#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 2.05 -3.10 3.04 0.00 -1.26 -4.25 120.51 116.99 1m9l n ALA 2 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 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 -1.55 3.11 -3.28 0.00 5.02 -1.26 -4.17 118.16 116.03 1m9l n LYS 3 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1m9l n LYS 3 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 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 -2.00 -1.30 0.00 7.82 0.00 -1.26 -4.91 121.76 120.12 1m9l s ALA 4 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1m9l s ALA 4 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1m9l s ALA 4 CO 0.00 -2.18 0.00 0.25 0.00 0.00 0.00 175.76 173.83 1m9l n THR 5 N 4.26 0.00 -3.54 0.00 -2.24 -1.26 -4.49 114.28 107.02 1m9l n THR 5 Ca 0.12 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1m9l n THR 5 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 1m9l n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1m9l s THR 6 N 1.91 5.14 0.05 4.28 -4.23 -1.26 -3.18 115.64 118.35 1m9l s THR 6 Ca 0.00 -0.48 -0.23 0.00 -1.18 0.00 0.00 61.69 59.80 1m9l s THR 6 Cb 0.00 -3.82 -0.12 0.00 1.34 0.00 0.00 72.50 69.90 1m9l s THR 6 CO 0.00 -0.42 1.36 -0.29 -0.54 0.00 0.00 174.62 174.73 1m9l h ILE 7 N 1.04 0.00 -0.26 2.99 2.10 -1.91 0.60 117.51 122.07 1m9l h ILE 7 Ca -0.50 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.48 1m9l h ILE 7 Cb 1.21 0.00 -0.06 0.00 -1.09 0.00 0.00 36.82 36.88 1m9l h ILE 7 CO 0.63 0.00 -0.43 0.11 -1.08 0.00 0.00 178.15 177.38 1m9l h LYS 8 N -0.69 -0.34 0.63 2.19 1.57 -1.97 0.41 116.57 118.38 1m9l h LYS 8 Ca -0.05 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1m9l h LYS 8 Cb 0.58 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1m9l h LYS 8 CO -0.02 -0.22 -0.39 -0.44 -0.57 0.00 0.00 179.45 177.81 1m9l h ASP 9 N -0.35 -0.98 -0.40 0.86 3.32 -1.99 -1.80 116.42 115.08 1m9l h ASP 9 Ca 0.05 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.24 1m9l h ASP 9 Cb 0.48 0.29 -0.09 0.00 0.22 0.00 0.00 39.33 40.23 1m9l h ASP 9 CO -0.43 -0.60 -0.28 0.00 -1.72 0.00 0.00 179.24 176.20 1m9l h ALA 10 N -0.67 -0.07 -0.33 3.45 0.00 -0.63 0.32 119.26 121.33 1m9l h ALA 10 Ca -0.08 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1m9l h ALA 10 Cb 0.78 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1m9l h ALA 10 CO 0.08 -0.66 0.22 0.82 0.00 0.00 0.00 179.25 179.70 1m9l h ILE 11 N -0.21 1.08 -0.23 0.00 2.04 -0.87 0.27 117.51 119.59 1m9l h ILE 11 Ca 0.19 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1m9l h ILE 11 Cb 0.51 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1m9l h ILE 11 CO -0.52 0.08 -0.12 -0.09 0.00 0.00 0.00 178.15 177.50 1m9l h ARG 12 N 0.44 0.37 0.00 2.37 2.43 -0.82 -1.29 114.38 117.88 1m9l h ARG 12 Ca 0.12 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1m9l h ARG 12 Cb -0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1m9l h ARG 12 CO -0.03 0.49 -0.28 0.82 -1.51 0.00 0.00 179.97 179.46 1m9l h ILE 13 N 0.35 0.84 0.06 1.20 2.04 0.94 0.16 117.51 123.10 1m9l h ILE 13 Ca 0.07 -1.11 -0.24 0.00 1.00 0.00 0.00 64.86 64.59 1m9l h ILE 13 Cb 0.42 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1m9l h ILE 13 CO 0.02 0.27 -1.06 -0.26 0.00 0.00 0.00 178.15 177.13 1m9l h PHE 14 N 0.00 0.37 0.00 1.37 0.04 0.36 0.17 116.94 119.25 1m9l h PHE 14 Ca -0.00 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 1m9l h PHE 14 Cb 0.64 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 1m9l h PHE 14 CO 0.00 1.13 -0.11 1.49 -0.60 0.00 0.00 178.31 180.22 1m9l h GLU 15 N 0.09 0.00 0.00 1.51 4.81 -0.15 0.38 114.58 121.22 1m9l h GLU 15 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1m9l h GLU 15 Cb 1.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.13 1m9l h GLU 15 CO 0.17 0.11 -0.84 0.39 -0.73 0.00 0.00 179.01 178.11 1m9l n GLU 16 N -3.37 0.48 0.11 1.92 1.02 0.46 -3.51 120.64 117.75 1m9l n GLU 16 Ca -0.01 0.26 -0.06 0.00 -0.02 0.00 0.00 57.16 57.34 1m9l n GLU 16 Cb 0.29 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.93 -0.35 -0.76 3.49 2.43 -0.81 -3.23 114.38 114.20 1m9l h ARG 17 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1m9l h ARG 17 Cb 0.84 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1m9l h ARG 17 CO 0.00 -0.24 0.50 -0.22 -1.51 0.00 0.00 179.97 178.51 1m9l h LYS 18 N -0.98 0.93 -2.88 0.20 3.11 -1.57 -3.47 116.57 111.90 1m9l h LYS 18 Ca -0.04 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.69 1m9l h LYS 18 Cb 0.28 -0.21 0.03 0.00 -1.00 0.00 0.00 32.23 31.34 1m9l h LYS 18 CO 0.06 0.61 -0.15 0.45 -2.81 0.00 0.00 179.45 177.62 1m9l n SER 19 N -4.45 -2.24 -0.75 4.20 2.88 0.13 -5.00 113.62 108.39 1m9l n SER 19 Ca 0.09 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1m9l n SER 19 Cb 0.10 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 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 -1.64 0.00 -2.99 2.46 0.24 -0.75 -4.94 118.33 110.72 1m9l n VAL 20 Ca -0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 1m9l n VAL 20 Cb 0.53 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 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 -1.99 4.65 0.00 3.34 1.01 -1.26 -4.13 120.40 122.01 1m9l s VAL 21 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1m9l s VAL 21 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1m9l s VAL 21 CO 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 175.10 174.29 1m9l n ALA 22 N 6.74 0.10 -4.07 5.51 0.00 -1.26 -4.01 120.51 123.53 1m9l n ALA 22 Ca 0.00 -0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1m9l n ALA 22 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 1m9l n ALA 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1m9l n THR 23 N -1.59 -1.87 -2.20 0.00 -1.04 -1.26 -1.50 114.28 104.81 1m9l n THR 23 Ca 0.00 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1m9l n THR 23 Cb 0.00 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 66.88 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 -4.47 -2.34 -2.20 -2.82 2.13 -1.26 -4.84 120.64 104.84 1m9l n GLU 24 Ca -0.15 0.01 -0.32 0.00 0.66 0.00 0.00 57.16 57.35 1m9l n GLU 24 Cb 0.53 -3.43 -0.01 0.00 0.27 0.00 0.00 31.44 28.80 1m9l n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1m9l s ALA 25 N -1.64 2.88 -0.01 4.31 0.00 -0.56 -4.79 121.76 121.95 1m9l s ALA 25 Ca 0.07 0.31 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 1m9l s ALA 25 Cb -0.04 -3.19 -0.20 0.00 0.00 0.00 0.00 23.12 19.70 1m9l s ALA 25 CO 0.08 -0.56 1.18 0.93 0.00 0.00 0.00 175.76 177.39 1m9l h GLU 26 N 0.66 0.25 -5.51 0.00 3.07 -1.89 -3.40 114.58 107.76 1m9l h GLU 26 Ca -0.47 -0.19 -0.62 0.00 -0.50 0.00 0.00 59.36 57.58 1m9l h GLU 26 Cb 1.21 0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 29.01 1m9l h GLU 26 CO 0.59 0.83 0.59 0.15 -1.40 0.00 0.00 179.01 179.77 1m9l s LYS 27 N -3.69 3.13 -0.31 2.33 1.02 -1.26 0.34 119.74 121.30 1m9l s LYS 27 Ca -0.15 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.05 1m9l s LYS 27 Cb 0.03 -4.24 0.08 0.00 -0.52 0.00 0.00 37.83 33.17 1m9l s LYS 27 CO 0.75 -1.84 -0.01 0.08 -0.92 0.00 0.00 175.35 173.40 1m9l s VAL 28 N 4.17 2.43 -1.00 3.17 1.01 -0.66 -4.89 120.40 124.62 1m9l s VAL 28 Ca 0.23 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.12 1m9l s VAL 28 Cb -0.16 -2.57 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1m9l s VAL 28 CO 0.10 -0.30 1.32 -1.61 0.00 0.00 0.00 175.10 174.62 1m9l s GLU 29 N 1.06 3.62 0.00 2.72 8.01 -1.26 -1.62 118.70 131.23 1m9l s GLU 29 Ca 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 54.97 53.53 1m9l s GLU 29 Cb -0.20 -5.17 0.00 0.00 -4.31 0.00 0.00 34.13 24.45 1m9l s GLU 29 CO -0.05 -2.02 0.00 1.28 0.01 0.00 0.00 175.26 174.48 1m9l n LEU 30 N 7.81 0.00 0.00 1.80 4.77 -0.19 -4.51 117.00 126.68 1m9l n LEU 30 Ca 0.30 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1m9l n LEU 30 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1m9l n LEU 30 CO 0.60 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.23 1m9l n HIS 31 N 0.00 0.00 -3.83 -1.77 -0.00 -1.25 -4.60 115.22 103.77 1m9l n HIS 31 Ca 0.00 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 1m9l n HIS 31 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.11 0.06 -0.02 1.57 0.00 -1.26 -0.72 107.32 106.85 1m9l s GLY 32 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 44.72 44.04 1m9l s GLY 32 CO 0.00 0.16 0.66 -0.29 0.00 0.00 0.00 173.10 173.63 1m9l s MET 33 N -3.05 1.08 0.12 2.90 1.75 -0.54 0.32 119.30 121.87 1m9l s MET 33 Ca 0.14 0.14 -0.30 0.00 -1.25 0.00 0.00 55.69 54.42 1m9l s MET 33 Cb -0.04 0.51 -0.06 0.00 2.84 0.00 0.00 34.83 38.07 1m9l s MET 33 CO 0.07 -0.36 0.96 0.96 -0.65 0.00 0.00 175.02 176.00 1m9l s ILE 34 N -1.57 4.48 0.26 10.11 -4.36 -1.26 -3.36 121.20 125.50 1m9l s ILE 34 Ca -0.09 2.07 -0.09 0.00 -0.26 0.00 0.00 60.65 62.28 1m9l s ILE 34 Cb -0.00 -4.32 0.38 0.00 1.25 0.00 0.00 42.46 39.76 1m9l s ILE 34 CO 0.06 0.33 1.59 -0.65 0.24 0.00 0.00 174.94 176.51 1m9l h PRO 35 N 5.51 0.01 -0.13 0.37 0.11 -1.96 -1.79 132.00 134.12 1m9l h PRO 35 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1m9l h PRO 35 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1m9l h PRO 35 CO 0.72 0.00 0.00 -2.30 -0.21 0.00 0.00 178.00 176.21 1m9l n PRO 36 N -5.54 0.45 -1.24 1.05 -0.02 -1.26 -0.87 135.00 127.57 1m9l n PRO 36 Ca 0.14 0.00 -0.54 0.00 -2.02 0.00 0.00 63.50 61.08 1m9l n PRO 36 Cb 0.47 -1.07 -0.10 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.27 0.00 0.00 4.25 0.00 -0.67 -4.73 119.36 117.94 1m9l n ILE 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1m9l n ILE 37 Cb 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 39.64 39.25 1m9l n ILE 37 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1m9l n GLU 38 N 5.22 0.00 -3.69 9.51 2.13 -1.25 -1.84 120.64 130.71 1m9l n GLU 38 Ca 0.39 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.85 1m9l n GLU 38 Cb -0.04 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.60 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 0.67 4.06 -1.08 5.31 1.02 -1.26 -1.13 119.74 127.32 1m9l s LYS 39 Ca 0.00 -0.09 -0.05 0.00 0.02 0.00 0.00 55.97 55.85 1m9l s LYS 39 Cb 0.00 -3.37 0.30 0.00 -0.52 0.00 0.00 37.83 34.24 1m9l s LYS 39 CO 0.00 0.39 1.35 -0.12 -0.92 0.00 0.00 175.35 176.05 1m9l n MET 40 N 3.17 4.13 0.00 1.68 1.56 -1.26 -4.04 117.12 122.36 1m9l n MET 40 Ca -0.15 -4.53 0.07 0.00 -0.27 0.00 0.00 57.70 52.81 1m9l n MET 40 Cb 0.53 -2.52 0.47 0.00 2.15 0.00 0.00 33.22 33.85 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 5.79 0.39 0.32 6.12 1.82 -1.87 0.21 116.42 129.20 1m9l h ASP 41 Ca 0.19 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1m9l h ASP 41 Cb 0.70 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 1m9l h ASP 41 CO 1.22 0.27 -0.41 0.00 -1.61 0.00 0.00 179.24 178.71 1m9l h ALA 42 N 1.76 -1.03 -0.53 -0.78 0.00 -1.80 -1.50 119.26 115.39 1m9l h ALA 42 Ca 0.17 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1m9l h ALA 42 Cb 0.12 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1m9l h ALA 42 CO -0.04 -1.07 -0.05 1.15 0.00 0.00 0.00 179.25 179.24 1m9l h THR 43 N -0.74 0.54 -0.74 0.00 2.02 -1.82 0.95 112.91 113.12 1m9l h THR 43 Ca -0.04 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.25 1m9l h THR 43 Cb 0.67 0.46 -0.14 0.00 -1.74 0.00 0.00 68.15 67.40 1m9l h THR 43 CO -0.10 0.01 -0.28 0.25 0.37 0.00 0.00 175.52 175.78 1m9l h LEU 44 N 0.07 -0.99 0.00 2.58 5.85 -0.26 0.53 115.31 123.08 1m9l h LEU 44 Ca 0.26 0.24 -0.06 0.00 0.84 0.00 0.00 57.88 59.16 1m9l h LEU 44 Cb 0.41 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1m9l h LEU 44 CO -0.48 -0.28 -0.63 -1.28 -0.34 0.00 0.00 178.44 175.43 1m9l h SER 45 N -0.06 0.00 0.00 1.25 0.87 -0.97 -3.36 113.55 111.28 1m9l h SER 45 Ca 0.32 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1m9l h SER 45 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1m9l h SER 45 CO -0.78 0.94 0.09 1.07 -0.53 0.00 0.00 176.83 177.61 1m9l n THR 46 N -4.59 1.16 -0.27 2.23 5.66 0.30 -1.92 114.28 116.85 1m9l n THR 46 Ca -0.13 0.38 0.09 0.00 -3.05 0.00 0.00 64.05 61.33 1m9l n THR 46 Cb 0.36 -1.38 0.23 0.00 -1.55 0.00 0.00 70.33 67.99 1m9l n THR 46 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1m9l h LEU 47 N 0.00 0.06 -0.81 1.09 -0.00 -0.09 0.17 115.31 115.74 1m9l h LEU 47 Ca 0.00 0.16 0.20 0.00 -0.00 0.00 0.00 57.88 58.23 1m9l h LEU 47 Cb 0.18 0.20 -0.13 0.00 -0.00 0.00 0.00 40.66 40.91 1m9l h LEU 47 CO 0.00 -0.06 0.15 0.11 -0.00 0.00 0.00 178.44 178.64 1m9l h LYS 48 N 0.28 0.19 0.00 0.17 1.57 -1.66 0.29 116.57 117.41 1m9l h LYS 48 Ca 0.47 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.18 1m9l h LYS 48 Cb 0.86 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1m9l h LYS 48 CO -0.55 0.12 -0.91 0.00 -0.57 0.00 0.00 179.45 177.54 1m9l h ALA 49 N 1.72 0.63 -1.46 3.86 0.00 -1.30 -3.49 119.26 119.22 1m9l h ALA 49 Ca 0.47 -0.28 -0.68 0.00 0.00 0.00 0.00 54.91 54.42 1m9l h ALA 49 Cb 0.88 0.07 0.08 0.00 0.00 0.00 0.00 17.79 18.82 1m9l h ALA 49 CO -0.62 0.32 0.07 0.00 0.00 0.00 0.00 179.25 179.02 1m9l n LYS 51 N 1.54 0.00 -3.13 0.00 4.81 -1.22 -4.52 118.16 115.64 1m9l n LYS 51 Ca 0.17 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.17 1m9l n LYS 51 Cb 0.21 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.27 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 -1.86 3.72 -2.58 5.64 -0.00 0.15 0.05 115.22 120.35 1m9l n HIS 52 Ca 0.00 -3.21 -0.42 0.00 -0.00 0.00 0.00 57.72 54.10 1m9l n HIS 52 Cb 0.00 -1.51 -0.03 0.00 -0.00 0.00 0.00 29.99 28.45 1m9l n HIS 52 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1m9l s LEU 53 N -1.90 3.35 -0.38 0.27 1.02 -0.20 -1.65 118.68 119.18 1m9l s LEU 53 Ca 0.32 -0.17 -0.11 0.00 0.02 0.00 0.00 54.13 54.19 1m9l s LEU 53 Cb -0.02 -2.88 0.03 0.00 0.02 0.00 0.00 46.19 43.34 1m9l s LEU 53 CO 0.02 -1.64 0.22 0.00 0.02 0.00 0.00 176.35 174.97 1m9l s ALA 54 N 5.28 3.30 0.00 4.21 0.00 -0.64 -1.15 121.76 132.75 1m9l s ALA 54 Ca 0.39 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1m9l s ALA 54 Cb -0.08 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1m9l s ALA 54 CO 0.20 -1.39 0.00 1.28 0.00 0.00 0.00 175.76 175.86 1m9l n LEU 55 N 5.01 0.00 0.00 0.00 7.99 -0.27 -1.02 117.00 128.71 1m9l n LEU 55 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1m9l n LEU 55 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1m9l n LEU 55 CO 0.37 -0.09 0.00 -0.24 -1.51 0.00 0.00 177.39 175.92 1m9l n SER 56 N -1.23 0.00 -4.50 -1.43 2.88 -0.86 -4.20 113.62 104.27 1m9l n SER 56 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1m9l n SER 56 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 4.54 0.08 2.46 -1.32 0.10 -0.60 115.64 120.91 1m9l s THR 57 Ca 0.00 0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.38 1m9l s THR 57 Cb 0.00 -4.45 0.05 0.00 -1.51 0.00 0.00 72.50 66.59 1m9l s THR 57 CO 0.00 -0.99 0.48 0.54 -2.21 0.00 0.00 174.62 172.45 1m9l s ASN 58 N 2.72 -0.38 0.11 8.08 4.22 -0.58 -1.47 114.94 127.64 1m9l s ASN 58 Ca 0.26 0.01 0.09 0.00 -2.14 0.00 0.00 52.86 51.09 1m9l s ASN 58 Cb -0.14 0.49 -0.04 0.00 1.28 0.00 0.00 41.25 42.84 1m9l s ASN 58 CO 0.18 -0.77 -0.23 0.20 -2.04 0.00 0.00 177.10 174.43 1m9l s ASN 59 N -2.27 2.83 -0.24 3.54 0.02 -1.21 -1.65 114.94 115.96 1m9l s ASN 59 Ca -0.03 -0.71 -0.02 0.00 -1.02 0.00 0.00 52.86 51.08 1m9l s ASN 59 Cb -0.00 -0.17 0.08 0.00 0.02 0.00 0.00 41.25 41.17 1m9l s ASN 59 CO -0.06 0.10 0.05 -0.63 0.02 0.00 0.00 177.10 176.59 1m9l s ILE 60 N -1.14 0.76 -0.17 0.60 1.01 0.06 -3.75 121.20 118.58 1m9l s ILE 60 Ca 0.09 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1m9l s ILE 60 Cb -0.10 -1.36 -0.11 0.00 0.01 0.00 0.00 42.46 40.90 1m9l s ILE 60 CO 0.05 -0.38 0.07 -0.08 0.00 0.00 0.00 174.94 174.60 1m9l h GLU 61 N 8.16 0.00 -1.28 2.79 4.81 -1.20 -3.36 114.58 124.50 1m9l h GLU 61 Ca -0.16 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.85 1m9l h GLU 61 Cb 1.07 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.24 1m9l h GLU 61 CO 0.40 0.49 -0.58 0.21 -0.73 0.00 0.00 179.01 178.80 1m9l s LYS 62 N -2.23 1.00 -1.14 1.92 2.20 -0.77 -4.71 119.74 116.02 1m9l s LYS 62 Ca -0.20 -1.15 -0.21 0.00 -0.36 0.00 0.00 55.97 54.05 1m9l s LYS 62 Cb 0.03 -0.30 0.04 0.00 -1.51 0.00 0.00 37.83 36.09 1m9l s LYS 62 CO 0.39 -1.32 1.64 -1.50 -0.36 0.00 0.00 175.35 174.20 1m9l s ILE 63 N 0.86 3.94 0.53 5.43 -1.16 -1.23 -3.93 121.20 125.64 1m9l s ILE 63 Ca 0.28 -1.21 0.30 0.00 -0.51 0.00 0.00 60.65 59.51 1m9l s ILE 63 Cb -0.01 -5.00 0.34 0.00 0.61 0.00 0.00 42.46 38.40 1m9l s ILE 63 CO -0.08 -1.83 2.20 -1.28 -2.81 0.00 0.00 174.94 171.14 1m9l h SER 64 N 9.01 0.00 -0.09 4.50 0.87 -1.42 -3.34 113.55 123.07 1m9l h SER 64 Ca 0.29 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 60.16 1m9l h SER 64 Cb 0.95 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1m9l h SER 64 CO 1.41 0.04 3.49 -1.54 -0.53 0.00 0.00 176.83 179.70 1m9l n SER 65 N -3.74 6.89 -0.02 6.23 3.41 -1.26 -4.63 113.62 120.50 1m9l n SER 65 Ca -0.03 -2.71 -0.12 0.00 -0.26 0.00 0.00 58.87 55.76 1m9l n SER 65 Cb 0.14 -1.58 -0.07 0.00 -0.26 0.00 0.00 64.21 62.43 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 8.03 0.15 -2.62 1.04 8.10 -1.90 -1.26 115.31 126.85 1m9l h LEU 66 Ca 0.75 -0.27 -0.00 0.00 0.11 0.00 0.00 57.88 58.47 1m9l h LEU 66 Cb 0.42 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1m9l h LEU 66 CO 1.81 0.38 -0.01 0.77 -4.11 0.00 0.00 178.44 177.28 1m9l h SER 67 N -0.08 0.00 0.05 0.17 4.64 -1.95 -0.84 113.55 115.52 1m9l h SER 67 Ca 0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1m9l h SER 67 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1m9l h SER 67 CO 0.00 0.01 -0.02 1.23 -0.87 0.00 0.00 176.83 177.18 1m9l h GLY 68 N 0.12 -0.06 1.47 -0.77 0.00 -1.75 -3.25 103.07 98.83 1m9l h GLY 68 Ca -0.00 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1m9l h GLY 68 CO 0.00 -0.02 0.21 -0.33 0.00 0.00 0.00 176.54 176.40 1m9l h MET 69 N -0.82 0.00 0.00 4.80 2.86 -0.22 -3.31 114.93 118.24 1m9l h MET 69 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1m9l h MET 69 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1m9l h MET 69 CO 0.01 0.00 0.00 -1.91 1.06 0.00 0.00 176.91 176.07 1m9l n GLU 70 N -3.86 0.00 0.00 1.72 4.07 -0.42 -1.58 120.64 120.56 1m9l n GLU 70 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1m9l n GLU 70 Cb 0.34 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.44 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 -0.49 0.64 -4.74 4.31 4.13 -1.24 -4.62 115.26 113.24 1m9l n ASN 71 Ca 0.00 -0.89 -0.35 0.00 1.68 0.00 0.00 54.58 55.02 1m9l n ASN 71 Cb 0.00 0.13 0.07 0.00 -1.54 0.00 0.00 39.78 38.44 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 3.42 0.17 3.41 2.96 -0.62 -4.73 118.68 123.04 1m9l s LEU 72 Ca 0.00 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 1m9l s LEU 72 Cb 0.00 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 42.10 1m9l s LEU 72 CO 0.00 -1.98 0.00 0.54 -1.32 0.00 0.00 176.35 173.59 1m9l n ARG 73 N -2.37 0.00 -3.32 1.98 1.74 -1.24 -3.23 116.66 110.22 1m9l n ARG 73 Ca 0.13 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.76 1m9l n ARG 73 Cb 0.50 -0.25 -0.06 0.00 -1.02 0.00 0.00 32.46 31.64 1m9l n ARG 73 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1m9l s ILE 74 N -2.00 5.20 -0.46 0.55 1.01 0.11 -1.54 121.20 124.06 1m9l s ILE 74 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 1m9l s ILE 74 Cb 0.00 -4.28 0.06 0.00 0.01 0.00 0.00 42.46 38.25 1m9l s ILE 74 CO 0.00 -0.79 0.37 -0.22 0.00 0.00 0.00 174.94 174.30 1m9l s LEU 75 N 1.67 5.51 -0.85 2.97 2.96 -0.46 -1.04 118.68 129.44 1m9l s LEU 75 Ca 0.04 -1.27 0.01 0.00 -0.22 0.00 0.00 54.13 52.69 1m9l s LEU 75 Cb -0.28 -2.17 0.27 0.00 0.50 0.00 0.00 46.19 44.51 1m9l s LEU 75 CO 0.04 -0.61 1.04 -1.20 -1.32 0.00 0.00 176.35 174.31 1m9l n SER 76 N 5.18 4.89 -2.81 3.68 7.64 -0.30 -0.83 113.62 131.06 1m9l n SER 76 Ca -0.12 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1m9l n SER 76 Cb 0.44 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 1.27 0.00 0.10 -3.43 0.00 0.41 -1.11 117.00 114.23 1m9l n LEU 77 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1m9l n LEU 77 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.79 1m9l n LEU 77 CO 0.53 -0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.39 1m9l n GLY 78 N 4.80 -1.18 2.64 -3.96 0.00 -1.24 -4.60 105.19 101.65 1m9l n GLY 78 Ca 0.00 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 0.03 0.12 1.61 3.00 0.24 -0.16 118.95 121.78 1m9l s ARG 79 Ca 0.00 0.10 -0.20 0.00 -1.00 0.00 0.00 55.73 54.63 1m9l s ARG 79 Cb 0.00 -1.31 0.05 0.00 0.00 0.00 0.00 34.95 33.69 1m9l s ARG 79 CO 0.00 -0.53 0.50 0.54 0.00 0.00 0.00 175.30 175.81 1m9l s ASN 80 N 2.14 -0.40 -0.15 -2.12 6.03 -0.37 -1.52 114.94 118.56 1m9l s ASN 80 Ca 0.03 -0.09 -0.03 0.00 -1.03 0.00 0.00 52.86 51.74 1m9l s ASN 80 Cb -0.14 0.52 -0.03 0.00 -3.03 0.00 0.00 41.25 38.57 1m9l s ASN 80 CO -0.07 -0.86 -0.05 -0.76 -2.03 0.00 0.00 177.10 173.33 1m9l s LEU 81 N -2.58 3.18 -0.04 3.54 1.02 -0.66 -0.91 118.68 122.23 1m9l s LEU 81 Ca 0.00 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.03 1m9l s LEU 81 Cb 0.00 -1.75 0.01 0.00 0.02 0.00 0.00 46.19 44.46 1m9l s LEU 81 CO -0.10 0.18 -0.11 -0.63 0.02 0.00 0.00 176.35 175.71 1m9l s ILE 82 N 0.27 0.98 0.09 -0.59 1.01 -0.14 -0.76 121.20 122.06 1m9l s ILE 82 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1m9l s ILE 82 Cb -0.14 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1m9l s ILE 82 CO 0.03 0.30 0.00 0.29 0.00 0.00 0.00 174.94 175.57 1m9l n LYS 83 N 3.42 0.00 -4.99 2.79 5.02 -1.26 -4.06 118.16 119.08 1m9l n LYS 83 Ca -0.20 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.79 1m9l n LYS 83 Cb 0.53 -0.41 -0.15 0.00 -0.02 0.00 0.00 35.03 34.98 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 1.84 -0.14 1.97 1.02 -1.26 -4.58 119.74 116.59 1m9l s LYS 84 Ca 0.00 -1.04 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 1m9l s LYS 84 Cb 0.00 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1m9l s LYS 84 CO 0.00 0.51 1.07 -1.50 -0.92 0.00 0.00 175.35 174.51 1m9l s ILE 85 N -0.75 4.63 0.39 2.17 -1.16 -1.26 -4.68 121.20 120.55 1m9l s ILE 85 Ca 0.11 1.93 0.00 0.00 -0.51 0.00 0.00 60.65 62.18 1m9l s ILE 85 Cb -0.10 -4.24 0.00 0.00 0.61 0.00 0.00 42.46 38.73 1m9l s ILE 85 CO 0.01 -0.07 0.00 1.21 -2.81 0.00 0.00 174.94 173.29 1m9l n GLU 86 N 5.59 0.00 0.12 3.50 2.13 -1.26 -4.91 120.64 125.81 1m9l n GLU 86 Ca 0.11 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.98 1m9l n GLU 86 Cb 0.47 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.20 1m9l n GLU 86 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1m9l h ASN 87 N 0.00 0.00 -0.92 4.31 -1.07 -1.83 -3.36 115.58 112.70 1m9l h ASN 87 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 1m9l h ASN 87 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 1m9l h ASN 87 CO 0.00 0.32 0.56 -0.07 0.07 0.00 0.00 177.43 178.31 1m9l h LEU 88 N 0.00 1.10 -0.55 6.14 3.38 -1.91 -1.25 115.31 122.23 1m9l h LEU 88 Ca -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1m9l h LEU 88 Cb 1.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1m9l h LEU 88 CO 0.03 0.84 0.33 -0.78 0.09 0.00 0.00 178.44 178.95 1m9l h ASP 89 N 1.27 0.66 0.30 -0.43 3.58 -1.92 -0.02 116.42 119.86 1m9l h ASP 89 Ca 0.33 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 1m9l h ASP 89 Cb -0.07 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1m9l h ASP 89 CO -0.06 0.53 -0.14 0.00 -2.88 0.00 0.00 179.24 176.69 1m9l h ALA 90 N 1.16 -0.40 -0.84 -0.78 0.00 -1.66 -0.35 119.26 116.39 1m9l h ALA 90 Ca 0.20 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1m9l h ALA 90 Cb -0.01 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1m9l h ALA 90 CO -0.04 -0.47 0.48 -0.39 0.00 0.00 0.00 179.25 178.83 1m9l h VAL 91 N -0.92 0.89 -0.34 0.00 -1.51 -1.29 -0.87 116.25 112.20 1m9l h VAL 91 Ca -0.04 -0.27 -0.09 0.00 -1.23 0.00 0.00 66.70 65.07 1m9l h VAL 91 Cb 0.51 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.69 1m9l h VAL 91 CO 0.07 0.14 -0.15 0.00 -1.23 0.00 0.00 177.57 176.40 1m9l h ALA 92 N 1.47 1.10 -0.45 5.19 0.00 -0.98 0.31 119.26 125.90 1m9l h ALA 92 Ca 0.41 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1m9l h ALA 92 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1m9l h ALA 92 CO -0.26 0.56 -0.07 -0.44 0.00 0.00 0.00 179.25 179.03 1m9l h ASP 93 N 0.56 0.85 0.27 0.00 3.32 0.30 -3.33 116.42 118.39 1m9l h ASP 93 Ca 0.09 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1m9l h ASP 93 Cb 0.58 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1m9l h ASP 93 CO 0.04 0.99 -1.74 1.07 -1.72 0.00 0.00 179.24 177.88 1m9l n THR 94 N -4.30 0.22 -1.25 0.35 5.66 -0.69 -5.01 114.28 109.27 1m9l n THR 94 Ca -0.00 -0.53 -0.30 0.00 -3.05 0.00 0.00 64.05 60.17 1m9l n THR 94 Cb 0.36 -0.12 0.12 0.00 -1.55 0.00 0.00 70.33 69.14 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 -4.79 2.56 0.00 1.09 1.43 0.11 -4.50 118.68 114.58 1m9l s LEU 95 Ca -0.06 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1m9l s LEU 95 Cb 0.13 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1m9l s LEU 95 CO 0.87 -2.38 0.00 1.21 0.23 0.00 0.00 176.35 176.28 1m9l n GLU 96 N -3.73 0.00 -3.61 1.70 2.13 -1.09 -4.72 120.64 111.33 1m9l n GLU 96 Ca 0.08 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.53 1m9l n GLU 96 Cb 0.54 -0.25 -0.06 0.00 0.27 0.00 0.00 31.44 31.95 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 -1.48 3.34 -1.37 5.31 2.02 -0.59 -1.60 118.70 124.33 1m9l s GLU 97 Ca 0.00 -3.23 -0.14 0.00 0.02 0.00 0.00 54.97 51.63 1m9l s GLU 97 Cb 0.00 -4.01 0.08 0.00 0.10 0.00 0.00 34.13 30.30 1m9l s GLU 97 CO 0.00 -1.26 2.00 1.28 0.02 0.00 0.00 175.26 177.31 1m9l n LEU 98 N 2.45 6.35 -4.40 1.80 4.77 -0.56 -1.35 117.00 126.05 1m9l n LEU 98 Ca 0.21 -4.23 -0.45 0.00 -0.03 0.00 0.00 56.01 51.51 1m9l n LEU 98 Cb 0.37 -1.63 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 1m9l n LEU 98 CO 0.37 0.96 0.67 0.26 -1.33 0.00 0.00 177.39 178.33 1m9l s TRP 99 N 2.65 3.23 -0.35 -1.77 0.51 -0.01 -0.97 118.94 122.24 1m9l s TRP 99 Ca 0.46 -1.39 0.15 0.00 -2.12 0.00 0.00 56.10 53.20 1m9l s TRP 99 Cb 0.10 -4.09 0.43 0.00 -0.81 0.00 0.00 33.47 29.10 1m9l s TRP 99 CO -0.03 -1.32 0.93 0.44 -0.51 0.00 0.00 176.95 176.46 1m9l n ILE 100 N 5.13 0.99 0.00 2.03 -5.35 -0.27 -0.45 119.36 121.44 1m9l n ILE 100 Ca 0.11 -3.62 0.00 0.00 -0.27 0.00 0.00 62.75 58.97 1m9l n ILE 100 Cb 0.47 0.22 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 -0.05 0.00 -4.20 7.28 3.41 -1.11 -3.85 113.62 115.11 1m9l n SER 101 Ca 0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.43 1m9l n SER 101 Cb 0.76 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.56 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 -4.99 3.00 0.05 7.33 6.14 0.77 -1.13 117.35 128.52 1m9l s TYR 102 Ca 0.00 -1.49 -0.12 0.00 0.64 0.00 0.00 57.07 56.10 1m9l s TYR 102 Cb 0.00 -2.04 0.01 0.00 0.42 0.00 0.00 41.96 40.36 1m9l s TYR 102 CO 0.00 -0.72 0.26 0.54 0.64 0.00 0.00 175.55 176.28 1m9l s ASN 103 N 1.34 -0.06 -0.13 4.32 2.20 -0.46 -1.24 114.94 120.92 1m9l s ASN 103 Ca 0.02 -0.30 0.01 0.00 -0.94 0.00 0.00 52.86 51.65 1m9l s ASN 103 Cb -0.16 0.34 0.02 0.00 -2.00 0.00 0.00 41.25 39.45 1m9l s ASN 103 CO -0.06 -0.62 -0.15 -1.10 -2.94 0.00 0.00 177.10 172.23 1m9l s GLN 104 N -2.77 2.28 0.22 3.55 -0.21 -0.09 -1.13 119.66 121.51 1m9l s GLN 104 Ca -0.03 -0.57 -0.02 0.00 0.02 0.00 0.00 55.36 54.76 1m9l s GLN 104 Cb -0.00 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.96 1m9l s GLN 104 CO -0.05 -0.15 0.19 0.42 -2.12 0.00 0.00 175.29 173.58 1m9l s ILE 105 N 1.24 0.00 0.00 1.08 1.01 -0.61 -0.97 121.20 122.95 1m9l s ILE 105 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.72 1m9l s ILE 105 Cb -0.14 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1m9l s ILE 105 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.88 1m9l n ALA 106 N -0.32 0.00 -2.01 9.38 0.00 -1.26 -4.37 120.51 121.92 1m9l n ALA 106 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1m9l n ALA 106 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 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 7.57 0.05 0.00 0.01 -1.26 -5.00 113.70 115.07 1m9l s SER 107 Ca 0.00 1.87 -0.18 0.00 1.31 0.00 0.00 55.95 58.96 1m9l s SER 107 Cb 0.00 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.46 1m9l s SER 107 CO 0.00 0.04 1.24 -0.07 0.41 0.00 0.00 173.24 174.87 1m9l h LEU 108 N 4.87 0.62 -0.28 2.44 -0.00 -1.99 -1.44 115.31 119.53 1m9l h LEU 108 Ca -0.44 -0.63 -0.07 0.00 -0.00 0.00 0.00 57.88 56.75 1m9l h LEU 108 Cb 1.21 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1m9l h LEU 108 CO 0.70 1.14 -0.09 -1.28 -0.00 0.00 0.00 178.44 178.91 1m9l h SER 109 N 0.13 0.57 0.56 -0.43 0.87 -1.99 -1.19 113.55 112.08 1m9l h SER 109 Ca -0.03 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1m9l h SER 109 Cb 1.11 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 1m9l h SER 109 CO 0.10 0.82 -0.40 1.23 -0.53 0.00 0.00 176.83 178.05 1m9l h GLY 110 N 0.31 -1.03 0.94 5.77 0.00 -1.96 -1.76 103.07 105.34 1m9l h GLY 110 Ca 0.07 0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.86 1m9l h GLY 110 CO 0.03 -0.36 0.51 0.16 0.00 0.00 0.00 176.54 176.88 1m9l h ILE 111 N -0.92 1.16 -0.29 2.60 -0.00 -1.32 -1.26 117.51 117.48 1m9l h ILE 111 Ca -0.06 -0.35 0.06 0.00 -0.00 0.00 0.00 64.86 64.51 1m9l h ILE 111 Cb 0.77 0.06 -0.07 0.00 -0.00 0.00 0.00 36.82 37.58 1m9l h ILE 111 CO 0.03 0.18 -0.14 -0.08 -0.00 0.00 0.00 178.15 178.14 1m9l h GLU 112 N 1.01 -0.10 0.38 0.16 4.81 -0.97 -0.47 114.58 119.41 1m9l h GLU 112 Ca 0.30 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1m9l h GLU 112 Cb -0.05 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1m9l h GLU 112 CO -0.09 -0.07 -0.18 0.87 -0.73 0.00 0.00 179.01 178.81 1m9l h LYS 113 N -0.10 -0.50 -0.06 1.92 1.79 -0.96 -0.71 116.57 117.95 1m9l h LYS 113 Ca 0.15 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1m9l h LYS 113 Cb 0.33 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1m9l h LYS 113 CO -0.36 -0.33 0.06 1.37 -1.08 0.00 0.00 179.45 179.11 1m9l h LEU 114 N -0.85 0.00 0.12 2.94 8.10 -1.27 -1.39 115.31 122.96 1m9l h LEU 114 Ca -0.05 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.67 1m9l h LEU 114 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1m9l h LEU 114 CO 0.09 0.00 -1.35 0.58 -4.11 0.00 0.00 178.44 173.65 1m9l h VAL 115 N 0.00 1.09 -0.88 0.15 2.07 -1.18 -3.31 116.25 114.20 1m9l h VAL 115 Ca 0.03 -2.42 0.25 0.00 0.82 0.00 0.00 66.70 65.38 1m9l h VAL 115 Cb 0.14 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 1m9l h VAL 115 CO -0.00 0.71 0.71 -1.13 0.02 0.00 0.00 177.57 177.87 1m9l h ASN 116 N -0.30 0.00 -0.92 0.57 -0.73 -0.11 -3.43 115.58 110.66 1m9l h ASN 116 Ca -0.28 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 57.74 1m9l h ASN 116 Cb 1.76 0.00 0.08 0.00 0.27 0.00 0.00 38.32 40.43 1m9l h ASN 116 CO 0.07 0.00 -0.84 -0.11 -0.37 0.00 0.00 177.43 176.18 1m9l n LEU 117 N -4.02 -2.14 0.00 0.34 7.94 -0.62 -4.63 117.00 113.88 1m9l n LEU 117 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1m9l n LEU 117 Cb 1.01 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1m9l n LEU 117 CO 0.35 -1.99 0.02 0.54 -1.11 0.00 0.00 177.39 175.20 1m9l n ARG 118 N 1.99 0.00 -5.03 1.96 5.12 -1.26 -4.51 116.66 114.93 1m9l n ARG 118 Ca -0.01 0.46 -0.29 0.00 -1.93 0.00 0.00 57.85 56.08 1m9l n ARG 118 Cb 0.23 -0.98 -0.17 0.00 -1.16 0.00 0.00 32.46 30.39 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 -0.98 1.75 -0.09 1.55 0.11 -0.62 -1.68 120.40 120.43 1m9l s VAL 119 Ca 0.00 -0.86 -0.05 0.00 -2.93 0.00 0.00 61.98 58.14 1m9l s VAL 119 Cb 0.00 -1.52 0.04 0.00 -1.53 0.00 0.00 36.38 33.37 1m9l s VAL 119 CO 0.00 0.49 0.21 -1.48 -3.33 0.00 0.00 175.10 171.00 1m9l s LEU 120 N 0.27 0.59 -0.27 2.54 0.05 -0.60 -1.50 118.68 119.76 1m9l s LEU 120 Ca -0.13 0.45 -0.04 0.00 0.05 0.00 0.00 54.13 54.47 1m9l s LEU 120 Cb -0.16 0.63 0.02 0.00 -2.05 0.00 0.00 46.19 44.63 1m9l s LEU 120 CO 0.06 -0.15 -0.01 -0.31 -0.55 0.00 0.00 176.35 175.39 1m9l s TYR 121 N 1.10 3.10 0.01 3.48 2.02 -0.14 -0.93 117.35 125.99 1m9l s TYR 121 Ca -0.08 -1.33 0.01 0.00 -0.37 0.00 0.00 57.07 55.30 1m9l s TYR 121 Cb -0.10 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1m9l s TYR 121 CO -0.07 -0.67 -0.04 -1.64 -1.57 0.00 0.00 175.55 171.56 1m9l s MET 122 N 1.39 0.33 0.00 -0.62 -1.94 0.99 -1.12 119.30 118.34 1m9l s MET 122 Ca 0.01 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 1m9l s MET 122 Cb -0.17 -0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.43 1m9l s MET 122 CO -0.02 0.06 0.00 0.45 -0.01 0.00 0.00 175.02 175.50 1m9l n SER 123 N 2.59 0.55 -3.66 3.03 2.88 -0.38 -1.45 113.62 117.18 1m9l n SER 123 Ca -0.15 -0.04 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 1m9l n SER 123 Cb 0.58 0.19 -0.15 0.00 -0.75 0.00 0.00 64.21 64.08 1m9l n SER 123 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1m9l s ASN 124 N -0.30 0.67 0.25 -3.46 0.01 -0.29 0.08 114.94 111.90 1m9l s ASN 124 Ca 0.00 0.38 -0.22 0.00 -0.71 0.00 0.00 52.86 52.31 1m9l s ASN 124 Cb 0.00 0.41 0.03 0.00 0.41 0.00 0.00 41.25 42.11 1m9l s ASN 124 CO 0.00 -0.25 0.72 0.54 -1.51 0.00 0.00 177.10 176.60 1m9l s ASN 125 N 2.34 -0.31 -0.31 -1.22 2.20 0.17 -1.35 114.94 116.46 1m9l s ASN 125 Ca 0.03 -0.48 0.01 0.00 -0.94 0.00 0.00 52.86 51.48 1m9l s ASN 125 Cb -0.12 0.69 0.07 0.00 -2.00 0.00 0.00 41.25 39.88 1m9l s ASN 125 CO -0.07 -1.24 -0.01 -0.54 -2.94 0.00 0.00 177.10 172.30 1m9l s LYS 126 N -3.84 2.12 -0.23 3.55 -0.14 -0.29 -3.94 119.74 116.97 1m9l s LYS 126 Ca 0.09 -1.48 -0.15 0.00 -1.36 0.00 0.00 55.97 53.07 1m9l s LYS 126 Cb -0.05 -3.13 0.07 0.00 -1.68 0.00 0.00 37.83 33.04 1m9l s LYS 126 CO 0.03 -0.72 0.58 0.42 -0.76 0.00 0.00 175.35 174.90 1m9l s ILE 127 N 1.11 -0.01 0.00 2.17 1.01 -1.26 -1.58 121.20 122.64 1m9l s ILE 127 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1m9l s ILE 127 Cb -0.20 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1m9l s ILE 127 CO -0.04 0.01 0.00 0.35 0.00 0.00 0.00 174.94 175.26 1m9l n THR 128 N 3.98 0.00 -1.40 2.92 -2.24 -1.26 -1.57 114.28 114.72 1m9l n THR 128 Ca -0.20 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 1m9l n THR 128 Cb 0.57 1.46 -0.04 0.00 -2.10 0.00 0.00 70.33 70.22 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 0.00 8.17 -0.32 3.42 3.02 -1.26 -4.70 115.26 123.59 1m9l n ASN 129 Ca 0.00 -2.68 0.10 0.00 -0.03 0.00 0.00 54.58 51.97 1m9l n ASN 129 Cb 0.12 -1.50 0.31 0.00 -0.61 0.00 0.00 39.78 38.10 1m9l n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1m9l h TRP 130 N 4.63 1.00 -0.85 3.10 7.01 -1.93 0.28 115.95 129.19 1m9l h TRP 130 Ca 0.75 0.03 0.20 0.00 2.11 0.00 0.00 58.89 61.98 1m9l h TRP 130 Cb 0.44 -0.31 -0.15 0.00 -2.10 0.00 0.00 29.16 27.04 1m9l h TRP 130 CO 1.82 0.37 -0.03 0.78 -2.79 0.00 0.00 178.44 178.59 1m9l h GLY 131 N 0.84 0.93 0.00 2.65 0.00 -2.02 -1.55 103.07 103.94 1m9l h GLY 131 Ca 0.48 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1m9l h GLY 131 CO -0.25 -0.36 0.00 1.18 0.00 0.00 0.00 176.54 177.11 1m9l n GLU 132 N -5.43 0.00 -0.26 4.80 1.02 -0.83 -4.74 120.64 115.21 1m9l n GLU 132 Ca 0.16 0.01 0.25 0.00 -0.02 0.00 0.00 57.16 57.57 1m9l n GLU 132 Cb 0.56 -0.50 0.46 0.00 -0.02 0.00 0.00 31.44 31.93 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 -2.46 -0.34 -0.16 -3.67 5.41 0.94 -1.53 119.36 117.55 1m9l n ILE 133 Ca 0.00 1.63 -0.04 0.00 1.00 0.00 0.00 62.75 65.34 1m9l n ILE 133 Cb 0.00 -2.64 0.03 0.00 -0.71 0.00 0.00 39.64 36.32 1m9l n ILE 133 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1m9l h ASP 134 N 0.00 -0.68 0.00 4.38 3.58 -1.44 -1.34 116.42 120.92 1m9l h ASP 134 Ca 0.67 0.17 -0.24 0.00 0.42 0.00 0.00 57.03 58.05 1m9l h ASP 134 Cb 1.76 0.39 -0.04 0.00 1.72 0.00 0.00 39.33 43.17 1m9l h ASP 134 CO -0.62 -0.23 -1.42 0.29 -2.88 0.00 0.00 179.24 174.38 1m9l n LYS 135 N -5.40 0.55 -0.60 0.28 5.02 -1.02 -4.47 118.16 112.53 1m9l n LYS 135 Ca 0.04 0.49 0.48 0.00 -2.02 0.00 0.00 58.31 57.31 1m9l n LYS 135 Cb 0.30 -1.68 0.81 0.00 -0.02 0.00 0.00 35.03 34.45 1m9l n LYS 135 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1m9l h LEU 136 N -1.00 0.00 0.00 -0.35 5.85 -1.25 0.07 115.31 118.64 1m9l h LEU 136 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1m9l h LEU 136 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1m9l h LEU 136 CO -0.22 -0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.88 1m9l n ALA 137 N -2.88 1.85 -3.14 1.25 0.00 -0.51 -4.71 120.51 112.37 1m9l n ALA 137 Ca 0.39 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 1m9l n ALA 137 Cb 1.80 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.55 -1.40 0.36 0.00 0.00 -0.06 -3.11 120.51 115.75 1m9l n ALA 138 Ca 0.01 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1m9l n ALA 138 Cb 0.00 -2.53 -0.09 0.00 0.00 0.00 0.00 19.45 16.83 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 -1.59 -0.76 -0.98 0.00 5.85 -1.61 -1.49 115.31 114.74 1m9l h LEU 139 Ca -0.44 0.01 0.28 0.00 0.84 0.00 0.00 57.88 58.56 1m9l h LEU 139 Cb 1.26 0.20 -0.14 0.00 0.37 0.00 0.00 40.66 42.35 1m9l h LEU 139 CO 0.39 -0.50 0.52 -0.78 -0.34 0.00 0.00 178.44 177.72 1m9l h ASP 140 N -0.95 0.48 0.00 1.25 1.82 -1.92 -3.20 116.42 113.90 1m9l h ASP 140 Ca -0.09 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1m9l h ASP 140 Cb 0.70 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.83 1m9l h ASP 140 CO 0.15 -0.05 0.00 1.17 -1.61 0.00 0.00 179.24 178.90 1m9l n LYS 141 N -5.02 0.00 -0.05 0.28 4.81 -1.14 -2.98 118.16 114.06 1m9l n LYS 141 Ca 0.28 0.31 -0.02 0.00 -0.87 0.00 0.00 58.31 58.01 1m9l n LYS 141 Cb 0.83 -0.82 -0.00 0.00 0.02 0.00 0.00 35.03 35.06 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 -1.42 -0.04 -0.08 3.14 0.00 -0.57 -1.36 117.00 116.67 1m9l n LEU 142 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 56.01 55.98 1m9l n LEU 142 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 43.42 43.36 1m9l n LEU 142 CO 0.00 -0.10 -0.49 -0.62 0.00 0.00 0.00 177.39 176.18 1m9l n GLU 143 N 0.04 0.48 -3.96 1.96 1.02 -1.26 -3.40 120.64 115.52 1m9l n GLU 143 Ca 0.01 0.40 -0.32 0.00 -0.02 0.00 0.00 57.16 57.23 1m9l n GLU 143 Cb 0.01 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 29.70 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 -5.84 4.74 -0.39 1.62 1.11 -0.68 -1.16 116.67 116.09 1m9l s ASP 144 Ca -0.21 -2.37 0.01 0.00 0.18 0.00 0.00 52.55 50.16 1m9l s ASP 144 Cb 0.03 -1.67 0.11 0.00 1.07 0.00 0.00 42.92 42.46 1m9l s ASP 144 CO 0.31 -0.36 0.14 -1.48 1.18 0.00 0.00 175.17 174.96 1m9l s LEU 145 N 0.61 4.99 -0.28 1.23 2.34 -0.67 -1.55 118.68 125.34 1m9l s LEU 145 Ca 0.12 -2.16 -0.11 0.00 0.06 0.00 0.00 54.13 52.04 1m9l s LEU 145 Cb -0.21 -1.73 -0.05 0.00 -0.56 0.00 0.00 46.19 43.64 1m9l s LEU 145 CO -0.06 -0.45 0.20 -0.22 -1.06 0.00 0.00 176.35 174.77 1m9l s LEU 146 N 0.93 4.04 -0.42 1.48 2.96 -0.10 -0.28 118.68 127.30 1m9l s LEU 146 Ca 0.10 -0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.09 1m9l s LEU 146 Cb -0.21 -2.14 0.35 0.00 0.50 0.00 0.00 46.19 44.69 1m9l s LEU 146 CO -0.06 -0.07 1.10 0.00 -1.32 0.00 0.00 176.35 176.01 1m9l n LEU 147 N 5.08 -1.45 -0.25 -0.68 -0.00 -0.70 -0.01 117.00 119.00 1m9l n LEU 147 Ca -0.14 -3.86 0.04 0.00 -0.00 0.00 0.00 56.01 52.06 1m9l n LEU 147 Cb 0.52 0.64 0.17 0.00 -0.00 0.00 0.00 43.42 44.75 1m9l n LEU 147 CO 0.33 2.03 1.01 0.00 -0.00 0.00 0.00 177.39 180.76 1m9l h ALA 148 N 2.75 1.02 -3.15 1.47 0.00 -1.44 -3.41 119.26 116.50 1m9l h ALA 148 Ca -0.11 0.11 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1m9l h ALA 148 Cb 1.13 0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 1m9l h ALA 148 CO 0.17 -0.21 -0.77 0.20 0.00 0.00 0.00 179.25 178.64 1m9l s GLY 149 N -3.40 1.53 0.00 0.00 0.00 0.11 -4.80 107.32 100.77 1m9l s GLY 149 Ca -0.12 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1m9l s GLY 149 CO 0.76 0.12 0.00 1.16 0.00 0.00 0.00 173.10 175.14 1m9l n ASN 150 N 4.20 0.00 -0.32 1.64 0.23 -1.25 0.41 115.26 120.17 1m9l n ASN 150 Ca -0.19 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 53.96 1m9l n ASN 150 Cb 0.52 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.42 1m9l n ASN 150 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1m9l n PRO 151 N -0.48 -0.08 0.02 -0.53 -0.02 -1.22 -0.91 135.00 131.79 1m9l n PRO 151 Ca 0.00 1.39 -0.10 0.00 -2.02 0.00 0.00 63.50 62.77 1m9l n PRO 151 Cb 0.00 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 1m9l n PRO 151 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1m9l h LEU 152 N 0.00 -1.10 -0.23 2.45 3.38 -1.57 0.10 115.31 118.34 1m9l h LEU 152 Ca 0.50 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.63 1m9l h LEU 152 Cb 0.91 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 1m9l h LEU 152 CO -0.90 -0.33 -0.01 0.22 0.09 0.00 0.00 178.44 177.51 1m9l h TYR 153 N -0.42 -0.04 -0.26 1.13 5.03 -1.35 -0.78 116.97 120.28 1m9l h TYR 153 Ca 0.01 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.42 1m9l h TYR 153 Cb 0.46 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 1m9l h TYR 153 CO -0.49 -0.05 0.21 -0.91 -1.32 0.00 0.00 178.16 175.60 1m9l h ASN 154 N 0.05 0.00 0.02 -2.11 4.21 -0.87 0.86 115.58 117.74 1m9l h ASN 154 Ca 0.11 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.62 1m9l h ASN 154 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1m9l h ASN 154 CO -0.19 0.00 -0.01 0.44 -1.29 0.00 0.00 177.43 176.38 1m9l h ASP 155 N 0.00 -0.02 0.00 5.81 5.19 0.62 -2.70 116.42 125.32 1m9l h ASP 155 Ca 0.12 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1m9l h ASP 155 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1m9l h ASP 155 CO -0.00 0.61 0.06 0.22 -3.12 0.00 0.00 179.24 177.01 1m9l h TYR 156 N -0.66 0.00 -1.20 4.55 3.20 -0.35 -3.46 116.97 119.05 1m9l h TYR 156 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1m9l h TYR 156 Cb 0.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1m9l h TYR 156 CO 0.14 0.00 0.00 1.17 -1.64 0.00 0.00 178.16 177.83 1m9l n LYS 157 N -2.90 0.00 0.00 1.82 3.00 0.18 -4.22 118.16 116.04 1m9l n LYS 157 Ca -0.03 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1m9l n LYS 157 Cb 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 34.61 1m9l n LYS 157 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1m9l n GLU 158 N -0.14 0.00 -1.17 1.64 -0.00 -1.17 -1.20 120.64 118.61 1m9l n GLU 158 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 57.16 57.19 1m9l n GLU 158 Cb 0.00 -1.80 0.00 0.00 -0.00 0.00 0.00 31.44 29.64 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 -0.85 0.47 0.00 -1.84 2.85 -1.26 -4.78 115.26 109.85 1m9l n ASN 159 Ca 0.00 -1.95 0.00 0.00 -0.11 0.00 0.00 54.58 52.52 1m9l n ASN 159 Cb 0.30 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.13 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 0.30 0.00 -0.88 1.20 5.15 -0.34 -4.90 115.26 115.78 1m9l n ASN 160 Ca -0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 1m9l n ASN 160 Cb 0.96 0.05 0.13 0.00 -0.53 0.00 0.00 39.78 40.39 1m9l n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1m9l n ALA 161 N -1.87 2.43 0.26 5.20 0.00 -0.86 -4.60 120.51 121.07 1m9l n ALA 161 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 1m9l n ALA 161 Cb 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 3.91 0.36 -0.75 0.00 2.02 -1.87 0.43 112.91 117.01 1m9l h THR 162 Ca 0.00 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1m9l h THR 162 Cb 0.86 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1m9l h THR 162 CO 0.00 0.05 0.49 -1.28 0.37 0.00 0.00 175.52 175.16 1m9l h SER 163 N -0.98 0.76 -0.55 4.18 0.87 -1.82 -0.92 113.55 115.09 1m9l h SER 163 Ca -0.07 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1m9l h SER 163 Cb 0.61 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1m9l h SER 163 CO 0.11 0.52 0.21 -0.08 -0.53 0.00 0.00 176.83 177.06 1m9l h GLU 164 N 0.88 0.83 0.09 2.24 4.22 -1.79 -1.27 114.58 119.78 1m9l h GLU 164 Ca 0.30 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 59.60 1m9l h GLU 164 Cb 0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1m9l h GLU 164 CO -0.09 0.73 -0.16 1.88 -2.18 0.00 0.00 179.01 179.18 1m9l h TYR 165 N 0.75 -0.42 0.25 0.92 0.05 0.43 -0.20 116.97 118.76 1m9l h TYR 165 Ca 0.18 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 1m9l h TYR 165 Cb 0.21 0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1m9l h TYR 165 CO 0.01 -0.24 -0.12 -0.09 -1.05 0.00 0.00 178.16 176.67 1m9l h ARG 166 N -0.31 -0.32 -0.94 4.88 1.12 -1.18 -0.43 114.38 117.20 1m9l h ARG 166 Ca 0.03 0.02 0.21 0.00 -1.11 0.00 0.00 59.98 59.13 1m9l h ARG 166 Cb 0.33 0.07 -0.12 0.00 -0.01 0.00 0.00 29.97 30.25 1m9l h ARG 166 CO -0.09 -0.12 0.50 0.82 -3.11 0.00 0.00 179.97 177.96 1m9l h ILE 167 N -0.46 0.56 -0.15 1.20 2.04 -1.18 0.18 117.51 119.70 1m9l h ILE 167 Ca -0.03 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1m9l h ILE 167 Cb 0.35 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1m9l h ILE 167 CO 0.06 0.10 -0.54 -0.08 0.00 0.00 0.00 178.15 177.68 1m9l h GLU 168 N 0.54 0.43 0.28 2.37 4.57 -0.78 -0.91 114.58 121.08 1m9l h GLU 168 Ca 0.58 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1m9l h GLU 168 Cb 1.04 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1m9l h GLU 168 CO -0.47 0.86 -0.13 0.28 -1.18 0.00 0.00 179.01 178.37 1m9l h VAL 169 N 0.33 0.00 -0.20 0.32 2.07 0.10 0.12 116.25 119.00 1m9l h VAL 169 Ca 0.01 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1m9l h VAL 169 Cb 1.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1m9l h VAL 169 CO 0.09 0.00 -0.17 1.62 0.02 0.00 0.00 177.57 179.13 1m9l h VAL 170 N -0.40 0.53 -0.07 2.57 3.04 -1.31 0.64 116.25 121.25 1m9l h VAL 170 Ca -0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 1m9l h VAL 170 Cb 0.28 0.53 -0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1m9l h VAL 170 CO 0.06 0.00 0.01 0.50 -1.01 0.00 0.00 177.57 177.13 1m9l h LYS 171 N -0.19 0.11 0.00 4.17 3.64 -1.23 -3.39 116.57 119.67 1m9l h LYS 171 Ca 0.12 -0.03 -0.36 0.00 -1.27 0.00 0.00 60.65 59.12 1m9l h LYS 171 Cb 0.36 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 1m9l h LYS 171 CO -0.31 0.33 -2.35 -2.13 -2.27 0.00 0.00 179.45 172.72 1m9l n ARG 172 N -4.90 0.69 -3.70 1.90 0.63 0.40 -5.03 116.66 106.66 1m9l n ARG 172 Ca -0.07 0.10 -0.36 0.00 -0.92 0.00 0.00 57.85 56.60 1m9l n ARG 172 Cb 0.16 -1.48 -0.06 0.00 0.45 0.00 0.00 32.46 31.53 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 -6.13 4.40 -0.13 6.15 1.43 0.21 -5.02 118.68 119.58 1m9l s LEU 173 Ca -0.26 0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1m9l s LEU 173 Cb 0.08 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 1m9l s LEU 173 CO 0.61 0.30 0.12 1.55 0.23 0.00 0.00 176.35 179.16 1m9l h PRO 174 N 4.38 0.00 0.00 1.29 0.13 -1.89 -3.41 132.00 132.50 1m9l h PRO 174 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.63 0.31 0.00 0.09 -0.23 0.00 0.00 178.00 178.80 1m9l n ASN 175 N -4.66 0.00 0.00 1.44 4.13 -1.26 -4.87 115.26 110.04 1m9l n ASN 175 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1m9l n ASN 175 Cb 0.25 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 1m9l n ASN 175 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1m9l n LEU 176 N 0.00 0.00 -0.07 3.41 7.94 -0.46 -4.93 117.00 122.89 1m9l n LEU 176 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1m9l n LEU 176 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1m9l n LEU 176 CO 0.00 0.00 -0.96 0.29 -1.11 0.00 0.00 177.39 175.61 1m9l n LYS 177 N 0.00 0.28 -3.53 1.96 5.02 -1.22 -4.76 118.16 115.92 1m9l n LYS 177 Ca 0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 1m9l n LYS 177 Cb 0.00 -0.99 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.24 2.68 -0.77 1.97 -0.14 -0.30 -4.83 119.74 116.10 1m9l s LYS 178 Ca -0.19 -1.52 -0.05 0.00 -1.36 0.00 0.00 55.97 52.85 1m9l s LYS 178 Cb 0.07 -3.91 0.20 0.00 -1.68 0.00 0.00 37.83 32.50 1m9l s LYS 178 CO 0.24 -1.04 0.64 -1.17 -0.76 0.00 0.00 175.35 173.26 1m9l s LEU 179 N 1.46 5.71 0.00 3.17 2.96 -1.26 -1.67 118.68 129.05 1m9l s LEU 179 Ca 0.04 -3.11 0.00 0.00 -0.22 0.00 0.00 54.13 50.84 1m9l s LEU 179 Cb -0.24 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1m9l s LEU 179 CO 0.02 -0.35 0.00 -0.67 -1.32 0.00 0.00 176.35 174.03 1m9l n ASP 180 N 3.21 0.00 0.00 3.68 2.03 0.62 -4.63 116.55 121.46 1m9l n ASP 180 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1m9l n ASP 180 Cb 0.40 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.02 0.04 0.27 0.00 -1.26 -4.39 105.19 97.82 1m9l n GLY 181 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.02 -0.27 1.61 0.00 -1.26 -1.68 117.12 115.50 1m9l n MET 182 Ca 0.00 0.15 0.24 0.00 0.00 0.00 0.00 57.70 58.09 1m9l n MET 182 Cb 0.00 -0.22 0.42 0.00 0.00 0.00 0.00 33.22 33.42 1m9l n MET 182 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1m9l n PRO 183 N -4.15 -0.03 -0.02 2.12 -0.01 -1.26 -2.98 135.00 128.67 1m9l n PRO 183 Ca 0.01 0.86 -0.01 0.00 -0.01 0.00 0.00 63.50 64.35 1m9l n PRO 183 Cb 0.04 -1.62 -0.01 0.00 -0.01 0.00 0.00 33.50 31.91 1m9l n PRO 183 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1m9l n VAL 184 N -4.20 -0.04 -1.29 -1.45 0.24 -0.68 -4.53 118.33 106.38 1m9l n VAL 184 Ca 0.26 0.86 0.00 0.00 -2.04 0.00 0.00 64.34 63.42 1m9l n VAL 184 Cb 0.95 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 1m9l n VAL 184 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1m9l n ASP 185 N -2.77 -0.23 0.00 -1.34 8.00 -1.16 -0.81 116.55 118.25 1m9l n ASP 185 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1m9l n ASP 185 Cb 0.01 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 -1.29 0.00 0.05 2.53 3.14 -1.26 -4.89 118.33 116.61 1m9l n VAL 186 Ca 0.00 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.23 1m9l n VAL 186 Cb 0.11 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.76 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 0.29 -0.08 6.55 3.58 -1.26 -3.31 116.42 122.18 1m9l h ASP 187 Ca 0.00 -0.41 0.02 0.00 0.42 0.00 0.00 57.03 57.06 1m9l h ASP 187 Cb 0.00 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 1m9l h ASP 187 CO 0.00 1.35 0.13 -0.33 -2.88 0.00 0.00 179.24 177.51 1m9l h GLU 188 N 0.05 0.00 -0.09 0.28 4.39 -1.75 0.31 114.58 117.78 1m9l h GLU 188 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1m9l h GLU 188 Cb 1.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1m9l h GLU 188 CO 0.14 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.53 1m9l n ARG 189 N -3.49 1.85 0.03 2.33 5.12 -1.25 -2.65 116.66 118.61 1m9l n ARG 189 Ca -0.01 -1.26 0.00 0.00 -1.93 0.00 0.00 57.85 54.65 1m9l n ARG 189 Cb 0.22 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 0.50 0.00 0.20 5.56 1.02 0.59 -4.46 120.64 124.05 1m9l n GLU 190 Ca 0.17 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1m9l n GLU 190 Cb 0.41 -0.24 -0.07 0.00 -0.02 0.00 0.00 31.44 31.52 1m9l n GLU 190 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1m9l h GLN 191 N 0.00 -0.53 0.00 3.49 -0.00 -0.78 -1.20 115.11 116.09 1m9l h GLN 191 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.68 1m9l h GLN 191 Cb 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 1m9l h GLN 191 CO 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 178.83 178.58 1m9l h ALA 192 N -0.69 1.36 0.14 3.38 0.00 -1.60 0.11 119.26 121.96 1m9l h ALA 192 Ca -0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1m9l h ALA 192 Cb 0.55 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1m9l h ALA 192 CO 0.09 0.03 -0.89 -0.97 0.00 0.00 0.00 179.25 177.51 1m9l h ASN 193 N 0.00 0.54 -0.27 0.00 -1.24 -1.46 -0.73 115.58 112.43 1m9l h ASN 193 Ca -0.00 -0.92 -0.14 0.00 0.71 0.00 0.00 56.30 55.95 1m9l h ASN 193 Cb 0.09 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1m9l h ASN 193 CO 0.00 1.42 -0.33 0.58 -1.29 0.00 0.00 177.43 177.82 1m9l h VAL 194 N -0.25 1.28 -0.42 2.57 2.07 -0.72 0.17 116.25 120.96 1m9l h VAL 194 Ca -0.15 -1.48 -0.12 0.00 0.82 0.00 0.00 66.70 65.77 1m9l h VAL 194 Cb 1.68 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1m9l h VAL 194 CO 0.17 0.49 -0.20 0.00 0.02 0.00 0.00 177.57 178.05 1m9l h ALA 195 N 0.96 0.59 -0.02 1.67 0.00 -0.86 -2.93 119.26 118.67 1m9l h ALA 195 Ca 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1m9l h ALA 195 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1m9l h ALA 195 CO 0.08 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1m9l h ARG 196 N 0.69 -0.03 0.00 0.00 3.08 -0.99 -3.45 114.38 113.68 1m9l h ARG 196 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1m9l h ARG 196 Cb 0.76 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1m9l h ARG 196 CO 0.06 -0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1m9l n GLY 197 N -1.13 0.00 0.67 0.04 0.00 -0.64 -5.09 105.19 99.05 1m9l n GLY 197 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93