#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hna s ALA 2 N 0.00 -0.33 -0.10 -5.12 0.00 -1.26 -4.58 121.76 110.38 2hna s ALA 2 Ca 0.00 -0.54 0.16 0.00 0.00 0.00 0.00 51.96 51.59 2hna s ALA 2 Cb 0.00 0.53 -0.24 0.00 0.00 0.00 0.00 23.12 23.41 2hna s ALA 2 CO 0.00 -0.53 0.22 -3.47 0.00 0.00 0.00 175.76 171.98 2hna n ASP 3 N -0.09 0.90 -3.88 0.00 2.03 0.55 -4.90 116.55 111.16 2hna n ASP 3 Ca -0.15 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.91 2hna n ASP 3 Cb 0.63 1.35 -0.17 0.00 -0.72 0.00 0.00 41.12 42.21 2hna n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hna s ILE 4 N -2.81 0.81 -0.03 5.18 1.01 -1.07 -3.01 121.20 121.28 2hna s ILE 4 Ca -0.07 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 2hna s ILE 4 Cb 0.08 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2hna s ILE 4 CO 0.71 0.32 0.81 0.28 0.00 0.00 0.00 174.94 177.07 2hna s THR 5 N 1.62 4.94 -0.39 2.92 -1.32 -1.19 -1.69 115.64 120.53 2hna s THR 5 Ca 0.02 1.70 -0.12 0.00 -1.21 0.00 0.00 61.69 62.08 2hna s THR 5 Cb -0.13 -4.15 0.03 0.00 -1.51 0.00 0.00 72.50 66.74 2hna s THR 5 CO -0.06 0.23 0.23 -0.76 -2.21 0.00 0.00 174.62 172.06 2hna s LEU 6 N 0.77 4.86 -0.66 9.08 2.01 -0.70 -1.43 118.68 132.61 2hna s LEU 6 Ca 0.43 -1.02 -0.11 0.00 0.01 0.00 0.00 54.13 53.43 2hna s LEU 6 Cb -0.19 -2.05 0.17 0.00 0.01 0.00 0.00 46.19 44.13 2hna s LEU 6 CO 0.22 -0.42 0.57 -0.63 1.01 0.00 0.00 176.35 177.11 2hna s ILE 7 N 1.57 4.91 -0.81 -0.59 1.01 0.08 -2.50 121.20 124.87 2hna s ILE 7 Ca 0.03 -2.24 0.16 0.00 0.00 0.00 0.00 60.65 58.59 2hna s ILE 7 Cb -0.20 -4.11 0.55 0.00 0.01 0.00 0.00 42.46 38.72 2hna s ILE 7 CO 0.07 -0.92 1.47 -1.20 0.00 0.00 0.00 174.94 174.36 2hna n SER 8 N 4.31 4.02 -3.31 3.58 7.64 -0.66 -1.32 113.62 127.88 2hna n SER 8 Ca 0.03 -2.48 -0.38 0.00 1.01 0.00 0.00 58.87 57.06 2hna n SER 8 Cb 0.43 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.52 4.86 3.54 0.23 0.00 -1.24 -1.08 105.19 112.00 2hna n GLY 9 Ca 0.21 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 2hna n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hna n SER 10 N 2.09 1.80 -3.67 1.61 7.64 -1.26 -0.32 113.62 121.52 2hna n SER 10 Ca 0.65 -0.31 -0.24 0.00 1.01 0.00 0.00 58.87 59.97 2hna n SER 10 Cb 0.29 -1.41 0.06 0.00 -1.01 0.00 0.00 64.21 62.14 2hna n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hna n THR 11 N 7.86 -3.29 -3.86 0.44 -1.04 -1.26 -0.98 114.28 112.15 2hna n THR 11 Ca 0.45 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.05 62.04 2hna n THR 11 Cb 0.41 -3.81 0.02 0.00 -1.82 0.00 0.00 70.33 65.13 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2hna n LEU 12 N -4.74 -2.47 0.00 -4.42 7.94 0.56 -4.95 117.00 108.93 2hna n LEU 12 Ca -0.05 -0.74 0.00 0.00 -1.11 0.00 0.00 56.01 54.11 2hna n LEU 12 Cb 0.58 -2.53 0.00 0.00 0.53 0.00 0.00 43.42 41.99 2hna n LEU 12 CO 0.68 0.44 0.00 0.61 -1.11 0.00 0.00 177.39 178.01 2hna n GLY 13 N -1.65 1.15 2.73 -3.96 0.00 -0.15 -5.00 105.19 98.31 2hna n GLY 13 Ca 0.04 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 5.00 0.39 0.50 -0.02 0.00 -1.23 -4.49 105.19 105.35 2hna n GLY 14 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.64 1.79 0.32 4.61 0.00 -0.25 -4.39 120.51 123.23 2hna n ALA 15 Ca 0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.71 2hna n ALA 15 Cb 0.69 -1.00 1.07 0.00 0.00 0.00 0.00 19.45 20.20 2hna n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hna h GLU 16 N 0.47 0.00 -0.97 0.00 5.08 -1.87 -2.36 114.58 114.93 2hna h GLU 16 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2hna h GLU 16 Cb 0.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2hna h GLU 16 CO 0.00 0.00 0.62 -0.92 -1.00 0.00 0.00 179.01 177.72 2hna h TYR 17 N 0.00 1.15 -0.21 4.33 3.20 -1.98 0.79 116.97 124.24 2hna h TYR 17 Ca -0.00 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 2hna h TYR 17 Cb 0.15 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2hna h TYR 17 CO 0.00 0.58 -0.53 0.28 -1.64 0.00 0.00 178.16 176.84 2hna h VAL 18 N 1.11 1.30 -0.07 1.81 2.07 -1.81 -3.27 116.25 117.41 2hna h VAL 18 Ca 0.43 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2hna h VAL 18 Cb 0.21 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2hna h VAL 18 CO -0.18 0.55 -0.15 0.00 0.02 0.00 0.00 177.57 177.81 2hna h ALA 19 N 0.61 1.63 -0.48 1.67 0.00 -1.24 -0.87 119.26 120.58 2hna h ALA 19 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2hna h ALA 19 Cb 1.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2hna h ALA 19 CO 0.12 0.27 0.14 0.93 0.00 0.00 0.00 179.25 180.70 2hna h GLU 20 N 0.10 0.75 -0.34 0.00 5.08 -0.94 0.10 114.58 119.33 2hna h GLU 20 Ca 0.02 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2hna h GLU 20 Cb 0.32 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2hna h GLU 20 CO 0.02 0.72 -0.01 1.25 -1.00 0.00 0.00 179.01 179.99 2hna h HIS 21 N 0.64 0.66 0.09 4.33 2.76 -1.46 -1.58 115.15 120.60 2hna h HIS 21 Ca 0.15 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2hna h HIS 21 Cb 0.29 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2hna h HIS 21 CO 0.02 0.72 -0.15 -0.07 -1.30 0.00 0.00 177.93 177.15 2hna h LEU 22 N 0.41 -0.40 -0.67 0.26 3.38 -1.06 -1.82 115.31 115.40 2hna h LEU 22 Ca 0.09 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.23 2hna h LEU 22 Cb 0.47 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 2hna h LEU 22 CO 0.02 -0.22 0.24 0.00 0.09 0.00 0.00 178.44 178.57 2hna h ALA 23 N 0.57 0.89 0.17 1.53 0.00 -0.75 0.57 119.26 122.24 2hna h ALA 23 Ca 0.02 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2hna h ALA 23 Cb 0.31 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2hna h ALA 23 CO -0.08 -0.23 -0.24 1.49 0.00 0.00 0.00 179.25 180.20 2hna h GLU 24 N 0.39 -0.45 -0.67 0.00 4.57 -0.78 0.76 114.58 118.39 2hna h GLU 24 Ca 0.36 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.61 2hna h GLU 24 Cb 0.51 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 2hna h GLU 24 CO -0.37 -0.30 0.40 0.87 -1.18 0.00 0.00 179.01 178.42 2hna h LYS 25 N -0.47 0.73 -0.19 1.92 1.79 -0.80 -1.87 116.57 117.68 2hna h LYS 25 Ca 0.02 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 2hna h LYS 25 Cb 0.47 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2hna h LYS 25 CO -0.10 0.49 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.29 2hna h LEU 26 N 0.76 0.46 -0.26 2.94 4.07 -0.58 -0.05 115.31 122.65 2hna h LEU 26 Ca 0.29 -0.20 -0.09 0.00 0.08 0.00 0.00 57.88 57.96 2hna h LEU 26 Cb 0.11 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 2hna h LEU 26 CO -0.15 0.81 -0.17 -0.33 -1.08 0.00 0.00 178.44 177.52 2hna h GLU 27 N 0.36 0.59 0.00 1.13 5.08 -0.46 -2.60 114.58 118.68 2hna h GLU 27 Ca 0.03 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2hna h GLU 27 Cb 0.86 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2hna h GLU 27 CO 0.07 0.86 0.00 1.05 -1.00 0.00 0.00 179.01 179.99 2hna h GLU 28 N 0.31 0.00 0.00 2.33 4.11 -1.26 -1.41 114.58 118.66 2hna h GLU 28 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2hna h GLU 28 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2hna h GLU 28 CO 0.05 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.13 2hna h ALA 29 N 2.09 1.00 0.00 1.06 0.00 -0.63 -3.47 119.26 119.31 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2hna h ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2hna n GLY 30 N -0.06 1.50 0.79 0.00 0.00 -0.53 -5.07 105.19 101.82 2hna n GLY 30 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 -4.34 1.61 3.72 -1.03 -5.03 117.46 112.30 2hna n PHE 31 Ca 0.00 -0.53 -0.23 0.00 -0.05 0.00 0.00 57.45 56.64 2hna n PHE 31 Cb 0.00 -0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 38.35 2hna n PHE 31 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2hna s THR 32 N -1.22 1.89 0.06 4.37 -4.23 -1.26 -4.28 115.64 110.97 2hna s THR 32 Ca 0.01 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 2hna s THR 32 Cb -0.00 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 2hna s THR 32 CO 0.01 -0.23 0.05 0.42 -0.54 0.00 0.00 174.62 174.33 2hna s THR 33 N -1.80 0.18 -0.34 3.99 -4.23 -1.26 -0.33 115.64 111.85 2hna s THR 33 Ca 0.15 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2hna s THR 33 Cb -0.07 -1.33 0.10 0.00 1.34 0.00 0.00 72.50 72.54 2hna s THR 33 CO 0.07 -0.83 0.09 -0.70 -0.54 0.00 0.00 174.62 172.71 2hna s GLU 34 N -3.63 1.11 -0.15 3.99 -6.30 -0.68 -4.79 118.70 108.25 2hna s GLU 34 Ca 0.04 -1.52 -0.29 0.00 -2.50 0.00 0.00 54.97 50.70 2hna s GLU 34 Cb 0.05 -2.58 -0.03 0.00 0.00 0.00 0.00 34.13 31.57 2hna s GLU 34 CO -0.09 -0.98 1.43 0.99 0.02 0.00 0.00 175.26 176.62 2hna s THR 35 N 1.18 3.99 0.17 -1.70 2.01 -1.26 -1.71 115.64 118.32 2hna s THR 35 Ca 0.11 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 2hna s THR 35 Cb -0.19 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2hna s THR 35 CO -0.16 -0.17 0.34 -0.76 -0.69 0.00 0.00 174.62 173.18 2hna s LEU 36 N 3.96 0.76 -0.48 4.42 1.43 -1.04 -4.99 118.68 122.75 2hna s LEU 36 Ca 0.62 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2hna s LEU 36 Cb -0.25 1.41 0.51 0.00 0.03 0.00 0.00 46.19 47.90 2hna s LEU 36 CO 0.22 -0.93 1.75 0.00 0.23 0.00 0.00 176.35 177.62 2hna n HIS 37 N -0.24 2.68 -4.00 0.29 1.44 -1.26 -1.66 115.22 112.47 2hna n HIS 37 Ca -0.08 -2.34 -0.27 0.00 -2.01 0.00 0.00 57.72 53.02 2hna n HIS 37 Cb 0.63 -0.95 -0.03 0.00 0.12 0.00 0.00 29.99 29.76 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 -0.98 -0.26 0.31 -1.39 0.00 -1.26 -3.71 105.19 97.90 2hna n GLY 38 Ca 0.53 0.17 0.20 0.00 0.00 0.00 0.00 46.02 46.92 2hna n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hna h PRO 39 N -1.85 0.00 -0.14 1.61 0.13 -1.97 -1.22 132.00 128.56 2hna h PRO 39 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 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 0.63 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 2hna n LEU 40 N -3.12 2.36 0.00 1.56 4.77 -1.26 -4.99 117.00 116.33 2hna n LEU 40 Ca -0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 2hna n LEU 40 Cb 0.18 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2hna n LEU 40 CO 0.24 0.59 0.00 -0.11 -1.33 0.00 0.00 177.39 176.78 2hna n LEU 41 N -0.09 0.00 -2.72 2.23 0.00 -0.46 -4.53 117.00 111.43 2hna n LEU 41 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.01 2hna n LEU 41 Cb 0.32 -0.09 0.04 0.00 0.00 0.00 0.00 43.42 43.69 2hna n LEU 41 CO 0.03 0.00 0.30 -1.84 0.00 0.00 0.00 177.39 175.88 2hna n GLU 42 N -1.20 0.45 -0.16 1.96 0.28 -1.26 -4.98 120.64 115.73 2hna n GLU 42 Ca 0.00 -1.46 -0.08 0.00 -0.16 0.00 0.00 57.16 55.46 2hna n GLU 42 Cb 0.00 -0.92 0.01 0.00 1.43 0.00 0.00 31.44 31.95 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 4.22 0.61 -3.52 -1.84 3.58 -1.95 -3.41 116.42 114.11 2hna h ASP 43 Ca -0.07 -0.13 -0.52 0.00 0.42 0.00 0.00 57.03 56.73 2hna h ASP 43 Cb 1.12 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 2hna h ASP 43 CO 0.04 0.56 -0.05 -0.76 -2.88 0.00 0.00 179.24 176.16 2hna s LEU 44 N -9.88 4.12 0.00 2.28 1.43 -1.26 -5.08 118.68 110.28 2hna s LEU 44 Ca -0.13 1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 2hna s LEU 44 Cb 0.11 -3.81 0.25 0.00 0.03 0.00 0.00 46.19 42.77 2hna s LEU 44 CO 0.76 -0.13 0.79 -0.81 0.23 0.00 0.00 176.35 177.19 2hna n PRO 45 N -0.28 -3.02 -0.15 1.29 -0.04 -1.26 -4.86 135.00 126.67 2hna n PRO 45 Ca 0.01 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 2hna n PRO 45 Cb 0.53 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.60 2.51 -3.65 0.55 0.00 -1.26 -4.54 120.51 109.51 2hna n ALA 46 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 2hna n ALA 46 Cb 0.45 -1.25 -0.07 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 1.55 -0.86 0.00 0.00 0.01 -1.26 -4.02 113.70 109.12 2hna s SER 47 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2hna s SER 47 Cb 0.00 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.84 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 4.85 0.52 3.21 3.44 0.00 -1.17 -4.94 105.19 111.09 2hna n GLY 48 Ca -0.16 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.19 1.46 0.18 -0.61 -1.09 -1.16 -3.58 121.20 113.20 2hna s ILE 49 Ca 0.00 -1.07 0.07 0.00 -2.23 0.00 0.00 60.65 57.42 2hna s ILE 49 Cb 0.00 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 2hna s ILE 49 CO 0.00 0.18 -0.15 0.26 -1.23 0.00 0.00 174.94 174.00 2hna s TRP 50 N -0.75 1.65 -0.02 3.97 0.52 -0.39 -3.15 118.94 120.76 2hna s TRP 50 Ca 0.06 -0.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.57 2hna s TRP 50 Cb -0.08 -0.80 0.01 0.00 -1.15 0.00 0.00 33.47 31.45 2hna s TRP 50 CO 0.01 0.30 0.11 -0.51 0.02 0.00 0.00 176.95 176.87 2hna s LEU 51 N -3.03 1.63 -0.04 2.99 1.43 -0.51 -2.59 118.68 118.57 2hna s LEU 51 Ca 0.18 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2hna s LEU 51 Cb -0.02 0.44 0.00 0.00 0.03 0.00 0.00 46.19 46.64 2hna s LEU 51 CO 0.06 -0.16 -0.13 -0.69 0.23 0.00 0.00 176.35 175.66 2hna s VAL 52 N -0.50 1.10 -0.09 -1.59 1.01 -0.23 -0.74 120.40 119.37 2hna s VAL 52 Ca -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2hna s VAL 52 Cb -0.04 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2hna s VAL 52 CO 0.00 0.33 -0.08 -0.63 0.00 0.00 0.00 175.10 174.72 2hna s ILE 53 N 0.14 0.97 0.00 2.22 1.09 -0.43 -1.07 121.20 124.12 2hna s ILE 53 Ca -0.04 -0.31 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 2hna s ILE 53 Cb -0.10 -0.96 0.00 0.00 -1.06 0.00 0.00 42.46 40.34 2hna s ILE 53 CO 0.01 0.34 0.00 -1.20 -0.10 0.00 0.00 174.94 173.99 2hna n SER 54 N 4.46 0.00 -2.99 3.58 7.64 -1.02 -4.38 113.62 120.91 2hna n SER 54 Ca -0.17 -0.75 -0.15 0.00 1.01 0.00 0.00 58.87 58.81 2hna n SER 54 Cb 0.51 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.60 -0.74 0.14 6.43 7.64 -1.26 -1.62 113.62 123.60 2hna n SER 55 Ca 0.00 -3.23 0.18 0.00 1.01 0.00 0.00 58.87 56.83 2hna n SER 55 Cb 0.00 0.50 0.77 0.00 -1.01 0.00 0.00 64.21 64.47 2hna n SER 55 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2hna h THR 56 N 2.03 0.52 0.00 0.44 1.35 -1.88 0.53 112.91 115.91 2hna h THR 56 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2hna h THR 56 Cb 1.01 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2hna h THR 56 CO 0.35 0.00 -0.02 -0.74 -0.25 0.00 0.00 175.52 174.87 2hna h HIS 57 N 0.00 0.00 0.00 4.73 6.17 -1.87 -3.38 115.15 120.79 2hna h HIS 57 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.22 2hna h HIS 57 Cb 0.72 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.65 2hna h HIS 57 CO 0.00 0.02 0.00 0.41 0.71 0.00 0.00 177.93 179.07 2hna n GLY 58 N -1.08 0.00 0.84 5.26 0.00 -0.72 -4.68 105.19 104.80 2hna n GLY 58 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 2.23 -1.22 4.61 0.00 0.10 -5.02 120.51 121.21 2hna n ALA 59 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 53.44 51.42 2hna n ALA 59 Cb 0.00 -0.57 0.12 0.00 0.00 0.00 0.00 19.45 19.00 2hna n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2hna s GLY 60 N -1.61 1.63 0.43 0.00 0.00 -0.99 -4.46 107.32 102.34 2hna s GLY 60 Ca 0.16 0.03 0.23 0.00 0.00 0.00 0.00 44.72 45.15 2hna s GLY 60 CO -0.06 0.48 1.81 -1.80 0.00 0.00 0.00 173.10 173.53 2hna h ASP 61 N -1.43 0.00 -5.03 1.64 3.58 -1.94 -3.43 116.42 109.80 2hna h ASP 61 Ca -0.48 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.84 2hna h ASP 61 Cb 1.27 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.13 2hna h ASP 61 CO 0.54 0.24 -0.52 -0.51 -2.88 0.00 0.00 179.24 176.11 2hna s ILE 62 N -3.64 0.11 0.44 2.25 1.10 -1.26 -5.04 121.20 115.15 2hna s ILE 62 Ca 0.01 -0.89 0.18 0.00 -0.51 0.00 0.00 60.65 59.44 2hna s ILE 62 Cb 0.10 -0.63 0.38 0.00 0.15 0.00 0.00 42.46 42.46 2hna s ILE 62 CO 0.64 -0.49 1.89 -0.65 -2.11 0.00 0.00 174.94 174.22 2hna h PRO 63 N 4.01 0.35 -0.15 3.50 0.11 -1.97 -1.14 132.00 136.70 2hna h PRO 63 Ca -0.32 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 2hna h PRO 63 Cb 1.19 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2hna h PRO 63 CO 0.45 0.23 -0.04 0.22 -0.21 0.00 0.00 178.00 178.65 2hna h ASP 64 N 0.36 0.30 -3.83 -2.05 3.58 -1.95 -3.41 116.42 109.42 2hna h ASP 64 Ca 0.42 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2hna h ASP 64 Cb 1.10 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2hna h ASP 64 CO -0.14 0.61 -0.92 -3.20 -2.88 0.00 0.00 179.24 172.72 2hna n ASN 65 N -4.68 -8.39 -3.82 2.28 5.15 -0.43 -4.39 115.26 100.97 2hna n ASN 65 Ca -0.05 1.43 -0.25 0.00 -0.60 0.00 0.00 54.58 55.10 2hna n ASN 65 Cb 0.27 -5.03 0.02 0.00 -0.53 0.00 0.00 39.78 34.51 2hna n ASN 65 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2hna n LEU 66 N -1.47 -2.75 -0.04 1.20 4.77 -1.26 -4.85 117.00 112.59 2hna n LEU 66 Ca 0.00 -0.84 -0.14 0.00 -0.03 0.00 0.00 56.01 55.00 2hna n LEU 66 Cb 0.16 -2.55 -0.12 0.00 -2.33 0.00 0.00 43.42 38.58 2hna n LEU 66 CO 0.00 0.43 0.47 0.28 -1.33 0.00 0.00 177.39 177.24 2hna h SER 67 N -1.93 0.05 -0.13 -1.43 0.02 -1.92 0.13 113.55 108.33 2hna h SER 67 Ca -0.60 -0.79 -0.07 0.00 -0.84 0.00 0.00 61.79 59.48 2hna h SER 67 Cb 1.37 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 2hna h SER 67 CO 0.62 0.83 -0.13 1.55 -1.14 0.00 0.00 176.83 178.56 2hna h PRO 68 N -0.73 0.49 0.11 3.45 0.13 -1.93 -1.70 132.00 131.83 2hna h PRO 68 Ca -0.01 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2hna h PRO 68 Cb 0.84 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 2hna h PRO 68 CO 0.01 0.62 -0.07 0.74 -0.23 0.00 0.00 178.00 179.07 2hna h PHE 69 N 0.46 -0.17 -0.36 1.56 -1.00 -1.94 -0.35 116.94 115.14 2hna h PHE 69 Ca 0.08 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.92 2hna h PHE 69 Cb 0.50 0.06 -0.05 0.00 3.61 0.00 0.00 35.95 40.07 2hna h PHE 69 CO 0.02 -0.11 0.06 -0.92 -1.61 0.00 0.00 178.31 175.75 2hna h TYR 70 N -0.18 0.10 -0.54 -0.55 3.20 -0.23 -0.70 116.97 118.07 2hna h TYR 70 Ca -0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2hna h TYR 70 Cb 0.14 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2hna h TYR 70 CO -0.08 0.01 0.05 0.93 -1.64 0.00 0.00 178.16 177.43 2hna h GLU 71 N 0.18 0.93 -0.47 1.82 5.08 -1.24 -3.09 114.58 117.79 2hna h GLU 71 Ca 0.17 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2hna h GLU 71 Cb 0.20 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2hna h GLU 71 CO -0.23 0.92 0.02 0.00 -1.00 0.00 0.00 179.01 178.71 2hna h ALA 72 N 0.97 1.16 0.37 3.43 0.00 -0.49 -2.12 119.26 122.59 2hna h ALA 72 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2hna h ALA 72 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2hna h ALA 72 CO 0.02 0.55 -0.39 -0.07 0.00 0.00 0.00 179.25 179.35 2hna h LEU 73 N 0.71 -1.07 -0.90 0.00 3.38 -1.06 -2.22 115.31 114.15 2hna h LEU 73 Ca 0.14 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2hna h LEU 73 Cb 0.41 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2hna h LEU 73 CO 0.01 -0.53 0.00 0.06 0.09 0.00 0.00 178.44 178.07 2hna h GLN 74 N -0.79 0.00 -0.03 1.13 3.07 -1.53 0.12 115.11 117.08 2hna h GLN 74 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.55 2hna h GLN 74 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.26 2hna h GLN 74 CO -0.08 0.00 -0.71 1.49 0.09 0.00 0.00 178.83 179.62 2hna h GLU 75 N 0.00 0.17 0.00 0.06 4.81 -0.76 -3.39 114.58 115.47 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 0.36 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2hna h GLU 75 CO 0.00 0.81 -0.96 0.00 -0.73 0.00 0.00 179.01 178.12 2hna n GLN 76 N -3.77 3.81 -2.89 1.92 10.64 -1.03 -5.07 117.38 120.98 2hna n GLN 76 Ca -0.02 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.06 2hna n GLN 76 Cb 0.69 -0.98 0.00 0.00 -0.86 0.00 0.00 30.24 29.09 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 -1.95 -0.52 -0.35 2.61 5.02 0.38 -4.94 118.16 118.42 2hna n LYS 77 Ca 0.00 0.25 -0.28 0.00 -2.02 0.00 0.00 58.31 56.26 2hna n LYS 77 Cb 0.48 -0.73 0.26 0.00 -0.02 0.00 0.00 35.03 35.02 2hna n LYS 77 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2hna n PRO 78 N -1.17 -3.84 -2.73 1.97 -0.04 -1.26 -4.91 135.00 123.02 2hna n PRO 78 Ca -0.11 -1.13 -0.43 0.00 -0.04 0.00 0.00 63.50 61.79 2hna n PRO 78 Cb 0.23 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2hna n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hna n ASP 79 N -4.81 5.21 0.00 3.54 2.03 -1.26 -4.69 116.55 116.56 2hna n ASP 79 Ca 0.09 -3.04 0.05 0.00 0.52 0.00 0.00 54.79 52.41 2hna n ASP 79 Cb 0.56 -1.53 0.31 0.00 -0.72 0.00 0.00 41.12 39.74 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 4.82 0.00 0.00 -2.67 7.99 -0.74 -4.01 117.00 122.40 2hna n LEU 80 Ca 0.37 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.41 2hna n LEU 80 Cb 0.40 0.00 0.20 0.00 -0.11 0.00 0.00 43.42 43.91 2hna n LEU 80 CO 0.69 0.00 0.55 -1.20 -1.51 0.00 0.00 177.39 175.93 2hna n SER 81 N -0.72 0.00 -0.73 -1.43 7.64 -1.25 -0.88 113.62 116.25 2hna n SER 81 Ca 0.08 0.16 0.07 0.00 1.01 0.00 0.00 58.87 60.18 2hna n SER 81 Cb 0.04 -0.28 0.17 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.28 2.24 -2.23 -0.43 0.00 -1.26 -4.94 120.51 112.63 2hna n ALA 82 Ca 0.04 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 2hna n ALA 82 Cb 0.06 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.01 1.00 0.12 0.00 0.11 -0.05 -3.05 120.40 117.51 2hna s VAL 83 Ca 0.26 -2.02 0.06 0.00 -2.93 0.00 0.00 61.98 57.35 2hna s VAL 83 Cb 0.14 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2hna s VAL 83 CO 0.19 -0.75 -0.14 0.00 -3.33 0.00 0.00 175.10 171.06 2hna s ARG 84 N -3.79 1.02 0.38 1.54 1.70 -1.23 -3.76 118.95 114.82 2hna s ARG 84 Ca 0.16 -1.22 0.04 0.00 -0.47 0.00 0.00 55.73 54.24 2hna s ARG 84 Cb 0.04 -0.94 -0.04 0.00 -0.57 0.00 0.00 34.95 33.44 2hna s ARG 84 CO -0.00 0.18 0.07 -0.59 -1.08 0.00 0.00 175.30 173.89 2hna s PHE 85 N -2.03 1.92 0.05 5.89 -0.71 -0.29 -1.26 117.98 121.55 2hna s PHE 85 Ca 0.08 -1.06 -0.02 0.00 -1.04 0.00 0.00 56.93 54.89 2hna s PHE 85 Cb -0.06 -1.31 -0.03 0.00 -1.21 0.00 0.00 43.02 40.42 2hna s PHE 85 CO 0.03 -0.05 0.01 0.20 -1.34 0.00 0.00 175.22 174.07 2hna s GLY 86 N -3.59 0.36 -0.10 1.99 0.00 -1.07 -1.52 107.32 103.40 2hna s GLY 86 Ca 0.28 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2hna s GLY 86 CO 0.14 -1.09 -0.13 0.00 0.00 0.00 0.00 173.10 172.01 2hna s ALA 87 N -3.39 1.55 -0.04 3.20 0.00 -1.26 -1.06 121.76 120.76 2hna s ALA 87 Ca 0.02 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2hna s ALA 87 Cb 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2hna s ALA 87 CO -0.08 -0.11 -0.12 0.42 0.00 0.00 0.00 175.76 175.86 2hna s ILE 88 N 1.07 1.08 0.00 0.00 1.01 -0.23 -0.74 121.20 123.39 2hna s ILE 88 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2hna s ILE 88 Cb -0.15 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2hna s ILE 88 CO -0.02 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.86 2hna n GLY 89 N 3.39 1.98 3.37 6.18 0.00 0.15 -2.43 105.19 117.82 2hna n GLY 89 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 1.17 0.00 -0.61 5.41 -0.64 -4.36 119.36 120.33 2hna n ILE 90 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2hna n ILE 90 Cb 0.00 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 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 2.02 0.49 3.73 7.39 0.00 -1.26 -4.78 105.19 112.78 2hna n GLY 91 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2hna n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hna s SER 92 N -0.10 6.44 0.24 1.61 0.01 -1.26 -4.80 113.70 115.84 2hna s SER 92 Ca 0.00 2.83 -0.09 0.00 1.31 0.00 0.00 55.95 60.00 2hna s SER 92 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 2hna s SER 92 CO 0.00 -0.90 0.40 -0.13 0.41 0.00 0.00 173.24 173.02 2hna s ARG 93 N 0.42 1.49 0.65 12.44 0.52 -1.26 -4.88 118.95 128.33 2hna s ARG 93 Ca 0.68 -1.38 0.33 0.00 -0.52 0.00 0.00 55.73 54.84 2hna s ARG 93 Cb -0.47 0.42 1.81 0.00 0.52 0.00 0.00 34.95 37.23 2hna s ARG 93 CO 0.39 -0.60 2.06 0.93 0.02 0.00 0.00 175.30 178.10 2hna h GLU 94 N 2.33 0.00 -0.04 3.54 5.08 -1.95 -1.01 114.58 122.53 2hna h GLU 94 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2hna h GLU 94 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2hna h GLU 94 CO 0.40 0.00 0.00 2.48 -1.00 0.00 0.00 179.01 180.89 2hna n TYR 95 N -3.17 0.05 -0.76 4.33 0.18 -1.26 -4.55 117.16 111.99 2hna n TYR 95 Ca -0.01 -0.24 0.08 0.00 1.88 0.00 0.00 57.90 59.62 2hna n TYR 95 Cb 0.32 -0.02 0.36 0.00 -0.38 0.00 0.00 39.34 39.62 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2hna n ASP 96 N -0.04 4.98 -0.38 9.48 2.03 -0.38 -4.76 116.55 127.48 2hna n ASP 96 Ca 0.02 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.64 2hna n ASP 96 Cb 0.18 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 0.72 0.00 -0.02 5.18 -2.24 -1.24 -1.29 114.28 115.38 2hna n THR 97 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2hna n THR 97 Cb 1.00 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.06 0.00 -2.11 4.78 7.35 -1.26 -4.73 117.46 121.56 2hna n PHE 98 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 2hna n PHE 98 Cb 0.10 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.96 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 0.03 2.77 0.44 0.00 0.00 -1.02 -4.31 105.19 103.09 2hna n GLY 100 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 101 N -3.00 1.67 -2.85 4.61 0.00 -1.26 -4.75 120.51 114.93 2hna n ALA 101 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2hna n ALA 101 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 2hna n ALA 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hna n ILE 102 N 0.19 -0.69 -0.93 0.00 5.41 -1.26 -1.43 119.36 120.65 2hna n ILE 102 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 2hna n ILE 102 Cb 0.09 -1.57 -0.01 0.00 -0.71 0.00 0.00 39.64 37.44 2hna n ILE 102 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2hna n ASP 103 N -1.98 -5.07 -0.19 4.38 2.03 -1.26 -4.87 116.55 109.59 2hna n ASP 103 Ca -0.07 0.05 -0.09 0.00 0.52 0.00 0.00 54.79 55.20 2hna n ASP 103 Cb 0.57 -3.19 0.02 0.00 -0.72 0.00 0.00 41.12 37.80 2hna n ASP 103 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2hna h LYS 104 N 0.00 0.89 0.28 -0.67 1.57 -1.65 0.23 116.57 117.22 2hna h LYS 104 Ca -0.04 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2hna h LYS 104 Cb 0.89 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2hna h LYS 104 CO 0.06 0.85 -0.13 1.25 -0.57 0.00 0.00 179.45 180.91 2hna h LEU 105 N 0.78 -0.32 -0.82 2.94 7.12 -1.90 -1.17 115.31 121.95 2hna h LEU 105 Ca 0.17 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 2hna h LEU 105 Cb 0.38 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 2hna h LEU 105 CO 0.01 -0.12 0.47 -0.33 -0.13 0.00 0.00 178.44 178.34 2hna h GLU 106 N -0.50 1.13 -0.05 1.25 3.07 -1.94 -2.16 114.58 115.38 2hna h GLU 106 Ca -0.04 -0.12 0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2hna h GLU 106 Cb 0.38 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2hna h GLU 106 CO 0.06 0.81 0.01 0.00 -1.40 0.00 0.00 179.01 178.50 2hna h ALA 107 N 1.25 0.05 -0.80 3.43 0.00 -0.73 -1.25 119.26 121.20 2hna h ALA 107 Ca 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2hna h ALA 107 Cb -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2hna h ALA 107 CO -0.05 -0.47 0.39 0.93 0.00 0.00 0.00 179.25 180.05 2hna h GLU 108 N 0.03 1.15 -0.38 0.00 4.39 -0.97 -0.11 114.58 118.69 2hna h GLU 108 Ca 0.02 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.58 2hna h GLU 108 Cb 0.02 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2hna h GLU 108 CO -0.03 0.88 0.21 -0.07 -1.16 0.00 0.00 179.01 178.84 2hna h LEU 109 N 1.14 0.33 -0.48 1.33 3.38 -0.92 -0.08 115.31 120.02 2hna h LEU 109 Ca 0.28 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 2hna h LEU 109 Cb 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2hna h LEU 109 CO -0.04 0.24 -0.11 0.11 0.09 0.00 0.00 178.44 178.73 2hna h LYS 110 N 0.43 0.91 -0.07 1.13 1.57 -0.84 -2.68 116.57 117.03 2hna h LYS 110 Ca 0.16 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2hna h LYS 110 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2hna h LYS 110 CO -0.09 1.00 -0.10 -0.97 -0.57 0.00 0.00 179.45 178.72 2hna h ASN 111 N 0.76 0.10 0.98 0.86 -1.24 -0.71 -1.96 115.58 114.37 2hna h ASN 111 Ca 0.12 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2hna h ASN 111 Cb 0.66 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.68 2hna h ASN 111 CO 0.05 0.22 0.00 -1.20 -1.29 0.00 0.00 177.43 175.20 2hna n SER 112 N -4.36 0.60 0.00 1.15 7.64 -0.07 -4.89 113.62 113.69 2hna n SER 112 Ca -0.02 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2hna n SER 112 Cb 0.21 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2hna n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hna n GLY 113 N 0.56 1.29 3.68 0.23 0.00 -0.74 -1.80 105.19 108.42 2hna n GLY 113 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.51 1.09 0.04 4.61 0.00 -1.16 -3.80 121.76 122.04 2hna s ALA 114 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2hna s ALA 114 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2hna s ALA 114 CO 0.00 -2.72 -0.26 -1.59 0.00 0.00 0.00 175.76 171.19 2hna s LYS 115 N -4.93 1.76 -0.59 0.00 -2.85 -1.25 -4.35 119.74 107.54 2hna s LYS 115 Ca 0.65 -1.09 -0.26 0.00 -1.00 0.00 0.00 55.97 54.27 2hna s LYS 115 Cb -0.19 -1.93 0.04 0.00 -2.06 0.00 0.00 37.83 33.70 2hna s LYS 115 CO 0.58 0.50 1.07 -1.14 0.10 0.00 0.00 175.35 176.45 2hna s GLN 116 N -1.22 3.36 0.61 1.78 0.74 -1.26 -1.14 119.66 122.53 2hna s GLN 116 Ca 0.11 -0.14 -0.16 0.00 0.05 0.00 0.00 55.36 55.22 2hna s GLN 116 Cb -0.10 -4.07 -0.02 0.00 1.10 0.00 0.00 33.01 29.92 2hna s GLN 116 CO 0.02 -1.66 1.11 0.99 -0.55 0.00 0.00 175.29 175.20 2hna s THR 117 N 4.50 3.30 0.00 -0.34 2.01 -0.57 -4.74 115.64 119.79 2hna s THR 117 Ca 0.34 0.66 0.00 0.00 0.31 0.00 0.00 61.69 63.01 2hna s THR 117 Cb -0.11 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2hna s THR 117 CO 0.20 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2hna n GLY 118 N -0.38 1.81 3.55 4.40 0.00 -1.26 -4.75 105.19 108.57 2hna n GLY 118 Ca 0.10 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 1.98 -0.09 1.61 -1.05 -1.26 -5.12 118.70 114.76 2hna s GLU 119 Ca 0.00 -1.70 -0.37 0.00 -0.15 0.00 0.00 54.97 52.76 2hna s GLU 119 Cb 0.00 0.48 -0.14 0.00 -0.44 0.00 0.00 34.13 34.03 2hna s GLU 119 CO 0.00 -0.85 1.70 2.41 0.95 0.00 0.00 175.26 179.48 2hna n THR 120 N -0.56 0.31 -3.41 1.83 -1.04 -1.26 -4.71 114.28 105.44 2hna n THR 120 Ca -0.01 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.05 61.67 2hna n THR 120 Cb 0.61 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 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 2.87 4.08 0.03 -4.42 0.20 0.08 -5.01 118.68 116.51 2hna s LEU 121 Ca 0.92 0.60 0.00 0.00 0.69 0.00 0.00 54.13 56.34 2hna s LEU 121 Cb -0.87 -3.42 -0.02 0.00 -0.43 0.00 0.00 46.19 41.45 2hna s LEU 121 CO 0.54 -0.19 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.83 2hna s LYS 122 N -3.67 0.39 -0.08 1.98 1.02 -1.26 -0.68 119.74 117.44 2hna s LYS 122 Ca 0.42 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 55.66 2hna s LYS 122 Cb -0.11 0.06 0.05 0.00 -0.52 0.00 0.00 37.83 37.31 2hna s LYS 122 CO 0.31 -0.04 0.17 0.96 -0.92 0.00 0.00 175.35 175.83 2hna s ILE 123 N -1.79 -0.17 0.23 2.17 -5.25 -1.26 -0.98 121.20 114.15 2hna s ILE 123 Ca -0.12 0.26 -0.14 0.00 -0.99 0.00 0.00 60.65 59.66 2hna s ILE 123 Cb -0.08 -0.30 0.05 0.00 2.95 0.00 0.00 42.46 45.09 2hna s ILE 123 CO -0.02 0.11 0.72 -3.20 -1.79 0.00 0.00 174.94 170.76 2hna n ASN 124 N 4.80 -1.61 -3.54 4.36 4.05 -1.26 -4.71 115.26 117.35 2hna n ASN 124 Ca -0.15 -2.00 -0.11 0.00 0.45 0.00 0.00 54.58 52.77 2hna n ASN 124 Cb 0.51 2.65 -0.04 0.00 1.23 0.00 0.00 39.78 44.13 2hna n ASN 124 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 2hna s ILE 125 N -2.23 0.00 0.40 -1.44 2.07 -1.26 -4.32 121.20 114.42 2hna s ILE 125 Ca 0.15 -1.43 0.14 0.00 -1.41 0.00 0.00 60.65 58.10 2hna s ILE 125 Cb -0.03 -2.48 0.35 0.00 0.13 0.00 0.00 42.46 40.43 2hna s ILE 125 CO 0.07 0.00 1.88 0.25 -1.91 0.00 0.00 174.94 175.23 2hna h LEU 126 N 2.16 0.50 -7.43 8.50 6.46 -2.03 -3.04 115.31 120.42 2hna h LEU 126 Ca -0.28 0.04 -0.56 0.00 -0.12 0.00 0.00 57.88 56.96 2hna h LEU 126 Cb 1.25 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 2hna h LEU 126 CO 0.38 0.24 1.96 -0.67 -0.62 0.00 0.00 178.44 179.73 2hna n ASP 127 N -4.53 3.78 -4.60 1.25 2.03 -1.26 -4.96 116.55 108.28 2hna n ASP 127 Ca 0.17 -2.80 -0.34 0.00 0.52 0.00 0.00 54.79 52.35 2hna n ASP 127 Cb 0.56 -1.64 0.11 0.00 -0.72 0.00 0.00 41.12 39.44 2hna n ASP 127 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2hna n HIS 128 N 10.01 0.37 -3.98 -0.67 8.25 -1.15 -5.08 115.22 122.97 2hna n HIS 128 Ca 0.48 0.37 -0.00 0.00 -0.26 0.00 0.00 57.72 58.30 2hna n HIS 128 Cb 0.44 -2.01 -0.00 0.00 1.12 0.00 0.00 29.99 29.54 2hna n HIS 128 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hna n ASP 129 N -2.31 -0.02 -0.13 0.41 8.00 -1.26 -5.02 116.55 116.22 2hna n ASP 129 Ca 0.12 -1.05 -0.04 0.00 0.71 0.00 0.00 54.79 54.53 2hna n ASP 129 Cb 0.51 0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 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 1.02 0.53 -0.68 0.53 5.03 -1.97 -2.20 117.51 119.78 2hna h ILE 130 Ca -0.01 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.68 2hna h ILE 130 Cb 0.03 0.53 -0.03 0.00 -3.03 0.00 0.00 36.82 34.32 2hna h ILE 130 CO 0.01 0.00 0.20 1.55 -0.68 0.00 0.00 178.15 179.23 2hna h PRO 131 N -0.02 1.05 0.00 2.37 0.13 -1.88 -3.46 132.00 130.19 2hna h PRO 131 Ca 0.21 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2hna h PRO 131 Cb 0.34 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.32 2hna h PRO 131 CO -0.46 0.91 0.00 -1.91 -0.23 0.00 0.00 178.00 176.31 2hna n GLU 132 N -4.26 0.00 -3.70 0.86 2.13 -0.83 -4.85 120.64 110.00 2hna n GLU 132 Ca 0.05 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 2hna n GLU 132 Cb 0.23 -1.20 -0.14 0.00 0.27 0.00 0.00 31.44 30.59 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 -0.37 0.25 0.69 4.31 2.15 -1.26 -4.57 116.67 117.88 2hna s ASP 133 Ca 0.00 0.41 -0.13 0.00 0.43 0.00 0.00 52.55 53.27 2hna s ASP 133 Cb 0.00 0.37 0.01 0.00 -0.30 0.00 0.00 42.92 43.00 2hna s ASP 133 CO 0.00 -0.20 1.09 -2.16 -0.17 0.00 0.00 175.17 173.72 2hna s PRO 134 N 1.84 2.71 -0.27 4.34 0.04 -1.26 -4.14 135.00 138.26 2hna s PRO 134 Ca -0.03 1.22 0.22 0.00 0.04 0.00 0.00 61.00 62.46 2hna s PRO 134 Cb -0.12 -1.95 0.50 0.00 0.04 0.00 0.00 34.50 32.98 2hna s PRO 134 CO -0.07 -1.30 1.09 0.00 0.04 0.00 0.00 177.00 176.77 2hna n ALA 135 N -2.84 2.69 0.31 8.56 0.00 -0.16 -4.91 120.51 124.17 2hna n ALA 135 Ca 0.09 -2.80 0.18 0.00 0.00 0.00 0.00 53.44 50.91 2hna n ALA 135 Cb 0.53 -0.88 0.95 0.00 0.00 0.00 0.00 19.45 20.05 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 2.65 0.00 -0.02 0.00 4.11 -1.95 -0.72 114.58 118.64 2hna h GLU 136 Ca -0.13 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.31 2hna h GLU 136 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2hna h GLU 136 CO 0.22 0.00 0.02 0.93 0.07 0.00 0.00 179.01 180.25 2hna h GLU 137 N 0.00 0.00 -0.75 1.06 5.08 -1.97 -0.58 114.58 117.42 2hna h GLU 137 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2hna h GLU 137 Cb 0.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2hna h GLU 137 CO 0.00 0.00 0.44 -1.49 -1.00 0.00 0.00 179.01 176.96 2hna h TRP 138 N 0.00 1.00 -0.03 4.33 -0.00 -1.55 -0.86 115.95 118.84 2hna h TRP 138 Ca 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2hna h TRP 138 Cb 0.06 -0.33 -0.00 0.00 -0.00 0.00 0.00 29.16 28.89 2hna h TRP 138 CO 0.00 0.68 0.01 1.25 -0.00 0.00 0.00 178.44 180.38 2hna h LEU 139 N 1.03 0.04 -0.54 -4.49 5.85 -1.30 0.12 115.31 116.01 2hna h LEU 139 Ca 0.27 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.93 2hna h LEU 139 Cb -0.01 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 2hna h LEU 139 CO -0.05 0.17 0.16 1.23 -0.34 0.00 0.00 178.44 179.62 2hna h GLY 140 N -0.10 0.71 0.89 3.75 0.00 -1.36 0.73 103.07 107.69 2hna h GLY 140 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2hna h GLY 140 CO -0.00 -0.04 -0.39 1.76 0.00 0.00 0.00 176.54 177.87 2hna h SER 141 N 0.32 -0.93 -0.92 0.19 0.02 -0.93 -1.10 113.55 110.20 2hna h SER 141 Ca 0.27 0.02 0.20 0.00 -0.84 0.00 0.00 61.79 61.44 2hna h SER 141 Cb 0.34 0.24 -0.11 0.00 0.14 0.00 0.00 62.40 63.01 2hna h SER 141 CO -0.30 -0.60 0.48 -0.25 -1.14 0.00 0.00 176.83 175.01 2hna h TRP 142 N -1.22 0.82 0.69 3.45 7.01 -0.55 -0.17 115.95 125.97 2hna h TRP 142 Ca -0.11 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.89 2hna h TRP 142 Cb 0.85 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2hna h TRP 142 CO -0.00 0.08 -0.33 0.28 -2.79 0.00 0.00 178.44 175.68 2hna h VAL 143 N 0.56 0.18 0.00 2.65 2.07 -0.82 -2.80 116.25 118.09 2hna h VAL 143 Ca 0.55 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2hna h VAL 143 Cb 0.95 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2hna h VAL 143 CO -0.45 0.02 0.00 -0.55 0.02 0.00 0.00 177.57 176.61 2hna h ASN 144 N -1.12 0.00 -0.06 0.57 7.08 -0.04 -0.05 115.58 121.96 2hna h ASN 144 Ca -0.09 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 52.91 2hna h ASN 144 Cb 0.74 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.99 2hna h ASN 144 CO 0.16 0.00 -0.79 -0.07 -2.08 0.00 0.00 177.43 174.64 2hna h LEU 145 N 0.00 0.79 -0.01 6.14 4.07 -1.08 -3.35 115.31 121.87 2hna h LEU 145 Ca 0.00 -0.70 -0.22 0.00 0.08 0.00 0.00 57.88 57.04 2hna h LEU 145 Cb 0.25 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 2hna h LEU 145 CO 0.00 1.38 -1.03 0.17 -1.08 0.00 0.00 178.44 177.87 2hna h LEU 146 N 0.28 0.11 0.00 1.67 8.10 -0.80 -3.51 115.31 121.15 2hna h LEU 146 Ca -0.08 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 57.79 2hna h LEU 146 Cb 1.45 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 41.63 2hna h LEU 146 CO 0.16 1.07 0.00 0.29 -4.11 0.00 0.00 178.44 175.85