#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 -0.38 -0.07 -5.12 0.00 -1.26 -4.55 121.76 110.38 2hna s ALA 2 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 51.96 51.74 2hna s ALA 2 Cb 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 23.12 23.30 2hna s ALA 2 CO 0.00 -0.44 0.20 -3.47 0.00 0.00 0.00 175.76 172.06 2hna n ASP 3 N 0.35 1.71 -3.92 0.00 2.03 0.64 -4.90 116.55 112.46 2hna n ASP 3 Ca -0.17 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.88 2hna n ASP 3 Cb 0.60 1.32 -0.17 0.00 -0.72 0.00 0.00 41.12 42.15 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 -2.72 0.98 -0.04 5.18 1.01 -1.04 -2.69 121.20 121.89 2hna s ILE 4 Ca -0.06 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 2hna s ILE 4 Cb 0.07 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 2hna s ILE 4 CO 0.58 0.35 0.62 0.28 0.00 0.00 0.00 174.94 176.77 2hna s THR 5 N 1.44 4.98 -0.61 2.92 -1.32 -1.20 -1.59 115.64 120.27 2hna s THR 5 Ca -0.00 1.28 -0.15 0.00 -1.21 0.00 0.00 61.69 61.61 2hna s THR 5 Cb -0.13 -3.96 0.15 0.00 -1.51 0.00 0.00 72.50 67.05 2hna s THR 5 CO -0.05 0.35 0.55 -0.76 -2.21 0.00 0.00 174.62 172.51 2hna s LEU 6 N 0.23 6.28 -1.38 9.08 2.01 -0.75 -1.56 118.68 132.59 2hna s LEU 6 Ca 0.33 -2.06 -0.12 0.00 0.01 0.00 0.00 54.13 52.29 2hna s LEU 6 Cb -0.18 -2.19 0.09 0.00 0.01 0.00 0.00 46.19 43.93 2hna s LEU 6 CO 0.17 -0.76 2.06 -0.38 1.01 0.00 0.00 176.35 178.45 2hna n ILE 7 N 4.85 3.84 -1.79 -0.59 2.08 0.38 -3.10 119.36 125.02 2hna n ILE 7 Ca -0.06 -3.63 -0.30 0.00 0.56 0.00 0.00 62.75 59.32 2hna n ILE 7 Cb 0.42 -2.50 0.07 0.00 -0.75 0.00 0.00 39.64 36.88 2hna n ILE 7 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2hna s SER 8 N 2.30 5.00 0.00 4.38 0.01 -1.17 -1.53 113.70 122.68 2hna s SER 8 Ca 0.44 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2hna s SER 8 Cb 0.12 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2hna s SER 8 CO -0.05 -1.62 0.00 0.61 0.41 0.00 0.00 173.24 172.59 2hna n GLY 9 N -2.80 -2.32 2.02 3.44 0.00 0.23 -3.27 105.19 102.50 2hna n GLY 9 Ca 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.11 -0.47 -1.80 1.61 3.41 -0.41 -4.15 113.62 111.91 2hna n SER 10 Ca 0.00 0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.73 2hna n SER 10 Cb 0.00 0.58 0.03 0.00 -0.26 0.00 0.00 64.21 64.56 2hna n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2hna n THR 11 N -2.90 2.59 -1.92 6.66 -2.24 -1.07 -3.64 114.28 111.76 2hna n THR 11 Ca 0.00 -1.37 -0.18 0.00 -2.27 0.00 0.00 64.05 60.23 2hna n THR 11 Cb 0.00 -1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 66.80 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2hna n LEU 12 N 0.65 -1.56 -3.61 3.22 7.94 -1.26 -4.94 117.00 117.44 2hna n LEU 12 Ca 0.23 0.22 -0.01 0.00 -1.11 0.00 0.00 56.01 55.34 2hna n LEU 12 Cb 0.56 -2.57 -0.01 0.00 0.53 0.00 0.00 43.42 41.92 2hna n LEU 12 CO 0.28 -0.58 1.10 -0.83 -1.11 0.00 0.00 177.39 176.26 2hna s GLY 13 N -2.51 -0.34 0.00 -3.96 0.00 -1.26 -4.92 107.32 94.34 2hna s GLY 13 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.04 2hna s GLY 13 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.10 2hna n GLY 14 N -0.25 1.84 3.74 0.20 0.00 -1.26 -1.29 105.19 108.16 2hna n GLY 14 Ca -0.03 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.50 0.00 0.02 4.61 0.00 -1.26 -2.28 120.51 122.10 2hna n ALA 15 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2hna n ALA 15 Cb 0.00 -0.71 0.50 0.00 0.00 0.00 0.00 19.45 19.24 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 0.00 0.36 -0.67 0.00 5.08 -1.93 -0.63 114.58 116.80 2hna h GLU 16 Ca 0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2hna h GLU 16 Cb 0.00 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2hna h GLU 16 CO 0.00 0.24 0.42 -0.92 -1.00 0.00 0.00 179.01 177.75 2hna h TYR 17 N 0.37 0.78 -0.03 4.33 3.20 -2.00 0.12 116.97 123.75 2hna h TYR 17 Ca 0.17 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.82 2hna h TYR 17 Cb 0.20 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.22 2hna h TYR 17 CO -0.00 0.45 -0.94 0.28 -1.64 0.00 0.00 178.16 176.31 2hna h VAL 18 N 0.82 1.33 -0.76 1.81 2.07 -1.65 -3.27 116.25 116.61 2hna h VAL 18 Ca 0.27 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 2hna h VAL 18 Cb 0.02 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 2hna h VAL 18 CO -0.11 0.69 0.45 0.00 0.02 0.00 0.00 177.57 178.62 2hna h ALA 19 N 0.61 1.36 -0.48 1.67 0.00 -0.52 -0.34 119.26 121.57 2hna h ALA 19 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2hna h ALA 19 Cb 1.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2hna h ALA 19 CO 0.18 0.54 0.30 0.93 0.00 0.00 0.00 179.25 181.20 2hna h GLU 20 N 1.04 0.64 -0.24 0.00 5.08 -1.06 0.52 114.58 120.57 2hna h GLU 20 Ca 0.27 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2hna h GLU 20 Cb -0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2hna h GLU 20 CO -0.05 0.45 0.05 1.25 -1.00 0.00 0.00 179.01 179.71 2hna h HIS 21 N 0.64 0.42 0.15 4.33 2.76 -1.43 -1.33 115.15 120.69 2hna h HIS 21 Ca 0.17 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2hna h HIS 21 Cb -0.03 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 2hna h HIS 21 CO -0.03 0.51 -0.24 -0.07 -1.30 0.00 0.00 177.93 176.79 2hna h LEU 22 N 0.21 -0.67 -0.73 0.26 3.38 -0.92 -1.40 115.31 115.44 2hna h LEU 22 Ca 0.07 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2hna h LEU 22 Cb 0.31 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2hna h LEU 22 CO 0.00 -0.33 0.39 0.00 0.09 0.00 0.00 178.44 178.59 2hna h ALA 23 N 0.27 1.01 0.39 1.53 0.00 -0.84 -0.05 119.26 121.58 2hna h ALA 23 Ca 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2hna h ALA 23 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2hna h ALA 23 CO -0.11 0.01 -0.19 1.49 0.00 0.00 0.00 179.25 180.45 2hna h GLU 24 N 0.67 -0.51 -0.71 0.00 4.81 -0.87 -1.12 114.58 116.86 2hna h GLU 24 Ca 0.35 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 2hna h GLU 24 Cb 0.33 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2hna h GLU 24 CO -0.25 -0.30 0.47 0.87 -0.73 0.00 0.00 179.01 179.07 2hna h LYS 25 N -0.59 0.74 0.00 1.92 1.79 -0.97 -0.98 116.57 118.48 2hna h LYS 25 Ca -0.05 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.29 2hna h LYS 25 Cb 0.44 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2hna h LYS 25 CO 0.09 0.49 -0.37 -0.07 -1.08 0.00 0.00 179.45 178.51 2hna h LEU 26 N 0.77 0.00 -0.31 2.94 3.38 -0.75 0.25 115.31 121.58 2hna h LEU 26 Ca 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 2hna h LEU 26 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2hna h LEU 26 CO -0.09 0.37 -0.40 -0.33 0.09 0.00 0.00 178.44 178.08 2hna h GLU 27 N 0.00 0.81 0.00 1.13 5.08 0.06 -2.86 114.58 118.80 2hna h GLU 27 Ca -0.00 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2hna h GLU 27 Cb 0.88 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2hna h GLU 27 CO 0.05 1.09 -0.10 0.93 -1.00 0.00 0.00 179.01 179.98 2hna h GLU 28 N 0.58 0.00 0.00 2.33 4.39 -0.93 -0.76 114.58 120.19 2hna h GLU 28 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2hna h GLU 28 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2hna h GLU 28 CO 0.09 0.10 0.00 0.00 -1.16 0.00 0.00 179.01 178.04 2hna n ALA 29 N -2.35 1.63 0.00 3.43 0.00 0.04 -4.87 120.51 118.39 2hna n ALA 29 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2hna n ALA 29 Cb 0.19 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.06 1.64 0.00 0.00 0.00 -0.30 -5.08 105.19 101.40 2hna n GLY 30 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.51 0.00 -4.29 1.61 3.72 -1.17 -5.05 117.46 111.76 2hna n PHE 31 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 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 -0.95 1.66 0.06 4.37 -4.23 -1.26 -4.35 115.64 110.94 2hna s THR 32 Ca 0.00 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.73 2hna s THR 32 Cb 0.00 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 2hna s THR 32 CO 0.00 -0.25 0.08 0.42 -0.54 0.00 0.00 174.62 174.33 2hna s THR 33 N -1.75 0.18 -0.34 3.99 -4.23 -1.26 -0.26 115.64 111.97 2hna s THR 33 Ca 0.11 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 2hna s THR 33 Cb -0.07 -1.36 0.11 0.00 1.34 0.00 0.00 72.50 72.52 2hna s THR 33 CO 0.05 -0.80 0.12 -0.70 -0.54 0.00 0.00 174.62 172.75 2hna s GLU 34 N -3.72 0.97 -0.04 3.99 -6.30 -0.62 -4.80 118.70 108.18 2hna s GLU 34 Ca 0.05 -1.42 -0.30 0.00 -2.50 0.00 0.00 54.97 50.80 2hna s GLU 34 Cb 0.05 -2.28 -0.05 0.00 0.00 0.00 0.00 34.13 31.85 2hna s GLU 34 CO -0.10 -1.02 1.47 0.99 0.02 0.00 0.00 175.26 176.63 2hna s THR 35 N 1.21 3.73 0.30 -1.70 2.01 -1.26 -1.81 115.64 118.13 2hna s THR 35 Ca 0.12 1.01 -0.04 0.00 0.31 0.00 0.00 61.69 63.09 2hna s THR 35 Cb -0.19 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 2hna s THR 35 CO -0.17 -0.05 0.41 -0.76 -0.69 0.00 0.00 174.62 173.37 2hna s LEU 36 N 3.14 0.95 -0.29 4.42 1.43 -1.18 -4.98 118.68 122.18 2hna s LEU 36 Ca 0.66 -1.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2hna s LEU 36 Cb -0.31 1.31 0.46 0.00 0.03 0.00 0.00 46.19 47.68 2hna s LEU 36 CO 0.26 -1.19 1.19 0.00 0.23 0.00 0.00 176.35 176.84 2hna n HIS 37 N -0.49 2.73 -3.99 0.29 1.44 -1.26 -3.07 115.22 110.86 2hna n HIS 37 Ca 0.01 -2.22 -0.28 0.00 -2.01 0.00 0.00 57.72 53.22 2hna n HIS 37 Cb 0.62 -0.34 -0.01 0.00 0.12 0.00 0.00 29.99 30.38 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 -0.71 -0.31 0.29 -1.39 0.00 -1.20 -4.26 105.19 97.60 2hna n GLY 38 Ca 0.44 0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.78 2hna n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hna h PRO 39 N -1.79 0.00 0.00 1.61 0.13 -1.92 -1.85 132.00 128.18 2hna h PRO 39 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.66 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.76 2hna n LEU 40 N -3.33 1.44 0.00 1.56 4.77 -1.26 -5.01 117.00 115.16 2hna n LEU 40 Ca -0.02 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 2hna n LEU 40 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2hna n LEU 40 CO 0.26 0.36 0.00 -0.11 -1.33 0.00 0.00 177.39 176.57 2hna n LEU 41 N -0.34 0.00 -2.78 2.23 7.94 -0.70 -4.68 117.00 118.68 2hna n LEU 41 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2hna n LEU 41 Cb 0.28 -0.24 0.02 0.00 0.53 0.00 0.00 43.42 44.01 2hna n LEU 41 CO 0.00 0.00 0.13 -1.84 -1.11 0.00 0.00 177.39 174.57 2hna n GLU 42 N -1.39 0.62 -0.04 1.96 0.28 -1.26 -4.98 120.64 115.82 2hna n GLU 42 Ca 0.00 -1.97 -0.12 0.00 -0.16 0.00 0.00 57.16 54.91 2hna n GLU 42 Cb 0.00 -1.47 -0.06 0.00 1.43 0.00 0.00 31.44 31.33 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 4.65 0.23 -3.74 -1.84 3.58 -1.98 -3.42 116.42 113.89 2hna h ASP 43 Ca -0.01 -0.32 -0.49 0.00 0.42 0.00 0.00 57.03 56.63 2hna h ASP 43 Cb 1.07 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 2hna h ASP 43 CO 0.14 0.49 0.13 -0.76 -2.88 0.00 0.00 179.24 176.36 2hna s LEU 44 N -9.51 3.88 0.00 2.28 1.43 -1.26 -5.08 118.68 110.41 2hna s LEU 44 Ca -0.14 1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 54.02 2hna s LEU 44 Cb 0.05 -4.07 0.22 0.00 0.03 0.00 0.00 46.19 42.42 2hna s LEU 44 CO 0.71 -0.36 0.69 -0.81 0.23 0.00 0.00 176.35 176.81 2hna n PRO 45 N -1.06 -2.81 -0.11 1.29 -0.04 -1.26 -4.86 135.00 126.14 2hna n PRO 45 Ca 0.03 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 2hna n PRO 45 Cb 0.54 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -4.41 2.39 -3.63 0.55 0.00 -1.26 -4.61 120.51 109.54 2hna n ALA 46 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 2hna n ALA 46 Cb 0.39 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 2hna n ALA 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hna s SER 47 N 1.37 -0.87 0.00 0.00 1.04 -1.26 -3.98 113.70 110.00 2hna s SER 47 Ca 0.00 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2hna s SER 47 Cb 0.00 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.52 2hna s SER 47 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2hna n GLY 48 N 3.76 0.39 3.34 7.32 0.00 -1.11 -4.91 105.19 113.97 2hna n GLY 48 Ca -0.18 -1.68 -0.28 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 -2.14 2.05 0.08 -0.61 -1.09 -1.09 -3.22 121.20 115.18 2hna s ILE 49 Ca 0.00 -1.50 0.04 0.00 -2.23 0.00 0.00 60.65 56.95 2hna s ILE 49 Cb 0.00 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 39.05 2hna s ILE 49 CO 0.00 0.20 -0.10 0.26 -1.23 0.00 0.00 174.94 174.07 2hna s TRP 50 N -0.93 1.01 0.01 3.97 0.52 -0.51 -3.20 118.94 119.80 2hna s TRP 50 Ca 0.11 -0.61 0.02 0.00 0.02 0.00 0.00 56.10 55.64 2hna s TRP 50 Cb -0.10 -0.56 -0.01 0.00 -1.15 0.00 0.00 33.47 31.65 2hna s TRP 50 CO 0.04 -0.01 -0.05 -0.51 0.02 0.00 0.00 176.95 176.43 2hna s LEU 51 N -2.21 2.09 -0.07 2.99 1.43 -0.60 -2.44 118.68 119.86 2hna s LEU 51 Ca 0.02 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2hna s LEU 51 Cb -0.05 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.98 2hna s LEU 51 CO 0.00 -0.04 -0.20 -0.69 0.23 0.00 0.00 176.35 175.65 2hna s VAL 52 N -0.54 1.72 -0.40 -1.59 1.01 -0.36 -0.47 120.40 119.77 2hna s VAL 52 Ca -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2hna s VAL 52 Cb -0.04 -1.49 0.13 0.00 0.00 0.00 0.00 36.38 34.98 2hna s VAL 52 CO -0.00 0.48 0.21 -0.63 0.00 0.00 0.00 175.10 175.16 2hna s ILE 53 N 0.28 1.11 0.03 2.22 1.09 -0.58 -0.84 121.20 124.50 2hna s ILE 53 Ca -0.13 -2.22 0.00 0.00 -1.10 0.00 0.00 60.65 57.20 2hna s ILE 53 Cb -0.16 -1.79 -0.00 0.00 -1.06 0.00 0.00 42.46 39.45 2hna s ILE 53 CO 0.06 -0.87 0.03 -1.20 -0.10 0.00 0.00 174.94 172.85 2hna n SER 54 N 3.84 -0.07 -3.76 3.58 7.64 -0.98 -0.60 113.62 123.27 2hna n SER 54 Ca 0.07 -1.17 -0.13 0.00 1.01 0.00 0.00 58.87 58.66 2hna n SER 54 Cb 0.36 0.16 -0.13 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.18 -0.17 0.00 6.43 0.01 -1.26 -1.13 113.70 116.40 2hna s SER 55 Ca 0.03 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2hna s SER 55 Cb 0.00 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2hna s SER 55 CO 0.02 -0.12 0.21 0.35 0.41 0.00 0.00 173.24 174.11 2hna n THR 56 N 3.82 0.04 -1.73 1.44 -2.24 -1.26 -3.97 114.28 110.37 2hna n THR 56 Ca -0.22 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 2hna n THR 56 Cb 0.54 1.59 -0.02 0.00 -2.10 0.00 0.00 70.33 70.35 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 -0.02 2.74 -2.69 4.78 -0.00 -1.26 -1.10 115.22 117.66 2hna n HIS 57 Ca 0.00 0.29 -0.22 0.00 -0.00 0.00 0.00 57.72 57.79 2hna n HIS 57 Cb 0.20 -2.57 0.01 0.00 -0.00 0.00 0.00 29.99 27.63 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hna n GLY 58 N 2.12 -0.51 3.24 1.57 0.00 -1.26 -1.02 105.19 109.32 2hna n GLY 58 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.75 0.00 0.00 4.61 0.00 -0.26 -4.66 120.51 117.45 2hna n ALA 59 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2hna n ALA 59 Cb 0.66 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.19 -0.79 0.30 0.00 0.00 -0.19 -3.14 105.19 101.17 2hna n GLY 60 Ca 0.00 -2.16 0.16 0.00 0.00 0.00 0.00 46.02 44.02 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 -5.09 1.61 3.58 -1.82 -3.43 116.42 111.27 2hna h ASP 61 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 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 0.03 -0.66 0.27 -2.88 0.00 0.00 179.24 176.00 2hna s ILE 62 N -4.43 0.32 0.09 2.25 -4.36 -1.26 -5.05 121.20 108.76 2hna s ILE 62 Ca -0.04 -1.91 0.22 0.00 -0.26 0.00 0.00 60.65 58.66 2hna s ILE 62 Cb 0.14 -1.90 0.22 0.00 1.25 0.00 0.00 42.46 42.17 2hna s ILE 62 CO 0.54 -0.63 1.63 -0.65 0.24 0.00 0.00 174.94 176.06 2hna h PRO 63 N 2.90 0.00 -1.70 0.37 0.11 -1.83 -2.68 132.00 129.18 2hna h PRO 63 Ca -0.35 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.29 2hna h PRO 63 Cb 1.18 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.93 2hna h PRO 63 CO 0.62 0.00 -1.06 -3.47 -0.21 0.00 0.00 178.00 173.88 2hna n ASP 64 N -2.35 0.12 -0.00 -2.05 2.03 -1.26 -4.84 116.55 108.20 2hna n ASP 64 Ca -0.01 -2.99 0.03 0.00 0.52 0.00 0.00 54.79 52.34 2hna n ASP 64 Cb 0.19 -0.25 0.39 0.00 -0.72 0.00 0.00 41.12 40.73 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 3.37 0.48 -0.45 1.67 -1.24 -1.42 -2.65 115.58 115.34 2hna h ASN 65 Ca 0.06 -0.03 -0.53 0.00 0.71 0.00 0.00 56.30 56.51 2hna h ASN 65 Cb 0.96 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.82 2hna h ASN 65 CO 0.44 0.39 1.81 0.18 -1.29 0.00 0.00 177.43 178.97 2hna n LEU 66 N -4.43 7.28 0.26 0.34 7.99 -1.26 -2.60 117.00 124.59 2hna n LEU 66 Ca 0.03 -4.12 -0.16 0.00 -0.01 0.00 0.00 56.01 51.75 2hna n LEU 66 Cb 0.10 -1.42 -0.08 0.00 -0.11 0.00 0.00 43.42 41.91 2hna n LEU 66 CO 0.36 1.92 0.70 0.77 -1.51 0.00 0.00 177.39 179.62 2hna h SER 67 N 4.03 -0.53 0.11 -1.43 4.64 -1.54 -0.10 113.55 118.74 2hna h SER 67 Ca 0.57 -0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.63 2hna h SER 67 Cb 0.69 0.14 0.03 0.00 -0.31 0.00 0.00 62.40 62.94 2hna h SER 67 CO 1.15 -0.35 -1.09 1.55 -0.87 0.00 0.00 176.83 177.22 2hna h PRO 68 N -0.66 0.55 0.10 4.77 0.13 -1.87 -3.35 132.00 131.68 2hna h PRO 68 Ca -0.06 -0.73 -0.01 0.00 -0.87 0.00 0.00 66.00 64.33 2hna h PRO 68 Cb 0.49 0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2hna h PRO 68 CO 0.10 1.32 -0.05 0.74 -0.23 0.00 0.00 178.00 179.89 2hna h PHE 69 N 0.12 -0.13 -0.44 1.56 -1.00 -1.74 -0.75 116.94 114.57 2hna h PHE 69 Ca -0.17 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.56 2hna h PHE 69 Cb 1.79 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 41.37 2hna h PHE 69 CO 0.13 0.10 0.07 -0.92 -1.61 0.00 0.00 178.31 176.08 2hna h TYR 70 N -0.34 0.77 -0.23 -0.55 3.20 -1.20 -0.00 116.97 118.61 2hna h TYR 70 Ca -0.01 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 2hna h TYR 70 Cb 0.29 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2hna h TYR 70 CO -0.01 0.74 0.11 0.93 -1.64 0.00 0.00 178.16 178.29 2hna h GLU 71 N 0.58 0.34 -0.18 1.82 5.08 -1.68 -2.62 114.58 117.92 2hna h GLU 71 Ca 0.13 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2hna h GLU 71 Cb 0.38 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2hna h GLU 71 CO 0.01 0.35 0.01 0.00 -1.00 0.00 0.00 179.01 178.38 2hna h ALA 72 N 0.97 1.68 0.94 3.43 0.00 -0.83 -0.79 119.26 124.67 2hna h ALA 72 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2hna h ALA 72 Cb 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2hna h ALA 72 CO -0.01 0.25 -0.45 -0.07 0.00 0.00 0.00 179.25 178.96 2hna h LEU 73 N 0.26 -1.07 -0.94 0.00 3.38 -0.72 -3.17 115.31 113.04 2hna h LEU 73 Ca 0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2hna h LEU 73 Cb 0.17 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2hna h LEU 73 CO 0.00 -0.75 0.00 1.56 0.09 0.00 0.00 178.44 179.35 2hna h GLN 74 N -1.31 0.00 -0.29 1.13 4.20 -1.16 0.14 115.11 117.82 2hna h GLN 74 Ca -0.13 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 2hna h GLN 74 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2hna h GLN 74 CO 0.21 0.00 -0.22 1.49 -0.67 0.00 0.00 178.83 179.65 2hna h GLU 75 N 0.00 0.53 0.00 1.46 4.81 -1.13 -3.38 114.58 116.88 2hna h GLU 75 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2hna h GLU 75 Cb 0.48 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2hna h GLU 75 CO 0.00 0.72 -0.70 0.00 -0.73 0.00 0.00 179.01 178.30 2hna n GLN 76 N -4.14 2.00 -3.79 1.92 10.64 -1.04 -5.07 117.38 117.90 2hna n GLN 76 Ca -0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 2hna n GLN 76 Cb 0.39 -0.85 0.01 0.00 -0.86 0.00 0.00 30.24 28.93 2hna n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2hna n LYS 77 N -1.15 -0.65 -0.69 2.61 5.02 0.46 -4.85 118.16 118.91 2hna n LYS 77 Ca 0.00 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 2hna n LYS 77 Cb 0.07 -1.41 0.20 0.00 -0.02 0.00 0.00 35.03 33.87 2hna n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hna s PRO 78 N -5.87 0.27 -1.54 1.97 0.04 -1.26 -4.85 135.00 123.76 2hna s PRO 78 Ca 0.23 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 2hna s PRO 78 Cb -0.13 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 2hna s PRO 78 CO 0.65 -3.02 2.58 -3.47 0.04 0.00 0.00 177.00 173.78 2hna n ASP 79 N -4.47 6.36 -0.35 6.66 2.03 -1.26 -4.35 116.55 121.17 2hna n ASP 79 Ca 0.08 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.66 2hna n ASP 79 Cb 0.53 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 4.74 0.36 0.00 -2.67 7.99 -1.24 -4.26 117.00 121.91 2hna n LEU 80 Ca 0.65 -0.18 0.05 0.00 -0.01 0.00 0.00 56.01 56.52 2hna n LEU 80 Cb 0.31 -0.18 0.29 0.00 -0.11 0.00 0.00 43.42 43.73 2hna n LEU 80 CO 0.87 0.09 0.57 -1.54 -1.51 0.00 0.00 177.39 175.88 2hna n SER 81 N 0.03 0.00 -0.03 -1.43 3.41 -1.25 -1.60 113.62 112.75 2hna n SER 81 Ca 0.00 -0.10 0.02 0.00 -0.26 0.00 0.00 58.87 58.53 2hna n SER 81 Cb 0.09 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.14 1.92 -2.44 7.33 0.00 -1.26 -4.96 120.51 119.96 2hna n ALA 82 Ca 0.06 -1.21 -0.17 0.00 0.00 0.00 0.00 53.44 52.13 2hna n ALA 82 Cb 0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.16 1.25 0.16 0.00 0.11 -0.62 -2.76 120.40 117.38 2hna s VAL 83 Ca 0.05 -1.80 0.10 0.00 -2.93 0.00 0.00 61.98 57.41 2hna s VAL 83 Cb 0.05 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 2hna s VAL 83 CO 0.01 -0.52 -0.24 0.00 -3.33 0.00 0.00 175.10 171.02 2hna s ARG 84 N -2.96 1.40 0.33 1.54 1.70 -1.20 -3.48 118.95 116.29 2hna s ARG 84 Ca 0.11 -1.41 0.07 0.00 -0.47 0.00 0.00 55.73 54.03 2hna s ARG 84 Cb -0.03 -1.73 -0.07 0.00 -0.57 0.00 0.00 34.95 32.55 2hna s ARG 84 CO 0.02 0.39 -0.03 -0.06 -1.08 0.00 0.00 175.30 174.54 2hna s PHE 85 N -1.46 2.18 -0.04 5.89 0.40 -0.11 -1.43 117.98 123.40 2hna s PHE 85 Ca 0.16 -0.70 -0.08 0.00 -0.60 0.00 0.00 56.93 55.71 2hna s PHE 85 Cb -0.09 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.11 2hna s PHE 85 CO 0.07 0.33 0.20 0.20 0.70 0.00 0.00 175.22 176.72 2hna s GLY 86 N -3.55 -0.09 -0.14 4.36 0.00 -1.02 -1.88 107.32 105.00 2hna s GLY 86 Ca 0.33 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.38 2hna s GLY 86 CO 0.15 0.20 -0.19 0.00 0.00 0.00 0.00 173.10 173.26 2hna s ALA 87 N -0.56 2.35 -0.05 3.20 0.00 -1.26 -1.22 121.76 124.23 2hna s ALA 87 Ca -0.07 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.86 2hna s ALA 87 Cb -0.04 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.00 2hna s ALA 87 CO 0.01 -0.01 -0.12 0.42 0.00 0.00 0.00 175.76 176.06 2hna s ILE 88 N 0.78 1.05 0.00 0.00 1.01 -0.02 -0.53 121.20 123.49 2hna s ILE 88 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2hna s ILE 88 Cb -0.16 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2hna s ILE 88 CO -0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2hna n GLY 89 N 3.50 2.15 3.57 6.18 0.00 0.08 -2.31 105.19 118.36 2hna n GLY 89 Ca -0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.29 1.75 0.64 -0.61 5.41 -0.28 -4.47 119.36 121.51 2hna n ILE 90 Ca 0.00 -0.44 0.08 0.00 1.00 0.00 0.00 62.75 63.39 2hna n ILE 90 Cb 0.00 -0.88 0.06 0.00 -0.71 0.00 0.00 39.64 38.11 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 0.10 0.00 7.39 0.00 -1.26 -4.77 105.19 108.12 2hna n GLY 91 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2hna n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hna n SER 92 N 0.86 0.00 -3.85 1.61 7.64 -1.26 -1.64 113.62 116.97 2hna n SER 92 Ca 0.09 0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 2hna n SER 92 Cb 0.38 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.47 2hna n SER 92 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2hna s ARG 93 N -1.92 0.38 0.00 1.43 1.81 -1.26 -2.72 118.95 116.67 2hna s ARG 93 Ca 0.00 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 2hna s ARG 93 Cb 0.00 0.16 0.00 0.00 -0.45 0.00 0.00 34.95 34.66 2hna s ARG 93 CO 0.00 -0.08 0.00 0.39 -0.68 0.00 0.00 175.30 174.93 2hna n GLU 94 N 1.97 0.00 0.00 3.54 -0.58 -1.26 -4.39 120.64 119.93 2hna n GLU 94 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2hna n GLU 94 Cb 0.57 -2.01 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 2hna n GLU 94 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2hna n TYR 95 N -1.38 0.00 0.93 -0.32 9.36 -1.22 -4.73 117.16 119.80 2hna n TYR 95 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 2hna n TYR 95 Cb 0.00 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 39.01 2hna n TYR 95 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2hna n ASP 96 N -0.01 2.42 0.00 2.98 5.75 -0.65 -4.09 116.55 122.95 2hna n ASP 96 Ca 0.00 -1.82 0.12 0.00 -0.01 0.00 0.00 54.79 53.08 2hna n ASP 96 Cb 0.15 -0.13 0.68 0.00 -1.03 0.00 0.00 41.12 40.79 2hna n ASP 96 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2hna n THR 97 N 0.83 0.13 0.27 2.12 -2.24 -1.26 -1.91 114.28 112.23 2hna n THR 97 Ca 0.17 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 2hna n THR 97 Cb 0.46 -0.63 0.36 0.00 -2.10 0.00 0.00 70.33 68.43 2hna n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2hna h PHE 98 N 0.00 0.00 -0.08 4.78 3.57 -1.96 -3.34 116.94 119.91 2hna h PHE 98 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 2hna h PHE 98 Cb 0.15 0.00 -0.31 0.00 2.79 0.00 0.00 35.95 38.57 2hna h PHE 98 CO 0.00 0.00 -0.93 0.00 -2.23 0.00 0.00 178.31 175.15 2hna n GLY 100 N 0.01 2.14 3.55 0.00 0.00 -1.19 -4.62 105.19 105.08 2hna n GLY 100 Ca 0.10 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna s ALA 101 N -1.00 -1.79 0.00 4.61 0.00 -1.20 -4.17 121.76 118.20 2hna s ALA 101 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2hna s ALA 101 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2hna s ALA 101 CO 0.00 -0.36 0.45 -0.89 0.00 0.00 0.00 175.76 174.97 2hna n ILE 102 N 1.21 0.17 -0.49 0.00 2.08 -1.26 -4.78 119.36 116.29 2hna n ILE 102 Ca -0.17 -0.40 0.43 0.00 0.56 0.00 0.00 62.75 63.16 2hna n ILE 102 Cb 0.57 1.18 0.75 0.00 -0.75 0.00 0.00 39.64 41.38 2hna n ILE 102 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 2hna h ASP 103 N 0.00 0.00 -1.19 4.38 3.58 -1.89 -2.11 116.42 119.19 2hna h ASP 103 Ca 0.00 0.00 0.36 0.00 0.42 0.00 0.00 57.03 57.81 2hna h ASP 103 Cb 0.32 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.26 2hna h ASP 103 CO 0.00 0.00 0.78 0.11 -2.88 0.00 0.00 179.24 177.25 2hna h LYS 104 N 0.00 0.21 0.72 0.28 1.57 -1.88 0.11 116.57 117.58 2hna h LYS 104 Ca 0.73 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.46 2hna h LYS 104 Cb 3.07 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 35.34 2hna h LYS 104 CO -0.01 0.14 -0.34 1.25 -0.57 0.00 0.00 179.45 179.92 2hna h LEU 105 N 0.22 -0.82 -0.97 2.94 7.12 -1.78 -1.27 115.31 120.75 2hna h LEU 105 Ca 0.71 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 58.64 2hna h LEU 105 Cb 2.09 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 42.42 2hna h LEU 105 CO -0.33 -0.56 -0.21 -0.33 -0.13 0.00 0.00 178.44 176.87 2hna h GLU 106 N -1.00 0.50 -0.55 1.25 4.39 -1.56 -3.11 114.58 114.50 2hna h GLU 106 Ca -0.10 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.43 2hna h GLU 106 Cb 0.75 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2hna h GLU 106 CO 0.16 0.68 0.36 0.00 -1.16 0.00 0.00 179.01 179.06 2hna h ALA 107 N 1.33 0.70 -0.72 3.43 0.00 -0.60 -0.51 119.26 122.88 2hna h ALA 107 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2hna h ALA 107 Cb 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2hna h ALA 107 CO 0.04 0.14 0.32 0.93 0.00 0.00 0.00 179.25 180.68 2hna h GLU 108 N 0.75 1.05 -0.37 0.00 4.39 -1.17 0.19 114.58 119.41 2hna h GLU 108 Ca 0.20 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2hna h GLU 108 Cb -0.09 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 2hna h GLU 108 CO -0.04 0.83 0.04 -0.07 -1.16 0.00 0.00 179.01 178.61 2hna h LEU 109 N 1.03 0.61 -0.83 1.33 3.38 -1.34 0.85 115.31 120.34 2hna h LEU 109 Ca 0.25 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2hna h LEU 109 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2hna h LEU 109 CO -0.03 0.73 -0.22 0.11 0.09 0.00 0.00 178.44 179.12 2hna h LYS 110 N 0.46 0.63 -0.38 1.13 1.57 -0.79 -2.00 116.57 117.19 2hna h LYS 110 Ca 0.11 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 2hna h LYS 110 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2hna h LYS 110 CO 0.01 0.80 -0.13 -0.97 -0.57 0.00 0.00 179.45 178.60 2hna h ASN 111 N 0.56 0.67 -0.11 0.86 -1.24 -0.81 -3.08 115.58 112.43 2hna h ASN 111 Ca 0.08 -0.20 -0.10 0.00 0.71 0.00 0.00 56.30 56.79 2hna h ASN 111 Cb 0.68 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 2hna h ASN 111 CO 0.05 0.82 -0.25 0.28 -1.29 0.00 0.00 177.43 177.04 2hna h SER 112 N 0.62 0.57 0.00 1.15 0.02 -0.13 -3.47 113.55 112.30 2hna h SER 112 Ca 0.11 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2hna h SER 112 Cb 0.58 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2hna h SER 112 CO 0.04 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.14 2hna n GLY 113 N -0.32 0.24 3.69 -3.77 0.00 -0.84 -3.69 105.19 100.49 2hna n GLY 113 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.04 -0.07 4.61 0.00 -1.11 -3.92 121.76 122.30 2hna s ALA 114 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.52 2hna s ALA 114 Cb 0.00 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 2hna s ALA 114 CO 0.00 -2.86 -0.22 -1.59 0.00 0.00 0.00 175.76 171.09 2hna s LYS 115 N -5.09 2.53 -0.67 0.00 -2.85 -1.23 -4.32 119.74 108.12 2hna s LYS 115 Ca 0.66 -0.81 -0.27 0.00 -1.00 0.00 0.00 55.97 54.54 2hna s LYS 115 Cb -0.17 -2.05 0.02 0.00 -2.06 0.00 0.00 37.83 33.58 2hna s LYS 115 CO 0.57 0.27 1.32 -1.14 0.10 0.00 0.00 175.35 176.46 2hna s GLN 116 N 0.09 3.25 0.55 1.78 0.74 -1.26 -0.94 119.66 123.87 2hna s GLN 116 Ca -0.09 0.04 -0.19 0.00 0.05 0.00 0.00 55.36 55.17 2hna s GLN 116 Cb -0.15 -4.14 -0.06 0.00 1.10 0.00 0.00 33.01 29.76 2hna s GLN 116 CO 0.05 -2.04 1.11 0.99 -0.55 0.00 0.00 175.29 174.85 2hna s THR 117 N 5.82 3.30 0.00 -0.34 2.01 -0.79 -4.73 115.64 120.91 2hna s THR 117 Ca 0.42 0.78 0.00 0.00 0.31 0.00 0.00 61.69 63.19 2hna s THR 117 Cb -0.09 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2hna s THR 117 CO 0.19 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 2hna n GLY 118 N -0.03 2.40 3.65 4.40 0.00 -1.26 -4.76 105.19 109.60 2hna n GLY 118 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 1.88 0.20 1.61 -1.05 -1.26 -5.14 118.70 114.94 2hna s GLU 119 Ca 0.00 -1.42 -0.32 0.00 -0.15 0.00 0.00 54.97 53.08 2hna s GLU 119 Cb 0.00 0.52 -0.12 0.00 -0.44 0.00 0.00 34.13 34.09 2hna s GLU 119 CO 0.00 -0.82 1.72 2.41 0.95 0.00 0.00 175.26 179.52 2hna n THR 120 N -0.49 0.02 -3.66 1.83 -1.04 -1.26 -4.73 114.28 104.95 2hna n THR 120 Ca -0.03 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.65 2hna n THR 120 Cb 0.61 -1.96 -0.05 0.00 -1.82 0.00 0.00 70.33 67.11 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 1.22 4.29 0.06 -4.42 0.20 0.31 -5.01 118.68 115.33 2hna s LEU 121 Ca 0.76 0.63 0.07 0.00 0.69 0.00 0.00 54.13 56.27 2hna s LEU 121 Cb -0.52 -3.19 -0.03 0.00 -0.43 0.00 0.00 46.19 42.03 2hna s LEU 121 CO 0.33 0.09 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.75 2hna s LYS 122 N -2.43 1.22 0.05 1.98 3.01 -1.26 -0.74 119.74 121.56 2hna s LYS 122 Ca 0.38 -0.96 -0.00 0.00 -1.01 0.00 0.00 55.97 54.38 2hna s LYS 122 Cb -0.13 -1.34 -0.03 0.00 -1.01 0.00 0.00 37.83 35.32 2hna s LYS 122 CO 0.22 0.33 -0.03 0.96 0.51 0.00 0.00 175.35 177.34 2hna s ILE 123 N -0.92 0.23 0.00 2.17 -5.25 -1.26 -1.09 121.20 115.08 2hna s ILE 123 Ca 0.06 -1.57 0.00 0.00 -0.99 0.00 0.00 60.65 58.15 2hna s ILE 123 Cb -0.09 -1.18 0.00 0.00 2.95 0.00 0.00 42.46 44.14 2hna s ILE 123 CO 0.02 -0.85 0.78 -3.20 -1.79 0.00 0.00 174.94 169.91 2hna n ASN 124 N 0.52 -0.76 -4.55 4.36 4.05 -1.26 -4.56 115.26 113.06 2hna n ASN 124 Ca -0.17 -1.56 -0.37 0.00 0.45 0.00 0.00 54.58 52.93 2hna n ASN 124 Cb 0.59 0.23 -0.03 0.00 1.23 0.00 0.00 39.78 41.80 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 0.00 3.17 -0.91 -1.44 1.10 -1.26 -3.18 121.20 118.69 2hna s ILE 125 Ca 0.00 0.10 -0.04 0.00 -0.51 0.00 0.00 60.65 60.20 2hna s ILE 125 Cb 0.00 -3.46 0.03 0.00 0.15 0.00 0.00 42.46 39.18 2hna s ILE 125 CO 0.00 -0.45 0.17 -0.11 -2.11 0.00 0.00 174.94 172.44 2hna n LEU 126 N 14.40 -1.00 -3.48 8.50 7.94 -1.26 -4.91 117.00 137.20 2hna n LEU 126 Ca 0.29 0.04 -0.15 0.00 -1.11 0.00 0.00 56.01 55.08 2hna n LEU 126 Cb 0.54 -1.86 -0.04 0.00 0.53 0.00 0.00 43.42 42.59 2hna n LEU 126 CO 0.71 -0.01 0.45 -0.62 -1.11 0.00 0.00 177.39 176.81 2hna s ASP 127 N -2.27 -0.59 0.08 1.96 2.15 -1.19 -5.15 116.67 111.65 2hna s ASP 127 Ca 0.15 0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.51 2hna s ASP 127 Cb -0.08 0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 2hna s ASP 127 CO 0.18 -0.76 -0.09 -1.38 -0.17 0.00 0.00 175.17 172.95 2hna s HIS 128 N -2.44 0.93 0.00 -5.34 -3.43 -1.26 -4.44 115.29 99.31 2hna s HIS 128 Ca -0.04 -0.62 0.00 0.00 -0.80 0.00 0.00 55.06 53.60 2hna s HIS 128 Cb -0.01 -0.53 0.00 0.00 -1.43 0.00 0.00 32.58 30.62 2hna s HIS 128 CO -0.02 -0.04 0.00 -3.47 -2.00 0.00 0.00 174.74 169.21 2hna n ASP 129 N 0.85 0.00 0.05 7.38 2.03 -1.26 -5.08 116.55 120.52 2hna n ASP 129 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2hna n ASP 129 Cb 0.57 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 2hna n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2hna n ILE 130 N -2.37 0.00 -0.02 5.18 2.08 -1.26 -4.99 119.36 117.98 2hna n ILE 130 Ca 0.00 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.15 2hna n ILE 130 Cb 0.00 -0.35 -0.11 0.00 -0.75 0.00 0.00 39.64 38.43 2hna n ILE 130 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2hna h PRO 131 N 0.00 0.26 -5.23 0.38 0.13 -1.85 -3.47 132.00 122.22 2hna h PRO 131 Ca 0.00 -0.27 -0.36 0.00 -0.87 0.00 0.00 66.00 64.50 2hna h PRO 131 Cb 0.00 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 31.14 2hna h PRO 131 CO 0.00 0.97 -0.52 0.39 -0.23 0.00 0.00 178.00 178.61 2hna n GLU 132 N -4.41 -3.32 -3.01 0.86 4.71 -1.26 -4.92 120.64 109.29 2hna n GLU 132 Ca -0.10 0.50 -0.11 0.00 -0.01 0.00 0.00 57.16 57.44 2hna n GLU 132 Cb 0.55 -5.20 -0.03 0.00 -1.01 0.00 0.00 31.44 25.76 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2hna s ASP 133 N -2.64 -0.50 0.65 1.62 2.15 -1.26 -5.10 116.67 111.60 2hna s ASP 133 Ca 0.35 -2.02 -0.16 0.00 0.43 0.00 0.00 52.55 51.14 2hna s ASP 133 Cb -0.18 1.18 -0.00 0.00 -0.30 0.00 0.00 42.92 43.61 2hna s ASP 133 CO 0.43 -0.11 1.14 -2.16 -0.17 0.00 0.00 175.17 174.31 2hna s PRO 134 N 0.76 2.76 -0.29 4.34 0.04 -1.26 -4.51 135.00 136.84 2hna s PRO 134 Ca 0.29 1.55 0.20 0.00 0.04 0.00 0.00 61.00 63.08 2hna s PRO 134 Cb -0.00 -1.93 0.48 0.00 0.04 0.00 0.00 34.50 33.08 2hna s PRO 134 CO -0.09 -1.31 1.19 0.00 0.04 0.00 0.00 177.00 176.82 2hna n ALA 135 N -2.23 2.70 0.33 8.56 0.00 -0.25 -4.93 120.51 124.70 2hna n ALA 135 Ca 0.12 -2.39 0.20 0.00 0.00 0.00 0.00 53.44 51.37 2hna n ALA 135 Cb 0.51 -0.88 1.09 0.00 0.00 0.00 0.00 19.45 20.17 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 2.32 0.00 -0.14 0.00 9.09 -1.95 -1.14 114.58 122.76 2hna h GLU 136 Ca -0.20 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.25 2hna h GLU 136 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 2hna h GLU 136 CO 0.14 0.00 0.15 0.93 0.05 0.00 0.00 179.01 180.28 2hna h GLU 137 N 0.00 0.00 -0.82 1.06 4.39 -1.95 -1.02 114.58 116.23 2hna h GLU 137 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 2hna h GLU 137 Cb 0.18 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 2hna h GLU 137 CO 0.00 0.00 0.49 -1.49 -1.16 0.00 0.00 179.01 176.85 2hna h TRP 138 N 0.00 0.89 -0.09 4.33 -0.00 -1.62 -0.83 115.95 118.62 2hna h TRP 138 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.98 2hna h TRP 138 Cb 0.36 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 29.24 2hna h TRP 138 CO 0.00 0.42 0.04 1.25 -0.00 0.00 0.00 178.44 180.15 2hna h LEU 139 N 0.86 0.13 -0.52 -4.49 5.85 -1.40 0.16 115.31 115.90 2hna h LEU 139 Ca 0.37 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.04 2hna h LEU 139 Cb 0.25 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2hna h LEU 139 CO -0.20 0.24 0.10 1.23 -0.34 0.00 0.00 178.44 179.47 2hna h GLY 140 N 0.01 0.63 0.88 3.75 0.00 -1.51 0.11 103.07 106.94 2hna h GLY 140 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2hna h GLY 140 CO -0.00 -0.09 -0.21 0.23 0.00 0.00 0.00 176.54 176.47 2hna h SER 141 N 0.23 -0.51 -1.00 0.19 0.87 -0.79 -0.82 113.55 111.73 2hna h SER 141 Ca 0.27 -0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.89 2hna h SER 141 Cb 0.37 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.38 2hna h SER 141 CO -0.35 -0.27 0.63 -0.25 -0.53 0.00 0.00 176.83 176.06 2hna h TRP 142 N -0.73 1.14 0.71 2.24 7.01 -0.33 0.14 115.95 126.12 2hna h TRP 142 Ca -0.06 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.94 2hna h TRP 142 Cb 0.52 -0.36 0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2hna h TRP 142 CO -0.02 0.47 -0.34 0.28 -2.79 0.00 0.00 178.44 176.05 2hna h VAL 143 N 1.01 0.14 0.00 2.65 2.07 -0.74 -2.91 116.25 118.46 2hna h VAL 143 Ca 0.48 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2hna h VAL 143 Cb 0.45 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2hna h VAL 143 CO -0.25 0.02 0.00 -0.55 0.02 0.00 0.00 177.57 176.81 2hna h ASN 144 N -1.16 0.00 0.07 0.57 -0.00 -0.11 0.23 115.58 115.19 2hna h ASN 144 Ca -0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 55.96 2hna h ASN 144 Cb 0.75 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.08 2hna h ASN 144 CO 0.16 0.00 -0.93 -0.07 -0.00 0.00 0.00 177.43 176.59 2hna h LEU 145 N 0.00 0.79 0.03 6.14 4.07 -1.04 -3.34 115.31 121.96 2hna h LEU 145 Ca 0.00 -0.59 -0.26 0.00 0.08 0.00 0.00 57.88 57.11 2hna h LEU 145 Cb 0.27 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.78 2hna h LEU 145 CO 0.00 1.39 -1.14 0.17 -1.08 0.00 0.00 178.44 177.78 2hna h LEU 146 N 0.38 0.42 0.00 1.67 8.10 -0.81 -3.51 115.31 121.56 2hna h LEU 146 Ca -0.09 -0.42 0.00 0.00 0.11 0.00 0.00 57.88 57.48 2hna h LEU 146 Cb 1.57 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 41.65 2hna h LEU 146 CO 0.18 1.29 0.00 0.29 -4.11 0.00 0.00 178.44 176.09