#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 1.16 0.03 6.66 -4.23 -1.26 -5.10 115.64 112.90 2ae6 s THR 3 Ca 0.00 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 2ae6 s THR 3 Cb 0.00 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.52 2ae6 s THR 3 CO 0.00 -0.37 -0.09 -0.94 -0.54 0.00 0.00 174.62 172.68 2ae6 s SER 4 N -2.16 1.06 -0.12 3.99 1.04 -1.26 -5.03 113.70 111.22 2ae6 s SER 4 Ca 0.04 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 2ae6 s SER 4 Cb -0.07 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.05 2ae6 s SER 4 CO 0.02 -0.06 -0.04 -0.22 0.98 0.00 0.00 173.24 173.91 2ae6 s LEU 5 N -1.09 1.12 -0.05 2.42 1.98 -1.26 -1.34 118.68 120.46 2ae6 s LEU 5 Ca -0.03 -0.36 0.04 0.00 -2.89 0.00 0.00 54.13 50.88 2ae6 s LEU 5 Cb -0.07 -0.74 -0.02 0.00 0.66 0.00 0.00 46.19 46.02 2ae6 s LEU 5 CO 0.01 -0.17 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.24 2ae6 s THR 6 N 1.77 2.85 -0.14 3.68 2.01 0.56 -4.94 115.64 121.43 2ae6 s THR 6 Ca 0.04 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2ae6 s THR 6 Cb -0.13 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.28 2ae6 s THR 6 CO -0.07 0.58 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.59 2ae6 s ILE 7 N -0.58 2.03 0.18 1.82 1.01 -1.26 0.93 121.20 125.34 2ae6 s ILE 7 Ca 0.08 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 2ae6 s ILE 7 Cb -0.11 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2ae6 s ILE 7 CO 0.01 0.54 0.39 0.00 0.00 0.00 0.00 174.94 175.88 2ae6 s ARG 8 N 0.86 1.25 0.32 2.79 1.70 -0.58 -4.93 118.95 120.36 2ae6 s ARG 8 Ca -0.06 -1.02 -0.28 0.00 -0.47 0.00 0.00 55.73 53.90 2ae6 s ARG 8 Cb -0.15 0.44 -0.13 0.00 -0.57 0.00 0.00 34.95 34.54 2ae6 s ARG 8 CO -0.03 -0.49 1.19 -0.11 -1.08 0.00 0.00 175.30 174.78 2ae6 n LEU 9 N -0.27 2.90 -4.74 -1.89 7.94 -1.26 0.95 117.00 120.63 2ae6 n LEU 9 Ca -0.09 1.20 -0.41 0.00 -1.11 0.00 0.00 56.01 55.59 2ae6 n LEU 9 Cb 0.63 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.17 2ae6 n LEU 9 CO 0.21 -0.82 1.02 0.55 -1.11 0.00 0.00 177.39 177.24 2ae6 n VAL 10 N 0.33 2.14 -4.44 1.96 3.14 -0.53 -4.71 118.33 116.22 2ae6 n VAL 10 Ca 0.07 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.69 2ae6 n VAL 10 Cb 0.34 -1.78 -0.11 0.00 -1.06 0.00 0.00 33.84 31.24 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 -1.13 2.62 0.32 1.55 0.00 -1.26 -5.04 121.76 118.82 2ae6 s ALA 11 Ca 0.56 -1.75 0.09 0.00 0.00 0.00 0.00 51.96 50.86 2ae6 s ALA 11 Cb -0.51 -0.29 0.94 0.00 0.00 0.00 0.00 23.12 23.26 2ae6 s ALA 11 CO 0.62 0.35 1.64 0.93 0.00 0.00 0.00 175.76 179.30 2ae6 h GLU 12 N 2.76 0.22 0.00 0.00 5.08 -2.04 0.28 114.58 120.88 2ae6 h GLU 12 Ca -0.43 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2ae6 h GLU 12 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2ae6 h GLU 12 CO 0.54 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.69 2ae6 n ALA 13 N -2.52 1.66 0.10 3.43 0.00 -1.26 -3.27 120.51 118.66 2ae6 n ALA 13 Ca 0.28 0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.73 2ae6 n ALA 13 Cb 0.88 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 19.03 2ae6 n ALA 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ae6 h ASP 14 N 0.00 0.06 -0.74 0.00 3.32 -0.83 -3.39 116.42 114.84 2ae6 h ASP 14 Ca 0.00 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.10 2ae6 h ASP 14 Cb 0.34 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 2ae6 h ASP 14 CO 0.00 0.81 0.38 -0.50 -1.72 0.00 0.00 179.24 178.21 2ae6 h TRP 15 N 0.03 0.68 -0.54 4.55 4.06 -1.67 0.27 115.95 123.33 2ae6 h TRP 15 Ca -0.01 0.03 0.11 0.00 2.06 0.00 0.00 58.89 61.07 2ae6 h TRP 15 Cb 1.36 -0.19 -0.09 0.00 -1.00 0.00 0.00 29.16 29.24 2ae6 h TRP 15 CO 0.01 0.25 -0.02 -1.35 -3.56 0.00 0.00 178.44 173.77 2ae6 h PRO 16 N 0.64 0.10 -0.53 0.49 0.11 -1.84 0.40 132.00 131.37 2ae6 h PRO 16 Ca 0.36 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.38 2ae6 h PRO 16 Cb 0.38 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 2ae6 h PRO 16 CO -0.27 0.06 -0.02 0.00 -0.21 0.00 0.00 178.00 177.57 2ae6 h ALA 17 N 1.49 0.72 -0.11 -0.75 0.00 -1.26 -2.49 119.26 116.86 2ae6 h ALA 17 Ca 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ae6 h ALA 17 Cb 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ae6 h ALA 17 CO -0.47 0.55 0.04 -0.07 0.00 0.00 0.00 179.25 179.30 2ae6 h LEU 18 N 0.82 0.15 -0.58 0.00 3.38 -0.90 0.44 115.31 118.62 2ae6 h LEU 18 Ca 0.15 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2ae6 h LEU 18 Cb 0.56 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2ae6 h LEU 18 CO 0.03 0.28 0.21 -0.74 0.09 0.00 0.00 178.44 178.32 2ae6 h HIS 19 N 0.01 0.37 -0.28 1.13 2.76 -0.97 0.12 115.15 118.29 2ae6 h HIS 19 Ca 0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2ae6 h HIS 19 Cb 0.18 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 2ae6 h HIS 19 CO -0.01 0.10 0.18 0.00 -1.30 0.00 0.00 177.93 176.89 2ae6 h ALA 20 N 1.40 0.35 -0.29 5.26 0.00 -1.17 -2.82 119.26 122.00 2ae6 h ALA 20 Ca 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2ae6 h ALA 20 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ae6 h ALA 20 CO -0.29 -0.17 0.01 1.25 0.00 0.00 0.00 179.25 180.04 2ae6 h LEU 21 N 0.37 0.49 -2.47 0.00 6.46 -0.47 -2.75 115.31 116.94 2ae6 h LEU 21 Ca 0.10 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 2ae6 h LEU 21 Cb -0.02 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2ae6 h LEU 21 CO -0.02 0.67 0.05 -0.78 -0.62 0.00 0.00 178.44 177.75 2ae6 h ASP 22 N 0.29 0.00 0.50 1.25 1.82 -0.77 0.77 116.42 120.28 2ae6 h ASP 22 Ca 0.08 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.53 2ae6 h ASP 22 Cb 0.42 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 2ae6 h ASP 22 CO 0.01 0.00 -0.85 1.56 -1.61 0.00 0.00 179.24 178.36 2ae6 h GLN 23 N 0.00 0.25 0.00 0.28 4.20 -1.22 -3.30 115.11 115.31 2ae6 h GLN 23 Ca 0.02 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2ae6 h GLN 23 Cb 0.12 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2ae6 h GLN 23 CO -0.00 0.96 0.00 -0.89 -0.67 0.00 0.00 178.83 178.23 2ae6 n ILE 24 N -3.71 0.50 0.00 2.54 5.41 0.24 -5.13 119.36 119.21 2ae6 n ILE 24 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2ae6 n ILE 24 Cb 0.78 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 2ae6 n ILE 24 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2ae6 n ILE 25 N -1.91 0.00 -0.01 1.39 -5.35 -1.09 -4.98 119.36 107.41 2ae6 n ILE 25 Ca 0.05 -0.04 -0.04 0.00 -0.27 0.00 0.00 62.75 62.45 2ae6 n ILE 25 Cb 0.33 0.96 -0.01 0.00 -1.74 0.00 0.00 39.64 39.18 2ae6 n ILE 25 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2ae6 n LEU 40 N -0.09 1.43 0.16 7.28 0.00 -1.26 -4.81 117.00 119.70 2ae6 n LEU 40 Ca 0.00 0.22 0.13 0.00 0.00 0.00 0.00 56.01 56.35 2ae6 n LEU 40 Cb 0.00 -0.50 0.35 0.00 0.00 0.00 0.00 43.42 43.27 2ae6 n LEU 40 CO 0.00 -0.51 0.86 0.00 0.00 0.00 0.00 177.39 177.75 2ae6 h ALA 41 N -0.42 1.00 -0.57 1.96 0.00 -2.01 -3.06 119.26 116.15 2ae6 h ALA 41 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2ae6 h ALA 41 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2ae6 h ALA 41 CO -0.01 0.00 0.06 0.00 0.00 0.00 0.00 179.25 179.30 2ae6 h ALA 42 N 2.29 0.76 -0.36 0.00 0.00 -2.05 -0.35 119.26 119.55 2ae6 h ALA 42 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2ae6 h ALA 42 Cb 0.79 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ae6 h ALA 42 CO 0.00 0.53 0.22 -0.92 0.00 0.00 0.00 179.25 179.08 2ae6 h TYR 43 N 0.85 0.41 -0.46 0.00 5.03 -1.97 0.69 116.97 121.52 2ae6 h TYR 43 Ca 0.17 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.49 2ae6 h TYR 43 Cb 0.46 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 2ae6 h TYR 43 CO 0.03 0.24 0.29 1.96 -1.32 0.00 0.00 178.16 179.36 2ae6 h GLN 44 N 0.44 0.61 0.01 1.82 4.20 -1.38 -2.75 115.11 118.06 2ae6 h GLN 44 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2ae6 h GLN 44 Cb -0.00 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2ae6 h GLN 44 CO -0.06 0.42 -0.00 0.93 -0.67 0.00 0.00 178.83 179.45 2ae6 h GLU 45 N 0.63 -0.01 -0.28 1.46 4.39 -0.89 -3.31 114.58 116.57 2ae6 h GLU 45 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2ae6 h GLU 45 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2ae6 h GLU 45 CO -0.03 0.71 0.00 1.17 -1.16 0.00 0.00 179.01 179.70 2ae6 n LYS 46 N -4.74 0.00 0.00 2.33 4.81 0.22 -4.13 118.16 116.65 2ae6 n LYS 46 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2ae6 n LYS 46 Cb 0.36 -0.92 0.00 0.00 0.02 0.00 0.00 35.03 34.49 2ae6 n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2ae6 n LYS 48 N 0.44 -0.04 -0.12 1.64 5.02 -1.25 -4.36 118.16 119.49 2ae6 n LYS 48 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2ae6 n LYS 48 Cb 0.00 -0.66 0.30 0.00 -0.02 0.00 0.00 35.03 34.65 2ae6 n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2ae6 n ASP 49 N 0.07 1.77 -4.17 4.39 8.00 -1.26 -4.96 116.55 120.39 2ae6 n ASP 49 Ca 0.00 -1.81 -0.24 0.00 0.71 0.00 0.00 54.79 53.45 2ae6 n ASP 49 Cb 0.00 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 40.80 2ae6 n ASP 49 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ae6 s GLU 50 N -1.69 1.30 -0.48 -1.24 2.02 -1.26 -5.12 118.70 112.23 2ae6 s GLU 50 Ca 0.29 -0.68 -0.20 0.00 0.02 0.00 0.00 54.97 54.40 2ae6 s GLU 50 Cb 0.16 -1.30 0.04 0.00 0.10 0.00 0.00 34.13 33.13 2ae6 s GLU 50 CO 0.23 0.35 0.65 0.99 0.02 0.00 0.00 175.26 177.50 2ae6 s THR 51 N -0.53 4.82 -0.10 3.63 2.01 -1.24 -5.04 115.64 119.18 2ae6 s THR 51 Ca 0.06 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.89 2ae6 s THR 51 Cb -0.07 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2ae6 s THR 51 CO 0.00 -0.75 -0.21 -0.63 -0.69 0.00 0.00 174.62 172.34 2ae6 s ILE 52 N 2.81 1.86 0.09 1.82 1.01 -1.26 -1.37 121.20 126.16 2ae6 s ILE 52 Ca 0.19 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.00 2ae6 s ILE 52 Cb -0.17 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2ae6 s ILE 52 CO 0.15 0.52 -0.06 -0.36 0.00 0.00 0.00 174.94 175.18 2ae6 s PHE 53 N 0.51 2.84 -0.04 3.97 0.40 0.72 -1.45 117.98 124.93 2ae6 s PHE 53 Ca -0.16 -0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 2ae6 s PHE 53 Cb -0.17 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 2ae6 s PHE 53 CO 0.06 0.44 -0.20 0.54 0.70 0.00 0.00 175.22 176.76 2ae6 s VAL 54 N -1.22 1.60 -0.27 -0.44 0.11 0.27 -1.16 120.40 119.28 2ae6 s VAL 54 Ca 0.22 -0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 2ae6 s VAL 54 Cb -0.11 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 2ae6 s VAL 54 CO 0.14 0.45 0.19 0.00 -3.33 0.00 0.00 175.10 172.55 2ae6 s ALA 55 N -0.15 3.54 -0.26 1.54 0.00 0.15 -1.53 121.76 125.05 2ae6 s ALA 55 Ca -0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2ae6 s ALA 55 Cb -0.11 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.55 2ae6 s ALA 55 CO 0.02 -0.51 0.01 0.42 0.00 0.00 0.00 175.76 175.70 2ae6 s ILE 56 N 1.67 3.59 -0.31 0.00 -1.09 0.27 -0.12 121.20 125.21 2ae6 s ILE 56 Ca 0.07 -0.63 -0.08 0.00 -2.23 0.00 0.00 60.65 57.78 2ae6 s ILE 56 Cb -0.16 -2.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2ae6 s ILE 56 CO 0.10 0.25 0.13 -0.55 -1.23 0.00 0.00 174.94 173.63 2ae6 s SER 57 N 1.47 5.38 1.82 3.58 0.15 0.41 -0.32 113.70 126.19 2ae6 s SER 57 Ca 0.04 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2ae6 s SER 57 Cb -0.16 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2ae6 s SER 57 CO -0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2ae6 n GLY 58 N 4.93 2.23 0.19 9.45 0.00 -0.45 -1.80 105.19 119.74 2ae6 n GLY 58 Ca -0.14 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 4.44 0.94 -4.18 1.61 -0.06 -1.26 -4.92 117.38 113.96 2ae6 n GLN 59 Ca 0.00 -2.10 -0.31 0.00 -2.00 0.00 0.00 57.00 52.59 2ae6 n GLN 59 Cb 0.00 -1.20 -0.08 0.00 -4.06 0.00 0.00 30.24 24.90 2ae6 n GLN 59 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2ae6 s GLN 60 N -2.02 2.68 -0.12 3.69 -0.21 -0.75 -5.08 119.66 117.85 2ae6 s GLN 60 Ca 0.22 -0.74 -0.29 0.00 0.02 0.00 0.00 55.36 54.57 2ae6 s GLN 60 Cb 0.19 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 2ae6 s GLN 60 CO 0.02 0.57 1.45 -1.17 -2.12 0.00 0.00 175.29 174.05 2ae6 s LEU 61 N -2.04 4.23 -0.06 2.90 2.96 -1.26 -0.45 118.68 124.97 2ae6 s LEU 61 Ca 0.24 1.93 0.16 0.00 -0.22 0.00 0.00 54.13 56.24 2ae6 s LEU 61 Cb -0.12 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.80 2ae6 s LEU 61 CO 0.16 -0.85 0.28 0.00 -1.32 0.00 0.00 176.35 174.62 2ae6 n ALA 62 N 6.91 2.36 0.00 5.97 0.00 0.82 -4.88 120.51 131.69 2ae6 n ALA 62 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2ae6 n ALA 62 Cb 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.68 -0.20 3.24 0.00 0.00 -1.12 -0.36 105.19 108.43 2ae6 n GLY 63 Ca -0.09 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 0.02 -0.04 1.61 -0.12 0.19 0.29 117.98 117.92 2ae6 s PHE 64 Ca 0.00 -0.34 0.04 0.00 -0.05 0.00 0.00 56.93 56.58 2ae6 s PHE 64 Cb 0.00 0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.43 2ae6 s PHE 64 CO 0.00 -0.56 -0.17 -1.50 -0.05 0.00 0.00 175.22 172.94 2ae6 s ILE 65 N -3.46 1.41 -0.03 -4.49 2.07 -0.31 -1.15 121.20 115.24 2ae6 s ILE 65 Ca 0.02 -0.71 0.07 0.00 -1.41 0.00 0.00 60.65 58.62 2ae6 s ILE 65 Cb 0.03 -1.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.39 2ae6 s ILE 65 CO -0.09 0.41 -0.25 -0.70 -1.91 0.00 0.00 174.94 172.40 2ae6 s GLU 66 N 0.03 2.21 0.03 3.50 -6.30 -0.13 -0.20 118.70 117.84 2ae6 s GLU 66 Ca -0.03 -0.88 0.03 0.00 -2.50 0.00 0.00 54.97 51.58 2ae6 s GLU 66 Cb -0.11 -2.02 -0.02 0.00 0.00 0.00 0.00 34.13 31.98 2ae6 s GLU 66 CO 0.02 0.47 -0.09 0.14 0.02 0.00 0.00 175.26 175.82 2ae6 s VAL 67 N -0.40 0.65 -0.08 3.70 -7.23 -0.47 -1.49 120.40 115.08 2ae6 s VAL 67 Ca 0.04 -0.88 -0.31 0.00 -1.81 0.00 0.00 61.98 59.02 2ae6 s VAL 67 Cb -0.11 -0.65 0.08 0.00 0.56 0.00 0.00 36.38 36.26 2ae6 s VAL 67 CO 0.01 -0.19 0.75 -1.38 -0.31 0.00 0.00 175.10 173.98 2ae6 s HIS 68 N -0.99 -0.60 0.40 2.82 -3.43 -1.10 -3.67 115.29 108.71 2ae6 s HIS 68 Ca -0.05 1.05 -0.26 0.00 -0.80 0.00 0.00 55.06 55.01 2ae6 s HIS 68 Cb -0.08 0.41 -0.11 0.00 -1.43 0.00 0.00 32.58 31.38 2ae6 s HIS 68 CO 0.01 -0.54 1.23 -2.30 -2.00 0.00 0.00 174.74 171.13 2ae6 n PRO 69 N 0.94 1.86 0.26 -0.38 -0.02 -1.25 -0.95 135.00 135.47 2ae6 n PRO 69 Ca -0.17 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 2ae6 n PRO 69 Cb 0.57 -2.30 0.67 0.00 -0.02 0.00 0.00 33.50 32.43 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 2.10 0.00 -4.52 0.52 0.13 -1.80 -3.44 132.00 124.99 2ae6 h PRO 70 Ca -0.47 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.36 2ae6 h PRO 70 Cb 1.30 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 2ae6 h PRO 70 CO 0.60 0.01 -0.46 0.95 -0.23 0.00 0.00 178.00 178.88 2ae6 s THR 71 N -4.97 0.00 -1.03 1.56 -4.23 -1.26 -5.05 115.64 100.66 2ae6 s THR 71 Ca -0.05 -1.87 0.25 0.00 -1.18 0.00 0.00 61.69 58.84 2ae6 s THR 71 Cb 0.17 -2.49 0.23 0.00 1.34 0.00 0.00 72.50 71.74 2ae6 s THR 71 CO 0.65 0.00 1.81 -1.20 -0.54 0.00 0.00 174.62 175.34 2ae6 n SER 72 N -0.88 0.00 -4.67 3.99 7.64 -1.26 -4.80 113.62 113.64 2ae6 n SER 72 Ca 0.03 0.46 -0.45 0.00 1.01 0.00 0.00 58.87 59.92 2ae6 n SER 72 Cb 0.64 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 2ae6 n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ae6 n LEU 73 N -1.48 3.05 -0.29 -3.43 4.32 -1.26 -4.88 117.00 113.02 2ae6 n LEU 73 Ca 0.07 1.13 0.10 0.00 -0.02 0.00 0.00 56.01 57.28 2ae6 n LEU 73 Cb 0.29 -1.42 0.33 0.00 -1.62 0.00 0.00 43.42 41.00 2ae6 n LEU 73 CO 0.23 -0.46 1.22 0.00 -1.22 0.00 0.00 177.39 177.16 2ae6 h ALA 74 N 4.61 1.73 0.00 -1.18 0.00 -2.02 -1.65 119.26 120.75 2ae6 h ALA 74 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ae6 h ALA 74 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2ae6 h ALA 74 CO 0.79 0.03 0.00 0.00 0.00 0.00 0.00 179.25 180.07 2ae6 h ALA 75 N 1.58 1.00 -0.07 0.00 0.00 -1.97 -1.88 119.26 117.93 2ae6 h ALA 75 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2ae6 h ALA 75 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2ae6 h ALA 75 CO -0.22 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.75 2ae6 n HIS 76 N -2.55 0.07 1.86 0.00 8.25 -0.62 -4.57 115.22 117.66 2ae6 n HIS 76 Ca 0.01 -0.03 0.16 0.00 -0.26 0.00 0.00 57.72 57.59 2ae6 n HIS 76 Cb 0.20 0.00 0.90 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 0.85 0.87 -0.66 -0.41 1.13 -0.71 -2.38 117.38 116.08 2ae6 n GLN 77 Ca 0.17 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.31 2ae6 n GLN 77 Cb 0.49 -1.50 0.34 0.00 0.11 0.00 0.00 30.24 29.67 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 -1.06 3.92 -4.73 -1.09 5.02 -1.26 -4.93 118.16 114.04 2ae6 n LYS 78 Ca 0.22 -2.95 -0.23 0.00 -2.02 0.00 0.00 58.31 53.32 2ae6 n LYS 78 Cb 0.13 -2.01 -0.15 0.00 -0.02 0.00 0.00 35.03 32.99 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 -2.53 1.27 -0.22 1.97 0.74 -1.00 -0.12 119.66 119.78 2ae6 s GLN 79 Ca 0.48 -0.58 -0.04 0.00 0.05 0.00 0.00 55.36 55.28 2ae6 s GLN 79 Cb 0.36 -1.24 -0.01 0.00 1.10 0.00 0.00 33.01 33.23 2ae6 s GLN 79 CO 0.15 0.34 -0.05 -1.58 -0.55 0.00 0.00 175.29 173.60 2ae6 s TRP 80 N -0.40 2.95 0.06 1.67 0.51 -0.27 -3.77 118.94 119.69 2ae6 s TRP 80 Ca 0.06 -0.98 -0.31 0.00 -2.12 0.00 0.00 56.10 52.75 2ae6 s TRP 80 Cb -0.06 -2.10 -0.06 0.00 -0.81 0.00 0.00 33.47 30.45 2ae6 s TRP 80 CO -0.00 -0.57 1.19 -1.17 -0.51 0.00 0.00 176.95 175.89 2ae6 s LEU 81 N 1.47 4.37 0.15 2.99 0.20 -0.12 -1.66 118.68 126.08 2ae6 s LEU 81 Ca 0.06 2.00 0.08 0.00 0.69 0.00 0.00 54.13 56.96 2ae6 s LEU 81 Cb -0.14 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 2ae6 s LEU 81 CO -0.04 -0.46 -0.09 -1.48 -0.29 0.00 0.00 176.35 173.99 2ae6 s LEU 82 N 1.06 3.00 -0.06 -0.68 0.05 -0.47 -2.71 118.68 118.88 2ae6 s LEU 82 Ca 0.58 -0.51 -0.02 0.00 0.05 0.00 0.00 54.13 54.23 2ae6 s LEU 82 Cb -0.29 -1.73 0.04 0.00 -2.05 0.00 0.00 46.19 42.16 2ae6 s LEU 82 CO 0.29 0.13 0.12 -0.55 -0.55 0.00 0.00 176.35 175.78 2ae6 s SER 83 N -2.62 0.48 -0.07 1.48 0.15 -0.55 -4.77 113.70 107.79 2ae6 s SER 83 Ca 0.24 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2ae6 s SER 83 Cb -0.10 0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 2ae6 s SER 83 CO 0.15 -0.20 -0.06 -0.63 1.20 0.00 0.00 173.24 173.70 2ae6 s ILE 84 N 1.77 3.81 -0.06 6.45 1.01 -1.26 -0.95 121.20 131.96 2ae6 s ILE 84 Ca -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2ae6 s ILE 84 Cb -0.12 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.80 2ae6 s ILE 84 CO -0.05 0.60 -0.06 -0.83 0.00 0.00 0.00 174.94 174.60 2ae6 s GLY 85 N -0.83 0.57 -0.09 6.18 0.00 -0.30 -5.00 107.32 107.85 2ae6 s GLY 85 Ca 0.13 -0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.69 2ae6 s GLY 85 CO 0.02 0.46 -0.23 0.14 0.00 0.00 0.00 173.10 173.49 2ae6 s VAL 86 N 1.02 2.22 0.53 1.40 1.01 -1.26 -0.64 120.40 124.68 2ae6 s VAL 86 Ca -0.09 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 2ae6 s VAL 86 Cb -0.14 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 2ae6 s VAL 86 CO -0.00 0.56 1.37 -0.55 0.00 0.00 0.00 175.10 176.47 2ae6 s SER 87 N 0.12 5.37 0.62 3.32 0.15 0.51 -4.90 113.70 118.90 2ae6 s SER 87 Ca -0.11 2.78 0.36 0.00 0.70 0.00 0.00 55.95 59.68 2ae6 s SER 87 Cb -0.16 -2.64 2.07 0.00 -1.71 0.00 0.00 66.02 63.58 2ae6 s SER 87 CO 0.06 -1.50 2.30 -0.65 1.20 0.00 0.00 173.24 174.65 2ae6 h PRO 88 N 1.60 0.00 -0.18 5.44 0.11 -1.93 -2.33 132.00 134.70 2ae6 h PRO 88 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2ae6 h PRO 88 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ae6 h PRO 88 CO 0.58 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 2ae6 n ASP 89 N -3.49 2.09 -2.40 -2.05 8.00 -1.26 -4.13 116.55 113.30 2ae6 n ASP 89 Ca -0.03 -1.76 -0.04 0.00 0.71 0.00 0.00 54.79 53.67 2ae6 n ASP 89 Cb 0.09 -0.11 0.05 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.60 1.30 -2.03 1.24 3.01 -0.88 -5.10 117.46 115.61 2ae6 n PHE 90 Ca 0.17 -1.89 -0.33 0.00 1.01 0.00 0.00 57.45 56.41 2ae6 n PHE 90 Cb 0.40 -0.24 0.01 0.00 -0.01 0.00 0.00 39.48 39.65 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 -3.20 3.26 -1.48 -1.08 -1.52 -1.20 -4.25 119.66 110.19 2ae6 s GLN 91 Ca 0.33 1.25 -0.06 0.00 -1.95 0.00 0.00 55.36 54.93 2ae6 s GLN 91 Cb 0.35 -2.02 0.05 0.00 -0.22 0.00 0.00 33.01 31.16 2ae6 s GLN 91 CO -0.05 -0.86 0.61 -0.25 -0.25 0.00 0.00 175.29 174.49 2ae6 n ASP 92 N -2.03 -1.68 -0.94 5.90 10.43 -1.26 -4.89 116.55 122.08 2ae6 n ASP 92 Ca 0.09 -0.95 0.04 0.00 2.57 0.00 0.00 54.79 56.54 2ae6 n ASP 92 Cb 0.53 -3.23 0.06 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 -4.42 0.38 -1.48 -1.24 10.64 -1.26 -5.00 117.38 115.00 2ae6 n GLN 93 Ca -0.18 -1.99 -0.10 0.00 -1.83 0.00 0.00 57.00 52.89 2ae6 n GLN 93 Cb 0.62 -0.54 -0.04 0.00 -0.86 0.00 0.00 30.24 29.42 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 -0.09 0.94 0.06 2.61 0.00 -1.26 -4.94 105.19 102.52 2ae6 n GLY 94 Ca 0.07 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 1.10 -0.39 -0.61 1.08 -1.95 -2.10 117.51 114.65 2ae6 h ILE 95 Ca -0.22 -0.31 0.07 0.00 -0.39 0.00 0.00 64.86 64.01 2ae6 h ILE 95 Cb 0.78 1.21 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 2ae6 h ILE 95 CO 0.31 0.09 0.04 1.23 -0.69 0.00 0.00 178.15 179.12 2ae6 h GLY 96 N -0.03 0.42 1.07 5.37 0.00 -1.94 -1.88 103.07 106.07 2ae6 h GLY 96 Ca 0.02 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 2ae6 h GLY 96 CO -0.00 -0.07 0.14 -1.33 0.00 0.00 0.00 176.54 175.28 2ae6 h GLY 97 N 0.15 1.21 0.99 4.60 0.00 -1.96 -1.75 103.07 106.31 2ae6 h GLY 97 Ca 0.19 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 2ae6 h GLY 97 CO -0.28 0.73 0.25 1.76 0.00 0.00 0.00 176.54 178.99 2ae6 h SER 98 N 1.05 0.77 -0.21 0.19 0.02 -1.01 -0.73 113.55 113.64 2ae6 h SER 98 Ca 0.21 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2ae6 h SER 98 Cb 0.41 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2ae6 h SER 98 CO 0.01 0.72 0.09 -0.07 -1.14 0.00 0.00 176.83 176.43 2ae6 h LEU 99 N 0.78 0.11 -0.44 5.07 3.38 -1.22 -1.31 115.31 121.69 2ae6 h LEU 99 Ca 0.19 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2ae6 h LEU 99 Cb 0.17 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2ae6 h LEU 99 CO -0.02 0.09 0.23 -0.07 0.09 0.00 0.00 178.44 178.77 2ae6 h LEU 100 N 0.19 0.35 -0.91 1.67 3.38 -1.12 -0.62 115.31 118.26 2ae6 h LEU 100 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ae6 h LEU 100 Cb 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2ae6 h LEU 100 CO -0.08 0.25 0.56 -1.28 0.09 0.00 0.00 178.44 177.98 2ae6 h SER 101 N 0.46 1.08 -0.38 -0.43 0.87 -1.05 -2.09 113.55 112.02 2ae6 h SER 101 Ca 0.19 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 2ae6 h SER 101 Cb 0.07 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2ae6 h SER 101 CO -0.12 0.82 -0.22 0.22 -0.53 0.00 0.00 176.83 177.00 2ae6 h TYR 102 N 1.25 0.94 -0.48 2.24 3.20 -0.88 -2.77 116.97 120.46 2ae6 h TYR 102 Ca 0.33 -0.25 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 2ae6 h TYR 102 Cb -0.07 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 2ae6 h TYR 102 CO 0.00 1.01 0.02 0.97 -1.64 0.00 0.00 178.16 178.52 2ae6 h ILE 103 N 0.61 1.24 -0.39 1.81 6.09 -0.97 -2.74 117.51 123.15 2ae6 h ILE 103 Ca 0.08 -0.97 -0.07 0.00 -1.37 0.00 0.00 64.86 62.53 2ae6 h ILE 103 Cb 0.78 0.85 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 2ae6 h ILE 103 CO 0.06 0.34 -0.05 0.11 -3.07 0.00 0.00 178.15 175.55 2ae6 h LYS 104 N 0.74 0.65 -1.04 2.19 1.57 -1.28 0.36 116.57 119.77 2ae6 h LYS 104 Ca 0.15 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ae6 h LYS 104 Cb 0.42 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2ae6 h LYS 104 CO 0.02 0.70 0.00 -0.25 -0.57 0.00 0.00 179.45 179.35 2ae6 n ASP 105 N -4.22 1.27 0.00 0.86 10.43 -1.04 -2.42 116.55 121.44 2ae6 n ASP 105 Ca 0.02 -1.21 0.00 0.00 2.57 0.00 0.00 54.79 56.16 2ae6 n ASP 105 Cb 0.30 -0.30 0.00 0.00 1.84 0.00 0.00 41.12 42.96 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 0.47 0.00 -0.20 2.24 0.00 0.12 -2.90 120.51 120.24 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 0.23 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.78 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 0.50 0.01 0.00 4.81 -1.68 0.50 114.58 118.71 2ae6 h GLU 108 Ca 0.00 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 2ae6 h GLU 108 Cb 0.00 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2ae6 h GLU 108 CO 0.00 0.33 -1.01 -0.84 -0.73 0.00 0.00 179.01 176.76 2ae6 h ILE 109 N 0.51 1.71 0.00 2.32 3.07 -1.84 -3.20 117.51 120.09 2ae6 h ILE 109 Ca 0.29 -3.41 0.00 0.00 1.55 0.00 0.00 64.86 63.29 2ae6 h ILE 109 Cb 0.27 2.85 0.00 0.00 -0.27 0.00 0.00 36.82 39.67 2ae6 h ILE 109 CO -0.23 0.97 0.00 -1.20 -1.05 0.00 0.00 178.15 176.64 2ae6 n SER 110 N -3.36 0.22 0.00 2.16 7.64 -1.01 -4.89 113.62 114.39 2ae6 n SER 110 Ca -0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2ae6 n SER 110 Cb 0.94 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.35 0.42 3.70 0.23 0.00 -0.54 -5.02 105.19 104.33 2ae6 n GLY 111 Ca 0.04 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 4.82 -0.09 -0.61 -1.09 0.05 -4.86 121.20 117.42 2ae6 s ILE 112 Ca 0.00 2.05 0.15 0.00 -2.23 0.00 0.00 60.65 60.62 2ae6 s ILE 112 Cb 0.00 -4.32 -0.14 0.00 -1.58 0.00 0.00 42.46 36.42 2ae6 s ILE 112 CO 0.00 0.07 0.86 -0.74 -1.23 0.00 0.00 174.94 173.91 2ae6 h HIS 113 N 6.97 0.00 -2.87 3.97 -0.00 -0.81 -3.39 115.15 119.00 2ae6 h HIS 113 Ca -0.35 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.87 2ae6 h HIS 113 Cb 1.18 0.00 -0.26 0.00 -0.00 0.00 0.00 27.41 28.33 2ae6 h HIS 113 CO 0.70 0.69 -0.34 0.21 -0.00 0.00 0.00 177.93 179.19 2ae6 s LYS 114 N -2.84 0.37 0.02 5.26 2.20 -1.14 -1.89 119.74 121.71 2ae6 s LYS 114 Ca -0.03 0.55 0.03 0.00 -0.36 0.00 0.00 55.97 56.16 2ae6 s LYS 114 Cb 0.08 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 2ae6 s LYS 114 CO 0.81 -0.09 -0.04 -0.51 -0.36 0.00 0.00 175.35 175.16 2ae6 s LEU 115 N 0.60 3.30 0.21 5.43 1.43 0.13 -1.12 118.68 128.67 2ae6 s LEU 115 Ca -0.03 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2ae6 s LEU 115 Cb -0.05 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2ae6 s LEU 115 CO -0.04 0.27 0.36 -0.94 0.23 0.00 0.00 176.35 176.23 2ae6 s SER 116 N -1.60 -0.01 0.18 2.29 1.04 -0.66 -0.02 113.70 114.91 2ae6 s SER 116 Ca 0.19 -0.98 -0.24 0.00 0.48 0.00 0.00 55.95 55.40 2ae6 s SER 116 Cb -0.11 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2ae6 s SER 116 CO 0.10 -1.01 0.81 -1.48 0.98 0.00 0.00 173.24 172.64 2ae6 s LEU 117 N -3.03 -0.29 -0.00 2.42 2.34 -0.88 -1.36 118.68 117.88 2ae6 s LEU 117 Ca 0.24 -0.36 0.01 0.00 0.06 0.00 0.00 54.13 54.07 2ae6 s LEU 117 Cb 0.02 2.40 -0.04 0.00 -0.56 0.00 0.00 46.19 48.02 2ae6 s LEU 117 CO 0.07 -1.03 0.04 -0.13 -1.06 0.00 0.00 176.35 174.24 2ae6 s ARG 118 N -3.55 2.92 0.00 1.48 0.52 -1.26 -1.05 118.95 118.01 2ae6 s ARG 118 Ca 0.09 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2ae6 s ARG 118 Cb -0.03 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.68 2ae6 s ARG 118 CO 0.00 0.64 0.00 1.55 0.02 0.00 0.00 175.30 177.51 2ae6 n VAL 119 N 1.29 0.00 -0.09 3.52 3.14 0.13 -4.98 118.33 121.34 2ae6 n VAL 119 Ca -0.14 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.12 2ae6 n VAL 119 Cb 0.53 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.20 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 1.58 1.13 1.55 0.00 -0.78 0.12 120.51 121.11 2ae6 n ALA 121 Ca 0.00 -0.94 0.12 0.00 0.00 0.00 0.00 53.44 52.62 2ae6 n ALA 121 Cb 0.00 -0.02 0.62 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.90 0.20 -2.86 0.00 -2.24 -1.26 -4.42 114.28 100.80 2ae6 n THR 122 Ca -0.32 0.05 -0.44 0.00 -2.27 0.00 0.00 64.05 61.07 2ae6 n THR 122 Cb 0.94 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.34 5.36 -0.24 3.42 2.85 -1.26 -4.82 115.26 119.24 2ae6 n ASN 123 Ca 0.11 -3.07 -0.04 0.00 -0.11 0.00 0.00 54.58 51.47 2ae6 n ASN 123 Cb 0.22 -1.49 0.06 0.00 1.24 0.00 0.00 39.78 39.82 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 6.52 0.85 0.03 1.20 4.15 -2.00 -1.95 115.11 123.90 2ae6 h GLN 124 Ca 0.30 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.69 2ae6 h GLN 124 Cb 0.78 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2ae6 h GLN 124 CO 1.32 0.56 -0.09 1.49 -1.93 0.00 0.00 178.83 180.18 2ae6 h GLU 125 N 0.87 -0.16 -0.65 1.69 4.81 -1.98 -1.04 114.58 118.12 2ae6 h GLU 125 Ca 0.26 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2ae6 h GLU 125 Cb -0.04 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2ae6 h GLU 125 CO -0.08 -0.11 0.36 0.00 -0.73 0.00 0.00 179.01 178.45 2ae6 h ALA 126 N 0.79 0.83 -0.22 2.92 0.00 -1.93 -0.82 119.26 120.84 2ae6 h ALA 126 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ae6 h ALA 126 Cb 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2ae6 h ALA 126 CO -0.07 0.35 -0.11 0.82 0.00 0.00 0.00 179.25 180.24 2ae6 h ILE 127 N 0.89 0.66 -0.52 0.00 2.04 -1.22 -0.61 117.51 118.75 2ae6 h ILE 127 Ca 0.23 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.04 2ae6 h ILE 127 Cb 0.04 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2ae6 h ILE 127 CO -0.04 0.00 0.14 0.03 0.00 0.00 0.00 178.15 178.29 2ae6 h ARG 128 N -0.08 0.83 0.23 2.37 3.08 -0.93 -1.45 114.38 118.44 2ae6 h ARG 128 Ca 0.12 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2ae6 h ARG 128 Cb 0.26 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 2ae6 h ARG 128 CO -0.28 0.78 -0.44 0.35 -1.07 0.00 0.00 179.97 179.31 2ae6 h PHE 129 N 0.73 -1.24 -0.60 3.04 3.57 -0.78 0.14 116.94 121.80 2ae6 h PHE 129 Ca 0.17 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2ae6 h PHE 129 Cb 0.31 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2ae6 h PHE 129 CO 0.02 -0.56 0.06 1.88 -2.23 0.00 0.00 178.31 177.48 2ae6 h TYR 130 N -0.75 1.09 -0.73 0.41 -1.99 -1.08 -1.57 116.97 112.35 2ae6 h TYR 130 Ca -0.01 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.50 2ae6 h TYR 130 Cb 0.73 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 2ae6 h TYR 130 CO -0.33 0.95 0.21 0.93 -0.00 0.00 0.00 178.16 179.92 2ae6 h GLU 131 N 0.92 1.14 -0.49 4.88 5.08 -1.26 -0.92 114.58 123.91 2ae6 h GLU 131 Ca 0.18 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2ae6 h GLU 131 Cb 0.47 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2ae6 h GLU 131 CO 0.02 0.98 0.33 -0.22 -1.00 0.00 0.00 179.01 179.12 2ae6 h LYS 132 N 1.09 0.43 -0.78 2.33 3.64 -0.35 -2.08 116.57 120.85 2ae6 h LYS 132 Ca 0.23 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2ae6 h LYS 132 Cb 0.33 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2ae6 h LYS 132 CO -0.00 0.28 0.05 0.72 -2.27 0.00 0.00 179.45 178.23 2ae6 n HIS 133 N -4.47 1.35 -0.90 1.91 8.25 -0.58 -4.88 115.22 115.89 2ae6 n HIS 133 Ca 0.07 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 2ae6 n HIS 133 Cb 0.24 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 0.26 0.50 3.80 -1.41 0.00 -0.78 -5.04 105.19 102.52 2ae6 n GLY 134 Ca 0.19 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 3.67 0.08 1.61 0.40 -0.46 -4.76 117.98 116.53 2ae6 s PHE 135 Ca 0.00 1.56 0.10 0.00 -0.60 0.00 0.00 56.93 57.99 2ae6 s PHE 135 Cb 0.00 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 2ae6 s PHE 135 CO 0.00 0.28 -0.25 0.14 0.70 0.00 0.00 175.22 176.09 2ae6 s VAL 136 N -1.56 2.30 0.05 -0.44 -7.23 0.18 -4.18 120.40 109.52 2ae6 s VAL 136 Ca 0.46 -1.53 -0.31 0.00 -1.81 0.00 0.00 61.98 58.80 2ae6 s VAL 136 Cb -0.18 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 2ae6 s VAL 136 CO 0.22 0.24 1.35 -1.58 -0.31 0.00 0.00 175.10 175.01 2ae6 s GLN 137 N -1.64 4.33 -0.01 4.82 0.74 -1.26 -0.88 119.66 125.76 2ae6 s GLN 137 Ca 0.13 1.95 0.10 0.00 0.05 0.00 0.00 55.36 57.60 2ae6 s GLN 137 Cb -0.10 -3.40 -0.15 0.00 1.10 0.00 0.00 33.01 30.46 2ae6 s GLN 137 CO 0.04 -0.45 0.27 0.39 -0.55 0.00 0.00 175.29 175.00 2ae6 n GLU 138 N 4.52 1.17 -3.74 1.67 1.02 0.42 -4.94 120.64 120.77 2ae6 n GLU 138 Ca 0.12 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 2ae6 n GLU 138 Cb 0.44 -1.17 -0.10 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.51 -0.93 -0.39 0.62 0.00 -1.15 -4.96 121.76 112.43 2ae6 s ALA 139 Ca -0.02 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.87 2ae6 s ALA 139 Cb 0.07 -0.44 0.12 0.00 0.00 0.00 0.00 23.12 22.86 2ae6 s ALA 139 CO 0.42 -0.21 0.16 -1.58 0.00 0.00 0.00 175.76 174.55 2ae6 s HIS 140 N -0.20 2.52 -0.50 0.00 2.46 -1.26 -2.10 115.29 116.21 2ae6 s HIS 140 Ca -0.04 -2.49 -0.29 0.00 0.47 0.00 0.00 55.06 52.72 2ae6 s HIS 140 Cb -0.03 -2.24 0.03 0.00 -0.13 0.00 0.00 32.58 30.21 2ae6 s HIS 140 CO 0.02 -0.84 1.13 -0.06 -2.47 0.00 0.00 174.74 172.52 2ae6 s PHE 141 N 0.73 2.77 0.11 3.88 0.40 0.73 -4.95 117.98 121.65 2ae6 s PHE 141 Ca 0.14 0.61 -0.20 0.00 -0.60 0.00 0.00 56.93 56.89 2ae6 s PHE 141 Cb -0.21 -4.43 -0.07 0.00 0.51 0.00 0.00 43.02 38.82 2ae6 s PHE 141 CO -0.09 -1.34 0.62 0.15 0.70 0.00 0.00 175.22 175.26 2ae6 s LYS 142 N 4.52 4.23 -1.35 0.44 1.02 -1.26 -1.35 119.74 126.00 2ae6 s LYS 142 Ca 0.46 0.78 -0.04 0.00 0.02 0.00 0.00 55.97 57.20 2ae6 s LYS 142 Cb -0.07 -3.16 -0.00 0.00 -0.52 0.00 0.00 37.83 34.08 2ae6 s LYS 142 CO 0.30 0.58 0.52 0.39 -0.92 0.00 0.00 175.35 176.22 2ae6 n GLU 143 N 1.46 -3.19 -0.07 1.68 1.02 -1.25 -4.88 120.64 115.41 2ae6 n GLU 143 Ca -0.08 0.44 -0.22 0.00 -0.02 0.00 0.00 57.16 57.28 2ae6 n GLU 143 Cb 0.51 -4.54 -0.12 0.00 -0.02 0.00 0.00 31.44 27.26 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 -4.35 0.67 -4.69 3.49 4.07 0.16 -4.78 120.64 115.20 2ae6 n GLU 144 Ca -0.27 0.31 -0.33 0.00 -0.06 0.00 0.00 57.16 56.81 2ae6 n GLU 144 Cb 0.67 -1.65 -0.15 0.00 -0.06 0.00 0.00 31.44 30.25 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 -2.50 2.75 -0.26 4.31 2.99 -0.73 -4.93 117.98 119.61 2ae6 s PHE 145 Ca -0.29 -0.98 -0.25 0.00 0.00 0.00 0.00 56.93 55.41 2ae6 s PHE 145 Cb 0.08 -1.85 -0.00 0.00 0.00 0.00 0.00 43.02 41.25 2ae6 s PHE 145 CO 0.65 -0.42 0.86 -0.47 -0.00 0.00 0.00 175.22 175.84 2ae6 s TYR 146 N 0.65 3.28 -0.23 0.36 5.04 -1.26 -0.26 117.35 124.92 2ae6 s TYR 146 Ca -0.09 1.10 -0.00 0.00 -2.44 0.00 0.00 57.07 55.64 2ae6 s TYR 146 Cb -0.16 -3.16 0.06 0.00 0.35 0.00 0.00 41.96 39.06 2ae6 s TYR 146 CO 0.02 -0.48 -0.01 0.42 -1.34 0.00 0.00 175.55 174.17 2ae6 s ILE 147 N 2.97 1.22 -1.45 3.14 -1.09 0.97 -4.88 121.20 122.09 2ae6 s ILE 147 Ca 0.36 -1.09 -0.05 0.00 -2.23 0.00 0.00 60.65 57.64 2ae6 s ILE 147 Cb -0.15 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 2ae6 s ILE 147 CO 0.09 -0.20 0.25 -3.20 -1.23 0.00 0.00 174.94 170.66 2ae6 n ASN 148 N 4.77 -0.29 0.00 3.58 5.15 -1.26 -1.55 115.26 125.67 2ae6 n ASN 148 Ca -0.10 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.71 2ae6 n ASN 148 Cb 0.45 -2.20 0.00 0.00 -0.53 0.00 0.00 39.78 37.50 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 -2.28 1.56 3.33 8.20 0.00 -1.26 -5.05 105.19 109.69 2ae6 n GLY 149 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.37 1.86 -0.08 1.61 -3.43 -0.59 -5.14 115.29 107.15 2ae6 s HIS 150 Ca 0.00 -0.45 -0.11 0.00 -0.80 0.00 0.00 55.06 53.70 2ae6 s HIS 150 Cb 0.00 -0.94 -0.05 0.00 -1.43 0.00 0.00 32.58 30.16 2ae6 s HIS 150 CO 0.00 0.33 0.26 0.71 -2.00 0.00 0.00 174.74 174.03 2ae6 s TYR 151 N -1.86 3.63 0.06 0.38 1.51 -1.26 -0.02 117.35 119.79 2ae6 s TYR 151 Ca 0.15 0.71 0.09 0.00 -1.01 0.00 0.00 57.07 57.01 2ae6 s TYR 151 Cb -0.07 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2ae6 s TYR 151 CO 0.06 0.64 -0.26 0.00 -1.11 0.00 0.00 175.55 174.89 2ae6 s ASP 153 N -1.37 6.38 0.01 0.00 1.01 -1.26 -0.67 116.67 120.77 2ae6 s ASP 153 Ca 0.12 0.93 0.00 0.00 0.71 0.00 0.00 52.55 54.31 2ae6 s ASP 153 Cb -0.10 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 2ae6 s ASP 153 CO 0.03 -0.44 -0.03 -0.62 0.21 0.00 0.00 175.17 174.31 2ae6 s ASP 154 N -3.65 0.27 0.14 0.27 2.15 -0.45 -1.86 116.67 113.54 2ae6 s ASP 154 Ca 0.48 -0.31 0.08 0.00 0.43 0.00 0.00 52.55 53.23 2ae6 s ASP 154 Cb -0.10 0.04 -0.04 0.00 -0.30 0.00 0.00 42.92 42.52 2ae6 s ASP 154 CO 0.38 -0.16 -0.08 -0.31 -0.17 0.00 0.00 175.17 174.83 2ae6 s TYR 155 N -0.85 2.73 -0.12 -5.34 4.12 0.12 -0.19 117.35 117.81 2ae6 s TYR 155 Ca -0.08 -0.17 -0.00 0.00 0.02 0.00 0.00 57.07 56.83 2ae6 s TYR 155 Cb -0.06 -1.38 -0.02 0.00 -1.52 0.00 0.00 41.96 38.98 2ae6 s TYR 155 CO -0.00 0.47 -0.12 -1.14 0.02 0.00 0.00 175.55 174.78 2ae6 s GLN 156 N -2.52 3.31 0.04 -0.62 0.74 -0.89 -0.69 119.66 119.03 2ae6 s GLN 156 Ca 0.23 -0.66 0.03 0.00 0.05 0.00 0.00 55.36 55.02 2ae6 s GLN 156 Cb -0.10 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 2ae6 s GLN 156 CO 0.15 0.28 -0.03 0.71 -0.55 0.00 0.00 175.29 175.85 2ae6 s TYR 157 N 0.20 2.97 0.05 1.67 1.51 -0.22 -0.43 117.35 123.10 2ae6 s TYR 157 Ca -0.07 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 2ae6 s TYR 157 Cb -0.15 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 2ae6 s TYR 157 CO 0.05 0.44 -0.11 0.00 -1.11 0.00 0.00 175.55 174.81 2ae6 s ALA 158 N -1.14 0.90 -0.07 3.71 0.00 -0.06 -2.08 121.76 123.02 2ae6 s ALA 158 Ca 0.21 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2ae6 s ALA 158 Cb -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2ae6 s ALA 158 CO 0.12 0.10 -0.16 -0.47 0.00 0.00 0.00 175.76 175.35 2ae6 s TYR 159 N -1.19 1.76 -0.35 0.00 5.04 0.97 -0.65 117.35 122.93 2ae6 s TYR 159 Ca -0.04 -0.64 -0.12 0.00 -2.44 0.00 0.00 57.07 53.83 2ae6 s TYR 159 Cb -0.09 -1.23 -0.00 0.00 0.35 0.00 0.00 41.96 40.99 2ae6 s TYR 159 CO 0.01 -0.28 0.22 -0.06 -1.34 0.00 0.00 175.55 174.10 2ae6 s PHE 160 N 0.44 3.22 -2.00 4.97 0.40 -1.26 -0.69 117.98 123.05 2ae6 s PHE 160 Ca -0.13 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 2ae6 s PHE 160 Cb -0.15 -2.45 0.21 0.00 0.51 0.00 0.00 43.02 41.13 2ae6 s PHE 160 CO 0.05 -0.47 0.69 -0.89 0.70 0.00 0.00 175.22 175.30