#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h17 s GLY 3 N 0.00 -0.24 -0.01 0.00 0.00 -1.26 -5.11 107.32 100.71 3h17 s GLY 3 Ca 0.00 -0.04 0.17 0.00 0.00 0.00 0.00 44.72 44.85 3h17 s GLY 3 CO 0.00 -0.16 0.55 -1.55 0.00 0.00 0.00 173.10 171.94 3h17 n PRO 4 N -0.35 0.98 -0.10 2.90 -0.04 -1.26 -4.05 135.00 133.08 3h17 n PRO 4 Ca -0.12 -0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 3h17 n PRO 4 Cb 0.63 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 3h17 n PRO 4 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h17 h GLU 5 N 0.00 0.89 0.00 0.54 3.07 -1.99 -1.59 114.58 115.50 3h17 h GLU 5 Ca 0.00 -0.49 -0.07 0.00 -0.50 0.00 0.00 59.36 58.31 3h17 h GLU 5 Cb 0.60 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3h17 h GLU 5 CO 0.00 1.13 -0.32 -0.84 -1.40 0.00 0.00 179.01 177.59 3h17 h ILE 6 N 0.72 0.80 0.11 3.13 3.07 -1.93 -1.99 117.51 121.42 3h17 h ILE 6 Ca 0.05 -1.32 -0.01 0.00 1.55 0.00 0.00 64.86 65.14 3h17 h ILE 6 Cb 1.01 1.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 3h17 h ILE 6 CO 0.10 0.31 -0.06 0.58 -1.05 0.00 0.00 178.15 178.03 3h17 h VAL 7 N 0.00 0.98 -0.48 0.16 2.07 -1.65 0.73 116.25 118.07 3h17 h VAL 7 Ca -0.00 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3h17 h VAL 7 Cb 0.79 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3h17 h VAL 7 CO 0.04 0.09 0.32 0.50 0.02 0.00 0.00 177.57 178.54 3h17 h LYS 8 N -0.32 0.57 0.05 1.57 1.63 -1.07 -2.45 116.57 116.55 3h17 h LYS 8 Ca -0.02 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 59.46 3h17 h LYS 8 Cb 0.26 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3h17 h LYS 8 CO 0.03 0.37 -1.52 1.25 -3.45 0.00 0.00 179.45 176.13 3h17 h LEU 9 N 0.58 0.18 -0.93 5.20 5.85 -1.10 -2.00 115.31 123.09 3h17 h LEU 9 Ca 0.19 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3h17 h LEU 9 Cb 0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3h17 h LEU 9 CO -0.05 1.24 0.40 0.11 -0.34 0.00 0.00 178.44 179.80 3h17 h LYS 10 N 0.03 1.16 -0.41 1.25 1.57 0.58 -1.73 116.57 119.03 3h17 h LYS 10 Ca -0.23 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3h17 h LYS 10 Cb 1.97 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 3h17 h LYS 10 CO 0.12 0.88 0.25 -0.22 -0.57 0.00 0.00 179.45 179.91 3h17 h LYS 11 N 1.15 0.55 -0.70 3.15 3.64 -1.30 -0.82 116.57 122.25 3h17 h LYS 11 Ca 0.28 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 3h17 h LYS 11 Cb 0.10 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3h17 h LYS 11 CO -0.04 0.41 0.43 0.82 -2.27 0.00 0.00 179.45 178.80 3h17 h ILE 12 N 0.53 1.07 0.02 2.00 1.08 -1.19 -1.78 117.51 119.24 3h17 h ILE 12 Ca 0.15 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3h17 h ILE 12 Cb -0.00 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 3h17 h ILE 12 CO -0.03 0.15 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.51 3h17 h LEU 13 N 0.83 -0.02 -0.57 1.44 3.38 -0.76 -2.66 115.31 116.95 3h17 h LEU 13 Ca 0.29 -0.76 0.07 0.00 0.09 0.00 0.00 57.88 57.56 3h17 h LEU 13 Cb 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3h17 h LEU 13 CO -0.12 0.80 -0.28 0.54 0.09 0.00 0.00 178.44 179.47 3h17 n ARG 14 N -4.70 -0.19 0.26 1.13 1.74 -0.36 -1.18 116.66 113.36 3h17 n ARG 14 Ca -0.09 0.87 0.14 0.00 -0.77 0.00 0.00 57.85 58.00 3h17 n ARG 14 Cb 0.38 -1.28 0.68 0.00 -1.02 0.00 0.00 32.46 31.22 3h17 n ARG 14 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 3h17 h GLU 15 N 0.00 0.00 0.00 5.56 4.11 -1.08 -3.24 114.58 119.92 3h17 h GLU 15 Ca 0.15 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.40 3h17 h GLU 15 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3h17 h GLU 15 CO -0.55 0.12 -1.76 1.63 0.07 0.00 0.00 179.01 178.52 3h17 n LYS 16 N -3.42 0.65 -0.89 1.06 5.02 -0.88 -4.97 118.16 114.73 3h17 n LYS 16 Ca -0.01 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 3h17 n LYS 16 Cb 0.29 -1.68 0.13 0.00 -0.02 0.00 0.00 35.03 33.75 3h17 n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h17 n ALA 17 N -2.45 -1.42 -1.86 7.82 0.00 -0.32 -5.03 120.51 117.25 3h17 n ALA 17 Ca -0.14 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.51 3h17 n ALA 17 Cb 0.85 -2.01 0.21 0.00 0.00 0.00 0.00 19.45 18.50 3h17 n ALA 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h17 s VAL 18 N -2.34 1.96 1.17 0.00 -7.23 -1.26 -5.03 120.40 107.66 3h17 s VAL 18 Ca 0.64 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.64 3h17 s VAL 18 Cb -0.25 -2.96 0.19 0.00 0.56 0.00 0.00 36.38 33.93 3h17 s VAL 18 CO 0.60 0.00 0.36 -2.65 -0.31 0.00 0.00 175.10 173.10 3h17 n PRO 19 N -3.95 -2.34 -1.35 4.82 -0.02 -1.26 -4.98 135.00 125.93 3h17 n PRO 19 Ca 0.17 -0.67 -0.58 0.00 -2.02 0.00 0.00 63.50 60.39 3h17 n PRO 19 Cb 0.59 -1.78 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 3h17 n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3h17 n PRO 20 N -3.10 0.28 -2.89 0.52 -0.02 -1.26 -3.93 135.00 124.60 3h17 n PRO 20 Ca 0.03 0.08 -0.22 0.00 -2.02 0.00 0.00 63.50 61.37 3h17 n PRO 20 Cb 0.56 -1.73 0.02 0.00 -0.02 0.00 0.00 33.50 32.33 3h17 n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h17 n GLY 21 N 6.92 -0.51 3.86 -1.23 0.00 -1.26 -5.01 105.19 107.95 3h17 n GLY 21 Ca 0.49 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 3h17 n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h17 s THR 22 N -3.10 4.51 -0.45 2.61 -4.23 -1.25 -5.02 115.64 108.70 3h17 s THR 22 Ca 0.23 0.81 0.04 0.00 -1.18 0.00 0.00 61.69 61.59 3h17 s THR 22 Cb -0.11 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.11 3h17 s THR 22 CO 0.28 -1.06 0.18 -0.70 -0.54 0.00 0.00 174.62 172.78 3h17 s GLU 23 N -5.15 1.79 -0.17 3.99 -6.30 -1.26 -5.02 118.70 106.58 3h17 s GLU 23 Ca 0.56 -2.35 -0.18 0.00 -2.50 0.00 0.00 54.97 50.50 3h17 s GLU 23 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 34.13 30.70 3h17 s GLU 23 CO 0.54 -1.05 0.49 0.08 0.02 0.00 0.00 175.26 175.34 3h17 s VAL 24 N 0.15 5.15 0.81 3.70 1.01 -1.26 -5.04 120.40 124.92 3h17 s VAL 24 Ca 0.15 0.92 -0.15 0.00 0.00 0.00 0.00 61.98 62.89 3h17 s VAL 24 Cb -0.23 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3h17 s VAL 24 CO -0.03 0.24 0.30 -2.65 0.00 0.00 0.00 175.10 172.96 3h17 n PRO 25 N 4.32 0.07 -0.07 2.72 -0.02 -1.26 -4.75 135.00 136.01 3h17 n PRO 25 Ca -0.06 0.06 -0.16 0.00 -2.02 0.00 0.00 63.50 61.33 3h17 n PRO 25 Cb 0.51 -1.69 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 3h17 n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3h17 h LEU 26 N -0.77 0.98 -0.70 2.45 6.46 -1.99 -0.69 115.31 121.05 3h17 h LEU 26 Ca -0.44 -0.56 -0.10 0.00 -0.12 0.00 0.00 57.88 56.66 3h17 h LEU 26 Cb 1.33 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 3h17 h LEU 26 CO 0.38 1.36 -0.48 -2.24 -0.62 0.00 0.00 178.44 176.83 3h17 h ASP 27 N 0.64 0.00 -0.36 1.25 2.03 -1.99 -2.11 116.42 115.89 3h17 h ASP 27 Ca -0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 3h17 h ASP 27 Cb 1.22 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 3h17 h ASP 27 CO 0.13 0.48 -0.07 0.58 -1.03 0.00 0.00 179.24 179.34 3h17 h VAL 28 N 0.00 1.27 -0.62 4.15 2.07 -1.90 -1.85 116.25 119.38 3h17 h VAL 28 Ca -0.00 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.42 3h17 h VAL 28 Cb 1.07 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3h17 h VAL 28 CO 0.06 0.37 0.38 0.24 0.02 0.00 0.00 177.57 178.65 3h17 h MET 29 N 0.49 0.73 -0.78 1.57 2.86 -1.03 -2.33 114.93 116.43 3h17 h MET 29 Ca 0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3h17 h MET 29 Cb 0.57 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3h17 h MET 29 CO 0.03 0.49 0.38 0.00 1.06 0.00 0.00 176.91 178.87 3h17 h ARG 30 N 0.76 1.12 0.20 1.72 3.08 -1.10 -2.32 114.38 117.84 3h17 h ARG 30 Ca 0.25 -0.16 -0.30 0.00 0.07 0.00 0.00 59.98 59.85 3h17 h ARG 30 Cb 0.02 -0.21 0.03 0.00 0.08 0.00 0.00 29.97 29.90 3h17 h ARG 30 CO -0.10 0.86 -1.29 0.87 -1.07 0.00 0.00 179.97 179.24 3h17 h LYS 31 N 1.11 0.53 -0.78 0.04 1.57 -1.34 -2.38 116.57 115.32 3h17 h LYS 31 Ca 0.27 -0.83 0.07 0.00 -1.87 0.00 0.00 60.65 58.29 3h17 h LYS 31 Cb 0.10 0.30 -0.09 0.00 0.08 0.00 0.00 32.23 32.62 3h17 h LYS 31 CO -0.04 1.39 -0.46 0.41 -0.57 0.00 0.00 179.45 180.18 3h17 n GLY 32 N 1.60 -2.28 0.28 3.86 0.00 -0.88 0.25 105.19 108.02 3h17 n GLY 32 Ca -0.15 0.98 -0.02 0.00 0.00 0.00 0.00 46.02 46.82 3h17 n GLY 32 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3h17 h MET 33 N 0.00 0.63 -0.14 1.61 2.86 -1.29 -0.73 114.93 117.87 3h17 h MET 33 Ca 0.13 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3h17 h MET 33 Cb 0.32 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3h17 h MET 33 CO -0.74 0.66 -0.31 0.93 1.06 0.00 0.00 176.91 178.51 3h17 h GLU 34 N 0.60 0.46 -0.17 1.72 4.39 -0.56 -2.95 114.58 118.07 3h17 h GLU 34 Ca 0.12 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 3h17 h GLU 34 Cb 0.38 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3h17 h GLU 34 CO 0.01 0.91 -0.20 1.57 -1.16 0.00 0.00 179.01 180.15 3h17 h LYS 35 N 0.08 0.30 -0.53 2.33 2.10 0.39 -2.97 116.57 118.27 3h17 h LYS 35 Ca 0.00 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 58.48 3h17 h LYS 35 Cb 0.90 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 32.15 3h17 h LYS 35 CO 0.07 0.49 0.09 1.33 -2.00 0.00 0.00 179.45 179.43 3h17 n VAL 36 N -4.19 2.68 -2.61 0.07 0.24 -0.33 -4.96 118.33 109.22 3h17 n VAL 36 Ca -0.01 -1.73 -0.41 0.00 -2.04 0.00 0.00 64.34 60.16 3h17 n VAL 36 Cb 0.33 -0.30 -0.05 0.00 -1.47 0.00 0.00 33.84 32.35 3h17 n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h17 s ALA 37 N -2.91 3.35 0.14 2.33 0.00 -1.12 -4.98 121.76 118.57 3h17 s ALA 37 Ca 0.51 0.73 -0.33 0.00 0.00 0.00 0.00 51.96 52.88 3h17 s ALA 37 Cb 0.40 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 3h17 s ALA 37 CO 0.12 -0.03 1.73 1.19 0.00 0.00 0.00 175.76 178.76 3h17 n PHE 38 N 1.88 2.52 -1.62 0.00 3.72 -1.26 -4.97 117.46 117.73 3h17 n PHE 38 Ca 0.00 0.05 -0.48 0.00 -0.05 0.00 0.00 57.45 56.97 3h17 n PHE 38 Cb 0.47 -2.65 -0.05 0.00 -0.94 0.00 0.00 39.48 36.31 3h17 n PHE 38 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3h17 n LYS 39 N 4.59 1.94 -1.54 -1.08 4.81 -1.26 -4.21 118.16 121.41 3h17 n LYS 39 Ca 0.18 0.66 -0.42 0.00 -0.87 0.00 0.00 58.31 57.85 3h17 n LYS 39 Cb 0.33 -2.74 0.01 0.00 0.02 0.00 0.00 35.03 32.65 3h17 n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h17 n ALA 40 N 8.34 -0.60 -1.74 3.14 0.00 -1.26 -4.85 120.51 123.55 3h17 n ALA 40 Ca 0.28 0.23 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 3h17 n ALA 40 Cb 0.32 -1.94 0.06 0.00 0.00 0.00 0.00 19.45 17.88 3h17 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h17 s ALA 41 N -1.31 2.60 0.45 0.00 0.00 -1.26 -4.84 121.76 117.39 3h17 s ALA 41 Ca 0.63 1.30 0.40 0.00 0.00 0.00 0.00 51.96 54.29 3h17 s ALA 41 Cb -0.60 -3.57 2.07 0.00 0.00 0.00 0.00 23.12 21.02 3h17 s ALA 41 CO 0.57 -1.51 2.22 0.22 0.00 0.00 0.00 175.76 177.26 3h17 h ASP 42 N 0.99 0.00 -0.06 0.00 -0.00 -2.04 -2.60 116.42 112.70 3h17 h ASP 42 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.52 3h17 h ASP 42 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.65 3h17 h ASP 42 CO 0.55 0.00 0.00 -0.90 -0.00 0.00 0.00 179.24 178.89 3h17 n ASP 43 N -3.02 1.21 -4.73 2.28 3.85 -1.26 -4.82 116.55 110.05 3h17 n ASP 43 Ca -0.02 -1.50 -0.38 0.00 -0.71 0.00 0.00 54.79 52.18 3h17 n ASP 43 Cb 0.13 -0.04 -0.06 0.00 -1.35 0.00 0.00 41.12 39.81 3h17 n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3h17 s ILE 44 N -1.93 5.10 0.15 2.12 1.01 -0.98 -4.21 121.20 122.46 3h17 s ILE 44 Ca 0.36 1.09 0.09 0.00 0.00 0.00 0.00 60.65 62.19 3h17 s ILE 44 Cb 0.19 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3h17 s ILE 44 CO 0.30 0.34 -0.13 0.00 0.00 0.00 0.00 174.94 175.45 3h17 s GLN 45 N 0.41 1.95 0.28 2.79 -2.07 0.26 -4.95 119.66 118.34 3h17 s GLN 45 Ca 0.29 -1.21 0.12 0.00 -1.82 0.00 0.00 55.36 52.74 3h17 s GLN 45 Cb -0.16 -2.15 -0.05 0.00 -1.09 0.00 0.00 33.01 29.55 3h17 s GLN 45 CO 0.13 0.46 -0.19 0.08 -1.32 0.00 0.00 175.29 174.46 3h17 s VAL 46 N -1.42 2.50 -0.28 3.63 1.01 -1.26 -0.53 120.40 124.04 3h17 s VAL 46 Ca 0.22 -2.38 -0.07 0.00 0.00 0.00 0.00 61.98 59.75 3h17 s VAL 46 Cb -0.10 -2.34 0.14 0.00 0.00 0.00 0.00 36.38 34.09 3h17 s VAL 46 CO 0.13 -0.39 0.59 -0.70 0.00 0.00 0.00 175.10 174.73 3h17 s GLU 47 N -3.52 0.53 0.40 2.72 2.12 -0.65 -4.94 118.70 115.37 3h17 s GLU 47 Ca 0.30 1.22 -0.23 0.00 0.36 0.00 0.00 54.97 56.62 3h17 s GLU 47 Cb -0.05 0.63 -0.10 0.00 0.26 0.00 0.00 34.13 34.88 3h17 s GLU 47 CO 0.15 -0.35 0.99 -0.65 -0.54 0.00 0.00 175.26 174.86 3h17 s GLN 48 N 2.83 4.23 0.05 4.30 -0.21 -1.26 -1.58 119.66 128.01 3h17 s GLN 48 Ca 0.03 1.33 -0.05 0.00 0.02 0.00 0.00 55.36 56.70 3h17 s GLN 48 Cb -0.13 -2.43 -0.01 0.00 1.00 0.00 0.00 33.01 31.43 3h17 s GLN 48 CO -0.19 -0.05 0.08 0.14 -2.12 0.00 0.00 175.29 173.15 3h17 s VAL 49 N -1.85 0.15 -0.01 1.09 -7.23 -0.71 -4.91 120.40 106.93 3h17 s VAL 49 Ca 0.59 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3h17 s VAL 49 Cb -0.17 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 3h17 s VAL 49 CO 0.21 -0.67 0.11 0.42 -0.31 0.00 0.00 175.10 174.86 3h17 s THR 50 N -2.97 4.97 -0.06 5.32 -4.23 -1.26 -1.14 115.64 116.28 3h17 s THR 50 Ca -0.02 -0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.16 3h17 s THR 50 Cb 0.01 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.61 3h17 s THR 50 CO -0.06 0.36 0.10 -0.69 -0.54 0.00 0.00 174.62 173.79 3h17 s VAL 51 N -1.22 -0.15 -1.39 2.29 1.01 0.21 -4.89 120.40 116.26 3h17 s VAL 51 Ca 0.24 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3h17 s VAL 51 Cb -0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 3h17 s VAL 51 CO 0.15 0.14 0.45 0.00 0.00 0.00 0.00 175.10 175.84 3h17 n ALA 52 N 5.03 -2.04 -0.72 5.51 0.00 -1.26 0.57 120.51 127.59 3h17 n ALA 52 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3h17 n ALA 52 Cb 0.50 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3h17 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h17 n GLY 53 N -1.95 0.28 3.89 0.00 0.00 -1.26 -4.97 105.19 101.19 3h17 n GLY 53 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3h17 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h17 s ALA 55 N -1.15 1.99 0.16 0.00 0.00 -1.26 -0.62 121.76 120.87 3h17 s ALA 55 Ca 0.20 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 3h17 s ALA 55 Cb -0.12 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.68 3h17 s ALA 55 CO 0.10 -2.07 0.84 0.00 0.00 0.00 0.00 175.76 174.64 3h17 s ALA 56 N -2.55 -1.57 0.00 0.00 0.00 -0.29 -1.16 121.76 116.19 3h17 s ALA 56 Ca 0.67 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3h17 s ALA 56 Cb -0.22 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3h17 s ALA 56 CO 0.52 -0.95 -0.04 -1.21 0.00 0.00 0.00 175.76 174.09 3h17 s GLU 57 N -3.47 0.29 -0.17 0.00 2.02 -1.04 -1.74 118.70 114.59 3h17 s GLU 57 Ca 0.09 -0.20 -0.20 0.00 0.02 0.00 0.00 54.97 54.69 3h17 s GLU 57 Cb -0.02 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 33.93 3h17 s GLU 57 CO -0.00 0.06 0.57 -1.58 0.02 0.00 0.00 175.26 174.33 3h17 s TRP 58 N -0.26 3.42 -0.30 1.61 0.23 -0.61 0.03 118.94 123.06 3h17 s TRP 58 Ca -0.01 0.90 0.00 0.00 -2.03 0.00 0.00 56.10 54.97 3h17 s TRP 58 Cb -0.02 -2.71 0.07 0.00 0.03 0.00 0.00 33.47 30.83 3h17 s TRP 58 CO -0.00 -0.06 -0.01 0.08 0.96 0.00 0.00 176.95 177.92 3h17 s VAL 59 N 1.45 2.67 -0.18 4.03 1.01 0.24 -1.63 120.40 127.99 3h17 s VAL 59 Ca 0.27 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.60 3h17 s VAL 59 Cb -0.16 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3h17 s VAL 59 CO 0.11 -0.20 -0.16 -0.13 0.00 0.00 0.00 175.10 174.72 3h17 s ARG 60 N 1.15 3.10 0.66 2.72 0.52 0.32 -0.60 118.95 126.82 3h17 s ARG 60 Ca -0.03 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 3h17 s ARG 60 Cb -0.20 -2.66 0.10 0.00 0.52 0.00 0.00 34.95 32.70 3h17 s ARG 60 CO -0.03 -0.17 0.91 0.00 0.02 0.00 0.00 175.30 176.03 3h17 s ALA 61 N 1.26 3.89 0.50 2.13 0.00 -1.26 0.90 121.76 129.18 3h17 s ALA 61 Ca 0.03 -1.69 -0.22 0.00 0.00 0.00 0.00 51.96 50.08 3h17 s ALA 61 Cb -0.14 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 3h17 s ALA 61 CO -0.09 -1.21 1.20 -1.25 0.00 0.00 0.00 175.76 174.41 3h17 s PRO 62 N -4.99 3.51 0.00 0.00 0.04 -1.26 -3.63 135.00 128.68 3h17 s PRO 62 Ca 0.64 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3h17 s PRO 62 Cb -0.07 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3h17 s PRO 62 CO 0.42 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3h17 n GLY 63 N 0.47 2.05 3.67 0.56 0.00 -1.26 -4.69 105.19 105.99 3h17 n GLY 63 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3h17 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h17 s GLN 65 N 3.64 3.95 0.02 0.00 -0.44 0.63 -4.94 119.66 122.54 3h17 s GLN 65 Ca 0.80 0.87 -0.05 0.00 -2.50 0.00 0.00 55.36 54.48 3h17 s GLN 65 Cb -0.40 -2.20 -0.01 0.00 -1.64 0.00 0.00 33.01 28.75 3h17 s GLN 65 CO 0.36 -0.18 1.09 0.00 0.50 0.00 0.00 175.29 177.06 3h17 h ALA 66 N 1.17 -0.21 0.00 1.58 0.00 -1.92 -3.13 119.26 116.75 3h17 h ALA 66 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h17 h ALA 66 Cb 1.18 0.94 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3h17 h ALA 66 CO 0.62 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3h17 n GLY 67 N -1.05 -1.17 3.97 0.00 0.00 -1.26 -4.95 105.19 100.73 3h17 n GLY 67 Ca -0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 3h17 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h17 s LYS 68 N -2.49 3.43 -0.06 1.61 -0.14 -1.18 -4.61 119.74 116.30 3h17 s LYS 68 Ca 0.29 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.87 3h17 s LYS 68 Cb 0.19 -2.87 0.11 0.00 -1.68 0.00 0.00 37.83 33.58 3h17 s LYS 68 CO 0.41 0.39 0.90 0.00 -0.76 0.00 0.00 175.35 176.29 3h17 s ALA 69 N -2.02 -1.85 -0.16 5.17 0.00 -1.08 -4.32 121.76 117.50 3h17 s ALA 69 Ca 0.35 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3h17 s ALA 69 Cb -0.09 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.06 3h17 s ALA 69 CO 0.30 -0.53 -0.13 0.42 0.00 0.00 0.00 175.76 175.82 3h17 s ILE 70 N -2.27 1.57 -0.65 0.00 1.01 -0.91 -1.18 121.20 118.76 3h17 s ILE 70 Ca 0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 60.65 59.66 3h17 s ILE 70 Cb -0.01 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.97 3h17 s ILE 70 CO -0.04 0.37 1.23 -0.22 0.00 0.00 0.00 174.94 176.28 3h17 s LEU 71 N 1.47 3.34 -0.13 2.97 2.96 -0.71 0.49 118.68 129.07 3h17 s LEU 71 Ca 0.03 -0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 3h17 s LEU 71 Cb -0.14 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 3h17 s LEU 71 CO -0.10 -1.64 0.44 -0.47 -1.32 0.00 0.00 176.35 173.26 3h17 s TYR 72 N 5.28 3.50 -0.15 5.38 6.14 -0.49 0.37 117.35 137.39 3h17 s TYR 72 Ca 0.39 0.82 0.02 0.00 0.64 0.00 0.00 57.07 58.94 3h17 s TYR 72 Cb -0.08 -2.51 0.01 0.00 0.42 0.00 0.00 41.96 39.81 3h17 s TYR 72 CO 0.21 0.18 -0.21 -0.51 0.64 0.00 0.00 175.55 175.85 3h17 s LEU 73 N 0.61 2.14 0.48 6.97 1.43 0.17 -3.03 118.68 127.44 3h17 s LEU 73 Ca 0.24 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 3h17 s LEU 73 Cb -0.15 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 3h17 s LEU 73 CO 0.09 0.06 0.97 -1.38 0.23 0.00 0.00 176.35 176.32 3h17 s HIS 74 N 0.92 3.39 0.41 0.29 -3.43 -1.26 -2.30 115.29 113.31 3h17 s HIS 74 Ca -0.04 1.53 -0.06 0.00 -0.80 0.00 0.00 55.06 55.69 3h17 s HIS 74 Cb -0.15 -2.82 0.09 0.00 -1.43 0.00 0.00 32.58 28.27 3h17 s HIS 74 CO -0.04 -0.25 0.55 0.41 -2.00 0.00 0.00 174.74 173.41 3h17 n GLY 75 N -1.15 -0.93 0.00 -1.38 0.00 -0.59 -3.44 105.19 97.70 3h17 n GLY 75 Ca 0.07 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3h17 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h17 n GLY 76 N 1.30 0.72 2.43 -0.02 0.00 -1.26 -4.48 105.19 103.88 3h17 n GLY 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3h17 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h17 n GLY 77 N 0.00 1.50 3.30 -0.02 0.00 -1.26 -1.88 105.19 106.84 3h17 n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h17 n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h17 n TYR 78 N -2.00 0.00 -0.01 1.61 4.02 -1.26 -4.65 117.16 114.87 3h17 n TYR 78 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3h17 n TYR 78 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 3h17 n TYR 78 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3h17 n VAL 79 N -2.10 0.00 -3.69 -0.72 0.24 -0.82 -0.38 118.33 110.85 3h17 n VAL 79 Ca 0.00 -0.49 -0.07 0.00 -2.04 0.00 0.00 64.34 61.74 3h17 n VAL 79 Cb 0.06 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3h17 n VAL 79 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3h17 n MET 80 N -0.59 0.54 0.00 7.34 0.00 -0.79 -4.71 117.12 118.91 3h17 n MET 80 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 57.70 56.16 3h17 n MET 80 Cb 0.00 1.65 0.00 0.00 0.00 0.00 0.00 33.22 34.87 3h17 n MET 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h17 n GLY 81 N -0.34 -0.42 3.61 3.17 0.00 -1.26 -4.22 105.19 105.73 3h17 n GLY 81 Ca -0.02 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3h17 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h17 s SER 82 N -2.48 -0.06 0.17 1.61 1.04 -1.26 -4.98 113.70 107.74 3h17 s SER 82 Ca 0.00 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.10 3h17 s SER 82 Cb 0.00 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.28 3h17 s SER 82 CO 0.00 -0.21 1.57 0.40 0.98 0.00 0.00 173.24 175.97 3h17 h ILE 83 N 2.00 0.08 -0.91 -1.02 2.04 -1.89 -2.45 117.51 115.36 3h17 h ILE 83 Ca -0.24 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.76 3h17 h ILE 83 Cb 1.19 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.26 3h17 h ILE 83 CO 0.27 0.00 0.53 -1.13 0.00 0.00 0.00 178.15 177.81 3h17 h ASN 84 N -0.21 0.71 1.21 1.72 -1.24 -1.98 -0.11 115.58 115.68 3h17 h ASN 84 Ca 0.19 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 3h17 h ASN 84 Cb 0.56 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 3h17 h ASN 84 CO -0.71 0.34 -0.00 0.71 -1.29 0.00 0.00 177.43 176.48 3h17 h THR 85 N 0.78 0.00 -0.01 -3.57 1.35 -1.77 -3.11 112.91 106.58 3h17 h THR 85 Ca 0.48 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3h17 h THR 85 Cb 0.59 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3h17 h THR 85 CO -0.32 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.36 3h17 n HIS 86 N -3.09 0.01 -0.20 4.73 8.25 -0.49 -4.70 115.22 119.73 3h17 n HIS 86 Ca 0.01 -0.08 0.01 0.00 -0.26 0.00 0.00 57.72 57.40 3h17 n HIS 86 Cb 0.35 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 31.56 3h17 n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3h17 h ARG 87 N 0.37 0.26 -0.00 -0.41 2.43 -1.00 -2.38 114.38 113.65 3h17 h ARG 87 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h17 h ARG 87 Cb 0.15 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3h17 h ARG 87 CO 0.00 0.17 0.00 1.03 -1.51 0.00 0.00 179.97 179.66 3h17 h SER 88 N 0.27 0.01 0.61 -3.80 0.87 -1.80 -0.24 113.55 109.46 3h17 h SER 88 Ca 0.32 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3h17 h SER 88 Cb 0.47 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3h17 h SER 88 CO -0.40 0.15 -0.11 -0.03 -0.53 0.00 0.00 176.83 175.92 3h17 h MET 89 N -0.14 0.00 0.11 2.24 1.85 -1.85 -2.61 114.93 114.53 3h17 h MET 89 Ca 0.00 0.00 -0.32 0.00 -0.61 0.00 0.00 59.70 58.77 3h17 h MET 89 Cb 0.15 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 3h17 h MET 89 CO -0.00 0.11 -1.70 0.28 -0.40 0.00 0.00 176.91 175.19 3h17 h VAL 90 N 0.00 0.94 -0.87 -5.77 2.07 -0.95 -0.86 116.25 110.82 3h17 h VAL 90 Ca -0.00 -2.63 0.16 0.00 0.82 0.00 0.00 66.70 65.05 3h17 h VAL 90 Cb 0.44 2.64 -0.16 0.00 -1.52 0.00 0.00 31.29 32.69 3h17 h VAL 90 CO 0.01 0.79 -0.28 1.23 0.02 0.00 0.00 177.57 179.35 3h17 h GLY 91 N 1.72 0.40 1.49 2.17 0.00 -0.89 0.59 103.07 108.55 3h17 h GLY 91 Ca -0.31 0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 3h17 h GLY 91 CO 0.13 -0.29 -0.24 0.83 0.00 0.00 0.00 176.54 176.97 3h17 h GLU 92 N -0.02 0.59 -0.23 4.80 4.39 -1.02 0.62 114.58 123.70 3h17 h GLU 92 Ca 0.38 -0.23 -0.16 0.00 0.34 0.00 0.00 59.36 59.69 3h17 h GLU 92 Cb 0.62 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3h17 h GLU 92 CO -0.90 0.78 -0.51 -0.84 -1.16 0.00 0.00 179.01 176.39 3h17 h ILE 93 N 0.52 1.31 0.17 3.13 -0.00 -0.22 0.97 117.51 123.38 3h17 h ILE 93 Ca 0.07 -1.73 -0.01 0.00 -0.00 0.00 0.00 64.86 63.20 3h17 h ILE 93 Cb 0.69 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.19 3h17 h ILE 93 CO 0.05 0.54 -0.09 -1.28 -0.00 0.00 0.00 178.15 177.38 3h17 h SER 94 N 0.50 -0.21 -0.90 2.16 0.87 0.22 0.18 113.55 116.37 3h17 h SER 94 Ca 0.02 0.01 0.24 0.00 -1.23 0.00 0.00 61.79 60.83 3h17 h SER 94 Cb 1.06 0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.94 3h17 h SER 94 CO 0.10 -0.14 0.36 -0.09 -0.53 0.00 0.00 176.83 176.53 3h17 h ARG 95 N -0.23 0.32 0.00 2.24 2.43 -0.72 0.25 114.38 118.66 3h17 h ARG 95 Ca -0.02 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3h17 h ARG 95 Cb 0.18 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3h17 h ARG 95 CO 0.03 0.21 -0.39 0.00 -1.51 0.00 0.00 179.97 178.31 3h17 h ALA 96 N 1.75 0.81 -0.00 2.80 0.00 0.28 -3.35 119.26 121.55 3h17 h ALA 96 Ca 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3h17 h ALA 96 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h17 h ALA 96 CO -0.58 0.23 -0.43 -1.13 0.00 0.00 0.00 179.25 177.34 3h17 n SER 97 N -3.05 1.03 -1.38 0.00 3.41 0.54 -4.44 113.62 109.73 3h17 n SER 97 Ca 0.02 -1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 57.50 3h17 n SER 97 Cb 0.61 0.73 -0.00 0.00 -0.26 0.00 0.00 64.21 65.28 3h17 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h17 n GLN 98 N -0.72 -1.17 -4.16 4.33 3.00 0.77 -4.70 117.38 114.72 3h17 n GLN 98 Ca 0.04 0.55 -0.16 0.00 -0.01 0.00 0.00 57.00 57.43 3h17 n GLN 98 Cb 0.24 -4.68 -0.11 0.00 0.00 0.00 0.00 30.24 25.69 3h17 n GLN 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h17 s ALA 99 N -2.62 1.08 0.40 -1.58 0.00 -1.19 -0.27 121.76 117.59 3h17 s ALA 99 Ca 0.02 -1.08 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 3h17 s ALA 99 Cb -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 3h17 s ALA 99 CO 0.03 0.04 1.05 0.00 0.00 0.00 0.00 175.76 176.88 3h17 s ALA 100 N -1.91 3.08 -0.04 0.00 0.00 -1.26 -4.32 121.76 117.30 3h17 s ALA 100 Ca 0.01 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3h17 s ALA 100 Cb -0.06 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3h17 s ALA 100 CO 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 175.76 175.53 3h17 s ALA 101 N -1.67 3.21 -0.38 0.00 0.00 0.23 -2.15 121.76 121.00 3h17 s ALA 101 Ca 0.58 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 51.47 3h17 s ALA 101 Cb -0.22 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.56 3h17 s ALA 101 CO 0.27 0.61 0.48 -1.17 0.00 0.00 0.00 175.76 175.95 3h17 s LEU 102 N -1.17 4.52 -0.52 0.00 0.20 0.18 0.79 118.68 122.68 3h17 s LEU 102 Ca 0.16 -0.28 -0.09 0.00 0.69 0.00 0.00 54.13 54.60 3h17 s LEU 102 Cb -0.11 -2.50 0.13 0.00 -0.43 0.00 0.00 46.19 43.28 3h17 s LEU 102 CO 0.06 -0.52 0.40 -0.22 -0.29 0.00 0.00 176.35 175.78 3h17 s LEU 103 N 2.31 5.78 0.05 -0.68 2.96 0.10 -1.39 118.68 127.81 3h17 s LEU 103 Ca 0.16 -2.05 -0.25 0.00 -0.22 0.00 0.00 54.13 51.77 3h17 s LEU 103 Cb -0.16 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3h17 s LEU 103 CO 0.14 -0.67 0.77 -0.22 -1.32 0.00 0.00 176.35 175.05 3h17 s LEU 104 N 1.16 4.45 -1.12 -0.68 0.20 -1.17 -2.50 118.68 119.02 3h17 s LEU 104 Ca 0.07 1.46 -0.06 0.00 0.69 0.00 0.00 54.13 56.29 3h17 s LEU 104 Cb -0.25 -3.24 0.28 0.00 -0.43 0.00 0.00 46.19 42.56 3h17 s LEU 104 CO -0.01 0.02 1.44 -0.67 -0.29 0.00 0.00 176.35 176.84 3h17 n ASP 105 N 2.78 6.01 -4.82 3.68 2.03 -0.31 -4.63 116.55 121.29 3h17 n ASP 105 Ca -0.02 -3.27 -0.29 0.00 0.52 0.00 0.00 54.79 51.73 3h17 n ASP 105 Cb 0.50 -1.34 0.12 0.00 -0.72 0.00 0.00 41.12 39.69 3h17 n ASP 105 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3h17 s TYR 106 N -1.86 2.65 0.29 -0.67 -0.85 -1.26 -4.32 117.35 111.32 3h17 s TYR 106 Ca 0.33 0.83 -0.29 0.00 -0.52 0.00 0.00 57.07 57.42 3h17 s TYR 106 Cb 0.02 -3.41 -0.09 0.00 0.38 0.00 0.00 41.96 38.85 3h17 s TYR 106 CO 0.05 -2.18 1.08 1.03 -1.52 0.00 0.00 175.55 174.01 3h17 s ARG 107 N -5.36 4.63 0.09 -3.49 0.52 -1.26 -5.00 118.95 109.08 3h17 s ARG 107 Ca 0.63 1.75 0.06 0.00 -0.52 0.00 0.00 55.73 57.65 3h17 s ARG 107 Cb -0.14 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 3h17 s ARG 107 CO 0.52 0.22 -0.06 -0.51 0.02 0.00 0.00 175.30 175.49 3h17 s LEU 108 N -1.51 3.21 0.50 2.53 1.43 -1.26 -3.85 118.68 119.73 3h17 s LEU 108 Ca 0.45 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3h17 s LEU 108 Cb -0.31 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 3h17 s LEU 108 CO 0.39 0.19 0.76 0.00 0.23 0.00 0.00 176.35 177.92 3h17 s ALA 109 N -1.23 3.57 -1.76 4.21 0.00 0.49 -1.36 121.76 125.68 3h17 s ALA 109 Ca 0.23 -0.90 0.14 0.00 0.00 0.00 0.00 51.96 51.43 3h17 s ALA 109 Cb -0.11 -2.33 0.44 0.00 0.00 0.00 0.00 23.12 21.12 3h17 s ALA 109 CO 0.15 -0.53 1.35 -0.35 0.00 0.00 0.00 175.76 176.37 3h17 n PRO 110 N -2.28 2.35 -0.01 0.00 -0.04 -1.26 -3.91 135.00 129.85 3h17 n PRO 110 Ca 0.02 -1.78 -0.08 0.00 -0.04 0.00 0.00 63.50 61.62 3h17 n PRO 110 Cb 0.57 -1.48 0.09 0.00 -0.04 0.00 0.00 33.50 32.64 3h17 n PRO 110 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h17 h GLU 111 N 2.78 0.58 -3.03 0.54 3.07 -1.90 -3.39 114.58 113.23 3h17 h GLU 111 Ca 0.00 -0.31 -0.62 0.00 -0.50 0.00 0.00 59.36 57.93 3h17 h GLU 111 Cb 0.78 0.01 -0.41 0.00 -0.84 0.00 0.00 28.75 28.29 3h17 h GLU 111 CO 0.05 0.91 -0.67 -1.01 -1.40 0.00 0.00 179.01 176.89 3h17 s HIS 112 N -4.19 2.87 0.87 4.33 3.76 -0.46 -5.05 115.29 117.43 3h17 s HIS 112 Ca -0.08 -3.01 -0.11 0.00 -0.15 0.00 0.00 55.06 51.72 3h17 s HIS 112 Cb 0.12 -2.34 0.11 0.00 1.11 0.00 0.00 32.58 31.58 3h17 s HIS 112 CO 0.83 -0.67 1.09 -2.14 -0.85 0.00 0.00 174.74 173.01 3h17 s PRO 113 N -0.69 1.45 0.14 8.40 0.02 -1.26 -3.46 135.00 139.60 3h17 s PRO 113 Ca 0.23 0.97 -0.28 0.00 0.02 0.00 0.00 61.00 61.94 3h17 s PRO 113 Cb -0.11 -1.82 -0.16 0.00 0.02 0.00 0.00 34.50 32.43 3h17 s PRO 113 CO -0.11 -2.15 0.58 0.34 -0.33 0.00 0.00 177.00 175.33 3h17 n PHE 114 N -3.84 -0.23 -0.70 6.54 7.35 -0.11 -1.40 117.46 125.06 3h17 n PHE 114 Ca 0.08 0.90 -0.09 0.00 -0.76 0.00 0.00 57.45 57.58 3h17 n PHE 114 Cb 0.54 -1.82 0.22 0.00 0.35 0.00 0.00 39.48 38.78 3h17 n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3h17 n PRO 115 N 1.01 2.94 0.18 -7.13 -0.04 -1.26 -4.95 135.00 125.74 3h17 n PRO 115 Ca 0.17 -2.50 -0.11 0.00 -0.04 0.00 0.00 63.50 61.01 3h17 n PRO 115 Cb 0.20 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 3h17 n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h17 h ALA 116 N 2.22 -1.00 -0.31 0.55 0.00 -1.49 0.23 119.26 119.46 3h17 h ALA 116 Ca 0.30 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3h17 h ALA 116 Cb 2.19 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 20.53 3h17 h ALA 116 CO 0.69 -1.02 0.25 0.00 0.00 0.00 0.00 179.25 179.18 3h17 h ALA 117 N -1.20 2.18 -0.18 0.00 0.00 -1.82 0.19 119.26 118.43 3h17 h ALA 117 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3h17 h ALA 117 Cb 0.55 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3h17 h ALA 117 CO -0.05 -0.42 -0.20 0.28 0.00 0.00 0.00 179.25 178.86 3h17 h VAL 118 N 0.00 1.34 -0.28 0.00 2.07 -1.77 -2.32 116.25 115.28 3h17 h VAL 118 Ca 0.15 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.33 3h17 h VAL 118 Cb 0.65 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3h17 h VAL 118 CO -0.00 0.42 0.19 -0.33 0.02 0.00 0.00 177.57 177.87 3h17 h GLU 119 N 0.11 0.16 -0.04 1.57 5.08 0.20 0.04 114.58 121.70 3h17 h GLU 119 Ca 0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3h17 h GLU 119 Cb 0.76 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3h17 h GLU 119 CO 0.05 0.10 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.66 3h17 h ASP 120 N 0.16 0.13 -0.07 1.42 3.32 -0.70 -1.98 116.42 118.70 3h17 h ASP 120 Ca 0.12 -0.53 0.04 0.00 0.02 0.00 0.00 57.03 56.68 3h17 h ASP 120 Cb 0.29 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3h17 h ASP 120 CO -0.02 0.63 -0.25 1.23 -1.72 0.00 0.00 179.24 179.11 3h17 h GLY 121 N -0.38 -0.33 0.84 2.75 0.00 -0.77 0.51 103.07 105.71 3h17 h GLY 121 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.71 3h17 h GLY 121 CO 0.01 -0.20 0.57 -2.08 0.00 0.00 0.00 176.54 174.84 3h17 h VAL 122 N -0.35 1.03 -0.01 4.60 2.07 -1.10 -0.55 116.25 121.94 3h17 h VAL 122 Ca 0.08 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.09 3h17 h VAL 122 Cb 0.47 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3h17 h VAL 122 CO -0.27 0.17 -0.84 0.00 0.02 0.00 0.00 177.57 176.66 3h17 h ALA 123 N 1.54 0.56 -0.29 1.67 0.00 -0.10 -1.64 119.26 121.00 3h17 h ALA 123 Ca 0.38 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3h17 h ALA 123 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3h17 h ALA 123 CO -0.15 0.88 -0.01 0.00 0.00 0.00 0.00 179.25 179.97 3h17 h ALA 124 N 0.99 0.39 0.30 0.00 0.00 0.78 -1.77 119.26 119.95 3h17 h ALA 124 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h17 h ALA 124 Cb 1.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3h17 h ALA 124 CO 0.13 0.15 -0.50 -0.92 0.00 0.00 0.00 179.25 178.11 3h17 h TYR 125 N 0.31 -1.43 -1.22 0.00 3.20 -1.02 -0.30 116.97 116.52 3h17 h TYR 125 Ca 0.08 0.03 0.42 0.00 3.14 0.00 0.00 58.73 62.40 3h17 h TYR 125 Cb 0.45 0.58 -0.14 0.00 1.54 0.00 0.00 36.73 39.17 3h17 h TYR 125 CO 0.04 -0.62 0.76 -0.09 -1.64 0.00 0.00 178.16 176.60 3h17 h ARG 126 N -0.86 0.09 -0.11 1.82 2.43 -1.25 0.68 114.38 117.17 3h17 h ARG 126 Ca -0.03 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 3h17 h ARG 126 Cb 0.80 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3h17 h ARG 126 CO -0.18 0.06 -0.72 2.35 -1.51 0.00 0.00 179.97 179.97 3h17 h TRP 127 N 0.09 0.71 -0.62 2.20 7.01 -0.45 0.33 115.95 125.22 3h17 h TRP 127 Ca 0.82 -0.31 -0.07 0.00 2.11 0.00 0.00 58.89 61.45 3h17 h TRP 127 Cb 2.41 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 29.34 3h17 h TRP 127 CO -0.01 1.08 0.13 -0.07 -2.79 0.00 0.00 178.44 176.78 3h17 h LEU 128 N 0.37 0.97 -0.58 0.65 3.38 0.20 0.25 115.31 120.55 3h17 h LEU 128 Ca -0.03 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3h17 h LEU 128 Cb 1.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3h17 h LEU 128 CO 0.13 0.97 -0.01 -0.07 0.09 0.00 0.00 178.44 179.55 3h17 h LEU 129 N 0.93 1.01 -0.47 1.67 3.38 -1.10 -2.28 115.31 118.45 3h17 h LEU 129 Ca 0.19 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3h17 h LEU 129 Cb 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h17 h LEU 129 CO 0.01 1.08 0.00 0.47 0.09 0.00 0.00 178.44 180.09 3h17 n ASP 130 N -4.21 0.34 0.03 -0.43 10.43 0.11 0.85 116.55 123.68 3h17 n ASP 130 Ca 0.02 0.60 0.13 0.00 2.57 0.00 0.00 54.79 58.12 3h17 n ASP 130 Cb 0.35 -0.67 0.48 0.00 1.84 0.00 0.00 41.12 43.12 3h17 n ASP 130 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h17 n GLN 131 N -1.90 0.07 -1.79 -1.24 1.13 0.02 -4.95 117.38 108.72 3h17 n GLN 131 Ca 0.02 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3h17 n GLN 131 Cb 0.16 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.93 3h17 n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h17 n GLY 132 N 1.45 0.57 3.75 1.08 0.00 0.25 -5.04 105.19 107.25 3h17 n GLY 132 Ca 0.06 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3h17 n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h17 s PHE 133 N -2.03 3.46 -0.23 1.61 0.40 -0.93 -5.03 117.98 115.24 3h17 s PHE 133 Ca 0.00 1.56 -0.12 0.00 -0.60 0.00 0.00 56.93 57.77 3h17 s PHE 133 Cb 0.00 -3.39 -0.05 0.00 0.51 0.00 0.00 43.02 40.10 3h17 s PHE 133 CO 0.00 -0.95 0.22 0.15 0.70 0.00 0.00 175.22 175.34 3h17 s LYS 134 N -1.01 4.10 0.17 0.44 1.02 -1.26 -4.47 119.74 118.73 3h17 s LYS 134 Ca 0.48 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.35 3h17 s LYS 134 Cb -0.33 -3.53 0.45 0.00 -0.52 0.00 0.00 37.83 33.90 3h17 s LYS 134 CO 0.41 0.05 0.83 -2.30 -0.92 0.00 0.00 175.35 173.41 3h17 n PRO 135 N 4.28 -0.04 0.00 -1.68 -0.02 -1.26 0.48 135.00 136.76 3h17 n PRO 135 Ca -0.13 0.78 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 3h17 n PRO 135 Cb 0.52 -1.26 0.61 0.00 -0.02 0.00 0.00 33.50 33.34 3h17 n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h17 n GLN 136 N -4.56 0.00 -0.16 -0.52 0.00 -1.26 0.24 117.38 111.11 3h17 n GLN 136 Ca 0.14 0.01 0.11 0.00 0.00 0.00 0.00 57.00 57.25 3h17 n GLN 136 Cb 0.45 -1.51 0.28 0.00 0.00 0.00 0.00 30.24 29.46 3h17 n GLN 136 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3h17 n HIS 137 N -1.51 0.43 -4.07 2.61 8.25 1.76 -4.59 115.22 118.09 3h17 n HIS 137 Ca 0.07 -0.21 -0.29 0.00 -0.26 0.00 0.00 57.72 57.03 3h17 n HIS 137 Cb 0.34 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.38 3h17 n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h17 s LEU 138 N -1.42 3.78 0.12 2.41 1.43 0.14 -2.62 118.68 122.52 3h17 s LEU 138 Ca 0.35 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 3h17 s LEU 138 Cb 0.20 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3h17 s LEU 138 CO 0.28 0.14 -0.10 -0.55 0.23 0.00 0.00 176.35 176.34 3h17 s SER 139 N -2.64 1.65 -0.05 2.29 0.15 -0.33 -0.50 113.70 114.28 3h17 s SER 139 Ca 0.30 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 56.05 3h17 s SER 139 Cb -0.11 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 3h17 s SER 139 CO 0.22 -0.29 -0.04 -0.51 1.20 0.00 0.00 173.24 173.82 3h17 s ILE 140 N -2.83 0.53 0.27 6.45 2.07 -1.11 -1.74 121.20 124.84 3h17 s ILE 140 Ca 0.11 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3h17 s ILE 140 Cb -0.00 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 3h17 s ILE 140 CO 0.00 0.23 0.25 -0.55 -1.91 0.00 0.00 174.94 172.96 3h17 s SER 141 N 0.95 0.80 0.00 4.50 0.15 0.16 -1.21 113.70 119.05 3h17 s SER 141 Ca -0.11 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.03 3h17 s SER 141 Cb -0.14 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3h17 s SER 141 CO -0.00 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.06 3h17 n GLY 142 N -0.44 2.38 3.75 9.45 0.00 -1.08 -0.65 105.19 118.60 3h17 n GLY 142 Ca 0.04 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3h17 n GLY 142 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h17 s ASP 143 N 0.00 5.92 1.32 1.61 3.84 -0.97 0.27 116.67 128.66 3h17 s ASP 143 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 52.55 52.81 3h17 s ASP 143 Cb 0.00 -1.92 0.00 0.00 -1.38 0.00 0.00 42.92 39.62 3h17 s ASP 143 CO 0.00 0.31 0.00 -0.24 -0.00 0.00 0.00 175.17 175.24 3h17 n SER 144 N 2.65 0.00 0.19 2.11 2.88 0.40 0.92 113.62 122.77 3h17 n SER 144 Ca -0.18 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.40 3h17 n SER 144 Cb 0.54 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.43 3h17 n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h17 h ALA 145 N -0.32 1.55 -0.46 -1.46 0.00 -1.84 0.14 119.26 116.87 3h17 h ALA 145 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3h17 h ALA 145 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h17 h ALA 145 CO 0.00 0.33 -0.11 0.78 0.00 0.00 0.00 179.25 180.25 3h17 h GLY 146 N 0.77 0.90 1.77 0.00 0.00 0.52 -1.10 103.07 105.92 3h17 h GLY 146 Ca 0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 3h17 h GLY 146 CO 0.03 0.63 -0.27 -1.33 0.00 0.00 0.00 176.54 175.61 3h17 h GLY 147 N 0.97 0.29 0.82 4.60 0.00 -0.56 -1.00 103.07 108.19 3h17 h GLY 147 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 3h17 h GLY 147 CO 0.04 0.21 -0.65 -1.33 0.00 0.00 0.00 176.54 174.80 3h17 h GLY 148 N 1.00 0.48 0.07 4.60 0.00 -0.51 -2.94 103.07 105.77 3h17 h GLY 148 Ca 0.04 -0.85 0.22 0.00 0.00 0.00 0.00 47.33 46.73 3h17 h GLY 148 CO 0.04 0.76 0.62 -2.00 0.00 0.00 0.00 176.54 175.96 3h17 h LEU 149 N -0.08 0.60 -0.75 3.11 6.46 -0.90 0.23 115.31 124.00 3h17 h LEU 149 Ca -0.08 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 57.92 3h17 h LEU 149 Cb 1.37 -0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 41.17 3h17 h LEU 149 CO 0.13 0.19 0.23 0.58 -0.62 0.00 0.00 178.44 178.95 3h17 h VAL 150 N 0.57 0.57 -0.39 1.05 2.07 -1.00 0.47 116.25 119.59 3h17 h VAL 150 Ca 0.57 -0.12 -0.16 0.00 0.82 0.00 0.00 66.70 67.81 3h17 h VAL 150 Cb 1.15 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3h17 h VAL 150 CO -0.32 0.06 -0.37 -0.07 0.02 0.00 0.00 177.57 176.89 3h17 h LEU 151 N 0.34 0.98 -0.51 2.57 -0.00 -0.63 -2.01 115.31 116.04 3h17 h LEU 151 Ca 0.42 -0.44 -0.16 0.00 -0.00 0.00 0.00 57.88 57.69 3h17 h LEU 151 Cb 0.69 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 3h17 h LEU 151 CO -0.47 1.24 -0.71 0.00 -0.00 0.00 0.00 178.44 178.50 3h17 h ALA 152 N 0.81 0.73 -0.14 1.53 0.00 0.13 -1.53 119.26 120.78 3h17 h ALA 152 Ca 0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 3h17 h ALA 152 Cb 0.96 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3h17 h ALA 152 CO 0.09 0.80 -0.40 0.28 0.00 0.00 0.00 179.25 180.02 3h17 h VAL 153 N 0.15 1.31 0.48 0.00 2.07 -0.27 -1.56 116.25 118.42 3h17 h VAL 153 Ca -0.02 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 3h17 h VAL 153 Cb 1.26 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3h17 h VAL 153 CO 0.11 0.46 -0.23 -0.07 0.02 0.00 0.00 177.57 177.86 3h17 h LEU 154 N 0.27 -0.54 -0.37 2.57 3.38 -0.53 0.33 115.31 120.41 3h17 h LEU 154 Ca 0.03 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3h17 h LEU 154 Cb 0.82 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 3h17 h LEU 154 CO 0.07 -0.17 -0.21 0.58 0.09 0.00 0.00 178.44 178.80 3h17 h VAL 155 N -0.98 0.41 -0.10 1.22 2.07 -1.40 0.30 116.25 117.77 3h17 h VAL 155 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3h17 h VAL 155 Cb 0.59 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3h17 h VAL 155 CO 0.11 0.00 -0.29 -1.28 0.02 0.00 0.00 177.57 176.13 3h17 h SER 156 N -0.15 -0.89 0.18 0.57 0.87 -1.25 0.22 113.55 113.11 3h17 h SER 156 Ca 0.18 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 3h17 h SER 156 Cb 0.43 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3h17 h SER 156 CO -0.46 -0.34 -0.18 0.00 -0.53 0.00 0.00 176.83 175.31 3h17 h ALA 157 N 0.47 1.69 0.03 6.23 0.00 0.04 -1.86 119.26 125.86 3h17 h ALA 157 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h17 h ALA 157 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h17 h ALA 157 CO -0.32 0.23 -0.01 -0.09 0.00 0.00 0.00 179.25 179.06 3h17 h ARG 158 N 0.00 -0.04 -1.47 0.00 2.43 0.12 0.49 114.38 115.92 3h17 h ARG 158 Ca -0.00 0.00 0.44 0.00 -0.81 0.00 0.00 59.98 59.61 3h17 h ARG 158 Cb 0.33 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 3h17 h ARG 158 CO 0.02 0.59 1.01 -0.44 -1.51 0.00 0.00 179.97 179.65 3h17 h ASP 159 N -0.71 0.13 -0.50 -3.80 3.32 -0.58 0.13 116.42 114.40 3h17 h ASP 159 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3h17 h ASP 159 Cb 0.65 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3h17 h ASP 159 CO 0.01 -0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 3h17 n GLN 160 N -4.33 2.44 -0.62 3.56 6.02 -0.71 -4.93 117.38 118.81 3h17 n GLN 160 Ca 0.36 -2.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.14 3h17 n GLN 160 Cb 1.52 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 31.28 3h17 n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h17 n GLY 161 N 1.49 1.47 3.81 1.08 0.00 0.46 -5.04 105.19 108.45 3h17 n GLY 161 Ca 0.20 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3h17 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h17 s LEU 162 N 0.00 4.41 0.28 0.99 1.43 0.16 -5.02 118.68 120.94 3h17 s LEU 162 Ca 0.00 0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 53.67 3h17 s LEU 162 Cb 0.00 -2.55 -0.13 0.00 0.03 0.00 0.00 46.19 43.54 3h17 s LEU 162 CO 0.00 0.25 1.33 -0.81 0.23 0.00 0.00 176.35 177.35 3h17 n PRO 163 N 2.31 1.99 -2.51 1.29 -0.04 -1.26 -4.57 135.00 132.21 3h17 n PRO 163 Ca -0.13 0.70 -0.32 0.00 -0.04 0.00 0.00 63.50 63.71 3h17 n PRO 163 Cb 0.52 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.64 3h17 n PRO 163 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3h17 s MET 164 N -1.03 3.95 0.53 0.54 -1.94 -1.26 -4.99 119.30 115.10 3h17 s MET 164 Ca 0.63 0.90 -0.09 0.00 -1.71 0.00 0.00 55.69 55.42 3h17 s MET 164 Cb -0.63 -2.18 0.13 0.00 2.01 0.00 0.00 34.83 34.16 3h17 s MET 164 CO 0.55 -0.21 0.59 -0.35 -0.01 0.00 0.00 175.02 175.59 3h17 n PRO 165 N -1.43 -1.25 0.00 2.03 -0.04 -1.26 -4.58 135.00 128.46 3h17 n PRO 165 Ca 0.06 -0.93 -0.14 0.00 -0.04 0.00 0.00 63.50 62.45 3h17 n PRO 165 Cb 0.54 -0.72 -0.14 0.00 -0.04 0.00 0.00 33.50 33.14 3h17 n PRO 165 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h17 h ALA 166 N -2.10 0.59 -2.33 0.55 0.00 -0.71 -3.43 119.26 111.82 3h17 h ALA 166 Ca -0.20 -1.38 -0.35 0.00 0.00 0.00 0.00 54.91 52.97 3h17 h ALA 166 Cb 0.59 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 3h17 h ALA 166 CO 0.14 1.43 -0.61 -1.54 0.00 0.00 0.00 179.25 178.67 3h17 s SER 167 N -6.54 1.20 -0.13 0.00 1.04 -1.24 -4.13 113.70 103.90 3h17 s SER 167 Ca -0.11 -1.39 -0.10 0.00 0.48 0.00 0.00 55.95 54.82 3h17 s SER 167 Cb 0.07 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.41 3h17 s SER 167 CO 0.81 -0.74 0.34 0.00 0.98 0.00 0.00 173.24 174.63 3h17 s ALA 168 N -3.75 -0.85 -0.43 5.32 0.00 -0.39 -2.76 121.76 118.91 3h17 s ALA 168 Ca 0.38 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.44 3h17 s ALA 168 Cb 0.08 -0.65 0.14 0.00 0.00 0.00 0.00 23.12 22.69 3h17 s ALA 168 CO 0.14 -0.19 0.25 0.42 0.00 0.00 0.00 175.76 176.38 3h17 s ILE 169 N 0.57 1.03 -0.03 0.00 1.09 -0.35 -2.05 121.20 121.46 3h17 s ILE 169 Ca -0.03 -2.42 -0.29 0.00 -1.10 0.00 0.00 60.65 56.80 3h17 s ILE 169 Cb -0.05 -1.72 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 3h17 s ILE 169 CO -0.03 -0.96 0.97 -2.16 -0.10 0.00 0.00 174.94 172.65 3h17 s PRO 170 N 0.43 4.52 -0.21 2.79 0.05 -1.22 -2.63 135.00 138.73 3h17 s PRO 170 Ca 0.20 1.38 -0.06 0.00 0.05 0.00 0.00 61.00 62.57 3h17 s PRO 170 Cb -0.20 -3.48 -0.03 0.00 0.05 0.00 0.00 34.50 30.84 3h17 s PRO 170 CO -0.02 -0.11 0.02 0.42 0.05 0.00 0.00 177.00 177.35 3h17 s ILE 171 N 1.25 4.10 -1.37 0.56 1.01 0.14 -2.77 121.20 124.13 3h17 s ILE 171 Ca 0.50 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 3h17 s ILE 171 Cb -0.20 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.43 3h17 s ILE 171 CO 0.25 0.41 0.38 -1.20 0.00 0.00 0.00 174.94 174.78 3h17 n SER 172 N 4.30 -1.82 -4.78 3.58 7.64 -0.11 -0.45 113.62 121.98 3h17 n SER 172 Ca -0.17 -1.29 -0.36 0.00 1.01 0.00 0.00 58.87 58.06 3h17 n SER 172 Cb 0.52 -1.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.01 3h17 n SER 172 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3h17 s PRO 173 N -7.40 4.01 -0.70 1.43 0.04 -1.26 -2.69 135.00 128.43 3h17 s PRO 173 Ca 0.27 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 3h17 s PRO 173 Cb -0.15 -2.47 0.18 0.00 0.04 0.00 0.00 34.50 32.10 3h17 s PRO 173 CO 0.98 -0.29 0.66 -0.46 0.04 0.00 0.00 177.00 177.94 3h17 s TRP 174 N -1.65 3.52 -0.45 0.56 -0.00 0.08 -4.49 118.94 116.52 3h17 s TRP 174 Ca 0.60 -1.67 0.04 0.00 -0.00 0.00 0.00 56.10 55.07 3h17 s TRP 174 Cb -0.24 -3.82 0.47 0.00 -0.00 0.00 0.00 33.47 29.88 3h17 s TRP 174 CO 0.29 -1.02 1.60 0.00 -0.00 0.00 0.00 176.95 177.82 3h17 n ALA 175 N 4.59 5.45 -3.15 5.86 0.00 -1.26 -4.06 120.51 127.94 3h17 n ALA 175 Ca 0.02 -3.53 0.05 0.00 0.00 0.00 0.00 53.44 49.97 3h17 n ALA 175 Cb 0.44 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 3h17 n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h17 s ASP 176 N -2.65 -1.08 0.00 0.00 -1.08 -1.26 -2.39 116.67 108.22 3h17 s ASP 176 Ca 0.56 0.34 0.30 0.00 -0.52 0.00 0.00 52.55 53.23 3h17 s ASP 176 Cb 0.45 1.77 1.58 0.00 -1.46 0.00 0.00 42.92 45.26 3h17 s ASP 176 CO 0.02 -0.20 2.05 0.23 0.52 0.00 0.00 175.17 177.79 3h17 n MET 177 N 5.36 1.03 0.00 4.34 2.81 -1.26 -3.36 117.12 126.04 3h17 n MET 177 Ca 0.02 -0.24 0.14 0.00 -1.81 0.00 0.00 57.70 55.81 3h17 n MET 177 Cb 0.54 -1.50 0.54 0.00 -0.71 0.00 0.00 33.22 32.10 3h17 n MET 177 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h17 n THR 178 N -0.78 0.00 -3.76 2.03 -2.24 -1.26 -4.91 114.28 103.36 3h17 n THR 178 Ca 0.20 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.70 3h17 n THR 178 Cb 0.20 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 3h17 n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h17 n THR 180 N -3.40 0.48 -2.75 0.00 -2.24 -1.26 -4.95 114.28 100.17 3h17 n THR 180 Ca -0.16 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.48 3h17 n THR 180 Cb 0.42 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 3h17 n THR 180 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3h17 s ASN 181 N -0.96 7.55 0.28 3.42 -0.87 -1.26 -4.95 114.94 118.15 3h17 s ASN 181 Ca 0.18 1.93 -0.04 0.00 -1.57 0.00 0.00 52.86 53.36 3h17 s ASN 181 Cb 0.11 -2.60 0.57 0.00 -0.02 0.00 0.00 41.25 39.31 3h17 s ASN 181 CO 0.15 0.08 1.58 0.44 -2.57 0.00 0.00 177.10 176.78 3h17 h ASP 182 N 3.86 -0.61 -1.28 -1.22 3.45 -1.95 0.22 116.42 118.88 3h17 h ASP 182 Ca -0.46 0.27 0.37 0.00 0.43 0.00 0.00 57.03 57.64 3h17 h ASP 182 Cb 1.20 0.50 -0.06 0.00 -0.56 0.00 0.00 39.33 40.41 3h17 h ASP 182 CO 0.67 -0.31 0.90 0.77 -1.57 0.00 0.00 179.24 179.70 3h17 h SER 183 N 0.02 0.08 -0.46 6.45 4.64 -1.93 1.67 113.55 124.03 3h17 h SER 183 Ca 0.51 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.92 3h17 h SER 183 Cb 0.94 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3h17 h SER 183 CO -0.90 -0.00 0.31 -0.26 -0.87 0.00 0.00 176.83 175.11 3h17 h PHE 184 N 0.06 0.35 0.00 4.77 -1.00 -0.54 -0.40 116.94 120.18 3h17 h PHE 184 Ca 0.64 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.43 3h17 h PHE 184 Cb 2.38 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 41.82 3h17 h PHE 184 CO -0.00 0.19 0.00 1.63 -1.61 0.00 0.00 178.31 178.51 3h17 n LYS 185 N -4.47 0.00 -0.20 1.51 5.02 0.55 -3.91 118.16 116.66 3h17 n LYS 185 Ca 0.06 0.03 0.15 0.00 -2.02 0.00 0.00 58.31 56.54 3h17 n LYS 185 Cb 0.27 -0.29 0.29 0.00 -0.02 0.00 0.00 35.03 35.28 3h17 n LYS 185 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3h17 n THR 186 N -1.22 -0.25 1.03 -0.18 -2.24 -0.08 -0.65 114.28 110.69 3h17 n THR 186 Ca 0.00 1.26 0.12 0.00 -2.27 0.00 0.00 64.05 63.16 3h17 n THR 186 Cb 0.00 -1.96 0.11 0.00 -2.10 0.00 0.00 70.33 66.38 3h17 n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h17 n ARG 187 N -4.51 2.16 -0.03 -0.78 5.12 -0.16 -4.61 116.66 113.85 3h17 n ARG 187 Ca 0.20 -1.76 -0.11 0.00 -1.93 0.00 0.00 57.85 54.24 3h17 n ARG 187 Cb 0.66 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 30.44 3h17 n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h17 h ALA 188 N 4.59 0.16 -0.40 7.54 0.00 -0.90 -2.83 119.26 127.41 3h17 h ALA 188 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h17 h ALA 188 Cb 0.94 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3h17 h ALA 188 CO 0.00 -0.23 0.27 0.93 0.00 0.00 0.00 179.25 180.22 3h17 h GLU 189 N 0.01 0.45 0.00 0.00 5.08 -1.81 -2.82 114.58 115.48 3h17 h GLU 189 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h17 h GLU 189 Cb 0.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3h17 h GLU 189 CO -0.00 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 3h17 n ALA 190 N -2.49 2.20 -2.79 3.43 0.00 -1.08 -4.89 120.51 114.90 3h17 n ALA 190 Ca 0.04 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 3h17 n ALA 190 Cb 0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 3h17 n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h17 s ASP 191 N -3.16 6.46 -0.15 0.00 2.15 -1.07 -4.76 116.67 116.14 3h17 s ASP 191 Ca 0.12 0.49 -0.00 0.00 0.43 0.00 0.00 52.55 53.59 3h17 s ASP 191 Cb 0.17 -2.06 0.04 0.00 -0.30 0.00 0.00 42.92 40.76 3h17 s ASP 191 CO 0.49 0.21 -0.07 -2.16 -0.17 0.00 0.00 175.17 173.47 3h17 s PRO 192 N -2.04 1.56 -0.24 4.34 0.04 -1.26 -5.00 135.00 132.41 3h17 s PRO 192 Ca 0.31 -0.48 -0.05 0.00 0.04 0.00 0.00 61.00 60.82 3h17 s PRO 192 Cb -0.13 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3h17 s PRO 192 CO 0.20 -0.38 0.01 0.20 0.04 0.00 0.00 177.00 177.07 3h17 s GLY 197 N 1.62 1.68 0.44 0.56 0.00 -1.26 -4.82 107.32 105.54 3h17 s GLY 197 Ca 0.02 -1.19 0.16 0.00 0.00 0.00 0.00 44.72 43.71 3h17 s GLY 197 CO -0.08 0.49 1.95 -1.33 0.00 0.00 0.00 173.10 174.13 3h17 h GLY 198 N 8.16 0.00 2.00 0.20 0.00 -2.00 0.32 103.07 111.75 3h17 h GLY 198 Ca -0.39 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3h17 h GLY 198 CO 0.59 0.00 -0.28 1.19 0.00 0.00 0.00 176.54 178.05 3h17 h ILE 199 N 0.00 1.01 -0.05 2.60 2.10 -2.02 -3.00 117.51 118.16 3h17 h ILE 199 Ca -0.00 -1.01 -0.19 0.00 1.08 0.00 0.00 64.86 64.74 3h17 h ILE 199 Cb 0.44 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 3h17 h ILE 199 CO 0.03 0.27 -0.77 0.78 -1.08 0.00 0.00 178.15 177.38 3h17 h ASN 200 N 0.00 0.41 -0.90 2.19 2.35 -0.81 -2.98 115.58 115.85 3h17 h ASN 200 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3h17 h ASN 200 Cb 0.55 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 3h17 h ASN 200 CO 0.04 1.03 0.58 0.50 -1.65 0.00 0.00 177.43 177.92 3h17 h LYS 201 N 0.22 1.20 -0.74 0.81 1.63 -1.31 -1.89 116.57 116.48 3h17 h LYS 201 Ca -0.04 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 3h17 h LYS 201 Cb 1.36 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 32.69 3h17 h LYS 201 CO 0.13 0.81 0.33 0.52 -3.45 0.00 0.00 179.45 177.78 3h17 h MET 202 N 1.23 1.08 -0.47 1.90 2.86 -1.52 0.18 114.93 120.19 3h17 h MET 202 Ca 0.33 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.89 3h17 h MET 202 Cb -0.11 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.28 3h17 h MET 202 CO -0.07 0.85 -0.00 0.00 1.06 0.00 0.00 176.91 178.76 3h17 h ALA 203 N 1.29 0.43 -0.27 6.32 0.00 -1.24 0.76 119.26 126.56 3h17 h ALA 203 Ca 0.25 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3h17 h ALA 203 Cb 0.15 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h17 h ALA 203 CO -0.03 -0.39 -0.19 0.00 0.00 0.00 0.00 179.25 178.64 3h17 h ALA 204 N 1.41 1.17 -0.00 0.00 0.00 -0.44 1.48 119.26 122.88 3h17 h ALA 204 Ca 0.23 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3h17 h ALA 204 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3h17 h ALA 204 CO -0.39 0.53 -0.73 0.00 0.00 0.00 0.00 179.25 178.66 3h17 h ARG 205 N 0.44 0.00 0.14 0.00 3.08 -0.18 0.05 114.38 117.91 3h17 h ARG 205 Ca 0.07 -0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.76 3h17 h ARG 205 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3h17 h ARG 205 CO 0.04 0.74 -1.92 -0.92 -1.07 0.00 0.00 179.97 176.84 3h17 h TYR 206 N 0.00 0.52 -0.22 3.04 3.20 0.23 -3.36 116.97 120.38 3h17 h TYR 206 Ca -0.01 -0.38 -0.06 0.00 3.14 0.00 0.00 58.73 61.42 3h17 h TYR 206 Cb 1.30 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3h17 h TYR 206 CO 0.00 1.76 -0.11 -0.07 -1.64 0.00 0.00 178.16 178.10 3h17 h LEU 207 N 0.04 0.47 -1.31 2.82 3.38 0.17 -0.27 115.31 120.63 3h17 h LEU 207 Ca -0.40 -0.41 -0.47 0.00 0.09 0.00 0.00 57.88 56.68 3h17 h LEU 207 Cb 2.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 3h17 h LEU 207 CO 0.10 0.78 -0.80 -3.20 0.09 0.00 0.00 178.44 175.42 3h17 n ASN 208 N -4.53 -3.22 0.00 -0.43 5.15 0.00 -1.91 115.26 110.32 3h17 n ASN 208 Ca -0.05 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 3h17 n ASN 208 Cb 0.34 -3.78 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 3h17 n ASN 208 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h17 n GLY 209 N -1.67 0.81 3.83 8.20 0.00 -1.26 -5.05 105.19 110.05 3h17 n GLY 209 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3h17 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h17 s ALA 210 N -3.16 2.86 -0.49 4.61 0.00 -0.80 -4.96 121.76 119.82 3h17 s ALA 210 Ca 0.00 0.09 -0.46 0.00 0.00 0.00 0.00 51.96 51.59 3h17 s ALA 210 Cb 0.00 -3.15 -0.20 0.00 0.00 0.00 0.00 23.12 19.77 3h17 s ALA 210 CO 0.00 -0.88 1.65 -3.47 0.00 0.00 0.00 175.76 173.06 3h17 n ASP 211 N -2.65 1.23 0.00 0.00 -0.08 -1.26 -4.84 116.55 108.96 3h17 n ASP 211 Ca 0.07 1.14 0.13 0.00 -1.51 0.00 0.00 54.79 54.63 3h17 n ASP 211 Cb 0.54 -0.89 0.58 0.00 2.34 0.00 0.00 41.12 43.69 3h17 n ASP 211 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h17 n ALA 212 N 4.34 2.27 -0.95 -1.67 0.00 -1.26 -1.82 120.51 121.42 3h17 n ALA 212 Ca 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 3h17 n ALA 212 Cb -0.05 -1.45 0.34 0.00 0.00 0.00 0.00 19.45 18.29 3h17 n ALA 212 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h17 n LYS 213 N -1.53 4.10 -2.43 0.00 5.02 -1.26 -4.07 118.16 117.99 3h17 n LYS 213 Ca 0.07 -3.05 -0.42 0.00 -2.02 0.00 0.00 58.31 52.88 3h17 n LYS 213 Cb 0.33 -2.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 3h17 n LYS 213 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3h17 s HIS 214 N -2.87 3.29 0.36 2.13 2.46 -0.76 -4.85 115.29 115.05 3h17 s HIS 214 Ca 0.54 1.23 0.16 0.00 0.47 0.00 0.00 55.06 57.46 3h17 s HIS 214 Cb 0.43 -3.44 1.07 0.00 -0.13 0.00 0.00 32.58 30.51 3h17 s HIS 214 CO 0.14 -1.37 1.72 -1.35 -2.47 0.00 0.00 174.74 171.41 3h17 h PRO 215 N 7.17 0.39 0.00 2.88 0.11 -1.82 0.64 132.00 141.37 3h17 h PRO 215 Ca -0.38 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 3h17 h PRO 215 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3h17 h PRO 215 CO 0.85 0.26 -0.52 1.88 -0.21 0.00 0.00 178.00 180.26 3h17 h TYR 216 N 0.40 0.00 0.19 0.65 0.99 -1.90 -2.73 116.97 114.57 3h17 h TYR 216 Ca 0.67 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 61.12 3h17 h TYR 216 Cb 1.57 0.00 0.02 0.00 1.00 0.00 0.00 36.73 39.33 3h17 h TYR 216 CO -0.01 0.38 -1.28 0.00 -0.00 0.00 0.00 178.16 177.25 3h17 h ALA 217 N 1.62 -0.04 -2.57 3.88 0.00 -0.30 -3.44 119.26 118.41 3h17 h ALA 217 Ca -0.02 -0.88 -0.58 0.00 0.00 0.00 0.00 54.91 53.43 3h17 h ALA 217 Cb 1.30 0.24 -0.39 0.00 0.00 0.00 0.00 17.79 18.95 3h17 h ALA 217 CO 0.05 0.65 -0.85 -1.12 0.00 0.00 0.00 179.25 177.98 3h17 s SER 218 N -7.25 2.91 0.00 0.00 0.01 0.12 -4.64 113.70 104.84 3h17 s SER 218 Ca -0.13 -2.20 0.29 0.00 1.31 0.00 0.00 55.95 55.22 3h17 s SER 218 Cb 0.03 -0.38 1.40 0.00 0.21 0.00 0.00 66.02 67.28 3h17 s SER 218 CO 0.87 -0.31 1.99 -2.65 0.41 0.00 0.00 173.24 173.55 3h17 n PRO 219 N 4.02 0.28 0.08 12.44 -0.02 -1.03 -2.10 135.00 148.68 3h17 n PRO 219 Ca 0.12 0.01 0.09 0.00 -2.02 0.00 0.00 63.50 61.70 3h17 n PRO 219 Cb 0.37 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.75 3h17 n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3h17 n ASN 220 N -1.35 0.39 -1.75 2.55 4.13 -1.00 -2.16 115.26 116.06 3h17 n ASN 220 Ca 0.12 0.62 -0.17 0.00 1.68 0.00 0.00 54.58 56.82 3h17 n ASN 220 Cb 0.27 -0.69 0.15 0.00 -1.54 0.00 0.00 39.78 37.97 3h17 n ASN 220 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3h17 n PHE 221 N -1.95 2.17 -4.00 3.10 3.01 -0.89 -4.95 117.46 113.95 3h17 n PHE 221 Ca 0.02 -2.01 -0.23 0.00 1.01 0.00 0.00 57.45 56.23 3h17 n PHE 221 Cb 0.16 -0.76 -0.06 0.00 -0.01 0.00 0.00 39.48 38.81 3h17 n PHE 221 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h17 s ALA 222 N -3.42 3.64 -0.37 4.37 0.00 -0.92 -4.62 121.76 120.44 3h17 s ALA 222 Ca 0.52 -1.93 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 3h17 s ALA 222 Cb 0.44 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3h17 s ALA 222 CO 0.03 -0.08 0.77 1.21 0.00 0.00 0.00 175.76 177.68 3h17 s ASN 223 N -3.92 6.53 0.00 0.00 3.04 -1.26 -4.89 114.94 114.44 3h17 s ASN 223 Ca 0.41 0.30 0.24 0.00 0.04 0.00 0.00 52.86 53.85 3h17 s ASN 223 Cb -0.01 -2.39 0.51 0.00 -1.54 0.00 0.00 41.25 37.82 3h17 s ASN 223 CO 0.24 -0.73 1.44 0.18 -3.04 0.00 0.00 177.10 175.18 3h17 n LEU 224 N 6.40 2.71 -4.63 3.21 4.77 -1.26 -4.87 117.00 123.32 3h17 n LEU 224 Ca 0.03 -1.06 -0.48 0.00 -0.03 0.00 0.00 56.01 54.46 3h17 n LEU 224 Cb 0.48 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3h17 n LEU 224 CO 0.54 0.53 1.59 1.17 -1.33 0.00 0.00 177.39 179.88 3h17 n LYS 225 N 1.04 1.94 0.00 3.23 0.00 -1.26 -2.25 118.16 120.87 3h17 n LYS 225 Ca 0.17 0.67 0.00 0.00 0.00 0.00 0.00 58.31 59.15 3h17 n LYS 225 Cb 0.52 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.88 3h17 n LYS 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h17 n GLY 226 N 4.93 1.38 3.81 3.14 0.00 -1.26 -5.11 105.19 112.08 3h17 n GLY 226 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 3h17 n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h17 s LEU 227 N 0.00 2.79 0.76 0.99 1.43 -0.95 -4.95 118.68 118.75 3h17 s LEU 227 Ca 0.00 1.44 -0.09 0.00 -1.03 0.00 0.00 54.13 54.45 3h17 s LEU 227 Cb 0.00 -4.14 0.08 0.00 0.03 0.00 0.00 46.19 42.16 3h17 s LEU 227 CO 0.00 -1.80 1.09 -2.16 0.23 0.00 0.00 176.35 173.71 3h17 s PRO 228 N -5.10 1.98 0.25 1.29 0.05 -1.26 -4.80 135.00 127.40 3h17 s PRO 228 Ca 0.60 -0.20 -0.31 0.00 0.05 0.00 0.00 61.00 61.14 3h17 s PRO 228 Cb -0.14 -2.09 -0.13 0.00 0.05 0.00 0.00 34.50 32.19 3h17 s PRO 228 CO 0.55 -1.45 1.38 -2.30 0.05 0.00 0.00 177.00 175.23 3h17 n PRO 229 N -3.10 2.03 -4.81 0.56 -0.02 -1.26 -4.68 135.00 123.72 3h17 n PRO 229 Ca 0.09 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 3h17 n PRO 229 Cb 0.61 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 3h17 n PRO 229 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h17 s LEU 230 N -0.05 2.71 -0.07 2.45 1.02 0.22 -1.26 118.68 123.70 3h17 s LEU 230 Ca 0.66 -0.26 0.03 0.00 0.02 0.00 0.00 54.13 54.57 3h17 s LEU 230 Cb -0.64 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.02 3h17 s LEU 230 CO 0.52 0.31 -0.15 -0.22 0.02 0.00 0.00 176.35 176.83 3h17 s LEU 231 N -0.98 1.74 -0.12 1.79 0.20 -0.87 -2.12 118.68 118.32 3h17 s LEU 231 Ca 0.13 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 54.60 3h17 s LEU 231 Cb -0.11 -0.95 0.02 0.00 -0.43 0.00 0.00 46.19 44.73 3h17 s LEU 231 CO 0.02 0.06 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.39 3h17 s ILE 232 N 0.60 1.31 0.10 6.68 1.01 -0.17 -3.40 121.20 127.33 3h17 s ILE 232 Ca -0.15 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3h17 s ILE 232 Cb -0.16 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3h17 s ILE 232 CO 0.05 0.41 0.05 -1.00 0.00 0.00 0.00 174.94 174.45 3h17 s HIS 233 N 1.35 3.08 0.00 3.97 3.76 -1.11 -0.13 115.29 126.21 3h17 s HIS 233 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 3h17 s HIS 233 Cb -0.14 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 31.99 3h17 s HIS 233 CO -0.06 0.50 0.00 1.55 -0.85 0.00 0.00 174.74 175.89 3h17 n VAL 234 N 0.37 0.00 -4.12 -0.90 3.14 -1.24 -0.93 118.33 114.65 3h17 n VAL 234 Ca -0.09 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.93 3h17 n VAL 234 Cb 0.52 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.22 3h17 n VAL 234 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3h17 s GLY 235 N 0.00 1.97 0.30 7.55 0.00 -1.26 -0.91 107.32 114.97 3h17 s GLY 235 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.05 3h17 s GLY 235 CO 0.00 -0.36 1.76 -0.09 0.00 0.00 0.00 173.10 174.41 3h17 h ARG 236 N 5.44 0.68 -2.35 2.90 9.65 -1.40 -3.06 114.38 126.23 3h17 h ARG 236 Ca -0.49 -0.04 -0.71 0.00 -1.10 0.00 0.00 59.98 57.64 3h17 h ARG 236 Cb 1.20 -0.15 -0.18 0.00 -1.39 0.00 0.00 29.97 29.45 3h17 h ARG 236 CO 0.59 0.45 1.58 -0.25 2.80 0.00 0.00 179.97 185.14 3h17 n ASP 237 N -4.81 7.54 -3.91 -3.80 9.92 -0.25 -4.87 116.55 116.36 3h17 n ASP 237 Ca 0.23 -3.34 -0.10 0.00 -0.53 0.00 0.00 54.79 51.05 3h17 n ASP 237 Cb 0.60 -1.27 -0.10 0.00 -0.64 0.00 0.00 41.12 39.71 3h17 n ASP 237 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3h17 s GLU 238 N -2.26 0.41 0.56 -1.24 -1.05 -1.16 -3.85 118.70 110.11 3h17 s GLU 238 Ca 0.51 -0.45 0.37 0.00 -0.15 0.00 0.00 54.97 55.26 3h17 s GLU 238 Cb 0.25 0.17 1.84 0.00 -0.44 0.00 0.00 34.13 35.94 3h17 s GLU 238 CO -0.16 -0.09 2.12 -0.24 0.95 0.00 0.00 175.26 177.84 3h17 h VAL 239 N 4.42 0.00 -0.58 1.83 3.04 -1.79 -2.41 116.25 120.76 3h17 h VAL 239 Ca -0.31 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3h17 h VAL 239 Cb 1.20 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 3h17 h VAL 239 CO 0.41 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.15 3h17 n LEU 240 N -2.92 4.66 -0.16 3.16 4.77 -1.26 -3.26 117.00 121.99 3h17 n LEU 240 Ca -0.01 -2.52 -0.05 0.00 -0.03 0.00 0.00 56.01 53.40 3h17 n LEU 240 Cb 0.15 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3h17 n LEU 240 CO 0.21 0.78 1.01 0.25 -1.33 0.00 0.00 177.39 178.31 3h17 h LEU 241 N 3.70 0.34 -0.50 2.23 7.12 -1.71 -2.96 115.31 123.54 3h17 h LEU 241 Ca 0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 3h17 h LEU 241 Cb 1.46 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.53 3h17 h LEU 241 CO 0.24 0.24 0.33 0.44 -0.13 0.00 0.00 178.44 179.56 3h17 h ASP 242 N 0.47 0.57 -0.94 1.25 3.32 -1.86 0.12 116.42 119.36 3h17 h ASP 242 Ca 0.22 -0.02 0.28 0.00 0.02 0.00 0.00 57.03 57.53 3h17 h ASP 242 Cb 0.13 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 39.39 3h17 h ASP 242 CO -0.16 0.42 0.33 0.44 -1.72 0.00 0.00 179.24 178.55 3h17 h ASP 243 N 0.68 0.12 0.52 6.45 3.45 -1.85 -0.68 116.42 125.11 3h17 h ASP 243 Ca 0.18 0.21 -0.15 0.00 0.43 0.00 0.00 57.03 57.71 3h17 h ASP 243 Cb -0.08 0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 3h17 h ASP 243 CO -0.04 -0.21 -0.65 0.28 -1.57 0.00 0.00 179.24 177.05 3h17 h SER 244 N 0.19 0.14 0.85 6.45 0.02 -0.75 -1.84 113.55 118.61 3h17 h SER 244 Ca 0.64 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 61.33 3h17 h SER 244 Cb 1.41 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 3h17 h SER 244 CO -0.69 0.75 -0.81 0.40 -1.14 0.00 0.00 176.83 175.34 3h17 h ILE 245 N 0.09 1.56 0.00 3.27 2.04 -0.75 -2.62 117.51 121.10 3h17 h ILE 245 Ca -0.01 -2.80 -0.20 0.00 1.00 0.00 0.00 64.86 62.86 3h17 h ILE 245 Cb 1.17 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.73 3h17 h ILE 245 CO 0.09 0.79 -1.06 0.11 0.00 0.00 0.00 178.15 178.09 3h17 h LYS 246 N 0.00 0.00 -0.29 2.37 1.57 -1.35 0.06 116.57 118.93 3h17 h LYS 246 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3h17 h LYS 246 Cb 1.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 3h17 h LYS 246 CO 0.11 0.72 0.01 1.25 -0.57 0.00 0.00 179.45 180.96 3h17 h LEU 247 N 0.00 0.40 0.02 2.94 5.85 -1.12 -1.32 115.31 122.07 3h17 h LEU 247 Ca -0.08 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3h17 h LEU 247 Cb 1.71 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.64 3h17 h LEU 247 CO 0.10 0.46 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.64 3h17 h ASP 248 N 0.42 0.18 -0.67 1.25 3.58 -1.03 -2.27 116.42 117.88 3h17 h ASP 248 Ca 0.09 -0.86 0.12 0.00 0.42 0.00 0.00 57.03 56.80 3h17 h ASP 248 Cb 0.27 -0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.14 3h17 h ASP 248 CO 0.01 1.02 -0.31 0.00 -2.88 0.00 0.00 179.24 177.07 3h17 h ALA 249 N 0.16 0.08 -0.10 -0.78 0.00 -0.80 -0.99 119.26 116.84 3h17 h ALA 249 Ca -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3h17 h ALA 249 Cb 1.07 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 3h17 h ALA 249 CO 0.05 -0.62 0.02 -0.22 0.00 0.00 0.00 179.25 178.48 3h17 h LYS 250 N -0.11 0.16 -0.61 0.00 1.63 -1.20 0.44 116.57 116.87 3h17 h LYS 250 Ca 0.27 -0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.15 3h17 h LYS 250 Cb 0.56 -0.02 -0.12 0.00 -0.60 0.00 0.00 32.23 32.05 3h17 h LYS 250 CO -0.73 0.36 -0.17 0.00 -3.45 0.00 0.00 179.45 175.46 3h17 h ALA 251 N 0.79 0.38 0.22 5.00 0.00 -1.22 1.80 119.26 126.23 3h17 h ALA 251 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h17 h ALA 251 Cb 0.27 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3h17 h ALA 251 CO 0.00 -0.44 -0.23 0.87 0.00 0.00 0.00 179.25 179.45 3h17 h LYS 252 N -0.01 -0.43 -0.64 0.00 1.79 -0.76 0.54 116.57 117.06 3h17 h LYS 252 Ca 0.29 0.03 0.20 0.00 -2.18 0.00 0.00 60.65 59.00 3h17 h LYS 252 Cb 0.46 0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 31.09 3h17 h LYS 252 CO -0.64 -0.29 0.11 0.00 -1.08 0.00 0.00 179.45 177.56 3h17 n ALA 253 N -2.51 0.43 0.71 3.86 0.00 0.11 -1.39 120.51 121.71 3h17 n ALA 253 Ca -0.05 0.68 0.11 0.00 0.00 0.00 0.00 53.44 54.17 3h17 n ALA 253 Cb 0.21 -0.55 0.28 0.00 0.00 0.00 0.00 19.45 19.39 3h17 n ALA 253 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h17 n ASP 254 N -4.73 2.59 0.00 0.00 8.00 0.61 -4.88 116.55 118.14 3h17 n ASP 254 Ca 0.18 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.80 3h17 n ASP 254 Cb 0.59 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 3h17 n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h17 n GLY 255 N 1.32 0.70 3.80 0.44 0.00 0.16 -4.02 105.19 107.58 3h17 n GLY 255 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3h17 n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h17 s VAL 256 N -2.07 4.43 0.13 1.61 1.01 0.98 -4.94 120.40 121.54 3h17 s VAL 256 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 3h17 s VAL 256 Cb 0.00 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 3h17 s VAL 256 CO 0.00 0.31 1.13 -0.54 0.00 0.00 0.00 175.10 176.00 3h17 s LYS 257 N -1.70 4.53 0.15 2.72 -0.14 -1.26 -3.92 119.74 120.11 3h17 s LYS 257 Ca 0.42 1.73 -0.13 0.00 -1.36 0.00 0.00 55.97 56.63 3h17 s LYS 257 Cb -0.19 -3.31 0.01 0.00 -1.68 0.00 0.00 37.83 32.66 3h17 s LYS 257 CO 0.23 -0.06 0.35 -1.12 -0.76 0.00 0.00 175.35 173.99 3h17 s SER 258 N 0.38 -0.08 -0.15 2.83 0.01 -1.25 -0.61 113.70 114.82 3h17 s SER 258 Ca 0.53 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 3h17 s SER 258 Cb -0.29 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.44 3h17 s SER 258 CO 0.33 -0.89 -0.00 -0.89 0.41 0.00 0.00 173.24 172.19 3h17 s THR 259 N -3.88 0.68 -0.05 1.44 2.01 -0.90 -4.95 115.64 109.99 3h17 s THR 259 Ca 0.09 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 3h17 s THR 259 Cb 0.02 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 3h17 s THR 259 CO -0.06 0.04 0.61 -0.22 -0.69 0.00 0.00 174.62 174.30 3h17 s LEU 260 N 1.82 4.35 -0.50 4.42 0.20 -1.26 -1.00 118.68 126.71 3h17 s LEU 260 Ca 0.01 1.11 0.03 0.00 0.69 0.00 0.00 54.13 55.97 3h17 s LEU 260 Cb -0.15 -2.94 0.13 0.00 -0.43 0.00 0.00 46.19 42.80 3h17 s LEU 260 CO -0.07 0.00 0.25 -1.61 -0.29 0.00 0.00 176.35 174.63 3h17 s GLU 261 N 0.33 1.79 -0.31 1.98 2.02 0.81 -4.95 118.70 120.37 3h17 s GLU 261 Ca 0.32 -2.45 -0.29 0.00 0.02 0.00 0.00 54.97 52.58 3h17 s GLU 261 Cb -0.17 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 3h17 s GLU 261 CO 0.16 -1.12 1.47 0.42 0.02 0.00 0.00 175.26 176.21 3h17 s ILE 262 N -0.10 3.89 -0.13 -1.63 1.01 -1.26 -3.73 121.20 119.24 3h17 s ILE 262 Ca 0.17 0.97 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 3h17 s ILE 262 Cb -0.26 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3h17 s ILE 262 CO -0.00 -0.49 0.55 0.26 0.00 0.00 0.00 174.94 175.25 3h17 s TRP 263 N 5.13 3.48 0.55 3.97 0.52 -0.09 -4.80 118.94 127.70 3h17 s TRP 263 Ca 0.64 0.94 -0.10 0.00 0.02 0.00 0.00 56.10 57.60 3h17 s TRP 263 Cb -0.19 -2.65 -0.05 0.00 -1.15 0.00 0.00 33.47 29.43 3h17 s TRP 263 CO 0.28 0.06 0.93 -0.51 0.02 0.00 0.00 176.95 177.73 3h17 s ASP 264 N 0.82 6.32 0.00 2.95 1.01 -1.26 -1.60 116.67 124.92 3h17 s ASP 264 Ca 0.28 1.28 0.00 0.00 0.71 0.00 0.00 52.55 54.82 3h17 s ASP 264 Cb -0.16 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3h17 s ASP 264 CO 0.12 -0.70 0.00 0.47 0.21 0.00 0.00 175.17 175.26 3h17 n ASP 265 N -2.30 -2.99 -4.87 0.27 8.00 -1.26 -4.87 116.55 108.52 3h17 n ASP 265 Ca 0.04 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.24 3h17 n ASP 265 Cb 0.54 -2.30 -0.03 0.00 -0.02 0.00 0.00 41.12 39.31 3h17 n ASP 265 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3h17 s MET 266 N -1.17 3.79 0.36 -1.24 -1.94 -1.19 -4.85 119.30 113.05 3h17 s MET 266 Ca 0.00 0.58 0.08 0.00 -1.71 0.00 0.00 55.69 54.64 3h17 s MET 266 Cb 0.00 -2.31 -0.07 0.00 2.01 0.00 0.00 34.83 34.46 3h17 s MET 266 CO 0.00 -0.14 -0.05 0.96 -0.01 0.00 0.00 175.02 175.78 3h17 s ILE 267 N -2.52 2.05 -0.30 2.53 -4.36 -1.26 -1.09 121.20 116.25 3h17 s ILE 267 Ca 0.53 -2.12 -0.35 0.00 -0.26 0.00 0.00 60.65 58.44 3h17 s ILE 267 Cb -0.10 -2.74 -0.16 0.00 1.25 0.00 0.00 42.46 40.71 3h17 s ILE 267 CO 0.34 -0.14 1.15 1.57 0.24 0.00 0.00 174.94 178.10 3h17 n HIS 268 N -0.82 1.17 -4.00 1.37 -0.00 -1.26 -1.83 115.22 109.85 3h17 n HIS 268 Ca -0.05 0.88 -0.29 0.00 -0.00 0.00 0.00 57.72 58.26 3h17 n HIS 268 Cb 0.65 -1.72 -0.03 0.00 -0.00 0.00 0.00 29.99 28.89 3h17 n HIS 268 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3h17 n VAL 269 N 2.68 -2.99 0.30 3.57 0.31 -1.26 -4.76 118.33 116.18 3h17 n VAL 269 Ca 0.22 -0.57 0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3h17 n VAL 269 Cb -0.02 -2.51 0.73 0.00 -0.91 0.00 0.00 33.84 31.13 3h17 n VAL 269 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3h17 h TRP 270 N -1.90 0.00 -1.21 3.52 0.09 -1.78 0.23 115.95 114.90 3h17 h TRP 270 Ca -0.65 0.00 0.35 0.00 0.09 0.00 0.00 58.89 58.68 3h17 h TRP 270 Cb 1.38 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.57 3h17 h TRP 270 CO 0.46 0.00 0.89 0.45 0.09 0.00 0.00 178.44 180.34 3h17 h HIS 271 N 0.00 0.00 0.00 0.12 3.86 -1.86 0.29 115.15 117.56 3h17 h HIS 271 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h17 h HIS 271 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3h17 h HIS 271 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 3h17 n ALA 272 N -2.75 2.31 -0.95 2.45 0.00 0.81 -1.86 120.51 120.52 3h17 n ALA 272 Ca 0.26 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.67 3h17 n ALA 272 Cb 1.29 -1.47 0.36 0.00 0.00 0.00 0.00 19.45 19.63 3h17 n ALA 272 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h17 n PHE 273 N -1.62 1.84 -0.32 0.00 3.01 0.10 -4.57 117.46 115.91 3h17 n PHE 273 Ca 0.07 -0.83 0.26 0.00 1.01 0.00 0.00 57.45 57.96 3h17 n PHE 273 Cb 0.35 -0.49 0.57 0.00 -0.01 0.00 0.00 39.48 39.91 3h17 n PHE 273 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 3h17 h HIS 274 N 3.30 0.48 0.00 1.38 2.07 -1.46 -0.86 115.15 120.07 3h17 h HIS 274 Ca 0.03 0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.54 3h17 h HIS 274 Cb 1.89 -0.14 -0.00 0.00 2.57 0.00 0.00 27.41 31.73 3h17 h HIS 274 CO 0.97 0.03 -0.11 -1.35 -3.07 0.00 0.00 177.93 174.41 3h17 h PRO 275 N 0.28 0.00 -0.02 5.12 0.11 -1.87 -3.03 132.00 132.59 3h17 h PRO 275 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3h17 h PRO 275 Cb 1.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.82 3h17 h PRO 275 CO -0.23 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 177.67 3h17 n MET 276 N -4.26 2.99 -3.82 1.05 0.00 -0.42 -5.02 117.12 107.64 3h17 n MET 276 Ca -0.03 -1.53 -0.29 0.00 0.00 0.00 0.00 57.70 55.85 3h17 n MET 276 Cb 0.18 -1.02 -0.16 0.00 0.00 0.00 0.00 33.22 32.23 3h17 n MET 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3h17 s LEU 277 N -1.00 1.97 0.30 3.17 2.96 -0.63 -4.97 118.68 120.47 3h17 s LEU 277 Ca 0.01 -1.12 0.02 0.00 -0.22 0.00 0.00 54.13 52.82 3h17 s LEU 277 Cb 0.01 -0.89 0.58 0.00 0.50 0.00 0.00 46.19 46.39 3h17 s LEU 277 CO 0.01 -0.30 1.86 -0.65 -1.32 0.00 0.00 176.35 175.95 3h17 h PRO 278 N 8.09 0.95 0.00 0.98 0.11 -1.88 0.16 132.00 140.41 3h17 h PRO 278 Ca -0.16 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3h17 h PRO 278 Cb 1.08 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 3h17 h PRO 278 CO 0.39 0.63 -0.16 0.93 -0.21 0.00 0.00 178.00 179.58 3h17 h GLU 279 N 0.97 0.00 -0.07 1.05 3.07 -1.96 -1.03 114.58 116.62 3h17 h GLU 279 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 3h17 h GLU 279 Cb 0.43 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3h17 h GLU 279 CO -0.22 0.16 0.04 0.78 -1.40 0.00 0.00 179.01 178.37 3h17 h GLY 280 N 1.08 0.10 1.07 -3.84 0.00 -0.90 0.25 103.07 100.82 3h17 h GLY 280 Ca -0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 3h17 h GLY 280 CO 0.02 0.04 -0.65 1.70 0.00 0.00 0.00 176.54 177.65 3h17 h LYS 281 N 0.07 0.71 0.00 4.80 3.64 -0.81 -2.63 116.57 122.35 3h17 h LYS 281 Ca 0.02 -0.56 -0.20 0.00 -1.27 0.00 0.00 60.65 58.65 3h17 h LYS 281 Cb 0.02 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3h17 h LYS 281 CO -0.00 1.18 -0.94 1.96 -2.27 0.00 0.00 179.45 179.37 3h17 h GLN 282 N 0.42 0.00 -0.57 1.90 4.20 -1.11 -1.50 115.11 118.44 3h17 h GLN 282 Ca -0.04 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3h17 h GLN 282 Cb 1.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 3h17 h GLN 282 CO 0.14 0.94 -0.05 0.00 -0.67 0.00 0.00 178.83 179.18 3h17 h ALA 283 N 1.06 0.82 0.24 3.87 0.00 -0.23 -2.13 119.26 122.89 3h17 h ALA 283 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3h17 h ALA 283 Cb 1.69 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3h17 h ALA 283 CO 0.12 0.67 -0.11 0.82 0.00 0.00 0.00 179.25 180.75 3h17 h ILE 284 N 0.93 0.81 -1.18 0.00 2.04 -1.41 -0.88 117.51 117.83 3h17 h ILE 284 Ca 0.16 -0.27 0.35 0.00 1.00 0.00 0.00 64.86 66.10 3h17 h ILE 284 Cb 0.61 0.97 -0.11 0.00 -0.74 0.00 0.00 36.82 37.55 3h17 h ILE 284 CO 0.04 0.06 0.76 0.58 0.00 0.00 0.00 178.15 179.59 3h17 h VAL 285 N -0.45 0.31 0.00 1.67 2.07 -1.15 0.99 116.25 119.70 3h17 h VAL 285 Ca -0.03 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3h17 h VAL 285 Cb 0.34 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3h17 h VAL 285 CO 0.05 0.04 -0.84 -0.09 0.02 0.00 0.00 177.57 176.76 3h17 h ARG 286 N 0.23 0.00 -0.23 1.57 9.65 -0.57 -0.62 114.38 124.41 3h17 h ARG 286 Ca 0.71 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.49 3h17 h ARG 286 Cb 2.05 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.63 3h17 h ARG 286 CO -0.36 0.08 -0.24 0.28 2.80 0.00 0.00 179.97 182.53 3h17 h VAL 287 N 0.00 1.32 -0.35 0.20 2.07 0.46 -1.61 116.25 118.35 3h17 h VAL 287 Ca -0.03 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.14 3h17 h VAL 287 Cb 1.12 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.55 3h17 h VAL 287 CO 0.01 0.44 0.00 1.23 0.02 0.00 0.00 177.57 179.27 3h17 h GLY 288 N 0.26 0.34 0.98 2.17 0.00 -0.94 -1.57 103.07 104.32 3h17 h GLY 288 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3h17 h GLY 288 CO 0.06 -0.08 0.25 0.83 0.00 0.00 0.00 176.54 177.61 3h17 h GLU 289 N 0.10 0.78 -0.28 4.80 5.08 -0.99 0.14 114.58 124.22 3h17 h GLU 289 Ca 0.17 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3h17 h GLU 289 Cb 0.23 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3h17 h GLU 289 CO -0.28 0.65 0.08 0.35 -1.00 0.00 0.00 179.01 178.81 3h17 h PHE 290 N 0.73 0.14 -0.04 4.33 3.04 -0.90 0.58 116.94 124.82 3h17 h PHE 290 Ca 0.18 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.97 3h17 h PHE 290 Cb 0.13 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 3h17 h PHE 290 CO -0.00 0.05 -0.76 0.00 -2.02 0.00 0.00 178.31 175.59 3h17 h MET 291 N 0.20 0.29 -0.46 1.11 -0.00 -1.13 -0.97 114.93 113.97 3h17 h MET 291 Ca 0.13 -0.25 0.00 0.00 -0.00 0.00 0.00 59.70 59.57 3h17 h MET 291 Cb 0.11 0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 31.75 3h17 h MET 291 CO -0.15 0.92 0.29 0.00 -0.00 0.00 0.00 176.91 177.97 3h17 h ARG 292 N 0.19 0.61 -0.58 -0.10 3.08 -0.32 0.24 114.38 117.50 3h17 h ARG 292 Ca -0.03 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.08 3h17 h ARG 292 Cb 1.33 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 3h17 h ARG 292 CO 0.12 0.43 0.12 1.49 -1.07 0.00 0.00 179.97 181.07 3h17 h GLU 293 N 0.61 0.25 -0.17 0.04 4.81 0.27 0.28 114.58 120.68 3h17 h GLU 293 Ca 0.17 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3h17 h GLU 293 Cb -0.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3h17 h GLU 293 CO -0.03 0.17 -0.50 1.96 -0.73 0.00 0.00 179.01 179.87 3h17 h GLN 294 N 0.26 0.46 -0.40 1.92 1.08 -0.48 -2.04 115.11 115.90 3h17 h GLN 294 Ca 0.30 -0.27 -0.14 0.00 -1.45 0.00 0.00 58.65 57.09 3h17 h GLN 294 Cb 0.43 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3h17 h GLN 294 CO -0.38 0.86 -0.31 -1.49 -0.95 0.00 0.00 178.83 176.55 3h17 h TRP 295 N 0.36 1.05 0.00 2.96 6.55 -0.06 -3.23 115.95 123.58 3h17 h TRP 295 Ca 0.02 -0.28 0.00 0.00 0.95 0.00 0.00 58.89 59.57 3h17 h TRP 295 Cb 1.01 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 29.08 3h17 h TRP 295 CO 0.03 1.09 0.00 0.00 -1.05 0.00 0.00 178.44 178.51 3h17 n ALA 296 N -2.53 1.21 1.51 1.49 0.00 0.95 -5.05 120.51 118.10 3h17 n ALA 296 Ca -0.01 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.62 3h17 n ALA 296 Cb 0.50 -1.17 0.53 0.00 0.00 0.00 0.00 19.45 19.31 3h17 n ALA 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50