#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 -0.79 -0.13 -5.12 0.00 -1.26 -4.63 121.76 109.84 2hna s ALA 2 Ca 0.00 -0.27 0.19 0.00 0.00 0.00 0.00 51.96 51.88 2hna s ALA 2 Cb 0.00 0.80 -0.20 0.00 0.00 0.00 0.00 23.12 23.72 2hna s ALA 2 CO 0.00 -0.73 0.59 -3.47 0.00 0.00 0.00 175.76 172.15 2hna n ASP 3 N -0.28 0.42 -3.88 0.00 2.03 0.41 -4.91 116.55 110.34 2hna n ASP 3 Ca -0.12 0.18 -0.23 0.00 0.52 0.00 0.00 54.79 55.14 2hna n ASP 3 Cb 0.63 0.91 -0.17 0.00 -0.72 0.00 0.00 41.12 41.77 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 -3.06 0.72 -0.11 5.18 1.01 -0.96 -3.11 121.20 120.88 2hna s ILE 4 Ca -0.06 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 2hna s ILE 4 Cb 0.10 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 2hna s ILE 4 CO 0.84 0.29 0.70 0.28 0.00 0.00 0.00 174.94 177.06 2hna s THR 5 N 1.37 5.02 -0.49 2.92 -1.32 -1.08 -0.86 115.64 121.20 2hna s THR 5 Ca -0.03 1.42 -0.15 0.00 -1.21 0.00 0.00 61.69 61.72 2hna s THR 5 Cb -0.14 -4.03 0.09 0.00 -1.51 0.00 0.00 72.50 66.91 2hna s THR 5 CO -0.03 0.19 0.41 -0.76 -2.21 0.00 0.00 174.62 172.22 2hna s LEU 6 N 1.21 5.74 -1.24 9.08 1.02 -0.36 -1.21 118.68 132.92 2hna s LEU 6 Ca 0.36 -1.51 -0.11 0.00 0.02 0.00 0.00 54.13 52.89 2hna s LEU 6 Cb -0.17 -2.16 0.17 0.00 0.02 0.00 0.00 46.19 44.05 2hna s LEU 6 CO 0.16 -0.70 1.67 -0.38 0.02 0.00 0.00 176.35 177.12 2hna n ILE 7 N 5.17 4.34 -2.69 -0.59 5.41 0.28 -2.54 119.36 128.74 2hna n ILE 7 Ca -0.12 -4.59 -0.40 0.00 1.00 0.00 0.00 62.75 58.63 2hna n ILE 7 Cb 0.42 -2.40 -0.05 0.00 -0.71 0.00 0.00 39.64 36.90 2hna n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2hna s SER 8 N 1.63 7.54 0.00 4.38 0.01 -0.82 -2.96 113.70 123.49 2hna s SER 8 Ca 0.41 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.65 2hna s SER 8 Cb 0.04 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2hna s SER 8 CO 0.01 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2hna n GLY 9 N 1.60 4.58 0.10 3.44 0.00 0.52 -3.73 105.19 111.69 2hna n GLY 9 Ca -0.01 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 0.56 0.00 1.61 7.64 -0.71 -4.25 113.62 118.47 2hna n SER 10 Ca 0.00 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2hna n SER 10 Cb 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2hna n SER 10 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2hna n THR 11 N -1.13 0.00 0.56 0.44 5.66 -1.25 -2.83 114.28 115.73 2hna n THR 11 Ca 0.10 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.11 2hna n THR 11 Cb 0.32 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.15 2hna n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hna n LEU 12 N 0.00 0.00 0.00 1.09 -0.00 -1.26 -4.77 117.00 112.06 2hna n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2hna n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2hna n LEU 12 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2hna n GLY 13 N -0.26 -1.30 0.00 1.47 0.00 -1.26 -4.84 105.19 99.00 2hna n GLY 13 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.08 0.66 0.00 -0.02 0.00 -1.26 -1.74 105.19 102.75 2hna n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.08 4.61 0.00 -1.26 -4.60 120.51 119.18 2hna n ALA 15 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2hna n ALA 15 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 0.36 -0.76 0.00 3.07 -1.90 -0.87 114.58 114.47 2hna h GLU 16 Ca 0.00 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.87 2hna h GLU 16 Cb 0.38 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 2hna h GLU 16 CO 0.00 0.24 0.48 -0.92 -1.40 0.00 0.00 179.01 177.41 2hna h TYR 17 N 0.37 0.90 0.00 4.33 3.20 -2.00 -0.43 116.97 123.34 2hna h TYR 17 Ca 0.28 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.95 2hna h TYR 17 Cb 0.61 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2hna h TYR 17 CO -0.00 0.51 -1.40 0.28 -1.64 0.00 0.00 178.16 175.91 2hna h VAL 18 N 0.94 0.86 -0.83 1.81 2.07 -1.75 -3.32 116.25 116.02 2hna h VAL 18 Ca 0.31 -2.53 0.03 0.00 0.82 0.00 0.00 66.70 65.33 2hna h VAL 18 Cb 0.02 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 2hna h VAL 18 CO -0.11 0.49 0.55 0.00 0.02 0.00 0.00 177.57 178.51 2hna h ALA 19 N 1.18 1.49 -0.80 1.67 0.00 -0.75 0.24 119.26 122.29 2hna h ALA 19 Ca -0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2hna h ALA 19 Cb 1.78 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2hna h ALA 19 CO 0.07 0.43 0.53 1.49 0.00 0.00 0.00 179.25 181.77 2hna h GLU 20 N 1.03 1.05 -0.32 0.00 4.81 -1.18 0.87 114.58 120.85 2hna h GLU 20 Ca 0.33 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 2hna h GLU 20 Cb 0.03 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2hna h GLU 20 CO -0.10 0.70 -0.18 1.25 -0.73 0.00 0.00 179.01 179.96 2hna h HIS 21 N 1.08 0.79 -0.07 0.92 2.76 -1.45 -1.65 115.15 117.54 2hna h HIS 21 Ca 0.29 -0.20 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2hna h HIS 21 Cb -0.12 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.64 2hna h HIS 21 CO -0.02 0.91 -0.05 -0.07 -1.30 0.00 0.00 177.93 177.40 2hna h LEU 22 N 0.44 -0.16 -0.49 0.26 3.38 -0.71 -1.33 115.31 116.69 2hna h LEU 22 Ca 0.07 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.16 2hna h LEU 22 Cb 0.71 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2hna h LEU 22 CO 0.05 -0.07 0.06 0.00 0.09 0.00 0.00 178.44 178.56 2hna h ALA 23 N 1.00 0.51 -0.02 1.53 0.00 -0.81 0.44 119.26 121.91 2hna h ALA 23 Ca 0.05 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2hna h ALA 23 Cb 0.13 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2hna h ALA 23 CO -0.11 -0.35 -0.20 1.49 0.00 0.00 0.00 179.25 180.09 2hna h GLU 24 N 0.18 -0.30 -0.93 0.00 4.57 -0.72 0.01 114.58 117.40 2hna h GLU 24 Ca 0.25 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2hna h GLU 24 Cb 0.35 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.96 2hna h GLU 24 CO -0.36 -0.20 0.60 0.87 -1.18 0.00 0.00 179.01 178.74 2hna h LYS 25 N -0.31 1.24 -0.22 1.92 1.79 -0.85 -1.26 116.57 118.88 2hna h LYS 25 Ca 0.07 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 2hna h LYS 25 Cb 0.39 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2hna h LYS 25 CO -0.20 0.84 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.87 2hna h LEU 26 N 1.27 0.32 -0.47 2.94 -0.00 -0.39 -0.02 115.31 118.96 2hna h LEU 26 Ca 0.34 -0.06 -0.14 0.00 -0.00 0.00 0.00 57.88 58.02 2hna h LEU 26 Cb -0.11 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 2hna h LEU 26 CO -0.07 0.43 -0.25 -0.33 -0.00 0.00 0.00 178.44 178.22 2hna h GLU 27 N 0.33 0.99 0.00 1.13 5.08 -0.10 -2.49 114.58 119.52 2hna h GLU 27 Ca 0.07 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 2hna h GLU 27 Cb 0.33 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2hna h GLU 27 CO 0.02 1.12 -0.13 0.93 -1.00 0.00 0.00 179.01 179.94 2hna h GLU 28 N 0.85 0.00 0.00 2.33 5.08 -0.70 -1.93 114.58 120.20 2hna h GLU 28 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2hna h GLU 28 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2hna h GLU 28 CO 0.07 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 2hna h ALA 29 N 1.87 1.00 0.00 3.43 0.00 -0.56 -3.46 119.26 121.53 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2hna h ALA 29 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2hna n GLY 30 N 0.04 1.43 0.89 0.00 0.00 -0.73 -5.08 105.19 101.75 2hna n GLY 30 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.25 -4.36 1.61 3.72 -1.14 -5.04 117.46 112.50 2hna n PHE 31 Ca 0.00 -0.63 -0.25 0.00 -0.05 0.00 0.00 57.45 56.53 2hna n PHE 31 Cb 0.00 -0.07 -0.12 0.00 -0.94 0.00 0.00 39.48 38.35 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 -1.53 2.03 0.03 4.37 -4.23 -1.26 -4.28 115.64 110.77 2hna s THR 32 Ca 0.01 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2hna s THR 32 Cb 0.00 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 2hna s THR 32 CO 0.01 -0.17 0.02 0.42 -0.54 0.00 0.00 174.62 174.36 2hna s THR 33 N -1.69 0.15 -0.52 3.99 -4.23 -1.26 -0.45 115.64 111.64 2hna s THR 33 Ca 0.16 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2hna s THR 33 Cb -0.08 -0.85 0.13 0.00 1.34 0.00 0.00 72.50 73.05 2hna s THR 33 CO 0.07 -0.67 0.27 -0.70 -0.54 0.00 0.00 174.62 173.05 2hna s GLU 34 N -2.56 2.05 -0.12 3.99 2.56 -0.04 -4.78 118.70 119.80 2hna s GLU 34 Ca -0.06 -2.47 -0.29 0.00 0.00 0.00 0.00 54.97 52.15 2hna s GLU 34 Cb -0.02 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 2hna s GLU 34 CO -0.05 -1.10 1.58 0.99 -0.56 0.00 0.00 175.26 176.12 2hna s THR 35 N -0.02 3.74 0.17 -1.70 2.01 -1.26 -1.22 115.64 117.35 2hna s THR 35 Ca 0.16 0.88 -0.07 0.00 0.31 0.00 0.00 61.69 62.96 2hna s THR 35 Cb -0.24 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2hna s THR 35 CO -0.02 -0.14 0.25 -0.76 -0.69 0.00 0.00 174.62 173.26 2hna s LEU 36 N 4.31 1.06 -0.46 4.42 1.43 -1.05 -4.98 118.68 123.41 2hna s LEU 36 Ca 0.70 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2hna s LEU 36 Cb -0.29 1.03 0.63 0.00 0.03 0.00 0.00 46.19 47.59 2hna s LEU 36 CO 0.27 -0.88 1.88 0.00 0.23 0.00 0.00 176.35 177.85 2hna n HIS 37 N -0.21 2.90 -3.74 0.29 1.44 -1.26 -1.94 115.22 112.69 2hna n HIS 37 Ca -0.06 -1.96 -0.23 0.00 -2.01 0.00 0.00 57.72 53.46 2hna n HIS 37 Cb 0.63 -0.96 0.02 0.00 0.12 0.00 0.00 29.99 29.81 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 -1.12 -0.33 0.30 -1.39 0.00 -1.24 -4.53 105.19 96.88 2hna n GLY 38 Ca 0.58 0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.94 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 -1.85 0.00 0.00 1.61 0.13 -1.92 -2.01 132.00 127.96 2hna h PRO 39 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2hna h PRO 39 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2hna h PRO 39 CO 0.57 0.03 -0.08 1.28 -0.23 0.00 0.00 178.00 179.56 2hna n LEU 40 N -3.25 1.57 0.00 1.56 4.77 -1.26 -5.00 117.00 115.40 2hna n LEU 40 Ca -0.02 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 2hna n LEU 40 Cb 0.18 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hna n LEU 40 CO 0.25 0.49 0.00 -0.11 -1.33 0.00 0.00 177.39 176.68 2hna n LEU 41 N -0.75 0.00 -2.86 2.23 7.94 -0.76 -4.59 117.00 118.21 2hna n LEU 41 Ca 0.07 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.94 2hna n LEU 41 Cb 0.52 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.48 2hna n LEU 41 CO 0.00 0.00 0.14 -1.83 -1.11 0.00 0.00 177.39 174.59 2hna s GLU 42 N 0.00 0.96 0.12 1.96 -1.05 -1.26 -4.95 118.70 114.47 2hna s GLU 42 Ca 0.00 -0.82 -0.15 0.00 -0.15 0.00 0.00 54.97 53.84 2hna s GLU 42 Cb 0.00 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.64 2hna s GLU 42 CO 0.00 -1.22 1.55 0.22 0.95 0.00 0.00 175.26 176.76 2hna h ASP 43 N 5.41 0.64 -3.74 0.83 3.58 -1.96 -3.42 116.42 117.77 2hna h ASP 43 Ca 0.05 -0.32 -0.49 0.00 0.42 0.00 0.00 57.03 56.70 2hna h ASP 43 Cb 1.13 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 2hna h ASP 43 CO 0.02 0.80 0.11 -0.76 -2.88 0.00 0.00 179.24 176.54 2hna s LEU 44 N -9.41 3.99 0.00 2.28 1.43 -1.26 -5.08 118.68 110.63 2hna s LEU 44 Ca -0.13 1.25 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 2hna s LEU 44 Cb 0.09 -4.08 0.27 0.00 0.03 0.00 0.00 46.19 42.50 2hna s LEU 44 CO 0.79 -0.27 0.89 -0.81 0.23 0.00 0.00 176.35 177.18 2hna n PRO 45 N -0.65 -3.08 -0.04 1.29 -0.04 -1.26 -4.87 135.00 126.35 2hna n PRO 45 Ca 0.03 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2hna n PRO 45 Cb 0.53 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.71 2.12 -3.49 0.55 0.00 -1.26 -4.46 120.51 109.25 2hna n ALA 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2hna n ALA 46 Cb 0.50 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 1.17 -1.21 0.00 0.00 0.01 -1.26 -4.01 113.70 108.41 2hna s SER 47 Ca 0.00 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2hna s SER 47 Cb 0.00 2.25 0.00 0.00 0.21 0.00 0.00 66.02 68.48 2hna s SER 47 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2hna n GLY 48 N 5.44 0.24 3.19 3.44 0.00 -1.25 -4.98 105.19 111.28 2hna n GLY 48 Ca -0.09 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 1.68 0.11 -0.61 -1.09 -1.18 -3.65 121.20 112.45 2hna s ILE 49 Ca 0.00 -0.86 0.10 0.00 -2.23 0.00 0.00 60.65 57.65 2hna s ILE 49 Cb 0.00 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 2hna s ILE 49 CO 0.00 0.47 -0.23 0.26 -1.23 0.00 0.00 174.94 174.21 2hna s TRP 50 N -0.13 2.41 0.01 3.97 0.52 -0.39 -2.64 118.94 122.70 2hna s TRP 50 Ca -0.02 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 55.80 2hna s TRP 50 Cb -0.12 -1.32 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2hna s TRP 50 CO 0.02 0.32 -0.08 -0.51 0.02 0.00 0.00 176.95 176.72 2hna s LEU 51 N -1.92 2.09 -0.05 2.99 1.43 -0.35 -2.25 118.68 120.62 2hna s LEU 51 Ca 0.15 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2hna s LEU 51 Cb -0.10 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.80 2hna s LEU 51 CO 0.07 0.01 -0.07 0.54 0.23 0.00 0.00 176.35 177.13 2hna s VAL 52 N -0.51 0.71 -0.22 -1.59 0.11 -0.65 -0.56 120.40 117.68 2hna s VAL 52 Ca -0.00 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2hna s VAL 52 Cb -0.05 -0.69 0.06 0.00 -1.53 0.00 0.00 36.38 34.17 2hna s VAL 52 CO 0.00 0.26 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.36 2hna s ILE 53 N 0.74 1.33 0.17 7.04 1.09 -1.15 -0.97 121.20 129.45 2hna s ILE 53 Ca -0.12 -1.07 -0.01 0.00 -1.10 0.00 0.00 60.65 58.36 2hna s ILE 53 Cb -0.14 -1.63 0.01 0.00 -1.06 0.00 0.00 42.46 39.64 2hna s ILE 53 CO 0.01 -0.10 0.25 -1.20 -0.10 0.00 0.00 174.94 173.80 2hna n SER 54 N 4.75 -0.70 -3.69 3.58 7.64 -0.59 -0.35 113.62 124.27 2hna n SER 54 Ca -0.12 -1.91 -0.11 0.00 1.01 0.00 0.00 58.87 57.74 2hna n SER 54 Cb 0.45 1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 64.84 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 -2.05 -0.61 0.16 6.43 0.01 -1.26 -3.20 113.70 113.18 2hna s SER 55 Ca 0.14 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2hna s SER 55 Cb -0.01 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.25 2hna s SER 55 CO 0.10 -0.20 0.00 0.35 0.41 0.00 0.00 173.24 173.90 2hna n THR 56 N 3.58 0.00 -2.33 1.44 -2.24 -1.26 -4.81 114.28 108.66 2hna n THR 56 Ca -0.18 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2hna n THR 56 Cb 0.56 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2hna n THR 56 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2hna n HIS 57 N -3.01 -1.29 -1.61 4.78 -0.00 -1.26 -0.84 115.22 111.99 2hna n HIS 57 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2hna n HIS 57 Cb 0.00 -2.79 -0.05 0.00 -0.00 0.00 0.00 29.99 27.15 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hna n GLY 58 N -0.76 0.99 2.73 1.57 0.00 -1.26 -4.61 105.19 103.85 2hna n GLY 58 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 0.08 2.67 -0.98 4.61 0.00 -0.02 -4.74 120.51 122.13 2hna n ALA 59 Ca -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 53.44 51.54 2hna n ALA 59 Cb 0.50 -0.86 0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.08 -2.75 0.32 0.00 0.00 -0.81 -4.90 105.19 95.97 2hna n GLY 60 Ca -0.07 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.67 2hna n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2hna h ASP 61 N -1.65 0.00 -5.04 1.61 3.58 -1.91 -3.41 116.42 109.60 2hna h ASP 61 Ca -0.11 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 2hna h ASP 61 Cb 0.35 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.23 2hna h ASP 61 CO 0.07 0.00 -0.29 -0.51 -2.88 0.00 0.00 179.24 175.63 2hna s ILE 62 N -4.84 0.08 -1.29 2.25 1.10 -1.26 -5.04 121.20 112.21 2hna s ILE 62 Ca -0.05 -0.67 0.00 0.00 -0.51 0.00 0.00 60.65 59.42 2hna s ILE 62 Cb 0.17 -0.83 0.00 0.00 0.15 0.00 0.00 42.46 41.95 2hna s ILE 62 CO 0.62 -0.37 0.00 -2.65 -2.11 0.00 0.00 174.94 170.43 2hna n PRO 63 N 0.81 0.00 -2.44 3.50 -0.02 -1.26 -1.74 135.00 133.85 2hna n PRO 63 Ca -0.20 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2hna n PRO 63 Cb 0.58 -0.99 0.05 0.00 -0.02 0.00 0.00 33.50 33.12 2hna n PRO 63 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2hna n ASP 64 N 0.17 0.72 -0.30 2.55 2.03 -1.26 -5.00 116.55 115.47 2hna n ASP 64 Ca 0.00 -2.05 0.08 0.00 0.52 0.00 0.00 54.79 53.33 2hna n ASP 64 Cb 0.00 -0.17 0.23 0.00 -0.72 0.00 0.00 41.12 40.46 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 1.84 0.52 0.00 1.67 -1.24 -1.62 -2.06 115.58 114.69 2hna h ASN 65 Ca -0.24 0.10 -0.51 0.00 0.71 0.00 0.00 56.30 56.36 2hna h ASN 65 Cb 1.40 0.01 0.02 0.00 0.73 0.00 0.00 38.32 40.49 2hna h ASN 65 CO 0.06 0.21 3.01 0.18 -1.29 0.00 0.00 177.43 179.60 2hna n LEU 66 N -4.88 6.17 -0.04 0.34 7.99 -1.13 -3.90 117.00 121.56 2hna n LEU 66 Ca 0.18 -3.42 -0.12 0.00 -0.01 0.00 0.00 56.01 52.64 2hna n LEU 66 Cb 0.45 -1.27 -0.06 0.00 -0.11 0.00 0.00 43.42 42.43 2hna n LEU 66 CO 0.21 1.03 0.75 0.28 -1.51 0.00 0.00 177.39 178.14 2hna h SER 67 N 6.01 0.21 -0.20 -1.43 0.02 -1.63 -0.87 113.55 115.66 2hna h SER 67 Ca 0.61 -0.30 -0.21 0.00 -0.84 0.00 0.00 61.79 61.05 2hna h SER 67 Cb 0.26 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2hna h SER 67 CO 1.61 0.46 -0.70 1.55 -1.14 0.00 0.00 176.83 178.61 2hna h PRO 68 N -0.04 0.83 0.80 3.45 0.13 -1.88 -3.34 132.00 131.95 2hna h PRO 68 Ca 0.04 -0.62 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 2hna h PRO 68 Cb 0.34 0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.59 2hna h PRO 68 CO 0.01 1.24 -0.38 0.35 -0.23 0.00 0.00 178.00 178.98 2hna h PHE 69 N 0.59 -0.99 -0.69 1.56 3.04 -1.87 -0.75 116.94 117.83 2hna h PHE 69 Ca -0.03 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.91 2hna h PHE 69 Cb 1.33 0.33 -0.04 0.00 2.56 0.00 0.00 35.95 40.13 2hna h PHE 69 CO 0.08 -0.62 0.45 -0.92 -2.02 0.00 0.00 178.31 175.29 2hna h TYR 70 N -1.27 0.86 -0.13 0.41 3.20 -1.34 -0.25 116.97 118.45 2hna h TYR 70 Ca -0.11 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 2hna h TYR 70 Cb 0.82 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 2hna h TYR 70 CO 0.00 0.53 -0.10 0.93 -1.64 0.00 0.00 178.16 177.88 2hna h GLU 71 N 0.92 0.30 0.00 1.82 5.08 -1.67 -3.06 114.58 117.97 2hna h GLU 71 Ca 0.26 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2hna h GLU 71 Cb -0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2hna h GLU 71 CO -0.06 0.68 -0.16 0.00 -1.00 0.00 0.00 179.01 178.46 2hna h ALA 72 N 0.62 1.43 0.80 3.43 0.00 -0.49 0.13 119.26 125.17 2hna h ALA 72 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2hna h ALA 72 Cb 0.61 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2hna h ALA 72 CO 0.03 0.20 -0.38 -0.07 0.00 0.00 0.00 179.25 179.03 2hna h LEU 73 N 0.00 -0.91 -2.26 0.00 3.38 -1.09 -3.22 115.31 111.22 2hna h LEU 73 Ca -0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2hna h LEU 73 Cb 0.36 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2hna h LEU 73 CO 0.02 -0.61 0.16 1.56 0.09 0.00 0.00 178.44 179.66 2hna h GLN 74 N -1.16 0.00 -0.04 1.13 4.20 -1.27 0.25 115.11 118.23 2hna h GLN 74 Ca -0.11 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 2hna h GLN 74 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2hna h GLN 74 CO 0.18 0.00 -0.37 1.49 -0.67 0.00 0.00 178.83 179.46 2hna h GLU 75 N 0.00 0.08 0.00 1.46 4.81 -0.77 -3.37 114.58 116.79 2hna h GLU 75 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2hna h GLU 75 Cb 0.39 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2hna h GLU 75 CO -0.00 0.44 -0.66 0.00 -0.73 0.00 0.00 179.01 178.07 2hna n GLN 76 N -4.08 2.62 -2.97 1.92 10.64 -0.79 -5.07 117.38 119.64 2hna n GLN 76 Ca -0.02 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.10 2hna n GLN 76 Cb 0.42 -0.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.97 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 -1.48 -0.43 -0.52 2.61 5.02 0.81 -4.95 118.16 119.22 2hna n LYS 77 Ca 0.00 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 2hna n LYS 77 Cb 0.33 -0.26 0.27 0.00 -0.02 0.00 0.00 35.03 35.34 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 -3.19 -2.17 -0.15 1.97 0.04 -1.26 -5.01 135.00 125.23 2hna s PRO 78 Ca 0.02 0.30 -0.22 0.00 0.04 0.00 0.00 61.00 61.14 2hna s PRO 78 Cb -0.01 -1.45 -0.03 0.00 0.04 0.00 0.00 34.50 33.05 2hna s PRO 78 CO 0.17 -4.41 0.67 0.34 0.04 0.00 0.00 177.00 173.81 2hna s ASP 79 N -3.08 6.82 -0.02 6.66 2.15 -1.26 -4.70 116.67 123.24 2hna s ASP 79 Ca 0.69 0.99 0.03 0.00 0.43 0.00 0.00 52.55 54.69 2hna s ASP 79 Cb -0.16 -2.38 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2hna s ASP 79 CO 0.59 -0.23 1.02 0.18 -0.17 0.00 0.00 175.17 176.57 2hna n LEU 80 N 4.60 2.04 0.00 -1.34 7.99 -0.78 -4.76 117.00 124.74 2hna n LEU 80 Ca -0.01 -2.17 0.05 0.00 -0.01 0.00 0.00 56.01 53.88 2hna n LEU 80 Cb 0.50 -0.08 0.28 0.00 -0.11 0.00 0.00 43.42 44.01 2hna n LEU 80 CO 0.45 0.53 0.60 -1.20 -1.51 0.00 0.00 177.39 176.27 2hna n SER 81 N -0.66 0.00 -1.11 -1.43 7.64 -1.23 -0.91 113.62 115.92 2hna n SER 81 Ca 0.03 0.06 0.11 0.00 1.01 0.00 0.00 58.87 60.09 2hna n SER 81 Cb 0.32 -0.24 0.20 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.24 2.41 -2.38 -0.43 0.00 -1.26 -4.94 120.51 112.66 2hna n ALA 82 Ca 0.05 -0.99 -0.15 0.00 0.00 0.00 0.00 53.44 52.36 2hna n ALA 82 Cb 0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.44 1.07 0.13 0.00 0.11 -0.09 -3.76 120.40 116.43 2hna s VAL 83 Ca 0.37 -1.82 0.06 0.00 -2.93 0.00 0.00 61.98 57.66 2hna s VAL 83 Cb 0.22 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 2hna s VAL 83 CO 0.30 -0.62 -0.02 0.00 -3.33 0.00 0.00 175.10 171.43 2hna s ARG 84 N -3.17 2.40 0.22 1.54 1.70 -1.24 -2.57 118.95 117.83 2hna s ARG 84 Ca 0.10 -0.99 0.11 0.00 -0.47 0.00 0.00 55.73 54.48 2hna s ARG 84 Cb -0.01 -2.42 -0.05 0.00 -0.57 0.00 0.00 34.95 31.91 2hna s ARG 84 CO 0.00 0.50 -0.21 -0.59 -1.08 0.00 0.00 175.30 173.93 2hna s PHE 85 N -1.47 2.16 -0.11 5.89 -0.71 -0.48 -1.27 117.98 122.00 2hna s PHE 85 Ca 0.26 -0.39 -0.01 0.00 -1.04 0.00 0.00 56.93 55.75 2hna s PHE 85 Cb -0.11 -1.01 0.03 0.00 -1.21 0.00 0.00 43.02 40.72 2hna s PHE 85 CO 0.18 0.55 -0.04 0.20 -1.34 0.00 0.00 175.22 174.76 2hna s GLY 86 N -3.06 0.71 0.18 1.99 0.00 -0.96 -3.07 107.32 103.11 2hna s GLY 86 Ca 0.24 -0.44 -0.25 0.00 0.00 0.00 0.00 44.72 44.27 2hna s GLY 86 CO 0.11 0.98 0.77 0.00 0.00 0.00 0.00 173.10 174.96 2hna s ALA 87 N 1.80 3.44 -0.03 3.20 0.00 -1.26 -1.64 121.76 127.26 2hna s ALA 87 Ca 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2hna s ALA 87 Cb -0.13 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2hna s ALA 87 CO -0.07 0.29 0.03 0.42 0.00 0.00 0.00 175.76 176.43 2hna s ILE 88 N -1.20 0.05 0.00 0.00 1.01 -0.14 -0.82 121.20 120.10 2hna s ILE 88 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2hna s ILE 88 Cb -0.22 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2hna s ILE 88 CO 0.26 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2hna n GLY 89 N 4.61 1.90 3.58 6.18 0.00 0.24 -1.53 105.19 120.16 2hna n GLY 89 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.19 3.98 -0.53 -0.61 1.01 -1.19 -4.10 121.20 116.56 2hna s ILE 90 Ca 0.00 -1.64 0.05 0.00 0.00 0.00 0.00 60.65 59.05 2hna s ILE 90 Cb 0.00 -5.04 0.05 0.00 0.01 0.00 0.00 42.46 37.47 2hna s ILE 90 CO 0.00 -1.78 1.02 0.61 0.00 0.00 0.00 174.94 174.79 2hna n GLY 91 N 5.55 -0.46 0.25 6.18 0.00 -1.26 -1.49 105.19 113.96 2hna n GLY 91 Ca 0.47 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 2hna n GLY 91 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hna h SER 92 N 0.00 0.84 0.00 1.61 0.02 -1.83 -3.38 113.55 110.81 2hna h SER 92 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2hna h SER 92 Cb 0.31 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2hna h SER 92 CO 0.00 1.00 0.00 -1.14 -1.14 0.00 0.00 176.83 175.55 2hna n ARG 93 N -4.30 0.00 0.00 3.45 0.63 -0.55 -2.76 116.66 113.13 2hna n ARG 93 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hna n ARG 93 Cb 0.36 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.27 2hna n ARG 93 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2hna n GLU 94 N 0.00 0.00 0.00 -0.14 1.02 -1.25 -4.10 120.64 116.17 2hna n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hna n GLU 94 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2hna n GLU 94 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2hna n TYR 95 N -1.76 0.00 -0.29 -0.32 0.18 -1.18 -3.66 117.16 110.13 2hna n TYR 95 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 2hna n TYR 95 Cb 0.00 0.02 0.05 0.00 -0.38 0.00 0.00 39.34 39.03 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2hna n ASP 96 N 0.00 4.62 -3.93 9.48 2.03 -1.11 -4.77 116.55 122.87 2hna n ASP 96 Ca 0.00 -2.77 -0.08 0.00 0.52 0.00 0.00 54.79 52.46 2hna n ASP 96 Cb 0.28 -0.83 -0.04 0.00 -0.72 0.00 0.00 41.12 39.81 2hna n ASP 96 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2hna s THR 97 N -1.54 0.00 -0.24 5.18 -1.32 -1.26 -4.67 115.64 111.79 2hna s THR 97 Ca 0.23 -1.22 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 2hna s THR 97 Cb 0.19 -2.07 0.06 0.00 -1.51 0.00 0.00 72.50 69.17 2hna s THR 97 CO 0.02 -0.02 0.92 0.49 -2.21 0.00 0.00 174.62 173.83 2hna n PHE 98 N -0.40 0.08 -1.77 9.09 3.72 -1.26 -4.71 117.46 122.20 2hna n PHE 98 Ca -0.03 -0.36 0.04 0.00 -0.05 0.00 0.00 57.45 57.05 2hna n PHE 98 Cb 0.61 -0.03 0.06 0.00 -0.94 0.00 0.00 39.48 39.18 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 -0.43 0.64 0.00 0.00 0.00 -1.26 -4.48 105.19 99.66 2hna n GLY 100 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.00 0.00 -1.74 4.61 0.00 -1.26 -4.82 120.51 114.30 2hna n ALA 101 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2hna n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hna n ALA 101 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2hna n ILE 102 N 0.00 2.12 -1.91 0.00 3.06 -1.24 -3.78 119.36 117.62 2hna n ILE 102 Ca 0.00 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.39 2hna n ILE 102 Cb 0.00 -1.76 0.05 0.00 0.54 0.00 0.00 39.64 38.47 2hna n ILE 102 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2hna s ASP 103 N -0.27 4.97 0.26 9.51 2.15 -1.26 -4.78 116.67 127.25 2hna s ASP 103 Ca 0.56 2.47 -0.03 0.00 0.43 0.00 0.00 52.55 55.97 2hna s ASP 103 Cb -0.51 -2.61 0.40 0.00 -0.30 0.00 0.00 42.92 39.91 2hna s ASP 103 CO 0.62 -1.75 1.85 0.11 -0.17 0.00 0.00 175.17 175.83 2hna h LYS 104 N 0.75 0.96 0.35 4.34 1.57 -1.98 0.29 116.57 122.84 2hna h LYS 104 Ca -0.51 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2hna h LYS 104 Cb 1.31 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2hna h LYS 104 CO 0.54 0.64 -0.29 1.25 -0.57 0.00 0.00 179.45 181.02 2hna h LEU 105 N 0.99 -0.76 -0.67 2.94 7.12 -1.96 -2.31 115.31 120.67 2hna h LEU 105 Ca 0.42 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.40 2hna h LEU 105 Cb 0.27 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 2hna h LEU 105 CO -0.21 -0.43 0.06 -0.33 -0.13 0.00 0.00 178.44 177.41 2hna h GLU 106 N -0.64 1.10 -0.10 1.25 5.08 -1.66 -2.58 114.58 117.02 2hna h GLU 106 Ca -0.02 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2hna h GLU 106 Cb 0.57 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2hna h GLU 106 CO -0.02 1.03 0.03 0.00 -1.00 0.00 0.00 179.01 179.05 2hna h ALA 107 N 1.04 0.11 -0.44 3.43 0.00 -0.45 -1.82 119.26 121.12 2hna h ALA 107 Ca 0.19 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2hna h ALA 107 Cb 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hna h ALA 107 CO 0.02 -0.43 0.08 0.93 0.00 0.00 0.00 179.25 179.85 2hna h GLU 108 N 0.08 0.68 -0.53 0.00 4.39 -1.20 -1.28 114.58 116.72 2hna h GLU 108 Ca 0.04 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 2hna h GLU 108 Cb 0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2hna h GLU 108 CO -0.05 0.65 0.11 -0.07 -1.16 0.00 0.00 179.01 178.49 2hna h LEU 109 N 0.66 0.82 -0.75 1.33 3.38 -1.04 0.49 115.31 120.19 2hna h LEU 109 Ca 0.14 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2hna h LEU 109 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2hna h LEU 109 CO 0.00 0.85 0.03 0.11 0.09 0.00 0.00 178.44 179.52 2hna h LYS 110 N 0.75 0.99 -0.07 1.13 1.57 -1.02 -1.41 116.57 118.50 2hna h LYS 110 Ca 0.16 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 2hna h LYS 110 Cb 0.36 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2hna h LYS 110 CO 0.00 0.95 -0.35 -0.97 -0.57 0.00 0.00 179.45 178.51 2hna h ASN 111 N 0.91 0.14 0.68 0.86 -1.24 -0.98 -2.45 115.58 113.51 2hna h ASN 111 Ca 0.17 -0.05 -0.14 0.00 0.71 0.00 0.00 56.30 56.99 2hna h ASN 111 Cb 0.49 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 2hna h ASN 111 CO 0.02 0.49 -0.67 0.28 -1.29 0.00 0.00 177.43 176.26 2hna h SER 112 N 0.12 0.00 0.00 1.15 0.02 -0.33 -3.48 113.55 111.03 2hna h SER 112 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2hna h SER 112 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2hna h SER 112 CO 0.05 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 177.02 2hna n GLY 113 N 0.41 1.23 3.75 -3.77 0.00 -0.58 -1.87 105.19 104.37 2hna n GLY 113 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.63 3.61 -0.11 4.61 0.00 -0.95 -3.57 121.76 124.72 2hna s ALA 114 Ca 0.00 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 2hna s ALA 114 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2hna s ALA 114 CO 0.00 -0.77 0.81 -1.59 0.00 0.00 0.00 175.76 174.20 2hna s LYS 115 N -0.75 4.38 -0.74 0.00 -2.85 -1.06 -4.05 119.74 114.67 2hna s LYS 115 Ca 0.57 1.02 -0.26 0.00 -1.00 0.00 0.00 55.97 56.30 2hna s LYS 115 Cb -0.42 -3.51 0.02 0.00 -2.06 0.00 0.00 37.83 31.85 2hna s LYS 115 CO 0.47 -0.15 1.46 -1.14 0.10 0.00 0.00 175.35 176.09 2hna s GLN 116 N 1.50 3.08 0.53 1.78 0.74 -1.26 -1.38 119.66 124.65 2hna s GLN 116 Ca 0.40 -0.13 -0.19 0.00 0.05 0.00 0.00 55.36 55.49 2hna s GLN 116 Cb -0.18 -4.38 -0.06 0.00 1.10 0.00 0.00 33.01 29.49 2hna s GLN 116 CO 0.17 -2.34 1.07 0.99 -0.55 0.00 0.00 175.29 174.63 2hna s THR 117 N 6.60 3.64 0.00 -0.34 2.01 -1.17 -4.76 115.64 121.61 2hna s THR 117 Ca 0.45 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.40 2hna s THR 117 Cb -0.08 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2hna s THR 117 CO 0.13 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 2hna n GLY 118 N -0.35 3.32 3.76 4.40 0.00 -1.26 -4.77 105.19 110.29 2hna n GLY 118 Ca 0.10 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 1.71 0.07 1.61 -1.05 -1.26 -5.13 118.70 114.65 2hna s GLU 119 Ca 0.00 -1.09 -0.34 0.00 -0.15 0.00 0.00 54.97 53.39 2hna s GLU 119 Cb 0.00 0.56 -0.13 0.00 -0.44 0.00 0.00 34.13 34.12 2hna s GLU 119 CO 0.00 -0.76 1.69 2.41 0.95 0.00 0.00 175.26 179.55 2hna n THR 120 N -0.43 0.21 -2.29 1.83 -1.04 -1.26 -4.78 114.28 106.52 2hna n THR 120 Ca -0.03 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 2hna n THR 120 Cb 0.60 -1.66 0.01 0.00 -1.82 0.00 0.00 70.33 67.46 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 2.05 3.36 0.04 -4.42 0.20 0.00 -4.98 118.68 114.94 2hna s LEU 121 Ca 0.84 1.05 0.02 0.00 0.69 0.00 0.00 54.13 56.72 2hna s LEU 121 Cb -0.68 -3.99 -0.03 0.00 -0.43 0.00 0.00 46.19 41.07 2hna s LEU 121 CO 0.43 -0.84 -0.07 -0.54 -0.29 0.00 0.00 176.35 175.04 2hna s LYS 122 N -4.98 0.53 0.04 1.98 1.02 -1.26 -0.59 119.74 116.47 2hna s LYS 122 Ca 0.52 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.71 2hna s LYS 122 Cb -0.11 -0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 2hna s LYS 122 CO 0.48 0.03 -0.02 0.96 -0.92 0.00 0.00 175.35 175.89 2hna s ILE 123 N -1.59 0.19 0.18 2.17 -0.00 -0.74 -3.89 121.20 117.53 2hna s ILE 123 Ca -0.09 -1.54 -0.24 0.00 -0.00 0.00 0.00 60.65 58.78 2hna s ILE 123 Cb -0.09 -1.19 0.06 0.00 -0.00 0.00 0.00 42.46 41.24 2hna s ILE 123 CO -0.00 -0.85 0.92 0.21 -0.00 0.00 0.00 174.94 175.21 2hna s ASN 124 N -2.53 -0.18 0.12 4.36 3.84 -1.25 -4.00 114.94 115.29 2hna s ASN 124 Ca 0.01 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.62 2hna s ASN 124 Cb 0.03 0.54 0.00 0.00 -0.55 0.00 0.00 41.25 41.27 2hna s ASN 124 CO -0.08 -1.00 0.00 -0.38 -2.79 0.00 0.00 177.10 172.86 2hna n ILE 125 N -0.48 0.62 0.18 -5.21 2.08 -1.26 -4.59 119.36 110.71 2hna n ILE 125 Ca -0.06 0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.46 2hna n ILE 125 Cb 0.60 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.40 2hna n ILE 125 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2hna n LEU 126 N -3.23 -3.25 -4.70 1.39 7.94 -1.26 -5.09 117.00 108.80 2hna n LEU 126 Ca 0.00 0.70 -0.42 0.00 -1.11 0.00 0.00 56.01 55.17 2hna n LEU 126 Cb 0.00 3.14 -0.03 0.00 0.53 0.00 0.00 43.42 47.06 2hna n LEU 126 CO 0.00 0.12 1.14 -0.62 -1.11 0.00 0.00 177.39 176.92 2hna s ASP 127 N -2.00 6.79 0.87 1.96 2.15 -1.26 -4.99 116.67 120.19 2hna s ASP 127 Ca 0.00 2.27 -0.11 0.00 0.43 0.00 0.00 52.55 55.14 2hna s ASP 127 Cb 0.00 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.17 2hna s ASP 127 CO 0.00 -0.73 1.10 -1.00 -0.17 0.00 0.00 175.17 174.37 2hna s HIS 128 N 1.99 2.20 0.00 -5.34 3.76 -1.26 -5.04 115.29 111.60 2hna s HIS 128 Ca 0.66 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 57.05 2hna s HIS 128 Cb -0.35 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.19 2hna s HIS 128 CO 0.29 -2.37 0.00 -0.25 -0.85 0.00 0.00 174.74 171.56 2hna n ASP 129 N -3.90 0.00 0.14 1.40 8.00 -1.26 -5.01 116.55 115.93 2hna n ASP 129 Ca 0.09 -0.62 -0.13 0.00 0.71 0.00 0.00 54.79 54.83 2hna n ASP 129 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 2hna n ASP 129 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2hna h ILE 130 N 0.62 0.49 -0.10 0.53 5.03 -1.96 -3.28 117.51 118.85 2hna h ILE 130 Ca 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.69 2hna h ILE 130 Cb 0.00 0.49 -0.00 0.00 -3.03 0.00 0.00 36.82 34.28 2hna h ILE 130 CO 0.00 0.00 -0.13 1.55 -0.68 0.00 0.00 178.15 178.89 2hna h PRO 131 N -0.47 0.26 -6.27 2.37 0.13 -1.85 -3.48 132.00 122.69 2hna h PRO 131 Ca 0.01 -0.15 -0.46 0.00 -0.87 0.00 0.00 66.00 64.53 2hna h PRO 131 Cb 0.46 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 31.42 2hna h PRO 131 CO -0.09 0.71 -0.69 -0.85 -0.23 0.00 0.00 178.00 176.86 2hna n GLU 132 N -4.61 -2.75 -3.51 0.86 0.28 -1.24 -4.93 120.64 104.75 2hna n GLU 132 Ca -0.07 0.33 -0.15 0.00 -0.16 0.00 0.00 57.16 57.11 2hna n GLU 132 Cb 0.36 -5.00 -0.12 0.00 1.43 0.00 0.00 31.44 28.11 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2hna s ASP 133 N -2.98 0.86 0.54 -1.84 2.15 -1.26 -4.98 116.67 109.16 2hna s ASP 133 Ca 0.59 0.09 0.28 0.00 0.43 0.00 0.00 52.55 53.94 2hna s ASP 133 Cb -0.33 0.63 1.44 0.00 -0.30 0.00 0.00 42.92 44.37 2hna s ASP 133 CO 0.73 -0.30 1.95 -0.65 -0.17 0.00 0.00 175.17 176.73 2hna h PRO 134 N 8.28 0.00 -6.35 4.34 0.11 -1.79 -1.97 132.00 134.62 2hna h PRO 134 Ca -0.17 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.44 2hna h PRO 134 Cb 1.14 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.95 2hna h PRO 134 CO 0.24 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 177.31 2hna n ALA 135 N -2.63 -0.98 0.31 -0.75 0.00 -1.25 -4.38 120.51 110.82 2hna n ALA 135 Ca 0.13 -0.17 0.17 0.00 0.00 0.00 0.00 53.44 53.56 2hna n ALA 135 Cb 0.73 -1.97 0.98 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.70 0.00 -0.02 0.00 4.11 -1.90 -1.88 114.58 114.19 2hna h GLU 136 Ca -0.48 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.96 2hna h GLU 136 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2hna h GLU 136 CO 0.71 0.01 0.02 0.93 0.07 0.00 0.00 179.01 180.74 2hna h GLU 137 N 0.00 0.00 -0.84 1.06 3.07 -1.98 -1.87 114.58 114.01 2hna h GLU 137 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2hna h GLU 137 Cb 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 2hna h GLU 137 CO 0.00 0.00 0.44 -1.49 -1.40 0.00 0.00 179.01 176.56 2hna h TRP 138 N 0.00 1.18 0.53 4.33 -0.00 -1.72 -2.03 115.95 118.25 2hna h TRP 138 Ca 0.01 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.83 2hna h TRP 138 Cb 0.04 -0.37 0.01 0.00 -0.00 0.00 0.00 29.16 28.84 2hna h TRP 138 CO 0.00 0.83 -0.26 1.25 -0.00 0.00 0.00 178.44 180.27 2hna h LEU 139 N 1.18 -0.61 -0.30 -4.49 7.12 -1.52 0.10 115.31 116.80 2hna h LEU 139 Ca 0.29 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.34 2hna h LEU 139 Cb 0.07 0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.31 2hna h LEU 139 CO -0.04 -0.37 0.02 1.23 -0.13 0.00 0.00 178.44 179.14 2hna h GLY 140 N -0.80 0.30 0.98 3.75 0.00 -1.58 -0.86 103.07 104.85 2hna h GLY 140 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2hna h GLY 140 CO 0.12 -0.05 -0.26 1.76 0.00 0.00 0.00 176.54 178.11 2hna h SER 141 N 0.11 -0.62 -0.79 0.19 0.02 -1.16 -0.60 113.55 110.70 2hna h SER 141 Ca 0.14 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 2hna h SER 141 Cb 0.18 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 2hna h SER 141 CO -0.23 -0.42 0.46 -0.25 -1.14 0.00 0.00 176.83 175.25 2hna h TRP 142 N -0.76 0.83 -0.15 3.45 7.01 -0.71 0.36 115.95 125.97 2hna h TRP 142 Ca -0.08 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.97 2hna h TRP 142 Cb 0.58 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 2hna h TRP 142 CO -0.03 0.37 0.02 0.28 -2.79 0.00 0.00 178.44 176.29 2hna h VAL 143 N 0.80 0.93 -0.01 2.65 2.07 -0.97 0.13 116.25 121.85 2hna h VAL 143 Ca 0.37 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 2hna h VAL 143 Cb 0.28 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2hna h VAL 143 CO -0.22 0.01 -0.07 0.78 0.02 0.00 0.00 177.57 178.10 2hna h ASN 144 N 0.08 0.01 0.02 0.57 2.35 0.04 -1.10 115.58 117.55 2hna h ASN 144 Ca 0.07 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2hna h ASN 144 Cb 0.06 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2hna h ASN 144 CO -0.09 0.09 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.26 2hna h LEU 145 N 0.01 0.35 -0.54 1.61 4.07 -0.34 -3.33 115.31 117.15 2hna h LEU 145 Ca 0.00 -0.82 -0.16 0.00 0.08 0.00 0.00 57.88 56.98 2hna h LEU 145 Cb 0.14 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2hna h LEU 145 CO 0.01 1.13 -0.66 0.17 -1.08 0.00 0.00 178.44 178.01 2hna h LEU 146 N -0.39 0.35 0.00 1.67 8.10 -0.81 -3.51 115.31 120.73 2hna h LEU 146 Ca -0.06 -0.22 0.00 0.00 0.11 0.00 0.00 57.88 57.71 2hna h LEU 146 Cb 1.22 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.34 2hna h LEU 146 CO 0.09 0.91 0.00 0.29 -4.11 0.00 0.00 178.44 175.62