#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 -0.56 -0.13 -5.12 0.00 -1.26 -4.62 121.76 110.07 2hna s ALA 2 Ca 0.00 -0.46 0.20 0.00 0.00 0.00 0.00 51.96 51.69 2hna s ALA 2 Cb 0.00 0.82 -0.19 0.00 0.00 0.00 0.00 23.12 23.74 2hna s ALA 2 CO 0.00 -0.71 0.62 -3.47 0.00 0.00 0.00 175.76 172.20 2hna n ASP 3 N -0.27 0.44 -3.87 0.00 2.03 0.50 -4.93 116.55 110.45 2hna n ASP 3 Ca -0.10 0.19 -0.18 0.00 0.52 0.00 0.00 54.79 55.21 2hna n ASP 3 Cb 0.63 0.92 -0.16 0.00 -0.72 0.00 0.00 41.12 41.78 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 0.39 -0.11 5.18 1.01 -1.16 -3.46 121.20 119.94 2hna s ILE 4 Ca -0.05 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.35 2hna s ILE 4 Cb 0.10 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2hna s ILE 4 CO 0.84 0.19 0.57 0.28 0.00 0.00 0.00 174.94 176.81 2hna s THR 5 N 0.88 5.12 -0.57 2.92 -1.32 -1.11 -1.16 115.64 120.41 2hna s THR 5 Ca -0.11 1.13 -0.04 0.00 -1.21 0.00 0.00 61.69 61.46 2hna s THR 5 Cb -0.14 -3.90 0.15 0.00 -1.51 0.00 0.00 72.50 67.10 2hna s THR 5 CO -0.00 0.27 0.40 -0.76 -2.21 0.00 0.00 174.62 172.32 2hna s LEU 6 N 0.86 5.39 -0.67 9.08 2.01 -0.22 -1.17 118.68 133.96 2hna s LEU 6 Ca 0.30 -2.55 -0.26 0.00 0.01 0.00 0.00 54.13 51.62 2hna s LEU 6 Cb -0.16 -1.89 -0.01 0.00 0.01 0.00 0.00 46.19 44.14 2hna s LEU 6 CO 0.13 -0.46 1.74 -0.63 1.01 0.00 0.00 176.35 178.14 2hna s ILE 7 N 0.38 3.45 -1.52 -0.59 -1.09 -0.04 -1.70 121.20 120.09 2hna s ILE 7 Ca 0.14 0.17 0.06 0.00 -2.23 0.00 0.00 60.65 58.80 2hna s ILE 7 Cb -0.21 -4.18 0.24 0.00 -1.58 0.00 0.00 42.46 36.73 2hna s ILE 7 CO -0.04 -1.14 1.07 -1.20 -1.23 0.00 0.00 174.94 172.41 2hna n SER 8 N 12.06 1.78 -3.49 3.58 7.64 0.10 -0.67 113.62 134.63 2hna n SER 8 Ca 0.19 -2.12 -0.10 0.00 1.01 0.00 0.00 58.87 57.85 2hna n SER 8 Cb 0.51 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 2hna n SER 8 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hna s GLY 9 N -0.71 -0.50 -0.11 0.23 0.00 -1.18 -3.33 107.32 101.72 2hna s GLY 9 Ca 0.17 0.96 0.13 0.00 0.00 0.00 0.00 44.72 45.98 2hna s GLY 9 CO 0.09 0.37 0.43 -1.14 0.00 0.00 0.00 173.10 172.84 2hna n SER 10 N -0.16 0.66 -2.47 1.64 3.41 -0.60 -4.57 113.62 111.53 2hna n SER 10 Ca -0.12 0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.52 2hna n SER 10 Cb 0.62 0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.83 2hna n SER 10 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2hna n THR 11 N -2.97 2.10 -2.22 6.66 5.66 -1.26 -1.13 114.28 121.11 2hna n THR 11 Ca -0.24 -4.44 -0.17 0.00 -3.05 0.00 0.00 64.05 56.16 2hna n THR 11 Cb 1.09 -0.81 -0.02 0.00 -1.55 0.00 0.00 70.33 69.03 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2hna n LEU 12 N -0.43 -1.50 0.00 1.09 7.94 -1.26 -4.84 117.00 118.00 2hna n LEU 12 Ca 0.33 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2hna n LEU 12 Cb 0.73 -2.53 0.00 0.00 0.53 0.00 0.00 43.42 42.15 2hna n LEU 12 CO 0.32 -0.33 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 2hna n GLY 13 N -0.79 1.56 0.00 -3.96 0.00 -1.26 -4.85 105.19 95.91 2hna n GLY 13 Ca -0.19 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.52 -0.57 2.21 -0.02 0.00 -1.26 -1.56 105.19 103.48 2hna n GLY 14 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 4.47 0.20 4.61 0.00 -1.25 -4.67 120.51 123.88 2hna n ALA 15 Ca 0.00 -1.24 0.12 0.00 0.00 0.00 0.00 53.44 52.32 2hna n ALA 15 Cb 0.00 -2.35 0.69 0.00 0.00 0.00 0.00 19.45 17.79 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 4.25 0.00 0.13 0.00 5.08 -1.94 -2.26 114.58 119.84 2hna h GLU 16 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2hna h GLU 16 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2hna h GLU 16 CO 0.42 0.00 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.44 2hna h TYR 17 N 0.00 -0.17 0.00 4.33 3.20 -1.90 0.51 116.97 122.94 2hna h TYR 17 Ca 0.06 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 2hna h TYR 17 Cb 0.25 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2hna h TYR 17 CO 0.00 -0.10 -0.75 -0.24 -1.64 0.00 0.00 178.16 175.43 2hna h VAL 18 N -0.18 1.39 -0.58 1.81 3.04 -1.88 -1.71 116.25 118.15 2hna h VAL 18 Ca -0.02 -2.69 -0.00 0.00 -1.01 0.00 0.00 66.70 62.97 2hna h VAL 18 Cb 0.14 2.51 -0.03 0.00 -2.01 0.00 0.00 31.29 31.91 2hna h VAL 18 CO 0.03 0.73 0.34 0.00 -1.01 0.00 0.00 177.57 177.66 2hna h ALA 19 N 1.25 0.73 -0.62 3.17 0.00 -1.25 0.56 119.26 123.11 2hna h ALA 19 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2hna h ALA 19 Cb 1.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2hna h ALA 19 CO 0.10 0.22 0.07 1.49 0.00 0.00 0.00 179.25 181.13 2hna h GLU 20 N 0.78 1.05 -0.58 0.00 4.81 -0.75 -0.48 114.58 119.41 2hna h GLU 20 Ca 0.21 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2hna h GLU 20 Cb -0.00 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2hna h GLU 20 CO -0.04 1.00 0.28 1.25 -0.73 0.00 0.00 179.01 180.77 2hna h HIS 21 N 0.96 0.82 0.10 0.92 2.76 -0.92 -0.27 115.15 119.53 2hna h HIS 21 Ca 0.18 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2hna h HIS 21 Cb 0.48 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2hna h HIS 21 CO 0.04 0.63 -0.05 -0.07 -1.30 0.00 0.00 177.93 177.17 2hna h LEU 22 N 0.78 -0.12 -0.62 0.26 3.38 -0.76 -2.27 115.31 115.97 2hna h LEU 22 Ca 0.20 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2hna h LEU 22 Cb 0.11 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 2hna h LEU 22 CO -0.03 -0.06 0.18 0.00 0.09 0.00 0.00 178.44 178.62 2hna h ALA 23 N 0.74 0.77 0.21 1.53 0.00 -0.82 -1.06 119.26 120.64 2hna h ALA 23 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2hna h ALA 23 Cb 0.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hna h ALA 23 CO 0.02 -0.26 -0.10 1.49 0.00 0.00 0.00 179.25 180.40 2hna h GLU 24 N 0.32 -0.28 -0.84 0.00 4.81 -0.87 -1.71 114.58 116.01 2hna h GLU 24 Ca 0.32 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2hna h GLU 24 Cb 0.46 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2hna h GLU 24 CO -0.37 -0.15 0.55 0.87 -0.73 0.00 0.00 179.01 179.18 2hna h LYS 25 N -0.33 0.89 0.00 1.92 1.79 -1.07 -0.35 116.57 119.43 2hna h LYS 25 Ca -0.03 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.32 2hna h LYS 25 Cb 0.25 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2hna h LYS 25 CO 0.05 0.59 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.62 2hna h LEU 26 N 0.92 0.00 -0.19 2.94 4.07 -0.84 0.30 115.31 122.51 2hna h LEU 26 Ca 0.37 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.22 2hna h LEU 26 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2hna h LEU 26 CO -0.13 0.32 -0.28 -0.33 -1.08 0.00 0.00 178.44 176.94 2hna h GLU 27 N 0.00 0.53 0.00 1.13 5.08 -0.19 -3.04 114.58 118.08 2hna h GLU 27 Ca -0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2hna h GLU 27 Cb 0.58 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2hna h GLU 27 CO 0.04 0.91 -0.03 0.93 -1.00 0.00 0.00 179.01 179.86 2hna h GLU 28 N 0.19 0.00 0.00 2.33 4.39 -0.86 -0.63 114.58 120.00 2hna h GLU 28 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2hna h GLU 28 Cb 0.85 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2hna h GLU 28 CO 0.06 0.03 -0.05 0.00 -1.16 0.00 0.00 179.01 177.90 2hna h ALA 29 N 1.97 1.03 0.00 3.43 0.00 -0.83 -3.46 119.26 121.40 2hna h ALA 29 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hna h ALA 29 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2hna h ALA 29 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2hna n GLY 30 N -0.15 -0.11 0.00 0.00 0.00 -0.27 -5.09 105.19 99.57 2hna n GLY 30 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.16 1.61 3.72 -1.06 -5.05 117.46 112.52 2hna n PHE 31 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 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 -0.71 1.03 0.03 4.37 -4.23 -1.26 -4.33 115.64 110.54 2hna s THR 32 Ca 0.00 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2hna s THR 32 Cb 0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 2hna s THR 32 CO 0.00 -0.24 -0.02 0.42 -0.54 0.00 0.00 174.62 174.24 2hna s THR 33 N -1.28 0.14 -0.56 3.99 -4.23 -1.26 -0.37 115.64 112.07 2hna s THR 33 Ca -0.03 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2hna s THR 33 Cb -0.10 -0.68 0.14 0.00 1.34 0.00 0.00 72.50 73.20 2hna s THR 33 CO 0.02 -0.65 0.32 -0.70 -0.54 0.00 0.00 174.62 173.07 2hna s GLU 34 N -2.26 2.18 -0.06 3.99 2.56 -0.31 -4.84 118.70 119.96 2hna s GLU 34 Ca -0.08 -2.61 -0.30 0.00 0.00 0.00 0.00 54.97 51.97 2hna s GLU 34 Cb -0.04 -3.46 -0.05 0.00 2.00 0.00 0.00 34.13 32.58 2hna s GLU 34 CO -0.04 -1.13 1.61 0.99 -0.56 0.00 0.00 175.26 176.13 2hna s THR 35 N -0.25 3.63 -0.09 -1.70 2.01 -1.26 -1.06 115.64 116.92 2hna s THR 35 Ca 0.17 0.78 -0.07 0.00 0.31 0.00 0.00 61.69 62.89 2hna s THR 35 Cb -0.24 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.79 2hna s THR 35 CO -0.01 -0.06 0.22 -0.76 -0.69 0.00 0.00 174.62 173.31 2hna s LEU 36 N 3.89 0.96 -0.02 4.42 1.43 -0.69 -4.97 118.68 123.70 2hna s LEU 36 Ca 0.72 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2hna s LEU 36 Cb -0.32 0.72 0.02 0.00 0.03 0.00 0.00 46.19 46.64 2hna s LEU 36 CO 0.28 -0.10 1.56 0.00 0.23 0.00 0.00 176.35 178.32 2hna n HIS 37 N 3.35 0.13 -3.97 0.29 1.44 -1.26 0.01 115.22 115.21 2hna n HIS 37 Ca -0.17 -0.84 -0.30 0.00 -2.01 0.00 0.00 57.72 54.40 2hna n HIS 37 Cb 0.57 -0.42 0.01 0.00 0.12 0.00 0.00 29.99 30.27 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 0.96 -0.45 0.29 -1.39 0.00 -1.26 -4.02 105.19 99.32 2hna n GLY 38 Ca 0.03 0.17 0.17 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.92 0.00 0.00 1.61 0.13 -1.93 -2.06 132.00 127.83 2hna h PRO 39 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 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 0.68 0.04 -0.01 1.28 -0.23 0.00 0.00 178.00 179.76 2hna n LEU 40 N -3.20 1.96 0.00 1.56 4.77 -1.26 -4.99 117.00 115.84 2hna n LEU 40 Ca -0.01 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 2hna n LEU 40 Cb 0.25 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2hna n LEU 40 CO 0.26 0.53 0.00 -0.11 -1.33 0.00 0.00 177.39 176.75 2hna n LEU 41 N -0.74 0.00 -3.00 2.23 7.94 -0.77 -4.56 117.00 118.10 2hna n LEU 41 Ca 0.05 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.96 2hna n LEU 41 Cb 0.39 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.33 2hna n LEU 41 CO 0.00 0.00 0.29 -1.83 -1.11 0.00 0.00 177.39 174.74 2hna s GLU 42 N 0.00 0.47 0.11 1.96 -1.05 -1.26 -4.95 118.70 113.98 2hna s GLU 42 Ca 0.00 -0.10 -0.15 0.00 -0.15 0.00 0.00 54.97 54.57 2hna s GLU 42 Cb 0.00 0.07 -0.05 0.00 -0.44 0.00 0.00 34.13 33.71 2hna s GLU 42 CO 0.00 -0.70 1.50 0.22 0.95 0.00 0.00 175.26 177.23 2hna h ASP 43 N 6.36 0.69 -3.96 0.83 3.58 -1.97 -3.42 116.42 118.52 2hna h ASP 43 Ca -0.00 -0.38 -0.48 0.00 0.42 0.00 0.00 57.03 56.59 2hna h ASP 43 Cb 1.21 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 2hna h ASP 43 CO 0.01 0.92 0.25 -0.76 -2.88 0.00 0.00 179.24 176.78 2hna s LEU 44 N -9.24 3.81 0.00 2.28 1.43 -1.26 -5.08 118.68 110.63 2hna s LEU 44 Ca -0.13 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 2hna s LEU 44 Cb 0.09 -4.31 0.11 0.00 0.03 0.00 0.00 46.19 42.11 2hna s LEU 44 CO 0.80 -0.43 0.38 -0.81 0.23 0.00 0.00 176.35 176.52 2hna n PRO 45 N -1.12 -1.85 -0.11 1.29 -0.04 -1.26 -4.86 135.00 127.04 2hna n PRO 45 Ca 0.05 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2hna n PRO 45 Cb 0.54 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 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 -3.68 2.38 -3.62 0.55 0.00 -1.26 -4.62 120.51 110.26 2hna n ALA 46 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 2hna n ALA 46 Cb 0.21 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 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 1.41 -0.79 0.00 0.00 0.01 -1.26 -4.09 113.70 108.99 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 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.51 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 3.72 0.26 3.23 3.44 0.00 -1.01 -4.91 105.19 109.94 2hna n GLY 48 Ca -0.18 -1.72 -0.28 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 -1.51 1.69 0.12 -0.61 -1.09 -1.22 -3.57 121.20 115.01 2hna s ILE 49 Ca 0.00 -0.92 0.10 0.00 -2.23 0.00 0.00 60.65 57.59 2hna s ILE 49 Cb 0.00 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 2hna s ILE 49 CO 0.00 0.47 -0.22 0.26 -1.23 0.00 0.00 174.94 174.23 2hna s TRP 50 N -0.51 2.45 0.01 3.97 0.52 -0.55 -2.73 118.94 122.09 2hna s TRP 50 Ca 0.08 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.90 2hna s TRP 50 Cb -0.08 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 30.92 2hna s TRP 50 CO -0.01 0.36 -0.03 -0.51 0.02 0.00 0.00 176.95 176.79 2hna s LEU 51 N -2.09 2.07 -0.04 2.99 1.43 -0.31 -2.11 118.68 120.62 2hna s LEU 51 Ca 0.16 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2hna s LEU 51 Cb -0.10 -0.06 0.03 0.00 0.03 0.00 0.00 46.19 46.08 2hna s LEU 51 CO 0.08 -0.06 0.03 0.54 0.23 0.00 0.00 176.35 177.17 2hna s VAL 52 N -0.44 0.05 -0.28 -1.59 0.11 -0.66 -0.86 120.40 116.74 2hna s VAL 52 Ca -0.04 0.26 -0.07 0.00 -2.93 0.00 0.00 61.98 59.20 2hna s VAL 52 Cb -0.03 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 2hna s VAL 52 CO -0.00 0.17 0.09 -0.63 -3.33 0.00 0.00 175.10 171.39 2hna s ILE 53 N 1.68 4.21 0.22 7.04 1.09 0.15 -0.95 121.20 134.65 2hna s ILE 53 Ca -0.01 -0.41 -0.09 0.00 -1.10 0.00 0.00 60.65 59.04 2hna s ILE 53 Cb -0.13 -3.07 0.03 0.00 -1.06 0.00 0.00 42.46 38.24 2hna s ILE 53 CO -0.03 0.20 0.46 -1.20 -0.10 0.00 0.00 174.94 174.27 2hna n SER 54 N 4.91 -1.31 -2.94 3.58 7.64 -0.64 -3.11 113.62 121.75 2hna n SER 54 Ca -0.15 -1.90 -0.14 0.00 1.01 0.00 0.00 58.87 57.69 2hna n SER 54 Cb 0.50 2.18 -0.01 0.00 -1.01 0.00 0.00 64.21 65.87 2hna n SER 54 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hna n SER 55 N -1.29 -1.92 0.00 6.43 7.64 -1.26 -2.10 113.62 121.12 2hna n SER 55 Ca -0.05 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2hna n SER 55 Cb 0.34 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 2hna n SER 55 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2hna n THR 56 N 1.95 0.00 -0.92 0.44 -2.24 -1.26 -4.73 114.28 107.52 2hna n THR 56 Ca 0.16 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.60 2hna n THR 56 Cb 0.57 -0.39 0.09 0.00 -2.10 0.00 0.00 70.33 68.50 2hna n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hna n HIS 57 N -0.50 -2.38 -4.98 4.78 1.44 -1.26 -3.97 115.22 108.35 2hna n HIS 57 Ca 0.00 0.18 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 2hna n HIS 57 Cb 0.00 -1.71 0.00 0.00 0.12 0.00 0.00 29.99 28.40 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hna n GLY 58 N 2.05 1.18 0.00 -1.39 0.00 -0.05 -2.38 105.19 104.61 2hna n GLY 58 Ca 0.05 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 5.36 2.30 -0.40 4.61 0.00 -1.26 -3.83 120.51 127.29 2hna n ALA 59 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2hna n ALA 59 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.35 0.57 3.19 0.00 0.00 -1.00 -4.84 105.19 103.47 2hna n GLY 60 Ca 0.10 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 2hna n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hna s ASP 61 N -4.00 0.19 0.34 1.61 2.15 -0.64 -4.90 116.67 111.42 2hna s ASP 61 Ca 0.00 -1.33 0.11 0.00 0.43 0.00 0.00 52.55 51.76 2hna s ASP 61 Cb 0.00 0.36 0.90 0.00 -0.30 0.00 0.00 42.92 43.88 2hna s ASP 61 CO 0.00 -0.81 1.77 -0.29 -0.17 0.00 0.00 175.17 175.66 2hna h ILE 62 N 2.68 0.61 0.00 4.11 2.10 -1.95 0.52 117.51 125.58 2hna h ILE 62 Ca -0.36 -0.20 -0.02 0.00 1.08 0.00 0.00 64.86 65.36 2hna h ILE 62 Cb 1.24 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 2hna h ILE 62 CO 0.54 0.11 -0.11 1.55 -1.08 0.00 0.00 178.15 179.16 2hna h PRO 63 N 0.59 0.00 0.00 2.19 0.13 -1.96 -3.46 132.00 129.49 2hna h PRO 63 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.72 2hna h PRO 63 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2hna h PRO 63 CO -0.37 0.11 0.00 -3.47 -0.23 0.00 0.00 178.00 174.04 2hna n ASP 64 N -3.18 0.00 0.00 1.44 2.03 0.17 -4.87 116.55 112.14 2hna n ASP 64 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2hna n ASP 64 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2hna n ASP 64 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2hna n ASN 65 N 0.00 0.00 -4.75 1.67 2.85 -1.21 -1.62 115.26 112.20 2hna n ASN 65 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 2hna n ASN 65 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 2hna n ASN 65 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2hna s LEU 66 N 0.00 4.61 -0.18 1.20 1.02 -1.26 -4.70 118.68 119.37 2hna s LEU 66 Ca 0.00 1.95 -0.16 0.00 0.02 0.00 0.00 54.13 55.94 2hna s LEU 66 Cb 0.00 -3.66 -0.07 0.00 0.02 0.00 0.00 46.19 42.48 2hna s LEU 66 CO 0.00 0.12 -0.33 -1.20 0.02 0.00 0.00 176.35 174.96 2hna n SER 67 N 1.36 1.87 0.09 2.29 7.64 -0.28 -4.40 113.62 122.19 2hna n SER 67 Ca -0.01 0.32 -0.18 0.00 1.01 0.00 0.00 58.87 60.01 2hna n SER 67 Cb 0.47 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 2hna n SER 67 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2hna h PRO 68 N -0.93 0.46 0.87 1.43 0.13 -1.94 -3.37 132.00 128.65 2hna h PRO 68 Ca -0.14 -0.61 -0.04 0.00 -0.87 0.00 0.00 66.00 64.34 2hna h PRO 68 Cb 1.07 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2hna h PRO 68 CO -0.09 1.25 -0.48 0.35 -0.23 0.00 0.00 178.00 178.81 2hna h PHE 69 N 0.20 -1.25 -0.29 1.56 3.57 -1.82 -0.92 116.94 117.99 2hna h PHE 69 Ca -0.14 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.38 2hna h PHE 69 Cb 1.83 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 40.96 2hna h PHE 69 CO 0.08 -0.74 0.08 -0.92 -2.23 0.00 0.00 178.31 174.59 2hna h TYR 70 N -1.24 0.15 -0.28 0.41 3.20 -1.77 0.72 116.97 118.16 2hna h TYR 70 Ca -0.12 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2hna h TYR 70 Cb 0.97 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2hna h TYR 70 CO -0.06 0.06 0.05 0.93 -1.64 0.00 0.00 178.16 177.50 2hna h GLU 71 N 0.20 0.46 -0.44 1.82 5.08 -1.69 -2.87 114.58 117.14 2hna h GLU 71 Ca 0.13 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2hna h GLU 71 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2hna h GLU 71 CO -0.15 0.56 -0.03 0.00 -1.00 0.00 0.00 179.01 178.39 2hna h ALA 72 N 0.88 1.12 0.32 3.43 0.00 -0.84 -2.70 119.26 121.46 2hna h ALA 72 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2hna h ALA 72 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2hna h ALA 72 CO 0.00 0.56 -0.30 -0.07 0.00 0.00 0.00 179.25 179.44 2hna h LEU 73 N 0.68 -0.82 -1.53 0.00 3.38 -0.67 -2.20 115.31 114.15 2hna h LEU 73 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2hna h LEU 73 Cb 0.47 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2hna h LEU 73 CO 0.02 -0.44 0.00 1.56 0.09 0.00 0.00 178.44 179.67 2hna h GLN 74 N -0.65 0.00 -0.03 1.13 4.20 -1.44 0.21 115.11 118.53 2hna h GLN 74 Ca -0.02 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 2hna h GLN 74 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2hna h GLN 74 CO -0.05 0.00 -0.70 1.49 -0.67 0.00 0.00 178.83 178.90 2hna h GLU 75 N 0.00 0.17 0.00 1.46 4.81 -1.07 -3.39 114.58 116.56 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 0.38 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2hna h GLU 75 CO 0.00 0.80 -0.88 0.00 -0.73 0.00 0.00 179.01 178.20 2hna n GLN 76 N -3.78 2.17 -3.78 1.92 10.64 -1.01 -5.07 117.38 118.48 2hna n GLN 76 Ca -0.02 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.89 2hna n GLN 76 Cb 0.68 -0.94 0.01 0.00 -0.86 0.00 0.00 30.24 29.13 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 -1.58 -0.64 -0.82 2.61 5.02 0.71 -4.85 118.16 118.60 2hna n LYS 77 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2hna n LYS 77 Cb 0.23 -1.19 0.18 0.00 -0.02 0.00 0.00 35.03 34.23 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 -5.80 0.51 -1.52 1.97 0.04 -1.26 -4.86 135.00 124.08 2hna s PRO 78 Ca 0.22 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 2hna s PRO 78 Cb -0.12 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2hna s PRO 78 CO 0.59 -2.83 2.56 -3.47 0.04 0.00 0.00 177.00 173.89 2hna n ASP 79 N -4.32 6.10 -0.31 6.66 2.03 -1.26 -4.32 116.55 121.12 2hna n ASP 79 Ca 0.07 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.68 2hna n ASP 79 Cb 0.54 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 4.95 0.29 0.00 -2.67 7.99 -1.24 -4.25 117.00 122.07 2hna n LEU 80 Ca 0.64 -0.15 0.05 0.00 -0.01 0.00 0.00 56.01 56.54 2hna n LEU 80 Cb 0.31 -0.15 0.26 0.00 -0.11 0.00 0.00 43.42 43.74 2hna n LEU 80 CO 0.88 0.07 0.54 -1.54 -1.51 0.00 0.00 177.39 175.83 2hna n SER 81 N -0.02 0.00 -0.04 -1.43 3.41 -1.25 -1.32 113.62 112.97 2hna n SER 81 Ca 0.00 -0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.52 2hna n SER 81 Cb 0.07 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.94 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hna n ALA 82 N -1.12 1.93 -2.27 7.33 0.00 -1.26 -4.99 120.51 120.14 2hna n ALA 82 Ca 0.06 -1.31 -0.12 0.00 0.00 0.00 0.00 53.44 52.07 2hna n ALA 82 Cb 0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.25 0.81 0.13 0.00 0.11 -0.43 -2.39 120.40 117.38 2hna s VAL 83 Ca 0.07 -1.87 0.06 0.00 -2.93 0.00 0.00 61.98 57.31 2hna s VAL 83 Cb 0.06 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 2hna s VAL 83 CO 0.01 -0.78 -0.15 0.00 -3.33 0.00 0.00 175.10 170.85 2hna s ARG 84 N -3.55 1.06 0.38 1.54 1.70 -1.23 -3.94 118.95 114.91 2hna s ARG 84 Ca 0.11 -1.26 0.08 0.00 -0.47 0.00 0.00 55.73 54.18 2hna s ARG 84 Cb 0.03 -0.98 -0.05 0.00 -0.57 0.00 0.00 34.95 33.37 2hna s ARG 84 CO -0.03 0.19 0.14 -0.59 -1.08 0.00 0.00 175.30 173.93 2hna s PHE 85 N -2.09 2.62 -0.07 5.89 -0.71 -0.06 -1.48 117.98 122.09 2hna s PHE 85 Ca 0.10 -0.51 -0.01 0.00 -1.04 0.00 0.00 56.93 55.46 2hna s PHE 85 Cb -0.05 -1.79 0.03 0.00 -1.21 0.00 0.00 43.02 39.99 2hna s PHE 85 CO 0.04 0.28 0.01 0.20 -1.34 0.00 0.00 175.22 174.41 2hna s GLY 86 N -3.85 0.43 0.02 1.99 0.00 -0.90 -0.78 107.32 104.22 2hna s GLY 86 Ca 0.39 -0.07 -0.25 0.00 0.00 0.00 0.00 44.72 44.80 2hna s GLY 86 CO 0.22 1.18 0.75 0.00 0.00 0.00 0.00 173.10 175.26 2hna s ALA 87 N 2.01 3.36 -0.06 3.20 0.00 -1.26 -1.65 121.76 127.35 2hna s ALA 87 Ca 0.05 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2hna s ALA 87 Cb -0.12 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2hna s ALA 87 CO -0.05 0.02 -0.05 0.42 0.00 0.00 0.00 175.76 176.11 2hna s ILE 88 N 0.16 0.62 0.00 0.00 1.01 -0.13 -0.82 121.20 122.05 2hna s ILE 88 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2hna s ILE 88 Cb -0.20 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2hna s ILE 88 CO 0.22 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2hna n GLY 89 N 4.34 2.35 3.50 6.18 0.00 0.17 -1.62 105.19 120.10 2hna n GLY 89 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.82 1.91 -0.70 -0.61 2.08 -0.89 -4.25 119.36 115.09 2hna n ILE 90 Ca 0.00 -0.50 0.04 0.00 0.56 0.00 0.00 62.75 62.85 2hna n ILE 90 Cb 0.00 -0.61 0.06 0.00 -0.75 0.00 0.00 39.64 38.33 2hna n ILE 90 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2hna n GLY 91 N 1.61 3.08 0.28 7.39 0.00 -1.26 -4.72 105.19 111.56 2hna n GLY 91 Ca 0.12 -0.48 0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -5.05 1.61 0.02 -1.81 -3.33 113.55 104.99 2hna h SER 92 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2hna h SER 92 Cb 0.83 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.29 2hna h SER 92 CO 0.00 0.00 0.14 0.00 -1.14 0.00 0.00 176.83 175.83 2hna s ARG 93 N -3.83 1.58 0.00 3.45 1.70 -1.26 -4.50 118.95 116.09 2hna s ARG 93 Ca -0.02 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 2hna s ARG 93 Cb 0.10 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 35.05 2hna s ARG 93 CO 0.42 -0.70 0.00 0.39 -1.08 0.00 0.00 175.30 174.33 2hna n GLU 94 N -0.41 0.00 -3.69 3.89 1.02 -1.26 -4.82 120.64 115.37 2hna n GLU 94 Ca -0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 2hna n GLU 94 Cb 0.61 -0.95 -0.09 0.00 -0.02 0.00 0.00 31.44 31.00 2hna n GLU 94 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2hna s TYR 95 N -0.19 -0.62 -1.56 -0.32 5.04 -1.26 -4.99 117.35 113.46 2hna s TYR 95 Ca 0.00 1.47 -0.09 0.00 -2.44 0.00 0.00 57.07 56.01 2hna s TYR 95 Cb 0.00 0.24 0.09 0.00 0.35 0.00 0.00 41.96 42.64 2hna s TYR 95 CO 0.00 -0.31 0.24 -3.47 -1.34 0.00 0.00 175.55 170.67 2hna n ASP 96 N 3.02 -0.21 -4.62 4.32 2.03 -1.26 -4.60 116.55 115.22 2hna n ASP 96 Ca -0.15 -1.16 -0.29 0.00 0.52 0.00 0.00 54.79 53.71 2hna n ASP 96 Cb 0.56 -1.46 0.20 0.00 -0.72 0.00 0.00 41.12 39.70 2hna n ASP 96 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2hna s THR 97 N -3.76 2.08 0.07 5.18 -4.23 -1.25 -0.87 115.64 112.86 2hna s THR 97 Ca 0.33 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.78 2hna s THR 97 Cb -0.19 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.28 2hna s THR 97 CO 0.93 -0.04 0.18 0.12 -0.54 0.00 0.00 174.62 175.27 2hna s PHE 98 N -2.79 0.13 -1.20 3.99 5.36 -1.25 -4.64 117.98 117.59 2hna s PHE 98 Ca 0.66 -0.49 -0.15 0.00 -0.96 0.00 0.00 56.93 55.99 2hna s PHE 98 Cb -0.21 -0.07 -0.05 0.00 -0.34 0.00 0.00 43.02 42.36 2hna s PHE 98 CO 0.60 -0.49 2.20 0.00 -1.46 0.00 0.00 175.22 176.07 2hna n GLY 100 N 4.15 2.50 0.00 0.00 0.00 -1.26 -5.05 105.19 105.53 2hna n GLY 100 Ca 0.54 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.08 1.91 -0.04 4.61 0.00 -1.26 -3.98 120.51 120.65 2hna n ALA 101 Ca -0.11 -0.07 0.21 0.00 0.00 0.00 0.00 53.44 53.47 2hna n ALA 101 Cb 0.49 -1.20 0.67 0.00 0.00 0.00 0.00 19.45 19.42 2hna n ALA 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2hna h ILE 102 N 0.00 0.72 0.00 0.00 3.07 -1.88 -0.06 117.51 119.36 2hna h ILE 102 Ca 0.00 -0.02 -0.07 0.00 1.55 0.00 0.00 64.86 66.32 2hna h ILE 102 Cb 0.02 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 37.22 2hna h ILE 102 CO 0.00 0.01 -0.34 -0.78 -1.05 0.00 0.00 178.15 175.99 2hna h ASP 103 N 0.05 0.00 0.44 2.16 3.58 -1.79 -3.29 116.42 117.57 2hna h ASP 103 Ca 0.29 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 2hna h ASP 103 Cb 1.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 2hna h ASP 103 CO -0.02 0.34 -0.10 0.11 -2.88 0.00 0.00 179.24 176.69 2hna h LYS 104 N 0.00 0.00 0.47 0.28 1.57 -1.32 -1.74 116.57 115.84 2hna h LYS 104 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2hna h LYS 104 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2hna h LYS 104 CO 0.04 0.10 -0.30 1.25 -0.57 0.00 0.00 179.45 179.98 2hna h LEU 105 N 0.00 -0.75 -0.64 2.94 7.12 -1.73 0.13 115.31 122.39 2hna h LEU 105 Ca -0.00 0.05 -0.15 0.00 0.13 0.00 0.00 57.88 57.91 2hna h LEU 105 Cb 0.35 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 2hna h LEU 105 CO 0.01 -0.46 -0.55 -0.33 -0.13 0.00 0.00 178.44 176.98 2hna h GLU 106 N -0.73 0.38 -0.31 1.25 5.08 -1.73 -2.59 114.58 115.93 2hna h GLU 106 Ca -0.05 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2hna h GLU 106 Cb 0.60 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2hna h GLU 106 CO 0.05 0.83 0.20 0.00 -1.00 0.00 0.00 179.01 179.09 2hna h ALA 107 N 1.12 0.40 -0.54 3.43 0.00 -1.15 -0.74 119.26 121.78 2hna h ALA 107 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2hna h ALA 107 Cb 1.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2hna h ALA 107 CO 0.09 -0.14 -0.00 0.93 0.00 0.00 0.00 179.25 180.13 2hna h GLU 108 N 0.42 0.92 -0.02 0.00 4.39 -0.84 -0.01 114.58 119.43 2hna h GLU 108 Ca 0.12 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2hna h GLU 108 Cb -0.04 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2hna h GLU 108 CO -0.03 0.91 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.64 2hna h LEU 109 N 0.85 -0.08 -0.72 1.33 3.38 -1.11 0.20 115.31 119.17 2hna h LEU 109 Ca 0.16 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2hna h LEU 109 Cb 0.50 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2hna h LEU 109 CO 0.02 -0.04 -0.54 0.07 0.09 0.00 0.00 178.44 178.05 2hna h LYS 110 N -0.04 0.00 -0.50 1.13 2.10 -0.91 -2.08 116.57 116.26 2hna h LYS 110 Ca 0.02 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.59 2hna h LYS 110 Cb 0.06 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.37 2hna h LYS 110 CO -0.04 0.54 -0.02 -0.97 -2.00 0.00 0.00 179.45 176.96 2hna h ASN 111 N 0.00 0.83 -0.09 7.07 -1.24 -0.86 -3.10 115.58 118.19 2hna h ASN 111 Ca -0.01 -0.22 -0.13 0.00 0.71 0.00 0.00 56.30 56.66 2hna h ASN 111 Cb 1.09 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 2hna h ASN 111 CO 0.07 0.91 -0.37 0.28 -1.29 0.00 0.00 177.43 177.02 2hna h SER 112 N 0.79 0.64 0.00 1.15 0.02 -0.37 -3.47 113.55 112.31 2hna h SER 112 Ca 0.15 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2hna h SER 112 Cb 0.50 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2hna h SER 112 CO 0.02 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 2hna n GLY 113 N -0.05 0.13 2.81 -3.77 0.00 -0.84 -3.64 105.19 99.83 2hna n GLY 113 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2hna n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 114 N 0.00 -1.99 -2.79 4.61 0.00 -1.07 -3.96 120.51 115.32 2hna n ALA 114 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 53.44 52.06 2hna n ALA 114 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 2hna n ALA 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2hna s LYS 115 N -5.05 0.45 0.01 0.00 -2.85 -1.25 -4.24 119.74 106.81 2hna s LYS 115 Ca 0.56 -0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 54.51 2hna s LYS 115 Cb -0.04 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 2hna s LYS 115 CO 0.41 -0.09 1.14 -1.14 0.10 0.00 0.00 175.35 175.76 2hna s GLN 116 N -2.15 4.44 0.24 1.78 0.74 -1.26 -0.88 119.66 122.58 2hna s GLN 116 Ca -0.09 1.64 -0.27 0.00 0.05 0.00 0.00 55.36 56.69 2hna s GLN 116 Cb -0.04 -3.44 -0.09 0.00 1.10 0.00 0.00 33.01 30.54 2hna s GLN 116 CO -0.03 -0.26 0.88 0.99 -0.55 0.00 0.00 175.29 176.32 2hna s THR 117 N 1.41 4.23 0.00 -0.34 2.01 0.04 -4.84 115.64 118.14 2hna s THR 117 Ca 0.56 1.84 0.00 0.00 0.31 0.00 0.00 61.69 64.40 2hna s THR 117 Cb -0.26 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.11 2hna s THR 117 CO 0.26 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 2hna n GLY 118 N 1.18 0.92 3.71 4.40 0.00 -1.26 -4.72 105.19 109.41 2hna n GLY 118 Ca -0.02 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 2.10 0.12 1.61 -1.05 -1.26 -5.14 118.70 115.09 2hna s GLU 119 Ca 0.00 -1.51 -0.31 0.00 -0.15 0.00 0.00 54.97 53.00 2hna s GLU 119 Cb 0.00 0.57 -0.07 0.00 -0.44 0.00 0.00 34.13 34.18 2hna s GLU 119 CO 0.00 -0.95 1.31 0.99 0.95 0.00 0.00 175.26 177.56 2hna s THR 120 N -2.65 3.51 0.33 1.83 2.01 -1.26 -4.66 115.64 114.76 2hna s THR 120 Ca 0.20 1.12 -0.20 0.00 0.31 0.00 0.00 61.69 63.12 2hna s THR 120 Cb -0.04 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 2hna s THR 120 CO 0.14 0.11 0.83 -0.22 -0.69 0.00 0.00 174.62 174.79 2hna s LEU 121 N 0.77 4.14 -0.02 4.42 0.20 0.00 -4.98 118.68 123.20 2hna s LEU 121 Ca 0.61 1.53 0.03 0.00 0.69 0.00 0.00 54.13 56.98 2hna s LEU 121 Cb -0.34 -4.10 0.00 0.00 -0.43 0.00 0.00 46.19 41.32 2hna s LEU 121 CO 0.32 -0.18 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.57 2hna s LYS 122 N -2.66 0.98 -0.01 1.98 3.01 -1.26 -0.66 119.74 121.11 2hna s LYS 122 Ca 0.53 -0.33 0.01 0.00 -1.01 0.00 0.00 55.97 55.17 2hna s LYS 122 Cb -0.13 -0.91 0.01 0.00 -1.01 0.00 0.00 37.83 35.79 2hna s LYS 122 CO 0.18 0.14 -0.01 0.96 0.51 0.00 0.00 175.35 177.13 2hna s ILE 123 N 0.10 0.18 0.18 2.17 -5.25 -1.19 -2.99 121.20 114.40 2hna s ILE 123 Ca -0.02 -0.03 -0.24 0.00 -0.99 0.00 0.00 60.65 59.38 2hna s ILE 123 Cb -0.08 -0.20 0.06 0.00 2.95 0.00 0.00 42.46 45.19 2hna s ILE 123 CO 0.00 0.09 0.95 0.20 -1.79 0.00 0.00 174.94 174.39 2hna s ASN 124 N 0.36 -0.15 0.13 4.36 0.02 -1.10 -4.76 114.94 113.80 2hna s ASN 124 Ca -0.03 -0.49 0.02 0.00 -1.02 0.00 0.00 52.86 51.34 2hna s ASN 124 Cb -0.06 0.53 -0.01 0.00 0.02 0.00 0.00 41.25 41.73 2hna s ASN 124 CO -0.01 -0.99 0.08 2.30 0.02 0.00 0.00 177.10 178.51 2hna n ILE 125 N -0.50 0.00 -0.30 0.60 -5.35 -1.26 -3.99 119.36 108.56 2hna n ILE 125 Ca -0.06 -0.84 0.11 0.00 -0.27 0.00 0.00 62.75 61.69 2hna n ILE 125 Cb 0.60 0.38 0.34 0.00 -1.74 0.00 0.00 39.64 39.22 2hna n ILE 125 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2hna h LEU 126 N 0.00 0.73 -5.65 7.28 5.85 -2.03 -2.31 115.31 119.18 2hna h LEU 126 Ca -0.09 0.05 -0.61 0.00 0.84 0.00 0.00 57.88 58.06 2hna h LEU 126 Cb 0.42 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.36 2hna h LEU 126 CO 0.14 0.37 3.09 -0.67 -0.34 0.00 0.00 178.44 181.02 2hna n ASP 127 N -4.59 5.38 -4.65 1.25 2.03 -1.26 -4.95 116.55 109.76 2hna n ASP 127 Ca 0.18 -2.61 -0.29 0.00 0.52 0.00 0.00 54.79 52.59 2hna n ASP 127 Cb 0.45 -1.40 0.17 0.00 -0.72 0.00 0.00 41.12 39.63 2hna n ASP 127 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2hna s HIS 128 N 3.26 1.97 0.26 -0.67 -3.43 -0.87 -5.02 115.29 110.79 2hna s HIS 128 Ca 0.54 1.29 0.00 0.00 -0.80 0.00 0.00 55.06 56.09 2hna s HIS 128 Cb 0.14 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 28.11 2hna s HIS 128 CO -0.03 -2.85 0.00 -0.25 -2.00 0.00 0.00 174.74 169.61 2hna n ASP 129 N -4.20 -1.30 0.04 7.38 8.00 -1.26 -5.02 116.55 120.18 2hna n ASP 129 Ca 0.07 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2hna n ASP 129 Cb 0.55 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 2hna n ASP 129 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2hna n ILE 130 N -3.19 0.13 0.08 0.53 5.41 -1.26 -4.92 119.36 116.15 2hna n ILE 130 Ca 0.00 0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.69 2hna n ILE 130 Cb 0.00 -0.49 -0.06 0.00 -0.71 0.00 0.00 39.64 38.38 2hna n ILE 130 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2hna h PRO 131 N 0.00 0.21 -0.56 0.38 0.13 -1.93 -3.48 132.00 126.75 2hna h PRO 131 Ca 0.00 -0.27 -0.24 0.00 -0.87 0.00 0.00 66.00 64.62 2hna h PRO 131 Cb 0.00 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 31.12 2hna h PRO 131 CO 0.00 1.04 -0.22 0.39 -0.23 0.00 0.00 178.00 178.98 2hna n GLU 132 N -3.60 -0.87 -3.81 0.86 1.02 -1.26 -5.00 120.64 107.98 2hna n GLU 132 Ca -0.05 0.90 -0.12 0.00 -0.02 0.00 0.00 57.16 57.87 2hna n GLU 132 Cb 0.88 -4.92 -0.12 0.00 -0.02 0.00 0.00 31.44 27.25 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2hna s ASP 133 N -2.83 -0.19 0.10 1.62 -1.08 -1.26 -4.93 116.67 108.11 2hna s ASP 133 Ca 0.00 0.36 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 2hna s ASP 133 Cb 0.00 0.36 0.72 0.00 -1.46 0.00 0.00 42.92 42.55 2hna s ASP 133 CO 0.00 -0.06 1.62 -0.81 0.52 0.00 0.00 175.17 176.44 2hna n PRO 134 N 2.99 0.17 -3.66 4.34 -0.04 -1.26 -2.72 135.00 134.82 2hna n PRO 134 Ca -0.13 0.10 -0.25 0.00 -0.04 0.00 0.00 63.50 63.18 2hna n PRO 134 Cb 0.59 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.69 -1.28 0.30 0.55 0.00 -1.16 -4.47 120.51 112.75 2hna n ALA 135 Ca 0.05 -0.22 0.18 0.00 0.00 0.00 0.00 53.44 53.45 2hna n ALA 135 Cb 0.40 -1.09 0.94 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.76 0.00 0.00 0.00 4.11 -1.93 -1.24 114.58 114.76 2hna h GLU 136 Ca -0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.98 2hna h GLU 136 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2hna h GLU 136 CO 0.54 0.04 -0.08 0.93 0.07 0.00 0.00 179.01 180.51 2hna h GLU 137 N 0.00 0.00 0.45 1.06 4.39 -1.99 -2.65 114.58 115.84 2hna h GLU 137 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2hna h GLU 137 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2hna h GLU 137 CO 0.00 0.08 -0.41 2.35 -1.16 0.00 0.00 179.01 179.87 2hna h TRP 138 N 0.00 -1.13 -0.14 4.33 7.01 -1.60 -1.00 115.95 123.43 2hna h TRP 138 Ca -0.00 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.05 2hna h TRP 138 Cb 0.15 0.43 -0.06 0.00 -2.10 0.00 0.00 29.16 27.59 2hna h TRP 138 CO 0.00 -0.58 -0.22 1.25 -2.79 0.00 0.00 178.44 176.10 2hna h LEU 139 N -0.87 -0.68 0.30 0.65 5.85 -1.63 0.11 115.31 119.04 2hna h LEU 139 Ca -0.04 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2hna h LEU 139 Cb 0.76 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2hna h LEU 139 CO -0.04 -0.27 -0.14 1.23 -0.34 0.00 0.00 178.44 178.87 2hna h GLY 140 N -0.27 -0.42 0.91 3.75 0.00 -1.47 -1.44 103.07 104.12 2hna h GLY 140 Ca 0.10 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2hna h GLY 140 CO -0.30 -0.15 0.08 0.23 0.00 0.00 0.00 176.54 176.39 2hna h SER 141 N -0.45 0.52 -0.78 0.19 0.87 -0.91 -1.24 113.55 111.73 2hna h SER 141 Ca -0.04 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 2hna h SER 141 Cb 0.34 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2hna h SER 141 CO 0.07 0.62 0.43 -0.25 -0.53 0.00 0.00 176.83 177.16 2hna h TRP 142 N 0.39 1.08 -0.18 2.24 7.01 -0.76 0.39 115.95 126.11 2hna h TRP 142 Ca 0.11 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2hna h TRP 142 Cb 0.31 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 2hna h TRP 142 CO 0.02 0.75 0.09 0.28 -2.79 0.00 0.00 178.44 176.79 2hna h VAL 143 N 1.09 1.00 0.00 2.65 2.07 -1.05 -0.53 116.25 121.48 2hna h VAL 143 Ca 0.28 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 2hna h VAL 143 Cb 0.03 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2hna h VAL 143 CO -0.04 0.04 -0.11 0.78 0.02 0.00 0.00 177.57 178.25 2hna h ASN 144 N 0.19 0.00 0.08 0.57 2.35 -0.31 -1.00 115.58 117.46 2hna h ASN 144 Ca 0.07 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 2hna h ASN 144 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.39 2hna h ASN 144 CO -0.04 0.11 -0.57 -0.07 -1.65 0.00 0.00 177.43 175.20 2hna h LEU 145 N 0.00 0.37 -0.57 1.61 4.07 -0.50 -3.34 115.31 116.96 2hna h LEU 145 Ca -0.00 -0.91 -0.16 0.00 0.08 0.00 0.00 57.88 56.89 2hna h LEU 145 Cb 0.21 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 2hna h LEU 145 CO 0.01 1.25 -0.67 0.17 -1.08 0.00 0.00 178.44 178.12 2hna h LEU 146 N -0.45 0.24 0.00 1.67 8.10 -0.93 -3.51 115.31 120.43 2hna h LEU 146 Ca -0.09 -0.15 0.00 0.00 0.11 0.00 0.00 57.88 57.74 2hna h LEU 146 Cb 1.40 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.55 2hna h LEU 146 CO 0.11 0.84 0.00 0.29 -4.11 0.00 0.00 178.44 175.57