#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 -0.61 -0.12 -5.12 0.00 -1.26 -4.57 121.76 110.08 2hna s ALA 2 Ca 0.00 -0.34 0.19 0.00 0.00 0.00 0.00 51.96 51.82 2hna s ALA 2 Cb 0.00 0.66 -0.21 0.00 0.00 0.00 0.00 23.12 23.57 2hna s ALA 2 CO 0.00 -0.62 0.57 -3.47 0.00 0.00 0.00 175.76 172.25 2hna n ASP 3 N -0.18 0.39 -3.84 0.00 2.03 0.64 -4.92 116.55 110.67 2hna n ASP 3 Ca -0.14 0.17 -0.19 0.00 0.52 0.00 0.00 54.79 55.15 2hna n ASP 3 Cb 0.63 0.98 -0.16 0.00 -0.72 0.00 0.00 41.12 41.85 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 -3.08 0.34 -0.12 5.18 1.01 -1.02 -3.63 121.20 119.89 2hna s ILE 4 Ca -0.06 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.36 2hna s ILE 4 Cb 0.10 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 2hna s ILE 4 CO 0.84 0.19 0.75 0.28 0.00 0.00 0.00 174.94 177.00 2hna s THR 5 N 1.05 4.98 -0.57 2.92 -1.32 -1.19 -1.43 115.64 120.08 2hna s THR 5 Ca -0.09 1.50 -0.12 0.00 -1.21 0.00 0.00 61.69 61.77 2hna s THR 5 Cb -0.14 -4.07 0.14 0.00 -1.51 0.00 0.00 72.50 66.92 2hna s THR 5 CO -0.01 0.15 0.48 -0.76 -2.21 0.00 0.00 174.62 172.27 2hna s LEU 6 N 1.41 6.01 -0.87 9.08 2.01 -0.36 -1.34 118.68 134.61 2hna s LEU 6 Ca 0.37 -2.08 -0.15 0.00 0.01 0.00 0.00 54.13 52.27 2hna s LEU 6 Cb -0.17 -2.10 0.19 0.00 0.01 0.00 0.00 46.19 44.12 2hna s LEU 6 CO 0.16 -0.70 0.90 -0.63 1.01 0.00 0.00 176.35 177.09 2hna s ILE 7 N 1.12 5.32 0.29 -0.59 1.01 0.16 -1.70 121.20 126.81 2hna s ILE 7 Ca 0.08 -2.20 -0.29 0.00 0.00 0.00 0.00 60.65 58.25 2hna s ILE 7 Cb -0.24 -4.58 -0.09 0.00 0.01 0.00 0.00 42.46 37.55 2hna s ILE 7 CO -0.01 -1.20 1.05 -0.44 0.00 0.00 0.00 174.94 174.34 2hna s SER 8 N 2.64 7.28 0.00 3.58 0.01 -0.16 -1.17 113.70 125.87 2hna s SER 8 Ca 0.23 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.64 2hna s SER 8 Cb -0.08 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2hna s SER 8 CO -0.09 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2hna n GLY 9 N 1.10 0.90 3.61 3.44 0.00 -0.77 -2.73 105.19 110.75 2hna n GLY 9 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2hna n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hna n SER 10 N 0.00 3.22 -4.24 1.61 3.41 -1.25 -1.45 113.62 114.91 2hna n SER 10 Ca 0.00 0.64 -0.36 0.00 -0.26 0.00 0.00 58.87 58.89 2hna n SER 10 Cb 0.25 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 62.75 2hna n SER 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hna n THR 11 N 6.33 -1.05 -3.53 6.66 -1.04 0.27 -1.90 114.28 120.03 2hna n THR 11 Ca 0.28 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 62.09 2hna n THR 11 Cb 0.34 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2hna n LEU 12 N -4.36 -3.70 -4.17 -4.42 7.94 -0.53 -4.81 117.00 102.96 2hna n LEU 12 Ca 0.05 -0.65 -0.10 0.00 -1.11 0.00 0.00 56.01 54.20 2hna n LEU 12 Cb 0.50 -2.27 -0.10 0.00 0.53 0.00 0.00 43.42 42.08 2hna n LEU 12 CO 0.86 -0.16 -0.33 -0.83 -1.11 0.00 0.00 177.39 175.82 2hna s GLY 13 N -3.01 0.92 -0.07 -3.96 0.00 -0.80 -5.04 107.32 95.36 2hna s GLY 13 Ca 0.02 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.36 2hna s GLY 13 CO 0.84 -1.42 0.02 0.61 0.00 0.00 0.00 173.10 173.16 2hna n GLY 14 N -0.09 -0.33 4.39 0.20 0.00 -1.26 -2.76 105.19 105.35 2hna n GLY 14 Ca -0.09 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.24 -1.53 -0.25 4.61 0.00 -1.26 -4.68 120.51 115.16 2hna n ALA 15 Ca -0.11 -0.26 0.24 0.00 0.00 0.00 0.00 53.44 53.32 2hna n ALA 15 Cb 0.71 -2.02 0.60 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.32 0.23 0.19 0.00 3.07 -1.97 -1.09 114.58 113.70 2hna h GLU 16 Ca -0.62 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.22 2hna h GLU 16 Cb 1.39 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.25 2hna h GLU 16 CO 0.80 0.15 -0.12 -0.92 -1.40 0.00 0.00 179.01 177.53 2hna h TYR 17 N 0.24 -0.30 0.00 4.33 3.20 -1.99 0.11 116.97 122.56 2hna h TYR 17 Ca 0.49 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 62.16 2hna h TYR 17 Cb 1.51 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.86 2hna h TYR 17 CO -0.00 -0.18 -0.98 -0.24 -1.64 0.00 0.00 178.16 175.11 2hna h VAL 18 N -0.29 1.47 -0.62 1.81 3.04 -1.72 -2.25 116.25 117.69 2hna h VAL 18 Ca -0.02 -3.13 -0.06 0.00 -1.01 0.00 0.00 66.70 62.48 2hna h VAL 18 Cb 0.25 2.72 -0.03 0.00 -2.01 0.00 0.00 31.29 32.22 2hna h VAL 18 CO 0.02 0.84 0.13 0.00 -1.01 0.00 0.00 177.57 177.54 2hna h ALA 19 N 1.10 1.06 -0.23 3.17 0.00 -1.15 -0.81 119.26 122.40 2hna h ALA 19 Ca -0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 2hna h ALA 19 Cb 1.72 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2hna h ALA 19 CO 0.11 0.61 -0.57 1.49 0.00 0.00 0.00 179.25 180.90 2hna h GLU 20 N 0.93 0.72 -0.61 0.00 4.81 -0.75 -0.57 114.58 119.10 2hna h GLU 20 Ca 0.19 -0.47 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 2hna h GLU 20 Cb 0.36 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2hna h GLU 20 CO 0.00 1.09 0.38 1.25 -0.73 0.00 0.00 179.01 181.01 2hna h HIS 21 N 0.55 0.71 0.52 0.92 2.76 -1.10 0.05 115.15 119.56 2hna h HIS 21 Ca 0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2hna h HIS 21 Cb 1.15 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 2hna h HIS 21 CO 0.06 0.41 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.73 2hna h LEU 22 N 0.75 -0.72 -0.98 0.26 3.38 -1.07 -3.14 115.31 113.79 2hna h LEU 22 Ca 0.25 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.40 2hna h LEU 22 Cb 0.02 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 2hna h LEU 22 CO -0.10 -0.47 0.60 0.00 0.09 0.00 0.00 178.44 178.55 2hna h ALA 23 N -0.31 1.52 -0.03 1.53 0.00 -0.62 -0.93 119.26 120.42 2hna h ALA 23 Ca -0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2hna h ALA 23 Cb 0.61 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2hna h ALA 23 CO 0.08 0.11 -0.26 1.49 0.00 0.00 0.00 179.25 180.67 2hna h GLU 24 N 0.88 -0.37 -0.70 0.00 4.81 -0.96 -0.51 114.58 117.73 2hna h GLU 24 Ca 0.51 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 2hna h GLU 24 Cb 0.62 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2hna h GLU 24 CO -0.31 -0.24 0.33 0.87 -0.73 0.00 0.00 179.01 178.93 2hna h LYS 25 N -0.38 1.02 -0.52 1.92 1.79 -1.21 -0.22 116.57 118.97 2hna h LYS 25 Ca 0.07 -0.15 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2hna h LYS 25 Cb 0.48 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 2hna h LYS 25 CO -0.25 0.80 0.30 -0.07 -1.08 0.00 0.00 179.45 179.16 2hna h LEU 26 N 0.98 0.47 -0.53 2.94 -0.00 -0.84 -0.61 115.31 117.72 2hna h LEU 26 Ca 0.24 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 57.97 2hna h LEU 26 Cb 0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2hna h LEU 26 CO -0.03 0.33 -0.55 -0.33 -0.00 0.00 0.00 178.44 177.86 2hna h GLU 27 N 0.59 0.53 0.00 1.13 5.08 -0.70 -2.52 114.58 118.69 2hna h GLU 27 Ca 0.22 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2hna h GLU 27 Cb 0.06 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2hna h GLU 27 CO -0.12 0.94 -0.15 0.93 -1.00 0.00 0.00 179.01 179.61 2hna h GLU 28 N 0.41 0.00 0.00 2.33 4.39 -0.78 -1.31 114.58 119.62 2hna h GLU 28 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2hna h GLU 28 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2hna h GLU 28 CO 0.10 0.15 0.00 0.00 -1.16 0.00 0.00 179.01 178.10 2hna h ALA 29 N 1.85 1.00 0.00 3.43 0.00 -0.66 -3.46 119.26 121.42 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 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 -0.06 0.24 0.13 0.00 0.00 -0.50 -5.10 105.19 99.90 2hna n GLY 30 Ca 0.01 0.00 -0.01 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 -2.92 -4.27 1.61 3.72 -1.19 -5.01 117.46 109.40 2hna n PHE 31 Ca 0.00 -0.07 -0.20 0.00 -0.05 0.00 0.00 57.45 57.13 2hna n PHE 31 Cb 0.00 -0.02 -0.13 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.84 1.28 0.02 4.37 -4.23 -1.26 -4.36 115.64 112.31 2hna s THR 32 Ca 0.02 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2hna s THR 32 Cb -0.00 -1.19 -0.02 0.00 1.34 0.00 0.00 72.50 72.63 2hna s THR 32 CO 0.01 -0.10 -0.03 0.42 -0.54 0.00 0.00 174.62 174.38 2hna s THR 33 N -1.11 0.12 -0.61 3.99 -4.23 -1.26 -0.26 115.64 112.29 2hna s THR 33 Ca 0.01 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2hna s THR 33 Cb -0.09 -0.27 0.16 0.00 1.34 0.00 0.00 72.50 73.64 2hna s THR 33 CO 0.02 -0.49 0.43 -0.70 -0.54 0.00 0.00 174.62 173.34 2hna s GLU 34 N -1.46 2.57 -0.14 3.99 2.56 -0.52 -4.83 118.70 120.89 2hna s GLU 34 Ca -0.16 -2.40 -0.29 0.00 0.00 0.00 0.00 54.97 52.12 2hna s GLU 34 Cb -0.10 -3.78 -0.04 0.00 2.00 0.00 0.00 34.13 32.21 2hna s GLU 34 CO -0.01 -1.17 1.58 0.99 -0.56 0.00 0.00 175.26 176.09 2hna s THR 35 N 0.17 3.74 0.03 -1.70 2.01 -1.26 -1.23 115.64 117.40 2hna s THR 35 Ca 0.15 0.87 -0.13 0.00 0.31 0.00 0.00 61.69 62.89 2hna s THR 35 Cb -0.20 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.69 2hna s THR 35 CO -0.04 -0.16 0.29 -0.76 -0.69 0.00 0.00 174.62 173.26 2hna s LEU 36 N 4.42 0.95 -0.45 4.42 1.43 -0.69 -4.98 118.68 123.78 2hna s LEU 36 Ca 0.70 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2hna s LEU 36 Cb -0.28 1.27 0.32 0.00 0.03 0.00 0.00 46.19 47.53 2hna s LEU 36 CO 0.27 -0.57 2.00 0.00 0.23 0.00 0.00 176.35 178.28 2hna n HIS 37 N 0.75 2.21 -4.17 0.29 1.44 -1.26 -0.99 115.22 113.49 2hna n HIS 37 Ca -0.19 -2.32 -0.37 0.00 -2.01 0.00 0.00 57.72 52.82 2hna n HIS 37 Cb 0.59 -1.12 -0.04 0.00 0.12 0.00 0.00 29.99 29.53 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 -0.20 -0.43 0.29 -1.39 0.00 -1.10 -4.81 105.19 97.56 2hna n GLY 38 Ca 0.43 0.24 0.18 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.03 0.00 -0.22 1.61 0.13 -1.91 -1.21 132.00 128.36 2hna h PRO 39 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2hna h PRO 39 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2hna h PRO 39 CO 0.59 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.67 2hna n LEU 40 N -3.16 2.54 0.00 1.56 4.77 -1.26 -4.98 117.00 116.46 2hna n LEU 40 Ca -0.01 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2hna n LEU 40 Cb 0.23 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2hna n LEU 40 CO 0.25 0.62 0.00 -0.11 -1.33 0.00 0.00 177.39 176.82 2hna n LEU 41 N 0.31 0.00 -2.71 2.23 0.00 -0.46 -4.52 117.00 111.85 2hna n LEU 41 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 56.05 2hna n LEU 41 Cb 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 43.42 43.68 2hna n LEU 41 CO 0.06 0.00 0.36 -1.84 0.00 0.00 0.00 177.39 175.97 2hna n GLU 42 N -1.29 0.32 -0.14 1.96 0.28 -1.26 -4.98 120.64 115.54 2hna n GLU 42 Ca 0.00 -1.26 -0.09 0.00 -0.16 0.00 0.00 57.16 55.66 2hna n GLU 42 Cb 0.00 -0.61 -0.00 0.00 1.43 0.00 0.00 31.44 32.25 2hna n GLU 42 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2hna h ASP 43 N 4.21 0.52 -3.55 -1.84 3.58 -1.96 -3.40 116.42 113.98 2hna h ASP 43 Ca -0.05 -0.11 -0.52 0.00 0.42 0.00 0.00 57.03 56.78 2hna h ASP 43 Cb 1.14 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 2hna h ASP 43 CO -0.03 0.48 -0.02 -0.76 -2.88 0.00 0.00 179.24 176.03 2hna s LEU 44 N -9.94 4.15 0.00 2.28 1.43 -1.26 -5.08 118.68 110.25 2hna s LEU 44 Ca -0.13 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 2hna s LEU 44 Cb 0.10 -3.81 0.18 0.00 0.03 0.00 0.00 46.19 42.70 2hna s LEU 44 CO 0.74 -0.11 0.59 -0.81 0.23 0.00 0.00 176.35 176.99 2hna n PRO 45 N -0.13 -2.43 -0.18 1.29 -0.04 -1.26 -4.85 135.00 127.41 2hna n PRO 45 Ca 0.01 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2hna n PRO 45 Cb 0.53 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 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 -4.13 2.58 -3.65 0.55 0.00 -1.26 -4.56 120.51 110.05 2hna n ALA 46 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2hna n ALA 46 Cb 0.33 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 1.66 -0.88 0.00 0.00 0.01 -1.26 -4.03 113.70 109.20 2hna s SER 47 Ca 0.00 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.66 2hna s SER 47 Cb 0.00 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.61 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 4.46 0.43 3.23 3.44 0.00 -1.18 -4.93 105.19 110.63 2hna n GLY 48 Ca -0.19 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.31 1.62 0.13 -0.61 -1.09 -1.24 -3.62 121.20 114.09 2hna s ILE 49 Ca 0.00 -1.00 0.10 0.00 -2.23 0.00 0.00 60.65 57.52 2hna s ILE 49 Cb 0.00 -1.37 -0.04 0.00 -1.58 0.00 0.00 42.46 39.47 2hna s ILE 49 CO 0.00 0.35 -0.24 0.26 -1.23 0.00 0.00 174.94 174.08 2hna s TRP 50 N -0.61 2.09 -0.01 3.97 0.52 -0.70 -3.20 118.94 121.01 2hna s TRP 50 Ca 0.08 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.81 2hna s TRP 50 Cb -0.08 -1.11 0.00 0.00 -1.15 0.00 0.00 33.47 31.13 2hna s TRP 50 CO 0.00 0.32 -0.03 -0.51 0.02 0.00 0.00 176.95 176.75 2hna s LEU 51 N -2.17 1.92 -0.05 2.99 1.43 -0.45 -2.03 118.68 120.31 2hna s LEU 51 Ca 0.13 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2hna s LEU 51 Cb -0.09 -0.18 -0.00 0.00 0.03 0.00 0.00 46.19 45.95 2hna s LEU 51 CO 0.06 0.03 -0.17 -0.69 0.23 0.00 0.00 176.35 175.81 2hna s VAL 52 N 0.04 1.42 -0.22 -1.59 1.01 -0.23 -0.67 120.40 120.16 2hna s VAL 52 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2hna s VAL 52 Cb -0.03 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.17 2hna s VAL 52 CO -0.00 0.41 -0.08 -0.63 0.00 0.00 0.00 175.10 174.80 2hna s ILE 53 N 0.14 1.69 0.25 2.22 1.09 -0.32 -0.98 121.20 125.29 2hna s ILE 53 Ca -0.06 -1.21 -0.07 0.00 -1.10 0.00 0.00 60.65 58.21 2hna s ILE 53 Cb -0.12 -1.85 0.03 0.00 -1.06 0.00 0.00 42.46 39.46 2hna s ILE 53 CO 0.03 0.02 0.46 -1.20 -0.10 0.00 0.00 174.94 174.15 2hna n SER 54 N 4.63 -1.31 -2.89 3.58 7.64 -1.07 -1.84 113.62 122.35 2hna n SER 54 Ca -0.13 -2.10 -0.13 0.00 1.01 0.00 0.00 58.87 57.52 2hna n SER 54 Cb 0.45 2.24 0.04 0.00 -1.01 0.00 0.00 64.21 65.93 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 -1.48 -1.42 0.15 6.43 3.41 -1.26 -2.26 113.62 117.19 2hna n SER 55 Ca -0.04 -3.36 0.12 0.00 -0.26 0.00 0.00 58.87 55.32 2hna n SER 55 Cb 0.39 1.03 0.55 0.00 -0.26 0.00 0.00 64.21 65.92 2hna n SER 55 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2hna n THR 56 N 0.68 0.93 -0.52 6.66 -2.24 -1.26 -4.51 114.28 114.02 2hna n THR 56 Ca 0.13 0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 62.13 2hna n THR 56 Cb 0.66 -1.48 0.24 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.27 -0.98 0.00 4.78 1.44 -1.26 -2.18 115.22 114.75 2hna n HIS 57 Ca 0.00 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 2hna n HIS 57 Cb 0.12 -1.74 0.00 0.00 0.12 0.00 0.00 29.99 28.50 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 0.99 1.66 0.00 -1.39 0.00 -1.26 -2.91 105.19 102.28 2hna n GLY 58 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2hna n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 59 N 0.00 0.00 -0.90 4.61 0.00 -1.26 -5.15 120.51 117.81 2hna n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hna n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 1.63 3.32 0.00 0.00 -0.93 -4.87 105.19 104.34 2hna n GLY 60 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 0.08 0.19 1.61 2.15 -0.25 -4.82 116.67 111.64 2hna s ASP 61 Ca 0.00 -1.22 -0.18 0.00 0.43 0.00 0.00 52.55 51.58 2hna s ASP 61 Cb 0.00 0.44 0.16 0.00 -0.30 0.00 0.00 42.92 43.22 2hna s ASP 61 CO 0.00 -0.92 1.60 0.40 -0.17 0.00 0.00 175.17 176.08 2hna h ILE 62 N 2.52 0.23 -0.18 4.11 2.04 -1.94 -2.12 117.51 122.18 2hna h ILE 62 Ca -0.33 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2hna h ILE 62 Cb 1.25 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2hna h ILE 62 CO 0.48 0.00 -0.29 1.55 0.00 0.00 0.00 178.15 179.89 2hna h PRO 63 N -0.12 0.52 0.00 2.37 0.13 -1.93 -3.47 132.00 129.49 2hna h PRO 63 Ca 0.26 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2hna h PRO 63 Cb 0.53 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2hna h PRO 63 CO -0.67 0.91 0.00 -3.47 -0.23 0.00 0.00 178.00 174.55 2hna n ASP 64 N -4.37 -1.43 0.00 1.44 2.03 -0.80 -5.03 116.55 108.40 2hna n ASP 64 Ca -0.06 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.81 2hna n ASP 64 Cb 0.47 1.61 0.00 0.00 -0.72 0.00 0.00 41.12 42.47 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 -2.96 0.00 -4.72 1.67 2.85 -1.25 -1.08 115.26 109.76 2hna n ASN 65 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 2hna n ASN 65 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 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 4.39 -0.13 1.20 1.02 -1.26 -0.56 118.68 123.34 2hna s LEU 66 Ca 0.00 1.97 -0.07 0.00 0.02 0.00 0.00 54.13 56.05 2hna s LEU 66 Cb 0.00 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.59 2hna s LEU 66 CO 0.00 -0.38 -0.03 0.77 0.02 0.00 0.00 176.35 176.72 2hna h SER 67 N 6.46 0.00 0.35 2.29 4.64 -1.88 -3.36 113.55 122.05 2hna h SER 67 Ca -0.42 -0.08 -0.33 0.00 -0.47 0.00 0.00 61.79 60.49 2hna h SER 67 Cb 1.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2hna h SER 67 CO 0.78 0.71 -1.48 1.55 -0.87 0.00 0.00 176.83 177.52 2hna h PRO 68 N -1.00 0.44 -0.05 4.77 0.13 -1.94 -3.38 132.00 130.98 2hna h PRO 68 Ca -0.02 -0.76 0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2hna h PRO 68 Cb 0.37 0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2hna h PRO 68 CO -0.01 1.35 -0.00 0.74 -0.23 0.00 0.00 178.00 179.85 2hna h PHE 69 N 0.12 -0.01 -0.57 1.56 -1.00 -1.91 0.06 116.94 115.20 2hna h PHE 69 Ca -0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.54 2hna h PHE 69 Cb 2.11 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 41.65 2hna h PHE 69 CO 0.11 -0.01 0.37 -0.92 -1.61 0.00 0.00 178.31 176.25 2hna h TYR 70 N 0.01 0.72 -0.16 -0.55 3.20 -1.75 0.66 116.97 119.10 2hna h TYR 70 Ca 0.02 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2hna h TYR 70 Cb 0.02 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2hna h TYR 70 CO -0.10 0.47 0.02 0.93 -1.64 0.00 0.00 178.16 177.84 2hna h GLU 71 N 0.77 0.27 -0.69 1.82 5.08 -1.65 -3.13 114.58 117.05 2hna h GLU 71 Ca 0.21 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2hna h GLU 71 Cb -0.07 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2hna h GLU 71 CO -0.04 0.46 0.29 0.00 -1.00 0.00 0.00 179.01 178.72 2hna h ALA 72 N 0.81 1.22 0.08 3.43 0.00 -0.62 -2.26 119.26 121.90 2hna h ALA 72 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2hna h ALA 72 Cb 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2hna h ALA 72 CO 0.00 0.58 -0.33 -0.07 0.00 0.00 0.00 179.25 179.44 2hna h LEU 73 N 0.99 -0.96 -0.86 0.00 3.38 -0.83 -2.07 115.31 114.97 2hna h LEU 73 Ca 0.24 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2hna h LEU 73 Cb 0.16 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2hna h LEU 73 CO -0.02 -0.41 0.00 1.56 0.09 0.00 0.00 178.44 179.66 2hna h GLN 74 N -0.53 0.00 -0.04 1.13 4.20 -1.47 0.11 115.11 118.51 2hna h GLN 74 Ca 0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 2hna h GLN 74 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2hna h GLN 74 CO -0.22 0.00 -0.66 1.49 -0.67 0.00 0.00 178.83 178.77 2hna h GLU 75 N 0.00 0.19 0.00 1.46 4.81 -0.78 -3.38 114.58 116.87 2hna h GLU 75 Ca 0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2hna h GLU 75 Cb 0.52 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2hna h GLU 75 CO 0.00 0.78 -1.15 0.00 -0.73 0.00 0.00 179.01 177.91 2hna n GLN 76 N -3.82 3.64 -3.32 1.92 10.64 -1.07 -5.07 117.38 120.32 2hna n GLN 76 Ca -0.02 -0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.02 2hna n GLN 76 Cb 0.66 -1.05 0.00 0.00 -0.86 0.00 0.00 30.24 28.98 2hna n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2hna n LYS 77 N -2.08 -0.64 -0.53 2.61 5.02 0.37 -4.91 118.16 118.00 2hna n LYS 77 Ca -0.03 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 2hna n LYS 77 Cb 0.57 -0.63 0.27 0.00 -0.02 0.00 0.00 35.03 35.22 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 -4.17 -2.28 -1.44 1.97 0.04 -1.26 -4.87 135.00 122.98 2hna s PRO 78 Ca 0.07 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.21 2hna s PRO 78 Cb -0.04 -1.45 0.05 0.00 0.04 0.00 0.00 34.50 33.11 2hna s PRO 78 CO 0.35 -4.47 2.24 -3.47 0.04 0.00 0.00 177.00 171.69 2hna n ASP 79 N -5.36 4.74 0.00 6.66 2.03 -1.26 -4.62 116.55 118.74 2hna n ASP 79 Ca 0.11 -2.87 0.05 0.00 0.52 0.00 0.00 54.79 52.59 2hna n ASP 79 Cb 0.59 -1.61 0.27 0.00 -0.72 0.00 0.00 41.12 39.65 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 5.27 0.00 0.00 -2.67 7.99 -1.24 -3.90 117.00 122.45 2hna n LEU 80 Ca 0.53 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.56 2hna n LEU 80 Cb 0.36 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.85 2hna n LEU 80 CO 0.87 0.00 0.55 -1.20 -1.51 0.00 0.00 177.39 176.10 2hna n SER 81 N -0.84 0.00 -0.68 -1.43 7.64 -1.25 -0.88 113.62 116.17 2hna n SER 81 Ca 0.07 0.23 0.06 0.00 1.01 0.00 0.00 58.87 60.23 2hna n SER 81 Cb 0.03 -0.31 0.16 0.00 -1.01 0.00 0.00 64.21 63.08 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hna n ALA 82 N -1.31 2.22 -2.37 -0.43 0.00 -1.25 -4.90 120.51 112.47 2hna n ALA 82 Ca 0.03 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.24 2hna n ALA 82 Cb 0.06 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.00 0.79 0.15 0.00 0.11 -0.06 -3.11 120.40 117.29 2hna s VAL 83 Ca 0.24 -1.74 0.11 0.00 -2.93 0.00 0.00 61.98 57.66 2hna s VAL 83 Cb 0.13 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 2hna s VAL 83 CO 0.17 -0.70 -0.24 0.00 -3.33 0.00 0.00 175.10 171.00 2hna s ARG 84 N -3.20 1.40 0.46 1.54 1.70 -1.24 -4.09 118.95 115.52 2hna s ARG 84 Ca 0.07 -1.40 0.05 0.00 -0.47 0.00 0.00 55.73 53.98 2hna s ARG 84 Cb 0.00 -1.77 -0.04 0.00 -0.57 0.00 0.00 34.95 32.57 2hna s ARG 84 CO -0.02 0.40 0.07 -0.59 -1.08 0.00 0.00 175.30 174.08 2hna s PHE 85 N -1.38 2.21 0.08 5.89 -0.71 -0.40 -1.73 117.98 121.94 2hna s PHE 85 Ca 0.16 -0.78 -0.08 0.00 -1.04 0.00 0.00 56.93 55.19 2hna s PHE 85 Cb -0.09 -1.76 -0.01 0.00 -1.21 0.00 0.00 43.02 39.95 2hna s PHE 85 CO 0.07 0.24 0.16 0.20 -1.34 0.00 0.00 175.22 174.56 2hna s GLY 86 N -3.85 0.15 0.05 1.99 0.00 -0.86 -0.46 107.32 104.33 2hna s GLY 86 Ca 0.25 -0.70 0.06 0.00 0.00 0.00 0.00 44.72 44.32 2hna s GLY 86 CO 0.13 -0.88 -0.17 0.00 0.00 0.00 0.00 173.10 172.19 2hna s ALA 87 N -3.87 1.42 -0.05 3.20 0.00 -1.26 -1.07 121.76 120.14 2hna s ALA 87 Ca 0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 2hna s ALA 87 Cb 0.05 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2hna s ALA 87 CO -0.11 0.29 0.04 0.42 0.00 0.00 0.00 175.76 176.40 2hna s ILE 88 N -0.87 0.06 0.00 0.00 1.01 -0.15 -0.86 121.20 120.40 2hna s ILE 88 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2hna s ILE 88 Cb -0.08 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2hna s ILE 88 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2hna n GLY 89 N 5.12 2.41 3.77 6.18 0.00 0.18 -2.61 105.19 120.25 2hna n GLY 89 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.81 2.31 -0.63 -0.61 1.01 -0.96 -4.45 121.20 116.05 2hna s ILE 90 Ca 0.00 0.29 0.24 0.00 0.00 0.00 0.00 60.65 61.18 2hna s ILE 90 Cb 0.00 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.34 2hna s ILE 90 CO 0.00 0.06 1.31 1.23 0.00 0.00 0.00 174.94 177.54 2hna h GLY 91 N 2.82 0.00 1.47 6.18 0.00 -1.86 -3.40 103.07 108.29 2hna h GLY 91 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2hna h GLY 91 CO 0.63 0.00 0.20 1.44 0.00 0.00 0.00 176.54 178.81 2hna n SER 92 N -2.12 0.42 0.00 0.19 7.64 -1.26 -0.68 113.62 117.80 2hna n SER 92 Ca 0.03 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2hna n SER 92 Cb 0.44 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2hna n SER 92 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2hna n ARG 93 N -2.13 -0.06 0.00 1.43 3.00 -1.26 -4.50 116.66 113.14 2hna n ARG 93 Ca -0.01 -0.58 0.00 0.00 -0.00 0.00 0.00 57.85 57.26 2hna n ARG 93 Cb 0.22 -0.87 0.00 0.00 0.00 0.00 0.00 32.46 31.81 2hna n ARG 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2hna n GLU 94 N -0.09 3.02 -0.02 -0.14 1.02 -0.70 -4.90 120.64 118.83 2hna n GLU 94 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2hna n GLU 94 Cb 0.12 -0.43 -0.02 0.00 -0.02 0.00 0.00 31.44 31.09 2hna n GLU 94 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2hna n TYR 95 N -0.21 0.00 -0.32 -0.32 9.36 0.14 -4.74 117.16 121.08 2hna n TYR 95 Ca 0.00 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.30 2hna n TYR 95 Cb 0.00 -0.17 0.23 0.00 -0.63 0.00 0.00 39.34 38.78 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2hna n ASP 96 N -2.32 3.47 -0.50 2.98 2.03 -1.03 -4.66 116.55 116.52 2hna n ASP 96 Ca -0.06 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.16 2hna n ASP 96 Cb 0.60 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.90 0.00 0.00 5.18 -2.24 -1.26 -1.46 114.28 115.40 2hna n THR 97 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2hna n THR 97 Cb 0.55 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2hna n THR 97 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2hna n PHE 98 N 0.26 0.00 -0.32 4.78 7.35 -1.26 -4.93 117.46 123.34 2hna n PHE 98 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2hna n PHE 98 Cb 0.12 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.95 2hna n PHE 98 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hna n GLY 100 N 0.18 -0.49 0.15 0.00 0.00 -0.70 -4.84 105.19 99.49 2hna n GLY 100 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna h ALA 101 N 0.99 0.97 0.00 4.61 0.00 -1.97 -3.37 119.26 120.48 2hna h ALA 101 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2hna h ALA 101 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2hna h ALA 101 CO 0.15 0.73 0.00 0.44 0.00 0.00 0.00 179.25 180.57 2hna n ILE 102 N -3.85 0.00 -0.08 0.00 -6.64 -1.26 -4.72 119.36 102.81 2hna n ILE 102 Ca -0.02 -0.11 0.25 0.00 -1.77 0.00 0.00 62.75 61.11 2hna n ILE 102 Cb 0.60 1.78 0.72 0.00 -1.44 0.00 0.00 39.64 41.30 2hna n ILE 102 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2hna h ASP 103 N 0.00 0.00 -1.09 7.28 3.58 -1.79 -2.71 116.42 121.69 2hna h ASP 103 Ca 0.00 0.00 0.32 0.00 0.42 0.00 0.00 57.03 57.77 2hna h ASP 103 Cb 0.39 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.32 2hna h ASP 103 CO 0.00 0.00 0.68 0.11 -2.88 0.00 0.00 179.24 177.15 2hna h LYS 104 N 0.00 0.32 0.69 0.28 1.57 -1.84 -1.26 116.57 116.32 2hna h LYS 104 Ca 0.34 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2hna h LYS 104 Cb 1.48 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2hna h LYS 104 CO -0.00 0.21 -0.36 1.25 -0.57 0.00 0.00 179.45 179.98 2hna h LEU 105 N 0.33 -0.87 -0.70 2.94 7.12 -1.87 -0.66 115.31 121.59 2hna h LEU 105 Ca 0.69 0.04 -0.14 0.00 0.13 0.00 0.00 57.88 58.59 2hna h LEU 105 Cb 1.77 0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 42.12 2hna h LEU 105 CO -0.41 -0.59 -0.62 -0.33 -0.13 0.00 0.00 178.44 176.35 2hna h GLU 106 N -0.96 0.10 -0.51 1.25 5.08 -1.71 -2.98 114.58 114.84 2hna h GLU 106 Ca -0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2hna h GLU 106 Cb 0.75 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2hna h GLU 106 CO 0.13 0.69 0.34 0.00 -1.00 0.00 0.00 179.01 179.17 2hna h ALA 107 N 1.29 0.65 -0.42 3.43 0.00 -1.00 -0.43 119.26 122.78 2hna h ALA 107 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2hna h ALA 107 Cb 1.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2hna h ALA 107 CO 0.09 0.10 -0.19 0.93 0.00 0.00 0.00 179.25 180.18 2hna h GLU 108 N 0.69 0.83 -0.81 0.00 4.39 -1.05 -0.52 114.58 118.11 2hna h GLU 108 Ca 0.19 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 2hna h GLU 108 Cb -0.07 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 2hna h GLU 108 CO -0.04 0.95 0.39 -0.07 -1.16 0.00 0.00 179.01 179.08 2hna h LEU 109 N 0.73 1.07 -0.01 1.33 3.38 -1.29 -0.15 115.31 120.37 2hna h LEU 109 Ca 0.11 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 2hna h LEU 109 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2hna h LEU 109 CO 0.05 0.91 -0.95 0.07 0.09 0.00 0.00 178.44 178.61 2hna h LYS 110 N 1.16 0.00 -0.48 1.13 2.10 -0.94 -3.13 116.57 116.40 2hna h LYS 110 Ca 0.28 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.85 2hna h LYS 110 Cb 0.12 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 2hna h LYS 110 CO -0.03 0.95 -0.03 -0.97 -2.00 0.00 0.00 179.45 177.37 2hna h ASN 111 N 0.00 0.80 1.71 7.07 -1.24 -0.87 -3.26 115.58 119.78 2hna h ASN 111 Ca -0.01 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 2hna h ASN 111 Cb 1.73 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 40.56 2hna h ASN 111 CO 0.12 0.88 -0.04 0.77 -1.29 0.00 0.00 177.43 177.87 2hna h SER 112 N 0.76 0.00 0.00 1.15 4.64 -1.03 -3.46 113.55 115.61 2hna h SER 112 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2hna h SER 112 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2hna h SER 112 CO 0.03 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2hna n GLY 113 N 0.83 1.68 2.95 -0.77 0.00 -1.23 -3.69 105.19 104.96 2hna n GLY 113 Ca 0.03 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.33 -2.83 4.61 0.00 -1.14 -3.90 120.51 114.92 2hna n ALA 114 Ca 0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 53.44 51.95 2hna n ALA 114 Cb 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 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 -5.13 0.58 -0.04 0.00 -2.85 -1.26 -4.30 119.74 106.74 2hna s LYS 115 Ca 0.59 -0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 54.46 2hna s LYS 115 Cb -0.04 -0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 35.32 2hna s LYS 115 CO 0.44 0.07 1.11 -1.14 0.10 0.00 0.00 175.35 175.94 2hna s GLN 116 N -1.64 4.42 0.28 1.78 0.74 -1.26 -1.28 119.66 122.70 2hna s GLN 116 Ca -0.08 1.58 -0.29 0.00 0.05 0.00 0.00 55.36 56.62 2hna s GLN 116 Cb -0.10 -3.50 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 2hna s GLN 116 CO 0.01 -0.31 1.01 0.99 -0.55 0.00 0.00 175.29 176.43 2hna s THR 117 N 1.74 3.85 0.00 -0.34 2.01 0.39 -4.85 115.64 118.44 2hna s THR 117 Ca 0.54 1.79 0.00 0.00 0.31 0.00 0.00 61.69 64.33 2hna s THR 117 Cb -0.23 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2hna s THR 117 CO 0.23 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 2hna n GLY 118 N 1.19 3.72 3.40 4.40 0.00 -1.26 -4.73 105.19 111.90 2hna n GLY 118 Ca -0.01 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 1.20 -0.02 1.61 -1.05 -1.26 -5.13 118.70 114.04 2hna s GLU 119 Ca 0.00 -0.82 -0.35 0.00 -0.15 0.00 0.00 54.97 53.65 2hna s GLU 119 Cb 0.00 0.48 -0.13 0.00 -0.44 0.00 0.00 34.13 34.04 2hna s GLU 119 CO 0.00 -0.48 1.71 2.41 0.95 0.00 0.00 175.26 179.85 2hna n THR 120 N -0.27 0.30 -1.59 1.83 -1.04 -1.26 -4.86 114.28 107.40 2hna n THR 120 Ca -0.13 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.53 2hna n THR 120 Cb 0.63 -1.57 0.09 0.00 -1.82 0.00 0.00 70.33 67.66 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 2.65 2.64 0.02 -4.42 0.20 -0.04 -4.90 118.68 114.84 2hna s LEU 121 Ca 0.88 1.29 0.02 0.00 0.69 0.00 0.00 54.13 57.02 2hna s LEU 121 Cb -0.77 -3.93 -0.01 0.00 -0.43 0.00 0.00 46.19 41.05 2hna s LEU 121 CO 0.49 -1.90 -0.06 -0.54 -0.29 0.00 0.00 176.35 174.05 2hna s LYS 122 N -5.18 0.47 0.04 1.98 1.02 -1.26 -0.65 119.74 116.17 2hna s LYS 122 Ca 0.60 -0.44 -0.07 0.00 0.02 0.00 0.00 55.97 56.09 2hna s LYS 122 Cb -0.14 -0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2hna s LYS 122 CO 0.54 0.08 0.13 0.96 -0.92 0.00 0.00 175.35 176.15 2hna s ILE 123 N -0.68 0.13 -0.01 2.17 -5.25 -1.20 -0.98 121.20 115.38 2hna s ILE 123 Ca -0.03 -1.04 -0.28 0.00 -0.99 0.00 0.00 60.65 58.30 2hna s ILE 123 Cb -0.06 -0.94 0.08 0.00 2.95 0.00 0.00 42.46 44.49 2hna s ILE 123 CO 0.00 -0.58 0.74 0.21 -1.79 0.00 0.00 174.94 173.53 2hna s ASN 124 N -2.18 -0.55 -0.01 4.36 3.84 -1.26 -4.38 114.94 114.77 2hna s ASN 124 Ca -0.04 0.37 0.12 0.00 0.21 0.00 0.00 52.86 53.52 2hna s ASN 124 Cb -0.00 0.49 0.20 0.00 -0.55 0.00 0.00 41.25 41.39 2hna s ASN 124 CO -0.05 -0.66 1.08 2.30 -2.79 0.00 0.00 177.10 176.98 2hna n ILE 125 N 0.37 0.14 -4.53 -5.21 -6.64 -1.26 -4.47 119.36 97.76 2hna n ILE 125 Ca -0.16 -0.60 -0.25 0.00 -1.77 0.00 0.00 62.75 59.98 2hna n ILE 125 Cb 0.60 0.65 -0.06 0.00 -1.44 0.00 0.00 39.64 39.39 2hna n ILE 125 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2hna n LEU 126 N 0.11 0.00 -0.24 7.28 4.77 -1.26 -5.06 117.00 122.59 2hna n LEU 126 Ca 0.04 -2.68 -0.06 0.00 -0.03 0.00 0.00 56.01 53.28 2hna n LEU 126 Cb 0.88 0.60 0.05 0.00 -2.33 0.00 0.00 43.42 42.62 2hna n LEU 126 CO -0.02 -0.40 1.12 -0.78 -1.33 0.00 0.00 177.39 175.99 2hna h ASP 127 N 1.21 0.82 -4.97 -1.43 3.58 -1.98 -3.46 116.42 110.19 2hna h ASP 127 Ca -0.31 -0.06 0.09 0.00 0.42 0.00 0.00 57.03 57.17 2hna h ASP 127 Cb 1.06 -0.21 -0.11 0.00 1.72 0.00 0.00 39.33 41.79 2hna h ASP 127 CO 0.51 0.64 0.39 -1.38 -2.88 0.00 0.00 179.24 176.52 2hna s HIS 128 N -5.98 -0.31 0.00 0.28 -3.43 -1.26 -5.06 115.29 99.53 2hna s HIS 128 Ca -0.13 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2hna s HIS 128 Cb 0.14 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.89 2hna s HIS 128 CO 0.78 -0.80 0.00 -0.25 -2.00 0.00 0.00 174.74 172.47 2hna n ASP 129 N -0.37 0.00 0.01 7.38 8.00 -1.26 -4.96 116.55 125.36 2hna n ASP 129 Ca -0.09 -0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.04 2hna n ASP 129 Cb 0.62 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.24 1.24 -0.52 0.53 1.08 -1.97 -3.26 117.51 114.83 2hna h ILE 130 Ca 0.00 -0.81 -0.12 0.00 -0.39 0.00 0.00 64.86 63.54 2hna h ILE 130 Cb 0.00 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2hna h ILE 130 CO 0.00 0.21 -0.15 1.55 -0.69 0.00 0.00 178.15 179.07 2hna h PRO 131 N -0.38 1.02 0.00 2.37 0.13 -1.88 -3.46 132.00 129.80 2hna h PRO 131 Ca -0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2hna h PRO 131 Cb 0.36 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2hna h PRO 131 CO 0.01 1.09 0.00 -1.91 -0.23 0.00 0.00 178.00 176.95 2hna n GLU 132 N -4.14 0.00 -3.75 0.86 2.13 -1.23 -4.76 120.64 109.75 2hna n GLU 132 Ca 0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.70 2hna n GLU 132 Cb 0.42 -1.31 -0.10 0.00 0.27 0.00 0.00 31.44 30.72 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2hna s ASP 133 N -0.15 -0.35 -0.61 4.31 2.15 -1.26 -4.68 116.67 116.07 2hna s ASP 133 Ca 0.00 0.65 -0.26 0.00 0.43 0.00 0.00 52.55 53.37 2hna s ASP 133 Cb 0.00 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.27 2hna s ASP 133 CO 0.00 -0.17 1.99 -2.16 -0.17 0.00 0.00 175.17 174.67 2hna s PRO 134 N -0.00 2.49 -1.14 4.34 0.04 -1.26 -3.22 135.00 136.24 2hna s PRO 134 Ca -0.02 0.72 -0.15 0.00 0.04 0.00 0.00 61.00 61.59 2hna s PRO 134 Cb -0.03 -4.48 -0.06 0.00 0.04 0.00 0.00 34.50 29.97 2hna s PRO 134 CO 0.01 -2.92 2.18 0.00 0.04 0.00 0.00 177.00 176.31 2hna n ALA 135 N 13.62 4.82 -0.14 8.56 0.00 -0.16 -4.72 120.51 142.48 2hna n ALA 135 Ca 0.25 -3.37 0.13 0.00 0.00 0.00 0.00 53.44 50.45 2hna n ALA 135 Cb 0.52 -3.49 0.47 0.00 0.00 0.00 0.00 19.45 16.96 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 6.65 0.46 -0.05 0.00 4.81 -1.90 -1.11 114.58 123.44 2hna h GLU 136 Ca 0.54 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.69 2hna h GLU 136 Cb 0.55 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2hna h GLU 136 CO 1.85 0.31 -0.21 0.93 -0.73 0.00 0.00 179.01 181.16 2hna h GLU 137 N 0.48 0.08 -0.32 1.92 5.08 -1.99 -0.34 114.58 119.48 2hna h GLU 137 Ca 0.33 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2hna h GLU 137 Cb 0.65 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2hna h GLU 137 CO -0.11 0.28 0.00 2.35 -1.00 0.00 0.00 179.01 180.54 2hna h TRP 138 N 0.07 0.61 0.19 4.33 2.91 -1.60 -0.49 115.95 121.97 2hna h TRP 138 Ca 0.01 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 2hna h TRP 138 Cb 0.41 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 2hna h TRP 138 CO 0.00 0.68 -0.09 1.25 -1.03 0.00 0.00 178.44 179.25 2hna h LEU 139 N 0.36 -0.22 -0.47 0.65 5.85 -1.31 -0.90 115.31 119.28 2hna h LEU 139 Ca 0.09 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2hna h LEU 139 Cb 0.44 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 2hna h LEU 139 CO 0.02 -0.09 -0.10 1.23 -0.34 0.00 0.00 178.44 179.17 2hna h GLY 140 N -0.34 0.37 0.93 3.75 0.00 -1.05 0.11 103.07 106.85 2hna h GLY 140 Ca -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2hna h GLY 140 CO 0.04 -0.17 -0.21 1.76 0.00 0.00 0.00 176.54 177.97 2hna h SER 141 N 0.02 -0.49 -0.91 0.19 0.02 -0.91 -0.10 113.55 111.37 2hna h SER 141 Ca 0.23 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 2hna h SER 141 Cb 0.35 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 2hna h SER 141 CO -0.47 -0.29 0.56 -0.25 -1.14 0.00 0.00 176.83 175.24 2hna h TRP 142 N -0.65 1.02 -0.05 3.45 7.01 -0.87 -0.88 115.95 124.98 2hna h TRP 142 Ca -0.06 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2hna h TRP 142 Cb 0.48 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 2hna h TRP 142 CO -0.03 0.45 0.03 0.28 -2.79 0.00 0.00 178.44 176.38 2hna h VAL 143 N 0.95 1.03 0.00 2.65 2.07 -0.58 -0.76 116.25 121.61 2hna h VAL 143 Ca 0.43 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.86 2hna h VAL 143 Cb 0.33 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2hna h VAL 143 CO -0.23 0.03 -0.03 0.78 0.02 0.00 0.00 177.57 178.14 2hna h ASN 144 N 0.04 0.00 0.12 0.57 2.35 0.04 -0.39 115.58 118.31 2hna h ASN 144 Ca 0.02 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.60 2hna h ASN 144 Cb 0.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.41 2hna h ASN 144 CO -0.00 0.03 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.01 2hna h LEU 145 N 0.00 0.43 -0.53 1.61 4.07 -0.80 -3.34 115.31 116.74 2hna h LEU 145 Ca -0.00 -0.95 -0.16 0.00 0.08 0.00 0.00 57.88 56.85 2hna h LEU 145 Cb 0.06 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2hna h LEU 145 CO 0.00 1.35 -0.54 0.17 -1.08 0.00 0.00 178.44 178.34 2hna h LEU 146 N -0.41 0.60 0.00 1.67 8.10 -0.78 -3.51 115.31 120.97 2hna h LEU 146 Ca -0.13 -0.32 0.00 0.00 0.11 0.00 0.00 57.88 57.55 2hna h LEU 146 Cb 1.57 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 41.62 2hna h LEU 146 CO 0.14 1.02 0.00 0.29 -4.11 0.00 0.00 178.44 175.78