#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9l n ALA 2 N 0.00 1.60 -3.00 3.04 0.00 -1.26 -4.14 120.51 116.74 1m9l n ALA 2 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1m9l n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1m9l n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1m9l n LYS 3 N -2.31 2.74 -3.15 0.00 4.76 -1.26 -4.29 118.16 114.64 1m9l n LYS 3 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1m9l n LYS 3 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1m9l n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1m9l s ALA 4 N -2.00 -2.41 0.00 7.82 0.00 -1.26 -4.87 121.76 119.03 1m9l s ALA 4 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1m9l s ALA 4 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1m9l s ALA 4 CO 0.00 -1.71 0.00 0.25 0.00 0.00 0.00 175.76 174.30 1m9l n THR 5 N 5.42 0.00 -3.17 0.00 -2.24 -1.26 -4.46 114.28 108.58 1m9l n THR 5 Ca 0.03 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 1m9l n THR 5 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1m9l n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1m9l s THR 6 N 2.22 4.40 0.10 4.28 2.01 -1.26 -3.75 115.64 123.63 1m9l s THR 6 Ca 0.00 -0.53 -0.33 0.00 0.31 0.00 0.00 61.69 61.14 1m9l s THR 6 Cb 0.00 -3.61 -0.14 0.00 0.01 0.00 0.00 72.50 68.76 1m9l s THR 6 CO 0.00 -0.40 1.58 -0.29 -0.69 0.00 0.00 174.62 174.82 1m9l h ILE 7 N 0.57 0.11 0.63 1.82 -0.00 -1.91 0.90 117.51 119.62 1m9l h ILE 7 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.36 1m9l h ILE 7 Cb 1.24 0.11 -0.01 0.00 -0.00 0.00 0.00 36.82 38.15 1m9l h ILE 7 CO 0.58 0.00 -0.51 0.11 -0.00 0.00 0.00 178.15 178.34 1m9l h LYS 8 N -0.83 -1.06 0.29 2.19 1.57 -1.96 -0.45 116.57 116.32 1m9l h LYS 8 Ca -0.02 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1m9l h LYS 8 Cb 0.77 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1m9l h LYS 8 CO -0.14 -0.71 -0.33 0.22 -0.57 0.00 0.00 179.45 177.92 1m9l h ASP 9 N -1.10 -0.91 -0.27 0.86 3.58 -1.97 -1.64 116.42 114.97 1m9l h ASP 9 Ca -0.08 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.51 1m9l h ASP 9 Cb 0.92 0.31 -0.05 0.00 1.72 0.00 0.00 39.33 42.24 1m9l h ASP 9 CO 0.01 -0.46 -0.06 0.00 -2.88 0.00 0.00 179.24 175.85 1m9l h ALA 10 N -0.13 0.19 -0.81 -0.78 0.00 -0.81 0.30 119.26 117.22 1m9l h ALA 10 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1m9l h ALA 10 Cb 0.62 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1m9l h ALA 10 CO -0.09 -0.46 0.46 0.82 0.00 0.00 0.00 179.25 179.98 1m9l h ILE 11 N 0.01 1.24 -0.61 0.00 2.04 -0.92 0.18 117.51 119.44 1m9l h ILE 11 Ca 0.13 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1m9l h ILE 11 Cb 0.20 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1m9l h ILE 11 CO -0.28 0.26 0.18 -0.09 0.00 0.00 0.00 178.15 178.22 1m9l h ARG 12 N 1.12 0.96 0.00 2.37 2.43 -0.96 -1.03 114.38 119.26 1m9l h ARG 12 Ca 0.29 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1m9l h ARG 12 Cb 0.01 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1m9l h ARG 12 CO -0.05 0.86 -0.04 0.82 -1.51 0.00 0.00 179.97 180.05 1m9l h ILE 13 N 0.88 0.82 0.06 1.20 2.04 0.17 0.11 117.51 122.79 1m9l h ILE 13 Ca 0.20 -0.14 -0.24 0.00 1.00 0.00 0.00 64.86 65.68 1m9l h ILE 13 Cb 0.31 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1m9l h ILE 13 CO -0.00 0.04 -1.08 -0.26 0.00 0.00 0.00 178.15 176.84 1m9l h PHE 14 N 0.00 0.34 0.00 1.37 0.04 -0.03 0.12 116.94 118.78 1m9l h PHE 14 Ca -0.00 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 60.51 1m9l h PHE 14 Cb 0.08 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1m9l h PHE 14 CO 0.00 1.14 -0.13 1.49 -0.60 0.00 0.00 178.31 180.21 1m9l h GLU 15 N 0.07 0.00 0.00 1.51 4.81 0.40 0.42 114.58 121.80 1m9l h GLU 15 Ca -0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1m9l h GLU 15 Cb 1.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 1m9l h GLU 15 CO 0.17 0.13 -1.08 0.39 -0.73 0.00 0.00 179.01 177.89 1m9l n GLU 16 N -3.52 0.52 0.02 1.92 1.02 0.09 -3.71 120.64 116.99 1m9l n GLU 16 Ca -0.01 0.27 -0.02 0.00 -0.02 0.00 0.00 57.16 57.38 1m9l n GLU 16 Cb 0.27 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1m9l n GLU 16 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1m9l h ARG 17 N -1.00 -0.12 -0.29 3.49 2.43 -0.90 -3.29 114.38 114.69 1m9l h ARG 17 Ca -0.07 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1m9l h ARG 17 Cb 0.99 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1m9l h ARG 17 CO -0.05 -0.08 0.20 -0.22 -1.51 0.00 0.00 179.97 178.31 1m9l h LYS 18 N -0.66 0.27 -4.45 0.20 3.11 -1.61 -3.47 116.57 109.96 1m9l h LYS 18 Ca -0.01 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.66 1m9l h LYS 18 Cb 0.10 -0.06 0.12 0.00 -1.00 0.00 0.00 32.23 31.39 1m9l h LYS 18 CO 0.02 0.18 -0.51 -1.13 -2.81 0.00 0.00 179.45 175.20 1m9l n SER 19 N -4.49 -4.64 -2.07 4.20 3.41 0.14 -4.98 113.62 105.19 1m9l n SER 19 Ca 0.02 -0.42 -0.09 0.00 -0.26 0.00 0.00 58.87 58.12 1m9l n SER 19 Cb 0.16 -3.33 -0.04 0.00 -0.26 0.00 0.00 64.21 60.74 1m9l n SER 19 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1m9l n VAL 20 N -2.56 0.00 -3.47 -3.33 0.24 -0.71 -4.96 118.33 103.55 1m9l n VAL 20 Ca -0.05 -1.14 -0.43 0.00 -2.04 0.00 0.00 64.34 60.68 1m9l n VAL 20 Cb 0.57 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.43 1m9l n VAL 20 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1m9l s VAL 21 N -2.62 4.58 -0.15 3.34 1.01 -1.26 -4.20 120.40 121.09 1m9l s VAL 21 Ca 0.18 -1.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.25 1m9l s VAL 21 Cb 0.01 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1m9l s VAL 21 CO 0.13 -0.82 -0.32 0.00 0.00 0.00 0.00 175.10 174.09 1m9l n ALA 22 N 4.95 1.07 0.00 5.51 0.00 -1.26 -3.79 120.51 127.00 1m9l n ALA 22 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1m9l n ALA 22 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1m9l n ALA 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1m9l n THR 23 N -4.37 0.00 0.00 0.00 -1.04 -1.26 -1.67 114.28 105.94 1m9l n THR 23 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1m9l n THR 23 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1m9l n THR 23 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1m9l n GLU 24 N 0.00 0.00 -1.42 -2.82 2.13 -1.26 -5.13 120.64 112.14 1m9l n GLU 24 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1m9l n GLU 24 Cb 0.00 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.80 1m9l n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1m9l s ALA 25 N -2.00 2.28 0.27 4.31 0.00 -0.67 -4.86 121.76 121.10 1m9l s ALA 25 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1m9l s ALA 25 Cb 0.00 -3.19 0.36 0.00 0.00 0.00 0.00 23.12 20.29 1m9l s ALA 25 CO 0.00 -1.67 1.91 0.93 0.00 0.00 0.00 175.76 176.92 1m9l h GLU 26 N -1.05 1.11 -5.64 0.00 3.07 -1.89 -3.38 114.58 106.80 1m9l h GLU 26 Ca -0.45 -0.11 -0.62 0.00 -0.50 0.00 0.00 59.36 57.68 1m9l h GLU 26 Cb 1.24 -0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 28.79 1m9l h GLU 26 CO 0.55 0.80 0.59 0.15 -1.40 0.00 0.00 179.01 179.70 1m9l s LYS 27 N -5.78 3.18 -0.36 2.33 1.02 -1.26 0.02 119.74 118.89 1m9l s LYS 27 Ca -0.12 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 1m9l s LYS 27 Cb 0.17 -4.17 0.09 0.00 -0.52 0.00 0.00 37.83 33.40 1m9l s LYS 27 CO 0.81 -1.74 0.11 0.08 -0.92 0.00 0.00 175.35 173.68 1m9l s VAL 28 N 4.17 3.03 -1.03 3.17 1.01 -0.65 -4.81 120.40 125.29 1m9l s VAL 28 Ca 0.26 -1.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 1m9l s VAL 28 Cb -0.15 -2.99 0.14 0.00 0.00 0.00 0.00 36.38 33.38 1m9l s VAL 28 CO 0.13 -0.48 1.26 -1.61 0.00 0.00 0.00 175.10 174.41 1m9l s GLU 29 N 1.14 3.77 0.00 2.72 8.01 -1.25 -1.45 118.70 131.64 1m9l s GLU 29 Ca 0.04 -2.00 0.00 0.00 0.01 0.00 0.00 54.97 53.02 1m9l s GLU 29 Cb -0.21 -5.01 0.00 0.00 -4.31 0.00 0.00 34.13 24.60 1m9l s GLU 29 CO -0.04 -1.81 0.00 1.28 0.01 0.00 0.00 175.26 174.71 1m9l n LEU 30 N 6.44 0.00 0.00 1.80 4.77 -0.38 -4.42 117.00 125.21 1m9l n LEU 30 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1m9l n LEU 30 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1m9l n LEU 30 CO 0.56 -0.16 0.00 1.57 -1.33 0.00 0.00 177.39 178.02 1m9l n HIS 31 N -0.33 0.00 -3.43 -1.77 -0.00 -1.26 -4.57 115.22 103.86 1m9l n HIS 31 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 1m9l n HIS 31 Cb 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1m9l n HIS 31 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1m9l s GLY 32 N -0.38 -0.60 -0.03 1.57 0.00 -1.26 -1.51 107.32 105.11 1m9l s GLY 32 Ca 0.00 0.52 -0.18 0.00 0.00 0.00 0.00 44.72 45.06 1m9l s GLY 32 CO 0.00 0.17 0.40 -0.29 0.00 0.00 0.00 173.10 173.37 1m9l s MET 33 N -3.70 0.73 0.15 2.90 0.00 -0.51 0.21 119.30 119.08 1m9l s MET 33 Ca 0.02 -0.03 -0.28 0.00 0.00 0.00 0.00 55.69 55.40 1m9l s MET 33 Cb -0.01 0.33 -0.07 0.00 0.00 0.00 0.00 34.83 35.08 1m9l s MET 33 CO -0.12 -0.20 0.87 0.96 0.00 0.00 0.00 175.02 176.53 1m9l s ILE 34 N -1.16 4.40 0.21 10.11 -5.25 -1.26 -3.19 121.20 125.05 1m9l s ILE 34 Ca -0.12 1.90 -0.19 0.00 -0.99 0.00 0.00 60.65 61.26 1m9l s ILE 34 Cb -0.04 -4.24 0.18 0.00 2.95 0.00 0.00 42.46 41.31 1m9l s ILE 34 CO 0.05 0.43 1.58 -0.65 -1.79 0.00 0.00 174.94 174.55 1m9l h PRO 35 N 4.91 -0.09 -0.14 0.37 0.10 -1.94 -1.63 132.00 133.58 1m9l h PRO 35 Ca -0.45 0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.66 1m9l h PRO 35 Cb 1.21 0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.33 1m9l h PRO 35 CO 0.69 -0.06 0.00 -0.35 0.10 0.00 0.00 178.00 178.38 1m9l n PRO 36 N -5.45 0.29 -1.67 1.05 -0.04 -1.26 -0.90 135.00 127.03 1m9l n PRO 36 Ca 0.07 0.00 -0.59 0.00 -0.04 0.00 0.00 63.50 62.94 1m9l n PRO 36 Cb 0.37 -1.07 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1m9l n PRO 36 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1m9l n ILE 37 N -0.10 0.23 0.00 0.52 3.06 -0.61 -4.80 119.36 117.65 1m9l n ILE 37 Ca 0.00 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1m9l n ILE 37 Cb 0.03 -1.09 0.00 0.00 0.54 0.00 0.00 39.64 39.12 1m9l n ILE 37 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1m9l n GLU 38 N 5.55 0.00 -3.85 9.51 2.13 -1.25 -1.64 120.64 131.09 1m9l n GLU 38 Ca 0.31 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.76 1m9l n GLU 38 Cb 0.09 -0.03 -0.07 0.00 0.27 0.00 0.00 31.44 31.70 1m9l n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1m9l s LYS 39 N 0.00 3.67 -0.97 5.31 1.02 -1.26 -3.69 119.74 123.82 1m9l s LYS 39 Ca 0.00 -0.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.81 1m9l s LYS 39 Cb 0.00 -3.25 0.33 0.00 -0.52 0.00 0.00 37.83 34.39 1m9l s LYS 39 CO 0.00 0.63 1.88 -1.33 -0.92 0.00 0.00 175.35 175.60 1m9l n MET 40 N 2.47 4.63 -0.03 1.68 2.81 -1.26 -4.04 117.12 123.38 1m9l n MET 40 Ca -0.19 -4.33 0.18 0.00 -1.81 0.00 0.00 57.70 51.55 1m9l n MET 40 Cb 0.54 -2.41 0.63 0.00 -0.71 0.00 0.00 33.22 31.27 1m9l n MET 40 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1m9l h ASP 41 N 3.83 0.13 0.16 7.83 1.82 -1.89 -1.20 116.42 127.10 1m9l h ASP 41 Ca 0.54 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 57.20 1m9l h ASP 41 Cb 0.24 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 1m9l h ASP 41 CO 1.25 0.07 -0.49 0.00 -1.61 0.00 0.00 179.24 178.46 1m9l h ALA 42 N 1.72 -0.99 0.09 -0.78 0.00 -1.82 -1.48 119.26 116.00 1m9l h ALA 42 Ca 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1m9l h ALA 42 Cb 0.87 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1m9l h ALA 42 CO -0.04 -1.10 -0.33 1.15 0.00 0.00 0.00 179.25 178.93 1m9l h THR 43 N -0.73 0.29 -0.86 0.00 2.02 -1.64 0.55 112.91 112.54 1m9l h THR 43 Ca -0.01 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.34 1m9l h THR 43 Cb 0.72 0.29 -0.16 0.00 -1.74 0.00 0.00 68.15 67.26 1m9l h THR 43 CO -0.24 0.00 -0.21 -0.11 0.37 0.00 0.00 175.52 175.33 1m9l n LEU 44 N -5.42 -0.30 -0.07 2.58 7.94 -0.58 0.55 117.00 121.69 1m9l n LEU 44 Ca -0.06 1.47 -0.06 0.00 -1.11 0.00 0.00 56.01 56.25 1m9l n LEU 44 Cb 0.34 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.81 1m9l n LEU 44 CO 0.21 -1.41 -0.23 -1.28 -1.11 0.00 0.00 177.39 173.57 1m9l h SER 45 N 0.00 0.00 0.00 1.96 0.87 -1.09 -3.35 113.55 111.94 1m9l h SER 45 Ca 0.41 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1m9l h SER 45 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1m9l h SER 45 CO -0.88 0.80 0.08 1.07 -0.53 0.00 0.00 176.83 177.37 1m9l n THR 46 N -4.64 0.91 -0.37 2.23 5.66 0.17 -1.88 114.28 116.37 1m9l n THR 46 Ca -0.09 0.31 -0.01 0.00 -3.05 0.00 0.00 64.05 61.22 1m9l n THR 46 Cb 0.26 -1.31 0.04 0.00 -1.55 0.00 0.00 70.33 67.77 1m9l n THR 46 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1m9l n LEU 47 N -1.18 -0.62 -0.34 1.09 0.00 0.19 0.03 117.00 116.18 1m9l n LEU 47 Ca 0.00 1.69 0.17 0.00 0.00 0.00 0.00 56.01 57.87 1m9l n LEU 47 Cb 0.08 -0.39 0.34 0.00 0.00 0.00 0.00 43.42 43.46 1m9l n LEU 47 CO 0.00 -1.52 0.85 0.50 0.00 0.00 0.00 177.39 177.23 1m9l h LYS 48 N 0.00 0.02 0.00 1.96 3.64 -1.66 -0.18 116.57 120.36 1m9l h LYS 48 Ca 0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1m9l h LYS 48 Cb 0.58 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1m9l h LYS 48 CO -0.96 0.01 -1.69 0.00 -2.27 0.00 0.00 179.45 174.54 1m9l n ALA 49 N -2.96 2.77 -1.28 5.00 0.00 0.46 -5.05 120.51 119.45 1m9l n ALA 49 Ca 0.26 -0.44 -0.50 0.00 0.00 0.00 0.00 53.44 52.76 1m9l n ALA 49 Cb 0.85 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 1m9l n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9l n LYS 51 N 2.34 0.00 -3.43 0.00 4.81 -1.23 -4.38 118.16 116.26 1m9l n LYS 51 Ca 0.21 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.25 1m9l n LYS 51 Cb -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.01 1m9l n LYS 51 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1m9l n HIS 52 N -2.71 4.38 -2.44 5.64 -0.00 0.10 -0.22 115.22 119.97 1m9l n HIS 52 Ca 0.00 -3.86 -0.41 0.00 0.46 0.00 0.00 57.72 53.91 1m9l n HIS 52 Cb 0.00 -1.35 -0.03 0.00 -0.12 0.00 0.00 29.99 28.49 1m9l n HIS 52 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1m9l s LEU 53 N -1.58 3.35 -0.30 0.27 2.96 -0.35 -1.63 118.68 121.39 1m9l s LEU 53 Ca 0.30 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 1m9l s LEU 53 Cb -0.06 -2.92 0.03 0.00 0.50 0.00 0.00 46.19 43.74 1m9l s LEU 53 CO -0.07 -1.74 0.06 0.00 -1.32 0.00 0.00 176.35 173.27 1m9l s ALA 54 N 5.99 2.98 0.00 5.97 0.00 -0.53 -0.39 121.76 135.78 1m9l s ALA 54 Ca 0.48 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1m9l s ALA 54 Cb -0.10 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1m9l s ALA 54 CO 0.22 -1.08 0.00 1.28 0.00 0.00 0.00 175.76 176.18 1m9l n LEU 55 N 4.79 0.00 0.20 0.00 7.99 -0.60 -1.24 117.00 128.14 1m9l n LEU 55 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 1m9l n LEU 55 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1m9l n LEU 55 CO 0.30 0.00 0.00 -0.24 -1.51 0.00 0.00 177.39 175.94 1m9l n SER 56 N -0.22 -3.56 -3.93 -1.43 2.88 -1.09 -4.64 113.62 101.62 1m9l n SER 56 Ca 0.00 0.78 -0.30 0.00 -1.33 0.00 0.00 58.87 58.02 1m9l n SER 56 Cb 0.00 3.39 -0.16 0.00 -0.75 0.00 0.00 64.21 66.69 1m9l n SER 56 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1m9l s THR 57 N -1.82 1.45 0.19 2.46 -1.32 -0.57 0.05 115.64 116.07 1m9l s THR 57 Ca 0.00 -1.09 -0.15 0.00 -1.21 0.00 0.00 61.69 59.24 1m9l s THR 57 Cb 0.00 -1.69 0.02 0.00 -1.51 0.00 0.00 72.50 69.32 1m9l s THR 57 CO 0.00 -0.03 0.46 0.54 -2.21 0.00 0.00 174.62 173.38 1m9l s ASN 58 N 1.44 -0.19 0.08 8.08 4.22 -0.27 -1.42 114.94 126.88 1m9l s ASN 58 Ca -0.04 -0.57 0.05 0.00 -2.14 0.00 0.00 52.86 50.16 1m9l s ASN 58 Cb -0.18 0.54 -0.03 0.00 1.28 0.00 0.00 41.25 42.86 1m9l s ASN 58 CO -0.07 -1.01 -0.14 0.20 -2.04 0.00 0.00 177.10 174.04 1m9l s ASN 59 N -2.89 1.73 -0.18 3.54 0.01 -1.19 -1.54 114.94 114.41 1m9l s ASN 59 Ca 0.11 -0.65 -0.03 0.00 -0.71 0.00 0.00 52.86 51.58 1m9l s ASN 59 Cb 0.00 -0.05 0.06 0.00 0.41 0.00 0.00 41.25 41.67 1m9l s ASN 59 CO -0.02 -0.09 0.04 -0.63 -1.51 0.00 0.00 177.10 174.88 1m9l s ILE 60 N -1.44 0.48 -0.18 0.60 1.01 0.26 -3.54 121.20 118.39 1m9l s ILE 60 Ca -0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 1m9l s ILE 60 Cb -0.09 -0.97 -0.17 0.00 0.01 0.00 0.00 42.46 41.23 1m9l s ILE 60 CO 0.02 -0.18 0.26 -0.33 0.00 0.00 0.00 174.94 174.71 1m9l h GLU 61 N 8.26 0.00 -4.10 2.79 4.39 -1.18 -3.33 114.58 121.40 1m9l h GLU 61 Ca -0.16 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.21 1m9l h GLU 61 Cb 1.12 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.47 1m9l h GLU 61 CO 0.33 0.83 -0.75 0.21 -1.16 0.00 0.00 179.01 178.46 1m9l s LYS 62 N -2.28 0.42 -0.18 2.33 2.47 -0.65 -4.71 119.74 117.12 1m9l s LYS 62 Ca -0.24 -0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1m9l s LYS 62 Cb 0.03 -0.45 0.01 0.00 -1.46 0.00 0.00 37.83 35.97 1m9l s LYS 62 CO 0.54 0.03 -0.17 -1.50 0.16 0.00 0.00 175.35 174.40 1m9l s ILE 63 N 0.25 2.34 -0.21 5.43 -1.16 -1.25 -3.94 121.20 122.66 1m9l s ILE 63 Ca -0.02 -0.85 0.13 0.00 -0.51 0.00 0.00 60.65 59.40 1m9l s ILE 63 Cb -0.06 -2.00 -0.22 0.00 0.61 0.00 0.00 42.46 40.79 1m9l s ILE 63 CO -0.00 0.52 -0.00 -0.24 -2.81 0.00 0.00 174.94 172.40 1m9l n SER 64 N 4.59 0.67 -2.99 4.50 2.88 -1.24 -4.73 113.62 117.29 1m9l n SER 64 Ca -0.20 -0.03 -0.33 0.00 -1.33 0.00 0.00 58.87 56.97 1m9l n SER 64 Cb 0.50 0.64 -0.04 0.00 -0.75 0.00 0.00 64.21 64.57 1m9l n SER 64 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1m9l n SER 65 N -2.84 7.32 -0.22 -3.46 3.41 -1.26 -4.70 113.62 111.86 1m9l n SER 65 Ca -0.35 -3.08 -0.06 0.00 -0.26 0.00 0.00 58.87 55.12 1m9l n SER 65 Cb 1.09 -1.33 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1m9l n SER 65 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1m9l h LEU 66 N 5.01 0.74 -0.17 1.04 -0.00 -1.88 -1.28 115.31 118.77 1m9l h LEU 66 Ca 0.56 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.40 1m9l h LEU 66 Cb 0.54 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1m9l h LEU 66 CO 1.19 0.57 0.00 -1.54 -0.00 0.00 0.00 178.44 178.65 1m9l n SER 67 N -4.62 0.13 -0.07 0.17 3.41 -1.26 -0.95 113.62 110.43 1m9l n SER 67 Ca 0.05 0.54 -0.19 0.00 -0.26 0.00 0.00 58.87 59.00 1m9l n SER 67 Cb 0.04 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 63.30 1m9l n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m9l n GLY 68 N -0.36 -0.47 0.33 5.00 0.00 -0.82 -3.83 105.19 105.03 1m9l n GLY 68 Ca 0.02 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1m9l n GLY 68 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1m9l h MET 69 N 0.03 0.18 -3.98 1.61 2.07 -0.76 -3.06 114.93 111.02 1m9l h MET 69 Ca -0.51 -0.01 -0.58 0.00 -2.07 0.00 0.00 59.70 56.52 1m9l h MET 69 Cb 1.97 -0.04 0.02 0.00 -1.87 0.00 0.00 31.60 31.68 1m9l h MET 69 CO -0.01 0.12 2.65 -1.91 1.07 0.00 0.00 176.91 178.83 1m9l n GLU 70 N -4.47 2.07 0.00 1.72 2.13 -0.12 -1.12 120.64 120.85 1m9l n GLU 70 Ca 0.05 -1.88 0.00 0.00 0.66 0.00 0.00 57.16 55.99 1m9l n GLU 70 Cb 0.32 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.20 1m9l n GLU 70 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1m9l n ASN 71 N 5.99 0.00 -4.74 4.31 2.85 -1.16 -4.94 115.26 117.57 1m9l n ASN 71 Ca 0.51 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.56 1m9l n ASN 71 Cb 0.31 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.33 1m9l n ASN 71 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1m9l n LEU 72 N 0.00 4.23 -0.03 1.20 7.94 -0.28 -4.78 117.00 125.30 1m9l n LEU 72 Ca 0.00 1.22 -0.06 0.00 -1.11 0.00 0.00 56.01 56.05 1m9l n LEU 72 Cb 0.00 -1.56 -0.02 0.00 0.53 0.00 0.00 43.42 42.37 1m9l n LEU 72 CO 0.00 -0.14 -0.45 0.54 -1.11 0.00 0.00 177.39 176.23 1m9l n ARG 73 N 0.47 0.25 -3.26 1.96 3.00 -1.24 -4.08 116.66 113.76 1m9l n ARG 73 Ca 0.03 0.10 -0.46 0.00 -0.01 0.00 0.00 57.85 57.51 1m9l n ARG 73 Cb 0.38 -0.93 -0.04 0.00 0.00 0.00 0.00 32.46 31.87 1m9l n ARG 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1m9l s ILE 74 N -2.38 5.23 -0.57 0.55 1.01 0.69 -1.50 121.20 124.22 1m9l s ILE 74 Ca -0.14 -1.69 -0.21 0.00 0.00 0.00 0.00 60.65 58.61 1m9l s ILE 74 Cb 0.03 -4.43 0.07 0.00 0.01 0.00 0.00 42.46 38.14 1m9l s ILE 74 CO 0.20 -1.00 0.80 -0.22 0.00 0.00 0.00 174.94 174.72 1m9l s LEU 75 N 1.45 4.72 -0.85 2.97 0.20 -0.49 -1.21 118.68 125.47 1m9l s LEU 75 Ca 0.11 -0.93 0.01 0.00 0.69 0.00 0.00 54.13 54.01 1m9l s LEU 75 Cb -0.22 -2.49 0.29 0.00 -0.43 0.00 0.00 46.19 43.34 1m9l s LEU 75 CO -0.01 -1.16 1.17 -1.20 -0.29 0.00 0.00 176.35 174.87 1m9l n SER 76 N 6.89 5.27 -2.28 3.68 7.64 0.48 -0.82 113.62 134.48 1m9l n SER 76 Ca -0.05 -3.49 -0.04 0.00 1.01 0.00 0.00 58.87 56.31 1m9l n SER 76 Cb 0.45 -0.95 0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1m9l n SER 76 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1m9l n LEU 77 N 0.82 0.00 0.00 -3.43 7.94 0.10 -1.55 117.00 120.87 1m9l n LEU 77 Ca 0.30 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1m9l n LEU 77 Cb 0.36 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1m9l n LEU 77 CO 0.54 -0.61 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 1m9l n GLY 78 N 3.86 -0.36 2.73 -3.96 0.00 -1.26 -4.44 105.19 101.77 1m9l n GLY 78 Ca 0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1m9l n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1m9l s ARG 79 N -1.65 0.16 0.34 1.61 3.00 0.11 -0.50 118.95 122.03 1m9l s ARG 79 Ca 0.00 0.17 -0.16 0.00 -1.00 0.00 0.00 55.73 54.74 1m9l s ARG 79 Cb 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 34.95 33.72 1m9l s ARG 79 CO 0.00 -0.64 0.73 0.54 0.00 0.00 0.00 175.30 175.93 1m9l s ASN 80 N 2.29 -0.02 -0.04 -2.12 6.03 -0.41 -1.12 114.94 119.56 1m9l s ASN 80 Ca 0.06 -0.99 0.05 0.00 -1.03 0.00 0.00 52.86 50.94 1m9l s ASN 80 Cb -0.16 0.79 -0.01 0.00 -3.03 0.00 0.00 41.25 38.85 1m9l s ASN 80 CO -0.11 -1.53 -0.17 -0.76 -2.03 0.00 0.00 177.10 172.50 1m9l s LEU 81 N -3.03 1.94 -0.01 3.54 1.02 -0.59 -1.58 118.68 119.98 1m9l s LEU 81 Ca 0.15 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 53.98 1m9l s LEU 81 Cb -0.05 -0.95 -0.00 0.00 0.02 0.00 0.00 46.19 45.21 1m9l s LEU 81 CO 0.11 0.17 -0.07 -0.63 0.02 0.00 0.00 176.35 175.95 1m9l s ILE 82 N -0.07 0.54 0.04 -0.59 1.01 -0.35 -0.57 121.20 121.21 1m9l s ILE 82 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1m9l s ILE 82 Cb -0.10 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.90 1m9l s ILE 82 CO 0.01 0.16 -0.02 0.29 0.00 0.00 0.00 174.94 175.38 1m9l n LYS 83 N 2.95 0.03 0.00 2.79 4.01 -1.25 -4.03 118.16 122.66 1m9l n LYS 83 Ca -0.14 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 1m9l n LYS 83 Cb 0.57 -0.55 0.00 0.00 -0.51 0.00 0.00 35.03 34.54 1m9l n LYS 83 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1m9l n LYS 84 N -3.33 3.14 -3.28 1.97 4.01 -1.26 -4.56 118.16 114.86 1m9l n LYS 84 Ca -0.02 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.74 1m9l n LYS 84 Cb 0.26 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.72 1m9l n LYS 84 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1m9l s ILE 85 N 1.57 -0.75 0.00 -0.18 -1.16 -1.26 -4.79 121.20 114.63 1m9l s ILE 85 Ca 0.00 -0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.08 1m9l s ILE 85 Cb 0.00 -0.89 0.00 0.00 0.61 0.00 0.00 42.46 42.18 1m9l s ILE 85 CO 0.00 -0.09 0.00 1.21 -2.81 0.00 0.00 174.94 173.25 1m9l n GLU 86 N 5.39 0.00 0.13 3.50 2.13 -1.26 -4.92 120.64 125.61 1m9l n GLU 86 Ca -0.02 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.87 1m9l n GLU 86 Cb 0.50 -0.02 0.04 0.00 0.27 0.00 0.00 31.44 32.24 1m9l n GLU 86 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1m9l h ASN 87 N 0.00 0.00 -0.42 4.31 -1.07 -1.93 -3.35 115.58 113.12 1m9l h ASN 87 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.40 1m9l h ASN 87 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1m9l h ASN 87 CO 0.00 0.21 0.23 -0.07 0.07 0.00 0.00 177.43 177.87 1m9l h LEU 88 N 0.00 0.36 -1.26 6.14 3.38 -1.94 -1.45 115.31 120.55 1m9l h LEU 88 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1m9l h LEU 88 Cb 1.19 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1m9l h LEU 88 CO 0.02 0.26 0.46 0.44 0.09 0.00 0.00 178.44 179.71 1m9l h ASP 89 N 0.47 0.84 0.05 -0.43 3.32 -1.90 0.18 116.42 118.94 1m9l h ASP 89 Ca 0.17 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1m9l h ASP 89 Cb 0.04 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1m9l h ASP 89 CO -0.10 0.62 -0.02 0.00 -1.72 0.00 0.00 179.24 178.02 1m9l h ALA 90 N 1.52 -0.07 -0.51 3.45 0.00 -1.56 0.67 119.26 122.76 1m9l h ALA 90 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1m9l h ALA 90 Cb -0.08 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1m9l h ALA 90 CO -0.05 -0.31 0.23 -0.39 0.00 0.00 0.00 179.25 178.72 1m9l h VAL 91 N -0.52 1.18 -0.12 0.00 -1.51 -1.16 -1.01 116.25 113.11 1m9l h VAL 91 Ca -0.01 -0.53 -0.09 0.00 -1.23 0.00 0.00 66.70 64.84 1m9l h VAL 91 Cb 0.47 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1m9l h VAL 91 CO 0.01 0.21 -0.33 0.00 -1.23 0.00 0.00 177.57 176.23 1m9l h ALA 92 N 1.53 1.23 -0.32 5.19 0.00 -0.84 0.42 119.26 126.47 1m9l h ALA 92 Ca 0.18 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1m9l h ALA 92 Cb 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1m9l h ALA 92 CO -0.02 0.52 -0.34 -0.44 0.00 0.00 0.00 179.25 178.97 1m9l h ASP 93 N 0.20 0.85 0.00 0.00 3.32 0.40 -3.43 116.42 117.76 1m9l h ASP 93 Ca 0.03 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1m9l h ASP 93 Cb 0.69 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1m9l h ASP 93 CO 0.05 1.15 -0.38 1.07 -1.72 0.00 0.00 179.24 179.42 1m9l n THR 94 N -4.18 0.00 -0.45 0.35 5.66 -0.66 -5.09 114.28 109.91 1m9l n THR 94 Ca -0.03 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.68 1m9l n THR 94 Cb 0.51 -0.35 0.27 0.00 -1.55 0.00 0.00 70.33 69.21 1m9l n THR 94 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1m9l s LEU 95 N -2.09 0.43 0.00 1.09 0.20 0.15 -4.94 118.68 113.52 1m9l s LEU 95 Ca 0.00 1.46 0.00 0.00 0.69 0.00 0.00 54.13 56.28 1m9l s LEU 95 Cb 0.00 -3.26 0.00 0.00 -0.43 0.00 0.00 46.19 42.50 1m9l s LEU 95 CO 0.00 -4.52 0.00 1.21 -0.29 0.00 0.00 176.35 172.75 1m9l n GLU 96 N -5.13 0.00 -3.45 1.98 2.13 -1.25 -4.73 120.64 110.19 1m9l n GLU 96 Ca 0.03 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.43 1m9l n GLU 96 Cb 0.55 -0.15 -0.03 0.00 0.27 0.00 0.00 31.44 32.08 1m9l n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1m9l s GLU 97 N -1.68 3.83 -1.20 5.31 2.02 -0.56 -1.70 118.70 124.72 1m9l s GLU 97 Ca 0.00 -3.22 -0.17 0.00 0.02 0.00 0.00 54.97 51.60 1m9l s GLU 97 Cb 0.00 -4.32 0.12 0.00 0.10 0.00 0.00 34.13 30.03 1m9l s GLU 97 CO 0.00 -1.25 1.52 -0.51 0.02 0.00 0.00 175.26 175.04 1m9l s LEU 98 N -1.26 4.44 -0.65 1.80 1.43 -0.48 -1.39 118.68 122.57 1m9l s LEU 98 Ca 0.29 -2.54 -0.17 0.00 -1.03 0.00 0.00 54.13 50.67 1m9l s LEU 98 Cb -0.09 -2.48 0.13 0.00 0.03 0.00 0.00 46.19 43.78 1m9l s LEU 98 CO -0.10 -1.01 0.71 0.26 0.23 0.00 0.00 176.35 176.44 1m9l s TRP 99 N 3.02 3.18 -0.37 0.29 0.51 0.00 -1.16 118.94 124.41 1m9l s TRP 99 Ca 0.46 -1.24 0.13 0.00 -2.12 0.00 0.00 56.10 53.34 1m9l s TRP 99 Cb -0.00 -3.97 0.42 0.00 -0.81 0.00 0.00 33.47 29.11 1m9l s TRP 99 CO 0.01 -1.21 0.93 0.44 -0.51 0.00 0.00 176.95 176.61 1m9l n ILE 100 N 5.23 1.15 -0.00 2.03 -5.35 -0.58 -0.72 119.36 121.11 1m9l n ILE 100 Ca -0.04 -3.92 -0.00 0.00 -0.27 0.00 0.00 62.75 58.52 1m9l n ILE 100 Cb 0.43 -0.04 -0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1m9l n ILE 100 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1m9l n SER 101 N -0.08 -0.00 -4.35 7.28 7.64 -1.16 -3.71 113.62 119.24 1m9l n SER 101 Ca 0.20 0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.73 1m9l n SER 101 Cb 0.72 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.78 1m9l n SER 101 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1m9l s TYR 102 N -3.06 3.03 -0.18 1.43 6.14 0.35 0.57 117.35 125.64 1m9l s TYR 102 Ca -0.00 -0.81 -0.04 0.00 0.64 0.00 0.00 57.07 56.86 1m9l s TYR 102 Cb 0.00 -2.17 0.08 0.00 0.42 0.00 0.00 41.96 40.29 1m9l s TYR 102 CO 0.00 -0.50 0.22 0.54 0.64 0.00 0.00 175.55 176.45 1m9l s ASN 103 N 1.52 1.11 -0.04 4.32 2.20 -0.13 -1.29 114.94 122.63 1m9l s ASN 103 Ca 0.05 -0.01 -0.22 0.00 -0.94 0.00 0.00 52.86 51.74 1m9l s ASN 103 Cb -0.15 0.44 -0.05 0.00 -2.00 0.00 0.00 41.25 39.49 1m9l s ASN 103 CO -0.00 -0.30 0.64 -1.10 -2.94 0.00 0.00 177.10 173.39 1m9l s GLN 104 N 2.34 4.38 0.17 3.55 -0.21 -0.61 -1.09 119.66 128.19 1m9l s GLN 104 Ca 0.06 0.79 -0.05 0.00 0.02 0.00 0.00 55.36 56.17 1m9l s GLN 104 Cb -0.15 -3.39 0.02 0.00 1.00 0.00 0.00 33.01 30.49 1m9l s GLN 104 CO -0.11 0.22 0.31 1.51 -2.12 0.00 0.00 175.29 175.10 1m9l n ILE 105 N 3.24 0.00 -0.92 1.08 3.06 -0.68 -1.21 119.36 123.94 1m9l n ILE 105 Ca -0.04 -0.52 0.00 0.00 -2.50 0.00 0.00 62.75 59.68 1m9l n ILE 105 Cb 0.51 0.45 0.00 0.00 0.54 0.00 0.00 39.64 41.14 1m9l n ILE 105 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1m9l n ALA 106 N -1.95 0.00 -2.66 1.51 0.00 -1.26 -4.45 120.51 111.70 1m9l n ALA 106 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1m9l n ALA 106 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1m9l n ALA 106 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1m9l s SER 107 N 0.00 7.24 0.09 0.00 1.04 -1.26 -4.98 113.70 115.83 1m9l s SER 107 Ca 0.00 1.59 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 1m9l s SER 107 Cb 0.00 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 1m9l s SER 107 CO 0.00 -0.43 1.46 -0.07 0.98 0.00 0.00 173.24 175.18 1m9l h LEU 108 N 7.82 0.61 -0.68 2.42 4.07 -1.99 -1.58 115.31 125.98 1m9l h LEU 108 Ca -0.33 -0.40 -0.09 0.00 0.08 0.00 0.00 57.88 57.14 1m9l h LEU 108 Cb 1.16 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 1m9l h LEU 108 CO 0.84 0.88 0.07 -1.28 -1.08 0.00 0.00 178.44 177.87 1m9l h SER 109 N 0.34 1.05 0.42 -0.43 0.87 -1.99 -1.16 113.55 112.66 1m9l h SER 109 Ca 0.07 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1m9l h SER 109 Cb 0.64 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1m9l h SER 109 CO 0.04 1.06 -0.27 1.23 -0.53 0.00 0.00 176.83 178.35 1m9l h GLY 110 N 1.03 -0.90 0.40 5.77 0.00 -1.90 -1.70 103.07 105.77 1m9l h GLY 110 Ca 0.19 0.37 0.13 0.00 0.00 0.00 0.00 47.33 48.02 1m9l h GLY 110 CO 0.02 -0.30 0.55 0.16 0.00 0.00 0.00 176.54 176.97 1m9l h ILE 111 N -0.66 0.86 0.13 2.60 -0.00 -1.34 -1.00 117.51 118.10 1m9l h ILE 111 Ca -0.06 -0.29 0.01 0.00 -0.00 0.00 0.00 64.86 64.52 1m9l h ILE 111 Cb 0.53 -0.07 -0.03 0.00 -0.00 0.00 0.00 36.82 37.26 1m9l h ILE 111 CO 0.05 0.16 -0.21 -0.08 -0.00 0.00 0.00 178.15 178.06 1m9l h GLU 112 N 0.85 -0.40 0.36 0.16 4.22 -1.02 0.23 114.58 118.99 1m9l h GLU 112 Ca 0.47 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.92 1m9l h GLU 112 Cb 0.53 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1m9l h GLU 112 CO -0.29 -0.26 -0.17 0.87 -2.18 0.00 0.00 179.01 176.97 1m9l h LYS 113 N -0.41 -0.46 -0.36 1.92 1.79 -0.78 -1.07 116.57 117.20 1m9l h LYS 113 Ca 0.02 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1m9l h LYS 113 Cb 0.42 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1m9l h LYS 113 CO -0.11 -0.31 0.24 1.37 -1.08 0.00 0.00 179.45 179.56 1m9l h LEU 114 N -0.57 0.26 0.00 2.94 8.10 -1.26 -1.35 115.31 123.44 1m9l h LEU 114 Ca -0.05 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.91 1m9l h LEU 114 Cb 0.37 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1m9l h LEU 114 CO 0.08 0.18 -0.12 0.58 -4.11 0.00 0.00 178.44 175.05 1m9l h VAL 115 N 0.30 1.61 -0.49 0.15 2.07 -1.02 -3.16 116.25 115.71 1m9l h VAL 115 Ca 0.15 -1.95 0.14 0.00 0.82 0.00 0.00 66.70 65.86 1m9l h VAL 115 Cb 0.23 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1m9l h VAL 115 CO -0.03 0.52 0.60 -1.13 0.02 0.00 0.00 177.57 177.54 1m9l h ASN 116 N -0.68 0.00 -1.30 0.57 -1.24 -0.50 -3.42 115.58 109.00 1m9l h ASN 116 Ca -0.02 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.90 1m9l h ASN 116 Cb 0.92 0.00 0.06 0.00 0.73 0.00 0.00 38.32 40.02 1m9l h ASN 116 CO 0.02 0.00 -0.05 -0.11 -1.29 0.00 0.00 177.43 176.01 1m9l n LEU 117 N -3.52 0.00 -0.01 0.34 7.94 -0.57 -4.78 117.00 116.39 1m9l n LEU 117 Ca 0.09 -0.23 -0.00 0.00 -1.11 0.00 0.00 56.01 54.76 1m9l n LEU 117 Cb 0.78 -0.47 -0.00 0.00 0.53 0.00 0.00 43.42 44.26 1m9l n LEU 117 CO 0.25 -1.97 -0.00 0.03 -1.11 0.00 0.00 177.39 174.58 1m9l h ARG 118 N 0.00 0.00 -4.83 1.96 3.08 -1.82 -3.41 114.38 109.36 1m9l h ARG 118 Ca -0.10 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.36 1m9l h ARG 118 Cb 0.35 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.06 1m9l h ARG 118 CO 0.06 0.00 -0.84 0.54 -1.07 0.00 0.00 179.97 178.66 1m9l s VAL 119 N -1.14 1.54 -0.09 2.04 0.11 -0.69 -1.65 120.40 120.52 1m9l s VAL 119 Ca -0.00 -0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1m9l s VAL 119 Cb 0.00 -1.39 0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1m9l s VAL 119 CO 0.00 0.45 0.22 -1.48 -3.33 0.00 0.00 175.10 170.96 1m9l s LEU 120 N 0.76 0.96 -0.22 2.54 2.34 -0.65 -1.38 118.68 123.03 1m9l s LEU 120 Ca -0.11 0.44 -0.02 0.00 0.06 0.00 0.00 54.13 54.50 1m9l s LEU 120 Cb -0.16 0.71 0.01 0.00 -0.56 0.00 0.00 46.19 46.19 1m9l s LEU 120 CO 0.02 -0.10 -0.08 -0.31 -1.06 0.00 0.00 176.35 174.81 1m9l s TYR 121 N 0.47 2.95 -0.50 3.48 2.02 -0.31 -1.52 117.35 123.94 1m9l s TYR 121 Ca -0.03 -1.31 0.03 0.00 -0.37 0.00 0.00 57.07 55.39 1m9l s TYR 121 Cb -0.04 -2.05 0.16 0.00 -0.40 0.00 0.00 41.96 39.62 1m9l s TYR 121 CO -0.02 -0.67 0.34 -1.64 -1.57 0.00 0.00 175.55 171.99 1m9l s MET 122 N 1.38 1.48 0.18 -0.62 -1.94 0.49 -1.53 119.30 118.74 1m9l s MET 122 Ca 0.04 -2.40 0.07 0.00 -1.71 0.00 0.00 55.69 51.69 1m9l s MET 122 Cb -0.15 -2.33 0.01 0.00 2.01 0.00 0.00 34.83 34.37 1m9l s MET 122 CO -0.06 -1.27 1.40 0.66 -0.01 0.00 0.00 175.02 175.75 1m9l h SER 123 N 6.03 0.05 -1.97 3.03 4.64 0.02 0.12 113.55 125.46 1m9l h SER 123 Ca 0.12 -0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.85 1m9l h SER 123 Cb 0.87 -0.02 -0.39 0.00 -0.31 0.00 0.00 62.40 62.56 1m9l h SER 123 CO 0.51 0.88 -1.11 0.59 -0.87 0.00 0.00 176.83 176.83 1m9l n ASN 124 N -3.56 0.17 -4.94 4.97 3.02 0.44 -2.39 115.26 112.98 1m9l n ASN 124 Ca -0.01 -2.72 -0.22 0.00 -0.03 0.00 0.00 54.58 51.60 1m9l n ASN 124 Cb 0.81 -0.61 0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1m9l n ASN 124 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1m9l s ASN 125 N -1.26 5.12 -0.24 6.41 2.20 0.18 -0.96 114.94 126.40 1m9l s ASN 125 Ca 0.35 0.04 -0.01 0.00 -0.94 0.00 0.00 52.86 52.30 1m9l s ASN 125 Cb 0.18 -0.84 0.07 0.00 -2.00 0.00 0.00 41.25 38.66 1m9l s ASN 125 CO -0.11 -1.28 0.04 -0.75 -2.94 0.00 0.00 177.10 172.06 1m9l s LYS 126 N -4.88 0.87 -0.16 3.55 2.20 -0.25 -3.87 119.74 117.21 1m9l s LYS 126 Ca 0.58 -0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 55.32 1m9l s LYS 126 Cb -0.10 -2.17 0.05 0.00 -1.51 0.00 0.00 37.83 34.09 1m9l s LYS 126 CO 0.40 -0.74 0.41 0.42 -0.36 0.00 0.00 175.35 175.48 1m9l s ILE 127 N 1.69 -0.01 0.00 5.43 1.01 -1.26 -1.69 121.20 126.37 1m9l s ILE 127 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1m9l s ILE 127 Cb -0.17 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1m9l s ILE 127 CO -0.13 0.01 0.03 0.35 0.00 0.00 0.00 174.94 175.21 1m9l n THR 128 N 3.26 0.00 -1.12 2.92 -2.24 -1.26 -1.28 114.28 114.56 1m9l n THR 128 Ca -0.16 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.17 1m9l n THR 128 Cb 0.57 1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 69.81 1m9l n THR 128 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1m9l n ASN 129 N -0.32 6.84 -0.28 3.42 3.02 -1.26 -4.64 115.26 122.05 1m9l n ASN 129 Ca 0.00 -2.50 0.09 0.00 -0.03 0.00 0.00 54.58 52.15 1m9l n ASN 129 Cb 0.03 -1.45 0.24 0.00 -0.61 0.00 0.00 39.78 37.99 1m9l n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1m9l h TRP 130 N 4.17 0.43 -0.88 3.10 7.01 -1.94 0.18 115.95 128.02 1m9l h TRP 130 Ca 0.53 0.04 0.34 0.00 2.11 0.00 0.00 58.89 61.91 1m9l h TRP 130 Cb 0.83 -0.06 -0.16 0.00 -2.10 0.00 0.00 29.16 27.67 1m9l h TRP 130 CO 1.83 -0.08 0.35 0.41 -2.79 0.00 0.00 178.44 178.16 1m9l n GLY 131 N -1.35 -0.81 0.63 2.65 0.00 -1.26 -1.50 105.19 103.55 1m9l n GLY 131 Ca 0.18 0.76 -0.01 0.00 0.00 0.00 0.00 46.02 46.95 1m9l n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m9l n GLU 132 N -5.07 0.03 -0.31 1.61 4.71 -0.68 -4.82 120.64 116.12 1m9l n GLU 132 Ca 0.30 0.01 0.29 0.00 -0.01 0.00 0.00 57.16 57.76 1m9l n GLU 132 Cb 1.02 -0.30 0.52 0.00 -1.01 0.00 0.00 31.44 31.66 1m9l n GLU 132 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1m9l n ILE 133 N -2.73 -0.30 -0.13 -3.67 5.41 0.53 -1.22 119.36 117.24 1m9l n ILE 133 Ca -0.01 1.64 -0.07 0.00 1.00 0.00 0.00 62.75 65.31 1m9l n ILE 133 Cb 0.03 -2.66 -0.00 0.00 -0.71 0.00 0.00 39.64 36.29 1m9l n ILE 133 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1m9l h ASP 134 N 0.00 -0.99 0.01 4.38 3.58 -1.43 -0.68 116.42 121.29 1m9l h ASP 134 Ca 0.72 0.19 -0.32 0.00 0.42 0.00 0.00 57.03 58.03 1m9l h ASP 134 Cb 2.05 0.48 -0.05 0.00 1.72 0.00 0.00 39.33 43.53 1m9l h ASP 134 CO -0.56 -0.30 -1.77 0.29 -2.88 0.00 0.00 179.24 174.02 1m9l n LYS 135 N -5.41 0.59 -0.09 0.28 4.76 -0.95 -4.46 118.16 112.88 1m9l n LYS 135 Ca 0.02 0.44 0.24 0.00 -2.87 0.00 0.00 58.31 56.14 1m9l n LYS 135 Cb 0.33 -1.65 0.52 0.00 -1.84 0.00 0.00 35.03 32.39 1m9l n LYS 135 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1m9l h LEU 136 N -0.90 0.00 -1.06 -0.35 5.85 -1.14 -0.48 115.31 117.23 1m9l h LEU 136 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1m9l h LEU 136 Cb 1.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1m9l h LEU 136 CO -0.26 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.84 1m9l n ALA 137 N -2.23 2.17 -3.55 1.25 0.00 -0.27 -4.70 120.51 113.18 1m9l n ALA 137 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1m9l n ALA 137 Cb 1.21 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.74 1m9l n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9l n ALA 138 N 0.14 -1.27 1.22 0.00 0.00 -0.27 -3.82 120.51 116.50 1m9l n ALA 138 Ca 0.00 0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.95 1m9l n ALA 138 Cb 0.21 -5.39 0.60 0.00 0.00 0.00 0.00 19.45 14.86 1m9l n ALA 138 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1m9l n LEU 139 N -4.91 0.00 -1.19 0.00 7.94 -0.69 -1.64 117.00 116.52 1m9l n LEU 139 Ca 0.00 0.12 0.11 0.00 -1.11 0.00 0.00 56.01 55.13 1m9l n LEU 139 Cb 0.56 -0.12 0.25 0.00 0.53 0.00 0.00 43.42 44.64 1m9l n LEU 139 CO 0.63 -0.04 0.72 0.47 -1.11 0.00 0.00 177.39 178.06 1m9l n ASP 140 N -1.12 3.60 0.04 1.96 8.00 -1.26 -4.78 116.55 122.99 1m9l n ASP 140 Ca 0.14 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1m9l n ASP 140 Cb 0.11 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 1m9l n ASP 140 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1m9l n LYS 141 N 1.49 0.00 -0.40 -1.24 2.85 -0.96 -4.81 118.16 115.09 1m9l n LYS 141 Ca 0.21 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.34 1m9l n LYS 141 Cb 0.60 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1m9l n LYS 141 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1m9l n LEU 142 N -2.72 -0.66 0.00 -5.58 0.00 -0.65 -1.44 117.00 105.96 1m9l n LEU 142 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.29 1m9l n LEU 142 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 43.42 43.15 1m9l n LEU 142 CO 0.00 -1.10 0.00 -0.62 0.00 0.00 0.00 177.39 175.67 1m9l n GLU 143 N 0.35 0.00 -3.65 1.96 1.02 -1.26 -3.18 120.64 115.88 1m9l n GLU 143 Ca 0.04 0.21 -0.39 0.00 -0.02 0.00 0.00 57.16 57.00 1m9l n GLU 143 Cb 0.10 -0.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.77 1m9l n GLU 143 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1m9l s ASP 144 N -2.80 5.50 -0.31 1.62 1.01 -0.66 -1.61 116.67 119.42 1m9l s ASP 144 Ca 0.00 -1.97 0.02 0.00 0.71 0.00 0.00 52.55 51.31 1m9l s ASP 144 Cb 0.00 -1.93 0.09 0.00 1.01 0.00 0.00 42.92 42.09 1m9l s ASP 144 CO 0.00 -0.63 0.04 -1.48 0.21 0.00 0.00 175.17 173.32 1m9l s LEU 145 N 1.26 3.71 -0.33 1.23 2.34 -0.61 -1.64 118.68 124.64 1m9l s LEU 145 Ca 0.07 -1.85 -0.11 0.00 0.06 0.00 0.00 54.13 52.30 1m9l s LEU 145 Cb -0.25 -1.35 -0.00 0.00 -0.56 0.00 0.00 46.19 44.03 1m9l s LEU 145 CO -0.02 -0.36 0.18 -0.22 -1.06 0.00 0.00 176.35 174.87 1m9l s LEU 146 N 1.18 4.33 -0.40 1.48 2.96 -0.58 -0.81 118.68 126.84 1m9l s LEU 146 Ca 0.08 -0.59 0.10 0.00 -0.22 0.00 0.00 54.13 53.49 1m9l s LEU 146 Cb -0.19 -2.04 0.32 0.00 0.50 0.00 0.00 46.19 44.78 1m9l s LEU 146 CO -0.13 -0.24 0.76 0.00 -1.32 0.00 0.00 176.35 175.43 1m9l n LEU 147 N 5.02 -0.11 -4.96 -0.68 -0.00 -1.24 -0.38 117.00 114.64 1m9l n LEU 147 Ca -0.13 -4.60 -0.22 0.00 -0.00 0.00 0.00 56.01 51.06 1m9l n LEU 147 Cb 0.49 0.75 -0.01 0.00 -0.00 0.00 0.00 43.42 44.65 1m9l n LEU 147 CO 0.35 2.19 0.11 0.00 -0.00 0.00 0.00 177.39 180.03 1m9l s ALA 148 N -1.49 3.90 -0.27 1.47 0.00 0.41 -4.73 121.76 121.05 1m9l s ALA 148 Ca 0.35 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 1m9l s ALA 148 Cb 0.29 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.52 1m9l s ALA 148 CO -0.09 -0.02 0.33 0.41 0.00 0.00 0.00 175.76 176.39 1m9l n GLY 149 N -1.70 -0.98 0.00 0.00 0.00 -1.00 -2.96 105.19 98.54 1m9l n GLY 149 Ca -0.04 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1m9l n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m9l n ASN 150 N -0.60 0.00 -0.35 1.61 0.23 -1.25 0.50 115.26 115.40 1m9l n ASN 150 Ca 0.05 0.00 0.26 0.00 -0.53 0.00 0.00 54.58 54.36 1m9l n ASN 150 Cb 0.30 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.55 1m9l n ASN 150 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1m9l h PRO 151 N 0.00 0.30 0.01 -0.53 0.11 -1.82 -0.46 132.00 129.61 1m9l h PRO 151 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1m9l h PRO 151 Cb 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 1m9l h PRO 151 CO 0.00 0.20 -0.02 1.25 -0.21 0.00 0.00 178.00 179.22 1m9l h LEU 152 N 0.31 -0.04 -0.68 2.35 7.12 -1.48 0.30 115.31 123.19 1m9l h LEU 152 Ca 0.64 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.76 1m9l h LEU 152 Cb 1.75 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 41.81 1m9l h LEU 152 CO -0.31 -0.02 0.27 0.22 -0.13 0.00 0.00 178.44 178.47 1m9l h TYR 153 N -0.03 0.47 0.00 1.25 3.20 -1.75 0.22 116.97 120.33 1m9l h TYR 153 Ca -0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1m9l h TYR 153 Cb 0.03 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1m9l h TYR 153 CO -0.11 0.10 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.40 1m9l h ASN 154 N 0.45 0.00 -0.05 -2.11 4.21 -1.04 -1.64 115.58 115.40 1m9l h ASN 154 Ca 0.35 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.74 1m9l h ASN 154 Cb 0.46 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1m9l h ASN 154 CO -0.34 0.20 -0.43 0.44 -1.29 0.00 0.00 177.43 176.02 1m9l h ASP 155 N 0.00 0.47 -0.24 5.81 5.19 0.16 -3.11 116.42 124.70 1m9l h ASP 155 Ca -0.00 -0.69 0.04 0.00 -0.62 0.00 0.00 57.03 55.76 1m9l h ASP 155 Cb 0.41 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 1m9l h ASP 155 CO 0.03 1.09 -0.02 0.22 -3.12 0.00 0.00 179.24 177.43 1m9l h TYR 156 N -0.12 -0.06 0.00 4.55 3.20 -1.09 -3.47 116.97 119.98 1m9l h TYR 156 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1m9l h TYR 156 Cb 1.11 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1m9l h TYR 156 CO 0.14 -0.06 0.00 1.63 -1.64 0.00 0.00 178.16 178.22 1m9l n LYS 157 N -5.18 0.00 0.00 1.82 4.76 -0.64 -4.58 118.16 114.35 1m9l n LYS 157 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1m9l n LYS 157 Cb 0.14 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 1m9l n LYS 157 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1m9l n GLU 158 N 0.00 0.00 -0.55 1.97 -0.00 -1.12 -1.31 120.64 119.63 1m9l n GLU 158 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1m9l n GLU 158 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1m9l n GLU 158 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1m9l n ASN 159 N -1.90 -0.02 0.00 -1.84 2.85 -1.26 -4.67 115.26 108.43 1m9l n ASN 159 Ca 0.00 -1.44 0.00 0.00 -0.11 0.00 0.00 54.58 53.03 1m9l n ASN 159 Cb 0.00 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 40.95 1m9l n ASN 159 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1m9l n ASN 160 N 0.01 1.81 -0.06 1.20 2.85 -0.43 -4.61 115.26 116.04 1m9l n ASN 160 Ca -0.01 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.43 1m9l n ASN 160 Cb 0.60 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.47 1m9l n ASN 160 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1m9l n ALA 161 N -2.52 1.95 -0.19 5.20 0.00 -0.59 -3.66 120.51 120.69 1m9l n ALA 161 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 1m9l n ALA 161 Cb 0.38 -0.32 0.02 0.00 0.00 0.00 0.00 19.45 19.52 1m9l n ALA 161 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1m9l h THR 162 N 0.00 1.26 0.00 0.00 2.02 -1.80 -0.56 112.91 113.84 1m9l h THR 162 Ca -0.33 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 65.68 1m9l h THR 162 Cb 1.72 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1m9l h THR 162 CO 0.02 0.40 -0.30 0.77 0.37 0.00 0.00 175.52 176.78 1m9l h SER 163 N 0.86 0.00 -0.48 4.18 4.64 -1.82 -1.26 113.55 119.68 1m9l h SER 163 Ca 0.16 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1m9l h SER 163 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1m9l h SER 163 CO 0.03 0.30 0.00 -0.08 -0.87 0.00 0.00 176.83 176.21 1m9l h GLU 164 N 0.00 0.85 -0.16 4.77 4.81 -1.41 -1.08 114.58 122.36 1m9l h GLU 164 Ca -0.00 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1m9l h GLU 164 Cb 0.56 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1m9l h GLU 164 CO 0.04 0.89 -0.03 1.88 -0.73 0.00 0.00 179.01 181.06 1m9l h TYR 165 N 0.71 0.33 -0.69 0.92 0.05 -0.51 -0.30 116.97 117.48 1m9l h TYR 165 Ca 0.14 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.89 1m9l h TYR 165 Cb 0.50 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.11 1m9l h TYR 165 CO 0.04 0.56 0.42 -0.09 -1.05 0.00 0.00 178.16 178.04 1m9l h ARG 166 N 0.01 0.79 -0.80 4.88 1.12 -1.21 0.36 114.38 119.52 1m9l h ARG 166 Ca 0.04 -0.05 0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1m9l h ARG 166 Cb 0.45 -0.18 -0.04 0.00 -0.01 0.00 0.00 29.97 30.19 1m9l h ARG 166 CO 0.01 0.52 0.52 0.82 -3.11 0.00 0.00 179.97 178.74 1m9l h ILE 167 N 0.81 1.17 0.00 1.20 2.04 -1.10 -0.44 117.51 121.20 1m9l h ILE 167 Ca 0.29 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1m9l h ILE 167 Cb 0.07 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1m9l h ILE 167 CO -0.13 0.19 -0.33 -0.08 0.00 0.00 0.00 178.15 177.80 1m9l h GLU 168 N 1.05 0.00 0.00 2.37 4.81 0.34 0.35 114.58 123.50 1m9l h GLU 168 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1m9l h GLU 168 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1m9l h GLU 168 CO -0.08 0.33 0.00 0.28 -0.73 0.00 0.00 179.01 178.81 1m9l n VAL 169 N -3.77 0.00 -0.01 0.32 0.31 0.11 -0.69 118.33 114.60 1m9l n VAL 169 Ca -0.01 0.80 0.21 0.00 -0.01 0.00 0.00 64.34 65.33 1m9l n VAL 169 Cb 0.42 -1.56 0.71 0.00 -0.91 0.00 0.00 33.84 32.50 1m9l n VAL 169 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1m9l h VAL 170 N 0.00 0.66 0.00 2.52 3.04 -1.20 0.05 116.25 121.32 1m9l h VAL 170 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1m9l h VAL 170 Cb 0.00 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 1m9l h VAL 170 CO 0.00 0.00 -0.43 0.50 -1.01 0.00 0.00 177.57 176.63 1m9l h LYS 171 N 0.00 0.00 0.00 4.17 3.64 -1.03 -3.46 116.57 119.89 1m9l h LYS 171 Ca 0.27 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.32 1m9l h LYS 171 Cb 1.11 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1m9l h LYS 171 CO -0.00 0.30 -2.23 -2.13 -2.27 0.00 0.00 179.45 173.12 1m9l n ARG 172 N -4.63 0.82 -3.82 1.90 0.63 0.13 -4.99 116.66 106.70 1m9l n ARG 172 Ca -0.10 0.07 -0.36 0.00 -0.92 0.00 0.00 57.85 56.54 1m9l n ARG 172 Cb 0.29 -1.44 -0.07 0.00 0.45 0.00 0.00 32.46 31.68 1m9l n ARG 172 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1m9l s LEU 173 N -5.86 4.26 0.22 6.15 1.43 0.03 -4.99 118.68 119.92 1m9l s LEU 173 Ca -0.21 0.33 0.20 0.00 -1.03 0.00 0.00 54.13 53.42 1m9l s LEU 173 Cb 0.07 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1m9l s LEU 173 CO 0.60 0.29 1.15 1.55 0.23 0.00 0.00 176.35 180.16 1m9l h PRO 174 N 5.89 0.00 0.00 1.29 0.13 -1.92 -3.41 132.00 133.97 1m9l h PRO 174 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1m9l h PRO 174 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1m9l h PRO 174 CO 0.67 0.14 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1m9l n ASN 175 N -2.88 0.00 0.00 1.44 3.02 -1.26 -4.92 115.26 110.66 1m9l n ASN 175 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1m9l n ASN 175 Cb 0.64 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1m9l n ASN 175 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1m9l n LEU 176 N 0.00 0.00 -0.12 3.41 4.32 -0.52 -4.95 117.00 119.14 1m9l n LEU 176 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1m9l n LEU 176 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1m9l n LEU 176 CO 0.00 0.00 -1.22 0.29 -1.22 0.00 0.00 177.39 175.24 1m9l n LYS 177 N 0.00 0.54 -3.70 3.23 5.02 -0.82 -4.85 118.16 117.58 1m9l n LYS 177 Ca 0.00 0.23 -0.38 0.00 -2.02 0.00 0.00 58.31 56.14 1m9l n LYS 177 Cb 0.00 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 1m9l n LYS 177 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m9l s LYS 178 N -2.58 2.49 -1.04 1.97 -0.14 -0.63 -4.97 119.74 114.84 1m9l s LYS 178 Ca -0.35 -1.44 -0.10 0.00 -1.36 0.00 0.00 55.97 52.73 1m9l s LYS 178 Cb 0.12 -3.61 0.26 0.00 -1.68 0.00 0.00 37.83 32.91 1m9l s LYS 178 CO 0.45 -0.87 1.02 -1.17 -0.76 0.00 0.00 175.35 174.01 1m9l s LEU 179 N 1.35 6.39 0.00 3.17 1.98 -1.26 -1.58 118.68 128.73 1m9l s LEU 179 Ca 0.02 -3.41 0.00 0.00 -2.89 0.00 0.00 54.13 47.85 1m9l s LEU 179 Cb -0.22 -2.19 0.00 0.00 0.66 0.00 0.00 46.19 44.44 1m9l s LEU 179 CO 0.01 -0.34 0.00 -0.67 -1.89 0.00 0.00 176.35 173.46 1m9l n ASP 180 N 2.95 0.00 0.00 3.68 2.03 0.01 -4.64 116.55 120.58 1m9l n ASP 180 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1m9l n ASP 180 Cb 0.41 -1.85 0.00 0.00 -0.72 0.00 0.00 41.12 38.96 1m9l n ASP 180 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m9l n GLY 181 N -2.00 -0.13 0.13 0.27 0.00 -1.26 -4.53 105.19 97.67 1m9l n GLY 181 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1m9l n GLY 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1m9l n MET 182 N 0.00 -0.03 -0.01 1.61 2.81 -1.26 -1.60 117.12 118.63 1m9l n MET 182 Ca 0.00 0.56 0.22 0.00 -1.81 0.00 0.00 57.70 56.67 1m9l n MET 182 Cb 0.00 -0.84 0.58 0.00 -0.71 0.00 0.00 33.22 32.25 1m9l n MET 182 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1m9l h PRO 183 N 0.00 0.00 0.00 0.03 0.13 -1.82 -3.22 132.00 127.12 1m9l h PRO 183 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1m9l h PRO 183 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1m9l h PRO 183 CO -0.37 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 178.73 1m9l n VAL 184 N -3.38 0.00 -2.13 1.56 0.24 -0.63 -4.47 118.33 109.51 1m9l n VAL 184 Ca 0.13 1.28 0.00 0.00 -2.04 0.00 0.00 64.34 63.71 1m9l n VAL 184 Cb 1.03 -1.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 1m9l n VAL 184 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1m9l n ASP 185 N -2.22 -0.77 0.00 -1.34 2.03 -1.22 -0.75 116.55 112.29 1m9l n ASP 185 Ca 0.00 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1m9l n ASP 185 Cb 0.00 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1m9l n ASP 185 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1m9l n VAL 186 N -2.12 0.00 0.06 5.18 3.14 -1.26 -4.85 118.33 118.48 1m9l n VAL 186 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1m9l n VAL 186 Cb 0.38 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.03 1m9l n VAL 186 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1m9l h ASP 187 N 0.00 0.25 0.27 6.55 3.58 -1.22 -3.19 116.42 122.67 1m9l h ASP 187 Ca 0.00 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1m9l h ASP 187 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1m9l h ASP 187 CO 0.00 1.26 0.00 -0.33 -2.88 0.00 0.00 179.24 177.29 1m9l h GLU 188 N 0.04 0.00 -0.04 0.28 4.39 -1.68 0.42 114.58 118.00 1m9l h GLU 188 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1m9l h GLU 188 Cb 1.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 1m9l h GLU 188 CO 0.15 0.00 0.00 -2.13 -1.16 0.00 0.00 179.01 175.87 1m9l n ARG 189 N -2.93 1.95 0.01 2.33 3.00 -1.21 -3.51 116.66 116.30 1m9l n ARG 189 Ca -0.02 -1.38 -0.00 0.00 -0.00 0.00 0.00 57.85 56.45 1m9l n ARG 189 Cb 0.13 -1.47 -0.00 0.00 0.00 0.00 0.00 32.46 31.12 1m9l n ARG 189 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1m9l n GLU 190 N 0.67 0.02 0.14 -0.14 2.13 0.51 -4.41 120.64 119.56 1m9l n GLU 190 Ca 0.17 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.86 1m9l n GLU 190 Cb 0.46 -0.24 -0.08 0.00 0.27 0.00 0.00 31.44 31.85 1m9l n GLU 190 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1m9l h GLN 191 N -0.03 -0.36 -0.06 5.31 4.15 -0.56 0.47 115.11 124.03 1m9l h GLN 191 Ca 0.00 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1m9l h GLN 191 Cb 0.03 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1m9l h GLN 191 CO 0.00 -0.05 0.11 0.00 -1.93 0.00 0.00 178.83 176.96 1m9l h ALA 192 N -0.11 1.41 0.15 3.38 0.00 -1.61 0.40 119.26 122.88 1m9l h ALA 192 Ca -0.04 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1m9l h ALA 192 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1m9l h ALA 192 CO 0.06 -0.14 -1.62 -0.97 0.00 0.00 0.00 179.25 176.59 1m9l h ASN 193 N 0.00 0.50 0.42 0.00 -1.24 -1.56 -0.98 115.58 112.72 1m9l h ASN 193 Ca 0.03 -0.71 -0.15 0.00 0.71 0.00 0.00 56.30 56.18 1m9l h ASN 193 Cb 0.24 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1m9l h ASN 193 CO -0.00 1.59 -0.64 0.58 -1.29 0.00 0.00 177.43 177.67 1m9l h VAL 194 N 0.09 1.41 0.14 2.57 2.07 0.16 -0.94 116.25 121.74 1m9l h VAL 194 Ca -0.28 -2.07 -0.19 0.00 0.82 0.00 0.00 66.70 64.97 1m9l h VAL 194 Cb 2.06 2.07 0.02 0.00 -1.52 0.00 0.00 31.29 33.92 1m9l h VAL 194 CO 0.17 0.61 -0.84 0.00 0.02 0.00 0.00 177.57 177.53 1m9l h ALA 195 N 1.19 -0.08 -0.10 1.67 0.00 -1.06 -1.29 119.26 119.58 1m9l h ALA 195 Ca -0.01 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.24 1m9l h ALA 195 Cb 1.15 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1m9l h ALA 195 CO 0.10 0.40 -0.16 -0.09 0.00 0.00 0.00 179.25 179.50 1m9l h ARG 196 N -0.31 -0.20 0.00 0.00 2.43 -1.18 -3.43 114.38 111.69 1m9l h ARG 196 Ca -0.14 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1m9l h ARG 196 Cb 1.65 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1m9l h ARG 196 CO 0.16 -0.13 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 1m9l n GLY 197 N -1.30 -1.91 0.00 2.80 0.00 -0.37 -5.07 105.19 99.34 1m9l n GLY 197 Ca -0.03 1.03 0.14 0.00 0.00 0.00 0.00 46.02 47.16 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93