#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 0.00 -2.06 3.04 0.00 -1.25 -2.41 120.51 117.84 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 0.36 0.00 0.00 0.00 177.50 177.86 1m9l n LYS 3 N -2.78 0.00 -3.15 0.00 2.85 -1.26 -4.00 118.16 109.82 1m9l n LYS 3 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1m9l n LYS 3 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 1m9l n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1m9l s ALA 4 N -1.06 -2.30 0.00 0.58 0.00 -1.26 -4.86 121.76 112.87 1m9l s ALA 4 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1m9l s ALA 4 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1m9l s ALA 4 CO 0.00 -1.37 0.00 0.25 0.00 0.00 0.00 175.76 174.64 1m9l n THR 5 N 5.43 0.00 -2.77 0.00 -2.24 -1.26 -4.42 114.28 109.02 1m9l n THR 5 Ca -0.01 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1m9l n THR 5 Cb 0.51 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 2.83 4.86 0.06 4.28 2.01 -1.26 -3.19 115.64 125.22 1m9l s THR 6 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1m9l s THR 6 Cb 0.00 -3.84 -0.16 0.00 0.01 0.00 0.00 72.50 68.52 1m9l s THR 6 CO 0.00 -0.77 1.46 -0.29 -0.69 0.00 0.00 174.62 174.33 1m9l h ILE 7 N 0.31 0.00 -0.02 1.82 -0.00 -1.91 0.97 117.51 118.67 1m9l h ILE 7 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 64.42 1m9l h ILE 7 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 36.82 37.97 1m9l h ILE 7 CO 0.61 0.00 -0.42 0.11 -0.00 0.00 0.00 178.15 178.46 1m9l h LYS 8 N -1.00 -0.54 0.42 2.19 1.57 -1.96 -0.35 116.57 116.90 1m9l h LYS 8 Ca -0.09 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1m9l h LYS 8 Cb 0.80 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1m9l h LYS 8 CO 0.10 -0.36 -0.39 -0.44 -0.57 0.00 0.00 179.45 177.79 1m9l h ASP 9 N -0.56 -1.06 -0.69 0.86 5.19 -1.98 -1.88 116.42 116.30 1m9l h ASP 9 Ca 0.05 0.08 0.13 0.00 -0.62 0.00 0.00 57.03 56.68 1m9l h ASP 9 Cb 0.65 0.35 -0.13 0.00 0.18 0.00 0.00 39.33 40.37 1m9l h ASP 9 CO -0.33 -0.53 -0.25 0.00 -3.12 0.00 0.00 179.24 175.02 1m9l h ALA 10 N -1.13 0.29 -0.23 3.45 0.00 -0.58 0.25 119.26 121.31 1m9l h ALA 10 Ca -0.05 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1m9l h ALA 10 Cb 0.69 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1m9l h ALA 10 CO -0.03 -0.51 0.09 0.82 0.00 0.00 0.00 179.25 179.61 1m9l h ILE 11 N -0.06 1.18 -0.16 0.00 2.04 -0.91 0.89 117.51 120.49 1m9l h ILE 11 Ca 0.31 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1m9l h ILE 11 Cb 0.54 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1m9l h ILE 11 CO -0.74 0.18 -0.26 0.08 0.00 0.00 0.00 178.15 177.40 1m9l h ARG 12 N 0.21 0.29 -0.51 2.37 0.11 -0.75 -1.26 114.38 114.83 1m9l h ARG 12 Ca 0.08 -0.10 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1m9l h ARG 12 Cb 0.20 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.23 1m9l h ARG 12 CO -0.00 0.53 0.21 0.82 0.10 0.00 0.00 179.97 181.63 1m9l h ILE 13 N 0.26 1.18 0.00 0.08 2.04 -0.04 0.25 117.51 121.28 1m9l h ILE 13 Ca 0.04 -0.57 -0.20 0.00 1.00 0.00 0.00 64.86 65.13 1m9l h ILE 13 Cb 0.61 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1m9l h ILE 13 CO 0.04 0.22 -0.89 -0.26 0.00 0.00 0.00 178.15 177.27 1m9l h PHE 14 N 0.72 0.33 0.00 1.37 0.04 -0.22 0.19 116.94 119.36 1m9l h PHE 14 Ca 0.18 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1m9l h PHE 14 Cb 0.13 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1m9l h PHE 14 CO 0.01 1.00 -0.08 1.49 -0.60 0.00 0.00 178.31 180.12 1m9l h GLU 15 N 0.12 0.00 0.00 1.51 4.81 -0.08 0.15 114.58 121.09 1m9l h GLU 15 Ca -0.05 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.78 1m9l h GLU 15 Cb 1.52 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.84 1m9l h GLU 15 CO 0.14 0.08 -2.29 0.39 -0.73 0.00 0.00 179.01 176.60 1m9l n GLU 16 N -3.52 0.58 0.00 1.92 -0.58 -0.04 -3.71 120.64 115.29 1m9l n GLU 16 Ca -0.02 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1m9l n GLU 16 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1m9l n GLU 16 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1m9l n ARG 17 N -4.29 0.00 -0.26 3.49 0.63 0.63 -3.78 116.66 113.09 1m9l n ARG 17 Ca -0.49 0.42 0.04 0.00 -0.92 0.00 0.00 57.85 56.91 1m9l n ARG 17 Cb 0.83 -1.12 0.27 0.00 0.45 0.00 0.00 32.46 32.89 1m9l n ARG 17 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1m9l h LYS 18 N 0.00 0.92 -3.07 -0.14 3.11 -1.31 -3.47 116.57 112.61 1m9l h LYS 18 Ca 0.00 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1m9l h LYS 18 Cb 0.00 -0.21 0.01 0.00 -1.00 0.00 0.00 32.23 31.03 1m9l h LYS 18 CO 0.00 0.61 -0.03 0.45 -2.81 0.00 0.00 179.45 177.67 1m9l n SER 19 N -4.48 -2.18 -3.75 4.20 2.88 0.45 -5.01 113.62 105.74 1m9l n SER 19 Ca 0.12 -0.03 -0.24 0.00 -1.33 0.00 0.00 58.87 57.39 1m9l n SER 19 Cb 0.19 -0.68 -0.07 0.00 -0.75 0.00 0.00 64.21 62.90 1m9l n SER 19 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1m9l n VAL 20 N -1.56 0.00 -3.62 2.46 0.24 -0.74 -4.97 118.33 110.15 1m9l n VAL 20 Ca -0.00 -2.37 -0.40 0.00 -2.04 0.00 0.00 64.34 59.53 1m9l n VAL 20 Cb 0.50 0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 33.68 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 -3.12 4.20 -0.14 3.34 1.01 -1.26 -4.22 120.40 120.21 1m9l s VAL 21 Ca 0.24 -1.33 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 1m9l s VAL 21 Cb 0.01 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1m9l s VAL 21 CO 0.17 -0.45 -0.28 0.00 0.00 0.00 0.00 175.10 174.53 1m9l n ALA 22 N 4.91 1.06 -4.07 5.51 0.00 -1.26 -3.89 120.51 122.77 1m9l n ALA 22 Ca -0.10 -0.68 -0.32 0.00 0.00 0.00 0.00 53.44 52.33 1m9l n ALA 22 Cb 0.43 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -4.19 -2.67 -2.29 0.00 -1.04 -1.26 -1.62 114.28 101.21 1m9l n THR 23 Ca -0.11 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.05 61.21 1m9l n THR 23 Cb 0.42 -2.25 -0.02 0.00 -1.82 0.00 0.00 70.33 66.67 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 -4.57 -1.48 -2.27 -2.82 2.13 -1.26 -4.84 120.64 105.53 1m9l n GLU 24 Ca -0.25 0.03 -0.26 0.00 0.66 0.00 0.00 57.16 57.35 1m9l n GLU 24 Cb 0.65 -2.43 0.06 0.00 0.27 0.00 0.00 31.44 29.99 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 -1.59 3.23 0.10 4.31 0.00 -0.64 -4.69 121.76 122.47 1m9l s ALA 25 Ca 0.21 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 1m9l s ALA 25 Cb -0.12 -2.58 -0.12 0.00 0.00 0.00 0.00 23.12 20.30 1m9l s ALA 25 CO 0.26 -1.16 1.36 0.93 0.00 0.00 0.00 175.76 177.15 1m9l h GLU 26 N -0.47 0.73 -5.70 0.00 3.07 -1.87 -3.41 114.58 106.94 1m9l h GLU 26 Ca -0.44 -0.48 -0.61 0.00 -0.50 0.00 0.00 59.36 57.33 1m9l h GLU 26 Cb 1.30 0.06 -0.13 0.00 -0.84 0.00 0.00 28.75 29.15 1m9l h GLU 26 CO 0.60 1.11 0.72 0.15 -1.40 0.00 0.00 179.01 180.18 1m9l s LYS 27 N -4.05 3.16 -0.27 2.33 1.02 -1.26 0.35 119.74 121.02 1m9l s LYS 27 Ca -0.12 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.16 1m9l s LYS 27 Cb 0.08 -4.26 0.04 0.00 -0.52 0.00 0.00 37.83 33.17 1m9l s LYS 27 CO 0.86 -1.92 -0.04 0.08 -0.92 0.00 0.00 175.35 173.41 1m9l s VAL 28 N 4.51 2.79 -0.86 3.17 1.01 -0.69 -4.81 120.40 125.52 1m9l s VAL 28 Ca 0.27 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 1m9l s VAL 28 Cb -0.14 -2.54 0.14 0.00 0.00 0.00 0.00 36.38 33.84 1m9l s VAL 28 CO 0.10 0.02 1.02 -1.61 0.00 0.00 0.00 175.10 174.63 1m9l s GLU 29 N 1.25 3.51 0.00 2.72 8.01 -1.25 -1.47 118.70 131.47 1m9l s GLU 29 Ca -0.04 -1.75 0.00 0.00 0.01 0.00 0.00 54.97 53.19 1m9l s GLU 29 Cb -0.19 -4.72 0.00 0.00 -4.31 0.00 0.00 34.13 24.92 1m9l s GLU 29 CO -0.03 -1.68 0.00 1.28 0.01 0.00 0.00 175.26 174.84 1m9l n LEU 30 N 6.21 0.00 0.00 1.80 4.77 -0.44 -4.46 117.00 124.88 1m9l n LEU 30 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1m9l n LEU 30 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1m9l n LEU 30 CO 0.49 -0.02 0.00 1.57 -1.33 0.00 0.00 177.39 178.10 1m9l n HIS 31 N -0.04 0.00 -3.67 -1.77 -0.00 -1.26 -4.63 115.22 103.84 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 0.00 -0.31 0.10 1.57 0.00 -1.26 -1.40 107.32 106.02 1m9l s GLY 32 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 1m9l s GLY 32 CO 0.00 0.04 0.63 -0.29 0.00 0.00 0.00 173.10 173.48 1m9l s MET 33 N -3.69 1.20 -0.03 2.90 0.00 -0.42 -0.22 119.30 119.04 1m9l s MET 33 Ca 0.08 -0.27 -0.09 0.00 0.00 0.00 0.00 55.69 55.41 1m9l s MET 33 Cb -0.03 0.56 -0.05 0.00 0.00 0.00 0.00 34.83 35.31 1m9l s MET 33 CO -0.01 -0.49 0.26 0.96 0.00 0.00 0.00 175.02 175.74 1m9l s ILE 34 N -3.04 5.30 0.29 10.11 -4.36 -1.26 -3.67 121.20 124.56 1m9l s ILE 34 Ca -0.02 0.34 -0.00 0.00 -0.26 0.00 0.00 60.65 60.71 1m9l s ILE 34 Cb -0.01 -3.55 0.34 0.00 1.25 0.00 0.00 42.46 40.50 1m9l s ILE 34 CO -0.07 0.49 1.61 -0.65 0.24 0.00 0.00 174.94 176.56 1m9l h PRO 35 N 4.44 0.09 0.00 0.37 0.11 -1.95 -1.87 132.00 133.21 1m9l h PRO 35 Ca -0.52 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1m9l h PRO 35 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1m9l h PRO 35 CO 0.63 0.06 0.00 -2.30 -0.21 0.00 0.00 178.00 176.18 1m9l n PRO 36 N -5.37 0.19 -1.44 1.05 -0.02 -1.26 -0.89 135.00 127.26 1m9l n PRO 36 Ca 0.20 0.00 -0.56 0.00 -2.02 0.00 0.00 63.50 61.12 1m9l n PRO 36 Cb 0.67 -1.33 -0.08 0.00 -0.02 0.00 0.00 33.50 32.73 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 -0.83 0.00 0.00 4.25 3.06 -0.70 -4.74 119.36 120.40 1m9l n ILE 37 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1m9l n ILE 37 Cb 0.01 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 39.95 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 2.55 0.00 -4.24 9.51 2.13 -1.24 -1.75 120.64 127.59 1m9l n GLU 38 Ca 0.23 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.70 1m9l n GLU 38 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 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 3.21 -1.10 5.31 1.02 -1.26 -2.57 119.74 124.35 1m9l s LYS 39 Ca 0.00 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 1m9l s LYS 39 Cb 0.00 -2.92 0.29 0.00 -0.52 0.00 0.00 37.83 34.69 1m9l s LYS 39 CO 0.00 0.65 1.28 -0.12 -0.92 0.00 0.00 175.35 176.24 1m9l n MET 40 N 2.33 3.97 -0.11 1.68 1.56 -1.26 -4.12 117.12 121.17 1m9l n MET 40 Ca -0.19 -4.51 0.02 0.00 -0.27 0.00 0.00 57.70 52.75 1m9l n MET 40 Cb 0.54 -2.53 0.31 0.00 2.15 0.00 0.00 33.22 33.69 1m9l n MET 40 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 1m9l h ASP 41 N 6.09 0.68 0.15 6.12 1.82 -1.86 -0.79 116.42 128.63 1m9l h ASP 41 Ca 0.19 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1m9l h ASP 41 Cb 0.75 -0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.55 1m9l h ASP 41 CO 1.16 0.52 -0.53 0.00 -1.61 0.00 0.00 179.24 178.79 1m9l h ALA 42 N 1.59 -1.00 -0.56 -0.78 0.00 -1.79 -0.88 119.26 115.85 1m9l h ALA 42 Ca 0.21 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1m9l h ALA 42 Cb -0.03 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1m9l h ALA 42 CO -0.04 -1.13 0.00 1.15 0.00 0.00 0.00 179.25 179.23 1m9l h THR 43 N -0.77 0.56 -0.57 0.00 2.02 -1.85 0.69 112.91 112.98 1m9l h THR 43 Ca -0.01 -0.04 0.11 0.00 0.77 0.00 0.00 66.41 67.24 1m9l h THR 43 Cb 0.77 0.42 -0.11 0.00 -1.74 0.00 0.00 68.15 67.49 1m9l h THR 43 CO -0.27 0.02 -0.28 0.25 0.37 0.00 0.00 175.52 175.61 1m9l h LEU 44 N 0.12 -0.99 0.00 2.58 5.85 0.17 0.52 115.31 123.56 1m9l h LEU 44 Ca 0.29 0.21 -0.10 0.00 0.84 0.00 0.00 57.88 59.12 1m9l h LEU 44 Cb 0.45 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1m9l h LEU 44 CO -0.47 -0.28 -0.64 -1.28 -0.34 0.00 0.00 178.44 175.43 1m9l h SER 45 N -0.13 0.00 0.00 1.25 0.87 -1.03 -3.33 113.55 111.18 1m9l h SER 45 Ca 0.25 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1m9l h SER 45 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1m9l h SER 45 CO -0.65 1.10 0.15 1.07 -0.53 0.00 0.00 176.83 177.97 1m9l n THR 46 N -4.56 1.35 -0.33 2.23 5.66 0.22 -1.82 114.28 117.03 1m9l n THR 46 Ca -0.18 0.49 -0.02 0.00 -3.05 0.00 0.00 64.05 61.29 1m9l n THR 46 Cb 0.46 -1.49 0.01 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 -1.33 -0.60 -0.32 1.09 0.00 0.18 -0.09 117.00 115.93 1m9l n LEU 47 Ca 0.00 1.46 0.15 0.00 0.00 0.00 0.00 56.01 57.62 1m9l n LEU 47 Cb 0.15 -0.31 0.31 0.00 0.00 0.00 0.00 43.42 43.57 1m9l n LEU 47 CO 0.00 -1.29 0.87 0.11 0.00 0.00 0.00 177.39 177.08 1m9l h LYS 48 N 0.00 0.07 0.00 1.96 1.57 -1.64 -0.10 116.57 118.42 1m9l h LYS 48 Ca 0.26 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1m9l h LYS 48 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1m9l h LYS 48 CO -0.82 0.05 -1.27 0.00 -0.57 0.00 0.00 179.45 176.84 1m9l n ALA 49 N -2.92 2.19 -1.56 3.86 0.00 0.88 -5.03 120.51 117.92 1m9l n ALA 49 Ca 0.23 -0.42 -0.60 0.00 0.00 0.00 0.00 53.44 52.65 1m9l n ALA 49 Cb 0.76 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 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 2.20 0.00 -3.13 0.00 4.81 -1.23 -4.45 118.16 116.36 1m9l n LYS 51 Ca 0.22 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.22 1m9l n LYS 51 Cb 0.06 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.11 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 -2.13 4.19 -2.46 5.64 -0.00 0.15 -0.12 115.22 120.48 1m9l n HIS 52 Ca 0.00 -3.38 -0.40 0.00 -0.00 0.00 0.00 57.72 53.94 1m9l n HIS 52 Cb 0.00 -1.64 -0.03 0.00 -0.00 0.00 0.00 29.99 28.32 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 -1.38 3.19 -0.46 0.27 2.96 -0.35 -1.71 118.68 121.21 1m9l s LEU 53 Ca 0.33 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 1m9l s LEU 53 Cb -0.03 -2.56 0.07 0.00 0.50 0.00 0.00 46.19 44.17 1m9l s LEU 53 CO -0.01 -1.92 0.37 0.00 -1.32 0.00 0.00 176.35 173.47 1m9l s ALA 54 N 6.29 3.51 0.00 5.97 0.00 -0.54 -0.82 121.76 136.17 1m9l s ALA 54 Ca 0.41 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1m9l s ALA 54 Cb -0.08 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1m9l s ALA 54 CO 0.15 -1.71 0.00 -0.11 0.00 0.00 0.00 175.76 174.09 1m9l n LEU 55 N 5.14 0.00 0.00 0.00 7.94 -0.56 -1.32 117.00 128.20 1m9l n LEU 55 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1m9l n LEU 55 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1m9l n LEU 55 CO 0.46 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.54 1m9l n SER 56 N -0.51 0.00 -4.47 1.96 7.64 -1.22 -4.44 113.62 112.58 1m9l n SER 56 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1m9l n SER 56 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1m9l n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1m9l s THR 57 N 0.29 4.46 0.06 0.44 -1.32 -0.49 -0.83 115.64 118.26 1m9l s THR 57 Ca 0.00 -0.17 -0.05 0.00 -1.21 0.00 0.00 61.69 60.25 1m9l s THR 57 Cb 0.00 -4.56 -0.02 0.00 -1.51 0.00 0.00 72.50 66.41 1m9l s THR 57 CO 0.00 -1.21 0.09 0.54 -2.21 0.00 0.00 174.62 171.83 1m9l s ASN 58 N 3.21 0.27 0.07 8.08 4.22 -0.52 -1.30 114.94 128.97 1m9l s ASN 58 Ca 0.24 -0.76 0.04 0.00 -2.14 0.00 0.00 52.86 50.24 1m9l s ASN 58 Cb -0.16 0.27 -0.03 0.00 1.28 0.00 0.00 41.25 42.61 1m9l s ASN 58 CO 0.14 -0.64 -0.11 0.20 -2.04 0.00 0.00 177.10 174.64 1m9l s ASN 59 N -2.75 1.35 -0.23 3.54 -0.87 -1.24 -1.58 114.94 113.16 1m9l s ASN 59 Ca 0.04 -0.64 -0.04 0.00 -1.57 0.00 0.00 52.86 50.65 1m9l s ASN 59 Cb 0.05 -0.01 0.08 0.00 -0.02 0.00 0.00 41.25 41.35 1m9l s ASN 59 CO -0.09 -0.16 0.09 -0.63 -2.57 0.00 0.00 177.10 173.73 1m9l s ILE 60 N -1.60 0.21 -0.18 0.60 1.01 0.33 -3.90 121.20 117.67 1m9l s ILE 60 Ca -0.03 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 1m9l s ILE 60 Cb -0.08 -0.95 -0.15 0.00 0.01 0.00 0.00 42.46 41.29 1m9l s ILE 60 CO 0.01 -0.43 0.17 -0.08 0.00 0.00 0.00 174.94 174.61 1m9l h GLU 61 N 8.33 0.00 -4.64 2.79 4.81 -1.19 -3.35 114.58 121.33 1m9l h GLU 61 Ca -0.16 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.72 1m9l h GLU 61 Cb 1.09 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.21 1m9l h GLU 61 CO 0.37 0.72 -0.76 0.21 -0.73 0.00 0.00 179.01 178.81 1m9l s LYS 62 N -2.28 0.60 -0.38 1.92 2.20 -0.72 -4.68 119.74 116.40 1m9l s LYS 62 Ca -0.23 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1m9l s LYS 62 Cb 0.04 -0.52 0.15 0.00 -1.51 0.00 0.00 37.83 35.99 1m9l s LYS 62 CO 0.49 0.13 0.28 -1.50 -0.36 0.00 0.00 175.35 174.39 1m9l s ILE 63 N -0.64 0.13 0.25 5.43 -1.16 -1.19 -3.59 121.20 120.42 1m9l s ILE 63 Ca -0.01 -1.94 0.05 0.00 -0.51 0.00 0.00 60.65 58.23 1m9l s ILE 63 Cb -0.06 -1.09 -0.03 0.00 0.61 0.00 0.00 42.46 41.90 1m9l s ILE 63 CO 0.00 -1.01 1.59 -1.28 -2.81 0.00 0.00 174.94 171.43 1m9l h SER 64 N 6.50 0.27 0.00 4.50 0.87 -1.87 -3.35 113.55 120.47 1m9l h SER 64 Ca 0.13 -0.15 -0.21 0.00 -1.23 0.00 0.00 61.79 60.33 1m9l h SER 64 Cb 0.96 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.78 1m9l h SER 64 CO 0.29 0.78 -0.08 -1.54 -0.53 0.00 0.00 176.83 175.74 1m9l n SER 65 N -3.91 5.27 -0.21 6.23 3.41 -1.26 -4.50 113.62 118.65 1m9l n SER 65 Ca -0.02 -2.45 -0.07 0.00 -0.26 0.00 0.00 58.87 56.07 1m9l n SER 65 Cb 0.59 -1.38 0.03 0.00 -0.26 0.00 0.00 64.21 63.19 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 5.17 0.77 -2.50 1.04 8.10 -1.87 -1.11 115.31 124.92 1m9l h LEU 66 Ca 0.23 -0.13 -0.00 0.00 0.11 0.00 0.00 57.88 58.08 1m9l h LEU 66 Cb 1.38 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 41.41 1m9l h LEU 66 CO 0.34 0.68 -0.02 0.77 -4.11 0.00 0.00 178.44 176.10 1m9l h SER 67 N 0.80 0.00 0.01 0.17 4.64 -1.95 -0.57 113.55 116.66 1m9l h SER 67 Ca 0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1m9l h SER 67 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1m9l h SER 67 CO -0.03 0.02 -0.01 1.23 -0.87 0.00 0.00 176.83 177.18 1m9l h GLY 68 N 0.43 -0.02 1.22 -0.77 0.00 -1.56 -3.30 103.07 99.07 1m9l h GLY 68 Ca -0.00 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.45 1m9l h GLY 68 CO 0.00 -0.01 0.29 -0.33 0.00 0.00 0.00 176.54 176.49 1m9l h MET 69 N -0.90 0.00 0.00 4.80 2.86 -0.49 -3.28 114.93 117.91 1m9l h MET 69 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1m9l h MET 69 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1m9l h MET 69 CO 0.00 0.00 0.00 -1.91 1.06 0.00 0.00 176.91 176.06 1m9l n GLU 70 N -4.32 0.00 0.00 1.72 4.07 -0.29 -1.61 120.64 120.20 1m9l n GLU 70 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1m9l n GLU 70 Cb 0.47 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 1m9l n GLU 70 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1m9l n ASN 71 N -0.57 0.70 -4.81 4.31 4.13 -1.24 -4.60 115.26 113.19 1m9l n ASN 71 Ca 0.00 -1.26 -0.31 0.00 1.68 0.00 0.00 54.58 54.69 1m9l n ASN 71 Cb 0.00 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.29 1m9l n ASN 71 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1m9l s LEU 72 N -0.26 3.12 0.17 3.41 2.96 -0.64 -4.64 118.68 122.80 1m9l s LEU 72 Ca 0.00 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.55 1m9l s LEU 72 Cb 0.00 -4.50 0.00 0.00 0.50 0.00 0.00 46.19 42.19 1m9l s LEU 72 CO 0.00 -1.51 0.00 -1.14 -1.32 0.00 0.00 176.35 172.38 1m9l n ARG 73 N -3.17 0.00 -3.21 1.98 0.63 -1.23 -3.55 116.66 108.10 1m9l n ARG 73 Ca 0.08 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.55 1m9l n ARG 73 Cb 0.53 -0.14 -0.03 0.00 0.45 0.00 0.00 32.46 33.28 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 -2.00 5.26 -0.56 5.15 1.01 0.82 -1.64 121.20 129.23 1m9l s ILE 74 Ca 0.00 -1.92 -0.20 0.00 0.00 0.00 0.00 60.65 58.53 1m9l s ILE 74 Cb 0.00 -4.51 0.07 0.00 0.01 0.00 0.00 42.46 38.03 1m9l s ILE 74 CO 0.00 -1.11 0.73 -0.22 0.00 0.00 0.00 174.94 174.34 1m9l s LEU 75 N 1.26 4.95 -0.98 2.97 0.20 -0.48 -1.21 118.68 125.39 1m9l s LEU 75 Ca 0.18 -1.06 -0.02 0.00 0.69 0.00 0.00 54.13 53.91 1m9l s LEU 75 Cb -0.14 -2.43 0.29 0.00 -0.43 0.00 0.00 46.19 43.48 1m9l s LEU 75 CO -0.05 -1.08 1.26 -1.20 -0.29 0.00 0.00 176.35 174.99 1m9l n SER 76 N 6.57 5.68 -2.71 3.68 7.64 0.00 -0.79 113.62 133.70 1m9l n SER 76 Ca -0.06 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1m9l n SER 76 Cb 0.44 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 1.38 0.00 0.18 -3.43 0.00 0.25 -1.50 117.00 113.88 1m9l n LEU 77 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1m9l n LEU 77 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.77 1m9l n LEU 77 CO 0.62 -0.24 0.00 0.61 0.00 0.00 0.00 177.39 178.38 1m9l n GLY 78 N 4.61 -1.54 2.73 -3.96 0.00 -1.25 -4.61 105.19 101.18 1m9l n GLY 78 Ca 0.00 0.30 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.06 0.29 1.61 3.00 -0.01 -0.43 118.95 121.47 1m9l s ARG 79 Ca 0.00 0.29 -0.14 0.00 -1.00 0.00 0.00 55.73 54.88 1m9l s ARG 79 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 34.95 34.05 1m9l s ARG 79 CO 0.00 -0.48 0.60 0.54 0.00 0.00 0.00 175.30 175.96 1m9l s ASN 80 N 2.24 0.03 -0.03 -2.12 6.03 -0.28 -1.44 114.94 119.36 1m9l s ASN 80 Ca 0.04 -0.97 0.04 0.00 -1.03 0.00 0.00 52.86 50.94 1m9l s ASN 80 Cb -0.14 0.68 -0.00 0.00 -3.03 0.00 0.00 41.25 38.76 1m9l s ASN 80 CO -0.07 -1.32 -0.16 -0.76 -2.03 0.00 0.00 177.10 172.76 1m9l s LEU 81 N -3.03 1.93 0.01 3.54 1.02 -0.62 -1.54 118.68 119.99 1m9l s LEU 81 Ca 0.19 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 54.04 1m9l s LEU 81 Cb -0.03 -0.90 -0.01 0.00 0.02 0.00 0.00 46.19 45.27 1m9l s LEU 81 CO 0.11 0.16 -0.08 -0.63 0.02 0.00 0.00 176.35 175.93 1m9l s ILE 82 N -0.05 0.58 0.14 -0.59 1.01 -0.12 -0.51 121.20 121.66 1m9l s ILE 82 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1m9l s ILE 82 Cb -0.10 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.84 1m9l s ILE 82 CO 0.01 -0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.24 1m9l n LYS 83 N 2.45 0.00 -4.26 2.79 5.02 -1.26 -4.21 118.16 118.70 1m9l n LYS 83 Ca -0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.80 1m9l n LYS 83 Cb 0.57 -0.23 -0.09 0.00 -0.02 0.00 0.00 35.03 35.26 1m9l n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m9l s LYS 84 N -2.00 2.91 -0.33 1.97 1.02 -1.26 -4.50 119.74 117.55 1m9l s LYS 84 Ca 0.00 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.18 1m9l s LYS 84 Cb 0.00 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1m9l s LYS 84 CO 0.00 0.65 1.14 -1.50 -0.92 0.00 0.00 175.35 174.72 1m9l s ILE 85 N -1.06 4.39 0.09 2.17 -1.16 -1.26 -4.70 121.20 119.66 1m9l s ILE 85 Ca 0.19 1.58 0.00 0.00 -0.51 0.00 0.00 60.65 61.91 1m9l s ILE 85 Cb -0.12 -4.36 0.00 0.00 0.61 0.00 0.00 42.46 38.59 1m9l s ILE 85 CO 0.09 -0.52 0.00 -0.62 -2.81 0.00 0.00 174.94 171.08 1m9l n GLU 86 N 7.06 0.00 -0.01 3.50 1.02 -1.26 -4.92 120.64 126.04 1m9l n GLU 86 Ca 0.13 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 1m9l n GLU 86 Cb 0.47 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.75 1m9l n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1m9l n ASN 87 N -2.75 0.60 -0.36 1.62 6.94 -1.26 -4.48 115.26 115.57 1m9l n ASN 87 Ca 0.00 -0.44 0.01 0.00 -0.02 0.00 0.00 54.58 54.13 1m9l n ASN 87 Cb 0.00 1.51 0.16 0.00 -2.36 0.00 0.00 39.78 39.08 1m9l n ASN 87 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1m9l h LEU 88 N 0.00 1.02 -0.73 -4.53 3.38 -1.91 -0.70 115.31 111.84 1m9l h LEU 88 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1m9l h LEU 88 Cb 0.72 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1m9l h LEU 88 CO 0.00 0.67 -0.16 0.44 0.09 0.00 0.00 178.44 179.47 1m9l h ASP 89 N 1.17 0.80 0.19 -0.43 5.19 -1.90 0.15 116.42 121.59 1m9l h ASP 89 Ca 0.41 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1m9l h ASP 89 Cb 0.11 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1m9l h ASP 89 CO -0.16 0.97 -0.09 0.00 -3.12 0.00 0.00 179.24 176.84 1m9l h ALA 90 N 1.10 -0.26 -0.72 3.45 0.00 -1.63 -0.12 119.26 121.08 1m9l h ALA 90 Ca 0.11 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1m9l h ALA 90 Cb 0.67 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1m9l h ALA 90 CO 0.05 -0.39 0.48 -0.39 0.00 0.00 0.00 179.25 178.99 1m9l h VAL 91 N -0.77 1.10 0.00 0.00 -1.51 -1.19 -0.85 116.25 113.02 1m9l h VAL 91 Ca -0.03 -0.30 -0.12 0.00 -1.23 0.00 0.00 66.70 65.03 1m9l h VAL 91 Cb 0.51 0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 29.82 1m9l h VAL 91 CO 0.04 0.16 -0.55 0.00 -1.23 0.00 0.00 177.57 175.99 1m9l h ALA 92 N 1.58 1.06 -0.31 5.19 0.00 -0.64 0.29 119.26 126.43 1m9l h ALA 92 Ca 0.29 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1m9l h ALA 92 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1m9l h ALA 92 CO -0.09 0.69 -0.16 -0.44 0.00 0.00 0.00 179.25 179.25 1m9l h ASP 93 N 0.00 0.68 0.24 0.00 3.32 0.35 -3.37 116.42 117.65 1m9l h ASP 93 Ca -0.01 -0.41 -0.20 0.00 0.02 0.00 0.00 57.03 56.43 1m9l h ASP 93 Cb 0.99 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1m9l h ASP 93 CO 0.07 0.94 -1.94 1.07 -1.72 0.00 0.00 179.24 177.66 1m9l n THR 94 N -4.37 0.95 -0.89 0.35 5.66 -0.66 -5.02 114.28 110.29 1m9l n THR 94 Ca -0.03 -0.70 -0.29 0.00 -3.05 0.00 0.00 64.05 59.98 1m9l n THR 94 Cb 0.39 -0.44 0.23 0.00 -1.55 0.00 0.00 70.33 68.96 1m9l n THR 94 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1m9l s LEU 95 N -5.33 0.81 0.00 1.09 1.43 0.10 -4.62 118.68 112.16 1m9l s LEU 95 Ca -0.07 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1m9l s LEU 95 Cb 0.09 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1m9l s LEU 95 CO 0.85 -3.94 0.00 1.21 0.23 0.00 0.00 176.35 174.69 1m9l n GLU 96 N -4.70 0.00 -3.60 1.70 2.13 -1.19 -4.82 120.64 110.16 1m9l n GLU 96 Ca 0.07 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.51 1m9l n GLU 96 Cb 0.57 -0.08 -0.06 0.00 0.27 0.00 0.00 31.44 32.14 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 -1.54 3.31 -1.34 5.31 2.02 -0.65 -1.79 118.70 124.02 1m9l s GLU 97 Ca 0.00 -3.15 -0.14 0.00 0.02 0.00 0.00 54.97 51.69 1m9l s GLU 97 Cb 0.00 -4.01 0.09 0.00 0.10 0.00 0.00 34.13 30.31 1m9l s GLU 97 CO 0.00 -1.25 1.88 1.28 0.02 0.00 0.00 175.26 177.19 1m9l n LEU 98 N 2.57 5.93 -4.40 1.80 4.77 -0.61 -1.39 117.00 125.69 1m9l n LEU 98 Ca 0.20 -4.21 -0.45 0.00 -0.03 0.00 0.00 56.01 51.52 1m9l n LEU 98 Cb 0.38 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.79 1m9l n LEU 98 CO 0.37 0.78 0.73 0.26 -1.33 0.00 0.00 177.39 178.20 1m9l s TRP 99 N 2.79 3.37 -0.35 -1.77 0.51 0.03 -0.91 118.94 122.61 1m9l s TRP 99 Ca 0.47 -1.61 0.15 0.00 -2.12 0.00 0.00 56.10 52.99 1m9l s TRP 99 Cb 0.07 -4.08 0.42 0.00 -0.81 0.00 0.00 33.47 29.06 1m9l s TRP 99 CO -0.00 -1.28 0.88 0.44 -0.51 0.00 0.00 176.95 176.47 1m9l n ILE 100 N 4.88 0.67 -0.00 2.03 -5.35 -0.58 -0.58 119.36 120.42 1m9l n ILE 100 Ca 0.18 -3.75 -0.00 0.00 -0.27 0.00 0.00 62.75 58.92 1m9l n ILE 100 Cb 0.48 0.21 -0.00 0.00 -1.74 0.00 0.00 39.64 38.59 1m9l n ILE 100 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1m9l n SER 101 N 0.04 -0.01 -4.19 7.28 3.41 -1.14 -3.81 113.62 115.21 1m9l n SER 101 Ca 0.17 0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.45 1m9l n SER 101 Cb 0.74 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.55 1m9l n SER 101 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1m9l s TYR 102 N -5.01 3.16 -0.13 7.33 6.14 0.43 -0.46 117.35 128.81 1m9l s TYR 102 Ca -0.00 -1.70 -0.06 0.00 0.64 0.00 0.00 57.07 55.95 1m9l s TYR 102 Cb 0.00 -2.08 0.06 0.00 0.42 0.00 0.00 41.96 40.36 1m9l s TYR 102 CO 0.01 -0.76 0.29 0.54 0.64 0.00 0.00 175.55 176.26 1m9l s ASN 103 N 1.29 -0.04 -0.34 4.32 2.20 -0.45 -1.13 114.94 120.79 1m9l s ASN 103 Ca -0.02 0.63 -0.20 0.00 -0.94 0.00 0.00 52.86 52.33 1m9l s ASN 103 Cb -0.18 0.64 -0.00 0.00 -2.00 0.00 0.00 41.25 39.71 1m9l s ASN 103 CO -0.03 -0.20 0.62 -1.10 -2.94 0.00 0.00 177.10 173.45 1m9l s GLN 104 N 1.86 3.73 0.27 3.55 -0.21 -0.59 -1.37 119.66 126.91 1m9l s GLN 104 Ca -0.04 0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.46 1m9l s GLN 104 Cb -0.11 -3.79 -0.06 0.00 1.00 0.00 0.00 33.01 30.06 1m9l s GLN 104 CO -0.09 -0.69 0.05 0.42 -2.12 0.00 0.00 175.29 172.86 1m9l s ILE 105 N 2.66 0.92 0.00 1.08 1.01 -0.60 -0.95 121.20 125.33 1m9l s ILE 105 Ca 0.24 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.88 1m9l s ILE 105 Cb -0.15 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1m9l s ILE 105 CO 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 174.94 174.97 1m9l n ALA 106 N -0.52 0.00 -2.63 9.38 0.00 -1.26 -4.33 120.51 121.14 1m9l n ALA 106 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1m9l n ALA 106 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 1m9l n ALA 106 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1m9l s SER 107 N 0.00 7.35 0.02 0.00 0.01 -1.26 -4.99 113.70 114.83 1m9l s SER 107 Ca 0.00 1.71 -0.25 0.00 1.31 0.00 0.00 55.95 58.72 1m9l s SER 107 Cb 0.00 -2.57 -0.18 0.00 0.21 0.00 0.00 66.02 63.48 1m9l s SER 107 CO 0.00 -0.26 1.38 -0.07 0.41 0.00 0.00 173.24 174.70 1m9l h LEU 108 N 6.67 -0.17 -0.82 2.44 -0.00 -1.99 -1.52 115.31 119.92 1m9l h LEU 108 Ca -0.41 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 57.23 1m9l h LEU 108 Cb 1.22 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.88 1m9l h LEU 108 CO 0.75 0.14 0.48 -1.28 -0.00 0.00 0.00 178.44 178.53 1m9l h SER 109 N -0.49 1.00 0.15 -0.43 0.87 -1.99 -1.04 113.55 111.63 1m9l h SER 109 Ca -0.02 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1m9l h SER 109 Cb 0.39 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1m9l h SER 109 CO 0.03 0.79 -0.14 1.23 -0.53 0.00 0.00 176.83 178.22 1m9l h GLY 110 N 1.13 -0.80 0.49 5.77 0.00 -1.93 -1.80 103.07 105.93 1m9l h GLY 110 Ca 0.29 0.35 0.14 0.00 0.00 0.00 0.00 47.33 48.11 1m9l h GLY 110 CO -0.05 -0.28 0.60 0.16 0.00 0.00 0.00 176.54 176.97 1m9l h ILE 111 N -0.29 0.86 0.16 2.60 -0.00 -1.30 -0.95 117.51 118.60 1m9l h ILE 111 Ca -0.02 -0.28 0.02 0.00 -0.00 0.00 0.00 64.86 64.58 1m9l h ILE 111 Cb 0.25 -0.02 -0.04 0.00 -0.00 0.00 0.00 36.82 37.01 1m9l h ILE 111 CO -0.01 0.15 -0.40 -0.08 -0.00 0.00 0.00 178.15 177.81 1m9l h GLU 112 N 0.81 -0.64 0.45 0.16 4.22 -0.90 0.03 114.58 118.71 1m9l h GLU 112 Ca 0.47 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.93 1m9l h GLU 112 Cb 0.64 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1m9l h GLU 112 CO -0.24 -0.42 -0.22 0.87 -2.18 0.00 0.00 179.01 176.82 1m9l h LYS 113 N -0.66 -0.58 -0.63 1.92 1.57 -0.70 -1.35 116.57 116.13 1m9l h LYS 113 Ca 0.02 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.95 1m9l h LYS 113 Cb 0.67 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1m9l h LYS 113 CO -0.21 -0.34 0.43 1.37 -0.57 0.00 0.00 179.45 180.13 1m9l h LEU 114 N -1.11 0.34 0.03 2.94 8.10 -1.25 -0.87 115.31 123.49 1m9l h LEU 114 Ca -0.06 0.01 -0.06 0.00 0.11 0.00 0.00 57.88 57.88 1m9l h LEU 114 Cb 0.52 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 40.68 1m9l h LEU 114 CO 0.10 0.20 -0.26 0.58 -4.11 0.00 0.00 178.44 174.94 1m9l h VAL 115 N 0.37 1.65 -0.66 0.15 2.07 -1.07 -3.26 116.25 115.50 1m9l h VAL 115 Ca 0.30 -2.24 0.19 0.00 0.82 0.00 0.00 66.70 65.77 1m9l h VAL 115 Cb 0.67 3.13 -0.03 0.00 -1.52 0.00 0.00 31.29 33.54 1m9l h VAL 115 CO -0.08 0.60 0.71 -1.13 0.02 0.00 0.00 177.57 177.69 1m9l h ASN 116 N -0.69 0.00 -0.95 0.57 -1.24 -0.16 -3.43 115.58 109.69 1m9l h ASN 116 Ca -0.04 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 1m9l h ASN 116 Cb 1.14 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.22 1m9l h ASN 116 CO 0.05 0.00 -0.02 -0.11 -1.29 0.00 0.00 177.43 176.06 1m9l n LEU 117 N -3.59 0.00 0.00 0.34 7.94 -0.44 -4.69 117.00 116.55 1m9l n LEU 117 Ca 0.13 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1m9l n LEU 117 Cb 0.94 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1m9l n LEU 117 CO 0.27 -1.76 0.03 0.54 -1.11 0.00 0.00 177.39 175.36 1m9l n ARG 118 N 0.38 0.00 -4.85 1.96 5.12 -1.26 -4.49 116.66 113.52 1m9l n ARG 118 Ca 0.02 0.46 -0.28 0.00 -1.93 0.00 0.00 57.85 56.12 1m9l n ARG 118 Cb 0.08 -0.99 -0.17 0.00 -1.16 0.00 0.00 32.46 30.23 1m9l n ARG 118 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1m9l s VAL 119 N -1.03 1.52 -0.03 1.55 0.11 -0.74 -1.77 120.40 120.01 1m9l s VAL 119 Ca 0.00 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1m9l s VAL 119 Cb 0.00 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1m9l s VAL 119 CO 0.00 0.44 0.06 -1.48 -3.33 0.00 0.00 175.10 170.79 1m9l s LEU 120 N 0.49 1.29 -0.24 2.54 2.34 -0.66 -1.57 118.68 122.88 1m9l s LEU 120 Ca -0.16 0.12 -0.00 0.00 0.06 0.00 0.00 54.13 54.15 1m9l s LEU 120 Cb -0.16 0.12 0.03 0.00 -0.56 0.00 0.00 46.19 45.62 1m9l s LEU 120 CO 0.06 -0.09 -0.09 -0.31 -1.06 0.00 0.00 176.35 174.86 1m9l s TYR 121 N 0.68 3.08 -0.38 3.48 2.02 -0.09 -1.25 117.35 124.88 1m9l s TYR 121 Ca -0.05 -1.76 0.02 0.00 -0.37 0.00 0.00 57.07 54.90 1m9l s TYR 121 Cb -0.08 -2.01 0.15 0.00 -0.40 0.00 0.00 41.96 39.63 1m9l s TYR 121 CO -0.02 -0.78 0.27 -1.64 -1.57 0.00 0.00 175.55 171.80 1m9l s MET 122 N 1.26 0.74 0.29 -0.62 -1.94 0.73 -1.53 119.30 118.23 1m9l s MET 122 Ca -0.01 -1.70 0.15 0.00 -1.71 0.00 0.00 55.69 52.41 1m9l s MET 122 Cb -0.17 -1.41 0.30 0.00 2.01 0.00 0.00 34.83 35.56 1m9l s MET 122 CO -0.06 -1.28 1.55 0.66 -0.01 0.00 0.00 175.02 175.88 1m9l h SER 123 N 6.41 0.00 -3.29 3.03 4.64 -1.64 0.16 113.55 122.85 1m9l h SER 123 Ca 0.15 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.98 1m9l h SER 123 Cb 0.94 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.67 1m9l h SER 123 CO 0.32 0.54 -0.79 0.20 -0.87 0.00 0.00 176.83 176.23 1m9l s ASN 124 N -6.52 1.78 0.25 4.97 0.01 0.39 -0.12 114.94 115.70 1m9l s ASN 124 Ca 0.01 -0.23 -0.21 0.00 -0.71 0.00 0.00 52.86 51.72 1m9l s ASN 124 Cb 0.10 -0.69 0.03 0.00 0.41 0.00 0.00 41.25 41.09 1m9l s ASN 124 CO 0.73 -0.09 0.69 0.54 -1.51 0.00 0.00 177.10 177.45 1m9l s ASN 125 N 1.43 -0.32 -0.21 -1.22 2.20 0.16 -1.33 114.94 115.65 1m9l s ASN 125 Ca -0.01 -0.49 0.01 0.00 -0.94 0.00 0.00 52.86 51.42 1m9l s ASN 125 Cb -0.13 0.70 0.05 0.00 -2.00 0.00 0.00 41.25 39.86 1m9l s ASN 125 CO -0.04 -1.26 -0.07 -0.54 -2.94 0.00 0.00 177.10 172.24 1m9l s LYS 126 N -3.89 1.76 -0.22 3.55 -0.14 -0.47 -3.29 119.74 117.04 1m9l s LYS 126 Ca 0.09 -0.85 -0.18 0.00 -1.36 0.00 0.00 55.97 53.67 1m9l s LYS 126 Cb -0.05 -2.42 0.06 0.00 -1.68 0.00 0.00 37.83 33.74 1m9l s LYS 126 CO 0.03 -0.50 0.58 0.42 -0.76 0.00 0.00 175.35 175.12 1m9l s ILE 127 N 1.44 -0.00 0.00 2.17 1.01 -1.26 -1.55 121.20 123.00 1m9l s ILE 127 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1m9l s ILE 127 Cb -0.17 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1m9l s ILE 127 CO -0.07 0.00 0.01 0.35 0.00 0.00 0.00 174.94 175.23 1m9l n THR 128 N 3.20 0.00 -1.45 2.92 -2.24 -1.26 -1.59 114.28 113.86 1m9l n THR 128 Ca -0.16 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 1m9l n THR 128 Cb 0.56 1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 70.06 1m9l n THR 128 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1m9l n ASN 129 N -0.05 8.21 -0.32 3.42 5.15 -1.26 -4.66 115.26 125.76 1m9l n ASN 129 Ca 0.00 -2.67 0.08 0.00 -0.60 0.00 0.00 54.58 51.38 1m9l n ASN 129 Cb 0.07 -1.54 0.24 0.00 -0.53 0.00 0.00 39.78 38.02 1m9l n ASN 129 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1m9l h TRP 130 N 5.05 0.89 -1.00 1.20 7.01 -1.93 0.34 115.95 127.51 1m9l h TRP 130 Ca 0.82 0.03 0.31 0.00 2.11 0.00 0.00 58.89 62.17 1m9l h TRP 130 Cb 0.32 -0.26 -0.18 0.00 -2.10 0.00 0.00 29.16 26.93 1m9l h TRP 130 CO 1.81 0.26 0.15 0.78 -2.79 0.00 0.00 178.44 178.64 1m9l h GLY 131 N 0.73 1.50 0.00 2.65 0.00 -2.02 -1.53 103.07 104.41 1m9l h GLY 131 Ca 0.48 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1m9l h GLY 131 CO -0.33 -0.60 0.00 1.18 0.00 0.00 0.00 176.54 176.79 1m9l n GLU 132 N -5.44 0.00 -0.24 4.80 1.02 -0.78 -4.79 120.64 115.21 1m9l n GLU 132 Ca 0.27 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.59 1m9l n GLU 132 Cb 0.90 -0.31 0.33 0.00 -0.02 0.00 0.00 31.44 32.34 1m9l n GLU 132 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1m9l n ILE 133 N -2.34 -0.30 -0.31 -3.67 5.41 0.11 -1.38 119.36 116.87 1m9l n ILE 133 Ca 0.00 1.53 -0.00 0.00 1.00 0.00 0.00 62.75 65.28 1m9l n ILE 133 Cb 0.00 -2.36 0.06 0.00 -0.71 0.00 0.00 39.64 36.63 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 -1.14 0.00 4.38 3.58 -1.42 -1.46 116.42 120.36 1m9l h ASP 134 Ca 0.53 0.27 -0.44 0.00 0.42 0.00 0.00 57.03 57.82 1m9l h ASP 134 Cb 1.30 0.64 -0.07 0.00 1.72 0.00 0.00 39.33 42.91 1m9l h ASP 134 CO -0.62 -0.29 -2.52 0.29 -2.88 0.00 0.00 179.24 173.22 1m9l n LYS 135 N -5.50 0.61 -0.27 0.28 4.01 -0.95 -4.56 118.16 111.77 1m9l n LYS 135 Ca 0.10 0.22 0.33 0.00 -0.51 0.00 0.00 58.31 58.44 1m9l n LYS 135 Cb 0.41 -1.50 0.63 0.00 -0.51 0.00 0.00 35.03 34.06 1m9l n LYS 135 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1m9l h LEU 136 N -0.61 0.00 -0.18 -0.35 5.85 -1.13 0.11 115.31 119.00 1m9l h LEU 136 Ca -0.66 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1m9l h LEU 136 Cb 1.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1m9l h LEU 136 CO -0.30 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.80 1m9l n ALA 137 N -2.48 1.82 -3.49 1.25 0.00 -0.56 -4.71 120.51 112.33 1m9l n ALA 137 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 1m9l n ALA 137 Cb 1.41 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.35 -1.54 0.38 0.00 0.00 -0.05 -3.40 120.51 115.54 1m9l n ALA 138 Ca 0.00 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 1m9l n ALA 138 Cb 0.02 -4.19 -0.10 0.00 0.00 0.00 0.00 19.45 15.17 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 -2.32 -1.32 -1.86 0.00 7.12 -1.62 -1.50 115.31 113.80 1m9l h LEU 139 Ca -0.56 0.09 0.18 0.00 0.13 0.00 0.00 57.88 57.72 1m9l h LEU 139 Cb 1.35 0.41 -0.03 0.00 -0.53 0.00 0.00 40.66 41.85 1m9l h LEU 139 CO 0.52 -0.73 0.49 -0.78 -0.13 0.00 0.00 178.44 177.80 1m9l h ASP 140 N -1.15 0.13 0.00 1.25 1.82 -1.92 -3.26 116.42 113.28 1m9l h ASP 140 Ca -0.09 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1m9l h ASP 140 Cb 0.94 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1m9l h ASP 140 CO 0.04 0.06 0.00 1.17 -1.61 0.00 0.00 179.24 178.90 1m9l n LYS 141 N -4.39 0.00 -0.18 0.28 4.81 -1.06 -3.61 118.16 114.00 1m9l n LYS 141 Ca 0.14 0.40 -0.06 0.00 -0.87 0.00 0.00 58.31 57.92 1m9l n LYS 141 Cb 0.67 -0.90 -0.00 0.00 0.02 0.00 0.00 35.03 34.83 1m9l n LYS 141 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1m9l n LEU 142 N -1.92 -0.24 -0.03 3.14 0.00 -0.59 -1.05 117.00 116.32 1m9l n LEU 142 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 56.01 56.13 1m9l n LEU 142 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 43.42 43.29 1m9l n LEU 142 CO 0.00 -0.45 -0.16 -0.62 0.00 0.00 0.00 177.39 176.15 1m9l n GLU 143 N 0.15 0.17 -3.71 1.96 1.02 -1.26 -3.49 120.64 115.49 1m9l n GLU 143 Ca 0.02 0.27 -0.37 0.00 -0.02 0.00 0.00 57.16 57.06 1m9l n GLU 143 Cb 0.04 -1.02 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 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 -4.43 5.33 -0.38 1.62 1.11 -0.73 -1.13 116.67 118.07 1m9l s ASP 144 Ca -0.07 -2.48 -0.01 0.00 0.18 0.00 0.00 52.55 50.17 1m9l s ASP 144 Cb 0.01 -1.87 0.10 0.00 1.07 0.00 0.00 42.92 42.23 1m9l s ASP 144 CO 0.10 -0.47 0.14 -1.48 1.18 0.00 0.00 175.17 174.65 1m9l s LEU 145 N 0.49 4.95 -0.35 1.23 2.34 -0.72 -1.66 118.68 124.97 1m9l s LEU 145 Ca 0.13 -1.96 -0.09 0.00 0.06 0.00 0.00 54.13 52.27 1m9l s LEU 145 Cb -0.21 -1.77 0.02 0.00 -0.56 0.00 0.00 46.19 43.68 1m9l s LEU 145 CO -0.04 -0.47 0.15 -0.22 -1.06 0.00 0.00 176.35 174.72 1m9l s LEU 146 N 1.10 4.41 -0.37 1.48 2.96 -0.38 -0.46 118.68 127.41 1m9l s LEU 146 Ca 0.07 -0.95 0.13 0.00 -0.22 0.00 0.00 54.13 53.16 1m9l s LEU 146 Cb -0.21 -1.95 0.39 0.00 0.50 0.00 0.00 46.19 44.91 1m9l s LEU 146 CO -0.05 -0.32 0.93 0.00 -1.32 0.00 0.00 176.35 175.59 1m9l n LEU 147 N 4.92 0.31 -0.20 -0.68 -0.00 -1.20 -0.20 117.00 119.95 1m9l n LEU 147 Ca -0.13 -4.20 -0.08 0.00 -0.00 0.00 0.00 56.01 51.60 1m9l n LEU 147 Cb 0.46 0.57 0.06 0.00 -0.00 0.00 0.00 43.42 44.51 1m9l n LEU 147 CO 0.34 1.96 0.86 0.00 -0.00 0.00 0.00 177.39 180.55 1m9l h ALA 148 N 2.89 0.91 -2.93 1.47 0.00 -0.83 -3.42 119.26 117.34 1m9l h ALA 148 Ca -0.04 -0.29 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 1m9l h ALA 148 Cb 1.10 -0.23 -0.23 0.00 0.00 0.00 0.00 17.79 18.43 1m9l h ALA 148 CO 0.39 0.66 -0.59 0.20 0.00 0.00 0.00 179.25 179.90 1m9l s GLY 149 N -3.58 1.81 0.00 0.00 0.00 0.83 -4.73 107.32 101.65 1m9l s GLY 149 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1m9l s GLY 149 CO 0.85 0.61 0.00 1.16 0.00 0.00 0.00 173.10 175.72 1m9l n ASN 150 N 4.95 0.00 -0.33 1.64 0.23 -1.21 0.39 115.26 120.93 1m9l n ASN 150 Ca -0.15 0.00 0.29 0.00 -0.53 0.00 0.00 54.58 54.19 1m9l n ASN 150 Cb 0.50 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.76 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 0.10 0.04 -0.53 0.11 -1.77 -1.28 132.00 128.68 1m9l h PRO 151 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1m9l h PRO 151 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1m9l h PRO 151 CO 0.00 0.07 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.67 1m9l h LEU 152 N 0.11 -0.36 -0.27 2.35 3.38 -1.56 0.16 115.31 119.12 1m9l h LEU 152 Ca 0.81 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.88 1m9l h LEU 152 Cb 2.07 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.88 1m9l h LEU 152 CO -0.71 -0.13 -0.21 0.22 0.09 0.00 0.00 178.44 177.69 1m9l h TYR 153 N -0.18 -0.56 0.00 1.13 3.20 -1.58 -0.68 116.97 118.30 1m9l h TYR 153 Ca -0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1m9l h TYR 153 Cb 0.18 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1m9l h TYR 153 CO -0.30 -0.29 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.01 1m9l h ASN 154 N -0.20 0.00 -0.07 -2.11 4.21 -1.32 -1.66 115.58 114.43 1m9l h ASN 154 Ca 0.15 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.58 1m9l h ASN 154 Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1m9l h ASN 154 CO -0.39 0.01 -0.26 0.44 -1.29 0.00 0.00 177.43 175.95 1m9l h ASP 155 N 0.00 0.35 0.03 5.81 3.32 0.78 -3.21 116.42 123.50 1m9l h ASP 155 Ca -0.00 -0.62 0.02 0.00 0.02 0.00 0.00 57.03 56.45 1m9l h ASP 155 Cb 0.02 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1m9l h ASP 155 CO 0.00 0.91 -0.21 0.22 -1.72 0.00 0.00 179.24 178.44 1m9l h TYR 156 N -0.20 -0.57 0.00 4.55 3.20 -0.74 -3.47 116.97 119.75 1m9l h TYR 156 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1m9l h TYR 156 Cb 0.89 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1m9l h TYR 156 CO 0.13 -0.30 0.00 1.17 -1.64 0.00 0.00 178.16 177.51 1m9l n LYS 157 N -5.34 0.00 0.00 1.82 4.81 -0.67 -4.74 118.16 114.03 1m9l n LYS 157 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1m9l n LYS 157 Cb 0.25 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.30 1m9l n LYS 157 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1m9l n GLU 158 N 0.00 0.00 -1.75 1.64 0.28 -1.14 -1.14 120.64 118.52 1m9l n GLU 158 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1m9l n GLU 158 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1m9l n GLU 158 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1m9l n ASN 159 N -1.26 0.33 0.00 -1.84 2.85 -1.26 -4.72 115.26 109.36 1m9l n ASN 159 Ca 0.00 -2.03 0.00 0.00 -0.11 0.00 0.00 54.58 52.44 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 -0.06 0.00 -0.05 1.20 2.85 -0.30 -4.81 115.26 114.10 1m9l n ASN 160 Ca -0.05 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.41 1m9l n ASN 160 Cb 0.94 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.81 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 -0.96 2.07 -0.04 5.20 0.00 -0.80 -3.87 120.51 122.11 1m9l n ALA 161 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 53.44 52.41 1m9l n ALA 161 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 1.38 -0.62 0.00 2.02 -1.85 0.33 112.91 114.18 1m9l h THR 162 Ca -0.28 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.21 1m9l h THR 162 Cb 1.59 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 70.12 1m9l h THR 162 CO 0.02 0.49 0.30 -1.28 0.37 0.00 0.00 175.52 175.41 1m9l h SER 163 N 0.00 0.80 -0.51 4.18 0.87 -1.78 -1.29 113.55 115.81 1m9l h SER 163 Ca -0.01 -0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1m9l h SER 163 Cb 0.97 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 1m9l h SER 163 CO 0.07 0.68 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.92 1m9l h GLU 164 N 0.88 0.94 0.08 2.24 4.22 -1.64 -1.49 114.58 119.79 1m9l h GLU 164 Ca 0.22 -0.33 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1m9l h GLU 164 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1m9l h GLU 164 CO -0.03 0.98 -0.04 1.88 -2.18 0.00 0.00 179.01 179.63 1m9l h TYR 165 N 0.80 -0.09 -0.41 0.92 0.05 -0.28 -0.84 116.97 117.11 1m9l h TYR 165 Ca 0.14 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.00 1m9l h TYR 165 Cb 0.60 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.29 1m9l h TYR 165 CO 0.04 0.05 -0.11 -0.09 -1.05 0.00 0.00 178.16 177.00 1m9l h ARG 166 N -0.21 -0.01 -0.61 4.88 1.12 -1.18 0.20 114.38 118.56 1m9l h ARG 166 Ca -0.01 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.92 1m9l h ARG 166 Cb 0.18 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.09 1m9l h ARG 166 CO 0.02 -0.01 0.33 0.82 -3.11 0.00 0.00 179.97 178.02 1m9l h ILE 167 N -0.01 0.95 -0.10 1.20 2.04 -1.09 -0.38 117.51 120.13 1m9l h ILE 167 Ca 0.20 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1m9l h ILE 167 Cb 0.31 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1m9l h ILE 167 CO -0.43 0.11 -0.29 -0.08 0.00 0.00 0.00 178.15 177.46 1m9l h GLU 168 N 0.61 0.19 0.00 2.37 4.57 -0.07 -0.74 114.58 121.51 1m9l h GLU 168 Ca 0.28 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1m9l h GLU 168 Cb 0.18 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1m9l h GLU 168 CO -0.18 0.47 0.00 0.28 -1.18 0.00 0.00 179.01 178.40 1m9l n VAL 169 N -4.14 0.00 -0.18 0.32 0.31 0.60 -0.82 118.33 114.43 1m9l n VAL 169 Ca -0.01 0.95 0.29 0.00 -0.01 0.00 0.00 64.34 65.56 1m9l n VAL 169 Cb 0.38 -1.81 0.72 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.43 0.00 2.52 3.04 -1.18 -0.51 116.25 120.55 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 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 1m9l h VAL 170 CO 0.00 0.00 -0.31 0.50 -1.01 0.00 0.00 177.57 176.75 1m9l h LYS 171 N 0.00 0.00 0.00 4.17 3.64 -1.19 -3.45 116.57 119.73 1m9l h LYS 171 Ca 0.43 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.50 1m9l h LYS 171 Cb 1.85 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.61 1m9l h LYS 171 CO -0.00 0.48 -2.17 -2.13 -2.27 0.00 0.00 179.45 173.36 1m9l n ARG 172 N -4.64 0.67 -3.01 1.90 0.63 -0.00 -5.00 116.66 107.22 1m9l n ARG 172 Ca -0.10 0.10 -0.39 0.00 -0.92 0.00 0.00 57.85 56.53 1m9l n ARG 172 Cb 0.31 -1.41 -0.06 0.00 0.45 0.00 0.00 32.46 31.75 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 -6.02 4.55 -0.14 6.15 1.43 -0.23 -5.02 118.68 119.39 1m9l s LEU 173 Ca -0.24 1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 54.18 1m9l s LEU 173 Cb 0.07 -3.24 -0.21 0.00 0.03 0.00 0.00 46.19 42.84 1m9l s LEU 173 CO 0.51 0.16 0.59 1.55 0.23 0.00 0.00 176.35 179.39 1m9l h PRO 174 N 4.75 0.00 0.00 1.29 0.13 -1.91 -3.44 132.00 132.81 1m9l h PRO 174 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1m9l h PRO 174 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1m9l h PRO 174 CO 0.67 0.81 0.00 0.09 -0.23 0.00 0.00 178.00 179.34 1m9l n ASN 175 N -4.63 0.00 0.00 1.44 3.02 -1.26 -4.87 115.26 108.95 1m9l n ASN 175 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1m9l n ASN 175 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1m9l n ASN 175 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1m9l n LEU 176 N 0.00 0.00 -0.03 3.41 7.94 -0.21 -4.92 117.00 123.19 1m9l n LEU 176 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1m9l n LEU 176 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1m9l n LEU 176 CO 0.00 0.00 -0.70 0.29 -1.11 0.00 0.00 177.39 175.87 1m9l n LYS 177 N 0.00 0.16 -3.58 1.96 5.02 -1.22 -4.79 118.16 115.71 1m9l n LYS 177 Ca 0.00 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1m9l n LYS 177 Cb 0.00 -0.76 -0.11 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.15 2.94 -0.57 1.97 -0.14 -0.28 -4.82 119.74 116.69 1m9l s LYS 178 Ca -0.10 -1.01 -0.01 0.00 -1.36 0.00 0.00 55.97 53.49 1m9l s LYS 178 Cb 0.04 -3.76 0.15 0.00 -1.68 0.00 0.00 37.83 32.58 1m9l s LYS 178 CO 0.13 -0.66 0.36 -1.17 -0.76 0.00 0.00 175.35 173.25 1m9l s LEU 179 N 1.59 4.96 0.00 3.17 1.98 -1.26 -1.76 118.68 127.36 1m9l s LEU 179 Ca 0.03 -2.83 0.00 0.00 -2.89 0.00 0.00 54.13 48.44 1m9l s LEU 179 Cb -0.19 -1.78 0.00 0.00 0.66 0.00 0.00 46.19 44.88 1m9l s LEU 179 CO 0.07 -0.34 0.00 -0.67 -1.89 0.00 0.00 176.35 173.52 1m9l n ASP 180 N 3.47 0.00 0.00 3.68 2.03 0.39 -4.65 116.55 121.47 1m9l n ASP 180 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1m9l n ASP 180 Cb 0.37 -2.04 0.00 0.00 -0.72 0.00 0.00 41.12 38.72 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 -0.22 0.22 0.27 0.00 -1.26 -4.39 105.19 97.80 1m9l n GLY 181 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.06 -0.04 1.61 2.81 -1.26 -1.64 117.12 118.53 1m9l n MET 182 Ca 0.00 0.92 0.21 0.00 -1.81 0.00 0.00 57.70 57.03 1m9l n MET 182 Cb 0.00 -1.38 0.42 0.00 -0.71 0.00 0.00 33.22 31.56 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 -0.47 0.03 0.13 -1.83 -3.20 132.00 126.67 1m9l h PRO 183 Ca 0.27 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.45 1m9l h PRO 183 Cb 0.42 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.49 1m9l h PRO 183 CO -0.61 0.00 -0.33 -0.39 -0.23 0.00 0.00 178.00 176.44 1m9l h VAL 184 N 0.00 0.00 0.00 1.56 -1.51 -1.66 -3.40 116.25 111.24 1m9l h VAL 184 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 1m9l h VAL 184 Cb 2.38 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 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 -4.25 -1.65 0.00 4.19 8.00 -1.21 -1.46 116.55 120.16 1m9l n ASP 185 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1m9l n ASP 185 Cb 0.16 -1.71 0.00 0.00 -0.02 0.00 0.00 41.12 39.55 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 -0.83 0.00 0.19 2.53 3.14 -1.26 -4.94 118.33 117.16 1m9l n VAL 186 Ca 0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 1m9l n VAL 186 Cb 0.14 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 33.06 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 0.35 6.55 3.58 -1.58 -3.06 116.42 122.27 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 0.21 0.00 -0.62 -2.88 0.00 0.00 179.24 175.95 1m9l n GLU 188 N -3.16 0.16 0.00 0.28 -0.58 -1.22 -0.42 120.64 115.70 1m9l n GLU 188 Ca 0.03 0.52 0.13 0.00 -0.42 0.00 0.00 57.16 57.42 1m9l n GLU 188 Cb 0.60 -1.89 0.35 0.00 -0.57 0.00 0.00 31.44 29.94 1m9l n GLU 188 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1m9l n ARG 189 N -2.20 1.10 0.07 3.49 5.12 -1.15 -2.72 116.66 120.36 1m9l n ARG 189 Ca 0.00 -0.70 0.00 0.00 -1.93 0.00 0.00 57.85 55.23 1m9l n ARG 189 Cb 0.13 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 1m9l n ARG 189 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1m9l n GLU 190 N -0.34 0.00 -0.03 5.56 -0.58 -0.05 -4.45 120.64 120.75 1m9l n GLU 190 Ca 0.13 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.74 1m9l n GLU 190 Cb 0.37 -0.40 -0.09 0.00 -0.57 0.00 0.00 31.44 30.75 1m9l n GLU 190 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1m9l h GLN 191 N 0.00 0.15 0.00 3.49 4.15 -0.99 -0.42 115.11 121.50 1m9l h GLN 191 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1m9l h GLN 191 Cb 0.02 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1m9l h GLN 191 CO 0.00 0.66 -0.10 0.00 -1.93 0.00 0.00 178.83 177.45 1m9l h ALA 192 N 0.49 1.00 0.15 3.38 0.00 -1.61 -0.94 119.26 121.73 1m9l h ALA 192 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1m9l h ALA 192 Cb 0.65 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1m9l h ALA 192 CO 0.02 0.13 -1.14 -0.97 0.00 0.00 0.00 179.25 177.29 1m9l h ASN 193 N 0.00 0.49 -0.63 0.00 -1.24 -1.50 -0.40 115.58 112.30 1m9l h ASN 193 Ca -0.00 -0.91 -0.06 0.00 0.71 0.00 0.00 56.30 56.03 1m9l h ASN 193 Cb 0.68 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.55 1m9l h ASN 193 CO 0.01 1.52 0.14 0.58 -1.29 0.00 0.00 177.43 178.40 1m9l h VAL 194 N -0.27 1.26 -0.21 2.57 2.07 -0.99 0.30 116.25 120.97 1m9l h VAL 194 Ca -0.22 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.20 1m9l h VAL 194 Cb 1.76 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1m9l h VAL 194 CO 0.13 0.35 -0.52 0.00 0.02 0.00 0.00 177.57 177.55 1m9l h ALA 195 N 1.04 0.69 -0.55 1.67 0.00 -1.25 -2.54 119.26 118.33 1m9l h ALA 195 Ca 0.20 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1m9l h ALA 195 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1m9l h ALA 195 CO 0.00 0.68 0.35 0.00 0.00 0.00 0.00 179.25 180.28 1m9l h ARG 196 N 0.47 0.68 0.00 0.00 2.47 -0.78 -3.45 114.38 113.76 1m9l h ARG 196 Ca 0.01 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1m9l h ARG 196 Cb 1.07 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1m9l h ARG 196 CO 0.10 0.45 0.00 0.41 0.56 0.00 0.00 179.97 181.49 1m9l n GLY 197 N -1.25 0.00 0.81 0.04 0.00 -0.56 -5.08 105.19 99.15 1m9l n GLY 197 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93