#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ae6 s THR 3 N 0.00 1.10 -0.03 2.46 2.01 -1.26 -5.08 115.64 114.84 2ae6 s THR 3 Ca 0.00 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.56 2ae6 s THR 3 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2ae6 s THR 3 CO 0.00 0.34 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.51 2ae6 s SER 4 N 0.38 2.45 -0.14 3.53 0.15 -1.26 -5.05 113.70 113.77 2ae6 s SER 4 Ca -0.09 -0.39 -0.00 0.00 0.70 0.00 0.00 55.95 56.17 2ae6 s SER 4 Cb -0.13 -0.49 0.03 0.00 -1.71 0.00 0.00 66.02 63.72 2ae6 s SER 4 CO 0.02 0.22 -0.08 -0.22 1.20 0.00 0.00 173.24 174.39 2ae6 s LEU 5 N -0.24 1.41 -0.04 3.45 1.98 -1.26 -2.11 118.68 121.86 2ae6 s LEU 5 Ca 0.02 -0.46 0.06 0.00 -2.89 0.00 0.00 54.13 50.86 2ae6 s LEU 5 Cb -0.10 -0.91 -0.02 0.00 0.66 0.00 0.00 46.19 45.82 2ae6 s LEU 5 CO 0.01 -0.14 -0.22 -0.89 -1.89 0.00 0.00 176.35 173.22 2ae6 s THR 6 N 1.65 2.35 -0.10 3.68 2.01 0.27 -4.95 115.64 120.56 2ae6 s THR 6 Ca 0.03 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.09 2ae6 s THR 6 Cb -0.14 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.51 2ae6 s THR 6 CO -0.08 0.58 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.56 2ae6 s ILE 7 N -0.46 2.02 0.24 1.82 1.01 -1.26 0.57 121.20 125.15 2ae6 s ILE 7 Ca 0.05 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.50 2ae6 s ILE 7 Cb -0.12 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2ae6 s ILE 7 CO 0.01 0.55 0.65 0.00 0.00 0.00 0.00 174.94 176.15 2ae6 s ARG 8 N 0.35 1.61 0.47 2.79 1.70 -0.88 -4.96 118.95 120.04 2ae6 s ARG 8 Ca -0.19 -0.89 -0.25 0.00 -0.47 0.00 0.00 55.73 53.93 2ae6 s ARG 8 Cb -0.18 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 34.71 2ae6 s ARG 8 CO 0.09 -0.72 1.42 -1.17 -1.08 0.00 0.00 175.30 173.83 2ae6 s LEU 9 N -2.89 4.06 0.71 -1.89 2.96 -1.26 -0.53 118.68 119.83 2ae6 s LEU 9 Ca 0.10 2.90 -0.16 0.00 -0.22 0.00 0.00 54.13 56.74 2ae6 s LEU 9 Cb -0.04 -4.00 -0.00 0.00 0.50 0.00 0.00 46.19 42.65 2ae6 s LEU 9 CO 0.02 -1.27 0.93 0.55 -1.32 0.00 0.00 176.35 175.27 2ae6 n VAL 10 N -0.37 2.83 -4.18 1.68 3.14 -0.58 -4.73 118.33 116.12 2ae6 n VAL 10 Ca 0.06 -0.39 -0.16 0.00 -2.96 0.00 0.00 64.34 60.90 2ae6 n VAL 10 Cb 0.42 -1.08 -0.13 0.00 -1.06 0.00 0.00 33.84 31.99 2ae6 n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ae6 s ALA 11 N -1.80 0.63 0.27 1.55 0.00 -1.26 -5.04 121.76 116.12 2ae6 s ALA 11 Ca 0.73 -0.52 0.13 0.00 0.00 0.00 0.00 51.96 52.30 2ae6 s ALA 11 Cb -0.35 -0.08 0.94 0.00 0.00 0.00 0.00 23.12 23.63 2ae6 s ALA 11 CO 0.50 0.09 1.19 0.39 0.00 0.00 0.00 175.76 177.93 2ae6 n GLU 12 N 2.27 -0.05 0.26 0.00 1.02 -1.26 0.15 120.64 123.02 2ae6 n GLU 12 Ca -0.17 1.05 0.08 0.00 -0.02 0.00 0.00 57.16 58.10 2ae6 n GLU 12 Cb 0.56 -1.85 0.63 0.00 -0.02 0.00 0.00 31.44 30.76 2ae6 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ae6 h ALA 13 N 1.51 1.98 0.00 0.62 0.00 -2.03 -3.11 119.26 118.24 2ae6 h ALA 13 Ca 0.61 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.40 2ae6 h ALA 13 Cb 1.57 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2ae6 h ALA 13 CO -0.60 0.01 -0.53 -0.44 0.00 0.00 0.00 179.25 177.69 2ae6 h ASP 14 N 0.01 0.00 -0.79 0.00 3.32 0.94 -3.38 116.42 116.53 2ae6 h ASP 14 Ca 0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 2ae6 h ASP 14 Cb 0.01 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.49 2ae6 h ASP 14 CO 0.00 0.53 0.42 -0.50 -1.72 0.00 0.00 179.24 177.97 2ae6 h TRP 15 N 0.00 0.75 -0.56 4.55 4.06 -1.61 -0.32 115.95 122.82 2ae6 h TRP 15 Ca -0.01 0.03 0.11 0.00 2.06 0.00 0.00 58.89 61.09 2ae6 h TRP 15 Cb 1.06 -0.22 -0.09 0.00 -1.00 0.00 0.00 29.16 28.91 2ae6 h TRP 15 CO 0.00 0.26 0.01 -1.00 -3.56 0.00 0.00 178.44 174.15 2ae6 h PRO 16 N 0.67 0.13 -0.46 0.49 0.13 -1.82 -0.61 132.00 130.53 2ae6 h PRO 16 Ca 0.40 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.42 2ae6 h PRO 16 Cb 0.44 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2ae6 h PRO 16 CO -0.29 0.08 -0.09 0.00 -0.23 0.00 0.00 178.00 177.48 2ae6 h ALA 17 N 1.50 0.63 -0.68 -0.56 0.00 -1.38 -2.60 119.26 116.16 2ae6 h ALA 17 Ca 0.29 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2ae6 h ALA 17 Cb 0.45 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2ae6 h ALA 17 CO -0.46 0.50 0.39 -0.07 0.00 0.00 0.00 179.25 179.61 2ae6 h LEU 18 N 0.71 0.59 0.35 0.00 4.07 -1.00 -0.32 115.31 119.71 2ae6 h LEU 18 Ca 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 2ae6 h LEU 18 Cb 0.63 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2ae6 h LEU 18 CO 0.04 0.39 -0.17 -0.74 -1.08 0.00 0.00 178.44 176.88 2ae6 h HIS 19 N 0.73 -0.44 -0.96 1.13 2.76 -1.05 -0.60 115.15 116.72 2ae6 h HIS 19 Ca 0.30 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.57 2ae6 h HIS 19 Cb 0.16 0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.19 2ae6 h HIS 19 CO -0.07 -0.27 0.61 0.00 -1.30 0.00 0.00 177.93 176.90 2ae6 h ALA 20 N 0.18 1.59 -0.03 5.26 0.00 -1.27 -2.83 119.26 122.17 2ae6 h ALA 20 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2ae6 h ALA 20 Cb 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ae6 h ALA 20 CO 0.08 0.19 -0.04 1.25 0.00 0.00 0.00 179.25 180.73 2ae6 h LEU 21 N 0.93 0.08 -2.44 0.00 6.46 -0.76 -3.14 115.31 116.44 2ae6 h LEU 21 Ca 0.46 -0.52 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2ae6 h LEU 21 Cb 0.48 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2ae6 h LEU 21 CO -0.22 0.59 0.08 -0.78 -0.62 0.00 0.00 178.44 177.48 2ae6 h ASP 22 N -0.43 0.00 0.92 1.25 1.82 -0.98 0.27 116.42 119.27 2ae6 h ASP 22 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2ae6 h ASP 22 Cb 0.57 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 2ae6 h ASP 22 CO 0.01 0.00 -0.06 1.56 -1.61 0.00 0.00 179.24 179.14 2ae6 h GLN 23 N 0.00 0.00 0.01 0.28 4.20 -1.45 -3.30 115.11 114.85 2ae6 h GLN 23 Ca 0.03 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.39 2ae6 h GLN 23 Cb 0.19 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 2ae6 h GLN 23 CO -0.00 0.06 -1.90 -0.89 -0.67 0.00 0.00 178.83 175.43 2ae6 n ILE 24 N -3.19 1.54 -0.33 2.54 5.41 0.87 -5.13 119.36 121.07 2ae6 n ILE 24 Ca 0.00 -0.23 -0.04 0.00 1.00 0.00 0.00 62.75 63.48 2ae6 n ILE 24 Cb 0.32 -1.93 0.08 0.00 -0.71 0.00 0.00 39.64 37.40 2ae6 n ILE 24 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 2ae6 h ILE 25 N -0.91 1.26 0.00 1.39 -0.00 -1.43 -3.52 117.51 114.30 2ae6 h ILE 25 Ca -0.52 -0.66 0.00 0.00 -0.00 0.00 0.00 64.86 63.68 2ae6 h ILE 25 Cb 1.50 0.08 0.00 0.00 -0.00 0.00 0.00 36.82 38.40 2ae6 h ILE 25 CO -0.29 0.30 -0.18 -1.54 -0.00 0.00 0.00 178.15 176.44 2ae6 n SER 39 N -4.33 0.23 -0.04 2.16 3.41 -1.26 -5.11 113.62 108.68 2ae6 n SER 39 Ca 0.09 0.20 -0.15 0.00 -0.26 0.00 0.00 58.87 58.76 2ae6 n SER 39 Cb 0.11 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2ae6 n SER 39 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2ae6 h LEU 40 N 0.00 0.48 0.00 1.04 6.46 -2.00 -3.35 115.31 117.95 2ae6 h LEU 40 Ca 0.00 -0.59 -0.10 0.00 -0.12 0.00 0.00 57.88 57.07 2ae6 h LEU 40 Cb 0.18 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2ae6 h LEU 40 CO 0.00 0.99 -1.50 0.00 -0.62 0.00 0.00 178.44 177.31 2ae6 n ALA 41 N -2.50 1.98 0.23 1.25 0.00 -1.26 -4.23 120.51 115.99 2ae6 n ALA 41 Ca -0.07 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 2ae6 n ALA 41 Cb 0.49 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 2ae6 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ae6 h ALA 42 N 0.54 -0.54 -0.16 0.00 0.00 -2.01 -0.03 119.26 117.07 2ae6 h ALA 42 Ca -0.14 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 2ae6 h ALA 42 Cb 1.12 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ae6 h ALA 42 CO 0.01 -0.81 -0.65 -0.92 0.00 0.00 0.00 179.25 176.88 2ae6 h TYR 43 N -0.54 0.78 -0.25 0.00 3.20 -1.86 -3.14 116.97 115.17 2ae6 h TYR 43 Ca -0.05 -0.31 -0.15 0.00 3.14 0.00 0.00 58.73 61.37 2ae6 h TYR 43 Cb 0.44 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2ae6 h TYR 43 CO -0.07 1.08 -0.45 0.37 -1.64 0.00 0.00 178.16 177.45 2ae6 h GLN 44 N 0.44 0.63 0.15 1.82 4.15 -1.68 -3.27 115.11 117.35 2ae6 h GLN 44 Ca -0.02 -0.35 -0.33 0.00 0.77 0.00 0.00 58.65 58.73 2ae6 h GLN 44 Cb 1.23 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2ae6 h GLN 44 CO 0.12 0.95 -1.66 1.49 -1.93 0.00 0.00 178.83 177.80 2ae6 h GLU 45 N 0.51 0.32 -0.46 1.69 4.81 -1.16 -2.34 114.58 117.95 2ae6 h GLU 45 Ca 0.03 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2ae6 h GLU 45 Cb 0.98 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2ae6 h GLU 45 CO 0.09 1.26 0.00 1.17 -0.73 0.00 0.00 179.01 180.80 2ae6 n LYS 46 N -3.71 0.00 0.00 1.92 4.81 -1.18 -4.12 118.16 115.88 2ae6 n LYS 46 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 2ae6 n LYS 46 Cb 1.00 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 35.08 2ae6 n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2ae6 n LYS 48 N 0.51 0.00 0.22 1.64 4.81 -0.88 -4.82 118.16 119.63 2ae6 n LYS 48 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 2ae6 n LYS 48 Cb 0.00 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.41 2ae6 n LYS 48 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2ae6 h ASP 49 N 0.00 0.00 -3.94 3.14 3.32 -1.88 -3.47 116.42 113.59 2ae6 h ASP 49 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2ae6 h ASP 49 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 2ae6 h ASP 49 CO 0.00 0.15 0.42 -1.61 -1.72 0.00 0.00 179.24 176.49 2ae6 s GLU 50 N -3.41 4.23 -0.66 3.56 0.41 -1.26 -5.01 118.70 116.56 2ae6 s GLU 50 Ca 0.03 1.57 -0.21 0.00 -0.41 0.00 0.00 54.97 55.95 2ae6 s GLU 50 Cb 0.08 -2.64 0.08 0.00 -1.78 0.00 0.00 34.13 29.87 2ae6 s GLU 50 CO 0.64 -0.10 0.90 0.99 -0.49 0.00 0.00 175.26 177.21 2ae6 s THR 51 N -1.57 4.47 -0.10 3.63 2.01 -1.25 -5.03 115.64 117.81 2ae6 s THR 51 Ca 0.56 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.00 2ae6 s THR 51 Cb -0.24 -4.64 -0.01 0.00 0.01 0.00 0.00 72.50 67.62 2ae6 s THR 51 CO 0.30 -1.38 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.03 2ae6 s ILE 52 N 3.63 2.54 0.09 1.82 1.01 -1.26 -1.82 121.20 127.22 2ae6 s ILE 52 Ca 0.20 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.05 2ae6 s ILE 52 Cb -0.18 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2ae6 s ILE 52 CO 0.08 0.55 -0.10 -0.36 0.00 0.00 0.00 174.94 175.11 2ae6 s PHE 53 N 0.10 2.75 0.07 3.97 0.40 -0.10 -1.52 117.98 123.64 2ae6 s PHE 53 Ca -0.09 -0.15 0.09 0.00 -0.60 0.00 0.00 56.93 56.18 2ae6 s PHE 53 Cb -0.15 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 2ae6 s PHE 53 CO 0.06 0.42 -0.25 0.14 0.70 0.00 0.00 175.22 176.28 2ae6 s VAL 54 N -1.19 2.04 -0.25 -0.44 -7.23 0.30 -1.32 120.40 112.32 2ae6 s VAL 54 Ca 0.21 -1.47 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 2ae6 s VAL 54 Cb -0.11 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2ae6 s VAL 54 CO 0.13 0.22 0.12 0.00 -0.31 0.00 0.00 175.10 175.26 2ae6 s ALA 55 N -0.91 3.35 -0.19 1.32 0.00 0.46 -2.06 121.76 123.72 2ae6 s ALA 55 Ca 0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2ae6 s ALA 55 Cb -0.10 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 2ae6 s ALA 55 CO 0.03 -0.40 -0.06 0.42 0.00 0.00 0.00 175.76 175.75 2ae6 s ILE 56 N 1.46 3.35 -0.26 0.00 -1.09 0.19 -0.23 121.20 124.62 2ae6 s ILE 56 Ca 0.06 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 2ae6 s ILE 56 Cb -0.15 -2.49 0.05 0.00 -1.58 0.00 0.00 42.46 38.29 2ae6 s ILE 56 CO 0.06 0.45 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.58 2ae6 s SER 57 N 1.11 4.39 1.58 3.58 0.15 -0.11 -0.56 113.70 123.84 2ae6 s SER 57 Ca 0.01 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.44 2ae6 s SER 57 Cb -0.15 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2ae6 s SER 57 CO -0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2ae6 n GLY 58 N 4.53 3.28 0.66 9.45 0.00 -0.90 -2.31 105.19 119.89 2ae6 n GLY 58 Ca -0.15 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.85 2ae6 n GLY 58 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ae6 n GLN 59 N 11.70 0.89 -3.91 1.61 7.27 -1.26 -4.94 117.38 128.74 2ae6 n GLN 59 Ca 0.00 -2.45 -0.23 0.00 0.07 0.00 0.00 57.00 54.40 2ae6 n GLN 59 Cb 0.00 -1.04 -0.02 0.00 2.41 0.00 0.00 30.24 31.59 2ae6 n GLN 59 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2ae6 s GLN 60 N -1.88 3.45 -0.30 3.69 -0.21 -0.98 -5.09 119.66 118.34 2ae6 s GLN 60 Ca 0.29 -0.68 -0.24 0.00 0.02 0.00 0.00 55.36 54.76 2ae6 s GLN 60 Cb 0.29 -2.89 0.00 0.00 1.00 0.00 0.00 33.01 31.41 2ae6 s GLN 60 CO -0.06 0.43 0.82 -1.17 -2.12 0.00 0.00 175.29 173.19 2ae6 s LEU 61 N -3.82 4.07 -0.04 2.90 2.96 -1.26 -0.94 118.68 122.56 2ae6 s LEU 61 Ca 0.35 0.73 0.21 0.00 -0.22 0.00 0.00 54.13 55.20 2ae6 s LEU 61 Cb -0.10 -3.13 -0.32 0.00 0.50 0.00 0.00 46.19 43.15 2ae6 s LEU 61 CO 0.29 -0.63 0.44 0.00 -1.32 0.00 0.00 176.35 175.14 2ae6 n ALA 62 N 6.24 2.71 0.00 5.97 0.00 0.68 -4.87 120.51 131.24 2ae6 n ALA 62 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2ae6 n ALA 62 Cb 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2ae6 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ae6 n GLY 63 N 1.34 -1.89 3.31 0.00 0.00 -1.16 -1.03 105.19 105.78 2ae6 n GLY 63 Ca -0.05 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 2ae6 n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ae6 s PHE 64 N -2.09 -0.21 -0.07 1.61 -0.12 0.21 -0.41 117.98 116.90 2ae6 s PHE 64 Ca 0.00 -0.01 0.02 0.00 -0.05 0.00 0.00 56.93 56.89 2ae6 s PHE 64 Cb 0.00 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 2ae6 s PHE 64 CO 0.00 -0.65 -0.13 -1.50 -0.05 0.00 0.00 175.22 172.89 2ae6 s ILE 65 N -3.35 1.16 -0.01 -4.49 2.07 -0.44 -1.27 121.20 114.87 2ae6 s ILE 65 Ca 0.00 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.78 2ae6 s ILE 65 Cb 0.01 -1.06 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 2ae6 s ILE 65 CO -0.09 0.36 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.53 2ae6 s GLU 66 N 0.64 2.55 0.01 3.50 -6.30 0.52 -0.93 118.70 118.70 2ae6 s GLU 66 Ca -0.14 -0.71 -0.02 0.00 -2.50 0.00 0.00 54.97 51.60 2ae6 s GLU 66 Cb -0.16 -2.49 -0.01 0.00 0.00 0.00 0.00 34.13 31.47 2ae6 s GLU 66 CO 0.04 0.61 0.02 0.14 0.02 0.00 0.00 175.26 176.08 2ae6 s VAL 67 N -0.95 0.08 0.04 3.70 -7.23 -0.75 -0.92 120.40 114.37 2ae6 s VAL 67 Ca 0.16 -0.62 -0.27 0.00 -1.81 0.00 0.00 61.98 59.44 2ae6 s VAL 67 Cb -0.11 -0.23 0.09 0.00 0.56 0.00 0.00 36.38 36.68 2ae6 s VAL 67 CO 0.06 -0.34 0.75 -1.38 -0.31 0.00 0.00 175.10 173.87 2ae6 s HIS 68 N -1.04 -0.48 0.43 2.82 -3.43 -1.09 -3.82 115.29 108.68 2ae6 s HIS 68 Ca -0.11 0.44 -0.26 0.00 -0.80 0.00 0.00 55.06 54.33 2ae6 s HIS 68 Cb -0.07 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.51 2ae6 s HIS 68 CO -0.00 -0.66 1.39 -2.30 -2.00 0.00 0.00 174.74 171.16 2ae6 n PRO 69 N -0.03 2.22 0.08 -0.38 -0.02 -1.25 -0.41 135.00 135.21 2ae6 n PRO 69 Ca -0.14 0.79 0.04 0.00 -2.02 0.00 0.00 63.50 62.17 2ae6 n PRO 69 Cb 0.62 -2.56 0.45 0.00 -0.02 0.00 0.00 33.50 32.00 2ae6 n PRO 69 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2ae6 h PRO 70 N 2.33 0.35 -4.84 0.52 0.13 -1.80 -3.44 132.00 125.26 2ae6 h PRO 70 Ca -0.50 -0.04 -0.38 0.00 -0.87 0.00 0.00 66.00 64.21 2ae6 h PRO 70 Cb 1.27 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2ae6 h PRO 70 CO 0.61 0.30 -0.57 0.95 -0.23 0.00 0.00 178.00 179.06 2ae6 s THR 71 N -5.19 0.27 -1.44 1.56 -4.23 -1.26 -5.05 115.64 100.30 2ae6 s THR 71 Ca -0.07 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.73 2ae6 s THR 71 Cb 0.17 -2.52 0.51 0.00 1.34 0.00 0.00 72.50 71.99 2ae6 s THR 71 CO 0.72 0.00 2.00 -1.20 -0.54 0.00 0.00 174.62 175.60 2ae6 n SER 72 N -0.82 0.00 -4.77 3.99 7.64 -1.26 -4.80 113.62 113.60 2ae6 n SER 72 Ca 0.02 -0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.34 2ae6 n SER 72 Cb 0.65 -0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2ae6 n SER 72 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ae6 s LEU 73 N -2.56 4.32 0.33 -3.43 1.43 -1.26 -4.90 118.68 112.61 2ae6 s LEU 73 Ca 0.28 3.04 0.03 0.00 -1.03 0.00 0.00 54.13 56.45 2ae6 s LEU 73 Cb 0.19 -3.66 0.62 0.00 0.03 0.00 0.00 46.19 43.38 2ae6 s LEU 73 CO 0.44 -0.90 1.94 0.00 0.23 0.00 0.00 176.35 178.05 2ae6 h ALA 74 N 3.52 1.60 0.00 4.21 0.00 -2.02 -1.77 119.26 124.79 2ae6 h ALA 74 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2ae6 h ALA 74 Cb 1.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ae6 h ALA 74 CO 0.69 0.28 0.00 0.00 0.00 0.00 0.00 179.25 180.22 2ae6 h ALA 75 N 1.55 1.00 -0.26 0.00 0.00 -1.97 -1.86 119.26 117.72 2ae6 h ALA 75 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2ae6 h ALA 75 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ae6 h ALA 75 CO -0.12 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.85 2ae6 n HIS 76 N -2.67 0.33 1.98 0.00 8.25 -0.67 -4.53 115.22 117.92 2ae6 n HIS 76 Ca 0.00 -0.17 0.16 0.00 -0.26 0.00 0.00 57.72 57.45 2ae6 n HIS 76 Cb 0.19 0.00 0.91 0.00 1.12 0.00 0.00 29.99 32.21 2ae6 n HIS 76 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2ae6 n GLN 77 N 1.04 1.02 -0.67 -0.41 1.13 -0.70 -2.77 117.38 116.02 2ae6 n GLN 77 Ca 0.18 -0.03 0.07 0.00 -1.94 0.00 0.00 57.00 55.27 2ae6 n GLN 77 Cb 0.50 -1.49 0.32 0.00 0.11 0.00 0.00 30.24 29.69 2ae6 n GLN 77 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2ae6 n LYS 78 N -0.95 3.75 -4.45 -1.09 5.02 -1.26 -4.94 118.16 114.23 2ae6 n LYS 78 Ca 0.23 -3.00 -0.20 0.00 -2.02 0.00 0.00 58.31 53.32 2ae6 n LYS 78 Cb 0.12 -2.04 -0.14 0.00 -0.02 0.00 0.00 35.03 32.95 2ae6 n LYS 78 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2ae6 s GLN 79 N -2.83 0.94 -0.13 1.97 0.74 -1.12 0.00 119.66 119.23 2ae6 s GLN 79 Ca 0.48 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 55.34 2ae6 s GLN 79 Cb 0.38 -0.92 -0.01 0.00 1.10 0.00 0.00 33.01 33.56 2ae6 s GLN 79 CO 0.12 0.24 -0.16 -1.58 -0.55 0.00 0.00 175.29 173.36 2ae6 s TRP 80 N -0.52 2.76 -0.09 1.67 0.51 -0.04 -3.85 118.94 119.39 2ae6 s TRP 80 Ca 0.03 -0.86 -0.24 0.00 -2.12 0.00 0.00 56.10 52.91 2ae6 s TRP 80 Cb -0.06 -1.84 -0.03 0.00 -0.81 0.00 0.00 33.47 30.73 2ae6 s TRP 80 CO 0.00 -0.34 0.75 -1.17 -0.51 0.00 0.00 176.95 175.68 2ae6 s LEU 81 N 0.53 4.29 0.06 2.99 0.20 0.45 -1.18 118.68 126.02 2ae6 s LEU 81 Ca -0.10 1.22 0.06 0.00 0.69 0.00 0.00 54.13 55.99 2ae6 s LEU 81 Cb -0.16 -3.15 -0.04 0.00 -0.43 0.00 0.00 46.19 42.41 2ae6 s LEU 81 CO 0.04 -0.19 -0.09 -1.48 -0.29 0.00 0.00 176.35 174.34 2ae6 s LEU 82 N 1.13 3.07 -0.05 -0.68 0.05 -0.63 -2.66 118.68 118.91 2ae6 s LEU 82 Ca 0.39 -0.30 0.01 0.00 0.05 0.00 0.00 54.13 54.28 2ae6 s LEU 82 Cb -0.18 -1.83 0.02 0.00 -2.05 0.00 0.00 46.19 42.16 2ae6 s LEU 82 CO 0.18 0.22 -0.05 -0.44 -0.55 0.00 0.00 176.35 175.71 2ae6 s SER 83 N -1.89 1.07 -0.09 1.48 0.01 -0.09 -4.80 113.70 109.39 2ae6 s SER 83 Ca 0.20 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2ae6 s SER 83 Cb -0.11 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 2ae6 s SER 83 CO 0.11 -0.05 -0.08 -0.63 0.41 0.00 0.00 173.24 173.00 2ae6 s ILE 84 N 0.95 3.59 -0.05 1.44 1.01 -1.26 -0.35 121.20 126.52 2ae6 s ILE 84 Ca -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2ae6 s ILE 84 Cb -0.14 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2ae6 s ILE 84 CO 0.00 0.57 -0.09 -0.83 0.00 0.00 0.00 174.94 174.59 2ae6 s GLY 85 N -0.47 0.62 -0.05 6.18 0.00 -0.40 -5.01 107.32 108.20 2ae6 s GLY 85 Ca 0.07 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.56 2ae6 s GLY 85 CO 0.02 0.17 -0.21 0.14 0.00 0.00 0.00 173.10 173.22 2ae6 s VAL 86 N 0.63 1.75 0.42 1.40 1.01 -1.26 -0.62 120.40 123.73 2ae6 s VAL 86 Ca -0.11 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 2ae6 s VAL 86 Cb -0.14 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 2ae6 s VAL 86 CO 0.02 0.49 1.34 -0.55 0.00 0.00 0.00 175.10 176.40 2ae6 s SER 87 N -0.02 6.18 0.63 3.32 0.15 -0.19 -4.91 113.70 118.87 2ae6 s SER 87 Ca -0.05 2.72 0.35 0.00 0.70 0.00 0.00 55.95 59.68 2ae6 s SER 87 Cb -0.13 -2.64 1.98 0.00 -1.71 0.00 0.00 66.02 63.52 2ae6 s SER 87 CO 0.03 -0.95 2.21 -0.65 1.20 0.00 0.00 173.24 175.08 2ae6 h PRO 88 N 2.56 0.00 -0.02 5.44 0.11 -1.98 -0.94 132.00 137.18 2ae6 h PRO 88 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ae6 h PRO 88 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ae6 h PRO 88 CO 0.62 0.00 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.15 2ae6 n ASP 89 N -3.39 1.54 -2.62 -2.05 8.00 -1.26 -4.09 116.55 112.68 2ae6 n ASP 89 Ca -0.02 -1.50 -0.07 0.00 0.71 0.00 0.00 54.79 53.92 2ae6 n ASP 89 Cb 0.19 0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.34 2ae6 n ASP 89 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2ae6 n PHE 90 N 0.19 1.65 -2.02 1.24 3.01 -0.36 -5.09 117.46 116.07 2ae6 n PHE 90 Ca 0.19 -2.19 -0.33 0.00 1.01 0.00 0.00 57.45 56.13 2ae6 n PHE 90 Cb 0.36 -0.26 0.01 0.00 -0.01 0.00 0.00 39.48 39.59 2ae6 n PHE 90 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2ae6 s GLN 91 N -3.73 3.31 -1.55 -1.08 -1.52 -1.17 -4.24 119.66 109.67 2ae6 s GLN 91 Ca 0.33 1.18 -0.11 0.00 -1.95 0.00 0.00 55.36 54.81 2ae6 s GLN 91 Cb 0.35 -2.03 0.09 0.00 -0.22 0.00 0.00 33.01 31.19 2ae6 s GLN 91 CO -0.02 -0.82 0.75 -0.25 -0.25 0.00 0.00 175.29 174.71 2ae6 n ASP 92 N -2.09 -2.86 -0.82 5.90 10.43 -1.26 -4.88 116.55 120.96 2ae6 n ASP 92 Ca 0.09 -0.92 0.05 0.00 2.57 0.00 0.00 54.79 56.57 2ae6 n ASP 92 Cb 0.53 -3.28 0.10 0.00 1.84 0.00 0.00 41.12 40.31 2ae6 n ASP 92 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ae6 n GLN 93 N -4.47 0.71 -1.64 -1.24 10.64 -1.26 -5.00 117.38 115.12 2ae6 n GLN 93 Ca -0.06 -2.35 -0.13 0.00 -1.83 0.00 0.00 57.00 52.64 2ae6 n GLN 93 Cb 0.56 -0.84 -0.04 0.00 -0.86 0.00 0.00 30.24 29.06 2ae6 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ae6 n GLY 94 N -0.41 0.91 0.09 2.61 0.00 -1.26 -4.95 105.19 102.19 2ae6 n GLY 94 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2ae6 n GLY 94 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ae6 h ILE 95 N 0.00 0.99 -0.47 -0.61 1.08 -1.95 -2.20 117.51 114.36 2ae6 h ILE 95 Ca -0.28 -0.28 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 2ae6 h ILE 95 Cb 0.96 1.17 -0.08 0.00 -3.07 0.00 0.00 36.82 35.80 2ae6 h ILE 95 CO 0.38 0.07 -0.01 1.23 -0.69 0.00 0.00 178.15 179.12 2ae6 h GLY 96 N -0.24 0.46 1.26 5.37 0.00 -1.94 -0.93 103.07 107.04 2ae6 h GLY 96 Ca -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 2ae6 h GLY 96 CO 0.02 -0.13 0.16 -1.33 0.00 0.00 0.00 176.54 175.26 2ae6 h GLY 97 N 0.10 1.00 1.33 4.60 0.00 -1.97 -0.99 103.07 107.14 2ae6 h GLY 97 Ca 0.23 -0.58 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 2ae6 h GLY 97 CO -0.40 0.55 -0.47 1.48 0.00 0.00 0.00 176.54 177.70 2ae6 h SER 98 N 0.90 0.78 -0.73 0.19 4.64 -0.79 -0.34 113.55 118.21 2ae6 h SER 98 Ca 0.20 -0.38 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 2ae6 h SER 98 Cb 0.30 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 2ae6 h SER 98 CO -0.00 1.12 0.20 -0.07 -0.87 0.00 0.00 176.83 177.21 2ae6 h LEU 99 N 0.57 1.08 -0.43 5.97 4.07 -1.01 -2.06 115.31 123.50 2ae6 h LEU 99 Ca 0.03 -0.22 -0.09 0.00 0.08 0.00 0.00 57.88 57.68 2ae6 h LEU 99 Cb 1.03 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 2ae6 h LEU 99 CO 0.10 1.02 -0.10 0.25 -1.08 0.00 0.00 178.44 178.63 2ae6 h LEU 100 N 1.09 0.83 -1.02 1.67 5.85 -0.91 -1.68 115.31 121.14 2ae6 h LEU 100 Ca 0.23 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2ae6 h LEU 100 Cb 0.34 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2ae6 h LEU 100 CO -0.00 1.00 0.52 -1.28 -0.34 0.00 0.00 178.44 178.33 2ae6 h SER 101 N 0.66 1.06 -0.20 1.25 0.87 -0.99 -2.53 113.55 113.65 2ae6 h SER 101 Ca 0.11 -0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.44 2ae6 h SER 101 Cb 0.63 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2ae6 h SER 101 CO 0.04 0.82 -0.52 0.22 -0.53 0.00 0.00 176.83 176.86 2ae6 h TYR 102 N 1.21 0.92 -0.30 2.24 3.20 -1.20 -2.86 116.97 120.18 2ae6 h TYR 102 Ca 0.31 -0.36 -0.08 0.00 3.14 0.00 0.00 58.73 61.74 2ae6 h TYR 102 Cb -0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2ae6 h TYR 102 CO 0.01 1.15 -0.17 0.97 -1.64 0.00 0.00 178.16 178.48 2ae6 h ILE 103 N 0.43 1.25 -0.53 1.81 6.09 -1.24 -2.85 117.51 122.47 2ae6 h ILE 103 Ca -0.01 -1.13 -0.11 0.00 -1.37 0.00 0.00 64.86 62.25 2ae6 h ILE 103 Cb 1.14 1.20 -0.02 0.00 0.47 0.00 0.00 36.82 39.61 2ae6 h ILE 103 CO 0.11 0.37 -0.10 0.11 -3.07 0.00 0.00 178.15 175.57 2ae6 h LYS 104 N 0.48 0.99 -0.92 2.19 1.57 -1.40 0.15 116.57 119.62 2ae6 h LYS 104 Ca 0.08 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2ae6 h LYS 104 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2ae6 h LYS 104 CO 0.04 1.03 0.00 -0.25 -0.57 0.00 0.00 179.45 179.70 2ae6 n ASP 105 N -4.15 0.76 0.00 0.86 10.43 -1.08 -2.38 116.55 121.00 2ae6 n ASP 105 Ca 0.02 -0.81 0.00 0.00 2.57 0.00 0.00 54.79 56.56 2ae6 n ASP 105 Cb 0.39 -0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.15 2ae6 n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ae6 n ALA 107 N 0.51 0.00 -0.35 2.24 0.00 0.51 -2.81 120.51 120.61 2ae6 n ALA 107 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2ae6 n ALA 107 Cb 0.15 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.72 2ae6 n ALA 107 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ae6 h GLU 108 N 0.00 1.19 0.00 0.00 4.81 -1.68 0.21 114.58 119.11 2ae6 h GLU 108 Ca 0.00 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 2ae6 h GLU 108 Cb 0.00 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 2ae6 h GLU 108 CO 0.00 0.79 -0.98 -0.84 -0.73 0.00 0.00 179.01 177.24 2ae6 h ILE 109 N 1.23 1.69 0.00 2.32 -0.00 -1.83 -3.25 117.51 117.67 2ae6 h ILE 109 Ca 0.37 -3.39 0.00 0.00 -0.00 0.00 0.00 64.86 61.84 2ae6 h ILE 109 Cb -0.04 2.83 0.00 0.00 -0.00 0.00 0.00 36.82 39.62 2ae6 h ILE 109 CO -0.11 0.96 0.00 -1.20 -0.00 0.00 0.00 178.15 177.80 2ae6 n SER 110 N -3.35 0.00 0.00 2.16 7.64 -1.04 -4.89 113.62 114.14 2ae6 n SER 110 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2ae6 n SER 110 Cb 0.93 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2ae6 n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ae6 n GLY 111 N 0.79 0.44 3.70 0.23 0.00 -0.83 -5.03 105.19 104.50 2ae6 n GLY 111 Ca 0.08 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2ae6 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ae6 s ILE 112 N -2.00 4.89 -0.07 -0.61 -1.09 0.67 -4.89 121.20 118.10 2ae6 s ILE 112 Ca 0.00 1.90 0.14 0.00 -2.23 0.00 0.00 60.65 60.46 2ae6 s ILE 112 Cb 0.00 -4.25 -0.21 0.00 -1.58 0.00 0.00 42.46 36.42 2ae6 s ILE 112 CO 0.00 0.14 0.66 1.57 -1.23 0.00 0.00 174.94 176.08 2ae6 n HIS 113 N 4.18 0.93 -3.78 3.97 -0.00 0.10 -4.41 115.22 116.21 2ae6 n HIS 113 Ca 0.05 0.33 -0.13 0.00 0.46 0.00 0.00 57.72 58.44 2ae6 n HIS 113 Cb 0.50 -1.15 -0.12 0.00 -0.12 0.00 0.00 29.99 29.10 2ae6 n HIS 113 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2ae6 s LYS 114 N -2.66 0.24 0.01 1.57 2.20 -1.13 -1.32 119.74 118.64 2ae6 s LYS 114 Ca -0.05 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 2ae6 s LYS 114 Cb 0.08 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 2ae6 s LYS 114 CO 0.82 -0.06 -0.02 -0.51 -0.36 0.00 0.00 175.35 175.22 2ae6 s LEU 115 N 0.38 3.41 0.13 5.43 1.43 0.69 -0.86 118.68 129.29 2ae6 s LEU 115 Ca -0.02 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 2ae6 s LEU 115 Cb -0.04 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2ae6 s LEU 115 CO -0.02 0.27 0.22 -0.94 0.23 0.00 0.00 176.35 176.11 2ae6 s SER 116 N -1.57 0.11 0.21 2.29 1.04 -0.33 -0.40 113.70 115.06 2ae6 s SER 116 Ca 0.19 -0.84 -0.23 0.00 0.48 0.00 0.00 55.95 55.56 2ae6 s SER 116 Cb -0.11 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.43 2ae6 s SER 116 CO 0.10 -0.81 0.76 -1.48 0.98 0.00 0.00 173.24 172.79 2ae6 s LEU 117 N -2.94 -0.30 0.03 2.42 2.34 -0.89 -1.61 118.68 117.73 2ae6 s LEU 117 Ca 0.13 -0.42 0.03 0.00 0.06 0.00 0.00 54.13 53.94 2ae6 s LEU 117 Cb 0.04 2.54 -0.04 0.00 -0.56 0.00 0.00 46.19 48.18 2ae6 s LEU 117 CO -0.04 -1.14 -0.02 -0.13 -1.06 0.00 0.00 176.35 173.97 2ae6 s ARG 118 N -3.70 2.65 0.00 1.48 0.52 -1.26 -1.07 118.95 117.57 2ae6 s ARG 118 Ca 0.09 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 2ae6 s ARG 118 Cb -0.04 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.84 2ae6 s ARG 118 CO 0.01 0.59 0.00 1.55 0.02 0.00 0.00 175.30 177.48 2ae6 n VAL 119 N 1.19 0.00 -0.07 3.52 3.14 -0.54 -4.98 118.33 120.59 2ae6 n VAL 119 Ca -0.14 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.19 2ae6 n VAL 119 Cb 0.52 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.18 2ae6 n VAL 119 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ae6 n ALA 121 N -3.00 1.74 0.97 1.55 0.00 -0.75 0.00 120.51 121.03 2ae6 n ALA 121 Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 53.44 52.60 2ae6 n ALA 121 Cb 0.00 -0.15 0.46 0.00 0.00 0.00 0.00 19.45 19.76 2ae6 n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ae6 n THR 122 N -2.52 0.03 -2.37 0.00 -2.24 -1.26 -4.57 114.28 101.34 2ae6 n THR 122 Ca -0.23 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 2ae6 n THR 122 Cb 0.94 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2ae6 n THR 122 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ae6 n ASN 123 N -1.55 4.70 -0.15 3.42 2.85 -1.26 -4.79 115.26 118.48 2ae6 n ASN 123 Ca 0.06 -2.93 -0.01 0.00 -0.11 0.00 0.00 54.58 51.60 2ae6 n ASN 123 Cb 0.34 -1.66 0.24 0.00 1.24 0.00 0.00 39.78 39.94 2ae6 n ASN 123 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2ae6 h GLN 124 N 6.85 0.86 -0.25 1.20 4.15 -2.00 -2.06 115.11 123.86 2ae6 h GLN 124 Ca 0.46 -0.11 -0.19 0.00 0.77 0.00 0.00 58.65 59.58 2ae6 h GLN 124 Cb 0.78 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.31 2ae6 h GLN 124 CO 1.56 0.66 -0.59 1.05 -1.93 0.00 0.00 178.83 179.58 2ae6 h GLU 125 N 0.86 0.84 -0.38 1.69 4.11 -1.99 -1.61 114.58 118.10 2ae6 h GLU 125 Ca 0.21 -0.57 -0.10 0.00 0.07 0.00 0.00 59.36 58.98 2ae6 h GLU 125 Cb 0.08 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2ae6 h GLU 125 CO -0.03 1.20 -0.17 0.00 0.07 0.00 0.00 179.01 180.08 2ae6 h ALA 126 N 0.64 1.00 0.14 1.06 0.00 -1.93 -0.31 119.26 119.86 2ae6 h ALA 126 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ae6 h ALA 126 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ae6 h ALA 126 CO 0.13 0.59 -0.10 0.82 0.00 0.00 0.00 179.25 180.69 2ae6 h ILE 127 N 0.62 0.79 -0.67 0.00 2.04 -1.31 -0.00 117.51 118.98 2ae6 h ILE 127 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 2ae6 h ILE 127 Cb 0.63 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2ae6 h ILE 127 CO 0.04 0.00 0.42 0.03 0.00 0.00 0.00 178.15 178.64 2ae6 h ARG 128 N -0.24 0.90 0.52 2.37 3.08 -1.16 -0.91 114.38 118.93 2ae6 h ARG 128 Ca -0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2ae6 h ARG 128 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2ae6 h ARG 128 CO -0.00 0.62 -0.33 0.35 -1.07 0.00 0.00 179.97 179.54 2ae6 h PHE 129 N 0.90 -0.86 -0.73 3.04 3.57 -0.76 0.16 116.94 122.26 2ae6 h PHE 129 Ca 0.24 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2ae6 h PHE 129 Cb -0.05 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2ae6 h PHE 129 CO -0.02 -0.50 0.32 1.88 -2.23 0.00 0.00 178.31 177.77 2ae6 h TYR 130 N -0.81 1.06 -0.48 0.41 -1.99 -0.93 -1.89 116.97 112.34 2ae6 h TYR 130 Ca -0.06 -0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.49 2ae6 h TYR 130 Cb 0.66 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 2ae6 h TYR 130 CO -0.10 0.78 -0.19 0.93 -0.00 0.00 0.00 178.16 179.58 2ae6 h GLU 131 N 1.04 0.97 -0.76 4.88 5.08 -1.09 -1.12 114.58 123.58 2ae6 h GLU 131 Ca 0.25 -0.41 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2ae6 h GLU 131 Cb 0.14 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2ae6 h GLU 131 CO -0.03 1.08 0.50 -0.22 -1.00 0.00 0.00 179.01 179.34 2ae6 h LYS 132 N 0.82 0.63 -0.79 2.33 3.64 -0.30 -1.97 116.57 120.94 2ae6 h LYS 132 Ca 0.11 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2ae6 h LYS 132 Cb 0.77 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2ae6 h LYS 132 CO 0.06 0.42 0.01 0.72 -2.27 0.00 0.00 179.45 178.39 2ae6 n HIS 133 N -4.50 1.07 -0.88 1.91 8.25 -0.74 -4.88 115.22 115.45 2ae6 n HIS 133 Ca 0.13 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 2ae6 n HIS 133 Cb 0.35 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2ae6 n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ae6 n GLY 134 N 0.31 0.53 3.77 -1.41 0.00 -0.74 -5.04 105.19 102.60 2ae6 n GLY 134 Ca 0.14 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2ae6 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ae6 s PHE 135 N -2.00 3.81 0.04 1.61 0.40 -0.50 -4.76 117.98 116.58 2ae6 s PHE 135 Ca 0.00 1.77 0.06 0.00 -0.60 0.00 0.00 56.93 58.16 2ae6 s PHE 135 Cb 0.00 -2.89 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 2ae6 s PHE 135 CO 0.00 0.34 -0.12 0.14 0.70 0.00 0.00 175.22 176.27 2ae6 s VAL 136 N -1.42 3.21 0.07 -0.44 -7.23 0.48 -4.27 120.40 110.80 2ae6 s VAL 136 Ca 0.45 -1.05 -0.31 0.00 -1.81 0.00 0.00 61.98 59.27 2ae6 s VAL 136 Cb -0.21 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 2ae6 s VAL 136 CO 0.26 0.32 1.43 -1.58 -0.31 0.00 0.00 175.10 175.22 2ae6 s GLN 137 N -1.56 4.29 -0.01 4.82 0.74 -1.26 -0.47 119.66 126.20 2ae6 s GLN 137 Ca 0.17 2.07 0.10 0.00 0.05 0.00 0.00 55.36 57.75 2ae6 s GLN 137 Cb -0.11 -3.41 -0.13 0.00 1.10 0.00 0.00 33.01 30.46 2ae6 s GLN 137 CO 0.08 -0.53 0.28 0.39 -0.55 0.00 0.00 175.29 174.96 2ae6 n GLU 138 N 4.68 1.64 -3.73 1.67 1.02 0.82 -4.94 120.64 121.80 2ae6 n GLU 138 Ca 0.13 -0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 2ae6 n GLU 138 Cb 0.42 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 30.63 2ae6 n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ae6 s ALA 139 N -2.38 -0.96 -0.36 0.62 0.00 -1.17 -4.95 121.76 112.57 2ae6 s ALA 139 Ca -0.01 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2ae6 s ALA 139 Cb 0.07 -0.42 0.11 0.00 0.00 0.00 0.00 23.12 22.88 2ae6 s ALA 139 CO 0.40 -0.22 0.14 -1.58 0.00 0.00 0.00 175.76 174.50 2ae6 s HIS 140 N -0.28 2.14 -0.47 0.00 2.46 -1.26 -2.07 115.29 115.82 2ae6 s HIS 140 Ca -0.04 -2.17 -0.24 0.00 0.47 0.00 0.00 55.06 53.07 2ae6 s HIS 140 Cb -0.03 -1.98 0.03 0.00 -0.13 0.00 0.00 32.58 30.47 2ae6 s HIS 140 CO 0.02 -0.86 0.86 -0.06 -2.47 0.00 0.00 174.74 172.23 2ae6 s PHE 141 N 1.08 2.94 0.04 3.88 0.40 0.50 -4.96 117.98 121.86 2ae6 s PHE 141 Ca 0.13 0.23 -0.17 0.00 -0.60 0.00 0.00 56.93 56.52 2ae6 s PHE 141 Cb -0.20 -3.84 -0.06 0.00 0.51 0.00 0.00 43.02 39.43 2ae6 s PHE 141 CO -0.14 -1.08 0.49 0.15 0.70 0.00 0.00 175.22 175.34 2ae6 s LYS 142 N 3.56 4.05 -1.32 0.44 1.02 -1.26 -1.70 119.74 124.53 2ae6 s LYS 142 Ca 0.33 0.56 -0.06 0.00 0.02 0.00 0.00 55.97 56.82 2ae6 s LYS 142 Cb -0.11 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2ae6 s LYS 142 CO 0.24 0.65 0.56 0.39 -0.92 0.00 0.00 175.35 176.27 2ae6 n GLU 143 N 1.69 -2.89 -0.11 1.68 1.02 -1.26 -4.88 120.64 115.89 2ae6 n GLU 143 Ca -0.12 0.44 -0.22 0.00 -0.02 0.00 0.00 57.16 57.24 2ae6 n GLU 143 Cb 0.52 -4.47 -0.12 0.00 -0.02 0.00 0.00 31.44 27.35 2ae6 n GLU 143 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ae6 n GLU 144 N -4.34 0.65 -4.62 3.49 4.07 -0.22 -4.79 120.64 114.88 2ae6 n GLU 144 Ca -0.25 0.22 -0.33 0.00 -0.06 0.00 0.00 57.16 56.74 2ae6 n GLU 144 Cb 0.66 -1.56 -0.14 0.00 -0.06 0.00 0.00 31.44 30.34 2ae6 n GLU 144 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2ae6 s PHE 145 N -2.51 2.86 -0.20 4.31 0.40 -0.47 -4.93 117.98 117.45 2ae6 s PHE 145 Ca -0.34 -0.63 -0.23 0.00 -0.60 0.00 0.00 56.93 55.13 2ae6 s PHE 145 Cb 0.10 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 2ae6 s PHE 145 CO 0.60 -0.22 0.74 -0.47 0.70 0.00 0.00 175.22 176.56 2ae6 s TYR 146 N 0.48 3.37 -0.22 0.36 5.04 -1.26 0.38 117.35 125.49 2ae6 s TYR 146 Ca -0.08 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 55.60 2ae6 s TYR 146 Cb -0.15 -2.93 0.07 0.00 0.35 0.00 0.00 41.96 39.30 2ae6 s TYR 146 CO 0.04 -0.25 0.06 0.42 -1.34 0.00 0.00 175.55 174.48 2ae6 s ILE 147 N 2.20 0.48 -1.12 3.14 -1.09 0.11 -4.92 121.20 120.02 2ae6 s ILE 147 Ca 0.33 -0.71 -0.32 0.00 -2.23 0.00 0.00 60.65 57.73 2ae6 s ILE 147 Cb -0.16 -1.11 0.04 0.00 -1.58 0.00 0.00 42.46 39.65 2ae6 s ILE 147 CO 0.10 -0.36 0.63 -3.20 -1.23 0.00 0.00 174.94 170.89 2ae6 n ASN 148 N 5.05 -3.84 0.00 3.58 5.15 -1.26 -1.72 115.26 122.21 2ae6 n ASN 148 Ca -0.07 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.70 2ae6 n ASN 148 Cb 0.46 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 2ae6 n ASN 148 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ae6 n GLY 149 N -2.01 3.26 3.39 8.20 0.00 -1.26 -5.04 105.19 111.73 2ae6 n GLY 149 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2ae6 n GLY 149 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ae6 s HIS 150 N -2.52 2.18 -0.14 1.61 -3.43 -0.70 -5.14 115.29 107.15 2ae6 s HIS 150 Ca 0.00 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 53.76 2ae6 s HIS 150 Cb 0.00 -1.11 -0.05 0.00 -1.43 0.00 0.00 32.58 29.99 2ae6 s HIS 150 CO 0.00 0.41 0.24 0.71 -2.00 0.00 0.00 174.74 174.09 2ae6 s TYR 151 N -1.53 3.52 0.02 0.38 1.51 -1.26 0.09 117.35 120.07 2ae6 s TYR 151 Ca 0.17 0.57 0.07 0.00 -1.01 0.00 0.00 57.07 56.87 2ae6 s TYR 151 Cb -0.08 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2ae6 s TYR 151 CO 0.08 0.42 -0.19 0.00 -1.11 0.00 0.00 175.55 174.75 2ae6 s ASP 153 N -1.18 5.92 -0.02 0.00 1.01 -1.26 -1.06 116.67 120.09 2ae6 s ASP 153 Ca 0.13 0.81 -0.07 0.00 0.71 0.00 0.00 52.55 54.13 2ae6 s ASP 153 Cb -0.10 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.87 2ae6 s ASP 153 CO 0.03 -0.83 0.15 -0.62 0.21 0.00 0.00 175.17 174.11 2ae6 s ASP 154 N -4.21 -0.04 0.18 0.27 2.15 -0.69 -1.81 116.67 112.53 2ae6 s ASP 154 Ca 0.51 -0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.52 2ae6 s ASP 154 Cb -0.10 0.25 -0.04 0.00 -0.30 0.00 0.00 42.92 42.73 2ae6 s ASP 154 CO 0.45 -0.29 0.00 -0.31 -0.17 0.00 0.00 175.17 174.86 2ae6 s TYR 155 N -0.97 2.84 -0.11 -5.34 4.12 0.10 -0.37 117.35 117.61 2ae6 s TYR 155 Ca -0.11 -0.14 0.01 0.00 0.02 0.00 0.00 57.07 56.85 2ae6 s TYR 155 Cb -0.06 -1.37 -0.02 0.00 -1.52 0.00 0.00 41.96 39.00 2ae6 s TYR 155 CO 0.01 0.52 -0.13 -1.14 0.02 0.00 0.00 175.55 174.84 2ae6 s GLN 156 N -3.00 3.18 0.07 -0.62 0.74 -0.88 -1.47 119.66 117.68 2ae6 s GLN 156 Ca 0.28 -0.68 0.05 0.00 0.05 0.00 0.00 55.36 55.06 2ae6 s GLN 156 Cb -0.09 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 2ae6 s GLN 156 CO 0.19 0.32 -0.06 0.71 -0.55 0.00 0.00 175.29 175.90 2ae6 s TYR 157 N 0.07 2.86 0.03 1.67 1.51 -0.23 -0.13 117.35 123.13 2ae6 s TYR 157 Ca -0.05 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 2ae6 s TYR 157 Cb -0.14 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 2ae6 s TYR 157 CO 0.04 0.43 -0.07 0.00 -1.11 0.00 0.00 175.55 174.84 2ae6 s ALA 158 N -1.18 0.55 -0.07 3.71 0.00 0.38 -2.09 121.76 123.06 2ae6 s ALA 158 Ca 0.21 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2ae6 s ALA 158 Cb -0.11 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2ae6 s ALA 158 CO 0.13 0.00 -0.14 -0.47 0.00 0.00 0.00 175.76 175.29 2ae6 s TYR 159 N -1.14 1.58 -0.37 0.00 5.04 0.47 -0.39 117.35 122.53 2ae6 s TYR 159 Ca -0.08 -0.59 -0.13 0.00 -2.44 0.00 0.00 57.07 53.84 2ae6 s TYR 159 Cb -0.09 -1.14 0.01 0.00 0.35 0.00 0.00 41.96 41.10 2ae6 s TYR 159 CO 0.00 -0.29 0.24 -0.06 -1.34 0.00 0.00 175.55 174.10 2ae6 s PHE 160 N 0.62 3.23 -2.00 4.97 0.40 -1.26 -0.22 117.98 123.72 2ae6 s PHE 160 Ca -0.15 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 2ae6 s PHE 160 Cb -0.16 -2.49 0.13 0.00 0.51 0.00 0.00 43.02 41.01 2ae6 s PHE 160 CO 0.04 -0.52 0.62 -0.89 0.70 0.00 0.00 175.22 175.17