#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 -0.54 -0.13 -5.12 0.00 -1.26 -4.65 121.76 110.06 2hna s ALA 2 Ca 0.00 -0.48 0.19 0.00 0.00 0.00 0.00 51.96 51.67 2hna s ALA 2 Cb 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 23.12 23.76 2hna s ALA 2 CO 0.00 -0.71 0.68 -3.47 0.00 0.00 0.00 175.76 172.27 2hna n ASP 3 N -0.26 0.57 -3.84 0.00 2.03 0.62 -4.92 116.55 110.76 2hna n ASP 3 Ca -0.10 0.24 -0.22 0.00 0.52 0.00 0.00 54.79 55.23 2hna n ASP 3 Cb 0.63 0.67 -0.17 0.00 -0.72 0.00 0.00 41.12 41.53 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 -3.04 0.51 -0.00 5.18 1.01 -1.13 -3.52 121.20 120.20 2hna s ILE 4 Ca -0.05 -0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 2hna s ILE 4 Cb 0.09 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 2hna s ILE 4 CO 0.83 0.26 0.73 0.28 0.00 0.00 0.00 174.94 177.03 2hna s THR 5 N 1.48 4.87 -0.63 2.92 -1.32 -1.18 -1.19 115.64 120.59 2hna s THR 5 Ca -0.02 1.53 -0.05 0.00 -1.21 0.00 0.00 61.69 61.93 2hna s THR 5 Cb -0.13 -4.07 0.16 0.00 -1.51 0.00 0.00 72.50 66.95 2hna s THR 5 CO -0.03 0.33 0.47 -0.76 -2.21 0.00 0.00 174.62 172.42 2hna s LEU 6 N 0.25 5.56 -0.41 9.08 1.02 -0.06 -1.19 118.68 132.94 2hna s LEU 6 Ca 0.38 -2.68 -0.29 0.00 0.02 0.00 0.00 54.13 51.56 2hna s LEU 6 Cb -0.19 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.10 2hna s LEU 6 CO 0.21 -0.45 1.24 -0.63 0.02 0.00 0.00 176.35 176.74 2hna s ILE 7 N 0.20 4.14 0.00 -0.59 1.01 0.13 -2.03 121.20 124.06 2hna s ILE 7 Ca 0.15 1.20 0.00 0.00 0.00 0.00 0.00 60.65 62.00 2hna s ILE 7 Cb -0.19 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.89 2hna s ILE 7 CO -0.04 -0.79 0.00 -1.20 0.00 0.00 0.00 174.94 172.91 2hna n SER 8 N 8.00 1.22 -0.39 3.58 7.64 0.31 -1.13 113.62 132.86 2hna n SER 8 Ca 0.14 -0.27 -0.04 0.00 1.01 0.00 0.00 58.87 59.71 2hna n SER 8 Cb 0.48 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2hna n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hna n GLY 9 N 3.04 0.27 0.23 0.23 0.00 -1.26 -3.31 105.19 104.39 2hna n GLY 9 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 1.33 -0.19 -2.62 1.61 7.64 -0.83 -0.87 113.62 119.71 2hna n SER 10 Ca -0.04 1.11 -0.22 0.00 1.01 0.00 0.00 58.87 60.72 2hna n SER 10 Cb 0.49 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2hna n SER 10 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2hna n THR 11 N -4.99 2.00 -2.57 0.44 -2.24 -1.26 -2.52 114.28 103.14 2hna n THR 11 Ca 0.12 -4.55 -0.20 0.00 -2.27 0.00 0.00 64.05 57.15 2hna n THR 11 Cb 0.38 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2hna n LEU 12 N -0.31 -2.01 0.00 3.22 7.94 -0.05 -4.89 117.00 120.90 2hna n LEU 12 Ca 0.30 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2hna n LEU 12 Cb 0.67 -2.85 0.00 0.00 0.53 0.00 0.00 43.42 41.77 2hna n LEU 12 CO 0.31 -0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.10 2hna n GLY 13 N -1.11 2.64 0.00 -3.96 0.00 -0.88 -5.02 105.19 96.86 2hna n GLY 13 Ca -0.20 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.71 1.15 1.64 -0.02 0.00 -1.26 -1.96 105.19 104.03 2hna n GLY 14 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.00 3.91 0.00 4.61 0.00 -1.26 -4.65 120.51 120.12 2hna n ALA 15 Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.35 2hna n ALA 15 Cb 0.00 -1.30 0.56 0.00 0.00 0.00 0.00 19.45 18.71 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 1.70 0.24 -0.71 0.00 3.07 -1.96 -0.05 114.58 116.88 2hna h GLU 16 Ca 0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2hna h GLU 16 Cb 0.92 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 2hna h GLU 16 CO 0.04 0.16 0.42 -0.92 -1.40 0.00 0.00 179.01 177.31 2hna h TYR 17 N 0.25 0.94 -0.19 4.33 3.20 -2.00 0.70 116.97 124.20 2hna h TYR 17 Ca 0.21 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.87 2hna h TYR 17 Cb 0.51 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.48 2hna h TYR 17 CO -0.00 0.63 -0.70 0.28 -1.64 0.00 0.00 178.16 176.73 2hna h VAL 18 N 0.97 1.28 -1.00 1.81 2.07 -1.46 -2.55 116.25 117.37 2hna h VAL 18 Ca 0.25 -1.90 0.03 0.00 0.82 0.00 0.00 66.70 65.90 2hna h VAL 18 Cb -0.03 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 2hna h VAL 18 CO -0.05 0.61 0.66 0.00 0.02 0.00 0.00 177.57 178.81 2hna h ALA 19 N 0.62 1.33 -0.62 1.67 0.00 -0.82 0.19 119.26 121.62 2hna h ALA 19 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2hna h ALA 19 Cb 1.32 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2hna h ALA 19 CO 0.15 0.59 0.07 1.49 0.00 0.00 0.00 179.25 181.55 2hna h GLU 20 N 1.30 1.06 -0.39 0.00 4.81 -0.75 0.39 114.58 120.99 2hna h GLU 20 Ca 0.39 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2hna h GLU 20 Cb -0.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2hna h GLU 20 CO -0.11 1.00 0.12 1.25 -0.73 0.00 0.00 179.01 180.54 2hna h HIS 21 N 0.97 0.64 -0.05 0.92 2.76 -0.98 -1.34 115.15 118.07 2hna h HIS 21 Ca 0.19 -0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2hna h HIS 21 Cb 0.48 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2hna h HIS 21 CO 0.04 0.60 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.18 2hna h LEU 22 N 0.49 -0.05 -0.55 0.26 3.38 -0.78 -1.85 115.31 116.21 2hna h LEU 22 Ca 0.13 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2hna h LEU 22 Cb 0.27 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 2hna h LEU 22 CO -0.00 -0.02 0.05 0.00 0.09 0.00 0.00 178.44 178.56 2hna h ALA 23 N 1.05 0.58 0.11 1.53 0.00 -0.83 -1.05 119.26 120.65 2hna h ALA 23 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2hna h ALA 23 Cb 0.04 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2hna h ALA 23 CO -0.06 -0.35 -0.16 1.49 0.00 0.00 0.00 179.25 180.17 2hna h GLU 24 N 0.17 -0.31 -0.95 0.00 4.57 -0.73 -0.26 114.58 117.08 2hna h GLU 24 Ca 0.28 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.58 2hna h GLU 24 Cb 0.43 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 2hna h GLU 24 CO -0.42 -0.21 0.61 0.87 -1.18 0.00 0.00 179.01 178.68 2hna h LYS 25 N -0.33 0.97 0.00 1.92 1.79 -1.01 -1.20 116.57 118.72 2hna h LYS 25 Ca 0.02 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 2hna h LYS 25 Cb 0.34 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2hna h LYS 25 CO -0.08 0.64 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.43 2hna h LEU 26 N 1.00 0.00 -0.38 2.94 3.38 -0.54 -1.18 115.31 120.53 2hna h LEU 26 Ca 0.43 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.23 2hna h LEU 26 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2hna h LEU 26 CO -0.19 0.43 -0.53 -0.33 0.09 0.00 0.00 178.44 177.91 2hna h GLU 27 N 0.00 0.78 0.00 1.13 5.08 -0.06 -2.80 114.58 118.72 2hna h GLU 27 Ca -0.00 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2hna h GLU 27 Cb 1.01 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2hna h GLU 27 CO 0.06 1.11 -0.07 0.93 -1.00 0.00 0.00 179.01 180.04 2hna h GLU 28 N 0.61 0.00 0.00 2.33 4.39 -0.98 -0.93 114.58 120.00 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 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2hna h GLU 28 CO 0.11 0.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.03 2hna n ALA 29 N -2.35 1.81 0.00 3.43 0.00 -0.47 -4.87 120.51 118.06 2hna n ALA 29 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2hna n ALA 29 Cb 0.16 -1.27 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 0.19 1.61 0.00 0.00 0.00 -0.36 -5.08 105.19 101.55 2hna n GLY 30 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.03 0.00 -4.26 1.61 3.72 -1.20 -5.06 117.46 111.23 2hna n PHE 31 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 2hna n PHE 31 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 2hna n PHE 31 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2hna s THR 32 N -1.30 1.35 0.04 4.37 -4.23 -1.26 -4.32 115.64 110.28 2hna s THR 32 Ca 0.00 -1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2hna s THR 32 Cb 0.00 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 2hna s THR 32 CO 0.00 -0.11 0.02 0.42 -0.54 0.00 0.00 174.62 174.41 2hna s THR 33 N -1.15 0.15 -0.42 3.99 -4.23 -1.26 -0.28 115.64 112.45 2hna s THR 33 Ca 0.02 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 2hna s THR 33 Cb -0.10 -0.88 0.12 0.00 1.34 0.00 0.00 72.50 72.98 2hna s THR 33 CO 0.03 -0.68 0.16 -0.70 -0.54 0.00 0.00 174.62 172.88 2hna s GLU 34 N -2.64 1.54 -0.06 3.99 2.56 -0.33 -4.85 118.70 118.91 2hna s GLU 34 Ca -0.05 -2.07 -0.30 0.00 0.00 0.00 0.00 54.97 52.55 2hna s GLU 34 Cb -0.01 -2.98 -0.05 0.00 2.00 0.00 0.00 34.13 33.09 2hna s GLU 34 CO -0.05 -1.04 1.56 0.99 -0.56 0.00 0.00 175.26 176.16 2hna s THR 35 N 0.48 3.68 -0.05 -1.70 2.01 -1.26 -0.88 115.64 117.92 2hna s THR 35 Ca 0.14 0.88 -0.08 0.00 0.31 0.00 0.00 61.69 62.94 2hna s THR 35 Cb -0.22 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2hna s THR 35 CO -0.06 -0.06 0.19 -0.76 -0.69 0.00 0.00 174.62 173.24 2hna s LEU 36 N 3.68 1.30 -0.22 4.42 1.43 -0.86 -4.96 118.68 123.47 2hna s LEU 36 Ca 0.69 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2hna s LEU 36 Cb -0.31 0.73 0.25 0.00 0.03 0.00 0.00 46.19 46.88 2hna s LEU 36 CO 0.27 -0.18 1.59 0.00 0.23 0.00 0.00 176.35 178.25 2hna n HIS 37 N 2.41 1.30 -3.94 0.29 1.44 -1.26 -0.53 115.22 114.94 2hna n HIS 37 Ca -0.16 -1.31 -0.34 0.00 -2.01 0.00 0.00 57.72 53.90 2hna n HIS 37 Cb 0.58 -0.66 0.00 0.00 0.12 0.00 0.00 29.99 30.03 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 0.04 -0.62 0.31 -1.39 0.00 -1.21 -4.56 105.19 97.76 2hna n GLY 38 Ca 0.25 0.30 0.20 0.00 0.00 0.00 0.00 46.02 46.78 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 -2.06 0.00 0.00 1.61 0.13 -1.93 -1.72 132.00 128.04 2hna h PRO 39 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 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 0.56 0.01 -0.07 1.28 -0.23 0.00 0.00 178.00 179.55 2hna n LEU 40 N -3.14 1.87 0.00 1.56 4.77 -1.26 -4.99 117.00 115.81 2hna n LEU 40 Ca -0.02 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 2hna n LEU 40 Cb 0.16 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2hna n LEU 40 CO 0.23 0.58 0.00 -0.11 -1.33 0.00 0.00 177.39 176.77 2hna n LEU 41 N -1.03 0.00 -2.99 2.23 7.94 -0.65 -4.51 117.00 117.99 2hna n LEU 41 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2hna n LEU 41 Cb 0.58 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.53 2hna n LEU 41 CO 0.01 0.00 0.22 -1.83 -1.11 0.00 0.00 177.39 174.68 2hna s GLU 42 N 0.00 0.64 0.18 1.96 -1.05 -1.26 -4.89 118.70 114.28 2hna s GLU 42 Ca 0.00 -0.31 -0.11 0.00 -0.15 0.00 0.00 54.97 54.41 2hna s GLU 42 Cb 0.00 0.05 0.08 0.00 -0.44 0.00 0.00 34.13 33.83 2hna s GLU 42 CO 0.00 -0.89 1.71 0.22 0.95 0.00 0.00 175.26 177.25 2hna h ASP 43 N 6.11 0.93 -3.54 0.83 3.58 -1.96 -3.41 116.42 118.97 2hna h ASP 43 Ca 0.02 -0.21 -0.52 0.00 0.42 0.00 0.00 57.03 56.74 2hna h ASP 43 Cb 1.18 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 2hna h ASP 43 CO 0.03 0.90 -0.04 -0.76 -2.88 0.00 0.00 179.24 176.48 2hna s LEU 44 N -9.62 4.13 0.00 2.28 1.43 -1.26 -5.09 118.68 110.55 2hna s LEU 44 Ca -0.12 1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.89 2hna s LEU 44 Cb 0.13 -3.82 0.19 0.00 0.03 0.00 0.00 46.19 42.72 2hna s LEU 44 CO 0.82 -0.12 0.63 -0.81 0.23 0.00 0.00 176.35 177.10 2hna n PRO 45 N -0.22 -2.52 -0.10 1.29 -0.04 -1.26 -4.86 135.00 127.28 2hna n PRO 45 Ca 0.02 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2hna n PRO 45 Cb 0.53 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -4.21 2.38 -3.62 0.55 0.00 -1.26 -4.59 120.51 109.77 2hna n ALA 46 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 2hna n ALA 46 Cb 0.35 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 1.35 -0.80 0.00 0.00 0.01 -1.26 -4.21 113.70 108.79 2hna s SER 47 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2hna s SER 47 Cb 0.00 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.56 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 3.59 0.25 3.10 3.44 0.00 -1.18 -4.94 105.19 109.45 2hna n GLY 48 Ca -0.18 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.43 1.09 0.13 -0.61 1.01 -1.23 -3.23 121.20 116.93 2hna s ILE 49 Ca 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.15 2hna s ILE 49 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2hna s ILE 49 CO 0.00 0.30 -0.22 0.26 0.00 0.00 0.00 174.94 175.29 2hna s TRP 50 N -0.33 1.97 0.01 3.97 0.52 -0.25 -3.08 118.94 121.75 2hna s TRP 50 Ca 0.05 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.77 2hna s TRP 50 Cb -0.05 -1.04 -0.01 0.00 -1.15 0.00 0.00 33.47 31.22 2hna s TRP 50 CO -0.01 0.30 -0.04 -0.51 0.02 0.00 0.00 176.95 176.72 2hna s LEU 51 N -2.22 2.07 -0.07 2.99 1.43 -0.33 -2.63 118.68 119.92 2hna s LEU 51 Ca 0.12 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2hna s LEU 51 Cb -0.09 -0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.03 2hna s LEU 51 CO 0.06 -0.04 -0.09 0.54 0.23 0.00 0.00 176.35 177.05 2hna s VAL 52 N -0.43 0.94 -0.26 -1.59 0.11 -0.55 -0.69 120.40 117.93 2hna s VAL 52 Ca -0.03 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2hna s VAL 52 Cb -0.03 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 33.97 2hna s VAL 52 CO -0.00 0.33 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.41 2hna s ILE 53 N 1.04 1.81 0.00 7.04 1.09 -0.28 -0.98 121.20 130.91 2hna s ILE 53 Ca -0.08 -1.51 0.00 0.00 -1.10 0.00 0.00 60.65 57.95 2hna s ILE 53 Cb -0.15 -2.06 0.00 0.00 -1.06 0.00 0.00 42.46 39.19 2hna s ILE 53 CO -0.00 -0.17 0.00 -1.20 -0.10 0.00 0.00 174.94 173.47 2hna n SER 54 N 4.55 0.00 -2.83 3.58 7.64 -0.64 -4.44 113.62 121.48 2hna n SER 54 Ca -0.10 -0.69 -0.11 0.00 1.01 0.00 0.00 58.87 58.98 2hna n SER 54 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 2hna n SER 54 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2hna n SER 55 N -1.67 -2.11 -0.13 6.43 3.41 -1.26 -2.25 113.62 116.04 2hna n SER 55 Ca 0.00 -3.35 -0.02 0.00 -0.26 0.00 0.00 58.87 55.25 2hna n SER 55 Cb 0.00 1.41 0.22 0.00 -0.26 0.00 0.00 64.21 65.58 2hna n SER 55 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2hna h THR 56 N 2.74 1.21 -0.39 6.66 1.35 -1.89 0.57 112.91 123.16 2hna h THR 56 Ca -0.09 -0.71 -0.06 0.00 -0.55 0.00 0.00 66.41 65.00 2hna h THR 56 Cb 1.03 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 2hna h THR 56 CO 0.29 0.27 0.02 -0.74 -0.25 0.00 0.00 175.52 175.12 2hna h HIS 57 N 0.81 0.73 0.09 4.73 6.17 -1.89 -2.02 115.15 123.75 2hna h HIS 57 Ca 0.19 -0.12 -0.27 0.00 0.71 0.00 0.00 60.37 60.88 2hna h HIS 57 Cb 0.21 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 2hna h HIS 57 CO 0.01 0.74 -1.30 0.78 0.71 0.00 0.00 177.93 178.87 2hna h GLY 58 N 0.50 0.21 -3.62 5.26 0.00 -1.61 -3.40 103.07 100.41 2hna h GLY 58 Ca 0.11 -0.53 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 2hna h GLY 58 CO 0.02 0.46 -0.75 0.00 0.00 0.00 0.00 176.54 176.27 2hna n ALA 59 N -2.53 2.85 -1.52 3.60 0.00 0.14 -5.12 120.51 117.92 2hna n ALA 59 Ca -0.09 -1.81 -0.40 0.00 0.00 0.00 0.00 53.44 51.13 2hna n ALA 59 Cb 1.01 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.20 -1.00 3.41 0.00 0.00 -0.76 -4.73 105.19 101.91 2hna n GLY 60 Ca -0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.03 0.03 0.18 1.61 2.15 -0.60 -4.88 116.67 114.14 2hna s ASP 61 Ca 0.67 -1.15 -0.15 0.00 0.43 0.00 0.00 52.55 52.35 2hna s ASP 61 Cb -0.51 0.49 0.15 0.00 -0.30 0.00 0.00 42.92 42.76 2hna s ASP 61 CO 0.55 -1.00 1.66 0.40 -0.17 0.00 0.00 175.17 176.60 2hna h ILE 62 N 2.42 0.53 0.50 4.11 1.08 -1.94 -2.44 117.51 121.77 2hna h ILE 62 Ca -0.31 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2hna h ILE 62 Cb 1.25 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 2hna h ILE 62 CO 0.43 0.00 -0.24 1.55 -0.69 0.00 0.00 178.15 179.21 2hna h PRO 63 N 0.02 -0.65 0.00 2.37 0.13 -1.94 -3.47 132.00 128.46 2hna h PRO 63 Ca 0.24 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 2hna h PRO 63 Cb 0.36 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2hna h PRO 63 CO -0.48 -0.36 0.00 -3.47 -0.23 0.00 0.00 178.00 173.45 2hna n ASP 64 N -5.32 -0.31 0.06 1.44 2.03 -0.92 -4.97 116.55 108.57 2hna n ASP 64 Ca -0.11 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2hna n ASP 64 Cb 0.31 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 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 -2.40 -1.14 -4.75 1.67 4.05 -1.25 -1.56 115.26 109.87 2hna n ASN 65 Ca 0.00 0.41 -0.41 0.00 0.45 0.00 0.00 54.58 55.03 2hna n ASN 65 Cb 0.00 1.31 -0.03 0.00 1.23 0.00 0.00 39.78 42.29 2hna n ASN 65 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2hna s LEU 66 N -5.61 4.45 -0.10 1.20 1.02 -1.26 -4.54 118.68 113.85 2hna s LEU 66 Ca 0.00 2.41 -0.06 0.00 0.02 0.00 0.00 54.13 56.51 2hna s LEU 66 Cb 0.00 -3.62 -0.02 0.00 0.02 0.00 0.00 46.19 42.57 2hna s LEU 66 CO 0.00 -0.42 -0.11 0.77 0.02 0.00 0.00 176.35 176.61 2hna h SER 67 N 4.55 0.00 -0.09 2.29 4.64 -1.87 -3.36 113.55 119.71 2hna h SER 67 Ca -0.46 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.62 2hna h SER 67 Cb 1.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2hna h SER 67 CO 0.72 0.51 -0.88 1.55 -0.87 0.00 0.00 176.83 177.86 2hna h PRO 68 N -0.71 0.76 -0.31 4.77 0.13 -1.95 -3.30 132.00 131.39 2hna h PRO 68 Ca 0.00 -0.68 -0.02 0.00 -0.87 0.00 0.00 66.00 64.43 2hna h PRO 68 Cb 0.31 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2hna h PRO 68 CO 0.00 1.28 0.11 0.74 -0.23 0.00 0.00 178.00 179.90 2hna h PHE 69 N 0.49 0.48 -0.14 1.56 0.04 -1.84 -0.56 116.94 116.97 2hna h PHE 69 Ca -0.08 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 2hna h PHE 69 Cb 1.51 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.52 2hna h PHE 69 CO 0.09 0.47 0.08 -0.92 -0.60 0.00 0.00 178.31 177.44 2hna h TYR 70 N 0.35 0.18 -0.36 -0.55 3.20 -1.71 0.13 116.97 118.21 2hna h TYR 70 Ca 0.10 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2hna h TYR 70 Cb 0.20 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2hna h TYR 70 CO -0.00 0.16 0.18 0.93 -1.64 0.00 0.00 178.16 177.78 2hna h GLU 71 N 0.16 0.52 -0.56 1.82 5.08 -1.59 -2.35 114.58 117.66 2hna h GLU 71 Ca 0.05 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2hna h GLU 71 Cb 0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2hna h GLU 71 CO -0.01 0.47 0.29 0.00 -1.00 0.00 0.00 179.01 178.75 2hna h ALA 72 N 1.03 1.45 0.57 3.43 0.00 -0.82 -1.40 119.26 123.52 2hna h ALA 72 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2hna h ALA 72 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2hna h ALA 72 CO -0.02 0.44 -0.28 -0.07 0.00 0.00 0.00 179.25 179.33 2hna h LEU 73 N 0.78 -0.66 -2.09 0.00 3.38 -0.34 -2.73 115.31 113.66 2hna h LEU 73 Ca 0.20 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2hna h LEU 73 Cb 0.05 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2hna h LEU 73 CO -0.03 -0.47 -0.05 1.56 0.09 0.00 0.00 178.44 179.54 2hna h GLN 74 N -0.77 0.00 -0.05 1.13 4.20 -1.14 0.26 115.11 118.74 2hna h GLN 74 Ca -0.08 0.00 -0.10 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 28.36 2hna h GLN 74 CO 0.12 0.05 -0.44 1.49 -0.67 0.00 0.00 178.83 179.38 2hna h GLU 75 N 0.00 0.12 0.00 1.46 4.81 -0.95 -3.36 114.58 116.66 2hna h GLU 75 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2hna h GLU 75 Cb 0.10 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2hna h GLU 75 CO 0.01 0.55 -0.88 0.00 -0.73 0.00 0.00 179.01 177.95 2hna n GLN 76 N -4.00 2.19 -3.64 1.92 10.64 -1.03 -5.07 117.38 118.40 2hna n GLN 76 Ca -0.02 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.96 2hna n GLN 76 Cb 0.49 -0.94 0.01 0.00 -0.86 0.00 0.00 30.24 28.93 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 -0.68 -0.81 2.61 5.02 0.89 -4.85 118.16 118.76 2hna n LYS 77 Ca 0.00 -0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 55.95 2hna n LYS 77 Cb 0.23 -0.80 0.18 0.00 -0.02 0.00 0.00 35.03 34.63 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 -5.26 0.49 -1.36 1.97 0.04 -1.26 -4.83 135.00 124.79 2hna s PRO 78 Ca 0.16 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2hna s PRO 78 Cb -0.09 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2hna s PRO 78 CO 0.45 -2.85 2.45 -3.47 0.04 0.00 0.00 177.00 173.63 2hna n ASP 79 N -4.34 5.66 0.00 6.66 2.03 -1.26 -4.29 116.55 121.01 2hna n ASP 79 Ca 0.07 -2.65 0.01 0.00 0.52 0.00 0.00 54.79 52.75 2hna n ASP 79 Cb 0.54 -1.47 0.06 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 5.08 0.00 0.00 -2.67 7.99 -1.24 -3.99 117.00 122.16 2hna n LEU 80 Ca 0.61 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.62 2hna n LEU 80 Cb 0.30 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.66 2hna n LEU 80 CO 0.88 0.00 0.45 -1.20 -1.51 0.00 0.00 177.39 176.01 2hna n SER 81 N -0.55 0.00 -0.45 -1.43 7.64 -1.24 -0.69 113.62 116.91 2hna n SER 81 Ca 0.01 0.29 0.04 0.00 1.01 0.00 0.00 58.87 60.23 2hna n SER 81 Cb 0.01 -0.32 0.11 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.32 2.15 -2.58 -0.43 0.00 -1.26 -4.98 120.51 112.09 2hna n ALA 82 Ca 0.01 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 52.15 2hna n ALA 82 Cb 0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.07 0.90 0.08 0.00 0.11 0.14 -3.13 120.40 117.43 2hna s VAL 83 Ca 0.17 -1.50 0.02 0.00 -2.93 0.00 0.00 61.98 57.74 2hna s VAL 83 Cb 0.09 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2hna s VAL 83 CO 0.11 -0.48 0.13 0.00 -3.33 0.00 0.00 175.10 171.53 2hna s ARG 84 N -2.43 3.08 0.24 1.54 1.70 -1.20 -2.83 118.95 119.05 2hna s ARG 84 Ca 0.02 -0.62 0.10 0.00 -0.47 0.00 0.00 55.73 54.76 2hna s ARG 84 Cb -0.05 -2.83 -0.05 0.00 -0.57 0.00 0.00 34.95 31.45 2hna s ARG 84 CO 0.00 0.57 -0.18 -0.59 -1.08 0.00 0.00 175.30 174.02 2hna s PHE 85 N -1.46 2.06 -0.00 5.89 -0.71 -0.24 -1.09 117.98 122.43 2hna s PHE 85 Ca 0.31 -0.42 0.01 0.00 -1.04 0.00 0.00 56.93 55.79 2hna s PHE 85 Cb -0.12 -0.93 -0.00 0.00 -1.21 0.00 0.00 43.02 40.75 2hna s PHE 85 CO 0.24 0.55 -0.04 0.20 -1.34 0.00 0.00 175.22 174.83 2hna s GLY 86 N -3.29 0.20 -0.04 1.99 0.00 -1.08 -1.86 107.32 103.24 2hna s GLY 86 Ca 0.25 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.80 2hna s GLY 86 CO 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 173.10 172.98 2hna s ALA 87 N -0.14 3.01 -0.00 3.20 0.00 -1.26 -1.48 121.76 125.08 2hna s ALA 87 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2hna s ALA 87 Cb -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2hna s ALA 87 CO -0.00 0.59 -0.01 0.42 0.00 0.00 0.00 175.76 176.76 2hna s ILE 88 N -0.89 0.09 0.00 0.00 1.01 -0.15 -0.59 121.20 120.67 2hna s ILE 88 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2hna s ILE 88 Cb -0.11 -0.09 0.00 0.00 0.01 0.00 0.00 42.46 42.26 2hna s ILE 88 CO 0.04 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2hna n GLY 89 N 3.18 2.38 3.64 6.18 0.00 0.05 -1.62 105.19 119.00 2hna n GLY 89 Ca -0.14 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.37 2hna n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hna n ILE 90 N 0.00 0.11 0.63 -0.61 5.41 -0.95 -4.50 119.36 119.44 2hna n ILE 90 Ca 0.00 -0.02 0.11 0.00 1.00 0.00 0.00 62.75 63.84 2hna n ILE 90 Cb 0.00 -1.17 -0.10 0.00 -0.71 0.00 0.00 39.64 37.66 2hna n ILE 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hna n GLY 91 N 3.22 -1.05 0.47 7.39 0.00 -1.26 -4.70 105.19 109.26 2hna n GLY 91 Ca 0.20 -0.53 0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 1.24 1.61 0.02 -1.84 0.35 113.55 114.93 2hna h SER 92 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2hna h SER 92 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2hna h SER 92 CO 0.00 0.00 -0.05 -0.09 -1.14 0.00 0.00 176.83 175.55 2hna h ARG 93 N 0.00 0.00 0.00 3.45 2.43 -1.95 -3.39 114.38 114.92 2hna h ARG 93 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2hna h ARG 93 Cb 1.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 2hna h ARG 93 CO -0.00 0.05 0.00 0.39 -1.51 0.00 0.00 179.97 178.89 2hna n GLU 94 N -3.14 3.87 -4.26 0.20 1.02 -0.50 -5.12 120.64 112.70 2hna n GLU 94 Ca 0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 2hna n GLU 94 Cb 0.39 -0.48 -0.11 0.00 -0.02 0.00 0.00 31.44 31.22 2hna n GLU 94 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2hna s TYR 95 N -0.32 1.49 -1.30 -0.32 2.02 -0.01 -4.83 117.35 114.08 2hna s TYR 95 Ca 0.00 -0.55 -0.09 0.00 -0.37 0.00 0.00 57.07 56.06 2hna s TYR 95 Cb 0.00 -0.76 0.07 0.00 -0.40 0.00 0.00 41.96 40.87 2hna s TYR 95 CO 0.00 0.19 0.50 -3.47 -1.57 0.00 0.00 175.55 171.19 2hna n ASP 96 N 0.41 -3.75 -0.06 2.29 2.03 -1.26 -3.97 116.55 112.24 2hna n ASP 96 Ca -0.14 -0.40 0.09 0.00 0.52 0.00 0.00 54.79 54.85 2hna n ASP 96 Cb 0.57 -3.10 0.12 0.00 -0.72 0.00 0.00 41.12 38.00 2hna n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2hna n THR 97 N -3.96 1.78 0.20 5.18 -2.24 -1.26 -4.69 114.28 109.30 2hna n THR 97 Ca -0.01 -2.12 0.07 0.00 -2.27 0.00 0.00 64.05 59.72 2hna n THR 97 Cb 0.54 -0.15 0.39 0.00 -2.10 0.00 0.00 70.33 69.01 2hna n THR 97 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2hna h PHE 98 N 0.01 0.00 0.00 4.78 0.04 -1.96 -3.34 116.94 116.47 2hna h PHE 98 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2hna h PHE 98 Cb 0.94 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.99 2hna h PHE 98 CO 0.00 0.33 -0.45 0.00 -0.60 0.00 0.00 178.31 177.59 2hna n GLY 100 N 0.11 0.43 2.96 0.00 0.00 -1.25 -5.18 105.19 102.25 2hna n GLY 100 Ca -0.03 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna s ALA 101 N -1.27 0.31 0.00 4.61 0.00 -1.26 -4.44 121.76 119.71 2hna s ALA 101 Ca 0.08 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.79 2hna s ALA 101 Cb -0.00 -0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.25 2hna s ALA 101 CO -0.00 0.01 0.99 0.44 0.00 0.00 0.00 175.76 177.19 2hna n ILE 102 N 2.45 0.00 -0.24 0.00 -5.35 -1.26 -4.90 119.36 110.06 2hna n ILE 102 Ca -0.16 -0.32 0.08 0.00 -0.27 0.00 0.00 62.75 62.08 2hna n ILE 102 Cb 0.57 0.59 0.22 0.00 -1.74 0.00 0.00 39.64 39.29 2hna n ILE 102 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2hna n ASP 103 N 0.16 3.35 0.21 7.28 5.75 -1.26 -4.69 116.55 127.34 2hna n ASP 103 Ca -0.01 -2.00 0.05 0.00 -0.01 0.00 0.00 54.79 52.82 2hna n ASP 103 Cb 0.82 -0.34 0.45 0.00 -1.03 0.00 0.00 41.12 41.02 2hna n ASP 103 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2hna h LYS 104 N 2.98 0.00 0.21 0.11 1.57 -1.93 -1.47 116.57 118.03 2hna h LYS 104 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2hna h LYS 104 Cb 0.84 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 2hna h LYS 104 CO 0.00 0.28 -0.40 1.25 -0.57 0.00 0.00 179.45 180.01 2hna h LEU 105 N 0.00 -1.15 -0.74 2.94 7.12 -1.94 -0.33 115.31 121.21 2hna h LEU 105 Ca -0.00 0.12 -0.05 0.00 0.13 0.00 0.00 57.88 58.08 2hna h LEU 105 Cb 0.51 0.42 -0.03 0.00 -0.53 0.00 0.00 40.66 41.03 2hna h LEU 105 CO 0.04 -0.50 0.27 -0.33 -0.13 0.00 0.00 178.44 177.79 2hna h GLU 106 N -0.69 1.12 -0.16 1.25 5.08 -1.75 -2.60 114.58 116.83 2hna h GLU 106 Ca 0.00 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2hna h GLU 106 Cb 0.68 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2hna h GLU 106 CO -0.18 0.93 0.09 0.00 -1.00 0.00 0.00 179.01 178.85 2hna h ALA 107 N 1.14 0.20 -0.11 3.43 0.00 -1.05 -1.97 119.26 120.90 2hna h ALA 107 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2hna h ALA 107 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hna h ALA 107 CO -0.02 -0.34 -0.29 0.93 0.00 0.00 0.00 179.25 179.54 2hna h GLU 108 N 0.19 0.20 -0.34 0.00 4.39 -0.87 -0.70 114.58 117.45 2hna h GLU 108 Ca 0.06 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2hna h GLU 108 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2hna h GLU 108 CO -0.04 0.48 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.19 2hna h LEU 109 N 0.18 0.61 -0.77 1.33 3.38 -1.07 0.93 115.31 119.89 2hna h LEU 109 Ca 0.03 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2hna h LEU 109 Cb 0.61 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2hna h LEU 109 CO 0.04 0.79 0.31 0.11 0.09 0.00 0.00 178.44 179.79 2hna h LYS 110 N 0.41 1.15 -0.41 1.13 1.57 -1.01 -0.82 116.57 118.59 2hna h LYS 110 Ca 0.09 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2hna h LYS 110 Cb 0.50 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2hna h LYS 110 CO 0.02 0.93 -0.13 -0.97 -0.57 0.00 0.00 179.45 178.74 2hna h ASN 111 N 1.11 0.72 -0.30 0.86 -1.24 -1.00 -3.02 115.58 112.71 2hna h ASN 111 Ca 0.26 -0.22 -0.18 0.00 0.71 0.00 0.00 56.30 56.87 2hna h ASN 111 Cb 0.21 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 2hna h ASN 111 CO -0.02 0.87 -0.50 0.28 -1.29 0.00 0.00 177.43 176.76 2hna h SER 112 N 0.66 0.98 0.00 1.15 0.02 -0.28 -3.48 113.55 112.60 2hna h SER 112 Ca 0.11 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2hna h SER 112 Cb 0.59 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2hna h SER 112 CO 0.04 1.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.64 2hna n GLY 113 N 0.30 0.33 3.75 -3.77 0.00 -0.37 -3.68 105.19 101.74 2hna n GLY 113 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 3.54 -0.06 4.61 0.00 -0.84 -3.65 121.76 125.37 2hna s ALA 114 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 2hna s ALA 114 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2hna s ALA 114 CO 0.00 -0.62 1.03 -1.59 0.00 0.00 0.00 175.76 174.58 2hna s LYS 115 N -0.80 4.46 -0.34 0.00 -2.85 -1.13 -3.99 119.74 115.09 2hna s LYS 115 Ca 0.54 1.45 -0.29 0.00 -1.00 0.00 0.00 55.97 56.67 2hna s LYS 115 Cb -0.39 -3.51 0.00 0.00 -2.06 0.00 0.00 37.83 31.87 2hna s LYS 115 CO 0.45 -0.25 1.40 -1.14 0.10 0.00 0.00 175.35 175.91 2hna s GLN 116 N 1.69 3.74 0.42 1.78 0.74 -1.26 -1.08 119.66 125.69 2hna s GLN 116 Ca 0.51 1.17 -0.11 0.00 0.05 0.00 0.00 55.36 56.97 2hna s GLN 116 Cb -0.20 -3.97 -0.06 0.00 1.10 0.00 0.00 33.01 29.87 2hna s GLN 116 CO 0.22 -1.36 0.80 0.99 -0.55 0.00 0.00 175.29 175.39 2hna s THR 117 N 5.00 4.76 0.00 -0.34 2.01 -0.78 -4.89 115.64 121.41 2hna s THR 117 Ca 0.61 0.68 0.00 0.00 0.31 0.00 0.00 61.69 63.28 2hna s THR 117 Cb -0.16 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.61 2hna s THR 117 CO 0.28 -0.56 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 2hna n GLY 118 N -1.37 3.81 3.64 4.40 0.00 -1.26 -4.74 105.19 109.66 2hna n GLY 118 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 1.57 0.12 1.61 -1.05 -1.26 -5.14 118.70 114.56 2hna s GLU 119 Ca 0.00 -1.12 -0.35 0.00 -0.15 0.00 0.00 54.97 53.35 2hna s GLU 119 Cb 0.00 0.51 -0.15 0.00 -0.44 0.00 0.00 34.13 34.05 2hna s GLU 119 CO 0.00 -0.67 1.47 2.41 0.95 0.00 0.00 175.26 179.41 2hna n THR 120 N -0.39 0.00 -3.46 1.83 -1.04 -1.26 -4.77 114.28 105.19 2hna n THR 120 Ca -0.04 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.63 2hna n THR 120 Cb 0.61 -1.20 -0.06 0.00 -1.82 0.00 0.00 70.33 67.87 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 0.73 4.31 0.06 -4.42 0.20 0.24 -4.99 118.68 114.81 2hna s LEU 121 Ca 0.82 0.92 0.09 0.00 0.69 0.00 0.00 54.13 56.64 2hna s LEU 121 Cb -0.81 -3.24 -0.03 0.00 -0.43 0.00 0.00 46.19 41.68 2hna s LEU 121 CO 0.42 0.09 -0.25 -0.54 -0.29 0.00 0.00 176.35 175.79 2hna s LYS 122 N -2.13 1.57 0.09 1.98 3.01 -1.26 -0.77 119.74 122.24 2hna s LYS 122 Ca 0.38 -1.11 0.03 0.00 -1.01 0.00 0.00 55.97 54.26 2hna s LYS 122 Cb -0.14 -1.80 -0.03 0.00 -1.01 0.00 0.00 37.83 34.85 2hna s LYS 122 CO 0.19 0.45 -0.09 0.96 0.51 0.00 0.00 175.35 177.37 2hna s ILE 123 N -0.87 0.86 0.27 2.17 -5.25 -1.26 -0.99 121.20 116.12 2hna s ILE 123 Ca 0.11 -1.57 -0.20 0.00 -0.99 0.00 0.00 60.65 57.99 2hna s ILE 123 Cb -0.10 -1.27 0.06 0.00 2.95 0.00 0.00 42.46 44.10 2hna s ILE 123 CO 0.03 -0.55 0.90 0.21 -1.79 0.00 0.00 174.94 173.73 2hna s ASN 124 N -2.35 -0.05 0.00 4.36 3.84 -1.26 -4.39 114.94 115.08 2hna s ASN 124 Ca 0.03 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.30 2hna s ASN 124 Cb -0.03 0.66 0.00 0.00 -0.55 0.00 0.00 41.25 41.32 2hna s ASN 124 CO -0.00 -1.28 0.00 2.30 -2.79 0.00 0.00 177.10 175.33 2hna n ILE 125 N -0.57 0.00 0.08 -5.21 -5.35 -1.26 -4.85 119.36 102.19 2hna n ILE 125 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2hna n ILE 125 Cb 0.60 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 2hna n ILE 125 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2hna n LEU 126 N -0.95 -1.35 0.00 7.28 0.00 -1.26 -5.02 117.00 115.70 2hna n LEU 126 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 56.01 56.31 2hna n LEU 126 Cb 0.08 1.56 0.00 0.00 0.00 0.00 0.00 43.42 45.05 2hna n LEU 126 CO 0.00 -0.25 0.00 -0.67 0.00 0.00 0.00 177.39 176.47 2hna n ASP 127 N -2.83 0.00 -3.78 1.96 2.03 -1.26 -4.96 116.55 107.71 2hna n ASP 127 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2hna n ASP 127 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2hna n ASP 127 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2hna s HIS 128 N 0.00 -0.03 0.30 -0.67 2.46 -1.26 -4.46 115.29 111.63 2hna s HIS 128 Ca 0.00 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.34 2hna s HIS 128 Cb 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 2hna s HIS 128 CO 0.00 -0.51 0.00 -3.47 -2.47 0.00 0.00 174.74 168.29 2hna n ASP 129 N 0.43 -2.66 0.09 9.88 -0.08 -1.26 -4.24 116.55 118.71 2hna n ASP 129 Ca -0.18 0.58 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2hna n ASP 129 Cb 0.60 2.65 0.00 0.00 2.34 0.00 0.00 41.12 46.71 2hna n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2hna n ILE 130 N -3.11 0.30 0.00 5.18 2.08 -1.26 -5.07 119.36 117.48 2hna n ILE 130 Ca 0.00 0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.41 2hna n ILE 130 Cb 0.00 -0.72 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 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 -3.29 2.59 0.00 0.38 -0.04 -1.26 -4.36 135.00 129.02 2hna n PRO 131 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2hna n PRO 131 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2hna n PRO 131 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2hna n GLU 132 N 0.00 0.00 -3.66 0.54 0.28 -1.26 -4.35 120.64 112.18 2hna n GLU 132 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 2hna n GLU 132 Cb 0.00 -0.32 -0.10 0.00 1.43 0.00 0.00 31.44 32.45 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 0.00 -0.34 0.53 -1.84 2.15 -1.26 -4.58 116.67 111.33 2hna s ASP 133 Ca 0.00 1.00 -0.18 0.00 0.43 0.00 0.00 52.55 53.80 2hna s ASP 133 Cb 0.00 1.27 -0.07 0.00 -0.30 0.00 0.00 42.92 43.82 2hna s ASP 133 CO 0.00 -0.22 1.03 -2.16 -0.17 0.00 0.00 175.17 173.65 2hna s PRO 134 N 2.37 3.65 -0.25 4.34 0.04 -1.26 -4.14 135.00 139.75 2hna s PRO 134 Ca -0.03 1.24 0.22 0.00 0.04 0.00 0.00 61.00 62.46 2hna s PRO 134 Cb -0.11 -2.08 0.50 0.00 0.04 0.00 0.00 34.50 32.85 2hna s PRO 134 CO -0.13 -0.54 1.12 0.00 0.04 0.00 0.00 177.00 177.49 2hna n ALA 135 N -1.44 2.73 -0.05 8.56 0.00 -0.16 -4.93 120.51 125.22 2hna n ALA 135 Ca 0.09 -2.80 0.24 0.00 0.00 0.00 0.00 53.44 50.96 2hna n ALA 135 Cb 0.53 -0.84 0.72 0.00 0.00 0.00 0.00 19.45 19.86 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 2.52 0.00 -0.50 0.00 4.81 -1.95 -0.46 114.58 119.00 2hna h GLU 136 Ca -0.11 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.26 2hna h GLU 136 Cb 1.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2hna h GLU 136 CO 0.21 0.00 0.40 0.93 -0.73 0.00 0.00 179.01 179.82 2hna h GLU 137 N 0.00 0.00 -0.87 1.92 5.08 -1.96 -0.13 114.58 118.63 2hna h GLU 137 Ca 0.31 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.75 2hna h GLU 137 Cb 1.35 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 2hna h GLU 137 CO -0.00 0.00 0.52 -1.49 -1.00 0.00 0.00 179.01 177.04 2hna h TRP 138 N 0.00 0.95 0.01 4.33 -0.00 -1.49 -1.07 115.95 118.68 2hna h TRP 138 Ca 0.24 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.16 2hna h TRP 138 Cb 1.03 -0.30 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 2hna h TRP 138 CO 0.00 0.43 -0.01 1.25 -0.00 0.00 0.00 178.44 180.12 2hna h LEU 139 N 0.90 -0.01 -0.30 -4.49 5.85 -1.21 0.17 115.31 116.21 2hna h LEU 139 Ca 0.40 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.09 2hna h LEU 139 Cb 0.30 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2hna h LEU 139 CO -0.22 0.07 0.04 1.23 -0.34 0.00 0.00 178.44 179.23 2hna h GLY 140 N -0.10 0.33 1.01 3.75 0.00 -1.48 0.76 103.07 107.35 2hna h GLY 140 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2hna h GLY 140 CO 0.00 -0.03 -0.34 1.76 0.00 0.00 0.00 176.54 177.93 2hna h SER 141 N 0.14 -0.82 -0.70 0.19 0.02 -1.06 -1.84 113.55 109.49 2hna h SER 141 Ca 0.14 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.23 2hna h SER 141 Cb 0.16 0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 2hna h SER 141 CO -0.20 -0.58 0.29 -0.25 -1.14 0.00 0.00 176.83 174.95 2hna h TRP 142 N -0.97 0.51 0.50 3.45 7.01 -0.43 0.73 115.95 126.76 2hna h TRP 142 Ca -0.10 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2hna h TRP 142 Cb 0.74 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 2hna h TRP 142 CO -0.02 0.12 -0.42 0.28 -2.79 0.00 0.00 178.44 175.61 2hna h VAL 143 N 0.48 0.16 0.00 2.65 2.07 -0.82 -0.65 116.25 120.14 2hna h VAL 143 Ca 0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.88 2hna h VAL 143 Cb 0.47 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2hna h VAL 143 CO -0.34 0.00 0.00 -0.55 0.02 0.00 0.00 177.57 176.70 2hna h ASN 144 N -0.91 0.00 0.01 0.57 7.08 -0.41 -0.52 115.58 121.40 2hna h ASN 144 Ca -0.05 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.17 2hna h ASN 144 Cb 0.78 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.02 2hna h ASN 144 CO -0.01 0.00 -0.00 -0.07 -2.08 0.00 0.00 177.43 175.26 2hna h LEU 145 N 0.00 -0.01 -0.53 6.14 4.07 -0.58 -3.36 115.31 121.05 2hna h LEU 145 Ca 0.00 -0.78 -0.12 0.00 0.08 0.00 0.00 57.88 57.07 2hna h LEU 145 Cb 0.36 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 2hna h LEU 145 CO 0.00 0.78 -0.55 0.17 -1.08 0.00 0.00 178.44 177.76 2hna h LEU 146 N -0.81 0.00 0.00 1.67 8.10 -0.69 -3.51 115.31 120.07 2hna h LEU 146 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2hna h LEU 146 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 2hna h LEU 146 CO 0.00 0.55 0.00 0.29 -4.11 0.00 0.00 178.44 175.17