#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 1.93 -2.88 3.04 0.00 -1.26 -4.29 120.51 117.04 1m9l n ALA 2 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 -1.16 3.97 -3.18 0.00 5.02 -1.26 -4.15 118.16 117.40 1m9l n LYS 3 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1m9l n LYS 3 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1m9l n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m9l s ALA 4 N -2.09 -2.42 0.00 7.82 0.00 -1.26 -4.93 121.76 118.88 1m9l s ALA 4 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1m9l s ALA 4 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1m9l s ALA 4 CO 0.00 -2.04 0.00 0.25 0.00 0.00 0.00 175.76 173.97 1m9l n THR 5 N 4.88 0.00 -3.10 0.00 -2.24 -1.26 -4.47 114.28 108.08 1m9l n THR 5 Ca 0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.62 1m9l n THR 5 Cb 0.56 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 2.14 4.84 0.10 4.28 2.01 -1.26 -3.59 115.64 124.16 1m9l s THR 6 Ca 0.00 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.40 1m9l s THR 6 Cb 0.00 -3.79 -0.12 0.00 0.01 0.00 0.00 72.50 68.59 1m9l s THR 6 CO 0.00 -0.60 1.61 -0.29 -0.69 0.00 0.00 174.62 174.65 1m9l h ILE 7 N 0.54 0.26 0.05 1.82 -0.00 -1.91 0.18 117.51 118.45 1m9l h ILE 7 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.38 1m9l h ILE 7 Cb 1.22 0.26 -0.02 0.00 -0.00 0.00 0.00 36.82 38.29 1m9l h ILE 7 CO 0.61 0.00 -0.22 0.11 -0.00 0.00 0.00 178.15 178.65 1m9l h LYS 8 N -0.71 -0.30 0.14 2.19 1.57 -1.96 0.43 116.57 117.92 1m9l h LYS 8 Ca -0.01 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1m9l h LYS 8 Cb 0.66 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1m9l h LYS 8 CO -0.09 -0.20 -0.46 -0.44 -0.57 0.00 0.00 179.45 177.69 1m9l h ASP 9 N -0.31 -1.37 -0.56 0.86 3.32 -1.97 -1.64 116.42 114.74 1m9l h ASP 9 Ca -0.00 0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.30 1m9l h ASP 9 Cb 0.32 0.50 -0.11 0.00 0.22 0.00 0.00 39.33 40.25 1m9l h ASP 9 CO -0.12 -0.50 -0.26 0.00 -1.72 0.00 0.00 179.24 176.64 1m9l h ALA 10 N -0.71 0.11 -0.71 3.45 0.00 -0.58 0.27 119.26 121.09 1m9l h ALA 10 Ca -0.01 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1m9l h ALA 10 Cb 0.67 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1m9l h ALA 10 CO -0.23 -0.59 0.20 0.82 0.00 0.00 0.00 179.25 179.45 1m9l h ILE 11 N -0.12 1.26 -0.29 0.00 2.04 -0.71 0.20 117.51 119.89 1m9l h ILE 11 Ca 0.25 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 1m9l h ILE 11 Cb 0.51 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1m9l h ILE 11 CO -0.63 0.36 -0.24 -0.09 0.00 0.00 0.00 178.15 177.55 1m9l h ARG 12 N 1.06 0.57 -0.13 2.37 2.43 -0.52 -0.89 114.38 119.27 1m9l h ARG 12 Ca 0.23 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1m9l h ARG 12 Cb 0.33 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1m9l h ARG 12 CO -0.00 0.76 -0.32 0.82 -1.51 0.00 0.00 179.97 179.72 1m9l h ILE 13 N 0.50 1.27 -0.04 1.20 2.04 0.37 0.18 117.51 123.02 1m9l h ILE 13 Ca 0.07 -1.29 -0.17 0.00 1.00 0.00 0.00 64.86 64.47 1m9l h ILE 13 Cb 0.68 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1m9l h ILE 13 CO 0.05 0.39 -0.74 -0.26 0.00 0.00 0.00 178.15 177.59 1m9l h PHE 14 N 0.22 0.35 0.00 1.37 0.04 -0.19 0.21 116.94 118.95 1m9l h PHE 14 Ca 0.03 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1m9l h PHE 14 Cb 0.68 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 1m9l h PHE 14 CO 0.01 0.90 -0.10 1.49 -0.60 0.00 0.00 178.31 180.02 1m9l h GLU 15 N 0.17 0.00 0.00 1.51 4.81 -0.00 0.35 114.58 121.42 1m9l h GLU 15 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1m9l h GLU 15 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1m9l h GLU 15 CO 0.12 0.10 -0.87 0.39 -0.73 0.00 0.00 179.01 178.01 1m9l n GLU 16 N -3.27 0.47 0.07 1.92 1.02 0.52 -3.67 120.64 117.69 1m9l n GLU 16 Ca -0.00 0.19 -0.03 0.00 -0.02 0.00 0.00 57.16 57.30 1m9l n GLU 16 Cb 0.33 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.88 -0.19 -0.49 3.49 2.43 -0.74 -3.24 114.38 114.75 1m9l h ARG 17 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1m9l h ARG 17 Cb 0.87 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1m9l h ARG 17 CO 0.00 -0.13 0.34 -0.22 -1.51 0.00 0.00 179.97 178.45 1m9l h LYS 18 N -0.41 0.27 -4.60 0.20 3.11 -1.59 -3.47 116.57 110.08 1m9l h LYS 18 Ca -0.02 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.65 1m9l h LYS 18 Cb 0.15 -0.06 0.12 0.00 -1.00 0.00 0.00 32.23 31.44 1m9l h LYS 18 CO 0.03 0.18 -0.52 -1.13 -2.81 0.00 0.00 179.45 175.20 1m9l n SER 19 N -4.46 -5.10 -1.89 4.20 3.41 0.12 -4.97 113.62 104.93 1m9l n SER 19 Ca 0.08 -0.43 -0.08 0.00 -0.26 0.00 0.00 58.87 58.18 1m9l n SER 19 Cb 0.36 -3.60 -0.03 0.00 -0.26 0.00 0.00 64.21 60.68 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 -2.55 0.00 -3.61 -3.33 0.24 -0.74 -4.96 118.33 103.39 1m9l n VAL 20 Ca -0.04 -0.94 -0.40 0.00 -2.04 0.00 0.00 64.34 60.91 1m9l n VAL 20 Cb 0.57 0.47 -0.09 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.51 4.09 -0.11 3.34 1.01 -1.26 -4.19 120.40 120.77 1m9l s VAL 21 Ca 0.15 -1.66 -0.12 0.00 0.00 0.00 0.00 61.98 60.35 1m9l s VAL 21 Cb 0.01 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1m9l s VAL 21 CO 0.11 -0.65 -0.24 0.00 0.00 0.00 0.00 175.10 174.32 1m9l n ALA 22 N 4.87 1.03 0.00 5.51 0.00 -1.26 -3.90 120.51 126.76 1m9l n ALA 22 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1m9l n ALA 22 Cb 0.42 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -3.93 0.00 0.00 0.00 -1.04 -1.26 -1.64 114.28 106.41 1m9l n THR 23 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1m9l n THR 23 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 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 -0.11 0.00 -1.49 -2.82 2.13 -1.26 -5.11 120.64 111.98 1m9l n GLU 24 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1m9l n GLU 24 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 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 2.24 0.30 4.31 0.00 -0.65 -4.76 121.76 121.20 1m9l s ALA 25 Ca 0.00 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1m9l s ALA 25 Cb 0.00 -3.37 0.53 0.00 0.00 0.00 0.00 23.12 20.28 1m9l s ALA 25 CO 0.00 -1.66 1.91 0.93 0.00 0.00 0.00 175.76 176.94 1m9l h GLU 26 N -0.42 1.00 -5.65 0.00 3.07 -1.89 -3.37 114.58 107.32 1m9l h GLU 26 Ca -0.46 -0.06 -0.63 0.00 -0.50 0.00 0.00 59.36 57.71 1m9l h GLU 26 Cb 1.26 -0.23 -0.14 0.00 -0.84 0.00 0.00 28.75 28.81 1m9l h GLU 26 CO 0.51 0.66 0.39 0.15 -1.40 0.00 0.00 179.01 179.33 1m9l s LYS 27 N -5.90 3.31 -0.27 2.33 1.02 -1.26 0.04 119.74 119.00 1m9l s LYS 27 Ca -0.11 -0.35 0.03 0.00 0.02 0.00 0.00 55.97 55.55 1m9l s LYS 27 Cb 0.20 -4.03 0.07 0.00 -0.52 0.00 0.00 37.83 33.55 1m9l s LYS 27 CO 0.80 -1.32 -0.07 0.08 -0.92 0.00 0.00 175.35 173.92 1m9l s VAL 28 N 3.48 2.07 -0.81 3.17 1.01 -0.66 -4.82 120.40 123.84 1m9l s VAL 28 Ca 0.27 -1.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 1m9l s VAL 28 Cb -0.14 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.09 1m9l s VAL 28 CO 0.19 -0.16 1.00 -1.61 0.00 0.00 0.00 175.10 174.52 1m9l s GLU 29 N 1.12 3.41 0.00 2.72 2.02 -1.25 -1.44 118.70 125.28 1m9l s GLU 29 Ca -0.05 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1m9l s GLU 29 Cb -0.20 -4.63 0.00 0.00 0.10 0.00 0.00 34.13 29.40 1m9l s GLU 29 CO -0.06 -1.71 0.00 1.28 0.02 0.00 0.00 175.26 174.78 1m9l n LEU 30 N 6.59 0.00 0.00 1.80 4.77 -0.46 -4.45 117.00 125.26 1m9l n LEU 30 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 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 0.53 -0.01 0.00 1.57 -1.33 0.00 0.00 177.39 178.16 1m9l n HIS 31 N -0.01 0.00 -3.76 -1.77 -0.00 -1.26 -4.63 115.22 103.78 1m9l n HIS 31 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 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 -0.07 -0.21 -0.11 1.57 0.00 -1.26 -1.23 107.32 106.02 1m9l s GLY 32 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.42 1m9l s GLY 32 CO 0.00 -0.03 0.50 -0.29 0.00 0.00 0.00 173.10 173.28 1m9l s MET 33 N -3.81 0.73 0.00 2.90 1.75 -0.51 0.38 119.30 120.74 1m9l s MET 33 Ca 0.09 0.35 -0.30 0.00 -1.25 0.00 0.00 55.69 54.58 1m9l s MET 33 Cb -0.05 0.34 -0.03 0.00 2.84 0.00 0.00 34.83 37.94 1m9l s MET 33 CO 0.02 -0.17 0.97 0.96 -0.65 0.00 0.00 175.02 176.16 1m9l s ILE 34 N -0.53 4.86 0.27 10.11 -4.36 -1.26 -3.48 121.20 126.81 1m9l s ILE 34 Ca -0.06 2.05 -0.03 0.00 -0.26 0.00 0.00 60.65 62.35 1m9l s ILE 34 Cb -0.03 -4.32 0.31 0.00 1.25 0.00 0.00 42.46 39.67 1m9l s ILE 34 CO 0.04 0.17 1.63 -0.65 0.24 0.00 0.00 174.94 176.36 1m9l h PRO 35 N 6.76 0.12 -0.12 0.37 0.11 -1.97 -1.70 132.00 135.56 1m9l h PRO 35 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1m9l h PRO 35 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1m9l h PRO 35 CO 0.75 0.08 0.00 -2.30 -0.21 0.00 0.00 178.00 176.32 1m9l n PRO 36 N -5.33 0.44 -1.69 1.05 -0.02 -1.26 -0.39 135.00 127.80 1m9l n PRO 36 Ca 0.17 0.00 -0.62 0.00 -2.02 0.00 0.00 63.50 61.03 1m9l n PRO 36 Cb 0.58 -1.06 -0.09 0.00 -0.02 0.00 0.00 33.50 32.92 1m9l n PRO 36 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1m9l n ILE 37 N -0.28 0.09 0.00 4.25 3.06 -0.64 -4.78 119.36 121.06 1m9l n ILE 37 Ca 0.00 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1m9l n ILE 37 Cb 0.03 -0.67 0.00 0.00 0.54 0.00 0.00 39.64 39.54 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 3.91 0.00 -3.56 9.51 2.13 -1.26 -1.63 120.64 129.75 1m9l n GLU 38 Ca 0.27 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.72 1m9l n GLU 38 Cb 0.04 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.68 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 0.32 4.17 -1.16 5.31 1.02 -1.26 -3.97 119.74 124.17 1m9l s LYS 39 Ca 0.00 0.11 -0.05 0.00 0.02 0.00 0.00 55.97 56.05 1m9l s LYS 39 Cb 0.00 -3.39 0.24 0.00 -0.52 0.00 0.00 37.83 34.16 1m9l s LYS 39 CO 0.00 0.32 1.83 -1.33 -0.92 0.00 0.00 175.35 175.25 1m9l n MET 40 N 3.30 4.52 -0.02 1.68 2.81 -1.26 -4.07 117.12 124.08 1m9l n MET 40 Ca -0.13 -4.12 0.11 0.00 -1.81 0.00 0.00 57.70 51.75 1m9l n MET 40 Cb 0.52 -2.63 0.52 0.00 -0.71 0.00 0.00 33.22 30.92 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 5.07 0.32 0.22 7.83 1.82 -1.89 -1.42 116.42 128.36 1m9l h ASP 41 Ca 0.42 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1m9l h ASP 41 Cb 0.49 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1m9l h ASP 41 CO 1.40 0.20 -0.31 0.00 -1.61 0.00 0.00 179.24 178.92 1m9l h ALA 42 N 1.74 -0.93 -0.58 -0.78 0.00 -1.81 -1.41 119.26 115.49 1m9l h ALA 42 Ca 0.22 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1m9l h ALA 42 Cb 0.39 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1m9l h ALA 42 CO -0.05 -0.97 -0.28 1.15 0.00 0.00 0.00 179.25 179.10 1m9l h THR 43 N -0.55 0.24 -0.83 0.00 2.02 -1.82 0.16 112.91 112.13 1m9l h THR 43 Ca -0.03 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.28 1m9l h THR 43 Cb 0.50 0.24 -0.14 0.00 -1.74 0.00 0.00 68.15 67.01 1m9l h THR 43 CO -0.09 0.00 -0.39 0.25 0.37 0.00 0.00 175.52 175.66 1m9l h LEU 44 N -0.12 -1.40 0.00 2.58 5.85 -0.76 0.34 115.31 121.80 1m9l h LEU 44 Ca 0.25 0.28 -0.06 0.00 0.84 0.00 0.00 57.88 59.19 1m9l h LEU 44 Cb 0.53 0.70 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1m9l h LEU 44 CO -0.65 -0.30 -0.44 0.28 -0.34 0.00 0.00 178.44 176.99 1m9l h SER 45 N -0.08 0.00 0.00 1.25 0.02 -0.84 -3.34 113.55 110.56 1m9l h SER 45 Ca 0.28 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1m9l h SER 45 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1m9l h SER 45 CO -0.86 0.92 0.30 1.07 -1.14 0.00 0.00 176.83 177.12 1m9l n THR 46 N -4.61 0.72 -0.32 -2.27 5.66 0.51 -1.82 114.28 112.14 1m9l n THR 46 Ca -0.12 0.68 -0.00 0.00 -3.05 0.00 0.00 64.05 61.55 1m9l n THR 46 Cb 0.34 -1.68 0.05 0.00 -1.55 0.00 0.00 70.33 67.49 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 -1.82 -0.52 -0.35 1.09 0.00 0.12 -0.47 117.00 115.06 1m9l n LEU 47 Ca -0.01 1.47 0.15 0.00 0.00 0.00 0.00 56.01 57.62 1m9l n LEU 47 Cb 0.31 -0.35 0.30 0.00 0.00 0.00 0.00 43.42 43.68 1m9l n LEU 47 CO 0.04 -1.33 0.80 0.11 0.00 0.00 0.00 177.39 177.01 1m9l h LYS 48 N 0.00 0.00 0.00 1.96 1.57 -1.65 0.39 116.57 118.84 1m9l h LYS 48 Ca 0.31 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1m9l h LYS 48 Cb 0.52 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1m9l h LYS 48 CO -0.84 0.00 -1.41 0.00 -0.57 0.00 0.00 179.45 176.63 1m9l n ALA 49 N -3.15 2.08 -1.25 3.86 0.00 0.38 -5.03 120.51 117.39 1m9l n ALA 49 Ca 0.24 -0.51 -0.49 0.00 0.00 0.00 0.00 53.44 52.67 1m9l n ALA 49 Cb 0.77 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 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 2.49 0.00 -3.18 0.00 4.81 -1.22 -4.44 118.16 116.62 1m9l n LYS 51 Ca 0.21 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.23 1m9l n LYS 51 Cb -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.03 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 -2.58 3.32 -2.56 5.64 -0.00 0.11 -0.28 115.22 118.87 1m9l n HIS 52 Ca 0.00 -3.18 -0.42 0.00 -0.00 0.00 0.00 57.72 54.12 1m9l n HIS 52 Cb 0.00 -1.31 -0.02 0.00 -0.00 0.00 0.00 29.99 28.66 1m9l n HIS 52 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1m9l s LEU 53 N -2.27 3.45 -0.22 0.27 2.96 -0.08 -1.65 118.68 121.14 1m9l s LEU 53 Ca 0.31 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1m9l s LEU 53 Cb 0.01 -3.16 -0.00 0.00 0.50 0.00 0.00 46.19 43.53 1m9l s LEU 53 CO 0.03 -1.51 -0.06 0.00 -1.32 0.00 0.00 176.35 173.49 1m9l s ALA 54 N 5.08 2.74 0.00 5.97 0.00 -0.52 -0.67 121.76 134.36 1m9l s ALA 54 Ca 0.44 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1m9l s ALA 54 Cb -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1m9l s ALA 54 CO 0.25 -0.44 0.00 1.28 0.00 0.00 0.00 175.76 176.86 1m9l n LEU 55 N 4.77 0.00 0.00 0.00 7.99 -0.45 -1.35 117.00 127.96 1m9l n LEU 55 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 1m9l n LEU 55 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1m9l n LEU 55 CO 0.28 0.00 0.00 -0.24 -1.51 0.00 0.00 177.39 175.92 1m9l n SER 56 N -0.12 0.00 -4.45 -1.43 2.88 -1.20 -4.56 113.62 104.74 1m9l n SER 56 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1m9l n SER 56 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.00 4.75 -0.05 2.46 -1.32 -0.36 -0.69 115.64 120.43 1m9l s THR 57 Ca 0.00 -1.62 -0.01 0.00 -1.21 0.00 0.00 61.69 58.85 1m9l s THR 57 Cb 0.00 -4.78 0.03 0.00 -1.51 0.00 0.00 72.50 66.24 1m9l s THR 57 CO 0.00 -1.50 0.02 0.54 -2.21 0.00 0.00 174.62 171.47 1m9l s ASN 58 N 3.59 1.05 0.16 8.08 4.22 -0.45 -1.42 114.94 130.17 1m9l s ASN 58 Ca 0.33 -0.02 0.00 0.00 -2.14 0.00 0.00 52.86 51.03 1m9l s ASN 58 Cb -0.05 -0.28 -0.04 0.00 1.28 0.00 0.00 41.25 42.17 1m9l s ASN 58 CO -0.09 -0.18 0.32 0.20 -2.04 0.00 0.00 177.10 175.32 1m9l s ASN 59 N 1.70 6.37 -0.10 3.54 0.01 -1.23 -1.73 114.94 123.50 1m9l s ASN 59 Ca -0.00 0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 52.42 1m9l s ASN 59 Cb -0.13 -1.97 0.05 0.00 0.41 0.00 0.00 41.25 39.62 1m9l s ASN 59 CO -0.03 0.03 0.20 -0.63 -1.51 0.00 0.00 177.10 175.16 1m9l s ILE 60 N -1.75 -0.33 -0.16 0.60 1.01 0.38 -3.94 121.20 117.00 1m9l s ILE 60 Ca 0.37 0.32 -0.13 0.00 0.00 0.00 0.00 60.65 61.21 1m9l s ILE 60 Cb -0.11 -0.36 -0.06 0.00 0.01 0.00 0.00 42.46 41.93 1m9l s ILE 60 CO 0.28 0.13 -0.16 -0.62 0.00 0.00 0.00 174.94 174.58 1m9l n GLU 61 N 5.34 0.49 -4.69 2.79 1.02 0.47 -3.81 120.64 122.24 1m9l n GLU 61 Ca -0.05 0.47 -0.27 0.00 -0.02 0.00 0.00 57.16 57.29 1m9l n GLU 61 Cb 0.50 -1.65 -0.17 0.00 -0.02 0.00 0.00 31.44 30.10 1m9l n GLU 61 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1m9l s LYS 62 N -2.39 2.08 -0.60 3.49 2.20 -0.64 -4.58 119.74 119.30 1m9l s LYS 62 Ca -0.20 -0.54 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1m9l s LYS 62 Cb 0.04 -1.68 0.21 0.00 -1.51 0.00 0.00 37.83 34.89 1m9l s LYS 62 CO 0.32 0.04 0.58 1.51 -0.36 0.00 0.00 175.35 177.45 1m9l n ILE 63 N 3.83 1.25 0.29 5.43 0.00 -1.26 -4.08 119.36 124.83 1m9l n ILE 63 Ca -0.21 -4.71 0.17 0.00 0.00 0.00 0.00 62.75 57.99 1m9l n ILE 63 Cb 0.52 -2.05 0.70 0.00 0.00 0.00 0.00 39.64 38.80 1m9l n ILE 63 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1m9l h SER 64 N 4.72 0.00 -0.25 9.51 4.64 -1.94 -3.30 113.55 126.93 1m9l h SER 64 Ca 0.17 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.30 1m9l h SER 64 Cb 0.75 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.77 1m9l h SER 64 CO 0.69 0.00 0.01 -1.54 -0.87 0.00 0.00 176.83 175.12 1m9l n SER 65 N -2.99 5.69 -0.24 4.97 3.41 -1.26 -4.56 113.62 118.64 1m9l n SER 65 Ca 0.01 -2.67 -0.04 0.00 -0.26 0.00 0.00 58.87 55.91 1m9l n SER 65 Cb 0.28 -1.22 0.07 0.00 -0.26 0.00 0.00 64.21 63.08 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 3.67 0.69 -1.15 1.04 8.10 -1.87 -0.87 115.31 124.93 1m9l h LEU 66 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.16 1m9l h LEU 66 Cb 1.11 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 41.18 1m9l h LEU 66 CO 0.35 0.48 0.00 -1.54 -4.11 0.00 0.00 178.44 173.62 1m9l n SER 67 N -4.68 0.57 -0.04 0.17 3.41 -1.26 -0.71 113.62 111.07 1m9l n SER 67 Ca 0.07 0.72 -0.21 0.00 -0.26 0.00 0.00 58.87 59.19 1m9l n SER 67 Cb 0.09 -0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 63.09 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 -0.89 -0.55 0.31 5.00 0.00 -0.44 -3.66 105.19 104.95 1m9l n GLY 68 Ca -0.00 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.13 0.00 -3.66 1.61 2.86 -0.38 -3.00 114.93 112.24 1m9l h MET 69 Ca -0.46 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.63 1m9l h MET 69 Cb 1.90 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.58 1m9l h MET 69 CO -0.01 0.00 2.90 -1.91 1.06 0.00 0.00 176.91 178.95 1m9l n GLU 70 N -3.98 2.42 0.00 1.72 2.13 0.11 -1.16 120.64 121.89 1m9l n GLU 70 Ca -0.00 -1.88 0.00 0.00 0.66 0.00 0.00 57.16 55.94 1m9l n GLU 70 Cb 0.22 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.17 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 5.08 0.00 -4.76 4.31 2.85 -1.13 -4.94 115.26 116.67 1m9l n ASN 71 Ca 0.54 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.63 1m9l n ASN 71 Cb 0.25 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.28 1m9l n ASN 71 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1m9l s LEU 72 N -0.60 3.98 0.07 1.20 2.96 -0.31 -4.79 118.68 121.20 1m9l s LEU 72 Ca 0.00 2.54 -0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1m9l s LEU 72 Cb 0.00 -4.20 -0.00 0.00 0.50 0.00 0.00 46.19 42.49 1m9l s LEU 72 CO 0.00 -1.17 -0.01 -1.14 -1.32 0.00 0.00 176.35 172.72 1m9l n ARG 73 N -0.61 0.01 -3.08 1.98 0.63 -1.25 -3.80 116.66 110.55 1m9l n ARG 73 Ca 0.08 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.57 1m9l n ARG 73 Cb 0.46 -0.51 -0.04 0.00 0.45 0.00 0.00 32.46 32.82 1m9l n ARG 73 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1m9l s ILE 74 N -2.01 4.81 -0.46 5.15 1.01 0.61 -1.36 121.20 128.95 1m9l s ILE 74 Ca -0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 1m9l s ILE 74 Cb 0.00 -4.53 0.04 0.00 0.01 0.00 0.00 42.46 37.98 1m9l s ILE 74 CO 0.01 -1.19 0.49 -0.22 0.00 0.00 0.00 174.94 174.03 1m9l s LEU 75 N 2.67 5.05 -0.84 2.97 0.20 -0.57 -0.90 118.68 127.26 1m9l s LEU 75 Ca 0.15 -0.88 0.01 0.00 0.69 0.00 0.00 54.13 54.10 1m9l s LEU 75 Cb -0.21 -2.37 0.29 0.00 -0.43 0.00 0.00 46.19 43.47 1m9l s LEU 75 CO 0.04 -0.69 1.15 -1.20 -0.29 0.00 0.00 176.35 175.35 1m9l n SER 76 N 5.70 5.18 -2.07 3.68 7.64 0.16 -1.00 113.62 132.91 1m9l n SER 76 Ca -0.08 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.32 1m9l n SER 76 Cb 0.46 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 0.86 0.00 0.05 -3.43 7.94 0.19 -1.34 117.00 121.27 1m9l n LEU 77 Ca 0.30 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 1m9l n LEU 77 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1m9l n LEU 77 CO 0.54 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 1m9l n GLY 78 N 5.00 -1.84 3.09 -3.96 0.00 -1.25 -4.51 105.19 101.73 1m9l n GLY 78 Ca 0.00 0.45 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.21 2.55 0.13 1.61 3.00 0.13 0.20 118.95 125.36 1m9l s ARG 79 Ca 0.00 -1.13 -0.11 0.00 -1.00 0.00 0.00 55.73 53.49 1m9l s ARG 79 Cb 0.00 -2.75 0.01 0.00 0.00 0.00 0.00 34.95 32.20 1m9l s ARG 79 CO 0.00 -0.42 0.29 0.54 0.00 0.00 0.00 175.30 175.71 1m9l s ASN 80 N 1.18 -0.01 -0.08 -2.12 2.20 -0.34 -1.34 114.94 114.44 1m9l s ASN 80 Ca -0.03 -0.64 0.02 0.00 -0.94 0.00 0.00 52.86 51.27 1m9l s ASN 80 Cb -0.17 0.42 0.01 0.00 -2.00 0.00 0.00 41.25 39.51 1m9l s ASN 80 CO -0.08 -0.84 -0.12 -0.76 -2.94 0.00 0.00 177.10 172.36 1m9l s LEU 81 N -2.88 1.60 -0.03 3.54 1.02 -0.71 -0.89 118.68 120.33 1m9l s LEU 81 Ca 0.09 -0.33 0.05 0.00 0.02 0.00 0.00 54.13 53.96 1m9l s LEU 81 Cb 0.03 -0.88 -0.01 0.00 0.02 0.00 0.00 46.19 45.35 1m9l s LEU 81 CO -0.07 0.01 -0.19 -0.63 0.02 0.00 0.00 176.35 175.49 1m9l s ILE 82 N 0.87 1.54 0.07 -0.59 1.01 -0.41 -0.47 121.20 123.22 1m9l s ILE 82 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1m9l s ILE 82 Cb -0.15 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1m9l s ILE 82 CO 0.01 0.44 0.00 0.29 0.00 0.00 0.00 174.94 175.68 1m9l n LYS 83 N 2.88 0.00 0.00 2.79 5.02 -1.25 -4.15 118.16 123.45 1m9l n LYS 83 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1m9l n LYS 83 Cb 0.53 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1m9l n LYS 83 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m9l n LYS 84 N -3.36 3.61 -3.33 1.97 4.76 -1.26 -4.58 118.16 115.98 1m9l n LYS 84 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1m9l n LYS 84 Cb 0.14 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.26 1m9l n LYS 84 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1m9l s ILE 85 N 2.39 -0.60 0.30 -0.18 -1.16 -1.26 -4.81 121.20 115.89 1m9l s ILE 85 Ca 0.00 -0.26 0.00 0.00 -0.51 0.00 0.00 60.65 59.88 1m9l s ILE 85 Cb 0.00 -0.95 0.00 0.00 0.61 0.00 0.00 42.46 42.12 1m9l s ILE 85 CO 0.00 -0.26 0.00 -0.62 -2.81 0.00 0.00 174.94 171.25 1m9l n GLU 86 N 5.35 0.00 0.14 3.50 1.02 -1.26 -4.91 120.64 124.48 1m9l n GLU 86 Ca -0.01 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1m9l n GLU 86 Cb 0.49 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.95 1m9l n GLU 86 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1m9l h ASN 87 N 0.00 0.00 -0.68 1.62 -1.07 -1.92 -3.34 115.58 110.19 1m9l h ASN 87 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.41 1m9l h ASN 87 Cb 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.20 1m9l h ASN 87 CO 0.00 0.34 0.41 -0.07 0.07 0.00 0.00 177.43 178.18 1m9l h LEU 88 N 0.00 0.65 -0.85 6.14 3.38 -1.92 -0.98 115.31 121.73 1m9l h LEU 88 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1m9l h LEU 88 Cb 1.28 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1m9l h LEU 88 CO 0.04 0.44 0.55 -0.78 0.09 0.00 0.00 178.44 178.78 1m9l h ASP 89 N 0.79 0.92 0.07 -0.43 3.58 -1.90 -0.65 116.42 118.79 1m9l h ASP 89 Ca 0.28 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 1m9l h ASP 89 Cb 0.07 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1m9l h ASP 89 CO -0.13 0.64 -0.03 0.00 -2.88 0.00 0.00 179.24 176.84 1m9l h ALA 90 N 1.34 -0.09 -0.93 -0.78 0.00 -1.49 -0.18 119.26 117.12 1m9l h ALA 90 Ca 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1m9l h ALA 90 Cb -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1m9l h ALA 90 CO -0.10 -0.33 0.61 -0.39 0.00 0.00 0.00 179.25 179.04 1m9l h VAL 91 N -0.55 1.19 -0.41 0.00 -1.51 -1.18 -0.42 116.25 113.36 1m9l h VAL 91 Ca -0.01 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 1m9l h VAL 91 Cb 0.47 -0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 29.48 1m9l h VAL 91 CO 0.02 0.22 0.20 0.00 -1.23 0.00 0.00 177.57 176.78 1m9l h ALA 92 N 1.37 1.57 -0.15 5.19 0.00 -1.01 0.47 119.26 126.69 1m9l h ALA 92 Ca 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1m9l h ALA 92 Cb -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1m9l h ALA 92 CO -0.10 0.35 -0.07 0.22 0.00 0.00 0.00 179.25 179.64 1m9l h ASP 93 N 0.58 0.33 0.00 0.00 1.82 0.60 -3.44 116.42 116.31 1m9l h ASP 93 Ca 0.15 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1m9l h ASP 93 Cb 0.06 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1m9l h ASP 93 CO -0.02 0.66 -0.42 1.07 -1.61 0.00 0.00 179.24 178.92 1m9l n THR 94 N -4.64 0.00 -1.75 2.25 5.66 -0.66 -5.09 114.28 110.06 1m9l n THR 94 Ca -0.06 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.56 1m9l n THR 94 Cb 0.29 -0.38 0.04 0.00 -1.55 0.00 0.00 70.33 68.73 1m9l n THR 94 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1m9l n LEU 95 N -1.29 5.48 -0.02 1.09 0.00 0.16 -4.92 117.00 117.51 1m9l n LEU 95 Ca 0.00 0.99 -0.02 0.00 0.00 0.00 0.00 56.01 56.98 1m9l n LEU 95 Cb 0.21 -1.58 -0.01 0.00 0.00 0.00 0.00 43.42 42.04 1m9l n LEU 95 CO 0.00 -0.53 -0.60 1.21 0.00 0.00 0.00 177.39 177.47 1m9l n GLU 96 N -0.92 0.08 -3.66 1.96 4.07 -1.24 -4.55 120.64 116.38 1m9l n GLU 96 Ca 0.10 0.02 -0.37 0.00 -0.06 0.00 0.00 57.16 56.85 1m9l n GLU 96 Cb 0.44 -1.02 -0.08 0.00 -0.06 0.00 0.00 31.44 30.73 1m9l n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1m9l s GLU 97 N -2.06 3.01 -1.15 5.31 2.02 -0.46 -1.63 118.70 123.74 1m9l s GLU 97 Ca -0.04 -2.96 -0.17 0.00 0.02 0.00 0.00 54.97 51.81 1m9l s GLU 97 Cb 0.01 -3.89 0.12 0.00 0.10 0.00 0.00 34.13 30.48 1m9l s GLU 97 CO 0.07 -1.23 1.46 -0.51 0.02 0.00 0.00 175.26 175.07 1m9l s LEU 98 N -0.80 4.51 -0.81 1.80 1.43 -0.59 -1.51 118.68 122.72 1m9l s LEU 98 Ca 0.23 -2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 50.71 1m9l s LEU 98 Cb -0.12 -2.47 0.17 0.00 0.03 0.00 0.00 46.19 43.79 1m9l s LEU 98 CO -0.09 -1.03 0.87 0.26 0.23 0.00 0.00 176.35 176.59 1m9l s TRP 99 N 2.97 3.41 -0.37 0.29 0.51 -0.17 -1.00 118.94 124.58 1m9l s TRP 99 Ca 0.44 -1.60 0.13 0.00 -2.12 0.00 0.00 56.10 52.96 1m9l s TRP 99 Cb -0.01 -4.00 0.43 0.00 -0.81 0.00 0.00 33.47 29.08 1m9l s TRP 99 CO -0.01 -1.21 0.96 0.44 -0.51 0.00 0.00 176.95 176.62 1m9l n ILE 100 N 4.78 1.28 0.00 2.03 -5.35 -0.59 -0.64 119.36 120.88 1m9l n ILE 100 Ca 0.12 -3.84 0.00 0.00 -0.27 0.00 0.00 62.75 58.76 1m9l n ILE 100 Cb 0.47 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.13 0.00 -4.17 7.28 7.64 -1.22 -3.65 113.62 119.37 1m9l n SER 101 Ca 0.19 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 1m9l n SER 101 Cb 0.74 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.81 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 -4.04 3.37 0.06 1.43 6.14 0.13 -0.45 117.35 124.00 1m9l s TYR 102 Ca 0.00 -1.98 0.04 0.00 0.64 0.00 0.00 57.07 55.77 1m9l s TYR 102 Cb 0.00 -2.49 -0.03 0.00 0.42 0.00 0.00 41.96 39.87 1m9l s TYR 102 CO 0.00 -0.84 -0.13 0.54 0.64 0.00 0.00 175.55 175.76 1m9l s ASN 103 N 1.45 1.48 -0.05 4.32 2.20 -0.59 -1.20 114.94 122.54 1m9l s ASN 103 Ca -0.00 -0.60 0.05 0.00 -0.94 0.00 0.00 52.86 51.36 1m9l s ASN 103 Cb -0.21 -0.03 -0.00 0.00 -2.00 0.00 0.00 41.25 39.01 1m9l s ASN 103 CO -0.01 -0.11 -0.20 -1.10 -2.94 0.00 0.00 177.10 172.74 1m9l s GLN 104 N -1.70 2.09 0.24 3.55 -0.21 -0.07 -0.64 119.66 122.93 1m9l s GLN 104 Ca -0.04 -0.71 -0.09 0.00 0.02 0.00 0.00 55.36 54.54 1m9l s GLN 104 Cb -0.10 -1.78 0.04 0.00 1.00 0.00 0.00 33.01 32.17 1m9l s GLN 104 CO 0.02 0.27 0.50 1.51 -2.12 0.00 0.00 175.29 175.48 1m9l n ILE 105 N 3.13 0.00 -0.52 1.08 3.06 -0.77 -1.29 119.36 124.05 1m9l n ILE 105 Ca -0.18 -0.61 0.00 0.00 -2.50 0.00 0.00 62.75 59.46 1m9l n ILE 105 Cb 0.53 0.62 0.00 0.00 0.54 0.00 0.00 39.64 41.32 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 -1.47 0.00 -2.63 1.51 0.00 -1.26 -4.53 120.51 112.12 1m9l n ALA 106 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1m9l n ALA 106 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 7.19 0.30 0.00 1.04 -1.26 -4.94 113.70 116.02 1m9l s SER 107 Ca 0.00 1.58 -0.01 0.00 0.48 0.00 0.00 55.95 58.00 1m9l s SER 107 Cb 0.00 -2.55 0.45 0.00 0.10 0.00 0.00 66.02 64.01 1m9l s SER 107 CO 0.00 -0.50 1.89 -0.07 0.98 0.00 0.00 173.24 175.54 1m9l h LEU 108 N 8.21 0.82 -0.20 2.42 3.38 -1.99 -1.40 115.31 126.55 1m9l h LEU 108 Ca -0.30 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1m9l h LEU 108 Cb 1.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1m9l h LEU 108 CO 0.87 0.70 -0.06 -1.28 0.09 0.00 0.00 178.44 178.77 1m9l h SER 109 N 0.90 0.39 0.58 -0.43 0.87 -1.99 -1.33 113.55 112.54 1m9l h SER 109 Ca 0.22 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 1m9l h SER 109 Cb 0.12 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1m9l h SER 109 CO -0.03 0.68 -0.41 1.23 -0.53 0.00 0.00 176.83 177.78 1m9l h GLY 110 N 0.10 -1.06 0.71 5.77 0.00 -1.82 -1.72 103.07 105.06 1m9l h GLY 110 Ca 0.05 0.46 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1m9l h GLY 110 CO 0.02 -0.37 0.61 0.16 0.00 0.00 0.00 176.54 176.97 1m9l h ILE 111 N -0.95 1.06 -0.24 2.60 -0.00 -1.33 -0.92 117.51 117.73 1m9l h ILE 111 Ca -0.07 -0.38 0.04 0.00 -0.00 0.00 0.00 64.86 64.46 1m9l h ILE 111 Cb 0.79 -0.13 -0.04 0.00 -0.00 0.00 0.00 36.82 37.43 1m9l h ILE 111 CO 0.03 0.20 -0.03 -0.08 -0.00 0.00 0.00 178.15 178.27 1m9l h GLU 112 N 1.10 0.03 0.25 0.16 4.22 -0.85 -0.36 114.58 119.13 1m9l h GLU 112 Ca 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.84 1m9l h GLU 112 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1m9l h GLU 112 CO -0.18 0.02 -0.12 0.87 -2.18 0.00 0.00 179.01 177.42 1m9l h LYS 113 N 0.03 -0.32 0.00 1.92 1.79 -0.66 -0.72 116.57 118.62 1m9l h LYS 113 Ca 0.12 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1m9l h LYS 113 Cb 0.16 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1m9l h LYS 113 CO -0.22 -0.21 -0.04 1.37 -1.08 0.00 0.00 179.45 179.26 1m9l h LEU 114 N -0.46 0.00 0.24 2.94 8.10 -1.25 -0.46 115.31 124.42 1m9l h LEU 114 Ca -0.03 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.63 1m9l h LEU 114 Cb 0.26 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.51 1m9l h LEU 114 CO 0.06 0.04 -1.45 0.58 -4.11 0.00 0.00 178.44 173.56 1m9l h VAL 115 N 0.00 1.26 -0.33 0.15 2.07 -1.15 -3.20 116.25 115.05 1m9l h VAL 115 Ca -0.00 -2.66 0.10 0.00 0.82 0.00 0.00 66.70 64.96 1m9l h VAL 115 Cb 0.09 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1m9l h VAL 115 CO 0.01 0.80 0.44 -1.13 0.02 0.00 0.00 177.57 177.71 1m9l h ASN 116 N 0.08 0.00 -1.39 0.57 -1.24 0.43 -3.43 115.58 110.60 1m9l h ASN 116 Ca -0.26 0.00 -0.43 0.00 0.71 0.00 0.00 56.30 56.32 1m9l h ASN 116 Cb 2.11 0.00 0.23 0.00 0.73 0.00 0.00 38.32 41.39 1m9l h ASN 116 CO 0.25 0.00 -1.98 -0.11 -1.29 0.00 0.00 177.43 174.30 1m9l n LEU 117 N -3.51 -2.67 -0.02 0.34 0.00 -0.50 -4.95 117.00 105.70 1m9l n LEU 117 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 56.01 56.01 1m9l n LEU 117 Cb 0.59 -0.63 -0.00 0.00 0.00 0.00 0.00 43.42 43.38 1m9l n LEU 117 CO 0.24 -2.65 -0.00 0.03 0.00 0.00 0.00 177.39 175.01 1m9l h ARG 118 N -1.45 0.00 -5.05 1.96 -0.00 -1.80 -3.44 114.38 104.59 1m9l h ARG 118 Ca -0.39 0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 58.42 1m9l h ARG 118 Cb 1.25 0.00 -0.34 0.00 0.00 0.00 0.00 29.97 30.88 1m9l h ARG 118 CO 0.24 0.00 -0.85 0.54 0.00 0.00 0.00 179.97 179.90 1m9l s VAL 119 N -1.18 2.17 -0.04 2.04 0.11 -0.64 -1.88 120.40 120.98 1m9l s VAL 119 Ca -0.00 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.15 1m9l s VAL 119 Cb 0.00 -1.92 0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1m9l s VAL 119 CO 0.00 0.53 -0.02 -1.48 -3.33 0.00 0.00 175.10 170.81 1m9l s LEU 120 N 1.31 1.21 -0.19 2.54 0.05 -0.65 -1.54 118.68 121.41 1m9l s LEU 120 Ca 0.05 -0.06 0.01 0.00 0.05 0.00 0.00 54.13 54.18 1m9l s LEU 120 Cb -0.13 -0.30 0.03 0.00 -2.05 0.00 0.00 46.19 43.74 1m9l s LEU 120 CO -0.12 -0.09 -0.15 -0.31 -0.55 0.00 0.00 176.35 175.13 1m9l s TYR 121 N 1.00 2.63 -0.34 3.48 2.02 -0.17 -1.44 117.35 124.54 1m9l s TYR 121 Ca -0.10 -1.64 0.01 0.00 -0.37 0.00 0.00 57.07 54.98 1m9l s TYR 121 Cb -0.14 -1.79 0.14 0.00 -0.40 0.00 0.00 41.96 39.78 1m9l s TYR 121 CO -0.01 -0.77 0.31 0.00 -1.57 0.00 0.00 175.55 173.50 1m9l s MET 122 N 1.33 0.49 0.12 -0.62 0.23 -0.07 -1.54 119.30 119.25 1m9l s MET 122 Ca 0.02 -0.66 0.24 0.00 -1.03 0.00 0.00 55.69 54.26 1m9l s MET 122 Cb -0.15 -0.81 0.94 0.00 -1.53 0.00 0.00 34.83 33.28 1m9l s MET 122 CO -0.10 -1.13 1.75 -1.13 -2.03 0.00 0.00 175.02 172.38 1m9l n SER 123 N 4.64 0.41 -3.76 -1.18 3.41 -0.88 -1.01 113.62 115.25 1m9l n SER 123 Ca 0.06 0.56 -0.13 0.00 -0.26 0.00 0.00 58.87 59.10 1m9l n SER 123 Cb 0.44 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 1m9l n SER 123 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1m9l s ASN 124 N -3.76 -0.18 0.33 4.04 0.01 0.41 -1.45 114.94 114.34 1m9l s ASN 124 Ca 0.10 0.39 -0.16 0.00 -0.71 0.00 0.00 52.86 52.48 1m9l s ASN 124 Cb 0.13 0.31 0.03 0.00 0.41 0.00 0.00 41.25 42.13 1m9l s ASN 124 CO 0.48 -0.13 0.71 0.54 -1.51 0.00 0.00 177.10 177.18 1m9l s ASN 125 N 0.92 -0.01 -0.33 -1.22 2.20 -0.01 -1.55 114.94 114.95 1m9l s ASN 125 Ca -0.07 -0.97 0.01 0.00 -0.94 0.00 0.00 52.86 50.89 1m9l s ASN 125 Cb -0.08 0.77 0.10 0.00 -2.00 0.00 0.00 41.25 40.03 1m9l s ASN 125 CO -0.05 -1.49 0.09 -0.75 -2.94 0.00 0.00 177.10 171.96 1m9l s LYS 126 N -3.09 1.00 -0.15 3.55 2.20 0.19 -4.04 119.74 119.40 1m9l s LYS 126 Ca 0.16 -1.40 -0.07 0.00 -0.36 0.00 0.00 55.97 54.30 1m9l s LYS 126 Cb -0.05 -2.41 0.06 0.00 -1.51 0.00 0.00 37.83 33.92 1m9l s LYS 126 CO 0.10 -0.98 0.34 0.42 -0.36 0.00 0.00 175.35 174.88 1m9l s ILE 127 N 1.30 -0.12 0.00 5.43 1.01 -1.26 -1.84 121.20 125.72 1m9l s ILE 127 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1m9l s ILE 127 Cb -0.18 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1m9l s ILE 127 CO -0.18 0.06 0.09 0.35 0.00 0.00 0.00 174.94 175.26 1m9l n THR 128 N 4.45 0.00 -1.17 2.92 -2.24 -1.26 -1.63 114.28 115.35 1m9l n THR 128 Ca -0.21 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.07 1m9l n THR 128 Cb 0.53 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.31 6.90 -0.31 3.42 4.13 -1.26 -4.68 115.26 123.15 1m9l n ASN 129 Ca 0.00 -2.55 0.11 0.00 1.68 0.00 0.00 54.58 53.83 1m9l n ASN 129 Cb 0.05 -1.48 0.29 0.00 -1.54 0.00 0.00 39.78 37.10 1m9l n ASN 129 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1m9l h TRP 130 N 3.92 0.79 -0.89 3.10 7.01 -1.94 0.17 115.95 128.12 1m9l h TRP 130 Ca 0.51 0.04 0.29 0.00 2.11 0.00 0.00 58.89 61.84 1m9l h TRP 130 Cb 0.93 -0.21 -0.16 0.00 -2.10 0.00 0.00 29.16 27.61 1m9l h TRP 130 CO 1.82 0.09 0.18 0.41 -2.79 0.00 0.00 178.44 178.15 1m9l n GLY 131 N -1.33 -1.02 0.48 2.65 0.00 -1.26 -1.47 105.19 103.24 1m9l n GLY 131 Ca 0.21 0.82 -0.01 0.00 0.00 0.00 0.00 46.02 47.04 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 -5.20 0.05 -0.28 1.61 4.71 -0.76 -4.79 120.64 115.98 1m9l n GLU 132 Ca 0.26 0.02 0.25 0.00 -0.01 0.00 0.00 57.16 57.68 1m9l n GLU 132 Cb 0.85 -0.39 0.47 0.00 -1.01 0.00 0.00 31.44 31.36 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 -2.75 -0.36 -0.31 -3.67 5.41 0.54 -1.41 119.36 116.80 1m9l n ILE 133 Ca -0.01 1.77 -0.09 0.00 1.00 0.00 0.00 62.75 65.42 1m9l n ILE 133 Cb 0.05 -2.83 -0.06 0.00 -0.71 0.00 0.00 39.64 36.08 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 -1.83 0.02 4.38 3.58 -1.41 -1.18 116.42 119.98 1m9l h ASP 134 Ca 0.70 0.29 -0.34 0.00 0.42 0.00 0.00 57.03 58.10 1m9l h ASP 134 Cb 1.81 0.82 -0.05 0.00 1.72 0.00 0.00 39.33 43.64 1m9l h ASP 134 CO -0.69 -0.30 -1.88 0.29 -2.88 0.00 0.00 179.24 173.79 1m9l n LYS 135 N -5.35 0.61 -0.09 0.28 4.76 -0.98 -4.45 118.16 112.94 1m9l n LYS 135 Ca 0.02 0.40 0.25 0.00 -2.87 0.00 0.00 58.31 56.11 1m9l n LYS 135 Cb 0.32 -1.64 0.58 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.77 0.00 -1.70 -0.35 5.85 -1.18 -1.00 115.31 116.16 1m9l h LEU 136 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1m9l h LEU 136 Cb 1.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1m9l h LEU 136 CO -0.23 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.87 1m9l n ALA 137 N -2.28 2.39 -3.62 1.25 0.00 -0.45 -4.65 120.51 113.14 1m9l n ALA 137 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 1m9l n ALA 137 Cb 1.15 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.67 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 0.40 -1.31 0.41 0.00 0.00 -0.46 -4.13 120.51 115.42 1m9l n ALA 138 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 1m9l n ALA 138 Cb 0.39 -5.44 -0.08 0.00 0.00 0.00 0.00 19.45 14.32 1m9l n ALA 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1m9l h LEU 139 N -2.66 -0.91 -1.13 0.00 5.85 -1.59 -1.93 115.31 112.93 1m9l h LEU 139 Ca -0.57 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1m9l h LEU 139 Cb 1.37 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1m9l h LEU 139 CO 0.57 -0.57 0.00 0.47 -0.34 0.00 0.00 178.44 178.57 1m9l n ASP 140 N -5.32 0.70 0.09 1.25 9.92 -1.26 -3.58 116.55 118.35 1m9l n ASP 140 Ca -0.13 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 53.01 1m9l n ASP 140 Cb 0.42 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 1m9l n ASP 140 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1m9l n LYS 141 N 0.28 0.00 -0.22 -1.24 2.85 -1.20 -4.82 118.16 113.81 1m9l n LYS 141 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1m9l n LYS 141 Cb 0.16 -0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.37 1m9l n LYS 141 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1m9l n LEU 142 N -3.29 -0.56 0.00 -5.58 4.77 -0.73 -1.58 117.00 110.03 1m9l n LEU 142 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1m9l n LEU 142 Cb 0.04 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1m9l n LEU 142 CO 0.00 -0.78 0.00 -0.62 -1.33 0.00 0.00 177.39 174.66 1m9l n GLU 143 N 0.25 0.00 -3.78 3.23 4.71 -1.26 -2.89 120.64 120.89 1m9l n GLU 143 Ca 0.02 0.07 -0.37 0.00 -0.01 0.00 0.00 57.16 56.86 1m9l n GLU 143 Cb 0.08 -0.38 -0.12 0.00 -1.01 0.00 0.00 31.44 30.01 1m9l n GLU 143 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1m9l s ASP 144 N -2.31 5.23 -0.32 1.62 1.01 -0.79 -1.54 116.67 119.58 1m9l s ASP 144 Ca 0.00 -1.31 -0.02 0.00 0.71 0.00 0.00 52.55 51.93 1m9l s ASP 144 Cb 0.00 -1.83 0.12 0.00 1.01 0.00 0.00 42.92 42.21 1m9l s ASP 144 CO 0.00 -0.35 0.17 -1.48 0.21 0.00 0.00 175.17 173.72 1m9l s LEU 145 N 1.34 0.71 -0.36 1.23 2.34 -0.63 -1.63 118.68 121.68 1m9l s LEU 145 Ca -0.01 -1.69 -0.18 0.00 0.06 0.00 0.00 54.13 52.31 1m9l s LEU 145 Cb -0.20 -0.35 -0.00 0.00 -0.56 0.00 0.00 46.19 45.08 1m9l s LEU 145 CO 0.01 -0.38 0.49 -0.22 -1.06 0.00 0.00 176.35 175.19 1m9l s LEU 146 N 1.63 4.42 -0.39 1.48 2.96 -0.52 -0.64 118.68 127.61 1m9l s LEU 146 Ca 0.13 -0.14 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1m9l s LEU 146 Cb -0.19 -2.54 0.27 0.00 0.50 0.00 0.00 46.19 44.23 1m9l s LEU 146 CO -0.19 -0.48 0.60 0.00 -1.32 0.00 0.00 176.35 174.95 1m9l n LEU 147 N 5.70 0.04 -4.97 -0.68 -0.00 -1.24 -0.89 117.00 114.96 1m9l n LEU 147 Ca -0.05 -4.64 -0.21 0.00 -0.00 0.00 0.00 56.01 51.10 1m9l n LEU 147 Cb 0.49 0.68 0.02 0.00 -0.00 0.00 0.00 43.42 44.61 1m9l n LEU 147 CO 0.45 2.11 0.19 0.00 -0.00 0.00 0.00 177.39 180.14 1m9l s ALA 148 N -1.28 4.52 -0.79 1.47 0.00 -0.18 -4.69 121.76 120.81 1m9l s ALA 148 Ca 0.36 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 1m9l s ALA 148 Cb 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1m9l s ALA 148 CO -0.11 -0.58 0.67 0.41 0.00 0.00 0.00 175.76 176.15 1m9l n GLY 149 N -1.96 -0.04 3.50 0.00 0.00 -0.53 -1.71 105.19 104.46 1m9l n GLY 149 Ca 0.08 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1m9l n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m9l s ASN 150 N -3.64 -0.62 0.18 1.61 2.20 -1.26 -0.83 114.94 112.59 1m9l s ASN 150 Ca 0.12 0.76 -0.27 0.00 -0.94 0.00 0.00 52.86 52.53 1m9l s ASN 150 Cb -0.05 0.65 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 1m9l s ASN 150 CO 0.46 -0.53 1.53 -2.65 -2.94 0.00 0.00 177.10 172.97 1m9l n PRO 151 N 1.24 -0.38 -0.01 3.55 -0.02 -1.25 -1.17 135.00 136.96 1m9l n PRO 151 Ca -0.18 1.51 -0.00 0.00 -2.02 0.00 0.00 63.50 62.80 1m9l n PRO 151 Cb 0.57 -2.22 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1m9l n PRO 151 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1m9l n LEU 152 N -5.30 -0.01 -0.14 2.45 7.99 -0.64 0.37 117.00 121.72 1m9l n LEU 152 Ca 0.04 0.95 -0.05 0.00 -0.01 0.00 0.00 56.01 56.94 1m9l n LEU 152 Cb 0.30 -0.46 0.04 0.00 -0.11 0.00 0.00 43.42 43.18 1m9l n LEU 152 CO -0.15 -0.48 0.96 0.22 -1.51 0.00 0.00 177.39 176.42 1m9l h TYR 153 N 0.00 0.28 0.00 -1.77 3.20 -1.76 -0.76 116.97 116.16 1m9l h TYR 153 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1m9l h TYR 153 Cb 0.01 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1m9l h TYR 153 CO -0.88 0.11 -0.04 -0.91 -1.64 0.00 0.00 178.16 174.80 1m9l h ASN 154 N 0.33 0.00 0.11 -2.11 4.21 -0.61 -1.58 115.58 115.92 1m9l h ASN 154 Ca 0.20 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.54 1m9l h ASN 154 Cb 0.19 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.41 1m9l h ASN 154 CO -0.20 0.04 -0.73 0.44 -1.29 0.00 0.00 177.43 175.68 1m9l h ASP 155 N 0.00 0.46 0.06 5.81 3.32 0.14 -3.26 116.42 122.95 1m9l h ASP 155 Ca -0.00 -0.92 0.02 0.00 0.02 0.00 0.00 57.03 56.16 1m9l h ASP 155 Cb 0.26 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1m9l h ASP 155 CO 0.00 1.34 -0.25 0.22 -1.72 0.00 0.00 179.24 178.83 1m9l h TYR 156 N -0.35 -0.67 0.00 4.55 3.20 -0.75 -3.47 116.97 119.48 1m9l h TYR 156 Ca -0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1m9l h TYR 156 Cb 1.55 0.29 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1m9l h TYR 156 CO 0.19 -0.35 0.00 1.63 -1.64 0.00 0.00 178.16 177.99 1m9l n LYS 157 N -5.37 0.00 -0.09 1.82 4.76 -0.65 -4.68 118.16 113.95 1m9l n LYS 157 Ca -0.06 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.49 1m9l n LYS 157 Cb 0.28 0.00 0.16 0.00 -1.84 0.00 0.00 35.03 33.63 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 -1.19 1.97 0.00 -1.19 -1.38 120.64 118.86 1m9l n GLU 158 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 57.16 57.50 1m9l n GLU 158 Cb 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 31.44 30.61 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 -2.01 0.39 0.00 -1.84 2.85 -1.26 -4.73 115.26 108.66 1m9l n ASN 159 Ca 0.09 -1.95 0.00 0.00 -0.11 0.00 0.00 54.58 52.61 1m9l n ASN 159 Cb 0.52 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.40 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 0.29 0.00 -0.06 1.20 2.85 -0.56 -4.85 115.26 114.13 1m9l n ASN 160 Ca -0.02 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.42 1m9l n ASN 160 Cb 0.95 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.82 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 -1.03 1.97 -0.11 5.20 0.00 -0.48 -3.80 120.51 122.26 1m9l n ALA 161 Ca 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 1m9l n ALA 161 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 1.29 -0.71 0.00 2.02 -1.82 0.77 112.91 114.44 1m9l h THR 162 Ca -0.34 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 1m9l h THR 162 Cb 1.75 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.51 1m9l h THR 162 CO 0.02 0.41 0.37 0.28 0.37 0.00 0.00 175.52 176.96 1m9l h SER 163 N 0.47 0.90 -0.24 4.18 0.02 -1.84 -1.27 113.55 115.77 1m9l h SER 163 Ca 0.08 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1m9l h SER 163 Cb 0.68 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1m9l h SER 163 CO 0.05 0.74 -0.10 -0.08 -1.14 0.00 0.00 176.83 176.30 1m9l h GLU 164 N 1.00 0.63 0.03 3.45 4.22 -1.56 -0.89 114.58 121.46 1m9l h GLU 164 Ca 0.25 -0.19 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 1m9l h GLU 164 Cb 0.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1m9l h GLU 164 CO -0.04 0.72 -0.01 1.88 -2.18 0.00 0.00 179.01 179.38 1m9l h TYR 165 N 0.58 -0.03 -0.76 0.92 0.05 0.12 -0.06 116.97 117.78 1m9l h TYR 165 Ca 0.11 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1m9l h TYR 165 Cb 0.51 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.23 1m9l h TYR 165 CO 0.02 0.37 0.47 -0.09 -1.05 0.00 0.00 178.16 177.88 1m9l h ARG 166 N -0.44 1.02 -0.60 4.88 1.12 -1.15 0.33 114.38 119.55 1m9l h ARG 166 Ca -0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1m9l h ARG 166 Cb 0.42 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 30.13 1m9l h ARG 166 CO 0.01 0.71 0.38 0.82 -3.11 0.00 0.00 179.97 178.77 1m9l h ILE 167 N 1.05 1.17 0.00 1.20 2.04 -1.12 0.10 117.51 121.95 1m9l h ILE 167 Ca 0.28 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1m9l h ILE 167 Cb -0.07 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1m9l h ILE 167 CO -0.05 0.17 -0.15 -0.08 0.00 0.00 0.00 178.15 178.03 1m9l h GLU 168 N 0.81 0.00 0.00 2.37 4.81 0.96 0.62 114.58 124.15 1m9l h GLU 168 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1m9l h GLU 168 Cb -0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1m9l h GLU 168 CO -0.04 0.15 0.00 0.28 -0.73 0.00 0.00 179.01 178.66 1m9l n VAL 169 N -3.59 0.00 0.13 0.32 0.31 0.97 -0.14 118.33 116.33 1m9l n VAL 169 Ca -0.01 0.52 0.19 0.00 -0.01 0.00 0.00 64.34 65.03 1m9l n VAL 169 Cb 0.28 -1.12 0.69 0.00 -0.91 0.00 0.00 33.84 32.78 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 0.22 0.00 2.52 3.04 -1.14 0.62 116.25 121.51 1m9l h VAL 170 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 1m9l h VAL 170 Cb 0.00 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 29.81 1m9l h VAL 170 CO 0.00 0.00 -0.89 1.17 -1.01 0.00 0.00 177.57 176.84 1m9l n LYS 171 N -3.39 0.50 -0.10 4.17 4.81 0.21 -4.88 118.16 119.48 1m9l n LYS 171 Ca 0.07 0.48 -0.12 0.00 -0.87 0.00 0.00 58.31 57.86 1m9l n LYS 171 Cb 0.69 -1.66 -0.11 0.00 0.02 0.00 0.00 35.03 33.97 1m9l n LYS 171 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1m9l n ARG 172 N -4.53 0.82 -3.91 1.64 0.63 0.80 -5.04 116.66 107.06 1m9l n ARG 172 Ca -0.17 0.07 -0.36 0.00 -0.92 0.00 0.00 57.85 56.47 1m9l n ARG 172 Cb 0.44 -1.44 -0.07 0.00 0.45 0.00 0.00 32.46 31.84 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 4.23 -0.06 6.15 1.43 0.66 -4.96 118.68 120.28 1m9l s LEU 173 Ca -0.21 0.36 0.16 0.00 -1.03 0.00 0.00 54.13 53.42 1m9l s LEU 173 Cb 0.07 -2.04 -0.21 0.00 0.03 0.00 0.00 46.19 44.03 1m9l s LEU 173 CO 0.58 0.35 0.53 -0.81 0.23 0.00 0.00 176.35 177.22 1m9l n PRO 174 N 2.40 0.65 0.00 1.29 -0.04 -1.26 -4.46 135.00 133.57 1m9l n PRO 174 Ca -0.19 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1m9l n PRO 174 Cb 0.54 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1m9l n PRO 174 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1m9l n ASN 175 N -2.85 0.00 0.00 3.54 3.02 -1.26 -4.91 115.26 112.80 1m9l n ASN 175 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1m9l n ASN 175 Cb 0.98 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 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 -0.13 3.41 4.32 -0.61 -4.93 117.00 119.05 1m9l n LEU 176 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.73 1m9l n LEU 176 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1m9l n LEU 176 CO 0.00 0.00 -1.39 0.29 -1.22 0.00 0.00 177.39 175.07 1m9l n LYS 177 N 0.00 0.61 -3.51 3.23 5.02 -1.09 -4.78 118.16 117.64 1m9l n LYS 177 Ca 0.00 0.23 -0.27 0.00 -2.02 0.00 0.00 58.31 56.26 1m9l n LYS 177 Cb 0.00 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.41 1m9l n LYS 177 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m9l n LYS 178 N -3.93 2.00 -2.40 1.97 4.76 -0.59 -5.01 118.16 114.96 1m9l n LYS 178 Ca -0.51 -4.36 -0.39 0.00 -2.87 0.00 0.00 58.31 50.17 1m9l n LYS 178 Cb 0.92 -2.10 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 1m9l n LYS 178 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1m9l s LEU 179 N -1.93 3.25 0.00 -0.35 2.96 -1.26 -1.61 118.68 119.74 1m9l s LEU 179 Ca 0.35 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1m9l s LEU 179 Cb 0.10 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.23 1m9l s LEU 179 CO -0.07 -1.97 0.00 -0.67 -1.32 0.00 0.00 176.35 172.32 1m9l n ASP 180 N 10.38 0.00 0.00 3.68 2.03 0.19 -4.71 116.55 128.11 1m9l n ASP 180 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1m9l n ASP 180 Cb 0.50 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 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 -0.24 0.09 0.27 0.00 -1.25 -4.38 105.19 97.68 1m9l n GLY 181 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1m9l n GLY 181 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1m9l n MET 182 N 0.00 -0.03 -0.02 1.61 0.00 -1.26 -1.76 117.12 115.66 1m9l n MET 182 Ca 0.00 0.40 0.16 0.00 0.00 0.00 0.00 57.70 58.26 1m9l n MET 182 Cb 0.00 -0.60 0.25 0.00 0.00 0.00 0.00 33.22 32.87 1m9l n MET 182 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1m9l n PRO 183 N -4.42 0.02 -0.13 2.12 -0.04 -1.26 -3.09 135.00 128.20 1m9l n PRO 183 Ca 0.04 0.87 -0.05 0.00 -0.04 0.00 0.00 63.50 64.32 1m9l n PRO 183 Cb 0.13 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.30 1m9l n PRO 183 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9l h VAL 184 N 0.00 0.00 -2.88 0.52 -1.51 -1.74 -3.41 116.25 107.24 1m9l h VAL 184 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 1m9l h VAL 184 Cb 2.29 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1m9l h VAL 184 CO -0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 1m9l n ASP 185 N -3.94 -0.32 0.00 4.19 8.00 -1.18 -0.84 116.55 122.47 1m9l n ASP 185 Ca -0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1m9l n ASP 185 Cb 0.13 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1m9l n ASP 185 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1m9l n VAL 186 N -1.43 0.00 0.03 2.53 3.14 -1.26 -4.86 118.33 116.47 1m9l n VAL 186 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1m9l n VAL 186 Cb 0.16 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.85 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 0.00 0.38 6.55 3.58 -1.28 -3.31 116.42 122.34 1m9l h ASP 187 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1m9l h ASP 187 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1m9l h ASP 187 CO 0.00 0.68 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.70 1m9l h GLU 188 N 0.00 0.00 -0.02 0.28 4.39 -1.58 0.32 114.58 117.97 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 1.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1m9l h GLU 188 CO 0.06 0.01 -0.10 -2.13 -1.16 0.00 0.00 179.01 175.69 1m9l n ARG 189 N -3.13 1.58 0.01 2.33 3.00 -1.24 -3.27 116.66 115.94 1m9l n ARG 189 Ca -0.02 -1.06 -0.01 0.00 -0.00 0.00 0.00 57.85 56.76 1m9l n ARG 189 Cb 0.16 -1.48 -0.00 0.00 0.00 0.00 0.00 32.46 31.14 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 0.22 0.04 -0.02 -0.14 2.13 0.17 -4.42 120.64 118.61 1m9l n GLU 190 Ca 0.16 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.86 1m9l n GLU 190 Cb 0.41 -0.34 -0.10 0.00 0.27 0.00 0.00 31.44 31.69 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 -0.07 0.04 0.00 5.31 4.15 -0.74 0.52 115.11 124.32 1m9l h GLN 191 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1m9l h GLN 191 Cb 0.07 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 1m9l h GLN 191 CO 0.00 0.53 -0.11 0.00 -1.93 0.00 0.00 178.83 177.32 1m9l h ALA 192 N 0.51 1.31 0.17 3.38 0.00 -1.62 -0.24 119.26 122.77 1m9l h ALA 192 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 1m9l h ALA 192 Cb 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1m9l h ALA 192 CO 0.00 0.14 -1.61 -0.97 0.00 0.00 0.00 179.25 176.82 1m9l h ASN 193 N 0.00 0.55 0.14 0.00 -1.24 -1.52 -1.12 115.58 112.40 1m9l h ASN 193 Ca -0.00 -0.75 -0.16 0.00 0.71 0.00 0.00 56.30 56.09 1m9l h ASN 193 Cb 0.31 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1m9l h ASN 193 CO 0.01 1.63 -0.61 0.58 -1.29 0.00 0.00 177.43 177.75 1m9l h VAL 194 N 0.10 1.34 -0.01 2.57 2.07 -0.58 -1.13 116.25 120.61 1m9l h VAL 194 Ca -0.28 -1.91 -0.09 0.00 0.82 0.00 0.00 66.70 65.23 1m9l h VAL 194 Cb 2.07 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 33.75 1m9l h VAL 194 CO 0.19 0.58 -0.34 0.00 0.02 0.00 0.00 177.57 178.02 1m9l h ALA 195 N 0.99 0.06 -0.32 1.67 0.00 -1.14 -2.88 119.26 117.64 1m9l h ALA 195 Ca -0.01 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1m9l h ALA 195 Cb 1.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1m9l h ALA 195 CO 0.11 0.16 -0.04 -0.09 0.00 0.00 0.00 179.25 179.39 1m9l h ARG 196 N -0.34 0.04 0.00 0.00 2.43 -1.18 -3.44 114.38 111.89 1m9l h ARG 196 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1m9l h ARG 196 Cb 1.07 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1m9l h ARG 196 CO 0.07 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 1m9l n GLY 197 N -1.25 -1.82 0.00 2.80 0.00 -0.47 -5.07 105.19 99.38 1m9l n GLY 197 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93