#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 -0.58 -0.11 -5.12 0.00 -1.26 -4.60 121.76 110.09 2hna s ALA 2 Ca 0.00 -0.47 0.20 0.00 0.00 0.00 0.00 51.96 51.69 2hna s ALA 2 Cb 0.00 0.84 -0.26 0.00 0.00 0.00 0.00 23.12 23.70 2hna s ALA 2 CO 0.00 -0.73 0.44 -3.47 0.00 0.00 0.00 175.76 171.99 2hna n ASP 3 N -0.28 0.18 -3.87 0.00 2.03 0.70 -4.91 116.55 110.39 2hna n ASP 3 Ca -0.09 0.08 -0.21 0.00 0.52 0.00 0.00 54.79 55.08 2hna n ASP 3 Cb 0.63 1.32 -0.17 0.00 -0.72 0.00 0.00 41.12 42.18 2hna n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hna s ILE 4 N -3.10 0.55 -0.12 5.18 1.01 -0.97 -2.84 121.20 120.91 2hna s ILE 4 Ca -0.07 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 2hna s ILE 4 Cb 0.10 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 2hna s ILE 4 CO 0.86 0.25 0.68 0.28 0.00 0.00 0.00 174.94 177.01 2hna s THR 5 N 1.22 5.03 -0.63 2.92 -1.32 -1.16 -1.27 115.64 120.43 2hna s THR 5 Ca -0.06 1.35 -0.12 0.00 -1.21 0.00 0.00 61.69 61.65 2hna s THR 5 Cb -0.14 -4.01 0.16 0.00 -1.51 0.00 0.00 72.50 67.01 2hna s THR 5 CO -0.02 0.19 0.54 -0.76 -2.21 0.00 0.00 174.62 172.36 2hna s LEU 6 N 1.30 6.12 -0.30 9.08 2.01 -0.24 -1.46 118.68 135.19 2hna s LEU 6 Ca 0.34 -2.26 -0.19 0.00 0.01 0.00 0.00 54.13 52.03 2hna s LEU 6 Cb -0.17 -2.11 -0.01 0.00 0.01 0.00 0.00 46.19 43.91 2hna s LEU 6 CO 0.14 -0.66 0.59 -0.63 1.01 0.00 0.00 176.35 176.80 2hna s ILE 7 N 0.85 4.98 0.27 -0.59 1.01 -0.01 -1.86 121.20 125.85 2hna s ILE 7 Ca 0.10 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.56 2hna s ILE 7 Cb -0.21 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 2hna s ILE 7 CO -0.03 -0.11 0.05 -0.44 0.00 0.00 0.00 174.94 174.42 2hna s SER 8 N 1.64 1.78 -0.94 3.58 0.01 -0.52 -0.83 113.70 118.42 2hna s SER 8 Ca 0.23 -1.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.11 2hna s SER 8 Cb -0.15 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.12 2hna s SER 8 CO 0.11 -0.62 0.70 0.61 0.41 0.00 0.00 173.24 174.45 2hna n GLY 9 N -0.53 -0.07 0.00 3.44 0.00 -1.25 -2.95 105.19 103.84 2hna n GLY 9 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.42 0.00 -0.96 1.61 7.64 -1.26 -1.62 113.62 117.61 2hna n SER 10 Ca -0.01 -0.08 0.02 0.00 1.01 0.00 0.00 58.87 59.80 2hna n SER 10 Cb 0.55 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.98 1.92 -3.43 0.44 -1.04 -1.26 -3.62 114.28 106.30 2hna n THR 11 Ca 0.02 -3.05 -0.19 0.00 -2.04 0.00 0.00 64.05 58.79 2hna n THR 11 Cb 0.01 -0.14 0.03 0.00 -1.82 0.00 0.00 70.33 68.41 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 -0.83 -4.41 0.00 -4.42 7.94 -0.64 -4.94 117.00 109.70 2hna n LEU 12 Ca 0.20 -0.69 0.00 0.00 -1.11 0.00 0.00 56.01 54.41 2hna n LEU 12 Cb 0.79 -2.73 0.00 0.00 0.53 0.00 0.00 43.42 42.01 2hna n LEU 12 CO 0.02 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 176.86 2hna n GLY 13 N -1.60 5.03 3.57 -3.96 0.00 -0.69 -5.12 105.19 102.42 2hna n GLY 13 Ca -0.09 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 2hna n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hna s GLY 14 N 0.00 -0.43 -0.21 -0.02 0.00 -1.26 -4.44 107.32 100.95 2hna s GLY 14 Ca 0.00 0.36 0.18 0.00 0.00 0.00 0.00 44.72 45.25 2hna s GLY 14 CO 0.00 0.12 1.24 0.00 0.00 0.00 0.00 173.10 174.46 2hna n ALA 15 N -0.38 2.79 -0.25 3.20 0.00 -1.26 -4.64 120.51 119.97 2hna n ALA 15 Ca -0.11 -1.88 0.14 0.00 0.00 0.00 0.00 53.44 51.58 2hna n ALA 15 Cb 0.63 -0.77 0.42 0.00 0.00 0.00 0.00 19.45 19.73 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 1.53 0.58 -0.35 0.00 5.08 -1.97 -0.34 114.58 119.11 2hna h GLU 16 Ca -0.30 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2hna h GLU 16 Cb 1.40 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2hna h GLU 16 CO -0.01 0.38 0.18 -0.92 -1.00 0.00 0.00 179.01 177.65 2hna h TYR 17 N 0.59 0.34 -0.06 4.33 3.20 -1.99 0.46 116.97 123.85 2hna h TYR 17 Ca 0.45 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.27 2hna h TYR 17 Cb 0.84 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2hna h TYR 17 CO -0.00 0.19 -0.21 0.28 -1.64 0.00 0.00 178.16 176.78 2hna h VAL 18 N 0.38 1.44 -0.66 1.81 2.07 -1.67 -2.72 116.25 116.89 2hna h VAL 18 Ca 0.14 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 2hna h VAL 18 Cb 0.04 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2hna h VAL 18 CO -0.09 0.45 0.28 0.00 0.02 0.00 0.00 177.57 178.23 2hna h ALA 19 N 0.43 0.86 -0.27 1.67 0.00 -0.97 -0.58 119.26 120.40 2hna h ALA 19 Ca -0.01 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 2hna h ALA 19 Cb 0.84 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2hna h ALA 19 CO 0.04 0.47 -0.52 1.49 0.00 0.00 0.00 179.25 180.73 2hna h GLU 20 N 0.94 0.77 -0.18 0.00 4.81 -0.99 -0.30 114.58 119.62 2hna h GLU 20 Ca 0.22 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2hna h GLU 20 Cb 0.19 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2hna h GLU 20 CO -0.02 1.10 0.10 1.25 -0.73 0.00 0.00 179.01 180.71 2hna h HIS 21 N 0.60 0.25 0.12 0.92 2.76 -1.14 -0.18 115.15 118.48 2hna h HIS 21 Ca 0.02 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 2hna h HIS 21 Cb 1.10 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.96 2hna h HIS 21 CO 0.06 0.25 -0.24 -0.07 -1.30 0.00 0.00 177.93 176.63 2hna h LEU 22 N 0.18 -0.67 -0.53 0.26 3.38 -1.06 -2.12 115.31 114.76 2hna h LEU 22 Ca 0.06 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.21 2hna h LEU 22 Cb 0.08 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2hna h LEU 22 CO -0.01 -0.33 0.04 0.00 0.09 0.00 0.00 178.44 178.23 2hna h ALA 23 N 0.31 0.54 0.47 1.53 0.00 -0.86 -0.07 119.26 121.19 2hna h ALA 23 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2hna h ALA 23 Cb 0.46 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2hna h ALA 23 CO -0.13 -0.36 -0.24 1.49 0.00 0.00 0.00 179.25 180.00 2hna h GLU 24 N 0.16 -0.64 -0.73 0.00 4.81 -0.77 -1.45 114.58 115.96 2hna h GLU 24 Ca 0.27 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2hna h GLU 24 Cb 0.40 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2hna h GLU 24 CO -0.41 -0.42 0.48 0.87 -0.73 0.00 0.00 179.01 178.80 2hna h LYS 25 N -0.66 0.92 -0.27 1.92 1.79 -1.06 -0.98 116.57 118.23 2hna h LYS 25 Ca -0.06 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 2hna h LYS 25 Cb 0.52 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2hna h LYS 25 CO 0.09 0.61 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.84 2hna h LEU 26 N 0.95 0.46 -0.44 2.94 3.38 -0.77 -0.23 115.31 121.61 2hna h LEU 26 Ca 0.28 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2hna h LEU 26 Cb -0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2hna h LEU 26 CO -0.07 0.65 -0.49 -0.33 0.09 0.00 0.00 178.44 178.29 2hna h GLU 27 N 0.43 0.76 0.00 1.13 5.08 -0.15 -2.68 114.58 119.15 2hna h GLU 27 Ca 0.08 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2hna h GLU 27 Cb 0.54 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2hna h GLU 27 CO 0.04 1.07 -0.10 0.93 -1.00 0.00 0.00 179.01 179.95 2hna h GLU 28 N 0.60 0.00 0.00 2.33 4.39 -0.90 -1.16 114.58 119.84 2hna h GLU 28 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2hna h GLU 28 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2hna h GLU 28 CO 0.10 0.10 0.00 0.00 -1.16 0.00 0.00 179.01 178.05 2hna n ALA 29 N -2.51 1.75 0.00 3.43 0.00 -0.12 -4.88 120.51 118.18 2hna n ALA 29 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2hna n ALA 29 Cb 0.18 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.20 0.89 0.00 0.00 0.00 -0.44 -5.08 105.19 100.75 2hna n GLY 30 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.94 -4.21 1.61 3.72 -1.12 -5.02 117.46 111.49 2hna n PHE 31 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 2hna n PHE 31 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 2hna n PHE 31 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2hna s THR 32 N 0.12 1.33 0.03 4.37 -4.23 -1.26 -4.33 115.64 111.67 2hna s THR 32 Ca 0.00 -1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 59.07 2hna s THR 32 Cb 0.00 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 2hna s THR 32 CO 0.00 -0.18 0.04 0.42 -0.54 0.00 0.00 174.62 174.36 2hna s THR 33 N -1.28 0.14 -0.37 3.99 -4.23 -1.26 -0.22 115.64 112.42 2hna s THR 33 Ca 0.01 -1.18 0.04 0.00 -1.18 0.00 0.00 61.69 59.38 2hna s THR 33 Cb -0.10 -0.84 0.11 0.00 1.34 0.00 0.00 72.50 73.01 2hna s THR 33 CO 0.03 -0.65 0.09 -0.70 -0.54 0.00 0.00 174.62 172.85 2hna s GLU 34 N -2.53 1.50 -0.11 3.99 2.56 -0.40 -4.80 118.70 118.91 2hna s GLU 34 Ca -0.06 -1.94 -0.30 0.00 0.00 0.00 0.00 54.97 52.67 2hna s GLU 34 Cb -0.02 -3.10 -0.03 0.00 2.00 0.00 0.00 34.13 32.98 2hna s GLU 34 CO -0.05 -0.98 1.38 0.99 -0.56 0.00 0.00 175.26 176.05 2hna s THR 35 N 0.74 4.02 -0.01 -1.70 2.01 -1.26 -1.08 115.64 118.36 2hna s THR 35 Ca 0.12 1.26 -0.09 0.00 0.31 0.00 0.00 61.69 63.29 2hna s THR 35 Cb -0.20 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.50 2hna s THR 35 CO -0.08 -0.09 0.19 -0.76 -0.69 0.00 0.00 174.62 173.19 2hna s LEU 36 N 3.42 1.33 -0.30 4.42 1.43 -0.78 -4.97 118.68 123.23 2hna s LEU 36 Ca 0.61 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2hna s LEU 36 Cb -0.26 0.84 0.31 0.00 0.03 0.00 0.00 46.19 47.11 2hna s LEU 36 CO 0.21 -0.36 1.76 0.00 0.23 0.00 0.00 176.35 178.18 2hna n HIS 37 N 1.55 1.72 -3.93 0.29 1.44 -1.26 -1.43 115.22 113.59 2hna n HIS 37 Ca -0.21 -1.66 -0.25 0.00 -2.01 0.00 0.00 57.72 53.58 2hna n HIS 37 Cb 0.56 -0.82 -0.02 0.00 0.12 0.00 0.00 29.99 29.83 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 -0.11 -0.23 0.29 -1.39 0.00 -1.15 -4.70 105.19 97.90 2hna n GLY 38 Ca 0.33 0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.84 0.00 0.00 1.61 0.13 -1.91 -2.54 132.00 127.46 2hna h PRO 39 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2hna h PRO 39 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2hna h PRO 39 CO 0.62 0.04 -0.02 -0.11 -0.23 0.00 0.00 178.00 178.31 2hna n LEU 40 N -3.31 0.79 0.00 1.56 7.94 -1.26 -5.01 117.00 117.72 2hna n LEU 40 Ca -0.02 -0.84 0.00 0.00 -1.11 0.00 0.00 56.01 54.05 2hna n LEU 40 Cb 0.20 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.14 2hna n LEU 40 CO 0.26 0.21 0.00 -0.11 -1.11 0.00 0.00 177.39 176.64 2hna n LEU 41 N -0.22 0.00 -2.85 -1.96 7.94 -0.96 -4.65 117.00 114.31 2hna n LEU 41 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.84 2hna n LEU 41 Cb 0.42 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.36 2hna n LEU 41 CO 0.00 0.00 0.07 -1.83 -1.11 0.00 0.00 177.39 174.52 2hna s GLU 42 N 0.00 1.05 0.15 1.96 -1.05 -1.26 -4.95 118.70 114.60 2hna s GLU 42 Ca 0.00 -1.16 -0.15 0.00 -0.15 0.00 0.00 54.97 53.51 2hna s GLU 42 Cb 0.00 -0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.51 2hna s GLU 42 CO 0.00 -1.33 1.75 0.22 0.95 0.00 0.00 175.26 176.85 2hna h ASP 43 N 5.16 0.60 -4.03 0.83 3.58 -1.98 -3.41 116.42 117.17 2hna h ASP 43 Ca 0.08 -0.11 -0.46 0.00 0.42 0.00 0.00 57.03 56.97 2hna h ASP 43 Cb 1.09 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 2hna h ASP 43 CO 0.06 0.53 0.30 -0.76 -2.88 0.00 0.00 179.24 176.49 2hna s LEU 44 N -9.93 3.88 0.00 2.28 1.43 -1.26 -5.07 118.68 110.01 2hna s LEU 44 Ca -0.13 1.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.46 2hna s LEU 44 Cb 0.11 -4.44 0.13 0.00 0.03 0.00 0.00 46.19 42.02 2hna s LEU 44 CO 0.75 -0.39 0.42 -0.81 0.23 0.00 0.00 176.35 176.55 2hna n PRO 45 N -0.85 -2.12 0.00 1.29 -0.04 -1.26 -4.85 135.00 127.16 2hna n PRO 45 Ca 0.06 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 2hna n PRO 45 Cb 0.54 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 2hna n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hna n ALA 46 N -3.83 1.96 -3.56 0.55 0.00 -1.26 -4.59 120.51 109.78 2hna n ALA 46 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2hna n ALA 46 Cb 0.24 -1.00 -0.11 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 0.64 -0.45 0.00 0.00 0.01 -1.26 -3.86 113.70 108.78 2hna s SER 47 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2hna s SER 47 Cb 0.00 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2hna s SER 47 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2hna n GLY 48 N 3.80 0.29 3.24 3.44 0.00 -1.09 -4.91 105.19 109.96 2hna n GLY 48 Ca -0.20 -1.63 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.98 1.66 0.13 -0.61 -1.09 -1.13 -3.51 121.20 114.68 2hna s ILE 49 Ca 0.00 -1.07 0.10 0.00 -2.23 0.00 0.00 60.65 57.46 2hna s ILE 49 Cb 0.00 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 2hna s ILE 49 CO 0.00 0.32 -0.25 0.26 -1.23 0.00 0.00 174.94 174.04 2hna s TRP 50 N -0.66 2.17 -0.01 3.97 0.52 -0.42 -2.98 118.94 121.53 2hna s TRP 50 Ca 0.08 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.79 2hna s TRP 50 Cb -0.08 -1.17 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 2hna s TRP 50 CO 0.01 0.32 0.03 -0.51 0.02 0.00 0.00 176.95 176.82 2hna s LEU 51 N -2.08 1.88 -0.08 2.99 1.43 -0.54 -2.37 118.68 119.91 2hna s LEU 51 Ca 0.13 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2hna s LEU 51 Cb -0.10 0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.29 2hna s LEU 51 CO 0.06 -0.05 -0.03 0.54 0.23 0.00 0.00 176.35 177.10 2hna s VAL 52 N -0.16 0.58 -0.40 -1.59 0.11 -0.48 -0.83 120.40 117.64 2hna s VAL 52 Ca -0.02 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2hna s VAL 52 Cb -0.01 -0.68 0.09 0.00 -1.53 0.00 0.00 36.38 34.25 2hna s VAL 52 CO -0.00 0.29 0.20 -0.63 -3.33 0.00 0.00 175.10 171.63 2hna s ILE 53 N 1.77 3.63 0.00 7.04 1.09 -0.01 -0.70 121.20 134.02 2hna s ILE 53 Ca 0.03 -1.72 0.00 0.00 -1.10 0.00 0.00 60.65 57.86 2hna s ILE 53 Cb -0.13 -3.33 0.00 0.00 -1.06 0.00 0.00 42.46 37.95 2hna s ILE 53 CO -0.05 -0.55 0.00 -1.20 -0.10 0.00 0.00 174.94 173.04 2hna n SER 54 N 4.73 0.00 -3.74 3.58 7.64 -0.55 -3.83 113.62 121.45 2hna n SER 54 Ca -0.07 -0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.58 2hna n SER 54 Cb 0.42 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.54 2hna n SER 54 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hna s SER 55 N 1.07 -0.22 0.00 6.43 0.01 -1.26 -2.24 113.70 117.50 2hna s SER 55 Ca 0.00 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2hna s SER 55 Cb 0.00 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2hna s SER 55 CO 0.00 -0.48 0.00 0.35 0.41 0.00 0.00 173.24 173.52 2hna n THR 56 N 1.16 0.00 -1.56 1.44 -2.24 -1.26 -4.84 114.28 106.97 2hna n THR 56 Ca -0.21 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 2hna n THR 56 Cb 0.56 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 2hna n THR 56 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2hna n HIS 57 N -1.41 -0.59 0.00 4.78 -0.00 -1.25 -0.96 115.22 115.80 2hna n HIS 57 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2hna n HIS 57 Cb 0.00 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.33 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hna n GLY 58 N -0.34 0.76 2.04 1.57 0.00 -0.91 -0.60 105.19 107.71 2hna n GLY 58 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.20 0.00 4.61 0.00 -0.26 -1.14 120.51 123.92 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 -1.30 0.37 0.22 0.00 0.00 -0.13 -4.52 105.19 99.82 2hna n GLY 60 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.50 2hna n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2hna h ASP 61 N 0.00 0.00 -5.18 1.61 3.58 -1.92 -3.44 116.42 111.07 2hna h ASP 61 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 2hna h ASP 61 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.90 2hna h ASP 61 CO 0.00 0.24 -0.68 0.27 -2.88 0.00 0.00 179.24 176.19 2hna s ILE 62 N -4.33 0.26 0.58 2.25 -4.36 -1.26 -5.05 121.20 109.29 2hna s ILE 62 Ca -0.03 -1.84 0.28 0.00 -0.26 0.00 0.00 60.65 58.80 2hna s ILE 62 Cb 0.14 -1.61 0.37 0.00 1.25 0.00 0.00 42.46 42.61 2hna s ILE 62 CO 0.68 -0.91 2.04 -0.65 0.24 0.00 0.00 174.94 176.34 2hna h PRO 63 N 3.09 0.00 -1.20 0.37 0.11 -1.84 -2.80 132.00 129.73 2hna h PRO 63 Ca -0.34 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.11 2hna h PRO 63 Cb 1.15 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.93 2hna h PRO 63 CO 0.65 0.00 0.31 -3.47 -0.21 0.00 0.00 178.00 175.28 2hna n ASP 64 N -3.91 6.65 0.33 -2.05 2.03 -1.26 -4.85 116.55 113.49 2hna n ASP 64 Ca 0.04 -3.78 0.19 0.00 0.52 0.00 0.00 54.79 51.76 2hna n ASP 64 Cb 0.43 -0.78 1.01 0.00 -0.72 0.00 0.00 41.12 41.05 2hna n ASP 64 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2hna h ASN 65 N 2.31 0.00 -2.50 1.67 -1.24 -1.73 -2.82 115.58 111.28 2hna h ASN 65 Ca 0.51 0.00 -0.60 0.00 0.71 0.00 0.00 56.30 56.92 2hna h ASN 65 Cb 0.85 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.50 2hna h ASN 65 CO 1.27 0.00 -0.85 0.00 -1.29 0.00 0.00 177.43 176.56 2hna n LEU 66 N -2.95 0.95 0.18 0.34 -0.00 -1.26 -4.60 117.00 109.66 2hna n LEU 66 Ca -0.02 -4.74 -0.13 0.00 -0.00 0.00 0.00 56.01 51.11 2hna n LEU 66 Cb 0.22 0.09 -0.08 0.00 -0.00 0.00 0.00 43.42 43.65 2hna n LEU 66 CO 0.16 1.88 0.53 0.28 -0.00 0.00 0.00 177.39 180.24 2hna h SER 67 N 5.21 -0.40 -0.21 1.45 0.02 -1.56 -0.72 113.55 117.35 2hna h SER 67 Ca 0.20 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2hna h SER 67 Cb 0.84 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2hna h SER 67 CO 0.52 -0.04 -0.03 1.55 -1.14 0.00 0.00 176.83 177.69 2hna h PRO 68 N -0.80 0.52 0.84 3.45 0.13 -1.91 -1.66 132.00 132.58 2hna h PRO 68 Ca -0.05 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 2hna h PRO 68 Cb 0.52 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2hna h PRO 68 CO 0.08 0.57 -0.47 0.35 -0.23 0.00 0.00 178.00 178.31 2hna h PHE 69 N 0.50 -1.24 -0.34 1.56 3.04 -1.63 -1.50 116.94 117.34 2hna h PHE 69 Ca 0.10 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.04 2hna h PHE 69 Cb 0.37 0.43 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 2hna h PHE 69 CO 0.01 -0.72 0.21 -0.92 -2.02 0.00 0.00 178.31 174.87 2hna h TYR 70 N -1.21 0.39 -0.34 0.41 3.20 -0.82 -0.25 116.97 118.36 2hna h TYR 70 Ca -0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 2hna h TYR 70 Cb 0.95 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2hna h TYR 70 CO -0.07 0.24 0.17 0.93 -1.64 0.00 0.00 178.16 177.79 2hna h GLU 71 N 0.43 0.48 0.00 1.82 5.08 -1.35 -2.45 114.58 118.59 2hna h GLU 71 Ca 0.13 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2hna h GLU 71 Cb -0.02 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2hna h GLU 71 CO -0.05 0.43 -0.13 0.00 -1.00 0.00 0.00 179.01 178.26 2hna h ALA 72 N 1.03 1.14 0.50 3.43 0.00 -0.79 0.04 119.26 124.61 2hna h ALA 72 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2hna h ALA 72 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hna h ALA 72 CO -0.02 0.16 -0.24 -0.07 0.00 0.00 0.00 179.25 179.08 2hna h LEU 73 N 0.00 -0.57 -2.00 0.00 3.38 -0.77 -3.34 115.31 112.01 2hna h LEU 73 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hna h LEU 73 Cb 0.46 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2hna h LEU 73 CO 0.02 -0.28 -0.00 1.56 0.09 0.00 0.00 178.44 179.83 2hna h GLN 74 N -0.95 0.00 -0.37 1.13 4.20 -1.01 0.25 115.11 118.36 2hna h GLN 74 Ca -0.07 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 2hna h GLN 74 Cb 0.52 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2hna h GLN 74 CO 0.11 0.00 0.07 1.49 -0.67 0.00 0.00 178.83 179.84 2hna h GLU 75 N 0.00 0.54 0.00 1.46 4.81 -1.12 -3.37 114.58 116.91 2hna h GLU 75 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2hna h GLU 75 Cb 0.33 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2hna h GLU 75 CO 0.00 0.52 -0.56 0.00 -0.73 0.00 0.00 179.01 178.24 2hna n GLN 76 N -4.33 2.47 -3.47 1.92 10.64 -0.83 -5.07 117.38 118.72 2hna n GLN 76 Ca 0.02 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.03 2hna n GLN 76 Cb 0.20 -0.78 0.00 0.00 -0.86 0.00 0.00 30.24 28.80 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 -1.06 -0.68 -0.74 2.61 5.02 0.82 -4.85 118.16 119.29 2hna n LYS 77 Ca 0.00 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 2hna n LYS 77 Cb 0.12 -0.73 0.18 0.00 -0.02 0.00 0.00 35.03 34.59 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 -4.66 0.54 -1.50 1.97 0.04 -1.26 -4.86 135.00 125.28 2hna s PRO 78 Ca 0.11 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2hna s PRO 78 Cb -0.06 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.80 2hna s PRO 78 CO 0.40 -2.85 2.44 -3.47 0.04 0.00 0.00 177.00 173.55 2hna n ASP 79 N -4.36 5.52 -0.37 6.66 2.03 -1.26 -4.38 116.55 120.39 2hna n ASP 79 Ca 0.08 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.61 2hna n ASP 79 Cb 0.53 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 5.11 0.40 0.00 -2.67 7.99 -1.24 -4.21 117.00 122.38 2hna n LEU 80 Ca 0.60 -0.20 0.05 0.00 -0.01 0.00 0.00 56.01 56.44 2hna n LEU 80 Cb 0.34 -0.20 0.24 0.00 -0.11 0.00 0.00 43.42 43.69 2hna n LEU 80 CO 0.88 0.10 0.56 -1.54 -1.51 0.00 0.00 177.39 175.88 2hna n SER 81 N 0.04 0.00 -0.16 -1.43 3.41 -1.26 -1.46 113.62 112.75 2hna n SER 81 Ca 0.00 0.04 0.02 0.00 -0.26 0.00 0.00 58.87 58.68 2hna n SER 81 Cb 0.10 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 63.89 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hna n ALA 82 N -1.21 2.09 -2.37 7.33 0.00 -1.25 -5.02 120.51 120.07 2hna n ALA 82 Ca 0.05 -1.21 -0.12 0.00 0.00 0.00 0.00 53.44 52.16 2hna n ALA 82 Cb 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.21 0.75 0.11 0.00 0.11 -0.54 -2.68 120.40 116.94 2hna s VAL 83 Ca 0.09 -1.72 0.11 0.00 -2.93 0.00 0.00 61.98 57.52 2hna s VAL 83 Cb 0.06 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 2hna s VAL 83 CO 0.04 -0.71 -0.27 0.00 -3.33 0.00 0.00 175.10 170.83 2hna s ARG 84 N -3.19 1.50 0.40 1.54 1.70 -1.23 -3.29 118.95 116.38 2hna s ARG 84 Ca 0.07 -1.29 0.07 0.00 -0.47 0.00 0.00 55.73 54.11 2hna s ARG 84 Cb 0.01 -1.92 -0.06 0.00 -0.57 0.00 0.00 34.95 32.41 2hna s ARG 84 CO -0.02 0.47 0.12 -0.59 -1.08 0.00 0.00 175.30 174.19 2hna s PHE 85 N -1.00 2.58 -0.07 5.89 -0.71 -0.01 -1.30 117.98 123.38 2hna s PHE 85 Ca 0.13 -0.58 -0.03 0.00 -1.04 0.00 0.00 56.93 55.41 2hna s PHE 85 Cb -0.10 -1.86 0.04 0.00 -1.21 0.00 0.00 43.02 39.89 2hna s PHE 85 CO 0.05 0.28 0.12 0.20 -1.34 0.00 0.00 175.22 174.53 2hna s GLY 86 N -3.84 0.11 0.26 1.99 0.00 -1.00 -1.01 107.32 103.84 2hna s GLY 86 Ca 0.39 0.41 -0.30 0.00 0.00 0.00 0.00 44.72 45.23 2hna s GLY 86 CO 0.21 1.55 1.04 0.00 0.00 0.00 0.00 173.10 175.91 2hna s ALA 87 N 2.22 3.38 -0.02 3.20 0.00 -1.26 -1.38 121.76 127.90 2hna s ALA 87 Ca 0.04 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2hna s ALA 87 Cb -0.12 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2hna s ALA 87 CO -0.05 -0.03 0.01 0.42 0.00 0.00 0.00 175.76 176.11 2hna s ILE 88 N -1.15 0.09 0.00 0.00 1.01 0.13 -0.64 121.20 120.64 2hna s ILE 88 Ca 0.43 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2hna s ILE 88 Cb -0.30 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 41.98 2hna s ILE 88 CO 0.38 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2hna n GLY 89 N 4.05 1.94 3.48 6.18 0.00 0.37 -1.48 105.19 119.73 2hna n GLY 89 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.57 1.43 -2.01 -0.61 5.41 -0.95 -4.37 119.36 117.69 2hna n ILE 90 Ca 0.00 -0.33 -0.00 0.00 1.00 0.00 0.00 62.75 63.42 2hna n ILE 90 Cb 0.00 -0.78 -0.00 0.00 -0.71 0.00 0.00 39.64 38.15 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 1.47 0.80 0.08 7.39 0.00 -1.26 -4.79 105.19 108.89 2hna n GLY 91 Ca 0.10 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2hna n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hna n SER 92 N 0.01 0.53 -4.71 1.61 3.41 -1.26 -2.15 113.62 111.06 2hna n SER 92 Ca -0.01 0.58 -0.39 0.00 -0.26 0.00 0.00 58.87 58.78 2hna n SER 92 Cb 0.60 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 63.87 2hna n SER 92 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2hna n ARG 93 N -2.03 1.64 0.14 4.33 3.00 -1.26 -4.56 116.66 117.93 2hna n ARG 93 Ca 0.05 0.60 0.19 0.00 -0.00 0.00 0.00 57.85 58.69 2hna n ARG 93 Cb 0.34 -2.46 0.78 0.00 0.00 0.00 0.00 32.46 31.12 2hna n ARG 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2hna h GLU 94 N 1.48 0.00 0.00 -0.14 4.39 -1.98 -1.28 114.58 117.05 2hna h GLU 94 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2hna h GLU 94 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2hna h GLU 94 CO 0.57 0.00 0.00 -0.92 -1.16 0.00 0.00 179.01 177.50 2hna h TYR 95 N 0.00 0.00 0.00 4.33 3.20 -1.90 -3.33 116.97 119.26 2hna h TYR 95 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2hna h TYR 95 Cb 0.85 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2hna h TYR 95 CO 0.00 0.00 -0.28 -3.47 -1.64 0.00 0.00 178.16 172.77 2hna n ASP 96 N -2.71 0.95 -4.55 -2.11 2.03 -0.49 -5.01 116.55 104.65 2hna n ASP 96 Ca 0.02 -2.39 -0.33 0.00 0.52 0.00 0.00 54.79 52.60 2hna n ASP 96 Cb 0.32 -0.28 -0.04 0.00 -0.72 0.00 0.00 41.12 40.40 2hna n ASP 96 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2hna s THR 97 N -1.13 3.41 0.00 5.18 -4.23 -1.23 -4.05 115.64 113.59 2hna s THR 97 Ca 0.12 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2hna s THR 97 Cb 0.11 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2hna s THR 97 CO 0.01 -0.96 0.00 0.49 -0.54 0.00 0.00 174.62 173.62 2hna n PHE 98 N 13.20 0.00 -1.14 3.99 3.72 -0.31 -4.77 117.46 132.15 2hna n PHE 98 Ca 0.29 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.79 2hna n PHE 98 Cb 0.50 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.18 2hna n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hna n GLY 100 N -1.37 -2.49 2.79 0.00 0.00 -1.26 -3.80 105.19 99.06 2hna n GLY 100 Ca 0.16 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 2.68 -2.38 4.61 0.00 -0.80 -4.44 120.51 120.18 2hna n ALA 101 Ca 0.00 -2.29 -0.19 0.00 0.00 0.00 0.00 53.44 50.96 2hna n ALA 101 Cb 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 2hna n ALA 101 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2hna s ILE 102 N -2.72 1.66 0.00 0.00 -4.36 -0.29 -5.07 121.20 110.43 2hna s ILE 102 Ca 0.22 -2.07 0.08 0.00 -0.26 0.00 0.00 60.65 58.62 2hna s ILE 102 Cb 0.36 -1.92 0.13 0.00 1.25 0.00 0.00 42.46 42.28 2hna s ILE 102 CO -0.06 -0.52 0.95 -0.90 0.24 0.00 0.00 174.94 174.65 2hna n ASP 103 N -0.10 0.08 -0.22 4.36 5.75 -1.26 -4.44 116.55 120.71 2hna n ASP 103 Ca -0.10 -1.80 0.19 0.00 -0.01 0.00 0.00 54.79 53.07 2hna n ASP 103 Cb 0.59 -0.08 0.52 0.00 -1.03 0.00 0.00 41.12 41.13 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 0.30 0.37 0.72 0.11 1.57 -1.96 -0.14 116.57 117.54 2hna h LYS 104 Ca -0.20 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 2hna h LYS 104 Cb 1.47 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.70 2hna h LYS 104 CO -0.03 0.24 -0.34 1.25 -0.57 0.00 0.00 179.45 180.00 2hna h LEU 105 N 0.38 -0.81 -1.01 2.94 7.12 -1.95 -0.18 115.31 121.80 2hna h LEU 105 Ca 0.45 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.43 2hna h LEU 105 Cb 1.14 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.44 2hna h LEU 105 CO -0.15 -0.54 0.31 -0.33 -0.13 0.00 0.00 178.44 177.59 2hna h GLU 106 N -1.03 1.01 -0.18 1.25 5.08 -1.80 -2.76 114.58 116.16 2hna h GLU 106 Ca -0.10 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2hna h GLU 106 Cb 0.75 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2hna h GLU 106 CO 0.16 0.81 0.11 0.00 -1.00 0.00 0.00 179.01 179.08 2hna h ALA 107 N 1.33 0.23 -0.44 3.43 0.00 -0.88 -1.58 119.26 121.34 2hna h ALA 107 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2hna h ALA 107 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2hna h ALA 107 CO -0.03 -0.26 0.06 0.93 0.00 0.00 0.00 179.25 179.96 2hna h GLU 108 N 0.21 0.67 -0.20 0.00 4.39 -0.84 0.22 114.58 119.03 2hna h GLU 108 Ca 0.06 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2hna h GLU 108 Cb 0.03 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2hna h GLU 108 CO -0.01 0.65 0.12 -0.07 -1.16 0.00 0.00 179.01 178.53 2hna h LEU 109 N 0.65 0.24 -0.84 1.33 3.38 -1.19 0.13 115.31 119.00 2hna h LEU 109 Ca 0.14 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2hna h LEU 109 Cb 0.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2hna h LEU 109 CO 0.00 0.21 -0.09 0.11 0.09 0.00 0.00 178.44 178.77 2hna h LYS 110 N 0.24 0.76 -0.32 1.13 1.57 -0.77 -1.33 116.57 117.85 2hna h LYS 110 Ca 0.07 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 2hna h LYS 110 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2hna h LYS 110 CO -0.01 0.83 -0.30 -0.97 -0.57 0.00 0.00 179.45 178.43 2hna h ASN 111 N 0.70 0.70 -0.31 0.86 -1.24 -0.84 -3.14 115.58 112.31 2hna h ASN 111 Ca 0.12 -0.28 -0.14 0.00 0.71 0.00 0.00 56.30 56.72 2hna h ASN 111 Cb 0.56 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2hna h ASN 111 CO 0.03 0.96 -0.32 0.28 -1.29 0.00 0.00 177.43 177.09 2hna h SER 112 N 0.58 0.87 0.00 1.15 0.02 -0.09 -3.47 113.55 112.61 2hna h SER 112 Ca 0.07 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2hna h SER 112 Cb 0.81 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2hna h SER 112 CO 0.07 1.12 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 2hna n GLY 113 N -0.03 0.45 3.74 -3.77 0.00 -0.56 -3.73 105.19 101.29 2hna n GLY 113 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2hna n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna s ALA 114 N 0.00 3.49 0.19 4.61 0.00 -1.02 -4.20 121.76 124.83 2hna s ALA 114 Ca 0.00 1.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 2hna s ALA 114 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 2hna s ALA 114 CO 0.00 -0.47 0.77 -1.59 0.00 0.00 0.00 175.76 174.48 2hna s LYS 115 N -0.43 4.48 -0.39 0.00 -2.85 -1.21 -3.91 119.74 115.43 2hna s LYS 115 Ca 0.54 1.09 -0.27 0.00 -1.00 0.00 0.00 55.97 56.32 2hna s LYS 115 Cb -0.35 -3.12 0.02 0.00 -2.06 0.00 0.00 37.83 32.32 2hna s LYS 115 CO 0.39 0.50 1.02 -1.14 0.10 0.00 0.00 175.35 176.22 2hna s GLN 116 N -1.45 3.84 0.43 1.78 0.74 -1.26 -0.83 119.66 122.91 2hna s GLN 116 Ca 0.39 0.66 -0.23 0.00 0.05 0.00 0.00 55.36 56.23 2hna s GLN 116 Cb -0.21 -3.82 -0.08 0.00 1.10 0.00 0.00 33.01 30.00 2hna s GLN 116 CO 0.24 -1.07 1.11 0.99 -0.55 0.00 0.00 175.29 176.01 2hna s THR 117 N 3.80 3.39 0.00 -0.34 2.01 -0.18 -4.83 115.64 119.49 2hna s THR 117 Ca 0.42 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.48 2hna s THR 117 Cb -0.11 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2hna s THR 117 CO 0.22 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2hna n GLY 118 N 0.38 3.99 3.24 4.40 0.00 -1.26 -4.64 105.19 111.30 2hna n GLY 118 Ca 0.06 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 0.91 -0.08 1.61 -1.05 -1.26 -5.13 118.70 113.70 2hna s GLU 119 Ca 0.00 -0.84 -0.38 0.00 -0.15 0.00 0.00 54.97 53.60 2hna s GLU 119 Cb 0.00 0.38 -0.16 0.00 -0.44 0.00 0.00 34.13 33.91 2hna s GLU 119 CO 0.00 -0.31 1.56 2.41 0.95 0.00 0.00 175.26 179.87 2hna n THR 120 N -0.05 0.17 -2.67 1.83 -1.04 -1.26 -4.90 114.28 106.36 2hna n THR 120 Ca -0.16 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.47 2hna n THR 120 Cb 0.63 -1.09 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 2hna n THR 120 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2hna s LEU 121 N 2.05 4.05 0.00 -4.42 0.20 0.18 -4.94 118.68 115.82 2hna s LEU 121 Ca 0.91 1.87 0.06 0.00 0.69 0.00 0.00 54.13 57.66 2hna s LEU 121 Cb -0.98 -4.34 -0.03 0.00 -0.43 0.00 0.00 46.19 40.41 2hna s LEU 121 CO 0.55 -0.44 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.45 2hna s LYS 122 N -2.78 2.21 0.14 1.98 1.02 -1.26 -0.48 119.74 120.57 2hna s LYS 122 Ca 0.60 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.73 2hna s LYS 122 Cb -0.16 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2hna s LYS 122 CO 0.21 0.57 -0.06 0.96 -0.92 0.00 0.00 175.35 176.10 2hna s ILE 123 N -0.82 0.90 0.61 2.17 -5.25 -1.18 -4.11 121.20 113.52 2hna s ILE 123 Ca 0.13 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.79 2hna s ILE 123 Cb -0.10 -1.89 0.00 0.00 2.95 0.00 0.00 42.46 43.42 2hna s ILE 123 CO 0.03 -0.70 0.00 -0.46 -1.79 0.00 0.00 174.94 172.02 2hna n ASN 124 N -0.17 -7.83 -0.31 4.36 0.23 -1.03 -3.08 115.26 107.42 2hna n ASN 124 Ca -0.10 1.55 0.00 0.00 -0.53 0.00 0.00 54.58 55.50 2hna n ASN 124 Cb 0.61 -4.99 0.00 0.00 -2.08 0.00 0.00 39.78 33.33 2hna n ASN 124 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2hna n ILE 125 N -3.87 0.00 -0.06 1.53 -6.64 -1.26 -1.61 119.36 107.44 2hna n ILE 125 Ca -0.07 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.90 2hna n ILE 125 Cb 0.62 0.61 0.25 0.00 -1.44 0.00 0.00 39.64 39.67 2hna n ILE 125 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 2hna h LEU 126 N 0.00 0.63 -8.27 7.28 5.85 -2.00 -3.45 115.31 115.35 2hna h LEU 126 Ca 0.00 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 2hna h LEU 126 Cb 1.22 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2hna h LEU 126 CO 0.00 0.66 0.01 -0.62 -0.34 0.00 0.00 178.44 178.15 2hna s ASP 127 N -6.66 0.39 0.38 1.25 2.15 -1.26 -5.15 116.67 107.77 2hna s ASP 127 Ca -0.09 -1.24 -0.27 0.00 0.43 0.00 0.00 52.55 51.38 2hna s ASP 127 Cb 0.15 0.73 -0.11 0.00 -0.30 0.00 0.00 42.92 43.39 2hna s ASP 127 CO 0.78 -1.42 1.37 1.41 -0.17 0.00 0.00 175.17 177.14 2hna n HIS 128 N -0.52 2.57 -2.93 -5.34 8.25 -1.26 -4.89 115.22 111.09 2hna n HIS 128 Ca -0.03 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2hna n HIS 128 Cb 0.61 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.26 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 0.47 0.00 0.09 0.41 8.00 -1.26 -5.03 116.55 119.23 2hna n ASP 129 Ca 0.04 -0.63 -0.07 0.00 0.71 0.00 0.00 54.79 54.83 2hna n ASP 129 Cb 0.38 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.63 0.29 0.04 0.53 2.04 -1.95 -3.40 117.51 115.69 2hna h ILE 130 Ca 0.00 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 2hna h ILE 130 Cb 0.00 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2hna h ILE 130 CO 0.00 0.08 -0.02 1.55 0.00 0.00 0.00 178.15 179.76 2hna h PRO 131 N -1.03 -0.05 -7.01 2.37 0.13 -1.83 -3.48 132.00 121.09 2hna h PRO 131 Ca -0.03 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.56 2hna h PRO 131 Cb 0.38 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.48 2hna h PRO 131 CO 0.05 0.57 -0.89 -0.85 -0.23 0.00 0.00 178.00 176.65 2hna n GLU 132 N -4.79 -0.39 -3.76 0.86 0.28 -1.18 -4.73 120.64 106.93 2hna n GLU 132 Ca -0.09 -0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.78 2hna n GLU 132 Cb 0.32 -2.19 -0.11 0.00 1.43 0.00 0.00 31.44 30.89 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 -3.79 -0.33 0.16 -1.84 2.15 -0.63 -4.90 116.67 107.49 2hna s ASP 133 Ca 0.37 0.63 -0.31 0.00 0.43 0.00 0.00 52.55 53.67 2hna s ASP 133 Cb -0.21 0.63 -0.08 0.00 -0.30 0.00 0.00 42.92 42.96 2hna s ASP 133 CO 0.86 -0.11 1.35 -2.16 -0.17 0.00 0.00 175.17 174.94 2hna s PRO 134 N 0.23 4.35 0.45 4.34 0.04 -1.26 -2.47 135.00 140.67 2hna s PRO 134 Ca -0.01 2.07 0.22 0.00 0.04 0.00 0.00 61.00 63.33 2hna s PRO 134 Cb -0.03 -3.22 1.07 0.00 0.04 0.00 0.00 34.50 32.37 2hna s PRO 134 CO -0.00 -0.34 1.92 0.00 0.04 0.00 0.00 177.00 178.61 2hna h ALA 135 N 6.03 1.20 -0.61 8.56 0.00 -1.92 -3.32 119.26 129.21 2hna h ALA 135 Ca -0.44 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.34 2hna h ALA 135 Cb 1.21 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2hna h ALA 135 CO 0.81 0.29 0.40 1.05 0.00 0.00 0.00 179.25 181.81 2hna h GLU 136 N 0.00 0.49 -0.25 0.00 4.11 -1.91 -0.29 114.58 116.72 2hna h GLU 136 Ca -0.00 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.23 2hna h GLU 136 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2hna h GLU 136 CO 0.03 0.32 -0.51 0.93 0.07 0.00 0.00 179.01 179.86 2hna h GLU 137 N 0.50 0.79 -0.23 1.06 5.08 -1.98 -0.12 114.58 119.69 2hna h GLU 137 Ca 0.27 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2hna h GLU 137 Cb 0.41 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2hna h GLU 137 CO -0.08 1.14 0.07 -1.49 -1.00 0.00 0.00 179.01 177.65 2hna h TRP 138 N 0.54 0.37 -0.38 4.33 6.55 -1.62 -1.43 115.95 124.30 2hna h TRP 138 Ca 0.01 -0.04 0.04 0.00 0.95 0.00 0.00 58.89 59.85 2hna h TRP 138 Cb 1.12 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 29.27 2hna h TRP 138 CO 0.08 0.44 0.16 1.25 -1.05 0.00 0.00 178.44 179.31 2hna h LEU 139 N 0.20 0.20 -0.08 -4.49 5.85 -0.94 0.18 115.31 116.23 2hna h LEU 139 Ca 0.07 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2hna h LEU 139 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2hna h LEU 139 CO -0.00 0.15 0.04 1.23 -0.34 0.00 0.00 178.44 179.52 2hna h GLY 140 N 0.33 0.11 0.97 3.75 0.00 -0.98 0.07 103.07 107.32 2hna h GLY 140 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2hna h GLY 140 CO -0.16 0.03 0.21 0.23 0.00 0.00 0.00 176.54 176.86 2hna h SER 141 N 0.09 0.67 -0.63 0.19 0.87 -0.74 0.28 113.55 114.28 2hna h SER 141 Ca 0.03 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 2hna h SER 141 Cb 0.00 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2hna h SER 141 CO -0.02 0.64 0.21 -0.25 -0.53 0.00 0.00 176.83 176.88 2hna h TRP 142 N 0.66 1.02 -0.27 2.24 7.01 -0.51 0.59 115.95 126.69 2hna h TRP 142 Ca 0.17 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 2hna h TRP 142 Cb 0.17 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 2hna h TRP 142 CO 0.00 0.81 0.11 0.28 -2.79 0.00 0.00 178.44 176.85 2hna h VAL 143 N 0.97 1.18 0.00 2.65 2.07 -0.66 -1.40 116.25 121.05 2hna h VAL 143 Ca 0.22 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2hna h VAL 143 Cb 0.27 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2hna h VAL 143 CO -0.01 0.18 -0.08 0.78 0.02 0.00 0.00 177.57 178.47 2hna h ASN 144 N 0.28 0.00 -0.04 0.57 2.35 -0.08 -0.12 115.58 118.54 2hna h ASN 144 Ca 0.09 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 2hna h ASN 144 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2hna h ASN 144 CO -0.01 0.08 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.55 2hna h LEU 145 N 0.00 0.27 -0.66 1.61 4.07 -0.63 -3.32 115.31 116.65 2hna h LEU 145 Ca -0.00 -0.68 -0.14 0.00 0.08 0.00 0.00 57.88 57.14 2hna h LEU 145 Cb 0.15 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2hna h LEU 145 CO 0.01 0.90 -0.57 0.17 -1.08 0.00 0.00 178.44 177.87 2hna h LEU 146 N -0.34 0.33 0.00 1.67 8.10 -0.84 -3.51 115.31 120.72 2hna h LEU 146 Ca -0.02 -0.18 0.00 0.00 0.11 0.00 0.00 57.88 57.79 2hna h LEU 146 Cb 0.90 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 2hna h LEU 146 CO 0.05 0.83 0.00 0.29 -4.11 0.00 0.00 178.44 175.50