#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlo n TYR 3 N 0.00 0.00 -4.14 9.51 4.01 -1.26 -5.22 117.16 120.06 3dlo n TYR 3 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3dlo n TYR 3 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 3dlo n TYR 3 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3dlo s PRO 5 N 4.61 1.72 -0.13 -0.72 0.04 -1.26 -5.00 135.00 134.26 3dlo s PRO 5 Ca 0.00 -1.74 -0.17 0.00 0.04 0.00 0.00 61.00 59.13 3dlo s PRO 5 Cb 0.00 0.39 -0.04 0.00 0.04 0.00 0.00 34.50 34.89 3dlo s PRO 5 CO 0.00 -0.68 0.43 0.42 0.04 0.00 0.00 177.00 177.21 3dlo s ILE 6 N -3.43 5.22 -0.14 0.56 -1.09 0.04 -1.12 121.20 121.24 3dlo s ILE 6 Ca 0.33 0.85 -0.09 0.00 -2.23 0.00 0.00 60.65 59.52 3dlo s ILE 6 Cb 0.01 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3dlo s ILE 6 CO 0.19 0.34 0.17 -0.69 -1.23 0.00 0.00 174.94 173.73 3dlo s VAL 7 N 0.58 5.43 -0.09 2.92 1.01 -0.64 -0.50 120.40 129.10 3dlo s VAL 7 Ca 0.24 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.50 3dlo s VAL 7 Cb -0.15 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3dlo s VAL 7 CO 0.09 0.55 -0.09 0.54 0.00 0.00 0.00 175.10 176.19 3dlo s VAL 8 N -0.52 1.02 -0.19 2.92 0.11 -0.45 -0.22 120.40 123.07 3dlo s VAL 8 Ca 0.14 -0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 58.70 3dlo s VAL 8 Cb -0.12 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 3dlo s VAL 8 CO 0.03 0.35 0.34 0.00 -3.33 0.00 0.00 175.10 172.50 3dlo s ALA 9 N 1.30 3.57 0.02 1.54 0.00 -0.85 -0.32 121.76 127.03 3dlo s ALA 9 Ca -0.03 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.48 3dlo s ALA 9 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 3dlo s ALA 9 CO -0.04 -0.14 -0.19 0.14 0.00 0.00 0.00 175.76 175.53 3dlo s VAL 10 N 0.97 1.54 -0.07 0.00 -7.23 -0.70 -4.46 120.40 110.45 3dlo s VAL 10 Ca 0.17 -1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3dlo s VAL 10 Cb -0.14 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 3dlo s VAL 10 CO 0.06 0.25 -0.09 -0.67 -0.31 0.00 0.00 175.10 174.35 3dlo n ASP 11 N 2.11 0.86 -3.68 4.85 2.03 -1.26 -4.59 116.55 116.88 3dlo n ASP 11 Ca -0.16 0.43 -0.19 0.00 0.52 0.00 0.00 54.79 55.39 3dlo n ASP 11 Cb 0.54 -0.68 -0.09 0.00 -0.72 0.00 0.00 41.12 40.17 3dlo n ASP 11 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3dlo s LYS 12 N -1.59 1.65 -0.21 -0.67 -2.85 -1.26 -4.96 119.74 109.85 3dlo s LYS 12 Ca -0.07 -1.95 -0.29 0.00 -1.00 0.00 0.00 55.97 52.66 3dlo s LYS 12 Cb 0.01 0.16 -0.01 0.00 -2.06 0.00 0.00 37.83 35.93 3dlo s LYS 12 CO 0.10 -0.56 1.27 0.15 0.10 0.00 0.00 175.35 176.42 3dlo s LYS 13 N -3.65 4.13 0.23 1.78 1.02 -1.26 -4.67 119.74 117.31 3dlo s LYS 13 Ca 0.38 1.53 -0.20 0.00 0.02 0.00 0.00 55.97 57.70 3dlo s LYS 13 Cb 0.04 -3.80 0.03 0.00 -0.52 0.00 0.00 37.83 33.58 3dlo s LYS 13 CO 0.22 -0.84 0.62 -1.54 -0.92 0.00 0.00 175.35 172.89 3dlo s SER 14 N 2.23 -0.31 0.21 2.83 1.04 -1.26 -4.99 113.70 113.45 3dlo s SER 14 Ca 0.55 -0.47 -0.09 0.00 0.48 0.00 0.00 55.95 56.43 3dlo s SER 14 Cb -0.20 0.65 0.30 0.00 0.10 0.00 0.00 66.02 66.87 3dlo s SER 14 CO 0.17 -1.16 1.74 0.44 0.98 0.00 0.00 173.24 175.41 3dlo h ASP 15 N 2.08 0.22 -0.66 7.02 5.19 -2.00 -1.42 116.42 126.85 3dlo h ASP 15 Ca -0.26 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.20 3dlo h ASP 15 Cb 1.27 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 3dlo h ASP 15 CO 0.31 0.12 0.27 -0.09 -3.12 0.00 0.00 179.24 176.73 3dlo h ARG 16 N 0.41 0.98 -0.38 3.56 2.43 -1.95 -2.44 114.38 116.99 3dlo h ARG 16 Ca 0.32 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3dlo h ARG 16 Cb 0.42 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3dlo h ARG 16 CO -0.33 0.82 0.02 0.00 -1.51 0.00 0.00 179.97 178.97 3dlo h ALA 17 N 1.11 1.32 -0.63 2.80 0.00 -1.69 -1.26 119.26 120.91 3dlo h ALA 17 Ca 0.22 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3dlo h ALA 17 Cb 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3dlo h ALA 17 CO -0.02 0.47 0.26 0.93 0.00 0.00 0.00 179.25 180.89 3dlo h GLU 18 N 0.57 0.45 -0.49 0.00 5.08 -0.80 -1.23 114.58 118.16 3dlo h GLU 18 Ca 0.12 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3dlo h GLU 18 Cb 0.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3dlo h GLU 18 CO 0.01 0.30 -0.17 0.00 -1.00 0.00 0.00 179.01 178.15 3dlo h ARG 19 N 0.46 0.97 -0.68 2.33 3.08 -1.08 0.77 114.38 120.24 3dlo h ARG 19 Ca 0.31 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3dlo h ARG 19 Cb 0.36 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3dlo h ARG 19 CO -0.29 1.07 0.41 0.28 -1.07 0.00 0.00 179.97 180.37 3dlo h VAL 20 N 0.83 1.20 0.08 2.04 2.07 -0.99 -1.31 116.25 120.16 3dlo h VAL 20 Ca 0.12 -0.44 -0.27 0.00 0.82 0.00 0.00 66.70 66.93 3dlo h VAL 20 Cb 0.74 0.26 0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3dlo h VAL 20 CO 0.06 0.20 -1.11 -0.07 0.02 0.00 0.00 177.57 176.67 3dlo h LEU 21 N 0.92 0.84 -0.95 2.57 3.38 -0.94 -1.20 115.31 119.94 3dlo h LEU 21 Ca 0.24 -0.80 0.04 0.00 0.09 0.00 0.00 57.88 57.45 3dlo h LEU 21 Cb -0.02 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 3dlo h LEU 21 CO -0.05 1.55 0.61 0.03 0.09 0.00 0.00 178.44 180.68 3dlo h ARG 22 N 0.23 1.15 -0.48 1.13 3.08 -0.73 0.17 114.38 118.93 3dlo h ARG 22 Ca -0.16 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 3dlo h ARG 22 Cb 1.79 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 3dlo h ARG 22 CO 0.21 0.76 -0.18 0.35 -1.07 0.00 0.00 179.97 180.05 3dlo h PHE 23 N 1.18 1.11 -0.79 3.04 3.04 -0.96 -2.16 116.94 121.40 3dlo h PHE 23 Ca 0.38 -0.26 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 3dlo h PHE 23 Cb 0.02 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.23 3dlo h PHE 23 CO -0.01 1.07 0.34 0.00 -2.02 0.00 0.00 178.31 177.69 3dlo h ALA 24 N 0.87 1.10 -0.51 2.41 0.00 -0.83 -2.05 119.26 120.24 3dlo h ALA 24 Ca 0.11 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3dlo h ALA 24 Cb 0.75 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3dlo h ALA 24 CO 0.06 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.94 3dlo h ALA 25 N 1.22 0.99 0.07 0.00 0.00 -0.50 -1.64 119.26 119.40 3dlo h ALA 25 Ca 0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dlo h ALA 25 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dlo h ALA 25 CO -0.03 0.61 -0.03 1.49 0.00 0.00 0.00 179.25 181.30 3dlo h GLU 26 N 0.82 -0.09 -0.86 0.00 4.81 -1.20 0.89 114.58 118.95 3dlo h GLU 26 Ca 0.15 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.49 3dlo h GLU 26 Cb 0.52 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 3dlo h GLU 26 CO 0.03 -0.03 0.50 0.93 -0.73 0.00 0.00 179.01 179.71 3dlo h GLU 27 N -0.12 0.79 -0.36 1.92 4.39 -1.25 -0.90 114.58 119.04 3dlo h GLU 27 Ca -0.01 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3dlo h GLU 27 Cb 0.10 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3dlo h GLU 27 CO 0.02 0.52 -0.02 0.00 -1.16 0.00 0.00 179.01 178.36 3dlo h ALA 28 N 1.48 0.49 -0.36 3.43 0.00 -0.96 -2.11 119.26 121.24 3dlo h ALA 28 Ca 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3dlo h ALA 28 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3dlo h ALA 28 CO -0.27 0.28 0.19 0.00 0.00 0.00 0.00 179.25 179.46 3dlo h ARG 29 N 0.46 0.51 -0.96 0.00 3.08 -0.49 0.38 114.38 117.36 3dlo h ARG 29 Ca 0.10 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.17 3dlo h ARG 29 Cb 0.50 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 3dlo h ARG 29 CO 0.02 0.43 0.61 -0.07 -1.07 0.00 0.00 179.97 179.89 3dlo h LEU 30 N 0.45 0.94 0.00 3.04 3.38 -1.08 -3.02 115.31 119.02 3dlo h LEU 30 Ca 0.13 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3dlo h LEU 30 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3dlo h LEU 30 CO -0.02 0.57 -0.84 0.03 0.09 0.00 0.00 178.44 178.27 3dlo h ARG 31 N 1.06 0.00 -3.14 1.13 3.08 -1.20 -3.49 114.38 111.82 3dlo h ARG 31 Ca 0.44 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.32 3dlo h ARG 31 Cb 0.28 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.39 3dlo h ARG 31 CO -0.21 0.07 -0.29 0.41 -1.07 0.00 0.00 179.97 178.88 3dlo n GLY 32 N 1.20 0.28 3.22 0.04 0.00 0.13 -5.06 105.19 105.00 3dlo n GLY 32 Ca -0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 3dlo n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dlo s VAL 33 N -3.14 0.85 0.67 1.61 -7.23 -0.91 -5.06 120.40 107.18 3dlo s VAL 33 Ca 0.21 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 3dlo s VAL 33 Cb -0.09 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.98 3dlo s VAL 33 CO 0.31 -0.71 1.03 -2.16 -0.31 0.00 0.00 175.10 173.26 3dlo s PRO 34 N -3.83 2.89 -0.18 4.82 0.04 -1.26 -4.56 135.00 132.91 3dlo s PRO 34 Ca 0.17 0.31 -0.06 0.00 0.04 0.00 0.00 61.00 61.46 3dlo s PRO 34 Cb 0.05 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3dlo s PRO 34 CO -0.00 -0.92 0.02 0.08 0.04 0.00 0.00 177.00 176.22 3dlo s VAL 35 N -3.23 4.35 -0.32 -0.36 1.01 0.71 -0.78 120.40 121.78 3dlo s VAL 35 Ca 0.57 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3dlo s VAL 35 Cb -0.11 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3dlo s VAL 35 CO 0.50 0.45 0.21 -0.31 0.00 0.00 0.00 175.10 175.94 3dlo s TYR 36 N 0.60 3.21 -0.16 5.22 1.51 0.34 -1.01 117.35 127.07 3dlo s TYR 36 Ca 0.01 -0.27 -0.18 0.00 -1.01 0.00 0.00 57.07 55.63 3dlo s TYR 36 Cb -0.14 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 3dlo s TYR 36 CO 0.02 -0.36 0.47 0.08 -1.11 0.00 0.00 175.55 174.65 3dlo s VAL 37 N 1.70 5.17 0.15 0.71 1.01 -0.33 -1.34 120.40 127.47 3dlo s VAL 37 Ca 0.06 0.90 0.10 0.00 0.00 0.00 0.00 61.98 63.04 3dlo s VAL 37 Cb -0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3dlo s VAL 37 CO 0.09 0.27 -0.23 0.68 0.00 0.00 0.00 175.10 175.91 3dlo s VAL 38 N 1.04 2.07 -0.08 2.92 -7.23 0.56 -1.42 120.40 118.27 3dlo s VAL 38 Ca 0.24 -1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 3dlo s VAL 38 Cb -0.15 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 34.92 3dlo s VAL 38 CO 0.09 -0.09 0.19 -2.28 -0.31 0.00 0.00 175.10 172.71 3dlo s HIS 39 N -1.46 -0.22 -0.10 2.82 2.46 -1.19 -1.72 115.29 115.88 3dlo s HIS 39 Ca 0.15 0.56 -0.01 0.00 0.47 0.00 0.00 55.06 56.23 3dlo s HIS 39 Cb -0.09 0.02 -0.03 0.00 -0.13 0.00 0.00 32.58 32.36 3dlo s HIS 39 CO 0.07 -0.15 -0.06 0.45 -2.47 0.00 0.00 174.74 172.58 3dlo s SER 40 N 0.68 4.71 0.04 9.88 0.15 -1.26 -1.23 113.70 126.68 3dlo s SER 40 Ca -0.05 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.59 3dlo s SER 40 Cb -0.06 -1.38 -0.02 0.00 -1.71 0.00 0.00 66.02 62.85 3dlo s SER 40 CO -0.04 0.31 -0.11 -0.76 1.20 0.00 0.00 173.24 173.84 3dlo s LEU 41 N -0.46 2.19 0.15 3.45 1.43 0.02 -4.81 118.68 120.65 3dlo s LEU 41 Ca 0.07 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3dlo s LEU 41 Cb -0.12 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.69 3dlo s LEU 41 CO 0.02 -0.06 1.44 1.55 0.23 0.00 0.00 176.35 179.53 3dlo h PRO 42 N 4.83 0.70 0.00 1.29 0.13 -1.85 -3.29 132.00 133.81 3dlo h PRO 42 Ca -0.36 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 3dlo h PRO 42 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3dlo h PRO 42 CO 0.43 1.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.70 3dlo n GLY 43 N 0.37 0.81 1.29 1.56 0.00 -1.26 -1.35 105.19 106.61 3dlo n GLY 43 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3dlo n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlo n GLY 44 N -1.70 0.33 0.00 -0.02 0.00 -1.26 -4.87 105.19 97.68 3dlo n GLY 44 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3dlo n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlo n GLY 45 N 2.38 -0.05 0.14 -0.02 0.00 -1.26 -1.22 105.19 105.16 3dlo n GLY 45 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3dlo n GLY 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dlo h ARG 46 N 0.00 0.32 -6.24 1.61 -0.00 -2.02 -3.44 114.38 104.62 3dlo h ARG 46 Ca 0.00 -0.54 -0.57 0.00 -0.00 0.00 0.00 59.98 58.86 3dlo h ARG 46 Cb 0.00 0.20 -0.02 0.00 -0.00 0.00 0.00 29.97 30.15 3dlo h ARG 46 CO 0.00 1.26 1.27 0.99 -0.00 0.00 0.00 179.97 183.49 3dlo s THR 47 N -2.56 3.44 0.42 0.08 2.01 -0.36 -5.00 115.64 113.68 3dlo s THR 47 Ca -0.19 0.47 -0.11 0.00 0.31 0.00 0.00 61.69 62.17 3dlo s THR 47 Cb 0.06 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 3dlo s THR 47 CO 0.80 -0.30 0.79 -1.59 -0.69 0.00 0.00 174.62 173.64 3dlo s LYS 48 N 5.43 3.78 0.49 4.92 -2.85 -1.26 -4.82 119.74 125.42 3dlo s LYS 48 Ca 0.81 0.50 0.16 0.00 -1.00 0.00 0.00 55.97 56.44 3dlo s LYS 48 Cb -0.26 -2.37 1.18 0.00 -2.06 0.00 0.00 37.83 34.32 3dlo s LYS 48 CO 0.33 -0.07 2.09 0.38 0.10 0.00 0.00 175.35 178.18 3dlo h ASP 49 N 1.16 0.00 0.74 0.03 -0.00 -1.97 -0.49 116.42 115.89 3dlo h ASP 49 Ca -0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 56.45 3dlo h ASP 49 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.50 3dlo h ASP 49 CO 0.63 0.08 -0.54 -0.33 -0.00 0.00 0.00 179.24 179.08 3dlo h GLU 50 N 0.00 0.00 0.03 4.15 5.08 -1.99 -2.00 114.58 119.85 3dlo h GLU 50 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dlo h GLU 50 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3dlo h GLU 50 CO 0.01 0.54 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.07 3dlo h ASP 51 N 0.00 -0.13 -0.52 1.42 3.32 -1.48 -0.92 116.42 118.11 3dlo h ASP 51 Ca -0.01 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3dlo h ASP 51 Cb 1.06 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3dlo h ASP 51 CO 0.07 -0.07 -0.01 0.40 -1.72 0.00 0.00 179.24 177.90 3dlo h ILE 52 N -0.10 1.26 0.53 0.35 1.08 -1.36 -2.05 117.51 117.23 3dlo h ILE 52 Ca 0.01 -1.12 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 3dlo h ILE 52 Cb 0.11 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3dlo h ILE 52 CO -0.03 0.39 -0.26 0.40 -0.69 0.00 0.00 178.15 177.96 3dlo h ILE 53 N 0.79 0.46 -0.79 -0.67 1.08 -1.33 -0.42 117.51 116.62 3dlo h ILE 53 Ca 0.14 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.80 3dlo h ILE 53 Cb 0.54 0.46 -0.12 0.00 -3.07 0.00 0.00 36.82 34.63 3dlo h ILE 53 CO 0.03 0.00 0.16 -0.08 -0.69 0.00 0.00 178.15 177.57 3dlo h GLU 54 N -0.73 0.21 -0.15 2.37 4.57 -1.10 -0.37 114.58 119.39 3dlo h GLU 54 Ca -0.07 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 3dlo h GLU 54 Cb 0.56 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3dlo h GLU 54 CO 0.11 0.14 -0.34 0.00 -1.18 0.00 0.00 179.01 177.74 3dlo h ALA 55 N 1.69 1.14 -0.42 2.92 0.00 -0.71 -0.56 119.26 123.32 3dlo h ALA 55 Ca 0.46 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3dlo h ALA 55 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3dlo h ALA 55 CO -0.59 0.56 -0.33 -0.22 0.00 0.00 0.00 179.25 178.67 3dlo h LYS 56 N 0.26 0.96 -0.58 0.00 1.63 0.28 -1.37 116.57 117.75 3dlo h LYS 56 Ca 0.03 -0.47 -0.10 0.00 -0.85 0.00 0.00 60.65 59.26 3dlo h LYS 56 Cb 0.73 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 3dlo h LYS 56 CO 0.06 1.14 -0.04 0.93 -3.45 0.00 0.00 179.45 178.09 3dlo h GLU 57 N 0.79 1.05 -0.26 1.90 5.08 -0.57 -1.21 114.58 121.35 3dlo h GLU 57 Ca 0.08 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3dlo h GLU 57 Cb 0.92 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3dlo h GLU 57 CO 0.09 1.05 0.04 1.15 -1.00 0.00 0.00 179.01 180.34 3dlo h THR 58 N 0.94 0.87 -0.76 1.13 2.02 -0.98 0.13 112.91 116.26 3dlo h THR 58 Ca 0.16 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3dlo h THR 58 Cb 0.60 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3dlo h THR 58 CO 0.04 0.03 0.38 -0.07 0.37 0.00 0.00 175.52 176.26 3dlo h LEU 59 N 0.14 0.98 -0.02 2.58 3.38 -1.02 0.11 115.31 121.47 3dlo h LEU 59 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dlo h LEU 59 Cb 0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dlo h LEU 59 CO -0.17 0.83 0.00 -1.28 0.09 0.00 0.00 178.44 177.92 3dlo h SER 60 N 1.07 0.03 -0.66 -0.43 0.87 -0.88 -0.28 113.55 113.26 3dlo h SER 60 Ca 0.26 -0.26 0.13 0.00 -1.23 0.00 0.00 61.79 60.70 3dlo h SER 60 Cb 0.09 -0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 61.95 3dlo h SER 60 CO -0.04 0.28 0.17 -0.25 -0.53 0.00 0.00 176.83 176.46 3dlo h TRP 61 N -0.22 0.27 -0.57 2.24 7.01 -0.52 -1.64 115.95 122.52 3dlo h TRP 61 Ca 0.01 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 3dlo h TRP 61 Cb 0.26 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.28 3dlo h TRP 61 CO 0.01 -0.03 0.19 0.00 -2.79 0.00 0.00 178.44 175.83 3dlo h ALA 62 N 1.52 0.74 -0.12 2.65 0.00 -0.41 -1.55 119.26 122.09 3dlo h ALA 62 Ca 0.36 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3dlo h ALA 62 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dlo h ALA 62 CO -0.43 0.39 -0.15 0.28 0.00 0.00 0.00 179.25 179.35 3dlo h VAL 63 N 0.79 1.17 -0.34 0.00 2.07 -0.64 -2.36 116.25 116.95 3dlo h VAL 63 Ca 0.19 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3dlo h VAL 63 Cb 0.26 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3dlo h VAL 63 CO -0.01 0.24 -0.02 0.77 0.02 0.00 0.00 177.57 178.57 3dlo h SER 64 N 0.19 0.50 -0.19 0.57 4.64 -0.37 -1.31 113.55 117.58 3dlo h SER 64 Ca 0.04 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3dlo h SER 64 Cb 0.38 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3dlo h SER 64 CO 0.02 0.59 -0.07 0.40 -0.87 0.00 0.00 176.83 176.90 3dlo h ILE 65 N 0.51 1.30 -0.47 0.95 1.08 -0.95 -1.27 117.51 118.65 3dlo h ILE 65 Ca 0.11 -1.08 0.05 0.00 -0.39 0.00 0.00 64.86 63.54 3dlo h ILE 65 Cb 0.36 1.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 3dlo h ILE 65 CO 0.01 0.33 0.20 0.40 -0.69 0.00 0.00 178.15 178.40 3dlo h ILE 66 N 0.07 0.90 -0.66 -0.67 1.08 -1.17 -1.38 117.51 115.68 3dlo h ILE 66 Ca 0.04 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.30 3dlo h ILE 66 Cb 0.53 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 3dlo h ILE 66 CO 0.02 0.07 0.10 0.03 -0.69 0.00 0.00 178.15 177.69 3dlo h ARG 67 N 0.40 1.10 0.00 2.37 3.08 -1.18 -1.94 114.38 118.20 3dlo h ARG 67 Ca 0.22 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3dlo h ARG 67 Cb 0.18 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3dlo h ARG 67 CO -0.19 1.01 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.42 3dlo h LYS 68 N 1.02 0.00 -0.26 0.04 3.11 -0.63 -1.17 116.57 118.67 3dlo h LYS 68 Ca 0.20 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 3dlo h LYS 68 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 3dlo h LYS 68 CO 0.01 0.08 0.00 0.39 -2.81 0.00 0.00 179.45 177.12 3dlo n GLU 69 N -4.19 1.72 -0.76 1.90 -0.58 -0.58 -4.92 120.64 113.24 3dlo n GLU 69 Ca -0.03 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.60 3dlo n GLU 69 Cb 0.16 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3dlo n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dlo n GLY 70 N 1.06 0.54 3.57 0.62 0.00 -0.44 -4.82 105.19 105.71 3dlo n GLY 70 Ca 0.13 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3dlo n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlo s ALA 71 N -2.00 3.01 -0.14 4.61 0.00 -0.98 -4.85 121.76 121.42 3dlo s ALA 71 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 49.85 3dlo s ALA 71 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3dlo s ALA 71 CO 0.00 0.15 0.46 -2.00 0.00 0.00 0.00 175.76 174.37 3dlo s GLU 72 N -3.63 4.30 0.06 0.00 2.12 -1.26 -3.66 118.70 116.64 3dlo s GLU 72 Ca 0.32 0.39 0.07 0.00 0.36 0.00 0.00 54.97 56.12 3dlo s GLU 72 Cb -0.02 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 3dlo s GLU 72 CO 0.18 0.11 -0.18 0.20 -0.54 0.00 0.00 175.26 175.03 3dlo s GLY 73 N 0.71 1.03 -0.05 -1.50 0.00 -1.26 -0.20 107.32 106.04 3dlo s GLY 73 Ca 0.24 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3dlo s GLY 73 CO 0.09 -1.02 -0.11 1.85 0.00 0.00 0.00 173.10 173.92 3dlo s GLU 74 N -1.46 1.33 0.13 2.90 2.12 -0.18 -4.94 118.70 118.61 3dlo s GLU 74 Ca 0.04 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 3dlo s GLU 74 Cb -0.09 -1.17 -0.06 0.00 0.26 0.00 0.00 34.13 33.07 3dlo s GLU 74 CO 0.02 0.07 1.00 -1.21 -0.54 0.00 0.00 175.26 174.60 3dlo s GLU 75 N 0.47 4.68 -0.39 4.30 2.02 -1.26 -1.19 118.70 127.33 3dlo s GLU 75 Ca -0.09 1.53 0.01 0.00 0.02 0.00 0.00 54.97 56.44 3dlo s GLU 75 Cb -0.13 -3.35 0.14 0.00 0.10 0.00 0.00 34.13 30.90 3dlo s GLU 75 CO 0.02 0.19 0.24 -1.01 0.02 0.00 0.00 175.26 174.71 3dlo s HIS 76 N -0.11 1.22 0.00 1.61 3.76 -0.51 -4.93 115.29 116.34 3dlo s HIS 76 Ca 0.47 -1.98 -0.30 0.00 -0.15 0.00 0.00 55.06 53.10 3dlo s HIS 76 Cb -0.25 -1.27 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 3dlo s HIS 76 CO 0.31 -0.81 0.99 -1.17 -0.85 0.00 0.00 174.74 173.22 3dlo s LEU 77 N 0.70 4.37 -0.31 0.89 2.96 -1.26 -3.17 118.68 122.85 3dlo s LEU 77 Ca 0.19 1.68 -0.04 0.00 -0.22 0.00 0.00 54.13 55.74 3dlo s LEU 77 Cb -0.21 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.96 3dlo s LEU 77 CO -0.01 -0.27 0.04 -0.76 -1.32 0.00 0.00 176.35 174.03 3dlo s LEU 78 N 1.02 4.05 -0.39 -0.68 1.43 -0.37 -4.96 118.68 118.78 3dlo s LEU 78 Ca 0.52 -1.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3dlo s LEU 78 Cb -0.21 -1.78 0.11 0.00 0.03 0.00 0.00 46.19 44.34 3dlo s LEU 78 CO 0.28 -0.28 0.13 -0.69 0.23 0.00 0.00 176.35 176.02 3dlo s VAL 79 N 1.32 1.94 -0.00 -1.59 1.01 -1.26 -0.80 120.40 121.01 3dlo s VAL 79 Ca -0.03 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 59.56 3dlo s VAL 79 Cb -0.19 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3dlo s VAL 79 CO 0.01 -0.70 0.65 0.54 0.00 0.00 0.00 175.10 175.60 3dlo n ARG 80 N 4.03 0.34 -1.48 2.72 1.74 -1.24 -4.95 116.66 117.82 3dlo n ARG 80 Ca 0.04 -0.73 -0.12 0.00 -0.77 0.00 0.00 57.85 56.27 3dlo n ARG 80 Cb 0.39 -0.57 -0.04 0.00 -1.02 0.00 0.00 32.46 31.21 3dlo n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dlo n GLY 81 N -0.09 1.04 3.63 -0.13 0.00 -0.46 -5.02 105.19 104.16 3dlo n GLY 81 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3dlo n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dlo s LYS 82 N -3.25 2.15 0.41 1.61 1.02 -1.26 -5.01 119.74 115.42 3dlo s LYS 82 Ca 0.00 -1.61 -0.23 0.00 0.02 0.00 0.00 55.97 54.15 3dlo s LYS 82 Cb 0.00 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 3dlo s LYS 82 CO 0.00 0.23 1.01 -1.21 -0.92 0.00 0.00 175.35 174.45 3dlo s GLU 83 N -3.70 4.17 0.24 1.68 0.41 -1.26 -4.16 118.70 116.08 3dlo s GLU 83 Ca 0.34 1.36 -0.05 0.00 -0.41 0.00 0.00 54.97 56.20 3dlo s GLU 83 Cb -0.03 -2.41 0.44 0.00 -1.78 0.00 0.00 34.13 30.36 3dlo s GLU 83 CO 0.20 -0.11 1.70 -1.35 -0.49 0.00 0.00 175.26 175.21 3dlo h PRO 84 N 2.28 0.31 -0.25 0.39 0.11 -1.95 -1.85 132.00 131.04 3dlo h PRO 84 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dlo h PRO 84 Cb 1.20 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3dlo h PRO 84 CO 0.62 0.21 0.15 -1.35 -0.21 0.00 0.00 178.00 177.42 3dlo h PRO 85 N 0.32 0.33 -0.74 1.05 0.11 -1.93 -1.37 132.00 129.76 3dlo h PRO 85 Ca 0.40 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.46 3dlo h PRO 85 Cb 0.66 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 3dlo h PRO 85 CO -0.46 0.25 0.34 -0.44 -0.21 0.00 0.00 178.00 177.48 3dlo h ASP 86 N 0.32 0.97 -0.50 -2.05 3.32 -1.82 -1.08 116.42 115.57 3dlo h ASP 86 Ca 0.09 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3dlo h ASP 86 Cb -0.00 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3dlo h ASP 86 CO -0.02 0.83 0.23 -0.78 -1.72 0.00 0.00 179.24 177.78 3dlo h ASP 87 N 1.06 0.67 -0.19 6.45 1.82 -1.05 0.01 116.42 125.19 3dlo h ASP 87 Ca 0.26 -0.14 -0.09 0.00 -0.39 0.00 0.00 57.03 56.67 3dlo h ASP 87 Cb 0.13 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 3dlo h ASP 87 CO -0.03 0.62 -0.23 0.40 -1.61 0.00 0.00 179.24 178.39 3dlo h ILE 88 N 0.67 1.34 -0.56 2.25 2.04 -0.84 0.11 117.51 122.52 3dlo h ILE 88 Ca 0.17 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 3dlo h ILE 88 Cb 0.14 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3dlo h ILE 88 CO -0.02 0.43 0.21 0.58 0.00 0.00 0.00 178.15 179.35 3dlo h VAL 89 N 0.14 1.23 -0.46 1.67 2.07 -1.17 -1.18 116.25 118.56 3dlo h VAL 89 Ca 0.02 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3dlo h VAL 89 Cb 0.79 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3dlo h VAL 89 CO 0.05 0.27 0.10 0.44 0.02 0.00 0.00 177.57 178.46 3dlo h ASP 90 N 0.77 0.71 -0.46 0.57 5.19 -0.88 -2.45 116.42 119.87 3dlo h ASP 90 Ca 0.19 -0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3dlo h ASP 90 Cb 0.22 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 3dlo h ASP 90 CO -0.01 0.77 0.29 0.15 -3.12 0.00 0.00 179.24 177.31 3dlo h PHE 91 N 0.62 0.55 -0.72 4.55 3.57 -0.59 -0.64 116.94 124.27 3dlo h PHE 91 Ca 0.14 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3dlo h PHE 91 Cb 0.34 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3dlo h PHE 91 CO 0.02 0.33 0.44 0.00 -2.23 0.00 0.00 178.31 176.87 3dlo h ALA 92 N 1.18 1.41 -0.14 2.41 0.00 -1.16 -1.18 119.26 121.79 3dlo h ALA 92 Ca 0.17 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3dlo h ALA 92 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3dlo h ALA 92 CO -0.06 0.51 -0.43 -0.44 0.00 0.00 0.00 179.25 178.83 3dlo h ASP 93 N 0.99 0.34 0.21 0.00 3.32 -0.93 -1.03 116.42 119.33 3dlo h ASP 93 Ca 0.26 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3dlo h ASP 93 Cb -0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3dlo h ASP 93 CO -0.05 0.74 -0.57 -0.33 -1.72 0.00 0.00 179.24 177.31 3dlo h GLU 94 N 0.27 0.37 -0.60 3.56 5.08 0.02 -2.85 114.58 120.42 3dlo h GLU 94 Ca 0.02 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3dlo h GLU 94 Cb 0.87 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3dlo h GLU 94 CO 0.07 0.84 0.00 1.33 -1.00 0.00 0.00 179.01 180.25 3dlo n VAL 95 N -3.92 0.88 -3.99 3.13 0.24 -0.64 -4.97 118.33 109.05 3dlo n VAL 95 Ca -0.03 -0.81 -0.27 0.00 -2.04 0.00 0.00 64.34 61.19 3dlo n VAL 95 Cb 0.60 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 3dlo n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3dlo n ASP 96 N 1.18 -1.11 -4.73 -1.34 2.03 -0.93 -4.42 116.55 107.25 3dlo n ASP 96 Ca 0.20 -0.99 -0.39 0.00 0.52 0.00 0.00 54.79 54.13 3dlo n ASP 96 Cb 0.53 -3.07 0.03 0.00 -0.72 0.00 0.00 41.12 37.89 3dlo n ASP 96 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dlo n ALA 97 N -4.41 1.48 -0.02 -1.67 0.00 -0.44 -4.42 120.51 111.03 3dlo n ALA 97 Ca -0.22 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 3dlo n ALA 97 Cb 0.64 -2.32 0.10 0.00 0.00 0.00 0.00 19.45 17.87 3dlo n ALA 97 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dlo h ILE 98 N 1.62 1.29 -2.19 0.00 2.04 -1.47 -3.47 117.51 115.34 3dlo h ILE 98 Ca -0.50 -1.53 0.14 0.00 1.00 0.00 0.00 64.86 63.96 3dlo h ILE 98 Cb 1.30 1.50 -0.15 0.00 -0.74 0.00 0.00 36.82 38.73 3dlo h ILE 98 CO 0.58 0.49 0.53 0.00 0.00 0.00 0.00 178.15 179.75 3dlo s ALA 99 N -4.30 -1.84 -0.17 1.87 0.00 -1.26 -4.28 121.76 111.78 3dlo s ALA 99 Ca -0.08 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 3dlo s ALA 99 Cb 0.12 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3dlo s ALA 99 CO 0.83 -0.72 -0.00 0.42 0.00 0.00 0.00 175.76 176.28 3dlo s ILE 100 N -3.05 4.12 -0.13 0.00 1.01 -0.07 -1.63 121.20 121.46 3dlo s ILE 100 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 3dlo s ILE 100 Cb -0.01 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 3dlo s ILE 100 CO -0.07 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 174.57 3dlo s VAL 101 N 0.52 3.59 -0.02 2.92 1.01 0.69 -0.01 120.40 129.11 3dlo s VAL 101 Ca -0.01 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3dlo s VAL 101 Cb -0.14 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3dlo s VAL 101 CO 0.02 0.53 0.24 -0.51 0.00 0.00 0.00 175.10 175.38 3dlo s ILE 102 N 0.08 0.06 0.32 2.22 2.07 -0.36 -2.00 121.20 123.60 3dlo s ILE 102 Ca -0.02 -0.51 -0.22 0.00 -1.41 0.00 0.00 60.65 58.48 3dlo s ILE 102 Cb -0.14 -0.52 -0.10 0.00 0.13 0.00 0.00 42.46 41.84 3dlo s ILE 102 CO 0.03 -0.28 0.87 -0.83 -1.91 0.00 0.00 174.94 172.82 3dlo s GLY 103 N -1.21 2.62 -0.12 1.50 0.00 -1.26 -0.83 107.32 108.03 3dlo s GLY 103 Ca -0.13 0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.96 3dlo s GLY 103 CO 0.03 0.72 -0.12 -0.42 0.00 0.00 0.00 173.10 173.31 3dlo s ILE 104 N -1.76 3.19 0.24 0.90 1.09 -0.16 -4.76 121.20 119.94 3dlo s ILE 104 Ca 0.51 -0.63 -0.00 0.00 -1.10 0.00 0.00 60.65 59.44 3dlo s ILE 104 Cb -0.15 -2.33 0.02 0.00 -1.06 0.00 0.00 42.46 38.93 3dlo s ILE 104 CO 0.20 0.54 1.63 0.03 -0.10 0.00 0.00 174.94 177.23 3dlo h ARG 105 N 6.40 0.52 0.00 2.79 3.08 -0.30 -3.42 114.38 123.45 3dlo h ARG 105 Ca -0.31 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.49 3dlo h ARG 105 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3dlo h ARG 105 CO 0.55 0.82 0.00 1.17 -1.07 0.00 0.00 179.97 181.44 3dlo n LYS 106 N -4.05 0.00 -4.19 0.04 4.81 0.12 -4.87 118.16 110.02 3dlo n LYS 106 Ca -0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.24 3dlo n LYS 106 Cb 0.49 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.42 3dlo n LYS 106 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3dlo s ARG 107 N 0.00 0.84 0.59 1.64 0.52 -1.26 -0.33 118.95 120.95 3dlo s ARG 107 Ca 0.00 -0.94 0.08 0.00 -0.52 0.00 0.00 55.73 54.34 3dlo s ARG 107 Cb 0.00 -0.85 0.10 0.00 0.52 0.00 0.00 34.95 34.72 3dlo s ARG 107 CO 0.00 0.19 0.81 -1.13 0.02 0.00 0.00 175.30 175.20 3dlo n SER 108 N 1.33 1.93 0.24 0.23 3.41 0.19 -4.83 113.62 116.11 3dlo n SER 108 Ca -0.21 -2.43 0.16 0.00 -0.26 0.00 0.00 58.87 56.13 3dlo n SER 108 Cb 0.54 -0.45 0.79 0.00 -0.26 0.00 0.00 64.21 64.83 3dlo n SER 108 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3dlo h PRO 109 N 0.00 0.00 -0.25 4.33 0.11 -2.01 0.88 132.00 135.06 3dlo h PRO 109 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3dlo h PRO 109 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dlo h PRO 109 CO 0.37 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.41 3dlo n THR 110 N -2.69 1.76 -0.77 -1.15 -2.24 -1.26 -4.98 114.28 102.95 3dlo n THR 110 Ca -0.01 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 3dlo n THR 110 Cb 0.14 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3dlo n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dlo n GLY 111 N -0.27 0.82 3.77 3.38 0.00 0.30 -5.01 105.19 108.17 3dlo n GLY 111 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3dlo n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dlo s LYS 112 N -0.23 4.02 -0.03 1.61 -0.14 -1.26 -4.60 119.74 119.11 3dlo s LYS 112 Ca 0.00 2.06 -0.30 0.00 -1.36 0.00 0.00 55.97 56.37 3dlo s LYS 112 Cb 0.00 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 3dlo s LYS 112 CO 0.00 -0.41 1.07 -0.51 -0.76 0.00 0.00 175.35 174.73 3dlo s LEU 113 N -2.40 4.31 0.01 3.17 1.43 -1.26 0.53 118.68 124.47 3dlo s LEU 113 Ca 0.56 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3dlo s LEU 113 Cb -0.36 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.31 3dlo s LEU 113 CO 0.46 -0.42 0.22 0.27 0.23 0.00 0.00 176.35 177.11 3dlo s ILE 114 N 1.58 0.08 0.01 -0.59 -4.36 0.56 -4.94 121.20 113.54 3dlo s ILE 114 Ca 0.53 -0.68 -0.13 0.00 -0.26 0.00 0.00 60.65 60.10 3dlo s ILE 114 Cb -0.22 -0.66 -0.34 0.00 1.25 0.00 0.00 42.46 42.49 3dlo s ILE 114 CO 0.24 -0.37 0.92 -0.26 0.24 0.00 0.00 174.94 175.71 3dlo h PHE 115 N 3.85 0.87 0.00 1.37 0.04 -1.95 0.34 116.94 121.46 3dlo h PHE 115 Ca -0.31 -0.64 0.00 0.00 2.80 0.00 0.00 57.97 59.83 3dlo h PHE 115 Cb 1.19 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3dlo h PHE 115 CO 0.54 1.57 0.00 0.41 -0.60 0.00 0.00 178.31 180.23 3dlo n GLY 116 N 1.74 1.69 0.27 -1.45 0.00 -1.26 0.30 105.19 106.47 3dlo n GLY 116 Ca -0.18 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 3dlo n GLY 116 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dlo h SER 117 N 0.00 0.88 -0.05 1.61 4.64 -2.00 -1.53 113.55 117.11 3dlo h SER 117 Ca 0.00 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3dlo h SER 117 Cb 0.00 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 3dlo h SER 117 CO 0.00 0.92 0.03 0.58 -0.87 0.00 0.00 176.83 177.48 3dlo h VAL 118 N 0.80 1.05 -0.79 0.95 2.07 -1.99 -2.88 116.25 115.47 3dlo h VAL 118 Ca 0.17 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3dlo h VAL 118 Cb 0.41 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3dlo h VAL 118 CO 0.01 0.04 0.34 0.00 0.02 0.00 0.00 177.57 177.98 3dlo h ALA 119 N 0.97 1.02 -0.30 1.67 0.00 -1.78 0.60 119.26 121.44 3dlo h ALA 119 Ca 0.02 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3dlo h ALA 119 Cb 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3dlo h ALA 119 CO -0.00 0.62 -0.02 -0.09 0.00 0.00 0.00 179.25 179.75 3dlo h ARG 120 N 1.13 0.06 0.00 0.00 2.43 -1.21 0.02 114.38 116.81 3dlo h ARG 120 Ca 0.27 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.24 3dlo h ARG 120 Cb 0.18 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3dlo h ARG 120 CO -0.03 0.04 -0.91 -0.44 -1.51 0.00 0.00 179.97 177.12 3dlo h ASP 121 N 0.06 0.00 -0.20 -3.80 3.32 -1.25 -2.63 116.42 111.92 3dlo h ASP 121 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3dlo h ASP 121 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3dlo h ASP 121 CO -0.27 0.91 0.13 0.58 -1.72 0.00 0.00 179.24 178.87 3dlo h VAL 122 N 0.00 1.07 -0.97 -1.35 2.07 -0.72 0.14 116.25 116.50 3dlo h VAL 122 Ca -0.01 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.40 3dlo h VAL 122 Cb 1.63 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 3dlo h VAL 122 CO 0.12 0.07 0.62 0.40 0.02 0.00 0.00 177.57 178.80 3dlo h ILE 123 N 0.26 1.08 0.02 4.57 2.04 -0.92 -1.79 117.51 122.76 3dlo h ILE 123 Ca 0.07 -0.39 -0.24 0.00 1.00 0.00 0.00 64.86 65.31 3dlo h ILE 123 Cb 0.01 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 35.90 3dlo h ILE 123 CO -0.01 0.21 -1.19 -0.07 0.00 0.00 0.00 178.15 177.09 3dlo h LEU 124 N 1.13 0.05 0.00 1.44 3.38 -1.22 -3.36 115.31 116.74 3dlo h LEU 124 Ca 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3dlo h LEU 124 Cb 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dlo h LEU 124 CO -0.17 1.05 -1.10 0.29 0.09 0.00 0.00 178.44 178.60 3dlo n LYS 125 N -3.31 0.46 -2.15 1.13 5.02 0.47 -4.97 118.16 114.80 3dlo n LYS 125 Ca -0.05 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.91 3dlo n LYS 125 Cb 0.97 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 34.31 3dlo n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dlo s ALA 126 N -3.30 2.80 -0.11 7.82 0.00 -0.69 -4.92 121.76 123.36 3dlo s ALA 126 Ca 0.01 0.97 0.16 0.00 0.00 0.00 0.00 51.96 53.10 3dlo s ALA 126 Cb 0.12 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 3dlo s ALA 126 CO 0.80 -0.88 0.89 -0.91 0.00 0.00 0.00 175.76 175.66 3dlo h ASN 127 N 1.52 0.00 -3.01 0.00 2.35 -1.91 -3.48 115.58 111.06 3dlo h ASN 127 Ca -0.50 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 54.79 3dlo h ASN 127 Cb 1.27 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.68 3dlo h ASN 127 CO 0.58 0.61 0.02 -0.54 -1.65 0.00 0.00 177.43 176.45 3dlo s LYS 128 N -2.90 2.78 0.45 0.81 -0.14 -1.26 -5.01 119.74 114.48 3dlo s LYS 128 Ca -0.02 -0.43 -0.24 0.00 -1.36 0.00 0.00 55.97 53.92 3dlo s LYS 128 Cb 0.09 -2.43 -0.09 0.00 -1.68 0.00 0.00 37.83 33.72 3dlo s LYS 128 CO 0.81 -0.61 1.10 -2.30 -0.76 0.00 0.00 175.35 173.59 3dlo n PRO 129 N -2.37 1.48 -4.51 -1.68 -0.02 -1.26 -4.84 135.00 121.80 3dlo n PRO 129 Ca 0.05 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 3dlo n PRO 129 Cb 0.59 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 3dlo n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dlo s VAL 130 N -1.29 1.85 -0.30 -1.45 1.01 -1.26 -0.89 120.40 118.07 3dlo s VAL 130 Ca 0.65 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 3dlo s VAL 130 Cb -0.51 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3dlo s VAL 130 CO 0.55 0.51 0.12 -0.63 0.00 0.00 0.00 175.10 175.66 3dlo s ILE 131 N 0.96 4.45 -0.25 2.22 1.01 0.99 -4.97 121.20 125.61 3dlo s ILE 131 Ca -0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 3dlo s ILE 131 Cb -0.15 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3dlo s ILE 131 CO -0.03 0.13 0.11 0.00 0.00 0.00 0.00 174.94 175.14 3dlo s ILE 133 N 1.46 2.75 -2.57 0.00 -1.09 -0.01 -4.94 121.20 116.80 3dlo s ILE 133 Ca 0.06 -0.79 0.27 0.00 -2.23 0.00 0.00 60.65 57.97 3dlo s ILE 133 Cb -0.15 -2.11 0.50 0.00 -1.58 0.00 0.00 42.46 39.12 3dlo s ILE 133 CO 0.05 0.55 1.67 0.29 -1.23 0.00 0.00 174.94 176.27