#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 -4.06 9.51 4.01 -1.26 -5.21 117.16 120.15 3dlo n TYR 3 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 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 1.60 1.48 -0.11 -0.72 0.04 -1.26 -4.93 135.00 131.10 3dlo s PRO 5 Ca 0.00 -1.39 -0.21 0.00 0.04 0.00 0.00 61.00 59.44 3dlo s PRO 5 Cb 0.00 0.41 -0.04 0.00 0.04 0.00 0.00 34.50 34.92 3dlo s PRO 5 CO 0.00 -0.59 0.59 0.42 0.04 0.00 0.00 177.00 177.46 3dlo s ILE 6 N -3.98 5.11 -0.13 0.56 -1.09 -0.29 -0.46 121.20 120.91 3dlo s ILE 6 Ca 0.28 1.18 -0.09 0.00 -2.23 0.00 0.00 60.65 59.79 3dlo s ILE 6 Cb 0.01 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 3dlo s ILE 6 CO 0.11 0.27 0.17 -0.69 -1.23 0.00 0.00 174.94 173.57 3dlo s VAL 7 N 0.88 5.43 -0.10 2.92 1.01 -0.37 -0.85 120.40 129.31 3dlo s VAL 7 Ca 0.31 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3dlo s VAL 7 Cb -0.16 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3dlo s VAL 7 CO 0.13 0.56 -0.14 0.54 0.00 0.00 0.00 175.10 176.19 3dlo s VAL 8 N -0.59 1.41 -0.22 2.92 0.11 -0.43 -0.29 120.40 123.31 3dlo s VAL 8 Ca 0.14 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.44 3dlo s VAL 8 Cb -0.12 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 3dlo s VAL 8 CO 0.03 0.42 0.40 0.00 -3.33 0.00 0.00 175.10 172.63 3dlo s ALA 9 N 1.01 3.56 -0.02 1.54 0.00 -0.78 -0.55 121.76 126.51 3dlo s ALA 9 Ca -0.07 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.37 3dlo s ALA 9 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 3dlo s ALA 9 CO -0.01 -0.42 -0.25 0.08 0.00 0.00 0.00 175.76 175.16 3dlo s VAL 10 N 1.56 1.95 -0.08 0.00 1.01 -0.92 -4.41 120.40 119.51 3dlo s VAL 10 Ca 0.18 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3dlo s VAL 10 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3dlo s VAL 10 CO 0.08 0.55 -0.14 -0.67 0.00 0.00 0.00 175.10 174.93 3dlo n ASP 11 N 2.55 0.89 -4.10 3.32 2.03 -1.26 -4.56 116.55 115.42 3dlo n ASP 11 Ca -0.16 0.25 -0.19 0.00 0.52 0.00 0.00 54.79 55.21 3dlo n ASP 11 Cb 0.52 -0.63 -0.09 0.00 -0.72 0.00 0.00 41.12 40.19 3dlo n ASP 11 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3dlo s LYS 12 N -1.80 1.57 -0.10 -0.67 1.02 -1.26 -4.95 119.74 113.56 3dlo s LYS 12 Ca -0.11 -1.89 -0.30 0.00 0.02 0.00 0.00 55.97 53.69 3dlo s LYS 12 Cb 0.02 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 3dlo s LYS 12 CO 0.17 -0.40 1.21 0.15 -0.92 0.00 0.00 175.35 175.55 3dlo s LYS 13 N -3.87 4.31 0.24 1.68 1.02 -1.26 -4.67 119.74 117.20 3dlo s LYS 13 Ca 0.35 1.65 -0.22 0.00 0.02 0.00 0.00 55.97 57.77 3dlo s LYS 13 Cb 0.06 -3.63 0.04 0.00 -0.52 0.00 0.00 37.83 33.77 3dlo s LYS 13 CO 0.16 -0.53 0.80 -1.54 -0.92 0.00 0.00 175.35 173.32 3dlo s SER 14 N 1.61 -0.22 0.24 2.83 1.04 -1.26 -5.00 113.70 112.95 3dlo s SER 14 Ca 0.55 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 3dlo s SER 14 Cb -0.23 0.65 0.26 0.00 0.10 0.00 0.00 66.02 66.80 3dlo s SER 14 CO 0.19 -1.21 1.81 -2.24 0.98 0.00 0.00 173.24 172.77 3dlo h ASP 15 N 2.00 1.00 -0.42 7.02 2.03 -2.00 -1.52 116.42 124.53 3dlo h ASP 15 Ca -0.21 -0.15 -0.04 0.00 -0.73 0.00 0.00 57.03 55.91 3dlo h ASP 15 Cb 1.24 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 39.47 3dlo h ASP 15 CO 0.24 0.89 0.12 -0.09 -1.03 0.00 0.00 179.24 179.37 3dlo h ARG 16 N 1.06 0.66 -0.92 4.15 2.43 -1.96 -1.75 114.38 118.05 3dlo h ARG 16 Ca 0.24 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3dlo h ARG 16 Cb 0.20 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3dlo h ARG 16 CO -0.02 0.66 0.61 0.00 -1.51 0.00 0.00 179.97 179.71 3dlo h ALA 17 N 0.97 1.35 -0.81 2.80 0.00 -1.71 0.08 119.26 121.95 3dlo h ALA 17 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dlo h ALA 17 Cb 0.28 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3dlo h ALA 17 CO -0.00 0.61 0.53 1.49 0.00 0.00 0.00 179.25 181.87 3dlo h GLU 18 N 1.25 1.02 -0.39 0.00 4.81 -0.69 -0.68 114.58 119.89 3dlo h GLU 18 Ca 0.34 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 3dlo h GLU 18 Cb -0.14 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.00 3dlo h GLU 18 CO -0.08 0.67 -0.25 0.00 -0.73 0.00 0.00 179.01 178.63 3dlo h ARG 19 N 1.05 0.81 -0.65 1.92 3.08 -0.59 -0.05 114.38 119.94 3dlo h ARG 19 Ca 0.31 -0.34 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3dlo h ARG 19 Cb -0.05 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 3dlo h ARG 19 CO -0.09 0.97 0.37 0.28 -1.07 0.00 0.00 179.97 180.43 3dlo h VAL 20 N 0.70 0.99 -0.17 2.04 2.07 -0.73 -0.63 116.25 120.53 3dlo h VAL 20 Ca 0.09 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3dlo h VAL 20 Cb 0.78 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3dlo h VAL 20 CO 0.06 0.13 -0.27 -0.07 0.02 0.00 0.00 177.57 177.44 3dlo h LEU 21 N 0.70 0.53 -1.21 2.57 3.38 -0.64 -0.90 115.31 119.73 3dlo h LEU 21 Ca 0.28 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3dlo h LEU 21 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3dlo h LEU 21 CO -0.16 0.96 0.34 0.03 0.09 0.00 0.00 178.44 179.70 3dlo h ARG 22 N 0.11 0.89 -0.19 1.13 2.47 -0.88 -0.48 114.38 117.43 3dlo h ARG 22 Ca 0.01 -0.10 -0.11 0.00 -1.26 0.00 0.00 59.98 58.52 3dlo h ARG 22 Cb 0.85 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3dlo h ARG 22 CO 0.06 0.66 -0.32 0.35 0.56 0.00 0.00 179.97 181.28 3dlo h PHE 23 N 0.90 0.69 -1.00 3.04 3.04 -0.97 -2.23 116.94 120.42 3dlo h PHE 23 Ca 0.23 -0.24 0.12 0.00 3.98 0.00 0.00 57.97 62.06 3dlo h PHE 23 Cb 0.04 -0.13 -0.08 0.00 2.56 0.00 0.00 35.95 38.33 3dlo h PHE 23 CO 0.01 0.97 0.63 0.00 -2.02 0.00 0.00 178.31 177.89 3dlo h ALA 24 N 0.60 1.50 -0.58 2.41 0.00 -0.99 -1.32 119.26 120.89 3dlo h ALA 24 Ca 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3dlo h ALA 24 Cb 0.91 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3dlo h ALA 24 CO 0.07 0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.64 3dlo h ALA 25 N 1.53 0.77 -0.36 0.00 0.00 -0.92 -1.88 119.26 118.41 3dlo h ALA 25 Ca 0.49 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3dlo h ALA 25 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dlo h ALA 25 CO -0.26 0.53 -0.29 1.49 0.00 0.00 0.00 179.25 180.71 3dlo h GLU 26 N 0.86 0.75 -0.46 0.00 4.81 -1.14 0.20 114.58 119.61 3dlo h GLU 26 Ca 0.17 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3dlo h GLU 26 Cb 0.43 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3dlo h GLU 26 CO 0.01 0.95 0.25 0.93 -0.73 0.00 0.00 179.01 180.42 3dlo h GLU 27 N 0.64 0.63 0.13 1.92 4.39 -1.08 0.23 114.58 121.43 3dlo h GLU 27 Ca 0.08 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.52 3dlo h GLU 27 Cb 0.81 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3dlo h GLU 27 CO 0.07 0.47 -0.90 0.00 -1.16 0.00 0.00 179.01 177.48 3dlo h ALA 28 N 1.64 -0.02 -0.10 3.43 0.00 -0.62 -2.73 119.26 120.85 3dlo h ALA 28 Ca 0.16 -0.78 0.03 0.00 0.00 0.00 0.00 54.91 54.33 3dlo h ALA 28 Cb 0.03 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3dlo h ALA 28 CO -0.03 0.46 -0.51 0.00 0.00 0.00 0.00 179.25 179.17 3dlo h ARG 29 N -0.41 -0.56 -1.12 0.00 3.08 -0.62 0.33 114.38 115.09 3dlo h ARG 29 Ca -0.17 0.04 0.32 0.00 0.07 0.00 0.00 59.98 60.23 3dlo h ARG 29 Cb 1.62 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 31.69 3dlo h ARG 29 CO 0.12 -0.37 0.72 -0.07 -1.07 0.00 0.00 179.97 179.29 3dlo h LEU 30 N -0.58 0.39 0.00 3.04 3.38 -0.91 -2.58 115.31 118.06 3dlo h LEU 30 Ca 0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dlo h LEU 30 Cb 0.68 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3dlo h LEU 30 CO -0.41 -0.00 -1.52 0.54 0.09 0.00 0.00 178.44 177.14 3dlo n ARG 31 N -4.67 0.67 -2.64 1.13 1.74 -0.88 -4.99 116.66 107.02 3dlo n ARG 31 Ca 0.29 -0.11 -0.05 0.00 -0.77 0.00 0.00 57.85 57.21 3dlo n ARG 31 Cb 1.04 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 31.07 3dlo n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dlo n GLY 32 N 1.42 0.53 3.25 -0.13 0.00 0.11 -5.06 105.19 105.31 3dlo n GLY 32 Ca -0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.07 0.94 0.60 1.61 -7.23 -0.96 -5.06 120.40 107.23 3dlo s VAL 33 Ca 0.10 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.16 3dlo s VAL 33 Cb -0.04 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3dlo s VAL 33 CO 0.16 -0.62 0.98 -2.16 -0.31 0.00 0.00 175.10 173.15 3dlo s PRO 34 N -3.83 3.44 -0.24 4.82 0.04 -1.26 -4.43 135.00 133.54 3dlo s PRO 34 Ca 0.20 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.68 3dlo s PRO 34 Cb 0.04 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3dlo s PRO 34 CO 0.02 -0.57 0.16 0.08 0.04 0.00 0.00 177.00 176.73 3dlo s VAL 35 N -3.10 5.35 -0.40 -0.36 1.01 0.80 -1.14 120.40 122.56 3dlo s VAL 35 Ca 0.54 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.56 3dlo s VAL 35 Cb -0.11 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3dlo s VAL 35 CO 0.51 0.35 0.27 -0.31 0.00 0.00 0.00 175.10 175.92 3dlo s TYR 36 N 1.05 3.24 -0.21 5.22 1.51 -0.03 -0.90 117.35 127.24 3dlo s TYR 36 Ca 0.07 -0.65 -0.23 0.00 -1.01 0.00 0.00 57.07 55.26 3dlo s TYR 36 Cb -0.13 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.15 3dlo s TYR 36 CO 0.04 -0.58 0.73 0.08 -1.11 0.00 0.00 175.55 174.71 3dlo s VAL 37 N 1.65 4.93 0.06 0.71 1.01 -0.18 -1.31 120.40 127.28 3dlo s VAL 37 Ca 0.04 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.51 3dlo s VAL 37 Cb -0.19 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3dlo s VAL 37 CO 0.09 0.03 -0.21 0.68 0.00 0.00 0.00 175.10 175.69 3dlo s VAL 38 N 2.26 2.56 -0.01 2.92 -7.23 0.28 -0.93 120.40 120.24 3dlo s VAL 38 Ca 0.33 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3dlo s VAL 38 Cb -0.16 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.72 3dlo s VAL 38 CO 0.10 0.29 -0.00 -2.28 -0.31 0.00 0.00 175.10 172.90 3dlo s HIS 39 N -0.93 0.13 -0.15 2.82 2.46 -1.12 -2.17 115.29 116.33 3dlo s HIS 39 Ca 0.14 0.02 -0.03 0.00 0.47 0.00 0.00 55.06 55.65 3dlo s HIS 39 Cb -0.10 -0.17 -0.03 0.00 -0.13 0.00 0.00 32.58 32.15 3dlo s HIS 39 CO 0.05 -0.04 -0.04 0.45 -2.47 0.00 0.00 174.74 172.68 3dlo s SER 40 N 0.41 4.76 0.06 9.88 0.15 -1.26 -1.26 113.70 126.44 3dlo s SER 40 Ca -0.04 -0.13 0.09 0.00 0.70 0.00 0.00 55.95 56.57 3dlo s SER 40 Cb -0.06 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.46 3dlo s SER 40 CO -0.01 0.18 -0.25 -0.76 1.20 0.00 0.00 173.24 173.60 3dlo s LEU 41 N 0.32 2.27 0.03 3.45 1.43 0.22 -4.83 118.68 121.58 3dlo s LEU 41 Ca -0.04 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 3dlo s LEU 41 Cb -0.14 -1.32 -0.17 0.00 0.03 0.00 0.00 46.19 44.59 3dlo s LEU 41 CO 0.03 0.24 1.40 1.55 0.23 0.00 0.00 176.35 179.80 3dlo h PRO 42 N 4.58 -0.39 -0.02 1.29 0.13 -1.84 -3.33 132.00 132.42 3dlo h PRO 42 Ca -0.47 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dlo h PRO 42 Cb 1.15 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3dlo h PRO 42 CO 0.43 -0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.49 3dlo n GLY 43 N -0.63 1.68 0.00 1.56 0.00 -1.26 -1.43 105.19 105.11 3dlo n GLY 43 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.81 1.44 0.00 -0.02 0.00 -1.26 -4.85 105.19 99.69 3dlo n GLY 44 Ca 0.00 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 5.00 -0.99 0.06 -0.02 0.00 -1.26 -3.52 105.19 104.46 3dlo n GLY 45 Ca 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.09 3dlo n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dlo n ARG 46 N -1.35 0.72 -3.77 1.61 0.63 -1.26 -4.61 116.66 108.62 3dlo n ARG 46 Ca 0.08 -0.12 -0.35 0.00 -0.92 0.00 0.00 57.85 56.53 3dlo n ARG 46 Cb 0.17 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.51 3dlo n ARG 46 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3dlo s THR 47 N -2.37 5.36 0.36 5.15 2.01 -1.23 -4.89 115.64 120.02 3dlo s THR 47 Ca 0.34 0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.59 3dlo s THR 47 Cb 0.21 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3dlo s THR 47 CO 0.44 0.46 0.19 -1.59 -0.69 0.00 0.00 174.62 173.43 3dlo s LYS 48 N 0.22 2.41 0.16 4.92 -2.85 -1.26 -4.87 119.74 118.47 3dlo s LYS 48 Ca 0.08 -1.56 -0.29 0.00 -1.00 0.00 0.00 55.97 53.20 3dlo s LYS 48 Cb -0.11 -2.20 -0.03 0.00 -2.06 0.00 0.00 37.83 33.42 3dlo s LYS 48 CO -0.01 0.04 1.55 -0.44 0.10 0.00 0.00 175.35 176.59 3dlo h ASP 49 N 1.44 -1.98 -0.06 0.03 5.19 -1.99 -1.39 116.42 117.67 3dlo h ASP 49 Ca -0.43 0.31 -0.08 0.00 -0.62 0.00 0.00 57.03 56.20 3dlo h ASP 49 Cb 1.25 0.88 -0.01 0.00 0.18 0.00 0.00 39.33 41.63 3dlo h ASP 49 CO 0.63 -0.28 -0.18 -0.08 -3.12 0.00 0.00 179.24 176.21 3dlo h GLU 50 N -0.09 0.44 -0.34 3.56 4.81 -1.98 0.11 114.58 121.10 3dlo h GLU 50 Ca 0.17 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3dlo h GLU 50 Cb 0.48 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 3dlo h GLU 50 CO -0.87 0.61 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.48 3dlo h ASP 51 N 0.40 -0.40 -0.45 1.04 3.32 -1.70 0.42 116.42 119.05 3dlo h ASP 51 Ca 0.07 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3dlo h ASP 51 Cb 0.56 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3dlo h ASP 51 CO 0.04 -0.14 0.20 0.40 -1.72 0.00 0.00 179.24 178.02 3dlo h ILE 52 N -0.04 1.19 -0.22 0.35 1.08 -0.79 -1.53 117.51 117.55 3dlo h ILE 52 Ca 0.17 -0.56 0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3dlo h ILE 52 Cb 0.29 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3dlo h ILE 52 CO -0.37 0.21 0.10 0.40 -0.69 0.00 0.00 178.15 177.80 3dlo h ILE 53 N 0.58 0.98 -0.49 -0.67 1.08 0.21 -2.31 117.51 116.89 3dlo h ILE 53 Ca 0.15 -0.07 -0.07 0.00 -0.39 0.00 0.00 64.86 64.48 3dlo h ILE 53 Cb 0.14 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3dlo h ILE 53 CO -0.02 0.04 0.03 -0.08 -0.69 0.00 0.00 178.15 177.44 3dlo h GLU 54 N 0.22 0.85 -0.34 2.37 4.81 -0.06 -2.32 114.58 120.12 3dlo h GLU 54 Ca 0.09 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3dlo h GLU 54 Cb 0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3dlo h GLU 54 CO -0.07 0.87 0.16 0.00 -0.73 0.00 0.00 179.01 179.24 3dlo h ALA 55 N 0.95 0.41 -0.38 2.92 0.00 -1.17 0.10 119.26 122.08 3dlo h ALA 55 Ca 0.14 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3dlo h ALA 55 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dlo h ALA 55 CO 0.02 -0.22 -0.16 -0.22 0.00 0.00 0.00 179.25 178.67 3dlo h LYS 56 N 0.33 0.70 -0.69 0.00 1.63 -1.33 -0.20 116.57 117.01 3dlo h LYS 56 Ca 0.14 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 3dlo h LYS 56 Cb 0.06 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3dlo h LYS 56 CO -0.11 0.82 0.36 1.49 -3.45 0.00 0.00 179.45 178.56 3dlo h GLU 57 N 0.63 0.98 -0.28 1.90 4.57 -1.14 -0.96 114.58 120.28 3dlo h GLU 57 Ca 0.10 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3dlo h GLU 57 Cb 0.62 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3dlo h GLU 57 CO 0.04 0.76 0.17 1.15 -1.18 0.00 0.00 179.01 179.95 3dlo h THR 58 N 0.96 1.10 -0.61 0.32 2.02 -0.14 -1.07 112.91 115.49 3dlo h THR 58 Ca 0.24 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3dlo h THR 58 Cb 0.08 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3dlo h THR 58 CO -0.03 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.89 3dlo h LEU 59 N 0.36 1.05 -0.37 2.58 3.38 -0.93 -0.32 115.31 121.06 3dlo h LEU 59 Ca 0.10 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3dlo h LEU 59 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3dlo h LEU 59 CO -0.02 1.09 -0.00 -1.28 0.09 0.00 0.00 178.44 178.32 3dlo h SER 60 N 0.98 0.64 -0.28 -0.43 0.87 -0.98 0.80 113.55 115.15 3dlo h SER 60 Ca 0.17 -0.31 0.05 0.00 -1.23 0.00 0.00 61.79 60.47 3dlo h SER 60 Cb 0.56 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 3dlo h SER 60 CO 0.03 0.79 -0.00 -0.25 -0.53 0.00 0.00 176.83 176.87 3dlo h TRP 61 N 0.47 -0.02 -0.25 2.24 7.01 -1.08 -2.33 115.95 121.99 3dlo h TRP 61 Ca 0.10 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 3dlo h TRP 61 Cb 0.47 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 3dlo h TRP 61 CO 0.04 -0.05 0.05 0.00 -2.79 0.00 0.00 178.44 175.69 3dlo h ALA 62 N 1.24 0.33 -0.88 2.65 0.00 -0.79 -2.27 119.26 119.54 3dlo h ALA 62 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3dlo h ALA 62 Cb 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3dlo h ALA 62 CO -0.23 -0.01 0.58 0.28 0.00 0.00 0.00 179.25 179.87 3dlo h VAL 63 N 0.22 1.21 -0.44 0.00 2.07 -0.85 -2.31 116.25 116.15 3dlo h VAL 63 Ca 0.08 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3dlo h VAL 63 Cb 0.30 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 3dlo h VAL 63 CO 0.00 0.21 0.18 0.77 0.02 0.00 0.00 177.57 178.75 3dlo h SER 64 N 1.17 0.56 -0.15 0.57 4.64 -0.97 -1.78 113.55 117.59 3dlo h SER 64 Ca 0.33 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3dlo h SER 64 Cb -0.11 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 3dlo h SER 64 CO -0.08 0.51 0.07 0.40 -0.87 0.00 0.00 176.83 176.87 3dlo h ILE 65 N 0.62 1.13 -0.42 0.95 2.04 -0.92 -0.43 117.51 120.49 3dlo h ILE 65 Ca 0.15 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.72 3dlo h ILE 65 Cb 0.12 1.11 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 3dlo h ILE 65 CO -0.02 0.12 -0.16 0.40 0.00 0.00 0.00 178.15 178.50 3dlo h ILE 66 N 0.11 0.48 -0.56 -0.67 2.04 -1.13 -1.92 117.51 115.87 3dlo h ILE 66 Ca 0.05 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 3dlo h ILE 66 Cb 0.13 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3dlo h ILE 66 CO -0.01 0.00 0.08 0.03 0.00 0.00 0.00 178.15 178.25 3dlo h ARG 67 N -0.07 0.93 -0.82 2.37 3.08 -1.15 -1.54 114.38 117.19 3dlo h ARG 67 Ca 0.20 -0.26 0.20 0.00 0.07 0.00 0.00 59.98 60.20 3dlo h ARG 67 Cb 0.38 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3dlo h ARG 67 CO -0.47 0.90 0.56 0.87 -1.07 0.00 0.00 179.97 180.77 3dlo h LYS 68 N 0.83 0.23 -0.02 0.04 1.57 -0.78 0.50 116.57 118.94 3dlo h LYS 68 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3dlo h LYS 68 Cb 0.43 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3dlo h LYS 68 CO 0.01 0.16 0.00 0.39 -0.57 0.00 0.00 179.45 179.44 3dlo n GLU 69 N -4.42 1.15 -2.85 3.15 -0.58 -0.61 -4.90 120.64 111.57 3dlo n GLU 69 Ca 0.17 -0.22 -0.10 0.00 -0.42 0.00 0.00 57.16 56.59 3dlo n GLU 69 Cb 0.72 -1.42 0.03 0.00 -0.57 0.00 0.00 31.44 30.20 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 0.97 0.26 3.54 0.62 0.00 0.17 -4.89 105.19 105.85 3dlo n GLY 70 Ca 0.20 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.03 2.86 0.13 4.61 0.00 -0.98 -4.73 121.76 120.62 3dlo s ALA 71 Ca 0.22 -1.54 -0.25 0.00 0.00 0.00 0.00 51.96 50.39 3dlo s ALA 71 Cb -0.09 -0.63 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 3dlo s ALA 71 CO 0.27 0.44 0.75 -1.21 0.00 0.00 0.00 175.76 176.01 3dlo s GLU 72 N -2.88 4.52 -0.01 0.00 2.02 -1.26 -3.81 118.70 117.28 3dlo s GLU 72 Ca 0.25 1.10 -0.01 0.00 0.02 0.00 0.00 54.97 56.32 3dlo s GLU 72 Cb -0.08 -3.28 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 3dlo s GLU 72 CO 0.14 0.52 0.02 0.20 0.02 0.00 0.00 175.26 176.17 3dlo s GLY 73 N -0.93 0.01 0.10 -1.39 0.00 -1.26 -0.14 107.32 103.70 3dlo s GLY 73 Ca 0.36 -0.01 0.09 0.00 0.00 0.00 0.00 44.72 45.16 3dlo s GLY 73 CO 0.25 -0.03 -0.24 -0.54 0.00 0.00 0.00 173.10 172.54 3dlo s GLU 74 N -0.20 1.38 0.15 2.90 2.02 -0.08 -4.95 118.70 119.91 3dlo s GLU 74 Ca -0.02 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.70 3dlo s GLU 74 Cb -0.02 -1.71 -0.06 0.00 0.10 0.00 0.00 34.13 32.45 3dlo s GLU 74 CO -0.00 0.41 0.40 -1.83 0.02 0.00 0.00 175.26 174.27 3dlo s GLU 75 N -1.77 3.66 -0.30 1.61 -1.05 -1.26 -1.01 118.70 118.58 3dlo s GLU 75 Ca 0.10 0.00 -0.02 0.00 -0.15 0.00 0.00 54.97 54.91 3dlo s GLU 75 Cb -0.10 -2.84 0.12 0.00 -0.44 0.00 0.00 34.13 30.87 3dlo s GLU 75 CO 0.04 0.46 0.22 -1.01 0.95 0.00 0.00 175.26 175.93 3dlo s HIS 76 N -1.64 0.00 -0.03 4.83 3.76 -0.11 -4.90 115.29 117.20 3dlo s HIS 76 Ca 0.41 -0.68 -0.25 0.00 -0.15 0.00 0.00 55.06 54.38 3dlo s HIS 76 Cb -0.12 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 3dlo s HIS 76 CO 0.23 -0.88 0.79 -1.17 -0.85 0.00 0.00 174.74 172.86 3dlo s LEU 77 N 2.04 4.35 -0.27 0.89 2.96 -1.26 -2.80 118.68 124.58 3dlo s LEU 77 Ca 0.11 1.36 -0.06 0.00 -0.22 0.00 0.00 54.13 55.32 3dlo s LEU 77 Cb -0.16 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3dlo s LEU 77 CO -0.29 -0.13 0.04 -0.76 -1.32 0.00 0.00 176.35 173.89 3dlo s LEU 78 N 0.71 3.55 -0.41 -0.68 1.43 -0.39 -4.96 118.68 117.93 3dlo s LEU 78 Ca 0.42 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3dlo s LEU 78 Cb -0.19 -1.83 0.11 0.00 0.03 0.00 0.00 46.19 44.31 3dlo s LEU 78 CO 0.22 -0.14 0.15 -0.69 0.23 0.00 0.00 176.35 176.12 3dlo s VAL 79 N 1.48 2.11 -0.00 -1.59 1.01 -1.26 0.72 120.40 122.87 3dlo s VAL 79 Ca 0.03 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.41 3dlo s VAL 79 Cb -0.16 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3dlo s VAL 79 CO 0.01 -0.71 0.60 0.54 0.00 0.00 0.00 175.10 175.53 3dlo n ARG 80 N 3.84 0.55 -1.13 2.72 1.74 -1.25 -4.97 116.66 118.15 3dlo n ARG 80 Ca 0.04 -0.69 -0.05 0.00 -0.77 0.00 0.00 57.85 56.38 3dlo n ARG 80 Cb 0.38 -0.59 -0.02 0.00 -1.02 0.00 0.00 32.46 31.20 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 0.73 3.64 -0.13 0.00 -0.51 -5.03 105.19 103.79 3dlo n GLY 81 Ca 0.00 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.17 2.15 0.47 1.61 1.02 -1.26 -5.01 119.74 116.55 3dlo s LYS 82 Ca 0.00 -1.63 -0.20 0.00 0.02 0.00 0.00 55.97 54.16 3dlo s LYS 82 Cb 0.00 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 3dlo s LYS 82 CO 0.00 0.21 1.00 -1.21 -0.92 0.00 0.00 175.35 174.43 3dlo s GLU 83 N -3.71 3.98 0.19 1.68 0.41 -1.26 -4.28 118.70 115.71 3dlo s GLU 83 Ca 0.34 1.23 -0.13 0.00 -0.41 0.00 0.00 54.97 56.00 3dlo s GLU 83 Cb -0.03 -2.13 0.19 0.00 -1.78 0.00 0.00 34.13 30.38 3dlo s GLU 83 CO 0.20 -0.26 1.70 -1.35 -0.49 0.00 0.00 175.26 175.05 3dlo h PRO 84 N 1.65 0.16 -0.79 0.39 0.11 -1.94 -0.68 132.00 130.90 3dlo h PRO 84 Ca -0.49 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3dlo h PRO 84 Cb 1.20 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3dlo h PRO 84 CO 0.60 0.11 0.51 -1.35 -0.21 0.00 0.00 178.00 177.65 3dlo h PRO 85 N 0.16 0.97 -0.65 1.05 0.11 -1.93 0.70 132.00 132.41 3dlo h PRO 85 Ca 0.25 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 3dlo h PRO 85 Cb 0.36 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3dlo h PRO 85 CO -0.38 0.64 0.06 -0.44 -0.21 0.00 0.00 178.00 177.68 3dlo h ASP 86 N 1.00 1.06 -0.21 -2.05 3.32 -1.79 -0.97 116.42 116.79 3dlo h ASP 86 Ca 0.31 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3dlo h ASP 86 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3dlo h ASP 86 CO -0.10 1.07 0.11 -0.78 -1.72 0.00 0.00 179.24 177.82 3dlo h ASP 87 N 1.01 0.16 -0.26 6.45 3.58 0.07 0.17 116.42 127.61 3dlo h ASP 87 Ca 0.19 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 3dlo h ASP 87 Cb 0.49 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 3dlo h ASP 87 CO 0.02 0.12 -0.01 0.40 -2.88 0.00 0.00 179.24 176.90 3dlo h ILE 88 N 0.23 1.26 -0.77 2.25 2.04 -0.75 -0.66 117.51 121.11 3dlo h ILE 88 Ca 0.08 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3dlo h ILE 88 Cb 0.01 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3dlo h ILE 88 CO -0.05 0.30 0.34 0.58 0.00 0.00 0.00 178.15 179.31 3dlo h VAL 89 N 0.25 1.25 -0.32 1.67 2.07 -1.03 -1.37 116.25 118.77 3dlo h VAL 89 Ca 0.07 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 3dlo h VAL 89 Cb 0.44 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3dlo h VAL 89 CO 0.02 0.31 -0.13 0.44 0.02 0.00 0.00 177.57 178.23 3dlo h ASP 90 N 1.10 0.66 -0.26 0.57 3.32 -0.52 -2.67 116.42 118.62 3dlo h ASP 90 Ca 0.26 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.96 3dlo h ASP 90 Cb 0.16 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3dlo h ASP 90 CO -0.03 0.91 0.01 0.15 -1.72 0.00 0.00 179.24 178.56 3dlo h PHE 91 N 0.41 0.02 -0.58 4.55 3.57 -0.87 0.27 116.94 124.30 3dlo h PHE 91 Ca 0.07 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.71 3dlo h PHE 91 Cb 0.64 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.32 3dlo h PHE 91 CO 0.06 -0.02 0.04 0.00 -2.23 0.00 0.00 178.31 176.15 3dlo h ALA 92 N 1.21 0.60 -0.53 2.41 0.00 -1.24 -1.06 119.26 120.66 3dlo h ALA 92 Ca 0.12 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3dlo h ALA 92 Cb 0.15 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3dlo h ALA 92 CO -0.19 -0.37 -0.05 -0.44 0.00 0.00 0.00 179.25 178.20 3dlo h ASP 93 N 0.15 0.93 -0.46 0.00 3.32 -1.00 -0.80 116.42 118.56 3dlo h ASP 93 Ca 0.30 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3dlo h ASP 93 Cb 0.47 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3dlo h ASP 93 CO -0.46 1.02 0.17 -0.33 -1.72 0.00 0.00 179.24 177.91 3dlo h GLU 94 N 0.86 0.76 -0.47 3.56 5.08 0.70 -2.62 114.58 122.45 3dlo h GLU 94 Ca 0.15 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3dlo h GLU 94 Cb 0.57 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3dlo h GLU 94 CO 0.03 0.65 0.00 1.33 -1.00 0.00 0.00 179.01 180.03 3dlo n VAL 95 N -4.32 0.62 -3.62 3.13 0.24 -0.53 -4.97 118.33 108.89 3dlo n VAL 95 Ca 0.04 -0.73 -0.20 0.00 -2.04 0.00 0.00 64.34 61.41 3dlo n VAL 95 Cb 0.18 0.62 0.05 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.25 -1.52 -4.75 -1.34 2.03 -0.88 -4.37 116.55 106.98 3dlo n ASP 96 Ca 0.20 -0.76 -0.38 0.00 0.52 0.00 0.00 54.79 54.37 3dlo n ASP 96 Cb 0.53 -4.39 0.04 0.00 -0.72 0.00 0.00 41.12 36.58 3dlo n ASP 96 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dlo s ALA 97 N -3.57 2.71 0.22 -1.67 0.00 -0.36 -4.21 121.76 114.88 3dlo s ALA 97 Ca 0.02 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3dlo s ALA 97 Cb -0.01 -3.55 0.19 0.00 0.00 0.00 0.00 23.12 19.75 3dlo s ALA 97 CO 0.79 -1.39 1.54 0.82 0.00 0.00 0.00 175.76 177.52 3dlo h ILE 98 N 1.22 1.34 -2.19 0.00 2.04 -1.12 -3.47 117.51 115.33 3dlo h ILE 98 Ca -0.51 -1.82 0.17 0.00 1.00 0.00 0.00 64.86 63.70 3dlo h ILE 98 Cb 1.31 1.83 -0.12 0.00 -0.74 0.00 0.00 36.82 39.10 3dlo h ILE 98 CO 0.56 0.56 0.54 0.00 0.00 0.00 0.00 178.15 179.80 3dlo s ALA 99 N -3.94 -1.80 -0.10 1.87 0.00 -1.26 -4.25 121.76 112.28 3dlo s ALA 99 Ca -0.06 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 3dlo s ALA 99 Cb 0.12 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 3dlo s ALA 99 CO 0.82 -0.87 -0.07 0.42 0.00 0.00 0.00 175.76 176.06 3dlo s ILE 100 N -3.10 3.63 -0.08 0.00 1.01 0.10 -1.24 121.20 121.53 3dlo s ILE 100 Ca 0.09 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3dlo s ILE 100 Cb -0.01 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3dlo s ILE 100 CO -0.03 0.56 -0.16 -0.69 0.00 0.00 0.00 174.94 174.62 3dlo s VAL 101 N -0.34 2.85 -0.04 2.92 1.01 0.60 0.58 120.40 127.98 3dlo s VAL 101 Ca 0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3dlo s VAL 101 Cb -0.12 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3dlo s VAL 101 CO 0.02 0.56 0.20 -0.51 0.00 0.00 0.00 175.10 175.38 3dlo s ILE 102 N -0.22 0.04 0.34 2.22 2.07 -0.19 -1.87 121.20 123.59 3dlo s ILE 102 Ca 0.00 -0.36 -0.26 0.00 -1.41 0.00 0.00 60.65 58.62 3dlo s ILE 102 Cb -0.13 -0.41 -0.10 0.00 0.13 0.00 0.00 42.46 41.95 3dlo s ILE 102 CO 0.03 -0.20 0.96 -0.83 -1.91 0.00 0.00 174.94 173.00 3dlo s GLY 103 N -0.74 2.77 -0.18 1.50 0.00 -1.26 -1.57 107.32 107.83 3dlo s GLY 103 Ca -0.08 0.55 -0.02 0.00 0.00 0.00 0.00 44.72 45.17 3dlo s GLY 103 CO 0.02 0.99 -0.09 -0.42 0.00 0.00 0.00 173.10 173.59 3dlo s ILE 104 N -1.65 3.13 0.23 0.90 -1.09 0.56 -4.77 121.20 118.52 3dlo s ILE 104 Ca 0.52 -0.59 -0.06 0.00 -2.23 0.00 0.00 60.65 58.29 3dlo s ILE 104 Cb -0.19 -2.38 0.17 0.00 -1.58 0.00 0.00 42.46 38.48 3dlo s ILE 104 CO 0.24 0.47 1.80 0.03 -1.23 0.00 0.00 174.94 176.26 3dlo h ARG 105 N 7.59 1.12 0.00 2.79 3.08 -1.45 -3.41 114.38 124.10 3dlo h ARG 105 Ca -0.37 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.49 3dlo h ARG 105 Cb 1.18 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3dlo h ARG 105 CO 0.59 0.91 0.00 1.17 -1.07 0.00 0.00 179.97 181.57 3dlo n LYS 106 N -4.28 0.00 -4.44 0.04 4.81 -0.04 -4.87 118.16 109.37 3dlo n LYS 106 Ca 0.07 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.30 3dlo n LYS 106 Cb 0.18 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.08 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 1.00 0.78 1.64 0.52 -1.26 -0.30 118.95 121.33 3dlo s ARG 107 Ca 0.00 -0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 54.75 3dlo s ARG 107 Cb 0.00 -0.94 0.06 0.00 0.52 0.00 0.00 34.95 34.59 3dlo s ARG 107 CO 0.00 0.15 1.12 -1.54 0.02 0.00 0.00 175.30 175.05 3dlo s SER 108 N 0.07 4.73 0.54 0.23 1.04 -0.29 -4.84 113.70 115.18 3dlo s SER 108 Ca -0.01 1.11 0.42 0.00 0.48 0.00 0.00 55.95 57.95 3dlo s SER 108 Cb -0.08 -1.81 1.62 0.00 0.10 0.00 0.00 66.02 65.86 3dlo s SER 108 CO 0.00 -1.80 1.69 -0.65 0.98 0.00 0.00 173.24 173.47 3dlo h PRO 109 N -0.97 0.01 -0.56 4.02 0.11 -2.01 0.15 132.00 132.76 3dlo h PRO 109 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dlo h PRO 109 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dlo h PRO 109 CO 0.62 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 3dlo n THR 110 N -4.11 2.17 -0.71 -1.15 -2.24 -1.26 -4.96 114.28 102.01 3dlo n THR 110 Ca 0.35 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 3dlo n THR 110 Cb 1.60 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.71 0.82 3.78 3.38 0.00 0.54 -5.03 105.19 109.39 3dlo n GLY 111 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.29 3.52 -0.26 1.61 -0.14 -1.26 -4.66 119.74 118.25 3dlo s LYS 112 Ca 0.00 1.58 -0.28 0.00 -1.36 0.00 0.00 55.97 55.92 3dlo s LYS 112 Cb 0.00 -2.09 0.01 0.00 -1.68 0.00 0.00 37.83 34.07 3dlo s LYS 112 CO 0.00 -0.71 0.99 -0.51 -0.76 0.00 0.00 175.35 174.36 3dlo s LEU 113 N -3.60 4.05 0.03 3.17 1.43 -1.26 -1.14 118.68 121.37 3dlo s LEU 113 Ca 0.70 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 3dlo s LEU 113 Cb -0.23 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3dlo s LEU 113 CO 0.27 -0.69 -0.07 0.27 0.23 0.00 0.00 176.35 176.36 3dlo s ILE 114 N 3.23 0.45 0.10 -0.59 -4.36 0.58 -4.95 121.20 115.66 3dlo s ILE 114 Ca 0.42 -0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 59.80 3dlo s ILE 114 Cb -0.14 -0.50 -0.17 0.00 1.25 0.00 0.00 42.46 42.90 3dlo s ILE 114 CO 0.09 -0.31 1.29 -0.26 0.24 0.00 0.00 174.94 176.00 3dlo h PHE 115 N 4.80 1.02 0.00 1.37 0.04 -1.95 -0.06 116.94 122.17 3dlo h PHE 115 Ca -0.34 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 59.96 3dlo h PHE 115 Cb 1.20 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3dlo h PHE 115 CO 0.60 1.31 0.00 0.41 -0.60 0.00 0.00 178.31 180.03 3dlo n GLY 116 N 0.77 1.56 0.18 -1.45 0.00 -1.26 -1.54 105.19 103.45 3dlo n GLY 116 Ca -0.08 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.03 1.61 4.64 -1.99 -0.21 113.55 117.64 3dlo h SER 117 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dlo h SER 117 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dlo h SER 117 CO 0.00 0.41 -0.02 0.58 -0.87 0.00 0.00 176.83 176.94 3dlo h VAL 118 N 0.00 1.34 -0.75 0.95 2.07 -1.99 -3.02 116.25 114.85 3dlo h VAL 118 Ca -0.00 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.31 3dlo h VAL 118 Cb 0.81 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.69 3dlo h VAL 118 CO 0.05 0.31 0.47 0.00 0.02 0.00 0.00 177.57 178.42 3dlo h ALA 119 N 0.34 0.99 -0.33 1.67 0.00 -1.76 -1.04 119.26 119.12 3dlo h ALA 119 Ca -0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3dlo h ALA 119 Cb 0.54 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3dlo h ALA 119 CO 0.01 0.23 -0.07 -0.09 0.00 0.00 0.00 179.25 179.33 3dlo h ARG 120 N 0.89 0.01 0.00 0.00 2.43 -1.06 -1.08 114.38 115.57 3dlo h ARG 120 Ca 0.31 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.35 3dlo h ARG 120 Cb 0.06 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3dlo h ARG 120 CO -0.13 0.01 -0.85 -0.44 -1.51 0.00 0.00 179.97 177.05 3dlo h ASP 121 N 0.02 0.00 -0.54 -3.80 3.32 -1.30 -3.04 116.42 111.08 3dlo h ASP 121 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3dlo h ASP 121 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3dlo h ASP 121 CO -0.33 0.55 0.29 0.58 -1.72 0.00 0.00 179.24 178.61 3dlo h VAL 122 N 0.00 1.18 -0.98 -1.35 2.07 -0.89 -0.54 116.25 115.75 3dlo h VAL 122 Ca -0.06 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.06 3dlo h VAL 122 Cb 1.47 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3dlo h VAL 122 CO 0.06 0.20 0.63 0.40 0.02 0.00 0.00 177.57 178.88 3dlo h ILE 123 N 0.72 1.08 0.11 4.57 2.04 -1.09 0.14 117.51 125.08 3dlo h ILE 123 Ca 0.19 -0.39 -0.29 0.00 1.00 0.00 0.00 64.86 65.37 3dlo h ILE 123 Cb 0.05 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 35.97 3dlo h ILE 123 CO -0.03 0.21 -1.44 -0.07 0.00 0.00 0.00 178.15 176.82 3dlo h LEU 124 N 1.14 0.36 0.00 1.44 3.38 -1.44 -3.35 115.31 116.84 3dlo h LEU 124 Ca 0.42 -0.47 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3dlo h LEU 124 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dlo h LEU 124 CO -0.17 1.38 -1.36 0.29 0.09 0.00 0.00 178.44 178.67 3dlo n LYS 125 N -3.45 0.62 -1.68 1.13 5.02 -0.22 -4.96 118.16 114.62 3dlo n LYS 125 Ca -0.13 0.21 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 3dlo n LYS 125 Cb 1.03 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 3dlo n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dlo n ALA 126 N -2.37 1.00 0.30 7.82 0.00 0.48 -4.91 120.51 122.84 3dlo n ALA 126 Ca -0.08 0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.68 3dlo n ALA 126 Cb 0.80 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3dlo n ALA 126 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dlo n ASN 127 N -0.00 0.63 -4.99 0.00 3.02 -1.26 -4.97 115.26 107.68 3dlo n ASN 127 Ca 0.08 0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.51 3dlo n ASN 127 Cb 0.41 0.75 0.01 0.00 -0.61 0.00 0.00 39.78 40.34 3dlo n ASN 127 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dlo s LYS 128 N -3.30 2.90 0.46 3.52 -0.14 -1.26 -5.05 119.74 116.87 3dlo s LYS 128 Ca 0.01 -0.98 -0.25 0.00 -1.36 0.00 0.00 55.97 53.39 3dlo s LYS 128 Cb 0.12 -2.70 -0.08 0.00 -1.68 0.00 0.00 37.83 33.50 3dlo s LYS 128 CO 0.80 -0.25 1.39 -2.14 -0.76 0.00 0.00 175.35 174.39 3dlo s PRO 129 N -4.40 3.63 -0.19 -1.68 0.02 -1.26 -4.81 135.00 126.30 3dlo s PRO 129 Ca 0.51 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.85 3dlo s PRO 129 Cb -0.10 -2.59 0.01 0.00 0.02 0.00 0.00 34.50 31.84 3dlo s PRO 129 CO 0.34 -0.83 -0.13 0.08 -0.33 0.00 0.00 177.00 176.12 3dlo s VAL 130 N -1.24 2.62 -0.26 3.83 1.01 -1.26 -0.72 120.40 124.39 3dlo s VAL 130 Ca 0.62 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3dlo s VAL 130 Cb -0.42 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3dlo s VAL 130 CO 0.53 0.49 0.14 -0.63 0.00 0.00 0.00 175.10 175.63 3dlo s ILE 131 N 1.34 4.95 -0.25 2.22 1.01 0.20 -4.96 121.20 125.69 3dlo s ILE 131 Ca 0.05 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 3dlo s ILE 131 Cb -0.14 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 3dlo s ILE 131 CO -0.08 0.31 0.02 0.00 0.00 0.00 0.00 174.94 175.19 3dlo s ILE 133 N 1.50 2.77 -2.25 0.00 -1.09 -0.61 -4.91 121.20 116.62 3dlo s ILE 133 Ca 0.04 -0.81 0.18 0.00 -2.23 0.00 0.00 60.65 57.84 3dlo s ILE 133 Cb -0.16 -2.09 0.14 0.00 -1.58 0.00 0.00 42.46 38.78 3dlo s ILE 133 CO 0.00 0.57 1.07 0.29 -1.23 0.00 0.00 174.94 175.64