 176.37 3h1l n PRO 11 N -1.53 3.37 -2.05 0.24 -0.04 -1.26 -5.01 135.00 128.71 3h1l n PRO 11 Ca 0.08 -3.53 -0.40 0.00 -0.04 0.00 0.00 63.50 59.61 3h1l n PRO 11 Cb 0.53 -3.10 -0.01 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 1.77 2.93 0.65 0.54 0.52 -1.26 -4.87 118.94 119.22 3h1l s TRP 12 Ca 0.44 1.38 0.36 0.00 0.02 0.00 0.00 56.10 58.29 3h1l s TRP 12 Cb 0.04 -3.73 1.98 0.00 -1.15 0.00 0.00 33.47 30.60 3h1l s TRP 12 CO 0.01 -2.08 2.15 0.66 0.02 0.00 0.00 176.95 177.70 3h1l h SER 13 N 3.19 0.00 -0.44 2.95 4.64 -1.95 -0.39 113.55 121.54 3h1l h SER 13 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3h1l h SER 13 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3h1l h SER 13 CO 0.65 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 3h1l n HIS 14 N -3.14 1.27 0.14 4.77 -0.00 -1.25 -4.52 115.22 112.49 3h1l n HIS 14 Ca -0.02 -0.72 0.02 0.00 -0.00 0.00 0.00 57.72 57.00 3h1l n HIS 14 Cb 0.24 -0.30 0.11 0.00 -0.00 0.00 0.00 29.99 30.04 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 2.91 0.00 -2.31 -1.39 0.00 -1.32 -3.46 103.07 97.51 3h1l h GLY 15 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3h1l h GLY 15 CO 0.25 0.00 0.48 -0.32 0.00 0.00 0.00 176.54 176.96 3h1l s GLY 16 N -4.47 2.75 0.60 4.60 0.00 -1.26 -4.91 107.32 104.62 3h1l s GLY 16 Ca 0.02 1.00 0.37 0.00 0.00 0.00 0.00 44.72 46.11 3h1l s GLY 16 CO 0.74 1.41 2.18 -0.56 0.00 0.00 0.00 173.10 176.87 3h1l h PRO 17 N 1.26 0.00 -0.10 2.90 0.13 -1.99 -1.94 132.00 132.26 3h1l h PRO 17 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3h1l h PRO 17 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3h1l h PRO 17 CO 0.57 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.64 3h1l n LEU 18 N -3.21 2.26 -4.56 1.56 4.77 -1.26 -4.82 117.00 111.74 3h1l n LEU 18 Ca -0.02 -2.02 -0.41 0.00 -0.03 0.00 0.00 56.01 53.54 3h1l n LEU 18 Cb 0.18 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 3h1l n LEU 18 CO 0.25 0.57 0.12 -0.44 -1.33 0.00 0.00 177.39 176.56 3h1l s SER 19 N -1.03 6.25 1.20 -1.43 0.01 -0.73 -4.99 113.70 112.98 3h1l s SER 19 Ca 0.07 -0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.09 3h1l s SER 19 Cb 0.04 -2.23 0.29 0.00 0.21 0.00 0.00 66.02 64.33 3h1l s SER 19 CO 0.04 -0.37 1.12 0.00 0.41 0.00 0.00 173.24 174.45 3h1l n ALA 20 N 5.52 -3.06 -2.17 1.44 0.00 -1.26 -4.57 120.51 116.40 3h1l n ALA 20 Ca -0.07 -1.63 -0.34 0.00 0.00 0.00 0.00 53.44 51.40 3h1l n ALA 20 Cb 0.49 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 3h1l n ALA 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1l s LEU 21 N 0.00 4.22 -0.89 0.00 1.43 -1.26 -3.91 118.68 118.28 3h1l s LEU 21 Ca 0.71 1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 54.85 3h1l s LEU 21 Cb -0.06 -3.74 0.05 0.00 0.03 0.00 0.00 46.19 42.47 3h1l s LEU 21 CO 0.54 -0.06 1.34 -0.62 0.23 0.00 0.00 176.35 177.78 3h1l s ASP 22 N -1.95 6.35 0.32 2.29 2.15 -1.26 -4.83 116.67 119.75 3h1l s ASP 22 Ca 0.47 -1.06 0.16 0.00 0.43 0.00 0.00 52.55 52.55 3h1l s ASP 22 Cb -0.14 -2.55 0.85 0.00 -0.30 0.00 0.00 42.92 40.79 3h1l s ASP 22 CO 0.19 -1.62 1.41 1.41 -0.17 0.00 0.00 175.17 176.39 3h1l n HIS 23 N 8.92 0.53 0.10 -5.34 8.25 -1.26 -0.30 115.22 126.12 3h1l n HIS 23 Ca 0.19 0.28 -0.22 0.00 -0.26 0.00 0.00 57.72 57.70 3h1l n HIS 23 Cb 0.50 -0.81 -0.15 0.00 1.12 0.00 0.00 29.99 30.65 3h1l n HIS 23 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3h1l h SER 24 N 0.00 0.66 1.03 0.41 0.02 -1.92 -2.96 113.55 110.78 3h1l h SER 24 Ca 0.00 -0.94 -0.00 0.00 -0.84 0.00 0.00 61.79 60.01 3h1l h SER 24 Cb 0.41 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 3h1l h SER 24 CO 0.00 1.56 -0.02 -1.28 -1.14 0.00 0.00 176.83 175.94 3h1l h SER 25 N -0.12 0.00 0.45 3.07 0.87 -1.05 -2.93 113.55 113.85 3h1l h SER 25 Ca -0.20 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.05 3h1l h SER 25 Cb 1.91 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.88 3h1l h SER 25 CO 0.21 0.02 -1.44 0.58 -0.53 0.00 0.00 176.83 175.68 3h1l h VAL 26 N 0.00 1.29 -0.69 2.23 2.07 -1.43 -1.36 116.25 118.34 3h1l h VAL 26 Ca -0.00 -2.85 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 3h1l h VAL 26 Cb 0.54 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 3h1l h VAL 26 CO 0.00 0.85 0.39 -0.09 0.02 0.00 0.00 177.57 178.74 3h1l h ARG 27 N 0.09 0.95 0.00 1.57 2.43 -1.34 -0.03 114.38 118.05 3h1l h ARG 27 Ca -0.22 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3h1l h ARG 27 Cb 2.04 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 3h1l h ARG 27 CO 0.20 0.69 -0.00 0.00 -1.51 0.00 0.00 179.97 179.35 3h1l h ARG 28 N 0.96 -0.00 -0.88 0.20 3.08 -1.58 -2.85 114.38 113.31 3h1l h ARG 28 Ca 0.25 0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.53 3h1l h ARG 28 Cb -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.91 3h1l h ARG 28 CO -0.04 0.60 0.30 0.78 -1.07 0.00 0.00 179.97 180.53 3h1l h GLY 29 N -0.60 1.43 0.63 0.04 0.00 -0.70 0.21 103.07 104.09 3h1l h GLY 29 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.28 3h1l h GLY 29 CO 0.00 -0.34 -0.02 -2.75 0.00 0.00 0.00 176.54 173.43 3h1l h PHE 30 N 0.27 -0.05 -0.81 5.60 3.57 -0.98 -1.16 116.94 123.38 3h1l h PHE 30 Ca 0.56 0.02 0.07 0.00 3.53 0.00 0.00 57.97 62.14 3h1l h PHE 30 Cb 1.11 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.84 3h1l h PHE 30 CO -0.21 -0.06 0.49 0.37 -2.23 0.00 0.00 178.31 176.67 3h1l h GLN 31 N 0.04 0.85 0.06 1.11 4.15 -0.41 0.46 115.11 121.36 3h1l h GLN 31 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3h1l h GLN 31 Cb 0.14 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3h1l h GLN 31 CO -0.19 0.56 -0.07 0.28 -1.93 0.00 0.00 178.83 177.49 3h1l h VAL 32 N 0.88 0.84 0.25 2.39 2.07 -0.45 0.24 116.25 122.47 3h1l h VAL 32 Ca 0.36 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 3h1l h VAL 32 Cb 0.20 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3h1l h VAL 32 CO -0.18 0.00 -0.12 0.22 0.02 0.00 0.00 177.57 177.50 3h1l h TYR 33 N -0.14 -0.31 -0.95 1.57 3.20 -0.50 0.38 116.97 120.22 3h1l h TYR 33 Ca 0.01 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3h1l h TYR 33 Cb 0.15 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.43 3h1l h TYR 33 CO -0.11 -0.16 0.56 -0.22 -1.64 0.00 0.00 178.16 176.59 3h1l h LYS 34 N -0.38 0.81 -0.01 1.82 3.64 0.06 0.27 116.57 122.79 3h1l h LYS 34 Ca -0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3h1l h LYS 34 Cb 0.29 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3h1l h LYS 34 CO 0.06 0.54 -0.55 1.04 -2.27 0.00 0.00 179.45 178.26 3h1l n GLN 35 N -4.72 1.15 0.05 1.90 6.02 0.06 -4.63 117.38 117.21 3h1l n GLN 35 Ca 0.19 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 3h1l n GLN 35 Cb 0.41 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 -0.36 0.28 0.07 5.09 0.31 0.12 -4.93 118.33 118.90 3h1l n VAL 36 Ca 0.07 0.09 -0.18 0.00 -0.01 0.00 0.00 64.34 64.31 3h1l n VAL 36 Cb 0.41 -0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 32.28 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 -3.79 0.00 0.15 0.00 3.41 0.91 -0.14 113.62 114.16 3h1l n SER 38 Ca -0.10 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.58 3h1l n SER 38 Cb 0.90 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.91 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 1.73 0.75 0.00 7.33 0.00 -1.81 -3.39 119.26 123.86 3h1l h ALA 39 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h1l h ALA 39 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h1l h ALA 39 CO 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 3h1l s HIS 41 N -0.03 3.08 0.56 0.00 3.76 0.80 -4.65 115.29 118.82 3h1l s HIS 41 Ca 0.00 -0.78 -0.15 0.00 -0.15 0.00 0.00 55.06 53.99 3h1l s HIS 41 Cb 0.00 -2.21 -0.06 0.00 1.11 0.00 0.00 32.58 31.42 3h1l s HIS 41 CO 0.00 -0.49 1.01 -1.54 -0.85 0.00 0.00 174.74 172.87 3h1l s SER 42 N 1.53 6.36 -0.39 1.40 1.04 -1.26 -4.26 113.70 118.13 3h1l s SER 42 Ca 0.05 1.56 0.10 0.00 0.48 0.00 0.00 55.95 58.14 3h1l s SER 42 Cb -0.16 -2.50 0.30 0.00 0.10 0.00 0.00 66.02 63.76 3h1l s SER 42 CO 0.02 -0.77 0.66 0.80 0.98 0.00 0.00 173.24 174.93 3h1l n MET 43 N -2.01 0.85 0.10 4.02 0.00 -1.26 -0.73 117.12 118.10 3h1l n MET 43 Ca 0.07 -3.17 0.20 0.00 0.00 0.00 0.00 57.70 54.80 3h1l n MET 43 Cb 0.54 -1.44 0.76 0.00 0.00 0.00 0.00 33.22 33.07 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 3.49 0.00 -0.71 6.12 3.32 -1.94 -3.02 116.42 123.68 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 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3h1l h ASP 44 CO 0.46 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.76 3h1l n TYR 45 N -3.83 1.02 -4.34 4.55 4.02 -1.26 -4.79 117.16 112.53 3h1l n TYR 45 Ca 0.06 -0.51 -0.27 0.00 -0.01 0.00 0.00 57.90 57.17 3h1l n TYR 45 Cb 0.55 -0.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.10 2.81 0.01 -0.72 1.01 -1.14 -5.07 120.40 116.20 3h1l s VAL 46 Ca 0.48 -1.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 3h1l s VAL 46 Cb 0.26 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3h1l s VAL 46 CO 0.32 -0.08 0.17 0.00 0.00 0.00 0.00 175.10 175.51 3h1l s ALA 47 N -1.59 -0.39 0.54 5.51 0.00 -1.26 -2.11 121.76 122.46 3h1l s ALA 47 Ca 0.22 -0.09 0.45 0.00 0.00 0.00 0.00 51.96 52.54 3h1l s ALA 47 Cb -0.09 0.13 1.66 0.00 0.00 0.00 0.00 23.12 24.83 3h1l s ALA 47 CO 0.12 -0.24 1.64 0.74 0.00 0.00 0.00 175.76 178.03 3h1l h PHE 48 N 4.10 0.05 -0.10 0.00 -1.00 -1.66 0.97 116.94 119.31 3h1l h PHE 48 Ca -0.31 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.35 3h1l h PHE 48 Cb 1.19 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 3h1l h PHE 48 CO 0.57 -0.02 -0.51 0.07 -1.61 0.00 0.00 178.31 176.82 3h1l h ARG 49 N 0.01 0.26 -0.14 1.51 0.11 -1.22 -3.03 114.38 111.88 3h1l h ARG 49 Ca 0.83 -0.15 0.04 0.00 0.10 0.00 0.00 59.98 60.80 3h1l h ARG 49 Cb 3.28 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 34.36 3h1l h ARG 49 CO -0.05 0.71 0.13 -0.91 0.10 0.00 0.00 179.97 179.96 3h1l h ASN 50 N 0.21 0.00 0.88 0.08 2.35 0.71 -1.29 115.58 118.53 3h1l h ASN 50 Ca 0.01 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3h1l h ASN 50 Cb 0.97 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 3h1l h ASN 50 CO 0.08 0.00 -0.53 -0.07 -1.65 0.00 0.00 177.43 175.26 3h1l h LEU 51 N 0.00 0.00 -9.79 1.61 3.38 -1.60 -3.41 115.31 105.50 3h1l h LEU 51 Ca 0.07 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.50 3h1l h LEU 51 Cb 0.33 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.17 3h1l h LEU 51 CO -0.00 0.53 0.85 -0.38 0.09 0.00 0.00 178.44 179.53 3h1l n ILE 52 N -3.55 1.12 -0.44 1.22 5.41 -0.49 -0.86 119.36 121.77 3h1l n ILE 52 Ca -0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3h1l n ILE 52 Cb 0.62 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 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 2.00 0.67 0.49 7.39 0.00 -0.62 -4.67 105.19 110.45 3h1l n GLY 53 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 1.25 0.00 1.61 0.31 -0.88 -4.91 118.33 113.71 3h1l n VAL 54 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3h1l n VAL 54 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 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 -3.97 0.00 -4.30 2.52 -2.24 -0.37 -4.88 114.28 101.05 3h1l n THR 55 Ca -0.15 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 3h1l n THR 55 Cb 0.43 0.39 -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 -1.23 1.44 0.58 4.78 4.02 -0.04 -4.86 115.29 119.98 3h1l s HIS 56 Ca 0.00 -0.87 -0.07 0.00 1.02 0.00 0.00 55.06 55.14 3h1l s HIS 56 Cb 0.00 -0.80 -0.00 0.00 -1.02 0.00 0.00 32.58 30.76 3h1l s HIS 56 CO 0.00 -0.01 0.91 0.95 1.02 0.00 0.00 174.74 177.61 3h1l s THR 57 N -3.40 4.00 0.24 1.30 -4.23 -1.26 -1.59 115.64 110.70 3h1l s THR 57 Ca 0.24 0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.86 3h1l s THR 57 Cb 0.05 -3.58 0.25 0.00 1.34 0.00 0.00 72.50 70.55 3h1l s THR 57 CO 0.06 -0.63 1.92 -0.08 -0.54 0.00 0.00 174.62 175.35 3h1l h GLU 58 N -0.15 1.28 0.57 3.99 4.81 -1.97 -1.13 114.58 121.98 3h1l h GLU 58 Ca -0.46 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 3h1l h GLU 58 Cb 1.24 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 3h1l h GLU 58 CO 0.61 0.85 -0.45 0.00 -0.73 0.00 0.00 179.01 179.30 3h1l h ALA 59 N 1.36 -1.17 -0.42 2.92 0.00 -2.00 -1.79 119.26 118.15 3h1l h ALA 59 Ca 0.36 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3h1l h ALA 59 Cb -0.15 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 3h1l h ALA 59 CO -0.08 -1.17 -0.45 0.93 0.00 0.00 0.00 179.25 178.49 3h1l h GLU 60 N -0.98 -0.31 -0.51 0.00 5.08 -1.89 -1.31 114.58 114.66 3h1l h GLU 60 Ca -0.07 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3h1l h GLU 60 Cb 0.82 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 3h1l h GLU 60 CO 0.01 -0.21 -0.06 0.00 -1.00 0.00 0.00 179.01 177.76 3h1l h ALA 61 N 0.39 0.42 -0.12 3.43 0.00 -1.14 0.36 119.26 122.61 3h1l h ALA 61 Ca 0.13 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3h1l h ALA 61 Cb 0.58 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3h1l h ALA 61 CO -0.59 -0.41 0.01 -0.22 0.00 0.00 0.00 179.25 178.04 3h1l h LYS 62 N 0.06 0.06 -0.28 0.00 3.64 -0.44 -1.22 116.57 118.39 3h1l h LYS 62 Ca 0.25 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3h1l h LYS 62 Cb 0.39 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3h1l h LYS 62 CO -0.47 0.04 -0.12 0.00 -2.27 0.00 0.00 179.45 176.63 3h1l h ALA 63 N 1.09 1.27 -0.47 5.00 0.00 -0.66 -0.93 119.26 124.55 3h1l h ALA 63 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h1l h ALA 63 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h1l h ALA 63 CO -0.08 0.48 0.29 -0.07 0.00 0.00 0.00 179.25 179.87 3h1l h LEU 64 N 0.44 0.56 0.00 0.00 3.38 0.40 -1.96 115.31 118.13 3h1l h LEU 64 Ca 0.08 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3h1l h LEU 64 Cb 0.48 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3h1l h LEU 64 CO 0.03 0.43 -0.89 0.00 0.09 0.00 0.00 178.44 178.10 3h1l h ALA 65 N 1.67 0.63 0.00 1.53 0.00 -0.48 -3.24 119.26 119.36 3h1l h ALA 65 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3h1l h ALA 65 Cb -0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h1l h ALA 65 CO -0.03 0.82 0.00 0.39 0.00 0.00 0.00 179.25 180.43 3h1l n GLU 66 N -3.13 0.20 0.00 0.00 1.02 -0.43 -2.69 120.64 115.62 3h1l n GLU 66 Ca -0.02 0.03 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 3h1l n GLU 66 Cb 0.80 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 31.45 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 -1.39 0.49 -4.28 3.49 1.02 -0.96 -4.45 120.64 114.56 3h1l n GLU 67 Ca 0.10 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.99 3h1l n GLU 67 Cb 0.27 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.46 3.30 -0.19 2.62 1.01 -1.09 -5.03 120.40 118.55 3h1l s VAL 68 Ca 0.30 -1.65 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 3h1l s VAL 68 Cb 0.19 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3h1l s VAL 68 CO 0.41 -0.14 0.14 -1.61 0.00 0.00 0.00 175.10 173.90 3h1l s GLU 69 N -2.94 4.14 -0.07 2.72 0.41 -1.26 -1.85 118.70 119.84 3h1l s GLU 69 Ca 0.26 -0.20 0.04 0.00 -0.41 0.00 0.00 54.97 54.67 3h1l s GLU 69 Cb -0.09 -3.40 -0.00 0.00 -1.78 0.00 0.00 34.13 28.86 3h1l s GLU 69 CO 0.16 0.33 -0.21 0.08 -0.49 0.00 0.00 175.26 175.13 3h1l s VAL 70 N 0.26 1.81 0.15 2.63 1.01 0.27 -4.91 120.40 121.63 3h1l s VAL 70 Ca 0.09 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3h1l s VAL 70 Cb -0.11 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 3h1l s VAL 70 CO -0.01 0.51 1.00 -1.58 0.00 0.00 0.00 175.10 175.01 3h1l s GLN 71 N 0.20 4.69 0.00 2.72 0.74 -1.26 -1.10 119.66 125.65 3h1l s GLN 71 Ca -0.11 1.54 0.00 0.00 0.05 0.00 0.00 55.36 56.84 3h1l s GLN 71 Cb -0.15 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3h1l s GLN 71 CO 0.06 0.22 0.00 -3.47 -0.55 0.00 0.00 175.29 171.55 3h1l n ASP 72 N 2.43 0.54 0.00 6.67 4.64 -0.43 -4.97 116.55 125.43 3h1l n ASP 72 Ca 0.02 -0.62 0.00 0.00 -1.38 0.00 0.00 54.79 52.80 3h1l n ASP 72 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 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 1.36 -0.29 3.88 0.27 0.00 -1.26 -2.61 105.19 106.53 3h1l n GLY 73 Ca 0.00 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.63 2.75 0.00 1.61 0.04 -1.26 -5.03 135.00 132.48 3h1l s PRO 74 Ca 0.00 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.51 3h1l s PRO 74 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3h1l s PRO 74 CO 0.00 -1.11 0.00 -0.40 0.04 0.00 0.00 177.00 175.53 3h1l n ASP 75 N -3.06 0.00 0.11 6.66 5.68 -0.77 -4.79 116.55 120.39 3h1l n ASP 75 Ca 0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.34 3h1l n ASP 75 Cb 0.57 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.54 0.11 3.07 -2.02 -3.09 114.58 112.11 3h1l h GLU 76 Ca 0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 3h1l h GLU 76 Cb 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.79 3h1l h GLU 76 CO 0.00 0.71 0.15 0.09 -1.40 0.00 0.00 179.01 178.56 3h1l n ASN 77 N -3.44 3.73 -3.77 1.42 3.02 -1.26 -4.92 115.26 110.05 3h1l n ASN 77 Ca 0.00 -3.40 -0.24 0.00 -0.03 0.00 0.00 54.58 50.91 3h1l n ASN 77 Cb 0.76 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.68 -0.37 3.33 7.41 0.00 -1.17 -4.97 105.19 108.75 3h1l n GLY 78 Ca 0.36 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.21 3.28 0.97 1.61 0.41 -1.26 -4.75 118.70 112.75 3h1l s GLU 79 Ca 0.25 -0.74 -0.12 0.00 -0.41 0.00 0.00 54.97 53.96 3h1l s GLU 79 Cb -0.12 -2.54 0.17 0.00 -1.78 0.00 0.00 34.13 29.86 3h1l s GLU 79 CO 0.81 0.22 1.08 -0.51 -0.49 0.00 0.00 175.26 176.37 3h1l s LEU 80 N 0.32 1.93 -0.24 1.80 1.43 -1.26 -1.84 118.68 120.82 3h1l s LEU 80 Ca -0.13 1.54 -0.27 0.00 -1.03 0.00 0.00 54.13 54.25 3h1l s LEU 80 Cb -0.16 -3.82 0.12 0.00 0.03 0.00 0.00 46.19 42.36 3h1l s LEU 80 CO 0.06 -3.11 0.99 0.72 0.23 0.00 0.00 176.35 175.25 3h1l s PHE 81 N -2.80 -0.47 0.94 0.29 -0.12 -1.07 -4.89 117.98 109.86 3h1l s PHE 81 Ca 0.65 1.06 -0.12 0.00 -0.05 0.00 0.00 56.93 58.46 3h1l s PHE 81 Cb -0.20 0.38 0.16 0.00 -0.63 0.00 0.00 43.02 42.73 3h1l s PHE 81 CO 0.59 -0.28 1.11 -1.64 -0.05 0.00 0.00 175.22 174.94 3h1l s MET 82 N -0.18 0.87 -0.12 1.99 -1.94 -1.26 -1.32 119.30 117.34 3h1l s MET 82 Ca 0.01 0.48 -0.32 0.00 -1.71 0.00 0.00 55.69 54.14 3h1l s MET 82 Cb -0.04 -1.79 0.13 0.00 2.01 0.00 0.00 34.83 35.14 3h1l s MET 82 CO -0.03 -2.42 1.08 -0.98 -0.01 0.00 0.00 175.02 172.66 3h1l s ARG 83 N -5.08 0.51 0.46 2.03 1.70 -0.26 -4.81 118.95 113.50 3h1l s ARG 83 Ca 0.64 -0.17 -0.21 0.00 -0.47 0.00 0.00 55.73 55.52 3h1l s ARG 83 Cb -0.17 0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.36 3h1l s ARG 83 CO 0.56 -0.22 1.04 -1.25 -1.08 0.00 0.00 175.30 174.35 3h1l s PRO 84 N -2.62 3.90 0.66 3.89 0.04 -1.26 0.96 135.00 140.58 3h1l s PRO 84 Ca 0.07 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 3h1l s PRO 84 Cb -0.01 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3h1l s PRO 84 CO -0.06 -0.35 1.11 0.20 0.04 0.00 0.00 177.00 177.94 3h1l s GLY 85 N -1.88 2.14 0.23 0.56 0.00 -0.77 -4.73 107.32 102.88 3h1l s GLY 85 Ca 0.65 0.54 0.11 0.00 0.00 0.00 0.00 44.72 46.02 3h1l s GLY 85 CO 0.22 0.90 -0.18 0.54 0.00 0.00 0.00 173.10 174.57 3h1l s LYS 86 N -4.12 1.72 0.39 2.90 1.02 -1.26 -3.66 119.74 116.73 3h1l s LYS 86 Ca 0.67 -1.59 0.23 0.00 0.02 0.00 0.00 55.97 55.30 3h1l s LYS 86 Cb -0.21 -1.88 1.24 0.00 -0.52 0.00 0.00 37.83 36.47 3h1l s LYS 86 CO 0.42 0.37 1.67 -0.84 -0.92 0.00 0.00 175.35 176.06 3h1l h ILE 87 N 2.64 0.00 -0.01 2.17 3.07 -1.88 0.22 117.51 123.71 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 0.55 0.00 -0.10 -1.54 -1.05 0.00 0.00 178.15 176.01 3h1l n SER 88 N -2.35 0.92 -4.86 2.16 3.41 -1.26 -0.76 113.62 110.88 3h1l n SER 88 Ca -0.02 -1.03 -0.31 0.00 -0.26 0.00 0.00 58.87 57.26 3h1l n SER 88 Cb 0.13 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.26 6.48 0.40 4.04 1.01 0.06 -4.96 116.67 121.44 3h1l s ASP 89 Ca 0.33 1.38 -0.02 0.00 0.71 0.00 0.00 52.55 54.94 3h1l s ASP 89 Cb 0.20 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3h1l s ASP 89 CO 0.43 -0.60 0.65 -0.31 0.21 0.00 0.00 175.17 175.54 3h1l s TYR 90 N -2.69 3.52 0.21 4.23 1.51 -1.26 -3.16 117.35 119.72 3h1l s TYR 90 Ca 0.55 0.57 -0.32 0.00 -1.01 0.00 0.00 57.07 56.86 3h1l s TYR 90 Cb -0.10 -2.09 -0.13 0.00 -0.11 0.00 0.00 41.96 39.53 3h1l s TYR 90 CO 0.37 -0.04 1.50 1.19 -1.11 0.00 0.00 175.55 177.46 3h1l n PHE 91 N -1.91 2.29 -1.69 2.71 3.72 -0.90 -4.87 117.46 116.81 3h1l n PHE 91 Ca -0.02 0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 57.29 3h1l n PHE 91 Cb 0.56 -2.51 -0.01 0.00 -0.94 0.00 0.00 39.48 36.57 3h1l n PHE 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3h1l n PRO 92 N 2.61 2.12 -2.99 -1.08 -0.02 -1.26 -4.64 135.00 129.74 3h1l n PRO 92 Ca 0.13 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.96 3h1l n PRO 92 Cb 0.31 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 3h1l n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1l s LYS 93 N -1.29 4.48 0.00 -0.52 1.02 -1.26 -4.63 119.74 117.54 3h1l s LYS 93 Ca 0.60 1.04 0.29 0.00 0.02 0.00 0.00 55.97 57.92 3h1l s LYS 93 Cb -0.59 -3.38 1.36 0.00 -0.52 0.00 0.00 37.83 34.69 3h1l s LYS 93 CO 0.57 0.23 1.95 -0.35 -0.92 0.00 0.00 175.35 176.83 3h1l n PRO 94 N 3.03 0.48 -3.84 -1.68 -0.04 -1.26 -4.78 135.00 126.91 3h1l n PRO 94 Ca -0.02 -0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 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 -2.58 -0.07 0.40 0.54 1.51 -1.26 -4.98 117.35 110.90 3h1l s TYR 95 Ca 0.27 0.17 0.21 0.00 -1.01 0.00 0.00 57.07 56.71 3h1l s TYR 95 Cb 0.20 0.01 1.15 0.00 -0.11 0.00 0.00 41.96 43.21 3h1l s TYR 95 CO 0.48 -0.18 1.98 -1.00 -1.11 0.00 0.00 175.55 175.73 3h1l h PRO 96 N 5.14 0.00 -1.76 -1.71 0.13 -1.96 -3.46 132.00 128.37 3h1l h PRO 96 Ca -0.28 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.94 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 0.41 0.20 0.53 0.54 -0.23 0.00 0.00 178.00 179.44 3h1l s ASN 97 N -6.52 -0.37 0.30 1.44 2.20 -1.26 -5.06 114.94 105.66 3h1l s ASN 97 Ca -0.03 0.29 0.04 0.00 -0.94 0.00 0.00 52.86 52.22 3h1l s ASN 97 Cb 0.14 0.33 0.76 0.00 -2.00 0.00 0.00 41.25 40.47 3h1l s ASN 97 CO 0.64 -0.42 1.65 1.55 -2.94 0.00 0.00 177.10 177.58 3h1l h PRO 98 N 2.40 0.22 -0.73 3.55 0.13 -1.99 -1.42 132.00 134.16 3h1l h PRO 98 Ca -0.19 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.08 3h1l h PRO 98 Cb 1.18 -0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 3h1l h PRO 98 CO 0.31 0.14 -0.12 0.93 -0.23 0.00 0.00 178.00 179.03 3h1l h GLU 99 N 0.22 0.03 -0.00 0.86 3.07 -2.00 0.12 114.58 116.88 3h1l h GLU 99 Ca 0.58 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.28 3h1l h GLU 99 Cb 1.19 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 3h1l h GLU 99 CO -0.65 0.02 -0.75 0.00 -1.40 0.00 0.00 179.01 176.23 3h1l h ALA 100 N 1.72 0.76 -0.34 3.43 0.00 -1.69 -1.92 119.26 121.22 3h1l h ALA 100 Ca 0.37 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3h1l h ALA 100 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3h1l h ALA 100 CO -0.72 0.93 0.11 0.00 0.00 0.00 0.00 179.25 179.57 3h1l h ALA 101 N 1.24 0.45 -0.33 0.00 0.00 -0.50 -2.51 119.26 117.61 3h1l h ALA 101 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3h1l h ALA 101 Cb 1.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3h1l h ALA 101 CO 0.10 0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.57 3h1l h ARG 102 N 0.40 0.50 0.00 0.00 3.08 -0.83 -2.64 114.38 114.90 3h1l h ARG 102 Ca 0.11 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3h1l h ARG 102 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3h1l h ARG 102 CO -0.00 0.49 0.44 0.00 -1.07 0.00 0.00 179.97 179.82 3h1l h ALA 103 N 0.99 1.41 -0.67 0.04 0.00 -0.93 0.92 119.26 121.02 3h1l h ALA 103 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.58 3h1l h ALA 103 Cb 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.54 3h1l h ALA 103 CO -0.01 -0.41 -0.93 0.00 0.00 0.00 0.00 179.25 177.90 3h1l n ALA 104 N -1.73 4.16 -1.91 0.00 0.00 -0.99 -4.64 120.51 115.40 3h1l n ALA 104 Ca -0.01 -3.44 -0.00 0.00 0.00 0.00 0.00 53.44 49.98 3h1l n ALA 104 Cb 0.48 -0.53 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.65 -0.01 -1.30 0.00 3.02 -0.59 -5.01 115.26 110.73 3h1l n ASN 105 Ca 0.31 -0.91 -0.09 0.00 -0.03 0.00 0.00 54.58 53.85 3h1l n ASN 105 Cb 0.90 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.08 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 -3.34 0.00 6.41 3.02 -1.12 -2.77 115.26 117.46 3h1l n ASN 106 Ca -0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3h1l n ASN 106 Cb 0.45 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 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 -1.05 0.77 3.82 7.41 0.00 0.22 -5.02 105.19 111.33 3h1l n GLY 107 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.95 3.50 -0.45 4.61 0.00 -1.11 -4.85 121.76 120.50 3h1l s ALA 108 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 3h1l s ALA 108 Cb 0.00 -2.72 0.12 0.00 0.00 0.00 0.00 23.12 20.52 3h1l s ALA 108 CO 0.00 0.37 0.25 -1.17 0.00 0.00 0.00 175.76 175.21 3h1l s LEU 109 N -1.67 5.27 -0.46 0.00 2.96 -1.26 -3.70 118.68 119.81 3h1l s LEU 109 Ca 0.37 -2.17 -0.27 0.00 -0.22 0.00 0.00 54.13 51.84 3h1l s LEU 109 Cb -0.18 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3h1l s LEU 109 CO 0.21 -0.52 1.99 -2.16 -1.32 0.00 0.00 176.35 174.54 3h1l s PRO 110 N 0.94 2.79 0.73 0.98 0.04 -1.26 -4.94 135.00 134.29 3h1l s PRO 110 Ca 0.10 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 3h1l s PRO 110 Cb -0.23 -4.36 -0.02 0.00 0.04 0.00 0.00 34.50 29.93 3h1l s PRO 110 CO -0.04 -2.50 0.64 -0.35 0.04 0.00 0.00 177.00 174.78 3h1l n PRO 111 N 8.86 0.32 -2.31 0.56 -0.04 -1.26 -4.60 135.00 136.53 3h1l n PRO 111 Ca 0.25 0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 3h1l n PRO 111 Cb 0.50 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.54 7.00 0.00 3.54 -1.08 -1.26 -4.37 116.67 118.96 3h1l s ASP 112 Ca 0.67 2.28 0.17 0.00 -0.52 0.00 0.00 52.55 55.15 3h1l s ASP 112 Cb -0.34 -2.60 0.56 0.00 -1.46 0.00 0.00 42.92 39.07 3h1l s ASP 112 CO 0.56 -0.45 1.42 0.18 0.52 0.00 0.00 175.17 177.41 3h1l n LEU 113 N 2.73 1.82 0.11 -1.34 4.77 0.10 -4.47 117.00 120.71 3h1l n LEU 113 Ca 0.06 -0.83 -0.14 0.00 -0.03 0.00 0.00 56.01 55.06 3h1l n LEU 113 Cb 0.44 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3h1l n LEU 113 CO 0.57 0.42 0.59 0.28 -1.33 0.00 0.00 177.39 177.91 3h1l h SER 114 N 2.21 -1.23 -0.48 -1.43 0.02 -1.91 -3.01 113.55 107.72 3h1l h SER 114 Ca 0.00 0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 3h1l h SER 114 Cb 0.49 0.46 -0.09 0.00 0.14 0.00 0.00 62.40 63.41 3h1l h SER 114 CO 0.00 -0.48 0.10 -1.22 -1.14 0.00 0.00 176.83 174.09 3h1l n TYR 115 N -5.46 1.58 0.06 3.45 4.02 -1.26 -3.07 117.16 116.48 3h1l n TYR 115 Ca -0.07 -1.25 -0.11 0.00 -0.01 0.00 0.00 57.90 56.46 3h1l n TYR 115 Cb 0.38 -0.52 -0.05 0.00 -0.02 0.00 0.00 39.34 39.13 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 1.79 0.39 0.00 -0.72 6.09 -1.75 -2.53 117.51 120.79 3h1l h ILE 116 Ca 0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 3h1l h ILE 116 Cb 1.87 0.39 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3h1l h ILE 116 CO 0.49 0.00 0.15 1.33 -3.07 0.00 0.00 178.15 177.04 3h1l n VAL 117 N -5.38 1.05 0.40 2.19 0.24 -1.26 -0.40 118.33 115.16 3h1l n VAL 117 Ca -0.05 0.66 0.05 0.00 -2.04 0.00 0.00 64.34 62.96 3h1l n VAL 117 Cb 0.30 -1.66 0.01 0.00 -1.47 0.00 0.00 33.84 31.02 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 -1.90 1.39 -0.69 -1.34 3.02 -0.98 -3.73 115.26 111.02 3h1l n ASN 118 Ca -0.01 -1.19 0.10 0.00 -0.03 0.00 0.00 54.58 53.45 3h1l n ASN 118 Cb 0.16 0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.03 2.71 -3.62 5.41 0.00 0.46 -4.89 120.51 120.61 3h1l n ALA 119 Ca 0.04 -0.64 -0.22 0.00 0.00 0.00 0.00 53.44 52.62 3h1l n ALA 119 Cb 0.21 -0.67 -0.17 0.00 0.00 0.00 0.00 19.45 18.82 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 1.16 0.13 0.00 1.81 -1.08 -5.07 118.95 114.11 3h1l s ARG 120 Ca 0.21 -0.20 -0.32 0.00 -1.72 0.00 0.00 55.73 53.70 3h1l s ARG 120 Cb 0.16 -1.11 -0.12 0.00 -0.45 0.00 0.00 34.95 33.44 3h1l s ARG 120 CO 0.31 -0.09 1.77 0.72 -0.68 0.00 0.00 175.30 177.34 3h1l n HIS 121 N 4.17 2.56 0.00 -0.53 8.25 -1.26 -1.62 115.22 126.79 3h1l n HIS 121 Ca -0.21 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3h1l n HIS 121 Cb 0.51 -2.68 0.00 0.00 1.12 0.00 0.00 29.99 28.94 3h1l n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1l n GLY 122 N 4.05 1.94 7.00 -1.41 0.00 -1.26 -4.71 105.19 110.81 3h1l n GLY 122 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.29 2.45 0.28 -0.02 0.00 -0.64 -1.11 105.19 105.86 3h1l n GLY 123 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.28 1.61 9.09 -1.90 0.72 114.58 123.82 3h1l h GLU 124 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 3h1l h GLU 124 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3h1l h GLU 124 CO 0.00 0.05 -0.23 -0.44 0.05 0.00 0.00 179.01 178.43 3h1l h ASP 125 N 0.00 0.53 0.18 3.06 3.45 -1.45 -0.67 116.42 121.51 3h1l h ASP 125 Ca -0.00 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.28 3h1l h ASP 125 Cb 0.13 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3h1l h ASP 125 CO 0.01 0.76 -0.08 0.22 -1.57 0.00 0.00 179.24 178.57 3h1l h TYR 126 N 0.47 -0.22 -0.90 4.55 3.20 -0.33 -2.88 116.97 120.86 3h1l h TYR 126 Ca 0.07 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.15 3h1l h TYR 126 Cb 0.66 0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.88 3h1l h TYR 126 CO 0.02 0.03 0.41 0.28 -1.64 0.00 0.00 178.16 177.26 3h1l h VAL 127 N -1.02 0.50 0.19 1.81 2.07 -1.22 -1.46 116.25 117.12 3h1l h VAL 127 Ca -0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3h1l h VAL 127 Cb 0.35 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3h1l h VAL 127 CO 0.04 0.08 -0.09 0.15 0.02 0.00 0.00 177.57 177.77 3h1l h PHE 128 N 0.43 -0.23 -1.44 1.57 3.57 -1.21 -2.07 116.94 117.56 3h1l h PHE 128 Ca 0.55 -0.01 0.43 0.00 3.53 0.00 0.00 57.97 62.48 3h1l h PHE 128 Cb 1.03 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 3h1l h PHE 128 CO -0.12 -0.15 1.00 0.77 -2.23 0.00 0.00 178.31 177.58 3h1l h SER 129 N -0.27 0.13 0.05 0.41 0.02 -1.26 0.21 113.55 112.84 3h1l h SER 129 Ca -0.03 0.05 -0.24 0.00 -0.84 0.00 0.00 61.79 60.74 3h1l h SER 129 Cb 0.19 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3h1l h SER 129 CO 0.04 -0.05 -0.91 0.25 -1.14 0.00 0.00 176.83 175.02 3h1l h LEU 130 N 0.07 0.81 -0.01 5.07 5.85 -1.18 0.35 115.31 126.26 3h1l h LEU 130 Ca 0.76 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3h1l h LEU 130 Cb 2.72 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 43.51 3h1l h LEU 130 CO -0.17 1.39 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.25 3h1l h LEU 131 N 0.40 0.03 0.00 2.25 3.38 0.11 -3.24 115.31 118.24 3h1l h LEU 131 Ca -0.09 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3h1l h LEU 131 Cb 1.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3h1l h LEU 131 CO 0.18 0.39 -0.27 0.35 0.09 0.00 0.00 178.44 179.18 3h1l n THR 132 N -4.89 0.29 0.88 0.22 -2.24 -0.69 -4.25 114.28 103.61 3h1l n THR 132 Ca -0.08 -0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 3h1l n THR 132 Cb 0.20 -0.30 0.12 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.39 0.89 3.77 3.38 0.00 0.12 -4.94 105.19 109.80 3h1l n GLY 133 Ca 0.05 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.64 3.16 0.11 1.61 1.51 -1.26 -4.40 117.35 116.45 3h1l s TYR 134 Ca 0.17 1.48 -0.09 0.00 -1.01 0.00 0.00 57.07 57.62 3h1l s TYR 134 Cb 0.11 -3.59 0.03 0.00 -0.11 0.00 0.00 41.96 38.39 3h1l s TYR 134 CO 0.09 -1.58 0.42 0.00 -1.11 0.00 0.00 175.55 173.37 3h1l s ASP 136 N -2.03 7.50 0.33 0.00 1.01 -1.26 -4.48 116.67 117.74 3h1l s ASP 136 Ca 0.09 1.86 -0.29 0.00 0.71 0.00 0.00 52.55 54.93 3h1l s ASP 136 Cb -0.02 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 3h1l s ASP 136 CO 0.03 0.09 1.29 -2.16 0.21 0.00 0.00 175.17 174.63 3h1l s PRO 137 N -1.49 4.37 1.15 8.23 0.04 -1.26 -5.01 135.00 141.02 3h1l s PRO 137 Ca 0.44 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.49 3h1l s PRO 137 Cb -0.23 -3.07 0.26 0.00 0.04 0.00 0.00 34.50 31.50 3h1l s PRO 137 CO 0.28 -0.16 1.08 -1.25 0.04 0.00 0.00 177.00 176.99 3h1l s PRO 138 N -1.78 -0.77 0.20 0.56 0.04 -1.26 -4.88 135.00 127.10 3h1l s PRO 138 Ca 0.49 0.21 -0.32 0.00 0.04 0.00 0.00 61.00 61.42 3h1l s PRO 138 Cb -0.39 -1.62 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 3h1l s PRO 138 CO 0.52 -3.47 1.74 0.00 0.04 0.00 0.00 177.00 175.83 3h1l n ALA 139 N -4.64 2.76 -0.01 8.56 0.00 -1.26 -2.32 120.51 123.61 3h1l n ALA 139 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3h1l n ALA 139 Cb 0.58 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 4.01 0.73 3.41 0.00 0.00 -1.26 -5.04 105.19 107.04 3h1l n GLY 140 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.25 4.73 -0.31 1.61 1.01 -0.98 -5.07 120.40 119.14 3h1l s VAL 141 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 3h1l s VAL 141 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3h1l s VAL 141 CO 0.00 -0.16 0.21 0.68 0.00 0.00 0.00 175.10 175.84 3h1l s VAL 142 N 1.60 5.30 -0.21 2.92 -7.23 -1.26 -4.71 120.40 116.81 3h1l s VAL 142 Ca 0.03 0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 60.02 3h1l s VAL 142 Cb -0.18 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 3h1l s VAL 142 CO 0.07 0.14 0.59 -0.69 -0.31 0.00 0.00 175.10 174.90 3h1l s VAL 143 N 1.75 5.04 0.58 1.32 1.01 -1.26 -5.03 120.40 123.81 3h1l s VAL 143 Ca 0.07 1.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 3h1l s VAL 143 Cb -0.17 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3h1l s VAL 143 CO 0.11 0.11 0.60 -1.14 0.00 0.00 0.00 175.10 174.78 3h1l n ARG 144 N 5.12 0.57 -1.39 2.72 0.63 -1.26 -4.89 116.66 118.16 3h1l n ARG 144 Ca -0.02 0.22 -0.35 0.00 -0.92 0.00 0.00 57.85 56.78 3h1l n ARG 144 Cb 0.50 -1.78 0.10 0.00 0.45 0.00 0.00 32.46 31.72 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 -2.22 2.04 0.00 -0.14 2.12 -1.26 -2.40 118.70 116.85 3h1l s GLU 145 Ca 0.70 1.84 0.00 0.00 0.36 0.00 0.00 54.97 57.87 3h1l s GLU 145 Cb -0.44 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.14 3h1l s GLU 145 CO 0.53 -1.93 0.00 0.41 -0.54 0.00 0.00 175.26 173.73 3h1l n GLY 146 N 0.57 2.74 3.92 -1.50 0.00 -1.26 -4.97 105.19 104.69 3h1l n GLY 146 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 3.78 0.16 0.99 1.43 -1.01 -4.89 118.68 119.15 3h1l s LEU 147 Ca 0.00 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3h1l s LEU 147 Cb 0.00 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 3h1l s LEU 147 CO 0.00 -0.40 -0.17 -1.00 0.23 0.00 0.00 176.35 175.01 3h1l s HIS 148 N -2.24 1.74 -0.15 0.29 3.76 -0.52 -4.85 115.29 113.31 3h1l s HIS 148 Ca 0.43 -0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 54.67 3h1l s HIS 148 Cb -0.08 -0.86 -0.04 0.00 1.11 0.00 0.00 32.58 32.71 3h1l s HIS 148 CO 0.29 0.30 0.44 -0.47 -0.85 0.00 0.00 174.74 174.45 3h1l s TYR 149 N -2.17 3.45 -0.13 1.40 5.04 -1.26 -1.24 117.35 122.45 3h1l s TYR 149 Ca 0.15 0.78 -0.04 0.00 -2.44 0.00 0.00 57.07 55.52 3h1l s TYR 149 Cb -0.05 -2.54 0.06 0.00 0.35 0.00 0.00 41.96 39.79 3h1l s TYR 149 CO 0.06 0.10 0.22 1.21 -1.34 0.00 0.00 175.55 175.79 3h1l s ASN 150 N 0.77 0.72 0.38 4.32 3.84 0.10 -3.26 114.94 121.82 3h1l s ASN 150 Ca 0.23 0.33 0.14 0.00 0.21 0.00 0.00 52.86 53.76 3h1l s ASN 150 Cb -0.15 0.48 0.76 0.00 -0.55 0.00 0.00 41.25 41.79 3h1l s ASN 150 CO 0.09 -0.26 1.84 1.55 -2.79 0.00 0.00 177.10 177.53 3h1l h PRO 151 N 8.32 0.00 0.00 0.43 0.13 -1.78 -3.03 132.00 136.06 3h1l h PRO 151 Ca -0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.17 0.35 -0.09 1.88 -0.23 0.00 0.00 178.00 180.08 3h1l h TYR 152 N 0.00 0.00 -3.35 1.56 0.05 -1.86 -3.39 116.97 109.98 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 0.64 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 3h1l h TYR 152 CO 0.00 0.09 0.05 0.12 -1.05 0.00 0.00 178.16 177.37 3h1l s PHE 153 N -3.56 3.65 -0.06 4.88 5.36 -1.15 -4.90 117.98 122.20 3h1l s PHE 153 Ca 0.02 1.26 -0.29 0.00 -0.96 0.00 0.00 56.93 56.95 3h1l s PHE 153 Cb 0.09 -2.72 -0.07 0.00 -0.34 0.00 0.00 43.02 39.98 3h1l s PHE 153 CO 0.60 0.24 2.06 -1.25 -1.46 0.00 0.00 175.22 175.40 3h1l s PRO 154 N 0.22 3.76 0.00 10.12 0.04 -1.26 0.31 135.00 148.19 3h1l s PRO 154 Ca 0.35 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.77 3h1l s PRO 154 Cb -0.18 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.12 3h1l s PRO 154 CO 0.18 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.25 3h1l n GLY 155 N 5.00 2.61 4.16 0.56 0.00 -1.26 -4.67 105.19 111.59 3h1l n GLY 155 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.91 0.00 -3.46 1.61 3.00 0.15 -4.62 117.38 113.15 3h1l n GLN 156 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3h1l n GLN 156 Cb 0.00 -2.38 -0.07 0.00 0.00 0.00 0.00 30.24 27.79 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 -1.37 3.51 -0.01 -1.58 0.00 -1.26 0.00 121.76 121.05 3h1l s ALA 157 Ca 0.00 -2.56 -0.03 0.00 0.00 0.00 0.00 51.96 49.37 3h1l s ALA 157 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 3h1l s ALA 157 CO 0.00 -1.96 0.18 -1.50 0.00 0.00 0.00 175.76 172.48 3h1l s ILE 158 N 1.41 5.42 -2.25 0.00 2.07 -0.37 -4.86 121.20 122.61 3h1l s ILE 158 Ca 0.05 -0.15 0.24 0.00 -1.41 0.00 0.00 60.65 59.38 3h1l s ILE 158 Cb -0.27 -3.52 0.57 0.00 0.13 0.00 0.00 42.46 39.36 3h1l s ILE 158 CO 0.00 0.34 1.74 0.61 -1.91 0.00 0.00 174.94 175.72 3h1l n GLY 159 N 0.98 -0.23 3.41 1.50 0.00 -1.26 -1.44 105.19 108.16 3h1l n GLY 159 Ca -0.11 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.92 3.18 0.39 1.61 0.00 -1.26 -4.92 119.30 116.37 3h1l s MET 160 Ca 0.36 -0.83 -0.26 0.00 0.00 0.00 0.00 55.69 54.96 3h1l s MET 160 Cb 0.18 -3.59 -0.09 0.00 0.00 0.00 0.00 34.83 31.34 3h1l s MET 160 CO 0.29 -0.49 1.20 0.00 0.00 0.00 0.00 175.02 176.02 3h1l s ALA 161 N 1.59 3.23 -0.72 4.11 0.00 -1.26 -4.79 121.76 123.91 3h1l s ALA 161 Ca 0.04 1.05 -0.38 0.00 0.00 0.00 0.00 51.96 52.66 3h1l s ALA 161 Cb -0.18 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.33 3h1l s ALA 161 CO 0.06 -0.58 2.39 -2.30 0.00 0.00 0.00 175.76 175.34 3h1l n PRO 162 N 0.24 0.03 0.19 0.00 -0.02 -1.26 -4.82 135.00 129.36 3h1l n PRO 162 Ca 0.03 0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.57 3h1l n PRO 162 Cb 0.45 -1.53 0.39 0.00 -0.02 0.00 0.00 33.50 32.79 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 10.48 0.00 -6.46 0.52 0.13 -1.90 -3.45 132.00 131.32 3h1l h PRO 163 Ca -0.08 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.35 3h1l h PRO 163 Cb 1.37 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.20 3h1l h PRO 163 CO 1.22 0.36 -0.89 0.96 -0.23 0.00 0.00 178.00 179.42 3h1l s ILE 164 N -3.95 2.04 -0.06 -3.56 -4.36 -1.26 -5.05 121.20 105.01 3h1l s ILE 164 Ca -0.02 -1.09 -0.09 0.00 -0.26 0.00 0.00 60.65 59.19 3h1l s ILE 164 Cb 0.13 -1.70 0.02 0.00 1.25 0.00 0.00 42.46 42.16 3h1l s ILE 164 CO 0.69 0.57 0.22 -0.72 0.24 0.00 0.00 174.94 175.95 3h1l s TYR 165 N -0.51 -0.18 0.08 1.37 1.13 -1.26 -5.01 117.35 112.97 3h1l s TYR 165 Ca 0.07 0.40 -0.21 0.00 -1.41 0.00 0.00 57.07 55.92 3h1l s TYR 165 Cb -0.11 0.06 -0.12 0.00 -1.10 0.00 0.00 41.96 40.69 3h1l s TYR 165 CO 0.00 -0.20 0.48 0.09 -2.51 0.00 0.00 175.55 173.41 3h1l n ASN 166 N 2.39 -0.48 0.00 -0.18 3.02 -1.26 -1.04 115.26 117.71 3h1l n ASN 166 Ca -0.16 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3h1l n ASN 166 Cb 0.57 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.77 -1.51 0.29 3.52 1.02 -0.43 -4.79 120.64 119.51 3h1l n GLU 167 Ca 0.12 0.35 0.08 0.00 -0.02 0.00 0.00 57.16 57.69 3h1l n GLU 167 Cb 0.12 -4.68 0.44 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 -3.29 -3.67 2.10 -1.35 -3.40 117.51 107.89 3h1l h ILE 168 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.79 3h1l h ILE 168 Cb 0.70 0.36 -0.03 0.00 -1.09 0.00 0.00 36.82 36.76 3h1l h ILE 168 CO 0.00 0.00 -0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3h1l n LEU 169 N -2.54 0.00 -3.50 2.19 -0.00 -1.26 -5.07 117.00 106.82 3h1l n LEU 169 Ca -0.01 -2.14 -0.19 0.00 -0.00 0.00 0.00 56.01 53.66 3h1l n LEU 169 Cb 0.57 2.31 -0.13 0.00 -0.00 0.00 0.00 43.42 46.17 3h1l n LEU 169 CO 0.07 -0.56 -0.22 -1.61 -0.00 0.00 0.00 177.39 175.07 3h1l s GLU 170 N -2.43 0.18 -0.08 1.47 2.02 -1.26 -4.87 118.70 113.72 3h1l s GLU 170 Ca 0.19 0.14 -0.32 0.00 0.02 0.00 0.00 54.97 55.00 3h1l s GLU 170 Cb -0.02 -1.26 -0.10 0.00 0.10 0.00 0.00 34.13 32.85 3h1l s GLU 170 CO 0.14 -0.68 2.00 0.66 0.02 0.00 0.00 175.26 177.40 3h1l n TYR 171 N 5.31 2.29 0.92 1.61 0.53 -1.26 -4.82 117.16 121.74 3h1l n TYR 171 Ca -0.06 -0.15 0.02 0.00 -1.02 0.00 0.00 57.90 56.70 3h1l n TYR 171 Cb 0.49 -2.72 0.14 0.00 -1.03 0.00 0.00 39.34 36.22 3h1l n TYR 171 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3h1l n ASP 172 N 8.06 0.00 -0.59 7.72 5.68 -1.26 -1.83 116.55 134.33 3h1l n ASP 172 Ca 0.24 -0.77 0.10 0.00 -0.50 0.00 0.00 54.79 53.86 3h1l n ASP 172 Cb 0.36 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.66 2.20 0.00 -1.12 5.75 -1.26 -4.98 116.55 116.47 3h1l n ASP 173 Ca 0.04 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 3h1l n ASP 173 Cb 0.02 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 1.25 0.83 3.71 6.12 0.00 -0.76 -5.07 105.19 111.27 3h1l n GLY 174 Ca 0.10 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 5.39 -0.67 2.61 2.01 -1.26 -5.01 115.64 116.71 3h1l s THR 175 Ca 0.00 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 3h1l s THR 175 Cb 0.00 -3.49 -0.13 0.00 0.01 0.00 0.00 72.50 68.89 3h1l s THR 175 CO 0.00 0.41 2.51 -2.65 -0.69 0.00 0.00 174.62 174.20 3h1l n PRO 176 N 3.73 0.64 -0.70 4.92 -0.02 -1.26 -4.48 135.00 137.84 3h1l n PRO 176 Ca -0.15 0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.10 3h1l n PRO 176 Cb 0.52 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 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 13.32 3.56 -1.57 3.55 0.00 -1.26 -4.84 120.51 133.26 3h1l n ALA 177 Ca 0.49 -2.00 -0.29 0.00 0.00 0.00 0.00 53.44 51.63 3h1l n ALA 177 Cb 0.32 -3.10 0.17 0.00 0.00 0.00 0.00 19.45 16.84 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 4.24 1.91 -0.00 0.00 -4.23 -1.26 -1.31 115.64 114.98 3h1l s THR 178 Ca 0.39 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.64 3h1l s THR 178 Cb 0.10 -2.78 -0.19 0.00 1.34 0.00 0.00 72.50 70.96 3h1l s THR 178 CO 0.03 0.00 1.34 -0.03 -0.54 0.00 0.00 174.62 175.42 3h1l h MET 179 N -1.77 -0.00 -0.05 3.99 4.05 -1.91 -2.40 114.93 116.85 3h1l h MET 179 Ca -0.47 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 58.85 3h1l h MET 179 Cb 1.29 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.08 3h1l h MET 179 CO 0.48 0.41 -0.44 0.66 0.23 0.00 0.00 176.91 178.25 3h1l h SER 180 N -0.41 0.11 -0.61 1.39 4.64 -1.97 -1.51 113.55 115.19 3h1l h SER 180 Ca -0.00 -0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3h1l h SER 180 Cb 0.41 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 3h1l h SER 180 CO 0.00 0.54 0.35 -0.61 -0.87 0.00 0.00 176.83 176.24 3h1l h GLN 181 N 0.09 0.65 0.05 4.77 5.75 -1.87 0.30 115.11 124.84 3h1l h GLN 181 Ca 0.01 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3h1l h GLN 181 Cb 0.82 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.22 3h1l h GLN 181 CO 0.06 0.43 -0.02 0.82 -2.65 0.00 0.00 178.83 177.47 3h1l h ILE 182 N 0.67 0.00 -0.97 2.39 2.04 -0.95 -2.02 117.51 118.67 3h1l h ILE 182 Ca 0.26 -0.01 0.34 0.00 1.00 0.00 0.00 64.86 66.45 3h1l h ILE 182 Cb 0.10 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.00 3h1l h ILE 182 CO -0.14 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.28 3h1l n ALA 183 N -2.04 0.75 -0.17 1.87 0.00 -0.61 0.14 120.51 120.45 3h1l n ALA 183 Ca -0.01 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.37 3h1l n ALA 183 Cb 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 18.61 3h1l n ALA 183 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h1l h LYS 184 N 0.00 0.67 -0.01 0.00 3.11 -0.35 -2.01 116.57 117.97 3h1l h LYS 184 Ca 0.71 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 58.47 3h1l h LYS 184 Cb 1.70 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.80 3h1l h LYS 184 CO -0.83 0.51 -0.00 -0.44 -2.81 0.00 0.00 179.45 175.88 3h1l h ASP 185 N 0.65 0.02 -0.12 4.20 3.32 0.20 -2.74 116.42 121.95 3h1l h ASP 185 Ca 0.17 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3h1l h ASP 185 Cb 0.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3h1l h ASP 185 CO -0.03 0.37 0.03 1.62 -1.72 0.00 0.00 179.24 179.51 3h1l h VAL 186 N -0.32 1.11 -0.24 -1.35 3.04 -1.21 -1.80 116.25 115.47 3h1l h VAL 186 Ca 0.00 -0.41 -0.15 0.00 -1.01 0.00 0.00 66.70 65.13 3h1l h VAL 186 Cb 0.36 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 3h1l h VAL 186 CO 0.00 0.14 -0.47 0.00 -1.01 0.00 0.00 177.57 176.23 3h1l h THR 188 N 0.51 0.78 0.05 0.00 2.02 -1.04 -2.76 112.91 112.47 3h1l h THR 188 Ca 0.03 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3h1l h THR 188 Cb 1.02 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3h1l h THR 188 CO 0.10 0.15 -0.03 0.15 0.37 0.00 0.00 175.52 176.26 3h1l h PHE 189 N 0.00 -0.07 0.00 3.16 3.57 -0.65 -3.08 116.94 119.88 3h1l h PHE 189 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h1l h PHE 189 Cb 0.34 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3h1l h PHE 189 CO 0.00 0.55 0.10 1.28 -2.23 0.00 0.00 178.31 178.00 3h1l n LEU 190 N -4.77 0.00 -0.08 0.59 4.77 -0.12 -0.61 117.00 116.77 3h1l n LEU 190 Ca -0.08 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 3h1l n LEU 190 Cb 0.32 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3h1l n LEU 190 CO 0.27 -0.30 -0.46 -1.14 -1.33 0.00 0.00 177.39 174.43 3h1l n ARG 191 N -1.28 0.48 -0.35 3.23 3.00 -1.10 -3.16 116.66 117.48 3h1l n ARG 191 Ca 0.00 0.46 0.17 0.00 -0.00 0.00 0.00 57.85 58.48 3h1l n ARG 191 Cb 0.10 -1.64 0.38 0.00 0.00 0.00 0.00 32.46 31.29 3h1l n ARG 191 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 3h1l h TRP 192 N -1.00 1.02 -0.53 -0.14 7.01 -1.00 0.14 115.95 121.46 3h1l h TRP 192 Ca -0.05 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 3h1l h TRP 192 Cb 0.71 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 3h1l h TRP 192 CO -0.23 0.09 0.08 0.00 -2.79 0.00 0.00 178.44 175.60 3h1l h ALA 193 N 1.72 0.71 0.00 2.65 0.00 -1.03 -1.85 119.26 121.46 3h1l h ALA 193 Ca 0.64 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3h1l h ALA 193 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3h1l h ALA 193 CO -0.46 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3h1l n ALA 194 N -2.42 2.27 0.00 0.00 0.00 0.45 -4.47 120.51 116.34 3h1l n ALA 194 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3h1l n ALA 194 Cb 0.26 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.11 0.00 -0.25 0.00 0.28 -0.92 -4.93 120.64 113.70 3h1l n GLU 195 Ca 0.15 0.00 0.32 0.00 -0.16 0.00 0.00 57.16 57.47 3h1l n GLU 195 Cb 0.12 0.00 0.74 0.00 1.43 0.00 0.00 31.44 33.72 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 0.00 0.00 -0.34 3.44 0.11 -1.56 -1.23 132.00 132.42 3h1l h PRO 196 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 3h1l h PRO 196 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3h1l h PRO 196 CO 0.00 0.00 0.16 1.05 -0.21 0.00 0.00 178.00 179.00 3h1l h GLU 197 N 0.00 0.33 0.00 1.05 9.09 -1.96 -3.37 114.58 119.72 3h1l h GLU 197 Ca 0.50 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.89 3h1l h GLU 197 Cb 2.04 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 29.06 3h1l h GLU 197 CO -0.01 0.22 0.00 1.58 0.05 0.00 0.00 179.01 180.85 3h1l n HIS 198 N -4.95 0.00 0.01 2.06 -0.00 -0.47 0.12 115.22 112.00 3h1l n HIS 198 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.08 3h1l n HIS 198 Cb 0.09 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.91 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 -0.94 -0.08 0.26 5.19 -1.86 -1.83 116.42 117.17 3h1l h ASP 199 Ca 0.00 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 3h1l h ASP 199 Cb 0.00 0.40 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3h1l h ASP 199 CO 0.00 -0.35 -0.14 -0.61 -3.12 0.00 0.00 179.24 175.02 3h1l h GLN 200 N -0.40 0.42 -0.07 3.56 4.15 0.66 -1.45 115.11 121.98 3h1l h GLN 200 Ca 0.09 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3h1l h GLN 200 Cb 0.53 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3h1l h GLN 200 CO -0.32 0.56 0.03 -0.09 -1.93 0.00 0.00 178.83 177.08 3h1l h ARG 201 N 0.39 0.09 0.06 1.69 2.43 -0.98 -1.55 114.38 116.51 3h1l h ARG 201 Ca 0.07 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.93 3h1l h ARG 201 Cb 0.49 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3h1l h ARG 201 CO 0.03 0.08 -1.71 0.87 -1.51 0.00 0.00 179.97 177.73 3h1l h LYS 202 N 0.09 0.13 -0.63 0.20 1.57 -0.76 -2.66 116.57 114.51 3h1l h LYS 202 Ca 0.02 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3h1l h LYS 202 Cb 0.02 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3h1l h LYS 202 CO -0.00 0.86 0.27 -0.09 -0.57 0.00 0.00 179.45 179.92 3h1l h ARG 203 N 0.04 0.90 0.29 3.15 2.43 -0.86 -1.59 114.38 118.73 3h1l h ARG 203 Ca -0.30 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 3h1l h ARG 203 Cb 2.01 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 3h1l h ARG 203 CO 0.10 0.72 -0.14 0.52 -1.51 0.00 0.00 179.97 179.66 3h1l h MET 204 N 0.89 -0.37 -1.41 0.20 2.86 -1.40 -2.68 114.93 113.02 3h1l h MET 204 Ca 0.22 0.03 0.46 0.00 -2.06 0.00 0.00 59.70 58.34 3h1l h MET 204 Cb 0.14 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 31.75 3h1l h MET 204 CO -0.02 -0.05 0.93 0.78 1.06 0.00 0.00 176.91 179.60 3h1l h GLY 205 N -0.72 1.16 0.29 8.32 0.00 -1.05 0.44 103.07 111.52 3h1l h GLY 205 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3h1l h GLY 205 CO 0.06 -0.38 -0.14 -2.00 0.00 0.00 0.00 176.54 174.08 3h1l h LEU 206 N 0.05 -0.33 -1.15 3.11 5.85 -1.01 -2.19 115.31 119.64 3h1l h LEU 206 Ca 0.85 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.92 3h1l h LEU 206 Cb 2.80 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 43.78 3h1l h LEU 206 CO -0.38 -0.17 0.65 0.11 -0.34 0.00 0.00 178.44 178.30 3h1l h LYS 207 N -0.53 0.28 -0.04 1.25 1.57 -0.18 0.29 116.57 119.21 3h1l h LYS 207 Ca -0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3h1l h LYS 207 Cb 0.30 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3h1l h LYS 207 CO 0.07 0.19 0.03 1.98 -0.57 0.00 0.00 179.45 181.14 3h1l h MET 208 N 0.29 0.06 -0.08 3.15 4.05 -0.25 -1.92 114.93 120.23 3h1l h MET 208 Ca 0.73 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 60.17 3h1l h MET 208 Cb 1.83 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.59 3h1l h MET 208 CO -0.51 0.07 -0.05 -0.07 0.23 0.00 0.00 176.91 176.58 3h1l h LEU 209 N 0.02 -0.16 0.22 3.39 3.38 0.23 0.42 115.31 122.80 3h1l h LEU 209 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h1l h LEU 209 Cb 0.03 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h1l h LEU 209 CO -0.00 -0.07 -0.21 -0.07 0.09 0.00 0.00 178.44 178.17 3h1l h LEU 210 N -0.05 -0.57 -0.47 1.67 3.38 -1.35 0.48 115.31 118.40 3h1l h LEU 210 Ca 0.05 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3h1l h LEU 210 Cb 0.13 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3h1l h LEU 210 CO -0.11 -0.32 0.19 0.40 0.09 0.00 0.00 178.44 178.69 3h1l h ILE 211 N -0.46 1.21 -0.67 1.22 1.08 -1.24 0.02 117.51 118.66 3h1l h ILE 211 Ca -0.00 -0.64 0.04 0.00 -0.39 0.00 0.00 64.86 63.87 3h1l h ILE 211 Cb 0.43 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 3h1l h ILE 211 CO -0.05 0.24 0.41 -1.28 -0.69 0.00 0.00 178.15 176.78 3h1l h SER 212 N 0.62 0.65 0.49 1.72 0.87 0.04 0.25 113.55 118.20 3h1l h SER 212 Ca 0.16 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3h1l h SER 212 Cb 0.19 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3h1l h SER 212 CO -0.01 0.44 -0.25 0.00 -0.53 0.00 0.00 176.83 176.48 3h1l h ALA 213 N 1.30 -1.16 -0.70 6.23 0.00 0.38 -0.33 119.26 124.98 3h1l h ALA 213 Ca 0.28 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3h1l h ALA 213 Cb 0.06 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 3h1l h ALA 213 CO -0.13 -1.12 0.03 1.25 0.00 0.00 0.00 179.25 179.28 3h1l h LEU 214 N -0.68 -0.27 -0.14 0.00 5.85 -0.88 -2.83 115.31 116.36 3h1l h LEU 214 Ca -0.07 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3h1l h LEU 214 Cb 0.53 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 3h1l h LEU 214 CO 0.10 -0.14 -0.21 0.25 -0.34 0.00 0.00 178.44 178.10 3h1l h LEU 215 N 0.13 0.43 -1.63 2.25 5.85 -0.46 -2.33 115.31 119.55 3h1l h LEU 215 Ca 0.38 -0.52 0.12 0.00 0.84 0.00 0.00 57.88 58.70 3h1l h LEU 215 Cb 0.65 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3h1l h LEU 215 CO -0.59 0.87 0.44 0.74 -0.34 0.00 0.00 178.44 179.55 3h1l h THR 216 N 0.01 0.86 0.17 1.05 2.02 -0.90 -2.11 112.91 114.01 3h1l h THR 216 Ca 0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3h1l h THR 216 Cb 0.78 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3h1l h THR 216 CO 0.05 0.07 -0.08 0.28 0.37 0.00 0.00 175.52 176.21 3h1l h SER 217 N 0.40 -0.20 -0.96 4.18 0.02 -1.40 -1.84 113.55 113.75 3h1l h SER 217 Ca 0.31 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.43 3h1l h SER 217 Cb 0.66 0.05 -0.17 0.00 0.14 0.00 0.00 62.40 63.09 3h1l h SER 217 CO -0.09 -0.11 -0.32 0.18 -1.14 0.00 0.00 176.83 175.35 3h1l n LEU 218 N -2.81 -0.51 0.23 5.07 4.77 -0.89 0.22 117.00 123.08 3h1l n LEU 218 Ca -0.03 1.67 0.09 0.00 -0.03 0.00 0.00 56.01 57.71 3h1l n LEU 218 Cb 0.09 -0.43 0.55 0.00 -2.33 0.00 0.00 43.42 41.30 3h1l n LEU 218 CO 0.07 -1.54 0.86 -0.07 -1.33 0.00 0.00 177.39 175.38 3h1l h LEU 219 N 0.00 0.00 -1.01 2.23 3.38 -1.45 -2.32 115.31 116.14 3h1l h LEU 219 Ca 0.39 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 3h1l h LEU 219 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3h1l h LEU 219 CO -0.97 0.22 -0.46 0.22 0.09 0.00 0.00 178.44 177.54 3h1l h TYR 220 N 0.00 0.08 0.03 1.13 5.03 0.67 -0.80 116.97 123.11 3h1l h TYR 220 Ca -0.00 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 3h1l h TYR 220 Cb 0.51 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.77 3h1l h TYR 220 CO 0.00 0.52 -0.01 -0.92 -1.32 0.00 0.00 178.16 176.43 3h1l h TYR 221 N 0.06 -0.04 -0.88 -3.82 3.20 -1.01 -2.62 116.97 111.86 3h1l h TYR 221 Ca 0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3h1l h TYR 221 Cb 0.84 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 3h1l h TYR 221 CO 0.00 0.60 0.57 0.52 -1.64 0.00 0.00 178.16 178.21 3h1l h MET 222 N -0.72 0.86 -0.32 1.82 2.86 -1.34 0.74 114.93 118.83 3h1l h MET 222 Ca -0.00 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3h1l h MET 222 Cb 0.65 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3h1l h MET 222 CO 0.01 0.57 -0.00 -0.22 1.06 0.00 0.00 176.91 178.32 3h1l h LYS 223 N 0.88 0.57 -0.36 1.72 3.11 -1.18 -2.57 116.57 118.74 3h1l h LYS 223 Ca 0.40 -0.18 -0.07 0.00 -2.81 0.00 0.00 60.65 57.99 3h1l h LYS 223 Cb 0.38 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 3h1l h LYS 223 CO -0.17 0.70 -0.06 0.00 -2.81 0.00 0.00 179.45 177.11 3h1l h ARG 224 N 0.37 0.68 -0.20 1.90 2.47 -0.93 -2.33 114.38 116.35 3h1l h ARG 224 Ca 0.09 -0.25 0.05 0.00 -1.26 0.00 0.00 59.98 58.61 3h1l h ARG 224 Cb 0.45 -0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.65 3h1l h ARG 224 CO 0.02 0.83 -0.40 1.25 0.56 0.00 0.00 179.97 182.23 3h1l h HIS 225 N 0.48 -1.13 0.94 3.04 2.76 0.54 0.26 115.15 122.04 3h1l h HIS 225 Ca 0.10 0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 3h1l h HIS 225 Cb 0.56 0.52 0.01 0.00 1.55 0.00 0.00 27.41 30.05 3h1l h HIS 225 CO 0.05 -0.45 -0.45 0.87 -1.30 0.00 0.00 177.93 176.65 3h1l h LYS 226 N -0.43 -1.22 -0.43 5.26 1.79 -1.49 -3.05 116.57 117.00 3h1l h LYS 226 Ca 0.10 0.08 0.13 0.00 -2.18 0.00 0.00 60.65 58.78 3h1l h LYS 226 Cb 0.60 0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 3h1l h LYS 226 CO -0.43 -0.81 0.47 -1.49 -1.08 0.00 0.00 179.45 176.12 3h1l h TRP 227 N -1.33 0.00 -0.92 -1.35 4.06 -1.17 -2.78 115.95 112.46 3h1l h TRP 227 Ca -0.13 0.00 0.17 0.00 2.06 0.00 0.00 58.89 60.99 3h1l h TRP 227 Cb 0.97 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.96 3h1l h TRP 227 CO -0.00 0.00 -0.28 0.66 -3.56 0.00 0.00 178.44 175.26 3h1l h SER 228 N 0.00 -1.03 -1.00 -3.49 4.64 -0.37 0.75 113.55 113.05 3h1l h SER 228 Ca 0.21 0.28 0.41 0.00 -0.47 0.00 0.00 61.79 62.22 3h1l h SER 228 Cb 1.15 0.62 -0.18 0.00 -0.31 0.00 0.00 62.40 63.68 3h1l h SER 228 CO -0.00 -0.30 0.50 0.52 -0.87 0.00 0.00 176.83 176.68 3h1l n VAL 229 N -5.55 -0.42 0.04 0.95 0.31 -1.05 0.57 118.33 113.18 3h1l n VAL 229 Ca 0.13 2.04 0.03 0.00 -0.01 0.00 0.00 64.34 66.52 3h1l n VAL 229 Cb 0.44 -3.29 -0.08 0.00 -0.91 0.00 0.00 33.84 30.01 3h1l n VAL 229 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3h1l n LEU 230 N -5.28 0.74 -0.04 7.52 4.77 0.24 -3.56 117.00 121.40 3h1l n LEU 230 Ca 0.37 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.53 3h1l n LEU 230 Cb 1.25 0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 42.33 3h1l n LEU 230 CO 0.00 0.09 0.52 0.11 -1.33 0.00 0.00 177.39 176.78 3h1l h LYS 231 N 0.00 0.35 0.00 3.23 1.79 0.21 -3.26 116.57 118.90 3h1l h LYS 231 Ca -0.14 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3h1l h LYS 231 Cb 1.46 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 3h1l h LYS 231 CO 0.03 0.83 0.00 0.66 -1.08 0.00 0.00 179.45 179.89 3h1l h SER 232 N -0.08 0.00 -1.11 0.86 4.64 -1.30 -3.48 113.55 113.08 3h1l h SER 232 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.63 3h1l h SER 232 Cb 0.82 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.00 3h1l h SER 232 CO 0.05 0.00 -0.31 -1.14 -0.87 0.00 0.00 176.83 174.56 3h1l n ARG 233 N -2.53 0.12 -4.67 4.77 0.63 -1.23 -5.00 116.66 108.75 3h1l n ARG 233 Ca 0.05 0.04 -0.25 0.00 -0.92 0.00 0.00 57.85 56.77 3h1l n ARG 233 Cb 0.44 -1.21 -0.16 0.00 0.45 0.00 0.00 32.46 31.97 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 -0.73 1.64 0.08 -0.14 1.02 -1.26 -5.08 119.74 115.27 3h1l s LYS 234 Ca 0.71 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 56.27 3h1l s LYS 234 Cb -1.00 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3h1l s LYS 234 CO 0.56 0.13 -0.14 0.00 -0.92 0.00 0.00 175.35 174.98 3h1l s MET 235 N 0.33 0.84 0.01 1.68 0.23 -1.26 -5.16 119.30 115.98 3h1l s MET 235 Ca -0.09 -1.00 0.00 0.00 -1.03 0.00 0.00 55.69 53.57 3h1l s MET 235 Cb -0.13 -0.81 -0.01 0.00 -1.53 0.00 0.00 34.83 32.35 3h1l s MET 235 CO 0.03 0.17 -0.02 0.00 -2.03 0.00 0.00 175.02 173.17 3h1l s ALA 236 N -1.47 0.12 -0.49 3.16 0.00 -1.26 -5.12 121.76 116.70 3h1l s ALA 236 Ca -0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 3h1l s ALA 236 Cb -0.09 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.22 3h1l s ALA 236 CO 0.02 -0.09 0.40 -0.47 0.00 0.00 0.00 175.76 175.63 3h1l s TYR 237 N -0.93 3.30 -0.86 0.00 5.04 -1.26 -5.00 117.35 117.65 3h1l s TYR 237 Ca -0.10 -1.37 0.01 0.00 -2.44 0.00 0.00 57.07 53.17 3h1l s TYR 237 Cb -0.06 -3.45 0.28 0.00 0.35 0.00 0.00 41.96 39.07 3h1l s TYR 237 CO -0.01 -0.93 1.10 0.54 -1.34 0.00 0.00 175.55 174.91 3h1l n ARG 238 N 5.11 3.47 -0.39 4.97 1.74 -1.26 -5.07 116.66 125.22 3h1l n ARG 238 Ca -0.12 -4.61 -0.28 0.00 -0.77 0.00 0.00 57.85 52.07 3h1l n ARG 238 Cb 0.41 -2.39 0.25 0.00 -1.02 0.00 0.00 32.46 29.72 3h1l n ARG 238 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3h1l n PRO 239 N 1.15 -3.49 -2.41 5.56 -0.04 -1.26 -4.94 135.00 129.57 3h1l n PRO 239 Ca 0.28 -1.02 -0.40 0.00 -0.04 0.00 0.00 63.50 62.31 3h1l n PRO 239 Cb 0.37 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 31.91 3h1l n PRO 239 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3h1l s PRO 240 N -4.43 4.54 0.00 0.54 0.04 -1.26 -5.33 135.00 129.10 3h1l s PRO 240 Ca 0.61 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3h1l s PRO 240 Cb -0.15 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3h1l s PRO 240 CO 0.56 0.10 0.02 1.17 0.04 0.00 0.00 177.00 178.89