#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hna s ALA 2 N 0.00 -0.52 -0.12 -5.12 0.00 -1.26 -4.54 121.76 110.20 2hna s ALA 2 Ca 0.00 -0.40 0.20 0.00 0.00 0.00 0.00 51.96 51.76 2hna s ALA 2 Cb 0.00 0.64 -0.24 0.00 0.00 0.00 0.00 23.12 23.53 2hna s ALA 2 CO 0.00 -0.60 0.50 -3.47 0.00 0.00 0.00 175.76 172.19 2hna n ASP 3 N -0.17 0.27 -3.85 0.00 2.03 0.69 -4.91 116.55 110.62 2hna n ASP 3 Ca -0.14 0.11 -0.20 0.00 0.52 0.00 0.00 54.79 55.08 2hna n ASP 3 Cb 0.63 1.18 -0.17 0.00 -0.72 0.00 0.00 41.12 42.05 2hna n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hna s ILE 4 N -3.10 0.44 -0.14 5.18 1.01 -0.99 -3.24 121.20 120.36 2hna s ILE 4 Ca -0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 2hna s ILE 4 Cb 0.10 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 2hna s ILE 4 CO 0.86 0.22 0.65 0.28 0.00 0.00 0.00 174.94 176.95 2hna s THR 5 N 1.19 5.04 -0.62 2.92 -1.32 -1.11 -1.35 115.64 120.38 2hna s THR 5 Ca -0.07 1.28 -0.12 0.00 -1.21 0.00 0.00 61.69 61.58 2hna s THR 5 Cb -0.14 -3.98 0.16 0.00 -1.51 0.00 0.00 72.50 67.03 2hna s THR 5 CO -0.02 0.18 0.53 -0.76 -2.21 0.00 0.00 174.62 172.35 2hna s LEU 6 N 1.37 6.10 -0.71 9.08 2.01 -0.12 -1.45 118.68 134.95 2hna s LEU 6 Ca 0.32 -2.26 -0.17 0.00 0.01 0.00 0.00 54.13 52.03 2hna s LEU 6 Cb -0.16 -2.10 0.14 0.00 0.01 0.00 0.00 46.19 44.08 2hna s LEU 6 CO 0.13 -0.65 0.78 -0.63 1.01 0.00 0.00 176.35 176.98 2hna s ILE 7 N 0.85 5.06 0.66 -0.59 1.01 0.23 -1.30 121.20 127.13 2hna s ILE 7 Ca 0.10 -1.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.08 2hna s ILE 7 Cb -0.21 -4.52 -0.01 0.00 0.01 0.00 0.00 42.46 37.72 2hna s ILE 7 CO -0.03 -1.14 1.05 -0.44 0.00 0.00 0.00 174.94 174.38 2hna s SER 8 N 3.23 5.67 0.00 3.58 0.01 -0.31 -1.91 113.70 123.96 2hna s SER 8 Ca 0.16 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2hna s SER 8 Cb -0.17 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2hna s SER 8 CO -0.01 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 173.00 2hna n GLY 9 N -2.09 0.22 3.68 3.44 0.00 -0.85 -2.49 105.19 107.10 2hna n GLY 9 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 2hna n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hna n SER 10 N 0.00 3.79 -4.09 1.61 3.41 -1.05 -3.43 113.62 113.87 2hna n SER 10 Ca 0.00 0.98 -0.40 0.00 -0.26 0.00 0.00 58.87 59.19 2hna n SER 10 Cb 0.11 -1.48 -0.01 0.00 -0.26 0.00 0.00 64.21 62.56 2hna n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2hna n THR 11 N 4.77 -2.01 -3.55 6.66 -2.24 -0.21 -2.40 114.28 115.31 2hna n THR 11 Ca 0.19 -0.52 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 2hna n THR 11 Cb 0.35 -1.74 0.03 0.00 -2.10 0.00 0.00 70.33 66.87 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2hna n LEU 12 N -4.63 -3.67 0.00 3.22 7.94 -1.22 -4.85 117.00 113.80 2hna n LEU 12 Ca -0.15 -0.82 0.00 0.00 -1.11 0.00 0.00 56.01 53.93 2hna n LEU 12 Cb 0.54 -2.52 0.00 0.00 0.53 0.00 0.00 43.42 41.97 2hna n LEU 12 CO 0.70 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.74 2hna n GLY 13 N -1.65 -0.56 0.00 -3.96 0.00 -1.01 -5.10 105.19 92.92 2hna n GLY 13 Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2hna n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hna n GLY 14 N 0.00 -2.52 2.34 -0.02 0.00 -1.23 -2.02 105.19 101.75 2hna n GLY 14 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 2hna n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 15 N 0.00 5.61 0.24 4.61 0.00 -1.26 -4.72 120.51 125.00 2hna n ALA 15 Ca 0.00 -2.17 0.11 0.00 0.00 0.00 0.00 53.44 51.38 2hna n ALA 15 Cb 0.00 -2.83 0.71 0.00 0.00 0.00 0.00 19.45 17.32 2hna n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hna h GLU 16 N 4.97 0.00 -0.80 0.00 5.08 -1.93 0.53 114.58 122.44 2hna h GLU 16 Ca 0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2hna h GLU 16 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2hna h GLU 16 CO 1.10 0.00 0.40 -0.92 -1.00 0.00 0.00 179.01 178.59 2hna h TYR 17 N 0.00 1.13 -0.13 4.33 3.20 -1.99 0.10 116.97 123.61 2hna h TYR 17 Ca 0.02 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.65 2hna h TYR 17 Cb 0.10 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2hna h TYR 17 CO 0.00 0.81 -0.73 0.28 -1.64 0.00 0.00 178.16 176.88 2hna h VAL 18 N 1.12 1.32 -0.97 1.81 2.07 -1.36 -1.23 116.25 119.01 2hna h VAL 18 Ca 0.28 -2.01 0.01 0.00 0.82 0.00 0.00 66.70 65.79 2hna h VAL 18 Cb 0.09 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 2hna h VAL 18 CO -0.04 0.62 0.63 0.00 0.02 0.00 0.00 177.57 178.80 2hna h ALA 19 N 0.74 1.28 -0.49 1.67 0.00 -0.82 0.78 119.26 122.42 2hna h ALA 19 Ca -0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2hna h ALA 19 Cb 1.33 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2hna h ALA 19 CO 0.14 0.65 -0.22 1.49 0.00 0.00 0.00 179.25 181.32 2hna h GLU 20 N 1.32 1.00 -0.31 0.00 4.81 -0.64 -0.31 114.58 120.45 2hna h GLU 20 Ca 0.35 -0.43 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2hna h GLU 20 Cb -0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2hna h GLU 20 CO -0.07 1.11 0.13 1.25 -0.73 0.00 0.00 179.01 180.69 2hna h HIS 21 N 0.86 0.46 0.02 0.92 2.76 -0.76 -0.27 115.15 119.15 2hna h HIS 21 Ca 0.11 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2hna h HIS 21 Cb 0.80 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 2hna h HIS 21 CO 0.05 0.44 -0.17 -0.07 -1.30 0.00 0.00 177.93 176.88 2hna h LEU 22 N 0.35 -0.50 -0.45 0.26 3.38 -0.78 -1.75 115.31 115.82 2hna h LEU 22 Ca 0.10 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2hna h LEU 22 Cb 0.17 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2hna h LEU 22 CO -0.01 -0.24 -0.11 0.00 0.09 0.00 0.00 178.44 178.17 2hna h ALA 23 N 0.61 0.30 0.07 1.53 0.00 -0.92 -0.07 119.26 120.78 2hna h ALA 23 Ca 0.05 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2hna h ALA 23 Cb 0.36 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2hna h ALA 23 CO -0.15 -0.45 -0.24 1.49 0.00 0.00 0.00 179.25 179.90 2hna h GLU 24 N 0.00 -0.40 -0.91 0.00 4.81 -0.53 0.00 114.58 117.56 2hna h GLU 24 Ca 0.21 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2hna h GLU 24 Cb 0.33 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2hna h GLU 24 CO -0.46 -0.26 0.56 0.87 -0.73 0.00 0.00 179.01 178.99 2hna h LYS 25 N -0.41 1.23 -0.22 1.92 1.79 -1.02 -0.82 116.57 119.04 2hna h LYS 25 Ca 0.04 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2hna h LYS 25 Cb 0.46 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2hna h LYS 25 CO -0.17 0.84 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.76 2hna h LEU 26 N 1.25 0.39 -0.35 2.94 3.38 -0.46 0.06 115.31 122.52 2hna h LEU 26 Ca 0.33 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 2hna h LEU 26 Cb -0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2hna h LEU 26 CO -0.06 0.62 -0.69 -0.33 0.09 0.00 0.00 178.44 178.07 2hna h GLU 27 N 0.36 0.60 -0.01 1.13 5.08 -0.36 -2.57 114.58 118.79 2hna h GLU 27 Ca 0.06 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2hna h GLU 27 Cb 0.59 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2hna h GLU 27 CO 0.04 1.07 -0.09 0.93 -1.00 0.00 0.00 179.01 179.96 2hna h GLU 28 N 0.42 0.02 0.00 2.33 4.39 -0.89 -1.68 114.58 119.17 2hna h GLU 28 Ca -0.02 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2hna h GLU 28 Cb 1.27 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2hna h GLU 28 CO 0.13 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 2hna h ALA 29 N 1.89 1.00 0.00 3.43 0.00 -0.60 -3.46 119.26 121.52 2hna h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hna h ALA 29 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2hna h ALA 29 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2hna n GLY 30 N 0.18 0.32 0.00 0.00 0.00 -0.63 -5.08 105.19 99.97 2hna n GLY 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2hna n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hna n PHE 31 N 0.00 -2.32 -4.23 1.61 3.72 -1.06 -5.01 117.46 110.18 2hna n PHE 31 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 2hna n PHE 31 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 2hna n PHE 31 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2hna s THR 32 N 1.06 1.38 0.04 4.37 -4.23 -1.26 -4.31 115.64 112.68 2hna s THR 32 Ca 0.00 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2hna s THR 32 Cb 0.00 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.49 2hna s THR 32 CO 0.00 -0.20 0.07 0.42 -0.54 0.00 0.00 174.62 174.37 2hna s THR 33 N -1.40 0.14 -0.35 3.99 -4.23 -1.26 -0.22 115.64 112.30 2hna s THR 33 Ca 0.03 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2hna s THR 33 Cb -0.09 -0.86 0.10 0.00 1.34 0.00 0.00 72.50 72.99 2hna s THR 33 CO 0.03 -0.62 0.07 -0.70 -0.54 0.00 0.00 174.62 172.86 2hna s GLU 34 N -2.56 1.53 -0.09 3.99 2.56 -0.46 -4.80 118.70 118.87 2hna s GLU 34 Ca -0.05 -1.93 -0.30 0.00 0.00 0.00 0.00 54.97 52.69 2hna s GLU 34 Cb -0.02 -3.23 -0.03 0.00 2.00 0.00 0.00 34.13 32.86 2hna s GLU 34 CO -0.04 -0.95 1.29 0.99 -0.56 0.00 0.00 175.26 175.98 2hna s THR 35 N 0.83 4.13 0.23 -1.70 2.01 -1.26 -0.95 115.64 118.93 2hna s THR 35 Ca 0.11 1.42 -0.08 0.00 0.31 0.00 0.00 61.69 63.46 2hna s THR 35 Cb -0.20 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2hna s THR 35 CO -0.07 -0.06 0.32 -0.76 -0.69 0.00 0.00 174.62 173.36 2hna s LEU 36 N 2.94 0.69 -0.29 4.42 1.43 -0.42 -4.97 118.68 122.47 2hna s LEU 36 Ca 0.58 -1.13 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2hna s LEU 36 Cb -0.25 1.16 0.46 0.00 0.03 0.00 0.00 46.19 47.58 2hna s LEU 36 CO 0.20 -1.01 1.21 0.00 0.23 0.00 0.00 176.35 176.98 2hna n HIS 37 N -0.33 2.64 -4.01 0.29 1.44 -1.26 -1.16 115.22 112.84 2hna n HIS 37 Ca -0.00 -2.21 -0.28 0.00 -2.01 0.00 0.00 57.72 53.22 2hna n HIS 37 Cb 0.64 -0.36 -0.03 0.00 0.12 0.00 0.00 29.99 30.36 2hna n HIS 37 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hna n GLY 38 N -0.73 -0.32 0.29 -1.39 0.00 -1.04 -4.69 105.19 97.32 2hna n GLY 38 Ca 0.43 0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.82 2hna n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hna h PRO 39 N -1.88 0.00 0.00 1.61 0.13 -1.93 -1.69 132.00 128.24 2hna h PRO 39 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2hna h PRO 39 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2hna h PRO 39 CO 0.62 0.05 -0.13 1.28 -0.23 0.00 0.00 178.00 179.58 2hna n LEU 40 N -3.31 1.36 0.00 1.56 4.77 -1.26 -5.01 117.00 115.11 2hna n LEU 40 Ca -0.02 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 2hna n LEU 40 Cb 0.20 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2hna n LEU 40 CO 0.26 0.46 0.00 -0.11 -1.33 0.00 0.00 177.39 176.67 2hna n LEU 41 N -0.69 0.00 -3.05 2.23 7.94 -0.64 -4.63 117.00 118.17 2hna n LEU 41 Ca 0.07 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2hna n LEU 41 Cb 0.56 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.50 2hna n LEU 41 CO 0.00 0.00 0.07 -1.83 -1.11 0.00 0.00 177.39 174.52 2hna s GLU 42 N 0.00 0.91 0.12 1.96 -1.05 -1.26 -4.86 118.70 114.52 2hna s GLU 42 Ca 0.00 -0.69 -0.16 0.00 -0.15 0.00 0.00 54.97 53.97 2hna s GLU 42 Cb 0.00 -0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.59 2hna s GLU 42 CO 0.00 -1.25 1.61 0.22 0.95 0.00 0.00 175.26 176.78 2hna h ASP 43 N 6.16 0.56 -3.83 0.83 3.58 -1.98 -3.42 116.42 118.32 2hna h ASP 43 Ca 0.06 -0.25 -0.48 0.00 0.42 0.00 0.00 57.03 56.78 2hna h ASP 43 Cb 1.13 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2hna h ASP 43 CO 0.08 0.67 0.17 -0.76 -2.88 0.00 0.00 179.24 176.52 2hna s LEU 44 N -9.60 3.96 0.00 2.28 1.43 -1.26 -5.08 118.68 110.41 2hna s LEU 44 Ca -0.13 1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 2hna s LEU 44 Cb 0.09 -4.20 0.22 0.00 0.03 0.00 0.00 46.19 42.34 2hna s LEU 44 CO 0.76 -0.31 0.74 -0.81 0.23 0.00 0.00 176.35 176.96 2hna n PRO 45 N -0.71 -2.69 -0.05 1.29 -0.04 -1.26 -4.87 135.00 126.67 2hna n PRO 45 Ca 0.04 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 2hna n PRO 45 Cb 0.54 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2hna n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hna n ALA 46 N -4.38 2.22 -3.65 0.55 0.00 -1.26 -4.52 120.51 109.47 2hna n ALA 46 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 2hna n ALA 46 Cb 0.41 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 2hna n ALA 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hna s SER 47 N 1.19 -1.00 0.00 0.00 0.01 -1.26 -3.75 113.70 108.88 2hna s SER 47 Ca 0.00 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2hna s SER 47 Cb 0.00 2.02 0.00 0.00 0.21 0.00 0.00 66.02 68.25 2hna s SER 47 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2hna n GLY 48 N 5.24 0.34 3.23 3.44 0.00 -1.24 -4.95 105.19 111.23 2hna n GLY 48 Ca -0.13 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 2hna n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hna s ILE 49 N -4.00 1.82 -0.04 -0.61 -1.09 -1.20 -3.34 121.20 112.74 2hna s ILE 49 Ca 0.00 -0.94 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 2hna s ILE 49 Cb 0.00 -1.54 -0.02 0.00 -1.58 0.00 0.00 42.46 39.33 2hna s ILE 49 CO 0.00 0.51 -0.24 0.26 -1.23 0.00 0.00 174.94 174.24 2hna s TRP 50 N -0.18 2.43 -0.02 3.97 0.52 -0.38 -2.76 118.94 122.53 2hna s TRP 50 Ca -0.01 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.57 2hna s TRP 50 Cb -0.12 -1.57 -0.00 0.00 -1.15 0.00 0.00 33.47 30.63 2hna s TRP 50 CO 0.02 -0.12 -0.10 -0.51 0.02 0.00 0.00 176.95 176.26 2hna s LEU 51 N -0.36 1.90 -0.04 2.99 1.43 -0.53 -1.85 118.68 122.22 2hna s LEU 51 Ca 0.03 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2hna s LEU 51 Cb -0.12 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 2hna s LEU 51 CO 0.02 0.10 -0.24 -0.69 0.23 0.00 0.00 176.35 175.76 2hna s VAL 52 N -0.01 1.97 -0.18 -1.59 1.01 -0.17 -0.60 120.40 120.83 2hna s VAL 52 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2hna s VAL 52 Cb -0.07 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.71 2hna s VAL 52 CO 0.00 0.55 -0.02 -0.63 0.00 0.00 0.00 175.10 175.01 2hna s ILE 53 N -0.37 0.90 0.29 2.22 1.09 -0.80 -0.72 121.20 123.82 2hna s ILE 53 Ca 0.03 -0.63 -0.13 0.00 -1.10 0.00 0.00 60.65 58.82 2hna s ILE 53 Cb -0.11 -1.21 0.05 0.00 -1.06 0.00 0.00 42.46 40.13 2hna s ILE 53 CO 0.01 -0.01 0.70 -1.20 -0.10 0.00 0.00 174.94 174.33 2hna n SER 54 N 4.93 -1.81 -3.87 3.58 7.64 -1.07 -3.23 113.62 119.79 2hna n SER 54 Ca -0.10 -2.20 -0.23 0.00 1.01 0.00 0.00 58.87 57.35 2hna n SER 54 Cb 0.47 3.00 -0.17 0.00 -1.01 0.00 0.00 64.21 66.51 2hna n SER 54 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hna s SER 55 N -2.77 1.47 0.00 6.43 0.01 -1.26 -1.29 113.70 116.29 2hna s SER 55 Ca 0.14 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2hna s SER 55 Cb -0.04 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.63 2hna s SER 55 CO 0.09 -0.10 0.57 0.35 0.41 0.00 0.00 173.24 174.56 2hna n THR 56 N 4.53 0.22 -3.90 1.44 -2.24 -1.26 -4.08 114.28 108.98 2hna n THR 56 Ca -0.17 -0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 60.95 2hna n THR 56 Cb 0.50 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 2hna n THR 56 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2hna s HIS 57 N -0.22 0.09 0.00 4.78 5.65 -1.26 -4.46 115.29 119.86 2hna s HIS 57 Ca 0.00 -0.20 0.00 0.00 0.25 0.00 0.00 55.06 55.11 2hna s HIS 57 Cb 0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 32.58 31.32 2hna s HIS 57 CO 0.00 -0.22 0.00 0.41 -0.65 0.00 0.00 174.74 174.28 2hna n GLY 58 N 1.74 1.26 2.74 1.59 0.00 -1.26 -4.43 105.19 106.84 2hna n GLY 58 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 2hna n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 59 N 0.00 2.79 -3.00 4.61 0.00 -1.26 -5.09 120.51 118.56 2hna n ALA 59 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.90 2hna n ALA 59 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2hna n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hna n GLY 60 N -0.51 4.63 2.54 0.00 0.00 -1.26 -4.67 105.19 105.92 2hna n GLY 60 Ca 0.04 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 2hna n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hna n ASP 61 N 0.00 -1.75 -0.38 1.61 2.03 -1.26 -5.01 116.55 111.79 2hna n ASP 61 Ca 0.00 -2.72 0.38 0.00 0.52 0.00 0.00 54.79 52.97 2hna n ASP 61 Cb 0.00 0.54 0.76 0.00 -0.72 0.00 0.00 41.12 41.70 2hna n ASP 61 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2hna h ILE 62 N 4.23 0.35 -0.37 5.18 3.07 -1.91 -0.21 117.51 127.85 2hna h ILE 62 Ca 0.12 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.59 2hna h ILE 62 Cb 0.99 0.35 -0.02 0.00 -0.27 0.00 0.00 36.82 37.87 2hna h ILE 62 CO 0.25 0.00 0.25 -0.65 -1.05 0.00 0.00 178.15 176.95 2hna h PRO 63 N 0.00 0.23 0.00 0.16 0.11 -1.97 -3.36 132.00 127.16 2hna h PRO 63 Ca 0.62 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.52 2hna h PRO 63 Cb 2.49 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 33.40 2hna h PRO 63 CO -0.01 0.15 -0.31 -3.47 -0.21 0.00 0.00 178.00 174.16 2hna n ASP 64 N -4.47 -1.69 0.03 -2.05 2.03 -0.54 -5.03 116.55 104.82 2hna n ASP 64 Ca 0.05 -2.34 0.13 0.00 0.52 0.00 0.00 54.79 53.15 2hna n ASP 64 Cb 0.27 0.86 0.59 0.00 -0.72 0.00 0.00 41.12 42.12 2hna n ASP 64 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2hna h ASN 65 N 1.52 0.18 -3.50 1.67 -0.00 -1.24 -3.19 115.58 111.01 2hna h ASN 65 Ca -0.36 0.00 -0.61 0.00 -0.00 0.00 0.00 56.30 55.33 2hna h ASN 65 Cb 1.30 -0.04 -0.40 0.00 -0.00 0.00 0.00 38.32 39.18 2hna h ASN 65 CO -0.13 0.11 -0.74 -0.76 -0.00 0.00 0.00 177.43 175.92 2hna s LEU 66 N -9.11 2.69 0.02 0.34 1.02 -1.26 -1.04 118.68 111.33 2hna s LEU 66 Ca -0.06 -2.59 -0.25 0.00 0.02 0.00 0.00 54.13 51.24 2hna s LEU 66 Cb 0.19 -1.03 -0.17 0.00 0.02 0.00 0.00 46.19 45.19 2hna s LEU 66 CO 0.72 -0.27 1.31 0.77 0.02 0.00 0.00 176.35 178.91 2hna h SER 67 N 6.78 -0.30 -0.28 2.29 4.64 -1.67 -1.16 113.55 123.84 2hna h SER 67 Ca -0.02 -0.18 -0.15 0.00 -0.47 0.00 0.00 61.79 60.98 2hna h SER 67 Cb 0.93 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2hna h SER 67 CO 0.48 0.03 -0.37 1.55 -0.87 0.00 0.00 176.83 177.65 2hna h PRO 68 N -0.66 0.83 0.62 4.77 0.13 -1.93 -3.27 132.00 132.49 2hna h PRO 68 Ca -0.04 -0.42 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2hna h PRO 68 Cb 0.46 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.61 2hna h PRO 68 CO 0.06 1.05 -0.30 0.35 -0.23 0.00 0.00 178.00 178.94 2hna h PHE 69 N 0.68 -0.77 -0.30 1.56 3.04 -1.82 -1.65 116.94 117.68 2hna h PHE 69 Ca 0.06 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.00 2hna h PHE 69 Cb 0.93 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.68 2hna h PHE 69 CO 0.05 -0.43 0.19 -0.92 -2.02 0.00 0.00 178.31 175.18 2hna h TYR 70 N -1.06 0.35 -0.10 0.41 3.20 -1.33 0.30 116.97 118.75 2hna h TYR 70 Ca -0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 2hna h TYR 70 Cb 0.69 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2hna h TYR 70 CO 0.00 0.21 0.02 0.93 -1.64 0.00 0.00 178.16 177.69 2hna h GLU 71 N 0.38 0.16 0.00 1.82 5.08 -1.61 -2.86 114.58 117.54 2hna h GLU 71 Ca 0.12 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2hna h GLU 71 Cb -0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2hna h GLU 71 CO -0.04 0.33 -0.17 0.00 -1.00 0.00 0.00 179.01 178.13 2hna h ALA 72 N 0.82 1.35 0.68 3.43 0.00 -0.92 -0.92 119.26 123.70 2hna h ALA 72 Ca 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2hna h ALA 72 Cb 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2hna h ALA 72 CO 0.00 0.21 -0.33 -0.07 0.00 0.00 0.00 179.25 179.06 2hna h LEU 73 N 0.00 -0.78 -1.84 0.00 3.38 -0.84 -3.28 115.31 111.95 2hna h LEU 73 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2hna h LEU 73 Cb 0.40 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2hna h LEU 73 CO 0.02 -0.51 0.00 1.56 0.09 0.00 0.00 178.44 179.60 2hna h GLN 74 N -1.01 0.00 -0.30 1.13 4.20 -1.22 0.26 115.11 118.18 2hna h GLN 74 Ca -0.09 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2hna h GLN 74 Cb 0.70 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2hna h GLN 74 CO 0.15 0.00 -0.11 1.49 -0.67 0.00 0.00 178.83 179.69 2hna h GLU 75 N 0.00 0.50 0.00 1.46 4.81 -1.24 -3.38 114.58 116.73 2hna h GLU 75 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2hna h GLU 75 Cb 0.35 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2hna h GLU 75 CO 0.00 0.62 -0.43 0.00 -0.73 0.00 0.00 179.01 178.46 2hna n GLN 76 N -4.21 2.88 -3.70 1.92 10.64 -0.88 -5.08 117.38 118.95 2hna n GLN 76 Ca 0.01 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.96 2hna n GLN 76 Cb 0.32 -0.72 0.01 0.00 -0.86 0.00 0.00 30.24 28.99 2hna n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2hna n LYS 77 N -0.81 -0.67 -0.88 2.61 5.02 0.86 -4.87 118.16 119.43 2hna n LYS 77 Ca 0.00 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2hna n LYS 77 Cb 0.07 -0.98 0.19 0.00 -0.02 0.00 0.00 35.03 34.29 2hna n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hna s PRO 78 N -5.51 0.22 -1.55 1.97 0.04 -1.26 -4.85 135.00 124.06 2hna s PRO 78 Ca 0.19 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2hna s PRO 78 Cb -0.10 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2hna s PRO 78 CO 0.52 -2.96 2.66 -3.47 0.04 0.00 0.00 177.00 173.78 2hna n ASP 79 N -4.39 6.92 0.00 6.66 2.03 -1.26 -4.27 116.55 122.24 2hna n ASP 79 Ca 0.06 -2.70 0.00 0.00 0.52 0.00 0.00 54.79 52.67 2hna n ASP 79 Cb 0.55 -1.59 0.01 0.00 -0.72 0.00 0.00 41.12 39.37 2hna n ASP 79 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2hna n LEU 80 N 4.40 0.00 0.00 -2.67 7.99 -1.25 -4.14 117.00 121.34 2hna n LEU 80 Ca 0.68 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.71 2hna n LEU 80 Cb 0.29 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.77 2hna n LEU 80 CO 0.87 0.00 0.46 -1.20 -1.51 0.00 0.00 177.39 176.01 2hna n SER 81 N -0.51 0.00 0.00 -1.43 7.64 -1.24 -0.84 113.62 117.24 2hna n SER 81 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2hna n SER 81 Cb 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hna n ALA 82 N -1.12 2.01 -2.50 -0.43 0.00 -1.26 -4.96 120.51 112.26 2hna n ALA 82 Ca 0.04 -0.98 -0.25 0.00 0.00 0.00 0.00 53.44 52.24 2hna n ALA 82 Cb 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.35 2hna n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hna s VAL 83 N -0.97 1.69 -0.06 0.00 0.11 -0.02 -3.70 120.40 117.46 2hna s VAL 83 Ca 0.00 -1.31 -0.09 0.00 -2.93 0.00 0.00 61.98 57.65 2hna s VAL 83 Cb 0.00 -1.49 -0.05 0.00 -1.53 0.00 0.00 36.38 33.31 2hna s VAL 83 CO 0.00 0.13 0.24 0.00 -3.33 0.00 0.00 175.10 172.14 2hna s ARG 84 N -1.40 3.60 0.16 1.54 1.70 -1.21 -2.12 118.95 121.22 2hna s ARG 84 Ca 0.07 0.02 0.09 0.00 -0.47 0.00 0.00 55.73 55.44 2hna s ARG 84 Cb -0.09 -3.17 -0.04 0.00 -0.57 0.00 0.00 34.95 31.08 2hna s ARG 84 CO 0.03 0.72 -0.14 0.12 -1.08 0.00 0.00 175.30 174.95 2hna s PHE 85 N -1.12 2.57 0.00 5.89 5.36 0.07 -1.24 117.98 129.50 2hna s PHE 85 Ca 0.21 -0.25 -0.07 0.00 -0.96 0.00 0.00 56.93 55.86 2hna s PHE 85 Cb -0.13 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 2hna s PHE 85 CO 0.10 0.47 0.14 0.20 -1.46 0.00 0.00 175.22 174.67 2hna s GLY 86 N -2.60 0.04 -0.07 13.12 0.00 -0.77 -1.20 107.32 115.84 2hna s GLY 86 Ca 0.22 -0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.87 2hna s GLY 86 CO 0.13 -0.25 -0.21 0.00 0.00 0.00 0.00 173.10 172.77 2hna s ALA 87 N -1.33 2.33 -0.05 3.20 0.00 -1.26 -1.00 121.76 123.65 2hna s ALA 87 Ca -0.14 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.82 2hna s ALA 87 Cb -0.07 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.25 2hna s ALA 87 CO 0.02 0.41 -0.04 0.42 0.00 0.00 0.00 175.76 176.57 2hna s ILE 88 N -0.15 0.49 0.00 0.00 1.01 0.11 -0.74 121.20 121.91 2hna s ILE 88 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2hna s ILE 88 Cb -0.14 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2hna s ILE 88 CO 0.04 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2hna n GLY 89 N 4.15 2.19 3.65 6.18 0.00 0.23 -2.58 105.19 119.00 2hna n GLY 89 Ca -0.23 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.22 2hna n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hna n ILE 90 N -0.17 0.27 0.03 -0.61 5.41 -0.41 -4.55 119.36 119.34 2hna n ILE 90 Ca 0.00 -0.08 -0.20 0.00 1.00 0.00 0.00 62.75 63.47 2hna n ILE 90 Cb 0.00 -1.25 -0.11 0.00 -0.71 0.00 0.00 39.64 37.57 2hna n ILE 90 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2hna h GLY 91 N 8.12 0.71 -7.11 7.39 0.00 -1.86 -3.44 103.07 106.87 2hna h GLY 91 Ca -0.41 -1.25 -0.60 0.00 0.00 0.00 0.00 47.33 45.06 2hna h GLY 91 CO 0.98 1.11 1.51 -1.14 0.00 0.00 0.00 176.54 179.00 2hna n SER 92 N -3.94 1.92 -1.47 0.19 3.41 -1.26 -4.58 113.62 107.91 2hna n SER 92 Ca -0.11 0.19 -0.03 0.00 -0.26 0.00 0.00 58.87 58.66 2hna n SER 92 Cb 0.84 -1.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.50 2hna n SER 92 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2hna n ARG 93 N 8.42 0.18 0.33 4.33 1.74 -1.26 -4.98 116.66 125.42 2hna n ARG 93 Ca 0.44 -0.64 0.21 0.00 -0.77 0.00 0.00 57.85 57.09 2hna n ARG 93 Cb 0.27 0.64 1.14 0.00 -1.02 0.00 0.00 32.46 33.49 2hna n ARG 93 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2hna h GLU 94 N 0.00 0.00 0.00 5.56 5.08 -2.00 -3.44 114.58 119.78 2hna h GLU 94 Ca -0.07 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 2hna h GLU 94 Cb 0.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2hna h GLU 94 CO 0.09 0.00 -0.17 2.48 -1.00 0.00 0.00 179.01 180.42 2hna n TYR 95 N -3.19 -0.26 -4.09 4.33 4.11 -1.26 -4.92 117.16 111.87 2hna n TYR 95 Ca -0.03 -1.00 -0.32 0.00 -0.00 0.00 0.00 57.90 56.55 2hna n TYR 95 Cb 0.09 0.10 -0.02 0.00 -0.00 0.00 0.00 39.34 39.51 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2hna n ASP 96 N -2.48 -2.42 -2.93 9.48 2.03 -1.26 -4.73 116.55 114.25 2hna n ASP 96 Ca 0.02 -0.98 -0.14 0.00 0.52 0.00 0.00 54.79 54.21 2hna n ASP 96 Cb 0.22 -2.99 0.01 0.00 -0.72 0.00 0.00 41.12 37.64 2hna n ASP 96 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hna n THR 97 N -4.43 -0.21 0.00 5.18 -1.04 -1.26 -4.19 114.28 108.33 2hna n THR 97 Ca -0.07 -2.61 0.00 0.00 -2.04 0.00 0.00 64.05 59.34 2hna n THR 97 Cb 0.56 0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 2hna n THR 97 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2hna n PHE 98 N 1.13 0.00 -1.38 -1.42 3.72 -1.26 -4.79 117.46 113.46 2hna n PHE 98 Ca 0.14 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.56 2hna n PHE 98 Cb 0.62 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.19 2hna n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hna n GLY 100 N -0.33 1.25 3.43 0.00 0.00 -1.26 -5.02 105.19 103.25 2hna n GLY 100 Ca 0.03 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna s ALA 101 N -2.00 -1.45 -0.30 4.61 0.00 -1.26 -4.66 121.76 116.70 2hna s ALA 101 Ca 0.00 0.99 0.18 0.00 0.00 0.00 0.00 51.96 53.13 2hna s ALA 101 Cb 0.00 0.04 0.46 0.00 0.00 0.00 0.00 23.12 23.62 2hna s ALA 101 CO 0.00 -0.34 1.30 1.51 0.00 0.00 0.00 175.76 178.23 2hna n ILE 102 N 1.00 0.67 0.25 0.00 0.00 -1.26 -4.91 119.36 115.12 2hna n ILE 102 Ca -0.20 -2.05 0.18 0.00 0.00 0.00 0.00 62.75 60.68 2hna n ILE 102 Cb 0.57 1.14 0.88 0.00 0.00 0.00 0.00 39.64 42.24 2hna n ILE 102 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2hna h ASP 103 N 1.91 0.00 -0.72 9.51 3.58 -1.94 -2.45 116.42 126.32 2hna h ASP 103 Ca -0.28 0.00 0.21 0.00 0.42 0.00 0.00 57.03 57.38 2hna h ASP 103 Cb 1.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 2hna h ASP 103 CO 0.02 0.00 0.52 0.11 -2.88 0.00 0.00 179.24 177.02 2hna h LYS 104 N 0.00 0.00 0.34 0.28 1.57 -1.97 -0.27 116.57 116.51 2hna h LYS 104 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2hna h LYS 104 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2hna h LYS 104 CO -0.00 0.00 -0.22 1.25 -0.57 0.00 0.00 179.45 179.90 2hna h LEU 105 N 0.00 -0.57 -0.69 2.94 7.12 -1.88 -0.38 115.31 121.85 2hna h LEU 105 Ca 0.34 0.04 -0.11 0.00 0.13 0.00 0.00 57.88 58.28 2hna h LEU 105 Cb 1.38 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.67 2hna h LEU 105 CO -0.00 -0.35 -0.21 -0.33 -0.13 0.00 0.00 178.44 177.41 2hna h GLU 106 N -0.55 0.79 -0.11 1.25 5.08 -1.47 -2.79 114.58 116.79 2hna h GLU 106 Ca -0.03 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2hna h GLU 106 Cb 0.46 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2hna h GLU 106 CO 0.02 0.93 0.06 0.00 -1.00 0.00 0.00 179.01 179.03 2hna h ALA 107 N 1.07 0.13 -0.35 3.43 0.00 -0.91 -1.71 119.26 120.92 2hna h ALA 107 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2hna h ALA 107 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2hna h ALA 107 CO 0.06 -0.36 -0.05 0.93 0.00 0.00 0.00 179.25 179.83 2hna h GLU 108 N 0.11 0.57 -0.02 0.00 4.39 -0.93 0.97 114.58 119.66 2hna h GLU 108 Ca 0.04 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2hna h GLU 108 Cb 0.03 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2hna h GLU 108 CO -0.01 0.63 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.39 2hna h LEU 109 N 0.53 -0.02 -0.79 1.33 3.38 -1.22 0.81 115.31 119.33 2hna h LEU 109 Ca 0.11 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2hna h LEU 109 Cb 0.42 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2hna h LEU 109 CO 0.02 -0.01 -0.41 0.11 0.09 0.00 0.00 178.44 178.24 2hna h LYS 110 N 0.00 0.41 -0.43 1.13 1.57 -0.74 -1.44 116.57 117.08 2hna h LYS 110 Ca 0.01 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 2hna h LYS 110 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2hna h LYS 110 CO -0.02 0.76 -0.17 -0.97 -0.57 0.00 0.00 179.45 178.48 2hna h ASN 111 N 0.34 0.82 -0.61 0.86 -1.24 -0.74 -3.04 115.58 111.98 2hna h ASN 111 Ca 0.03 -0.27 -0.09 0.00 0.71 0.00 0.00 56.30 56.68 2hna h ASN 111 Cb 0.87 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 2hna h ASN 111 CO 0.07 0.98 0.04 0.28 -1.29 0.00 0.00 177.43 177.51 2hna h SER 112 N 0.72 1.02 0.00 1.15 0.02 -0.19 -3.47 113.55 112.80 2hna h SER 112 Ca 0.11 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2hna h SER 112 Cb 0.67 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2hna h SER 112 CO 0.05 1.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.41 2hna n GLY 113 N -0.46 0.16 3.73 -3.77 0.00 -0.60 -3.76 105.19 100.49 2hna n GLY 113 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2hna n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna s ALA 114 N 0.00 3.65 -0.36 4.61 0.00 -1.02 -3.61 121.76 125.03 2hna s ALA 114 Ca 0.00 1.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 2hna s ALA 114 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2hna s ALA 114 CO 0.00 -0.71 0.93 -1.59 0.00 0.00 0.00 175.76 174.39 2hna s LYS 115 N 0.29 3.87 -0.15 0.00 -2.85 -0.90 -4.20 119.74 115.80 2hna s LYS 115 Ca 0.63 0.62 -0.29 0.00 -1.00 0.00 0.00 55.97 55.93 2hna s LYS 115 Cb -0.41 -3.79 -0.05 0.00 -2.06 0.00 0.00 37.83 31.52 2hna s LYS 115 CO 0.37 -0.93 1.91 -1.14 0.10 0.00 0.00 175.35 175.66 2hna s GLN 116 N 3.46 3.67 -0.18 1.78 0.74 -1.26 -0.75 119.66 127.12 2hna s GLN 116 Ca 0.38 2.03 0.00 0.00 0.05 0.00 0.00 55.36 57.83 2hna s GLN 116 Cb -0.12 -4.18 0.04 0.00 1.10 0.00 0.00 33.01 29.85 2hna s GLN 116 CO 0.18 -1.47 -0.08 0.99 -0.55 0.00 0.00 175.29 174.36 2hna s THR 117 N 6.02 1.38 0.00 -0.34 2.01 -0.34 -4.91 115.64 119.46 2hna s THR 117 Ca 0.86 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2hna s THR 117 Cb -0.32 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.69 2hna s THR 117 CO 0.35 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 2hna n GLY 118 N 4.78 2.13 3.65 4.40 0.00 -1.26 -4.52 105.19 114.37 2hna n GLY 118 Ca -0.13 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.64 2hna n GLY 118 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hna n GLU 119 N 0.32 1.77 -1.60 1.61 0.00 -1.26 -4.54 120.64 116.94 2hna n GLU 119 Ca 0.00 0.63 -0.56 0.00 0.00 0.00 0.00 57.16 57.22 2hna n GLU 119 Cb 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 31.44 29.19 2hna n GLU 119 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2hna n THR 120 N 1.05 0.24 -2.58 3.84 -1.04 -1.26 -4.90 114.28 109.63 2hna n THR 120 Ca 0.10 -0.10 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2hna n THR 120 Cb 0.32 -1.25 -0.04 0.00 -1.82 0.00 0.00 70.33 67.53 2hna n THR 120 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2hna s LEU 121 N 4.79 3.73 0.05 -4.42 0.20 0.08 -4.94 118.68 118.16 2hna s LEU 121 Ca 1.04 1.47 0.05 0.00 0.69 0.00 0.00 54.13 57.38 2hna s LEU 121 Cb -1.07 -4.38 -0.02 0.00 -0.43 0.00 0.00 46.19 40.29 2hna s LEU 121 CO 0.62 -0.50 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.48 2hna s LYS 122 N -3.87 0.99 0.15 1.98 1.02 -1.26 -0.60 119.74 118.15 2hna s LYS 122 Ca 0.57 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.74 2hna s LYS 122 Cb -0.10 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.14 2hna s LYS 122 CO 0.29 0.25 -0.02 0.96 -0.92 0.00 0.00 175.35 175.91 2hna s ILE 123 N -0.92 0.66 0.52 2.17 -5.25 -1.25 -3.69 121.20 113.43 2hna s ILE 123 Ca 0.02 -1.96 0.00 0.00 -0.99 0.00 0.00 60.65 57.72 2hna s ILE 123 Cb -0.08 -1.97 0.00 0.00 2.95 0.00 0.00 42.46 43.35 2hna s ILE 123 CO 0.02 -0.60 0.00 -0.46 -1.79 0.00 0.00 174.94 172.10 2hna n ASN 124 N -0.17 -8.30 0.00 4.36 0.23 -1.00 -3.45 115.26 106.93 2hna n ASN 124 Ca -0.08 1.31 0.00 0.00 -0.53 0.00 0.00 54.58 55.27 2hna n ASN 124 Cb 0.62 -4.96 0.00 0.00 -2.08 0.00 0.00 39.78 33.36 2hna n ASN 124 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hna n ILE 125 N -1.16 0.00 0.24 1.53 0.13 -1.26 -1.11 119.36 117.73 2hna n ILE 125 Ca 0.00 0.00 0.07 0.00 -1.10 0.00 0.00 62.75 61.72 2hna n ILE 125 Cb 0.07 0.51 0.59 0.00 -0.84 0.00 0.00 39.64 39.97 2hna n ILE 125 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 2hna h LEU 126 N 0.00 0.00 -8.18 9.51 5.85 -1.96 -3.44 115.31 117.08 2hna h LEU 126 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2hna h LEU 126 Cb 0.99 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 2hna h LEU 126 CO 0.00 0.11 -0.24 -0.62 -0.34 0.00 0.00 178.44 177.35 2hna s ASP 127 N -6.93 -0.03 0.57 1.25 2.15 -1.26 -5.15 116.67 107.27 2hna s ASP 127 Ca -0.04 -0.93 -0.20 0.00 0.43 0.00 0.00 52.55 51.81 2hna s ASP 127 Cb 0.16 0.51 -0.05 0.00 -0.30 0.00 0.00 42.92 43.24 2hna s ASP 127 CO 0.67 -1.01 1.12 0.00 -0.17 0.00 0.00 175.17 175.78 2hna n HIS 128 N -0.31 1.41 0.00 -5.34 1.44 -1.26 -4.95 115.22 106.22 2hna n HIS 128 Ca -0.04 0.45 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 2hna n HIS 128 Cb 0.63 -2.23 0.00 0.00 0.12 0.00 0.00 29.99 28.51 2hna n HIS 128 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2hna n ASP 129 N -0.83 0.00 0.10 4.39 2.03 -1.26 -5.06 116.55 115.92 2hna n ASP 129 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2hna n ASP 129 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2hna n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2hna n ILE 130 N 0.00 0.22 -0.02 5.18 2.08 -1.26 -4.87 119.36 120.69 2hna n ILE 130 Ca 0.00 0.07 -0.12 0.00 0.56 0.00 0.00 62.75 63.26 2hna n ILE 130 Cb 0.00 -0.64 -0.07 0.00 -0.75 0.00 0.00 39.64 38.17 2hna n ILE 130 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2hna h PRO 131 N 0.00 0.12 -6.50 0.38 0.13 -1.85 -3.48 132.00 120.81 2hna h PRO 131 Ca 0.00 -0.04 -0.42 0.00 -0.87 0.00 0.00 66.00 64.68 2hna h PRO 131 Cb 0.00 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.12 2hna h PRO 131 CO 0.00 0.38 -0.89 -1.91 -0.23 0.00 0.00 178.00 175.35 2hna n GLU 132 N -4.86 -1.33 -3.74 0.86 2.13 -1.22 -4.71 120.64 107.76 2hna n GLU 132 Ca -0.07 0.78 -0.13 0.00 0.66 0.00 0.00 57.16 58.40 2hna n GLU 132 Cb 0.18 -3.05 -0.10 0.00 0.27 0.00 0.00 31.44 28.74 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2hna s ASP 133 N -3.09 -0.39 0.61 4.31 -1.08 -0.26 -4.94 116.67 111.83 2hna s ASP 133 Ca 0.10 0.73 0.31 0.00 -0.52 0.00 0.00 52.55 53.17 2hna s ASP 133 Cb -0.05 0.76 1.69 0.00 -1.46 0.00 0.00 42.92 43.86 2hna s ASP 133 CO 0.88 -0.15 1.94 -0.65 0.52 0.00 0.00 175.17 177.71 2hna h PRO 134 N 5.43 0.00 0.00 4.34 0.11 -1.84 -2.66 132.00 137.38 2hna h PRO 134 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2hna h PRO 134 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2hna h PRO 134 CO 0.27 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.06 2hna n ALA 135 N -1.89 0.00 0.04 -0.75 0.00 -1.24 -4.73 120.51 111.93 2hna n ALA 135 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2hna n ALA 135 Cb 0.28 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.22 2hna n ALA 135 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hna h GLU 136 N 0.00 0.39 -0.23 0.00 4.11 -1.89 -0.40 114.58 116.56 2hna h GLU 136 Ca 0.00 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.24 2hna h GLU 136 Cb 0.00 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2hna h GLU 136 CO 0.00 0.26 -0.53 0.93 0.07 0.00 0.00 179.01 179.73 2hna h GLU 137 N 0.40 0.66 -0.27 1.06 5.08 -1.99 -0.44 114.58 119.09 2hna h GLU 137 Ca 0.15 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2hna h GLU 137 Cb 0.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2hna h GLU 137 CO -0.03 1.03 -0.04 2.35 -1.00 0.00 0.00 179.01 181.31 2hna h TRP 138 N 0.51 0.56 0.18 4.33 2.91 -1.53 -1.22 115.95 121.69 2hna h TRP 138 Ca 0.01 -0.11 -0.00 0.00 1.13 0.00 0.00 58.89 59.92 2hna h TRP 138 Cb 1.10 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 2hna h TRP 138 CO 0.05 0.69 -0.14 -0.07 -1.03 0.00 0.00 178.44 177.95 2hna h LEU 139 N 0.26 -0.36 -0.78 0.65 4.07 -1.13 -0.36 115.31 117.65 2hna h LEU 139 Ca 0.07 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.10 2hna h LEU 139 Cb 0.50 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.31 2hna h LEU 139 CO 0.02 -0.22 0.49 1.23 -1.08 0.00 0.00 178.44 178.88 2hna h GLY 140 N -0.33 1.15 0.67 0.83 0.00 -0.99 0.13 103.07 104.53 2hna h GLY 140 Ca -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2hna h GLY 140 CO -0.01 0.28 -0.35 1.76 0.00 0.00 0.00 176.54 178.22 2hna h SER 141 N 0.93 -0.84 -0.62 0.19 0.02 -1.09 -1.33 113.55 110.80 2hna h SER 141 Ca 0.33 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.38 2hna h SER 141 Cb 0.08 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 2hna h SER 141 CO -0.14 -0.57 0.31 -0.25 -1.14 0.00 0.00 176.83 175.05 2hna h TRP 142 N -0.93 0.57 0.53 3.45 7.01 -0.75 -1.16 115.95 124.67 2hna h TRP 142 Ca -0.09 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 2hna h TRP 142 Cb 0.73 -0.16 0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2hna h TRP 142 CO 0.03 0.25 -0.26 0.28 -2.79 0.00 0.00 178.44 175.95 2hna h VAL 143 N 0.58 0.45 0.00 2.65 2.07 -0.79 -0.92 116.25 120.28 2hna h VAL 143 Ca 0.29 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2hna h VAL 143 Cb 0.23 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2hna h VAL 143 CO -0.21 0.03 0.00 -0.55 0.02 0.00 0.00 177.57 176.86 2hna h ASN 144 N -0.83 0.00 0.04 0.57 7.08 -0.88 -0.09 115.58 121.47 2hna h ASN 144 Ca -0.07 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.06 2hna h ASN 144 Cb 0.60 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.84 2hna h ASN 144 CO 0.12 0.00 -0.36 -0.07 -2.08 0.00 0.00 177.43 175.04 2hna h LEU 145 N 0.00 0.25 -0.55 6.14 4.07 -1.07 -3.36 115.31 120.78 2hna h LEU 145 Ca 0.00 -0.89 -0.16 0.00 0.08 0.00 0.00 57.88 56.91 2hna h LEU 145 Cb 0.37 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2hna h LEU 145 CO 0.00 1.11 -0.68 0.17 -1.08 0.00 0.00 178.44 177.96 2hna h LEU 146 N -0.58 0.24 0.00 1.67 8.10 -0.56 -3.51 115.31 120.67 2hna h LEU 146 Ca -0.06 -0.16 0.00 0.00 0.11 0.00 0.00 57.88 57.78 2hna h LEU 146 Cb 1.20 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.35 2hna h LEU 146 CO 0.07 0.85 0.00 0.29 -4.11 0.00 0.00 178.44 175.54