#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 -0.33 -0.07 3.04 0.00 -1.26 -4.69 121.76 118.45 2hna s ALA 2 Ca 0.00 -0.63 0.17 0.00 0.00 0.00 0.00 51.96 51.50 2hna s ALA 2 Cb 0.00 0.80 -0.26 0.00 0.00 0.00 0.00 23.12 23.66 2hna s ALA 2 CO 0.00 -0.67 0.28 -3.47 0.00 0.00 0.00 175.76 171.91 2hna n ASP 3 N -0.23 0.87 -3.89 0.00 2.03 0.59 -4.92 116.55 111.00 2hna n ASP 3 Ca -0.10 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.99 2hna n ASP 3 Cb 0.63 1.52 -0.17 0.00 -0.72 0.00 0.00 41.12 42.38 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 -2.97 0.66 -0.13 5.18 1.01 -0.93 -2.84 121.20 121.16 2hna s ILE 4 Ca -0.07 -0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 2hna s ILE 4 Cb 0.09 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 2hna s ILE 4 CO 0.73 0.27 0.66 0.28 0.00 0.00 0.00 174.94 176.88 2hna s THR 5 N 1.22 5.04 -0.76 2.92 -1.32 -1.16 -1.83 115.64 119.76 2hna s THR 5 Ca -0.06 1.30 -0.12 0.00 -1.21 0.00 0.00 61.69 61.60 2hna s THR 5 Cb -0.14 -3.98 0.20 0.00 -1.51 0.00 0.00 72.50 67.07 2hna s THR 5 CO -0.02 0.18 0.68 -0.76 -2.21 0.00 0.00 174.62 172.49 2hna s LEU 6 N 1.34 6.42 -0.79 9.08 2.01 -0.50 -1.83 118.68 134.42 2hna s LEU 6 Ca 0.33 -2.63 -0.22 0.00 0.01 0.00 0.00 54.13 51.61 2hna s LEU 6 Cb -0.16 -2.14 0.08 0.00 0.01 0.00 0.00 46.19 43.97 2hna s LEU 6 CO 0.13 -0.56 1.12 -0.63 1.01 0.00 0.00 176.35 177.43 2hna s ILE 7 N 0.27 4.28 0.00 -0.59 1.01 -0.12 -1.70 121.20 124.34 2hna s ILE 7 Ca 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2hna s ILE 7 Cb -0.14 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.53 2hna s ILE 7 CO -0.07 -1.60 0.00 -0.24 0.00 0.00 0.00 174.94 173.03 2hna n SER 8 N 7.83 1.15 -3.13 3.58 2.88 -0.23 -0.80 113.62 124.90 2hna n SER 8 Ca 0.10 -0.22 -0.15 0.00 -1.33 0.00 0.00 58.87 57.27 2hna n SER 8 Cb 0.48 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.01 2hna n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hna n GLY 9 N 5.00 -0.35 3.70 0.46 0.00 -1.26 -3.03 105.19 109.71 2hna n GLY 9 Ca 0.00 0.09 -0.61 0.00 0.00 0.00 0.00 46.02 45.50 2hna n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hna n SER 10 N -2.90 1.69 -2.56 1.61 7.64 -1.23 -1.01 113.62 116.86 2hna n SER 10 Ca -0.23 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.67 2hna n SER 10 Cb 0.64 -1.03 0.05 0.00 -1.01 0.00 0.00 64.21 62.87 2hna n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hna n THR 11 N 3.93 -4.57 -3.61 0.44 -1.04 -1.22 -4.20 114.28 104.01 2hna n THR 11 Ca 0.27 -0.49 -0.27 0.00 -2.04 0.00 0.00 64.05 61.52 2hna n THR 11 Cb 0.06 -4.45 0.02 0.00 -1.82 0.00 0.00 70.33 64.13 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2hna n LEU 12 N -2.86 -2.23 0.00 -4.42 7.94 -0.18 -4.90 117.00 110.35 2hna n LEU 12 Ca -0.14 -0.59 0.00 0.00 -1.11 0.00 0.00 56.01 54.17 2hna n LEU 12 Cb 0.60 -2.47 0.00 0.00 0.53 0.00 0.00 43.42 42.07 2hna n LEU 12 CO 0.38 0.33 0.00 0.61 -1.11 0.00 0.00 177.39 177.60 2hna n GLY 13 N -1.50 2.30 0.00 -3.96 0.00 -0.21 -5.06 105.19 96.76 2hna n GLY 13 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.61 -1.45 2.84 -0.02 0.00 -1.26 -3.51 105.19 101.17 2hna n GLY 14 Ca 0.00 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 4.72 0.12 4.61 0.00 -1.26 -4.77 120.51 123.93 2hna n ALA 15 Ca 0.00 -3.46 0.19 0.00 0.00 0.00 0.00 53.44 50.17 2hna n ALA 15 Cb 0.00 -3.52 0.72 0.00 0.00 0.00 0.00 19.45 16.65 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 6.72 0.00 -0.90 0.00 5.08 -1.95 -1.96 114.58 121.57 2hna h GLU 16 Ca 0.53 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 59.09 2hna h GLU 16 Cb 0.58 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 2hna h GLU 16 CO 1.88 0.00 0.60 -0.92 -1.00 0.00 0.00 179.01 179.56 2hna h TYR 17 N 0.00 0.52 -0.11 4.33 3.20 -1.99 0.34 116.97 123.26 2hna h TYR 17 Ca 0.17 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 2hna h TYR 17 Cb 1.15 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2hna h TYR 17 CO 0.00 0.14 -0.59 -0.24 -1.64 0.00 0.00 178.16 175.83 2hna h VAL 18 N 0.39 1.36 -0.01 1.81 3.04 -1.77 0.02 116.25 121.09 2hna h VAL 18 Ca 0.47 -1.91 -0.17 0.00 -1.01 0.00 0.00 66.70 64.08 2hna h VAL 18 Cb 1.19 1.92 -0.02 0.00 -2.01 0.00 0.00 31.29 32.37 2hna h VAL 18 CO -0.17 0.57 -0.78 0.00 -1.01 0.00 0.00 177.57 176.18 2hna h ALA 19 N 1.10 0.68 -0.50 3.17 0.00 -1.38 -1.73 119.26 120.61 2hna h ALA 19 Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 2hna h ALA 19 Cb 1.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2hna h ALA 19 CO 0.10 0.90 -0.16 1.49 0.00 0.00 0.00 179.25 181.58 2hna h GLU 20 N 0.07 0.98 0.00 0.00 4.81 -0.66 0.77 114.58 120.54 2hna h GLU 20 Ca -0.02 -0.39 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2hna h GLU 20 Cb 1.37 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2hna h GLU 20 CO 0.11 1.07 -0.08 1.25 -0.73 0.00 0.00 179.01 180.63 2hna h HIS 21 N 0.84 -0.20 -0.19 0.92 2.76 -0.93 -1.67 115.15 116.68 2hna h HIS 21 Ca 0.12 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2hna h HIS 21 Cb 0.73 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.75 2hna h HIS 21 CO 0.05 -0.13 -0.04 -0.07 -1.30 0.00 0.00 177.93 176.45 2hna h LEU 22 N -0.14 -0.16 -0.95 0.26 3.38 -1.14 -2.44 115.31 114.11 2hna h LEU 22 Ca 0.03 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2hna h LEU 22 Cb 0.18 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 2hna h LEU 22 CO -0.08 -0.05 0.57 0.00 0.09 0.00 0.00 178.44 178.96 2hna h ALA 23 N 1.19 1.47 0.59 1.53 0.00 -0.63 -0.66 119.26 122.75 2hna h ALA 23 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2hna h ALA 23 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hna h ALA 23 CO -0.19 0.07 -0.44 1.49 0.00 0.00 0.00 179.25 180.19 2hna h GLU 24 N 0.83 -0.95 -0.77 0.00 4.57 -0.81 -0.49 114.58 116.96 2hna h GLU 24 Ca 0.50 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.86 2hna h GLU 24 Cb 0.62 0.22 -0.08 0.00 -0.16 0.00 0.00 28.75 29.35 2hna h GLU 24 CO -0.32 -0.64 0.39 0.87 -1.18 0.00 0.00 179.01 178.14 2hna h LYS 25 N -0.99 0.61 -0.38 1.92 1.79 -1.33 -1.59 116.57 116.60 2hna h LYS 25 Ca -0.07 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.26 2hna h LYS 25 Cb 0.83 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2hna h LYS 25 CO 0.02 0.40 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.55 2hna h LEU 26 N 0.63 0.72 -0.51 2.94 3.38 -0.89 -0.43 115.31 121.14 2hna h LEU 26 Ca 0.39 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2hna h LEU 26 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2hna h LEU 26 CO -0.30 0.90 -0.50 -0.33 0.09 0.00 0.00 178.44 178.30 2hna h GLU 27 N 0.64 0.64 0.00 1.13 5.08 -0.47 -2.33 114.58 119.27 2hna h GLU 27 Ca 0.10 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2hna h GLU 27 Cb 0.66 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2hna h GLU 27 CO 0.05 0.99 -0.08 0.93 -1.00 0.00 0.00 179.01 179.90 2hna h GLU 28 N 0.50 0.00 0.00 2.33 4.39 -1.02 -1.16 114.58 119.62 2hna h GLU 28 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2hna h GLU 28 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2hna h GLU 28 CO 0.10 0.08 0.00 0.00 -1.16 0.00 0.00 179.01 178.03 2hna n ALA 29 N -2.22 1.86 0.00 3.43 0.00 -0.19 -4.89 120.51 118.50 2hna n ALA 29 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2hna n ALA 29 Cb 0.22 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2hna n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hna n GLY 30 N 0.44 1.70 0.66 0.00 0.00 -0.44 -5.08 105.19 102.46 2hna n GLY 30 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.66 0.11 -4.29 1.61 3.72 -1.21 -5.06 117.46 111.68 2hna n PHE 31 Ca 0.00 -0.49 -0.23 0.00 -0.05 0.00 0.00 57.45 56.68 2hna n PHE 31 Cb 0.00 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.61 1.73 0.06 4.37 -4.23 -1.26 -4.35 115.64 110.34 2hna s THR 32 Ca 0.02 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2hna s THR 32 Cb 0.00 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 2hna s THR 32 CO 0.02 -0.11 0.04 0.42 -0.54 0.00 0.00 174.62 174.45 2hna s THR 33 N -1.34 0.19 -0.20 3.99 -4.23 -1.26 -0.30 115.64 112.49 2hna s THR 33 Ca 0.08 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2hna s THR 33 Cb -0.09 -1.44 0.06 0.00 1.34 0.00 0.00 72.50 72.37 2hna s THR 33 CO 0.05 -0.88 -0.01 -0.70 -0.54 0.00 0.00 174.62 172.54 2hna s GLU 34 N -3.85 1.14 -0.08 3.99 -6.30 -0.76 -4.83 118.70 108.01 2hna s GLU 34 Ca 0.06 -0.65 -0.30 0.00 -2.50 0.00 0.00 54.97 51.58 2hna s GLU 34 Cb 0.07 -2.26 -0.03 0.00 0.00 0.00 0.00 34.13 31.91 2hna s GLU 34 CO -0.10 -0.59 1.18 0.99 0.02 0.00 0.00 175.26 176.76 2hna s THR 35 N 1.65 4.32 0.06 -1.70 2.01 -1.26 -1.41 115.64 119.30 2hna s THR 35 Ca -0.03 1.64 -0.03 0.00 0.31 0.00 0.00 61.69 63.58 2hna s THR 35 Cb -0.17 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2hna s THR 35 CO -0.07 -0.02 0.03 -0.76 -0.69 0.00 0.00 174.62 173.11 2hna s LEU 36 N 2.34 2.19 -0.46 4.42 1.43 -0.69 -4.97 118.68 122.95 2hna s LEU 36 Ca 0.55 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2hna s LEU 36 Cb -0.23 0.42 0.46 0.00 0.03 0.00 0.00 46.19 46.87 2hna s LEU 36 CO 0.20 -0.62 1.58 0.00 0.23 0.00 0.00 176.35 177.75 2hna n HIS 37 N 0.15 2.88 -3.95 0.29 1.44 -1.26 -1.07 115.22 113.70 2hna n HIS 37 Ca -0.15 -2.54 -0.27 0.00 -2.01 0.00 0.00 57.72 52.75 2hna n HIS 37 Cb 0.61 -0.84 -0.01 0.00 0.12 0.00 0.00 29.99 29.87 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 -0.83 -0.32 0.31 -1.39 0.00 -1.17 -4.37 105.19 97.43 2hna n GLY 38 Ca 0.52 0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.88 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 -1.82 0.00 0.00 1.61 0.13 -1.92 -1.31 132.00 128.69 2hna h PRO 39 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2hna h PRO 39 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2hna h PRO 39 CO 0.65 0.02 -0.07 1.28 -0.23 0.00 0.00 178.00 179.65 2hna n LEU 40 N -3.23 1.47 0.00 1.56 4.77 -1.26 -5.00 117.00 115.31 2hna n LEU 40 Ca -0.02 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 2hna n LEU 40 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2hna n LEU 40 CO 0.24 0.44 0.00 -0.11 -1.33 0.00 0.00 177.39 176.63 2hna n LEU 41 N -0.61 0.00 -3.23 2.23 0.00 -0.49 -4.60 117.00 110.30 2hna n LEU 41 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 56.04 2hna n LEU 41 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.87 2hna n LEU 41 CO 0.00 0.00 0.05 -1.83 0.00 0.00 0.00 177.39 175.61 2hna s GLU 42 N 0.00 0.80 0.15 1.96 -1.05 -1.26 -4.86 118.70 114.43 2hna s GLU 42 Ca 0.00 -0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 54.32 2hna s GLU 42 Cb 0.00 -0.03 0.02 0.00 -0.44 0.00 0.00 34.13 33.68 2hna s GLU 42 CO 0.00 -1.19 1.62 0.22 0.95 0.00 0.00 175.26 176.86 2hna h ASP 43 N 6.96 0.81 -3.74 0.83 3.58 -1.97 -3.42 116.42 119.47 2hna h ASP 43 Ca 0.05 -0.28 -0.49 0.00 0.42 0.00 0.00 57.03 56.73 2hna h ASP 43 Cb 1.16 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2hna h ASP 43 CO 0.11 0.88 0.14 -0.76 -2.88 0.00 0.00 179.24 176.74 2hna s LEU 44 N -9.48 3.82 0.00 2.28 1.43 -1.26 -5.09 118.68 110.39 2hna s LEU 44 Ca -0.13 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.04 2hna s LEU 44 Cb 0.11 -4.06 0.18 0.00 0.03 0.00 0.00 46.19 42.45 2hna s LEU 44 CO 0.81 -0.41 0.54 -0.81 0.23 0.00 0.00 176.35 176.72 2hna n PRO 45 N -1.28 -2.66 0.00 1.29 -0.04 -1.26 -4.85 135.00 126.20 2hna n PRO 45 Ca 0.03 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 2hna n PRO 45 Cb 0.54 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 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 -4.19 2.00 -3.46 0.55 0.00 -1.26 -4.62 120.51 109.52 2hna n ALA 46 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2hna n ALA 46 Cb 0.32 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 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 0.83 -0.54 0.00 0.00 0.01 -1.26 -3.99 113.70 108.75 2hna s SER 47 Ca 0.00 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2hna s SER 47 Cb 0.00 0.98 0.00 0.00 0.21 0.00 0.00 66.02 67.21 2hna s SER 47 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2hna n GLY 48 N 3.21 0.14 3.25 3.44 0.00 -1.11 -4.91 105.19 109.21 2hna n GLY 48 Ca -0.16 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.05 1.89 -0.04 -0.61 -1.09 -1.13 -2.99 121.20 116.18 2hna s ILE 49 Ca 0.00 -1.00 0.06 0.00 -2.23 0.00 0.00 60.65 57.48 2hna s ILE 49 Cb 0.00 -1.59 -0.01 0.00 -1.58 0.00 0.00 42.46 39.28 2hna s ILE 49 CO 0.00 0.53 -0.22 0.26 -1.23 0.00 0.00 174.94 174.28 2hna s TRP 50 N -0.30 2.11 -0.04 3.97 0.52 -0.29 -2.96 118.94 121.95 2hna s TRP 50 Ca 0.02 -0.53 0.03 0.00 0.02 0.00 0.00 56.10 55.63 2hna s TRP 50 Cb -0.11 -1.38 0.00 0.00 -1.15 0.00 0.00 33.47 30.83 2hna s TRP 50 CO 0.02 -0.13 -0.12 -0.51 0.02 0.00 0.00 176.95 176.23 2hna s LEU 51 N -0.27 1.77 -0.07 2.99 1.43 -0.76 -1.93 118.68 121.84 2hna s LEU 51 Ca 0.01 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2hna s LEU 51 Cb -0.11 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.40 2hna s LEU 51 CO 0.01 0.08 -0.11 -0.69 0.23 0.00 0.00 176.35 175.87 2hna s VAL 52 N 0.28 1.09 -0.86 -1.59 1.01 -0.93 -0.95 120.40 118.45 2hna s VAL 52 Ca -0.06 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2hna s VAL 52 Cb -0.11 -1.02 0.33 0.00 0.00 0.00 0.00 36.38 35.57 2hna s VAL 52 CO 0.02 0.35 1.52 -0.38 0.00 0.00 0.00 175.10 176.60 2hna n ILE 53 N 4.04 5.00 0.10 2.22 -0.00 0.02 -1.45 119.36 129.29 2hna n ILE 53 Ca -0.21 -5.82 -0.01 0.00 -0.00 0.00 0.00 62.75 56.71 2hna n ILE 53 Cb 0.51 -1.49 0.26 0.00 -0.00 0.00 0.00 39.64 38.92 2hna n ILE 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2hna h SER 54 N 3.75 0.25 -6.61 4.38 0.02 -1.79 -3.41 113.55 110.13 2hna h SER 54 Ca 0.39 -0.09 -0.26 0.00 -0.84 0.00 0.00 61.79 60.99 2hna h SER 54 Cb 0.38 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 2hna h SER 54 CO 1.05 0.58 -0.43 -1.20 -1.14 0.00 0.00 176.83 175.70 2hna n SER 55 N -4.08 -0.73 -0.33 3.07 7.64 -1.22 -4.69 113.62 113.27 2hna n SER 55 Ca -0.01 -0.56 0.28 0.00 1.01 0.00 0.00 58.87 59.59 2hna n SER 55 Cb 0.43 -0.68 0.53 0.00 -1.01 0.00 0.00 64.21 63.49 2hna n SER 55 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2hna h THR 56 N 0.25 0.15 0.00 0.44 1.35 -1.84 -0.33 112.91 112.94 2hna h THR 56 Ca -0.30 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2hna h THR 56 Cb 0.60 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 2hna h THR 56 CO 0.26 0.03 -0.36 0.00 -0.25 0.00 0.00 175.52 175.20 2hna n HIS 57 N -5.16 0.00 0.04 4.73 1.44 -1.26 -0.22 115.22 114.79 2hna n HIS 57 Ca 0.35 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 56.06 2hna n HIS 57 Cb 1.14 -0.03 -0.07 0.00 0.12 0.00 0.00 29.99 31.15 2hna n HIS 57 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2hna h GLY 58 N 0.00 0.00 -5.20 -1.39 0.00 -1.47 -3.39 103.07 91.62 2hna h GLY 58 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2hna h GLY 58 CO 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.80 2hna n ALA 59 N -2.38 1.35 -2.77 3.60 0.00 -0.23 -4.68 120.51 115.41 2hna n ALA 59 Ca -0.08 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.17 2hna n ALA 59 Cb 0.84 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.04 2.68 0.00 0.00 0.00 -1.13 -4.80 105.19 101.90 2hna n GLY 60 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -3.81 1.61 2.03 0.69 -4.67 116.55 112.39 2hna n ASP 61 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2hna n ASP 61 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2hna n ASP 61 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2hna s ILE 62 N -1.00 0.01 0.56 5.18 -4.36 -0.61 -4.73 121.20 116.25 2hna s ILE 62 Ca 0.00 -0.93 0.35 0.00 -0.26 0.00 0.00 60.65 59.82 2hna s ILE 62 Cb 0.00 -1.80 0.52 0.00 1.25 0.00 0.00 42.46 42.44 2hna s ILE 62 CO 0.00 -0.05 1.74 -0.65 0.24 0.00 0.00 174.94 176.22 2hna h PRO 63 N 2.14 0.00 0.00 0.37 0.11 -1.94 -0.59 132.00 132.09 2hna h PRO 63 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2hna h PRO 63 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2hna h PRO 63 CO 0.33 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.65 2hna n ASP 64 N -3.97 0.00 0.07 -2.05 2.03 -1.26 -4.24 116.55 107.13 2hna n ASP 64 Ca 0.24 -1.69 0.20 0.00 0.52 0.00 0.00 54.79 54.06 2hna n ASP 64 Cb 1.25 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 42.39 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 0.00 0.00 -3.67 1.67 -1.24 -1.34 -2.24 115.58 108.76 2hna h ASN 65 Ca 0.00 0.00 -0.73 0.00 0.71 0.00 0.00 56.30 56.28 2hna h ASN 65 Cb 0.00 0.00 -0.32 0.00 0.73 0.00 0.00 38.32 38.73 2hna h ASN 65 CO 0.00 0.00 -0.03 -1.48 -1.29 0.00 0.00 177.43 174.63 2hna s LEU 66 N -7.90 5.82 -0.03 0.34 2.34 -1.26 -3.45 118.68 114.55 2hna s LEU 66 Ca -0.05 -3.32 -0.21 0.00 0.06 0.00 0.00 54.13 50.62 2hna s LEU 66 Cb 0.17 -2.00 -0.14 0.00 -0.56 0.00 0.00 46.19 43.66 2hna s LEU 66 CO 0.61 -0.31 0.92 0.28 -1.06 0.00 0.00 176.35 176.79 2hna h SER 67 N 6.67 -0.36 -0.55 1.48 0.02 -1.75 0.13 113.55 119.20 2hna h SER 67 Ca 0.11 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2hna h SER 67 Cb 0.90 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 2hna h SER 67 CO 0.83 0.10 0.14 1.55 -1.14 0.00 0.00 176.83 178.30 2hna h PRO 68 N -0.95 0.93 0.03 3.45 0.13 -1.94 -2.37 132.00 131.27 2hna h PRO 68 Ca -0.04 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2hna h PRO 68 Cb 0.51 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2hna h PRO 68 CO 0.07 0.83 -0.01 0.74 -0.23 0.00 0.00 178.00 179.40 2hna h PHE 69 N 0.89 -0.03 -0.26 1.56 0.04 -1.96 -1.19 116.94 115.98 2hna h PHE 69 Ca 0.19 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 2hna h PHE 69 Cb 0.33 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 2hna h PHE 69 CO 0.02 0.37 0.06 -0.92 -0.60 0.00 0.00 178.31 177.25 2hna h TYR 70 N -0.44 0.44 -0.88 -0.55 3.20 -0.91 0.86 116.97 118.68 2hna h TYR 70 Ca -0.00 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2hna h TYR 70 Cb 0.42 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 2hna h TYR 70 CO 0.06 0.50 0.49 0.93 -1.64 0.00 0.00 178.16 178.51 2hna h GLU 71 N 0.25 1.22 -0.59 1.82 5.08 -1.46 -2.07 114.58 118.83 2hna h GLU 71 Ca 0.08 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2hna h GLU 71 Cb 0.28 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2hna h GLU 71 CO 0.00 0.88 0.01 0.00 -1.00 0.00 0.00 179.01 178.91 2hna h ALA 72 N 1.27 0.90 -0.06 3.43 0.00 -0.96 -2.02 119.26 121.81 2hna h ALA 72 Ca 0.31 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2hna h ALA 72 Cb 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2hna h ALA 72 CO -0.05 0.65 -0.19 -0.07 0.00 0.00 0.00 179.25 179.59 2hna h LEU 73 N 0.94 -0.57 -1.78 0.00 3.38 -0.21 -1.05 115.31 116.02 2hna h LEU 73 Ca 0.17 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2hna h LEU 73 Cb 0.52 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2hna h LEU 73 CO 0.03 -0.25 -0.09 1.56 0.09 0.00 0.00 178.44 179.78 2hna h GLN 74 N -0.27 0.00 -0.02 1.13 4.20 -1.29 0.13 115.11 118.99 2hna h GLN 74 Ca 0.08 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 2hna h GLN 74 Cb 0.38 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.17 2hna h GLN 74 CO -0.22 0.09 -0.63 1.49 -0.67 0.00 0.00 178.83 178.89 2hna h GLU 75 N 0.00 0.46 0.00 1.46 4.81 -0.50 -3.38 114.58 117.43 2hna h GLU 75 Ca -0.00 -0.47 -0.33 0.00 -0.13 0.00 0.00 59.36 58.43 2hna h GLU 75 Cb 0.42 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 2hna h GLU 75 CO 0.01 1.12 -2.28 0.00 -0.73 0.00 0.00 179.01 177.14 2hna n GLN 76 N -4.18 0.68 -3.73 1.92 10.64 -0.51 -5.03 117.38 117.18 2hna n GLN 76 Ca -0.10 0.01 -0.22 0.00 -1.83 0.00 0.00 57.00 54.86 2hna n GLN 76 Cb 0.68 -1.55 0.01 0.00 -0.86 0.00 0.00 30.24 28.52 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 -2.74 -0.66 -0.81 2.61 5.02 0.45 -4.86 118.16 117.16 2hna n LYS 77 Ca -0.29 -0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 55.64 2hna n LYS 77 Cb 1.10 -0.92 0.18 0.00 -0.02 0.00 0.00 35.03 35.37 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 -5.59 0.47 -1.33 1.97 0.04 -1.26 -4.79 135.00 124.50 2hna s PRO 78 Ca 0.19 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 2hna s PRO 78 Cb -0.11 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2hna s PRO 78 CO 0.51 -2.86 2.45 -3.47 0.04 0.00 0.00 177.00 173.66 2hna n ASP 79 N -4.34 5.73 0.00 6.66 2.03 -1.26 -4.24 116.55 121.13 2hna n ASP 79 Ca 0.07 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.77 2hna n ASP 79 Cb 0.54 -1.45 0.03 0.00 -0.72 0.00 0.00 41.12 39.52 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 4.99 0.00 0.00 -2.67 4.32 -1.24 -3.90 117.00 118.50 2hna n LEU 80 Ca 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.60 2hna n LEU 80 Cb 0.28 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.10 2hna n LEU 80 CO 0.87 0.00 0.44 -1.20 -1.22 0.00 0.00 177.39 176.28 2hna n SER 81 N -0.52 0.00 -0.56 -1.43 7.64 -1.24 -0.70 113.62 116.81 2hna n SER 81 Ca 0.01 0.33 0.05 0.00 1.01 0.00 0.00 58.87 60.27 2hna n SER 81 Cb 0.00 -0.34 0.13 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.34 2.20 -2.60 -0.43 0.00 -1.25 -4.99 120.51 112.10 2hna n ALA 82 Ca 0.00 -1.06 -0.16 0.00 0.00 0.00 0.00 53.44 52.22 2hna n ALA 82 Cb 0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.98 1.05 0.12 0.00 0.11 0.12 -2.77 120.40 118.05 2hna s VAL 83 Ca 0.20 -1.49 0.04 0.00 -2.93 0.00 0.00 61.98 57.80 2hna s VAL 83 Cb 0.11 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2hna s VAL 83 CO 0.14 -0.40 0.13 0.00 -3.33 0.00 0.00 175.10 171.64 2hna s ARG 84 N -2.29 2.95 0.09 1.54 1.70 -1.16 -2.60 118.95 119.17 2hna s ARG 84 Ca 0.02 -0.76 0.09 0.00 -0.47 0.00 0.00 55.73 54.61 2hna s ARG 84 Cb -0.06 -2.72 -0.03 0.00 -0.57 0.00 0.00 34.95 31.57 2hna s ARG 84 CO 0.01 0.53 -0.23 0.12 -1.08 0.00 0.00 175.30 174.65 2hna s PHE 85 N -1.59 2.02 -0.11 5.89 5.36 -0.26 -1.14 117.98 128.15 2hna s PHE 85 Ca 0.31 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 55.86 2hna s PHE 85 Cb -0.11 -1.14 0.04 0.00 -0.34 0.00 0.00 43.02 41.47 2hna s PHE 85 CO 0.23 0.20 0.01 0.20 -1.46 0.00 0.00 175.22 174.40 2hna s GLY 86 N -1.67 0.55 0.35 13.12 0.00 -0.81 -1.99 107.32 116.88 2hna s GLY 86 Ca 0.10 -0.31 -0.25 0.00 0.00 0.00 0.00 44.72 44.25 2hna s GLY 86 CO 0.04 1.22 0.99 0.00 0.00 0.00 0.00 173.10 175.34 2hna s ALA 87 N 1.93 3.16 -0.04 3.20 0.00 -1.26 -2.18 121.76 126.58 2hna s ALA 87 Ca 0.03 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 2hna s ALA 87 Cb -0.14 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2hna s ALA 87 CO -0.06 0.03 0.04 0.42 0.00 0.00 0.00 175.76 176.19 2hna s ILE 88 N -1.66 -0.02 0.00 0.00 1.01 -0.53 -0.63 121.20 119.37 2hna s ILE 88 Ca 0.53 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.49 2hna s ILE 88 Cb -0.19 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.10 2hna s ILE 88 CO 0.25 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2hna n GLY 89 N 4.82 0.91 3.65 6.18 0.00 0.40 -3.46 105.19 117.69 2hna n GLY 89 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2hna n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hna s ILE 90 N -2.58 3.02 0.26 -0.61 1.01 -1.26 -4.23 121.20 116.81 2hna s ILE 90 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.78 2hna s ILE 90 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2hna s ILE 90 CO 0.00 -0.01 1.58 1.23 0.00 0.00 0.00 174.94 177.74 2hna h GLY 91 N 11.74 0.00 -5.23 6.18 0.00 -1.91 -3.33 103.07 110.52 2hna h GLY 91 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 2hna h GLY 91 CO 0.95 0.00 0.93 1.44 0.00 0.00 0.00 176.54 179.85 2hna n SER 92 N -3.76 1.58 0.00 0.19 7.64 -1.26 -2.15 113.62 115.86 2hna n SER 92 Ca -0.01 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2hna n SER 92 Cb 0.65 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2hna n SER 92 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2hna n ARG 93 N 3.72 0.00 0.00 1.43 3.00 -1.17 -3.03 116.66 120.60 2hna n ARG 93 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2hna n ARG 93 Cb 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 32.46 32.19 2hna n ARG 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2hna n GLU 94 N -2.21 0.00 0.26 -0.14 -0.58 -1.14 -4.75 120.64 112.08 2hna n GLU 94 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 2hna n GLU 94 Cb 0.15 -0.21 0.56 0.00 -0.57 0.00 0.00 31.44 31.38 2hna n GLU 94 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2hna h TYR 95 N 0.00 0.00 -0.17 -0.32 0.05 -1.79 -3.34 116.97 111.40 2hna h TYR 95 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2hna h TYR 95 Cb 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 2hna h TYR 95 CO 0.00 0.06 0.12 -3.47 -1.05 0.00 0.00 178.16 173.82 2hna n ASP 96 N -3.16 3.95 0.00 3.88 -0.08 -1.05 -4.40 116.55 115.69 2hna n ASP 96 Ca 0.01 -2.39 0.00 0.00 -1.51 0.00 0.00 54.79 50.91 2hna n ASP 96 Cb 0.37 -0.73 0.01 0.00 2.34 0.00 0.00 41.12 43.11 2hna n ASP 96 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2hna n THR 97 N 0.50 0.00 -0.24 5.18 -2.24 -1.26 -1.82 114.28 114.41 2hna n THR 97 Ca 0.10 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2hna n THR 97 Cb 0.64 -0.21 0.14 0.00 -2.10 0.00 0.00 70.33 68.80 2hna n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2hna h PHE 98 N 0.00 1.06 0.00 4.78 3.57 -1.95 -3.34 116.94 121.06 2hna h PHE 98 Ca 0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2hna h PHE 98 Cb 0.00 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 2hna h PHE 98 CO 0.00 0.79 -0.46 0.00 -2.23 0.00 0.00 178.31 176.42 2hna n GLY 100 N 0.01 0.23 0.99 0.00 0.00 -1.01 -4.89 105.19 100.52 2hna n GLY 100 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 101 N -0.96 3.00 0.04 4.61 0.00 -0.75 -4.71 120.51 121.75 2hna n ALA 101 Ca -0.20 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2hna n ALA 101 Cb 0.63 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2hna n ALA 101 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2hna n ILE 102 N 0.16 0.00 -1.93 0.00 -5.35 -1.26 -1.74 119.36 109.23 2hna n ILE 102 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 2hna n ILE 102 Cb 0.59 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 2hna n ILE 102 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2hna n ASP 103 N 0.14 0.00 -0.33 7.28 2.03 -1.17 -3.06 116.55 121.45 2hna n ASP 103 Ca 0.00 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2hna n ASP 103 Cb 0.01 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.54 2hna n ASP 103 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2hna h LYS 104 N 0.00 1.02 0.50 -0.67 1.57 -1.57 0.16 116.57 117.58 2hna h LYS 104 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2hna h LYS 104 Cb 0.61 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2hna h LYS 104 CO 0.00 0.68 -0.24 1.25 -0.57 0.00 0.00 179.45 180.57 2hna h LEU 105 N 1.05 -0.57 -1.23 2.94 7.12 -1.87 -3.29 115.31 119.46 2hna h LEU 105 Ca 0.38 -0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.36 2hna h LEU 105 Cb 0.12 0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.35 2hna h LEU 105 CO -0.16 -0.20 0.54 -0.33 -0.13 0.00 0.00 178.44 178.16 2hna h GLU 106 N -1.00 0.95 -0.59 1.25 5.08 -1.78 -2.81 114.58 115.68 2hna h GLU 106 Ca -0.07 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2hna h GLU 106 Cb 0.60 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 2hna h GLU 106 CO 0.11 0.63 0.15 0.00 -1.00 0.00 0.00 179.01 178.91 2hna h ALA 107 N 1.53 0.71 -0.32 3.43 0.00 -0.77 -0.26 119.26 123.59 2hna h ALA 107 Ca 0.33 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 2hna h ALA 107 Cb 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2hna h ALA 107 CO -0.10 -0.28 -0.01 0.93 0.00 0.00 0.00 179.25 179.79 2hna h GLU 108 N 0.30 0.49 -0.34 0.00 4.39 -1.58 0.73 114.58 118.56 2hna h GLU 108 Ca 0.30 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 2hna h GLU 108 Cb 0.43 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2hna h GLU 108 CO -0.36 0.53 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.55 2hna h LEU 109 N 0.47 0.94 -0.64 1.33 3.38 -1.17 0.51 115.31 120.14 2hna h LEU 109 Ca 0.10 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 2hna h LEU 109 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2hna h LEU 109 CO 0.01 1.23 0.20 0.11 0.09 0.00 0.00 178.44 180.09 2hna h LYS 110 N 0.67 0.99 -0.16 1.13 1.57 -0.74 -0.74 116.57 119.29 2hna h LYS 110 Ca 0.05 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 2hna h LYS 110 Cb 0.99 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2hna h LYS 110 CO 0.10 0.87 -0.44 -0.97 -0.57 0.00 0.00 179.45 178.43 2hna h ASN 111 N 0.92 0.42 -0.42 0.86 -1.24 -0.79 -2.93 115.58 112.40 2hna h ASN 111 Ca 0.21 -0.19 -0.10 0.00 0.71 0.00 0.00 56.30 56.93 2hna h ASN 111 Cb 0.29 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 2hna h ASN 111 CO -0.01 0.81 -0.11 0.28 -1.29 0.00 0.00 177.43 177.11 2hna h SER 112 N 0.32 0.82 0.00 1.15 0.02 -0.52 -3.48 113.55 111.86 2hna h SER 112 Ca 0.02 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2hna h SER 112 Cb 0.91 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2hna h SER 112 CO 0.08 1.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.38 2hna n GLY 113 N -0.18 0.22 3.77 -3.77 0.00 -0.36 -3.60 105.19 101.27 2hna n GLY 113 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.48 -0.39 4.61 0.00 -0.75 -3.62 121.76 125.09 2hna s ALA 114 Ca 0.00 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 2hna s ALA 114 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2hna s ALA 114 CO 0.00 -0.62 0.73 -1.59 0.00 0.00 0.00 175.76 174.28 2hna s LYS 115 N -1.80 3.59 0.14 0.00 -2.85 -1.07 -4.17 119.74 113.59 2hna s LYS 115 Ca 0.49 0.06 -0.31 0.00 -1.00 0.00 0.00 55.97 55.21 2hna s LYS 115 Cb -0.39 -3.86 -0.10 0.00 -2.06 0.00 0.00 37.83 31.43 2hna s LYS 115 CO 0.52 -0.90 1.60 -1.14 0.10 0.00 0.00 175.35 175.53 2hna s GLN 116 N 3.01 4.21 0.08 1.78 0.74 -1.26 -1.10 119.66 127.11 2hna s GLN 116 Ca 0.28 2.37 0.03 0.00 0.05 0.00 0.00 55.36 58.09 2hna s GLN 116 Cb -0.13 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2hna s GLN 116 CO 0.18 -0.65 0.06 0.99 -0.55 0.00 0.00 175.29 175.32 2hna s THR 117 N 1.55 4.39 0.00 -0.34 2.01 -0.84 -4.92 115.64 117.49 2hna s THR 117 Ca 0.71 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2hna s THR 117 Cb -0.43 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 68.97 2hna s THR 117 CO 0.32 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2hna n GLY 118 N 0.49 4.21 3.73 4.40 0.00 -1.26 -4.75 105.19 112.02 2hna n GLY 118 Ca -0.09 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 2hna n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hna s GLU 119 N 0.00 1.66 -0.41 1.61 -1.05 -1.26 -5.13 118.70 114.11 2hna s GLU 119 Ca 0.00 -0.99 -0.43 0.00 -0.15 0.00 0.00 54.97 53.40 2hna s GLU 119 Cb 0.00 0.57 -0.17 0.00 -0.44 0.00 0.00 34.13 34.09 2hna s GLU 119 CO 0.00 -0.74 1.86 2.41 0.95 0.00 0.00 175.26 179.75 2hna n THR 120 N -0.42 0.12 -1.33 1.83 -1.04 -1.26 -4.82 114.28 107.35 2hna n THR 120 Ca -0.05 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 2hna n THR 120 Cb 0.60 -0.88 0.16 0.00 -1.82 0.00 0.00 70.33 68.39 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 4.54 1.80 -0.01 -4.42 0.20 0.19 -4.89 118.68 116.09 2hna s LEU 121 Ca 1.08 1.10 0.02 0.00 0.69 0.00 0.00 54.13 57.01 2hna s LEU 121 Cb -1.28 -3.36 -0.00 0.00 -0.43 0.00 0.00 46.19 41.12 2hna s LEU 121 CO 0.69 -2.86 -0.05 -0.54 -0.29 0.00 0.00 176.35 173.29 2hna s LYS 122 N -5.10 0.44 0.06 1.98 3.01 -1.26 -0.46 119.74 118.42 2hna s LYS 122 Ca 0.65 -0.17 -0.00 0.00 -1.01 0.00 0.00 55.97 55.44 2hna s LYS 122 Cb -0.17 -0.43 -0.04 0.00 -1.01 0.00 0.00 37.83 36.18 2hna s LYS 122 CO 0.56 0.09 -0.04 0.96 0.51 0.00 0.00 175.35 177.43 2hna s ILE 123 N -0.01 0.36 -0.13 2.17 -5.25 -0.94 -4.22 121.20 113.19 2hna s ILE 123 Ca 0.01 -1.79 -0.05 0.00 -0.99 0.00 0.00 60.65 57.82 2hna s ILE 123 Cb -0.03 -1.50 0.06 0.00 2.95 0.00 0.00 42.46 43.94 2hna s ILE 123 CO -0.00 -0.93 0.27 0.21 -1.79 0.00 0.00 174.94 172.70 2hna s ASN 124 N -2.87 0.19 0.18 4.36 3.84 -1.14 -4.48 114.94 115.02 2hna s ASN 124 Ca 0.07 0.60 -0.21 0.00 0.21 0.00 0.00 52.86 53.53 2hna s ASN 124 Cb 0.06 0.65 0.05 0.00 -0.55 0.00 0.00 41.25 41.47 2hna s ASN 124 CO -0.08 -0.22 0.59 -0.51 -2.79 0.00 0.00 177.10 174.08 2hna s ILE 125 N 2.16 0.01 0.00 -5.21 1.10 -1.26 -4.96 121.20 113.04 2hna s ILE 125 Ca -0.01 -0.32 0.00 0.00 -0.51 0.00 0.00 60.65 59.81 2hna s ILE 125 Cb -0.12 -1.25 0.00 0.00 0.15 0.00 0.00 42.46 41.25 2hna s ILE 125 CO -0.09 -0.05 0.00 -0.11 -2.11 0.00 0.00 174.94 172.58 2hna n LEU 126 N -0.37 0.05 -4.00 8.50 7.94 -1.26 -4.71 117.00 123.15 2hna n LEU 126 Ca -0.14 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.67 2hna n LEU 126 Cb 0.64 -0.44 -0.05 0.00 0.53 0.00 0.00 43.42 44.09 2hna n LEU 126 CO 0.14 -0.02 0.19 -0.62 -1.11 0.00 0.00 177.39 175.96 2hna s ASP 127 N -2.41 -0.03 0.94 1.96 2.15 -1.26 -5.07 116.67 112.94 2hna s ASP 127 Ca 0.00 -0.96 -0.10 0.00 0.43 0.00 0.00 52.55 51.91 2hna s ASP 127 Cb 0.00 0.60 0.15 0.00 -0.30 0.00 0.00 42.92 43.37 2hna s ASP 127 CO 0.00 -1.16 1.07 1.57 -0.17 0.00 0.00 175.17 176.48 2hna n HIS 128 N -0.40 0.54 -2.47 -5.34 -0.00 -1.26 -4.97 115.22 101.31 2hna n HIS 128 Ca -0.02 0.35 -0.40 0.00 -0.00 0.00 0.00 57.72 57.66 2hna n HIS 128 Cb 0.62 -1.96 -0.04 0.00 -0.00 0.00 0.00 29.99 28.60 2hna n HIS 128 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2hna s ASP 129 N -2.57 7.21 0.20 0.26 -4.77 -1.26 -4.83 116.67 110.91 2hna s ASP 129 Ca 0.66 2.26 0.00 0.00 -3.30 0.00 0.00 52.55 52.17 2hna s ASP 129 Cb -0.23 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 38.98 2hna s ASP 129 CO 0.59 -0.18 0.00 -0.38 0.70 0.00 0.00 175.17 175.90 2hna n ILE 130 N 1.07 0.00 0.00 2.11 2.08 -1.26 -5.10 119.36 118.26 2hna n ILE 130 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2hna n ILE 130 Cb 0.45 -0.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 2hna n ILE 130 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2hna n PRO 131 N -3.07 0.62 -3.47 0.38 -0.04 -1.26 -5.05 135.00 123.12 2hna n PRO 131 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2hna n PRO 131 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2hna n PRO 131 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hna n GLU 132 N 0.00 0.48 0.00 0.54 1.02 -1.26 -5.04 120.64 116.37 2hna n GLU 132 Ca 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.92 2hna n GLU 132 Cb 0.00 2.05 0.00 0.00 -0.02 0.00 0.00 31.44 33.47 2hna n GLU 132 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hna n ASP 133 N -1.81 0.00 -1.34 1.62 2.03 -1.26 -2.20 116.55 113.58 2hna n ASP 133 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2hna n ASP 133 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 2hna n ASP 133 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2hna n PRO 134 N -0.96 0.98 0.00 -0.67 -0.04 -1.26 -4.64 135.00 128.42 2hna n PRO 134 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2hna n PRO 134 Cb 0.00 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2hna n PRO 134 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hna n ALA 135 N 1.18 2.16 0.05 0.55 0.00 -1.26 -4.21 120.51 118.99 2hna n ALA 135 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2hna n ALA 135 Cb 0.49 -1.00 0.41 0.00 0.00 0.00 0.00 19.45 19.35 2hna n ALA 135 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hna h GLU 136 N 0.50 0.41 -0.23 0.00 4.81 -1.91 -1.27 114.58 116.89 2hna h GLU 136 Ca 0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2hna h GLU 136 Cb 0.60 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2hna h GLU 136 CO 0.00 0.37 -0.19 0.93 -0.73 0.00 0.00 179.01 179.39 2hna h GLU 137 N 0.41 0.40 -0.42 1.92 5.08 -1.99 0.09 114.58 120.07 2hna h GLU 137 Ca 0.10 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2hna h GLU 137 Cb 0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2hna h GLU 137 CO -0.01 0.58 0.15 2.35 -1.00 0.00 0.00 179.01 181.09 2hna h TRP 138 N 0.37 0.66 0.21 4.33 2.91 -1.59 -0.22 115.95 122.61 2hna h TRP 138 Ca 0.06 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 2hna h TRP 138 Cb 0.55 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 2hna h TRP 138 CO 0.01 0.59 -0.14 1.25 -1.03 0.00 0.00 178.44 179.13 2hna h LEU 139 N 0.53 -0.35 -0.62 0.65 5.85 -0.90 0.17 115.31 120.64 2hna h LEU 139 Ca 0.14 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.95 2hna h LEU 139 Cb 0.23 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 2hna h LEU 139 CO -0.01 -0.22 0.30 1.23 -0.34 0.00 0.00 178.44 179.40 2hna h GLY 140 N -0.35 0.90 0.92 3.75 0.00 -0.90 0.17 103.07 107.57 2hna h GLY 140 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2hna h GLY 140 CO 0.01 0.07 -0.22 0.23 0.00 0.00 0.00 176.54 176.63 2hna h SER 141 N 0.54 -0.53 -0.96 0.19 0.87 -0.78 -0.99 113.55 111.89 2hna h SER 141 Ca 0.30 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.89 2hna h SER 141 Cb 0.27 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 2hna h SER 141 CO -0.23 -0.32 0.62 -0.25 -0.53 0.00 0.00 176.83 176.12 2hna h TRP 142 N -0.71 1.15 0.42 2.24 7.01 -0.55 -1.12 115.95 124.38 2hna h TRP 142 Ca -0.06 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2hna h TRP 142 Cb 0.52 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2hna h TRP 142 CO -0.02 0.62 -0.27 0.28 -2.79 0.00 0.00 178.44 176.25 2hna h VAL 143 N 1.15 0.43 0.00 2.65 2.07 -0.57 -0.27 116.25 121.71 2hna h VAL 143 Ca 0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.93 2hna h VAL 143 Cb 0.12 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2hna h VAL 143 CO -0.16 0.00 0.00 -0.55 0.02 0.00 0.00 177.57 176.88 2hna h ASN 144 N -0.67 0.00 0.07 0.57 7.08 -0.40 -0.06 115.58 122.18 2hna h ASN 144 Ca -0.04 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.05 2hna h ASN 144 Cb 0.55 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.81 2hna h ASN 144 CO 0.03 0.00 -0.56 -0.07 -2.08 0.00 0.00 177.43 174.75 2hna h LEU 145 N 0.00 0.36 -0.59 6.14 4.07 -0.91 -3.36 115.31 121.02 2hna h LEU 145 Ca 0.00 -0.90 -0.14 0.00 0.08 0.00 0.00 57.88 56.91 2hna h LEU 145 Cb 0.34 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2hna h LEU 145 CO 0.00 1.24 -0.41 0.17 -1.08 0.00 0.00 178.44 178.36 2hna h LEU 146 N -0.45 0.70 0.00 1.67 8.10 -0.20 -3.51 115.31 121.61 2hna h LEU 146 Ca -0.09 -0.32 0.00 0.00 0.11 0.00 0.00 57.88 57.58 2hna h LEU 146 Cb 1.39 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.41 2hna h LEU 146 CO 0.11 1.02 0.00 0.29 -4.11 0.00 0.00 178.44 175.75