#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ae6 s THR 6 N 0.00 1.50 -0.20 1.96 -1.32 0.58 -4.95 115.64 113.21 2ae6 s THR 6 Ca 0.00 -0.67 -0.03 0.00 -1.21 0.00 0.00 61.69 59.78 2ae6 s THR 6 Cb 0.00 -1.35 -0.01 0.00 -1.51 0.00 0.00 72.50 69.63 2ae6 s THR 6 CO 0.00 0.44 -0.06 -0.63 -2.21 0.00 0.00 174.62 172.16 2ae6 s ILE 7 N 0.72 3.30 0.16 5.08 1.01 -1.26 0.04 121.20 130.24 2ae6 s ILE 7 Ca -0.12 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 2ae6 s ILE 7 Cb -0.16 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 2ae6 s ILE 7 CO 0.03 0.45 0.27 0.00 0.00 0.00 0.00 174.94 175.68 2ae6 s ARG 8 N 1.23 1.13 0.80 2.79 1.70 -1.07 -4.99 118.95 120.55 2ae6 s ARG 8 Ca 0.03 -1.19 -0.11 0.00 -0.47 0.00 0.00 55.73 54.00 2ae6 s ARG 8 Cb -0.14 0.37 0.07 0.00 -0.57 0.00 0.00 34.95 34.68 2ae6 s ARG 8 CO -0.02 -0.41 1.10 -0.48 -1.08 0.00 0.00 175.30 174.41 2ae6 s LEU 9 N -2.97 2.94 0.33 -1.89 2.34 -1.26 -0.60 118.68 117.57 2ae6 s LEU 9 Ca 0.17 1.84 -0.29 0.00 0.06 0.00 0.00 54.13 55.92 2ae6 s LEU 9 Cb 0.04 -4.47 -0.12 0.00 -0.56 0.00 0.00 46.19 41.07 2ae6 s LEU 9 CO -0.00 -2.23 1.38 0.55 -1.06 0.00 0.00 176.35 174.98 2ae6 n VAL 10 N -3.65 1.79 -4.28 1.48 3.14 -0.12 -4.65 118.33 112.04 2ae6 n VAL 10 Ca 0.09 -0.45 -0.23 0.00 -2.96 0.00 0.00 64.34 60.79 2ae6 n VAL 10 Cb 0.53 -1.69 -0.07 0.00 -1.06 0.00 0.00 33.84 31.55 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 -0.88 3.18 -2.00 1.55 0.00 -1.26 -5.01 121.76 117.34 2ae6 s ALA 11 Ca 0.57 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2ae6 s ALA 11 Cb -0.55 -0.81 0.40 0.00 0.00 0.00 0.00 23.12 22.17 2ae6 s ALA 11 CO 0.60 0.28 0.85 0.39 0.00 0.00 0.00 175.76 177.88 2ae6 n GLU 12 N -0.85 0.23 0.00 0.00 1.02 -1.26 -1.38 120.64 118.40 2ae6 n GLU 12 Ca -0.07 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.13 2ae6 n GLU 12 Cb 0.59 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.48 2ae6 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ae6 n ALA 13 N -0.97 3.52 1.03 0.62 0.00 -1.26 -4.62 120.51 118.83 2ae6 n ALA 13 Ca 0.05 -0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.24 2ae6 n ALA 13 Cb 0.02 -0.46 0.40 0.00 0.00 0.00 0.00 19.45 19.41 2ae6 n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ae6 n ASP 14 N -1.09 0.34 0.17 0.00 8.00 -0.48 -4.46 116.55 119.04 2ae6 n ASP 14 Ca 0.03 -0.03 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2ae6 n ASP 14 Cb 0.21 -0.02 0.34 0.00 -0.02 0.00 0.00 41.12 41.62 2ae6 n ASP 14 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2ae6 h TRP 15 N 0.06 0.03 0.00 1.24 4.06 -1.82 -0.74 115.95 118.78 2ae6 h TRP 15 Ca 0.00 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 2ae6 h TRP 15 Cb 0.49 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 2ae6 h TRP 15 CO 0.00 0.41 -0.49 -1.35 -3.56 0.00 0.00 178.44 173.45 2ae6 h PRO 16 N 0.02 0.00 0.00 0.49 0.11 -1.95 -2.43 132.00 128.24 2ae6 h PRO 16 Ca -0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 2ae6 h PRO 16 Cb 0.69 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.75 2ae6 h PRO 16 CO 0.05 0.49 -1.76 0.00 -0.21 0.00 0.00 178.00 176.57 2ae6 n ALA 17 N -2.37 1.49 -0.07 -0.75 0.00 -1.11 -3.38 120.51 114.33 2ae6 n ALA 17 Ca -0.01 -0.80 -0.14 0.00 0.00 0.00 0.00 53.44 52.49 2ae6 n ALA 17 Cb 0.55 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2ae6 n ALA 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ae6 h LEU 18 N 0.00 0.70 -1.10 0.00 5.85 -1.18 -1.71 115.31 117.87 2ae6 h LEU 18 Ca -0.30 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 57.84 2ae6 h LEU 18 Cb 2.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 2ae6 h LEU 18 CO 0.08 1.11 0.17 -0.74 -0.34 0.00 0.00 178.44 178.72 2ae6 h HIS 19 N 0.32 0.82 -0.67 1.25 2.76 -1.62 -2.54 115.15 115.47 2ae6 h HIS 19 Ca 0.01 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 2ae6 h HIS 19 Cb 0.98 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 2ae6 h HIS 19 CO 0.09 0.67 0.32 0.00 -1.30 0.00 0.00 177.93 177.70 2ae6 h ALA 20 N 1.40 1.29 -0.20 5.26 0.00 -1.54 -2.60 119.26 122.87 2ae6 h ALA 20 Ca 0.18 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2ae6 h ALA 20 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2ae6 h ALA 20 CO -0.01 0.54 -0.34 1.25 0.00 0.00 0.00 179.25 180.70 2ae6 h LEU 21 N 0.95 0.43 -0.97 0.00 6.46 -0.95 -3.22 115.31 118.01 2ae6 h LEU 21 Ca 0.23 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2ae6 h LEU 21 Cb 0.11 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 2ae6 h LEU 21 CO -0.03 0.75 0.36 0.44 -0.62 0.00 0.00 178.44 179.34 2ae6 h ASP 22 N 0.36 0.99 0.72 1.25 5.19 -1.07 -2.84 116.42 121.02 2ae6 h ASP 22 Ca 0.04 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 2ae6 h ASP 22 Cb 0.77 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 2ae6 h ASP 22 CO 0.06 0.84 -0.20 1.56 -3.12 0.00 0.00 179.24 178.38 2ae6 h GLN 23 N 1.08 0.00 0.16 3.56 4.20 -1.54 -3.15 115.11 119.43 2ae6 h GLN 23 Ca 0.26 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.63 2ae6 h GLN 23 Cb 0.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2ae6 h GLN 23 CO -0.03 0.20 -1.78 0.82 -0.67 0.00 0.00 178.83 177.37 2ae6 h ILE 24 N 0.00 0.89 0.00 2.54 2.04 -1.63 -3.53 117.51 117.82 2ae6 h ILE 24 Ca -0.00 -2.52 -0.15 0.00 1.00 0.00 0.00 64.86 63.18 2ae6 h ILE 24 Cb 0.62 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 2ae6 h ILE 24 CO 0.03 0.85 -1.63 2.30 0.00 0.00 0.00 178.15 179.70 2ae6 n ILE 25 N -3.53 0.96 -1.10 -0.67 -5.35 -1.08 -5.12 119.36 103.46 2ae6 n ILE 25 Ca -0.25 -0.67 -0.41 0.00 -0.27 0.00 0.00 62.75 61.15 2ae6 n ILE 25 Cb 1.07 -0.53 -0.04 0.00 -1.74 0.00 0.00 39.64 38.39 2ae6 n ILE 25 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2ae6 n SER 39 N -2.74 -0.44 0.17 7.28 2.88 -1.26 -5.08 113.62 114.43 2ae6 n SER 39 Ca -0.12 0.87 0.01 0.00 -1.33 0.00 0.00 58.87 58.31 2ae6 n SER 39 Cb 0.82 -0.71 0.28 0.00 -0.75 0.00 0.00 64.21 63.85 2ae6 n SER 39 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2ae6 h LEU 40 N 1.57 0.00 -0.06 2.46 5.85 -1.98 -0.27 115.31 122.88 2ae6 h LEU 40 Ca -0.31 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.17 2ae6 h LEU 40 Cb 1.09 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.12 2ae6 h LEU 40 CO 0.46 0.48 -1.06 0.00 -0.34 0.00 0.00 178.44 177.98 2ae6 h ALA 41 N 1.52 0.25 -0.04 1.25 0.00 -2.01 -2.74 119.26 117.50 2ae6 h ALA 41 Ca -0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 2ae6 h ALA 41 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2ae6 h ALA 41 CO 0.06 0.85 -0.77 0.00 0.00 0.00 0.00 179.25 179.40 2ae6 h ALA 42 N 0.65 0.61 0.03 0.00 0.00 -1.96 -3.11 119.26 115.48 2ae6 h ALA 42 Ca -0.11 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 2ae6 h ALA 42 Cb 1.73 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.47 2ae6 h ALA 42 CO 0.18 0.81 -0.52 -0.92 0.00 0.00 0.00 179.25 178.81 2ae6 h TYR 43 N 0.19 0.47 -0.97 0.00 3.20 -1.12 -0.34 116.97 118.40 2ae6 h TYR 43 Ca -0.03 -0.28 0.09 0.00 3.14 0.00 0.00 58.73 61.65 2ae6 h TYR 43 Cb 1.35 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 39.50 2ae6 h TYR 43 CO 0.03 1.12 0.61 1.96 -1.64 0.00 0.00 178.16 180.24 2ae6 h GLN 44 N -0.30 1.01 -0.26 1.82 4.20 -1.62 -1.96 115.11 117.99 2ae6 h GLN 44 Ca -0.07 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 2ae6 h GLN 44 Cb 1.28 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 2ae6 h GLN 44 CO 0.10 0.67 -0.43 1.49 -0.67 0.00 0.00 178.83 179.99 2ae6 h GLU 45 N 1.04 0.64 -0.38 1.46 4.57 -1.53 -2.52 114.58 117.86 2ae6 h GLU 45 Ca 0.45 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2ae6 h GLU 45 Cb 0.33 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2ae6 h GLU 45 CO -0.22 0.95 0.00 1.17 -1.18 0.00 0.00 179.01 179.73 2ae6 n LYS 46 N -4.02 0.39 0.00 1.92 4.81 -0.14 -4.83 118.16 116.29 2ae6 n LYS 46 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2ae6 n LYS 46 Cb 0.54 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.40 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 0.28 0.00 -0.70 1.64 4.76 -0.95 -4.91 118.16 118.28 2ae6 n LYS 48 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 2ae6 n LYS 48 Cb 0.09 0.00 0.33 0.00 -1.84 0.00 0.00 35.03 33.62 2ae6 n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ae6 n ASP 49 N 0.00 4.77 -4.82 4.39 -0.08 -1.26 -4.97 116.55 114.58 2ae6 n ASP 49 Ca 0.00 -2.69 -0.38 0.00 -1.51 0.00 0.00 54.79 50.21 2ae6 n ASP 49 Cb 0.00 -0.63 -0.06 0.00 2.34 0.00 0.00 41.12 42.77 2ae6 n ASP 49 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2ae6 s GLU 50 N -2.32 4.11 -0.67 -0.67 0.41 -1.26 -5.02 118.70 113.28 2ae6 s GLU 50 Ca 0.45 0.64 -0.27 0.00 -0.41 0.00 0.00 54.97 55.37 2ae6 s GLU 50 Cb 0.33 -3.20 0.03 0.00 -1.78 0.00 0.00 34.13 29.51 2ae6 s GLU 50 CO 0.15 0.63 1.23 0.99 -0.49 0.00 0.00 175.26 177.78 2ae6 s THR 51 N -1.14 3.87 -0.06 3.63 2.01 -1.26 -4.98 115.64 117.70 2ae6 s THR 51 Ca 0.29 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.94 2ae6 s THR 51 Cb -0.18 -4.83 0.01 0.00 0.01 0.00 0.00 72.50 67.51 2ae6 s THR 51 CO 0.18 -1.62 -0.15 -0.63 -0.69 0.00 0.00 174.62 171.71 2ae6 s ILE 52 N 5.35 1.30 -0.06 1.82 1.01 -1.26 -2.22 121.20 127.14 2ae6 s ILE 52 Ca 0.38 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2ae6 s ILE 52 Cb -0.08 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 2ae6 s ILE 52 CO 0.20 0.39 -0.10 -0.36 0.00 0.00 0.00 174.94 175.07 2ae6 s PHE 53 N 0.46 2.85 0.05 3.97 0.40 -0.30 -0.94 117.98 124.47 2ae6 s PHE 53 Ca -0.12 -0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 2ae6 s PHE 53 Cb -0.15 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 2ae6 s PHE 53 CO 0.04 0.28 -0.17 0.14 0.70 0.00 0.00 175.22 176.21 2ae6 s VAL 54 N -0.79 2.89 -0.26 -0.44 -7.23 0.23 -0.77 120.40 114.04 2ae6 s VAL 54 Ca 0.12 -1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 2ae6 s VAL 54 Cb -0.11 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2ae6 s VAL 54 CO 0.01 0.29 0.20 0.00 -0.31 0.00 0.00 175.10 175.29 2ae6 s ALA 55 N -0.98 3.56 -0.20 1.32 0.00 0.29 -2.59 121.76 123.15 2ae6 s ALA 55 Ca 0.16 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 2ae6 s ALA 55 Cb -0.11 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 2ae6 s ALA 55 CO 0.07 -0.43 -0.06 0.42 0.00 0.00 0.00 175.76 175.75 2ae6 s ILE 56 N 1.54 3.28 -0.80 0.00 -1.09 0.11 -0.15 121.20 124.08 2ae6 s ILE 56 Ca 0.08 -0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 57.93 2ae6 s ILE 56 Cb -0.15 -2.47 0.20 0.00 -1.58 0.00 0.00 42.46 38.46 2ae6 s ILE 56 CO 0.09 0.45 0.67 -0.55 -1.23 0.00 0.00 174.94 174.37 2ae6 s SER 57 N 1.28 5.82 -0.43 3.58 0.15 0.42 -0.31 113.70 124.20 2ae6 s SER 57 Ca 0.03 -3.36 -0.01 0.00 0.70 0.00 0.00 55.95 53.32 2ae6 s SER 57 Cb -0.14 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2ae6 s SER 57 CO -0.03 -0.27 0.41 0.61 1.20 0.00 0.00 173.24 175.16 2ae6 n GLY 58 N 2.84 -0.87 3.03 9.45 0.00 -1.26 -3.51 105.19 114.87 2ae6 n GLY 58 Ca 0.16 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.39 -1.87 -5.18 1.61 7.27 -1.26 -4.94 117.38 111.61 2ae6 n GLN 59 Ca 0.00 0.47 -0.31 0.00 0.07 0.00 0.00 57.00 57.23 2ae6 n GLN 59 Cb 0.49 -4.94 -0.17 0.00 2.41 0.00 0.00 30.24 28.02 2ae6 n GLN 59 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ae6 s GLN 60 N -1.92 2.87 -0.64 3.69 0.74 -1.23 -5.09 119.66 118.08 2ae6 s GLN 60 Ca 0.00 -0.85 -0.27 0.00 0.05 0.00 0.00 55.36 54.29 2ae6 s GLN 60 Cb 0.00 -2.21 0.01 0.00 1.10 0.00 0.00 33.01 31.91 2ae6 s GLN 60 CO 0.00 0.20 1.51 -1.17 -0.55 0.00 0.00 175.29 175.28 2ae6 s LEU 61 N 0.28 3.28 0.04 3.68 2.96 -1.26 -0.44 118.68 127.22 2ae6 s LEU 61 Ca -0.16 0.05 0.13 0.00 -0.22 0.00 0.00 54.13 53.93 2ae6 s LEU 61 Cb -0.17 -2.72 -0.18 0.00 0.50 0.00 0.00 46.19 43.62 2ae6 s LEU 61 CO 0.08 -1.96 0.90 0.00 -1.32 0.00 0.00 176.35 174.05 2ae6 h ALA 62 N 11.90 0.65 -2.11 5.97 0.00 -0.91 -3.44 119.26 131.32 2ae6 h ALA 62 Ca -0.27 -1.12 0.29 0.00 0.00 0.00 0.00 54.91 53.81 2ae6 h ALA 62 Cb 1.10 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 2ae6 h ALA 62 CO 1.22 1.28 0.80 0.20 0.00 0.00 0.00 179.25 182.75 2ae6 s GLY 63 N -4.89 -0.12 0.05 0.00 0.00 -1.15 -0.47 107.32 100.73 2ae6 s GLY 63 Ca -0.02 0.07 -0.24 0.00 0.00 0.00 0.00 44.72 44.53 2ae6 s GLY 63 CO 0.81 3.63 0.55 -0.11 0.00 0.00 0.00 173.10 177.98 2ae6 s PHE 64 N -2.17 -0.47 -0.03 1.90 -0.12 0.75 -0.54 117.98 117.29 2ae6 s PHE 64 Ca 0.24 0.54 0.03 0.00 -0.05 0.00 0.00 56.93 57.69 2ae6 s PHE 64 Cb -0.00 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 2ae6 s PHE 64 CO 0.00 -0.66 -0.12 -1.50 -0.05 0.00 0.00 175.22 172.90 2ae6 s ILE 65 N -2.42 1.00 0.00 -4.49 2.07 0.05 -1.15 121.20 116.26 2ae6 s ILE 65 Ca -0.05 -0.47 0.08 0.00 -1.41 0.00 0.00 60.65 58.79 2ae6 s ILE 65 Cb -0.01 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 2ae6 s ILE 65 CO -0.01 0.30 -0.25 -0.70 -1.91 0.00 0.00 174.94 172.37 2ae6 s GLU 66 N 0.19 1.89 -0.01 3.50 -6.30 0.52 -1.15 118.70 117.35 2ae6 s GLU 66 Ca -0.04 -0.95 0.00 0.00 -2.50 0.00 0.00 54.97 51.48 2ae6 s GLU 66 Cb -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 34.13 32.13 2ae6 s GLU 66 CO 0.01 0.51 -0.01 0.14 0.02 0.00 0.00 175.26 175.93 2ae6 s VAL 67 N -0.66 0.12 0.05 3.70 -7.23 -0.94 -0.78 120.40 114.66 2ae6 s VAL 67 Ca 0.10 -0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.12 2ae6 s VAL 67 Cb -0.10 -0.13 0.02 0.00 0.56 0.00 0.00 36.38 36.73 2ae6 s VAL 67 CO 0.00 0.05 0.28 -1.38 -0.31 0.00 0.00 175.10 173.75 2ae6 s HIS 68 N 0.19 -0.06 0.67 2.82 -3.43 -1.03 -4.26 115.29 110.18 2ae6 s HIS 68 Ca -0.02 -0.13 -0.17 0.00 -0.80 0.00 0.00 55.06 53.95 2ae6 s HIS 68 Cb -0.03 0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 2ae6 s HIS 68 CO -0.01 -0.51 1.02 -2.30 -2.00 0.00 0.00 174.74 170.95 2ae6 n PRO 69 N 0.47 0.74 0.09 -0.38 -0.02 -1.25 0.17 135.00 134.83 2ae6 n PRO 69 Ca -0.18 0.31 -0.04 0.00 -2.02 0.00 0.00 63.50 61.57 2ae6 n PRO 69 Cb 0.60 -2.26 0.15 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.13 0.22 -4.85 0.52 0.13 -1.78 -3.43 132.00 122.95 2ae6 h PRO 70 Ca -0.48 -0.14 -0.38 0.00 -0.87 0.00 0.00 66.00 64.13 2ae6 h PRO 70 Cb 1.35 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 2ae6 h PRO 70 CO 0.49 0.72 -0.58 0.95 -0.23 0.00 0.00 178.00 179.35 2ae6 s THR 71 N -3.86 0.34 -1.50 1.56 -4.23 -1.26 -5.04 115.64 101.64 2ae6 s THR 71 Ca -0.04 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.69 2ae6 s THR 71 Cb 0.12 -2.54 0.41 0.00 1.34 0.00 0.00 72.50 71.83 2ae6 s THR 71 CO 0.79 0.00 1.70 -1.20 -0.54 0.00 0.00 174.62 175.36 2ae6 n SER 72 N -0.75 0.00 -4.73 3.99 7.64 -1.26 -4.78 113.62 113.72 2ae6 n SER 72 Ca 0.01 -0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.36 2ae6 n SER 72 Cb 0.65 -0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.50 4.36 0.26 -3.43 1.02 -1.26 -4.88 118.68 112.26 2ae6 s LEU 73 Ca 0.22 2.79 -0.01 0.00 0.02 0.00 0.00 54.13 57.16 2ae6 s LEU 73 Cb 0.15 -3.61 0.54 0.00 0.02 0.00 0.00 46.19 43.28 2ae6 s LEU 73 CO 0.32 -0.86 1.76 0.00 0.02 0.00 0.00 176.35 177.59 2ae6 h ALA 74 N 5.82 1.29 0.00 4.21 0.00 -2.02 -0.80 119.26 127.76 2ae6 h ALA 74 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ae6 h ALA 74 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ae6 h ALA 74 CO 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2ae6 n ALA 75 N -2.42 1.46 0.91 0.00 0.00 -1.26 -1.90 120.51 117.29 2ae6 n ALA 75 Ca 0.17 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.71 2ae6 n ALA 75 Cb 0.44 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.88 2ae6 n ALA 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ae6 n HIS 76 N -1.54 0.11 1.33 0.00 -0.00 -0.31 -4.56 115.22 110.25 2ae6 n HIS 76 Ca 0.02 -0.05 0.13 0.00 -0.00 0.00 0.00 57.72 57.82 2ae6 n HIS 76 Cb 0.12 0.00 0.70 0.00 -0.00 0.00 0.00 29.99 30.81 2ae6 n HIS 76 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2ae6 n GLN 77 N 1.26 0.43 -1.02 -0.41 1.13 -0.80 -2.21 117.38 115.78 2ae6 n GLN 77 Ca 0.16 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 55.20 2ae6 n GLN 77 Cb 0.58 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.76 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 -1.26 4.01 -4.44 -1.09 4.76 -1.26 -4.91 118.16 113.97 2ae6 n LYS 78 Ca 0.14 -3.11 -0.20 0.00 -2.87 0.00 0.00 58.31 52.27 2ae6 n LYS 78 Cb 0.21 -2.24 -0.15 0.00 -1.84 0.00 0.00 35.03 31.01 2ae6 n LYS 78 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2ae6 s GLN 79 N -2.95 0.89 -0.15 1.97 0.74 -0.94 -0.95 119.66 118.27 2ae6 s GLN 79 Ca 0.55 -0.36 -0.01 0.00 0.05 0.00 0.00 55.36 55.59 2ae6 s GLN 79 Cb 0.44 -0.85 -0.01 0.00 1.10 0.00 0.00 33.01 33.68 2ae6 s GLN 79 CO 0.14 0.20 -0.11 -1.58 -0.55 0.00 0.00 175.29 173.39 2ae6 s TRP 80 N -0.12 2.86 -0.11 1.67 0.51 -0.19 -3.79 118.94 119.76 2ae6 s TRP 80 Ca 0.02 -0.72 -0.30 0.00 -2.12 0.00 0.00 56.10 52.99 2ae6 s TRP 80 Cb -0.05 -1.91 -0.01 0.00 -0.81 0.00 0.00 33.47 30.68 2ae6 s TRP 80 CO -0.00 -0.29 1.01 -1.17 -0.51 0.00 0.00 176.95 175.99 2ae6 s LEU 81 N 0.62 4.24 0.08 2.99 0.20 0.13 -1.49 118.68 125.45 2ae6 s LEU 81 Ca -0.06 1.53 0.05 0.00 0.69 0.00 0.00 54.13 56.34 2ae6 s LEU 81 Cb -0.15 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.01 2ae6 s LEU 81 CO 0.03 -0.46 -0.03 -1.48 -0.29 0.00 0.00 176.35 174.12 2ae6 s LEU 82 N 2.06 3.33 -0.05 -0.68 0.05 -0.85 -2.48 118.68 120.05 2ae6 s LEU 82 Ca 0.48 -0.22 -0.00 0.00 0.05 0.00 0.00 54.13 54.44 2ae6 s LEU 82 Cb -0.18 -2.05 0.03 0.00 -2.05 0.00 0.00 46.19 41.93 2ae6 s LEU 82 CO 0.18 0.19 -0.01 -0.55 -0.55 0.00 0.00 176.35 175.61 2ae6 s SER 83 N -2.15 1.13 -0.10 1.48 0.15 0.04 -4.80 113.70 109.45 2ae6 s SER 83 Ca 0.23 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2ae6 s SER 83 Cb -0.11 -0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 63.78 2ae6 s SER 83 CO 0.16 -0.13 -0.14 -0.63 1.20 0.00 0.00 173.24 173.70 2ae6 s ILE 84 N 1.43 3.02 -0.03 6.45 1.01 -1.26 -0.35 121.20 131.47 2ae6 s ILE 84 Ca -0.03 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.97 2ae6 s ILE 84 Cb -0.13 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 2ae6 s ILE 84 CO -0.03 0.55 -0.16 -0.83 0.00 0.00 0.00 174.94 174.47 2ae6 s GLY 85 N -0.03 0.86 -0.02 6.18 0.00 -0.30 -5.01 107.32 108.99 2ae6 s GLY 85 Ca -0.03 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.06 2ae6 s GLY 85 CO 0.04 -0.41 -0.15 0.14 0.00 0.00 0.00 173.10 172.71 2ae6 s VAL 86 N -0.09 1.23 0.43 1.40 1.01 -1.26 -0.18 120.40 122.94 2ae6 s VAL 86 Ca -0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 2ae6 s VAL 86 Cb -0.10 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.16 2ae6 s VAL 86 CO 0.01 0.35 1.31 -0.55 0.00 0.00 0.00 175.10 176.22 2ae6 s SER 87 N -0.18 6.15 0.34 3.32 0.15 0.38 -4.94 113.70 118.91 2ae6 s SER 87 Ca 0.02 2.66 0.05 0.00 0.70 0.00 0.00 55.95 59.38 2ae6 s SER 87 Cb -0.08 -2.64 0.68 0.00 -1.71 0.00 0.00 66.02 62.28 2ae6 s SER 87 CO 0.00 -0.96 1.92 -0.65 1.20 0.00 0.00 173.24 174.75 2ae6 h PRO 88 N 2.46 0.82 -0.23 5.44 0.11 -1.97 -2.43 132.00 136.21 2ae6 h PRO 88 Ca -0.50 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 2ae6 h PRO 88 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2ae6 h PRO 88 CO 0.62 0.54 -0.28 -0.44 -0.21 0.00 0.00 178.00 178.23 2ae6 h ASP 89 N 0.84 0.45 -0.90 -2.05 3.32 -1.95 -3.31 116.42 112.82 2ae6 h ASP 89 Ca 0.38 -0.16 -0.58 0.00 0.02 0.00 0.00 57.03 56.69 2ae6 h ASP 89 Cb 0.36 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 39.49 2ae6 h ASP 89 CO -0.15 0.71 0.49 0.49 -1.72 0.00 0.00 179.24 179.07 2ae6 n PHE 90 N -4.11 2.92 -1.24 4.55 3.01 -0.92 -5.00 117.46 116.67 2ae6 n PHE 90 Ca -0.01 -2.54 -0.29 0.00 1.01 0.00 0.00 57.45 55.63 2ae6 n PHE 90 Cb 0.42 -1.10 0.15 0.00 -0.01 0.00 0.00 39.48 38.94 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 -3.63 0.94 0.00 -1.08 -1.52 -1.19 -3.89 119.66 109.29 2ae6 s GLN 91 Ca 0.59 0.63 0.00 0.00 -1.95 0.00 0.00 55.36 54.63 2ae6 s GLN 91 Cb 0.48 -1.79 0.00 0.00 -0.22 0.00 0.00 33.01 31.48 2ae6 s GLN 91 CO 0.02 -2.41 0.00 -0.25 -0.25 0.00 0.00 175.29 172.40 2ae6 n ASP 92 N -3.97 -2.95 -0.88 5.90 10.43 -1.26 -4.75 116.55 119.06 2ae6 n ASP 92 Ca 0.06 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.50 2ae6 n ASP 92 Cb 0.56 -2.18 0.22 0.00 1.84 0.00 0.00 41.12 41.56 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 0.32 2.11 -1.71 -1.24 6.02 -1.25 -4.92 117.38 116.72 2ae6 n GLN 93 Ca 0.00 -1.73 -0.15 0.00 -0.01 0.00 0.00 57.00 55.11 2ae6 n GLN 93 Cb 0.25 -1.38 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 2ae6 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ae6 n GLY 94 N 1.27 1.01 0.18 1.08 0.00 -1.26 -4.91 105.19 102.56 2ae6 n GLY 94 Ca 0.16 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 1.19 -0.17 -0.61 1.08 -1.91 -2.56 117.51 114.53 2ae6 h ILE 95 Ca -0.33 -0.58 0.05 0.00 -0.39 0.00 0.00 64.86 63.61 2ae6 h ILE 95 Cb 1.09 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 2ae6 h ILE 95 CO 0.45 0.21 -0.27 1.23 -0.69 0.00 0.00 178.15 179.08 2ae6 h GLY 96 N 0.45 -0.29 1.93 5.37 0.00 -1.93 -2.23 103.07 106.36 2ae6 h GLY 96 Ca 0.12 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 2ae6 h GLY 96 CO -0.01 -0.21 -0.08 -1.33 0.00 0.00 0.00 176.54 174.91 2ae6 h GLY 97 N -0.32 0.10 1.28 4.60 0.00 -1.94 -2.36 103.07 104.43 2ae6 h GLY 97 Ca 0.11 -0.05 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 2ae6 h GLY 97 CO -0.35 0.05 -0.96 1.76 0.00 0.00 0.00 176.54 177.04 2ae6 h SER 98 N 0.09 0.84 -0.05 0.19 0.02 -1.03 -1.21 113.55 112.40 2ae6 h SER 98 Ca 0.02 -0.64 -0.00 0.00 -0.84 0.00 0.00 61.79 60.33 2ae6 h SER 98 Cb 0.21 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2ae6 h SER 98 CO 0.01 1.44 0.03 -0.07 -1.14 0.00 0.00 176.83 177.10 2ae6 h LEU 99 N 0.40 0.06 0.44 5.07 4.07 -1.17 -0.48 115.31 123.70 2ae6 h LEU 99 Ca -0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 2ae6 h LEU 99 Cb 1.60 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.31 2ae6 h LEU 99 CO 0.19 0.09 -0.30 -0.07 -1.08 0.00 0.00 178.44 177.26 2ae6 h LEU 100 N 0.03 -0.77 -1.08 1.67 3.38 -1.45 -0.42 115.31 116.68 2ae6 h LEU 100 Ca 0.02 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.19 2ae6 h LEU 100 Cb 0.04 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2ae6 h LEU 100 CO -0.00 -0.46 0.62 -1.28 0.09 0.00 0.00 178.44 177.40 2ae6 h SER 101 N -0.72 0.82 -0.59 -0.43 0.87 -1.22 0.14 113.55 112.42 2ae6 h SER 101 Ca -0.05 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2ae6 h SER 101 Cb 0.61 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2ae6 h SER 101 CO 0.03 0.39 0.13 0.22 -0.53 0.00 0.00 176.83 177.07 2ae6 h TYR 102 N 0.86 1.01 0.00 2.24 3.20 -0.75 -2.82 116.97 120.71 2ae6 h TYR 102 Ca 0.51 -0.13 -0.16 0.00 3.14 0.00 0.00 58.73 62.09 2ae6 h TYR 102 Cb 0.67 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2ae6 h TYR 102 CO -0.00 0.87 -0.76 0.97 -1.64 0.00 0.00 178.16 177.59 2ae6 h ILE 103 N 0.87 1.52 -0.44 1.81 6.09 0.66 -2.97 117.51 125.06 2ae6 h ILE 103 Ca 0.18 -2.62 0.00 0.00 -1.37 0.00 0.00 64.86 61.06 2ae6 h ILE 103 Cb 0.38 2.42 -0.02 0.00 0.47 0.00 0.00 36.82 40.07 2ae6 h ILE 103 CO 0.01 0.74 0.29 0.11 -3.07 0.00 0.00 178.15 176.23 2ae6 h LYS 104 N 0.00 0.58 -1.11 2.19 1.57 -0.76 0.13 116.57 119.17 2ae6 h LYS 104 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ae6 h LYS 104 Cb 1.36 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2ae6 h LYS 104 CO 0.10 0.38 0.00 -0.25 -0.57 0.00 0.00 179.45 179.11 2ae6 n ASP 105 N -4.78 0.72 0.00 0.86 10.43 -1.07 -2.52 116.55 120.19 2ae6 n ASP 105 Ca 0.01 -0.67 0.00 0.00 2.57 0.00 0.00 54.79 56.71 2ae6 n ASP 105 Cb 0.02 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 42.82 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 0.62 0.00 -0.33 2.24 0.00 0.46 -3.31 120.51 120.19 2ae6 n ALA 107 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 2ae6 n ALA 107 Cb 0.13 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.05 2ae6 n ALA 107 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ae6 h GLU 108 N 0.00 0.45 0.00 0.00 5.08 -1.68 0.15 114.58 118.58 2ae6 h GLU 108 Ca 0.00 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2ae6 h GLU 108 Cb 0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2ae6 h GLU 108 CO 0.00 0.30 -1.95 0.44 -1.00 0.00 0.00 179.01 176.80 2ae6 n ILE 109 N -4.73 1.09 0.87 3.13 -6.64 -1.21 -3.85 119.36 108.03 2ae6 n ILE 109 Ca 0.26 -0.73 0.10 0.00 -1.77 0.00 0.00 62.75 60.61 2ae6 n ILE 109 Cb 0.84 -0.52 0.49 0.00 -1.44 0.00 0.00 39.64 39.01 2ae6 n ILE 109 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2ae6 n SER 110 N -2.73 0.00 -0.08 7.28 7.64 -0.99 -4.89 113.62 119.85 2ae6 n SER 110 Ca -0.19 0.18 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2ae6 n SER 110 Cb 0.94 -0.37 -0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.53 0.46 3.71 0.23 0.00 -0.60 -5.03 105.19 104.48 2ae6 n GLY 111 Ca 0.08 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.04 4.92 -0.15 -0.61 -1.09 0.42 -4.84 121.20 117.82 2ae6 s ILE 112 Ca 0.00 1.88 0.13 0.00 -2.23 0.00 0.00 60.65 60.43 2ae6 s ILE 112 Cb 0.00 -4.24 -0.24 0.00 -1.58 0.00 0.00 42.46 36.41 2ae6 s ILE 112 CO 0.00 0.18 0.27 1.57 -1.23 0.00 0.00 174.94 175.73 2ae6 n HIS 113 N 3.92 0.42 -3.82 3.97 -0.00 -0.13 -4.31 115.22 115.27 2ae6 n HIS 113 Ca 0.04 0.14 -0.13 0.00 -0.00 0.00 0.00 57.72 57.77 2ae6 n HIS 113 Cb 0.51 -1.07 -0.14 0.00 -0.00 0.00 0.00 29.99 29.29 2ae6 n HIS 113 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2ae6 s LYS 114 N -2.53 0.08 -0.03 1.57 2.20 -1.08 -1.77 119.74 118.17 2ae6 s LYS 114 Ca -0.11 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.69 2ae6 s LYS 114 Cb 0.07 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 2ae6 s LYS 114 CO 0.81 -0.05 -0.10 -0.51 -0.36 0.00 0.00 175.35 175.13 2ae6 s LEU 115 N 0.34 2.97 0.11 5.43 1.02 -0.08 -1.02 118.68 127.45 2ae6 s LEU 115 Ca -0.02 -0.15 -0.10 0.00 0.02 0.00 0.00 54.13 53.87 2ae6 s LEU 115 Cb -0.04 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.52 2ae6 s LEU 115 CO -0.01 0.33 0.26 -0.94 0.02 0.00 0.00 176.35 176.01 2ae6 s SER 116 N -0.99 0.02 0.15 2.29 1.04 -0.55 -0.61 113.70 115.04 2ae6 s SER 116 Ca 0.13 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.70 2ae6 s SER 116 Cb -0.11 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.47 2ae6 s SER 116 CO 0.03 -0.79 0.81 -1.48 0.98 0.00 0.00 173.24 172.79 2ae6 s LEU 117 N -2.87 -0.32 -0.05 2.42 2.34 -0.52 -2.00 118.68 117.68 2ae6 s LEU 117 Ca 0.07 -0.28 -0.01 0.00 0.06 0.00 0.00 54.13 53.97 2ae6 s LEU 117 Cb 0.04 2.36 -0.03 0.00 -0.56 0.00 0.00 46.19 47.99 2ae6 s LEU 117 CO -0.09 -0.96 0.02 -0.13 -1.06 0.00 0.00 176.35 174.13 2ae6 s ARG 118 N -3.50 2.96 0.00 1.48 0.52 -1.26 -0.59 118.95 118.57 2ae6 s ARG 118 Ca 0.08 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 2ae6 s ARG 118 Cb -0.02 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.66 2ae6 s ARG 118 CO -0.02 0.68 0.00 1.33 0.02 0.00 0.00 175.30 177.31 2ae6 n VAL 119 N 1.81 0.00 -0.08 3.52 0.24 -0.18 -4.95 118.33 118.68 2ae6 n VAL 119 Ca -0.17 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.07 2ae6 n VAL 119 Cb 0.53 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.75 2ae6 n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ae6 n ALA 121 N -3.00 1.74 0.75 2.33 0.00 -0.72 -0.39 120.51 121.22 2ae6 n ALA 121 Ca 0.00 -1.11 0.13 0.00 0.00 0.00 0.00 53.44 52.45 2ae6 n ALA 121 Cb 0.00 -0.24 0.34 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.61 0.30 -2.05 0.00 -2.24 -1.26 -4.44 114.28 101.97 2ae6 n THR 122 Ca -0.26 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2ae6 n THR 122 Cb 1.01 -0.27 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 -1.93 5.14 -0.26 3.42 2.85 -1.26 -4.75 115.26 118.47 2ae6 n ASN 123 Ca 0.05 -3.00 0.12 0.00 -0.11 0.00 0.00 54.58 51.64 2ae6 n ASN 123 Cb 0.40 -1.53 0.38 0.00 1.24 0.00 0.00 39.78 40.27 2ae6 n ASN 123 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2ae6 h GLN 124 N 5.68 0.67 -0.00 1.20 1.08 -2.00 -2.17 115.11 119.57 2ae6 h GLN 124 Ca 0.50 -0.04 -0.18 0.00 -1.45 0.00 0.00 58.65 57.48 2ae6 h GLN 124 Cb 0.58 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2ae6 h GLN 124 CO 1.71 0.44 -0.83 1.05 -0.95 0.00 0.00 178.83 180.26 2ae6 h GLU 125 N 0.69 0.12 -0.46 1.46 4.11 -1.98 -1.23 114.58 117.30 2ae6 h GLU 125 Ca 0.44 -0.13 -0.12 0.00 0.07 0.00 0.00 59.36 59.62 2ae6 h GLU 125 Cb 0.69 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2ae6 h GLU 125 CO -0.19 0.88 -0.18 0.00 0.07 0.00 0.00 179.01 179.59 2ae6 h ALA 126 N 1.08 0.64 -0.50 1.06 0.00 -1.83 -2.25 119.26 117.45 2ae6 h ALA 126 Ca -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2ae6 h ALA 126 Cb 1.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2ae6 h ALA 126 CO 0.12 0.59 0.28 0.82 0.00 0.00 0.00 179.25 181.06 2ae6 h ILE 127 N 0.77 1.17 -0.55 0.00 2.04 -1.23 -1.60 117.51 118.11 2ae6 h ILE 127 Ca 0.11 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2ae6 h ILE 127 Cb 0.74 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2ae6 h ILE 127 CO 0.06 0.18 0.30 0.03 0.00 0.00 0.00 178.15 178.72 2ae6 h ARG 128 N 0.67 0.78 0.06 2.37 -0.00 -1.25 -0.99 114.38 116.02 2ae6 h ARG 128 Ca 0.18 -0.10 0.02 0.00 -0.50 0.00 0.00 59.98 59.58 2ae6 h ARG 128 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 29.83 2ae6 h ARG 128 CO -0.03 0.61 -0.21 0.35 0.00 0.00 0.00 179.97 180.69 2ae6 h PHE 129 N 0.75 -0.55 -0.43 3.04 3.57 -1.02 0.60 116.94 122.90 2ae6 h PHE 129 Ca 0.19 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 2ae6 h PHE 129 Cb 0.06 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2ae6 h PHE 129 CO -0.01 -0.30 -0.19 1.88 -2.23 0.00 0.00 178.31 177.46 2ae6 h TYR 130 N -0.37 0.96 -0.61 0.41 -1.99 -1.19 -2.57 116.97 111.61 2ae6 h TYR 130 Ca 0.04 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.55 2ae6 h TYR 130 Cb 0.41 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 2ae6 h TYR 130 CO -0.22 0.96 0.36 0.93 -0.00 0.00 0.00 178.16 180.19 2ae6 h GLU 131 N 0.74 0.83 -0.94 4.88 5.08 -1.04 -1.29 114.58 122.83 2ae6 h GLU 131 Ca 0.11 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2ae6 h GLU 131 Cb 0.72 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2ae6 h GLU 131 CO 0.05 0.60 0.62 -0.22 -1.00 0.00 0.00 179.01 179.06 2ae6 h LYS 132 N 0.82 1.09 -0.88 2.33 3.64 -0.71 -2.79 116.57 120.07 2ae6 h LYS 132 Ca 0.22 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 2ae6 h LYS 132 Cb -0.01 -0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 31.45 2ae6 h LYS 132 CO -0.04 0.72 0.25 0.72 -2.27 0.00 0.00 179.45 178.83 2ae6 n HIS 133 N -4.48 1.79 -0.54 1.91 8.25 -0.98 -4.92 115.22 116.25 2ae6 n HIS 133 Ca 0.14 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.59 2ae6 n HIS 133 Cb 0.16 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.70 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 -0.16 0.75 3.77 -1.41 0.00 -1.05 -5.03 105.19 102.06 2ae6 n GLY 134 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.63 3.60 0.17 1.61 0.40 -0.52 -4.77 117.98 115.84 2ae6 s PHE 135 Ca 0.00 1.75 0.10 0.00 -0.60 0.00 0.00 56.93 58.18 2ae6 s PHE 135 Cb 0.00 -3.11 -0.04 0.00 0.51 0.00 0.00 43.02 40.38 2ae6 s PHE 135 CO 0.00 -0.22 -0.19 0.14 0.70 0.00 0.00 175.22 175.65 2ae6 s VAL 136 N -1.39 2.65 0.04 -0.44 -7.23 -0.20 -4.29 120.40 109.54 2ae6 s VAL 136 Ca 0.49 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 2ae6 s VAL 136 Cb -0.25 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 2ae6 s VAL 136 CO 0.32 -0.07 1.12 -1.58 -0.31 0.00 0.00 175.10 174.58 2ae6 s GLN 137 N -2.60 4.48 -0.04 4.82 0.74 -1.26 -0.74 119.66 125.06 2ae6 s GLN 137 Ca 0.21 1.64 0.06 0.00 0.05 0.00 0.00 55.36 57.32 2ae6 s GLN 137 Cb -0.09 -3.39 -0.09 0.00 1.10 0.00 0.00 33.01 30.55 2ae6 s GLN 137 CO 0.11 -0.18 0.08 0.39 -0.55 0.00 0.00 175.29 175.14 2ae6 n GLU 138 N 3.90 1.66 -3.89 1.67 1.02 0.27 -4.94 120.64 120.33 2ae6 n GLU 138 Ca 0.08 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 2ae6 n GLU 138 Cb 0.48 -1.16 -0.12 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 -2.30 -0.14 -0.36 0.62 0.00 -1.15 -4.94 121.76 113.49 2ae6 s ALA 139 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2ae6 s ALA 139 Cb 0.03 0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.28 2ae6 s ALA 139 CO 0.26 -0.12 0.13 -1.58 0.00 0.00 0.00 175.76 174.45 2ae6 s HIS 140 N -0.80 2.25 -0.43 0.00 2.46 -1.26 -1.72 115.29 115.79 2ae6 s HIS 140 Ca -0.09 -2.22 -0.24 0.00 0.47 0.00 0.00 55.06 52.98 2ae6 s HIS 140 Cb -0.05 -2.05 0.02 0.00 -0.13 0.00 0.00 32.58 30.37 2ae6 s HIS 140 CO 0.00 -0.86 0.83 -0.06 -2.47 0.00 0.00 174.74 172.18 2ae6 s PHE 141 N 1.08 3.01 0.15 3.88 0.40 0.17 -4.95 117.98 121.72 2ae6 s PHE 141 Ca 0.12 0.34 -0.19 0.00 -0.60 0.00 0.00 56.93 56.60 2ae6 s PHE 141 Cb -0.20 -3.68 -0.07 0.00 0.51 0.00 0.00 43.02 39.58 2ae6 s PHE 141 CO -0.14 -0.95 0.64 0.15 0.70 0.00 0.00 175.22 175.62 2ae6 s LYS 142 N 3.37 4.22 -1.35 0.44 1.02 -1.26 -1.02 119.74 125.17 2ae6 s LYS 142 Ca 0.32 0.78 -0.07 0.00 0.02 0.00 0.00 55.97 57.03 2ae6 s LYS 142 Cb -0.12 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 2ae6 s LYS 142 CO 0.22 0.51 0.48 0.39 -0.92 0.00 0.00 175.35 176.04 2ae6 n GLU 143 N 1.16 -2.50 -0.06 1.68 1.02 -1.26 -4.89 120.64 115.79 2ae6 n GLU 143 Ca -0.06 0.37 -0.21 0.00 -0.02 0.00 0.00 57.16 57.24 2ae6 n GLU 143 Cb 0.51 -4.24 -0.13 0.00 -0.02 0.00 0.00 31.44 27.56 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 -4.41 0.69 -4.12 3.49 4.07 -0.18 -4.73 120.64 115.45 2ae6 n GLU 144 Ca -0.26 0.25 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 2ae6 n GLU 144 Cb 0.66 -1.63 -0.14 0.00 -0.06 0.00 0.00 31.44 30.26 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 -2.52 2.89 -0.37 4.31 0.40 -0.65 -4.92 117.98 117.12 2ae6 s PHE 145 Ca -0.28 -1.02 -0.28 0.00 -0.60 0.00 0.00 56.93 54.75 2ae6 s PHE 145 Cb 0.08 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.61 2ae6 s PHE 145 CO 0.68 -0.54 1.03 -0.47 0.70 0.00 0.00 175.22 176.62 2ae6 s TYR 146 N 1.22 3.06 -0.21 0.36 5.04 -1.26 -0.48 117.35 125.09 2ae6 s TYR 146 Ca 0.02 0.95 0.01 0.00 -2.44 0.00 0.00 57.07 55.61 2ae6 s TYR 146 Cb -0.14 -3.81 0.05 0.00 0.35 0.00 0.00 41.96 38.41 2ae6 s TYR 146 CO -0.04 -0.88 -0.07 0.42 -1.34 0.00 0.00 175.55 173.65 2ae6 s ILE 147 N 3.73 1.48 -1.15 3.14 -1.09 0.12 -4.87 121.20 122.56 2ae6 s ILE 147 Ca 0.43 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.67 2ae6 s ILE 147 Cb -0.11 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.12 2ae6 s ILE 147 CO 0.19 0.04 0.29 -3.20 -1.23 0.00 0.00 174.94 171.03 2ae6 n ASN 148 N 4.72 -1.33 0.00 3.58 4.05 -1.26 -1.01 115.26 124.01 2ae6 n ASN 148 Ca -0.13 -1.08 0.00 0.00 0.45 0.00 0.00 54.58 53.82 2ae6 n ASN 148 Cb 0.46 -1.31 0.00 0.00 1.23 0.00 0.00 39.78 40.15 2ae6 n ASN 148 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ae6 n GLY 149 N -2.11 1.30 3.22 8.20 0.00 -1.26 -5.04 105.19 109.51 2ae6 n GLY 149 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.53 1.49 -0.12 1.61 -3.43 -0.18 -5.15 115.29 106.99 2ae6 s HIS 150 Ca 0.00 -0.44 -0.06 0.00 -0.80 0.00 0.00 55.06 53.76 2ae6 s HIS 150 Cb 0.00 -0.83 -0.04 0.00 -1.43 0.00 0.00 32.58 30.29 2ae6 s HIS 150 CO 0.00 0.12 0.10 0.71 -2.00 0.00 0.00 174.74 173.68 2ae6 s TYR 151 N -1.20 3.48 -0.02 0.38 1.51 -1.26 0.13 117.35 120.37 2ae6 s TYR 151 Ca 0.02 0.43 0.06 0.00 -1.01 0.00 0.00 57.07 56.57 2ae6 s TYR 151 Cb -0.10 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2ae6 s TYR 151 CO 0.03 0.65 -0.20 0.00 -1.11 0.00 0.00 175.55 174.92 2ae6 s ASP 153 N -0.42 6.55 0.07 0.00 1.11 -1.26 -1.01 116.67 121.70 2ae6 s ASP 153 Ca 0.06 1.61 0.02 0.00 0.18 0.00 0.00 52.55 54.43 2ae6 s ASP 153 Cb -0.08 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2ae6 s ASP 153 CO -0.00 -0.64 -0.08 -0.62 1.18 0.00 0.00 175.17 175.01 2ae6 s ASP 154 N -2.96 1.05 0.18 0.27 2.15 -0.19 -1.75 116.67 115.42 2ae6 s ASP 154 Ca 0.60 -0.73 0.11 0.00 0.43 0.00 0.00 52.55 52.95 2ae6 s ASP 154 Cb -0.11 0.05 -0.04 0.00 -0.30 0.00 0.00 42.92 42.52 2ae6 s ASP 154 CO 0.30 -0.29 -0.23 -0.31 -0.17 0.00 0.00 175.17 174.47 2ae6 s TYR 155 N -2.23 2.22 -0.11 -5.34 1.51 0.48 -0.66 117.35 113.22 2ae6 s TYR 155 Ca -0.01 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2ae6 s TYR 155 Cb -0.04 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2ae6 s TYR 155 CO -0.01 0.45 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.64 2ae6 s GLN 156 N -2.59 3.14 0.01 -0.62 0.74 -0.70 -1.01 119.66 118.62 2ae6 s GLN 156 Ca 0.19 -0.61 0.06 0.00 0.05 0.00 0.00 55.36 55.05 2ae6 s GLN 156 Cb -0.08 -2.65 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 2ae6 s GLN 156 CO 0.09 0.42 -0.18 0.71 -0.55 0.00 0.00 175.29 175.78 2ae6 s TYR 157 N -0.15 2.58 0.03 1.67 1.51 0.24 -0.56 117.35 122.67 2ae6 s TYR 157 Ca 0.01 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.86 2ae6 s TYR 157 Cb -0.13 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2ae6 s TYR 157 CO 0.03 0.21 -0.11 0.00 -1.11 0.00 0.00 175.55 174.57 2ae6 s ALA 158 N -0.85 0.92 -0.08 3.71 0.00 0.08 -1.43 121.76 124.10 2ae6 s ALA 158 Ca 0.14 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2ae6 s ALA 158 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 2ae6 s ALA 158 CO 0.04 0.15 -0.24 -0.47 0.00 0.00 0.00 175.76 175.23 2ae6 s TYR 159 N -0.86 2.49 -0.39 0.00 5.04 0.22 -1.03 117.35 122.82 2ae6 s TYR 159 Ca -0.01 -0.92 -0.13 0.00 -2.44 0.00 0.00 57.07 53.56 2ae6 s TYR 159 Cb -0.07 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.60 2ae6 s TYR 159 CO 0.01 -0.34 0.26 -0.06 -1.34 0.00 0.00 175.55 174.08 2ae6 s PHE 160 N 0.16 3.24 -1.43 4.97 0.40 -1.26 -0.90 117.98 123.15 2ae6 s PHE 160 Ca -0.13 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 2ae6 s PHE 160 Cb -0.16 -2.53 0.00 0.00 0.51 0.00 0.00 43.02 40.84 2ae6 s PHE 160 CO 0.07 -0.59 0.36 -0.89 0.70 0.00 0.00 175.22 174.87