#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a s ILE 3 N 0.00 2.92 -0.10 0.52 -4.36 -1.26 -4.89 121.20 114.03 3d5a s ILE 3 Ca 0.00 0.42 -0.31 0.00 -0.26 0.00 0.00 60.65 60.50 3d5a s ILE 3 Cb 0.00 -3.27 -0.09 0.00 1.25 0.00 0.00 42.46 40.36 3d5a s ILE 3 CO 0.00 0.00 2.05 0.35 0.24 0.00 0.00 174.94 177.58 3d5a n THR 4 N 4.66 0.55 -0.16 8.37 -2.24 -1.26 -4.82 114.28 119.38 3d5a n THR 4 Ca 0.16 -0.24 0.20 0.00 -2.27 0.00 0.00 64.05 61.89 3d5a n THR 4 Cb 0.40 -2.24 0.58 0.00 -2.10 0.00 0.00 70.33 66.96 3d5a n THR 4 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3d5a h LYS 5 N 11.87 0.26 -0.06 -0.78 -0.00 -1.99 0.15 116.57 126.03 3d5a h LYS 5 Ca -0.45 -0.02 0.03 0.00 -0.00 0.00 0.00 60.65 60.21 3d5a h LYS 5 Cb 1.25 -0.06 -0.03 0.00 -0.00 0.00 0.00 32.23 33.40 3d5a h LYS 5 CO 0.96 0.17 -0.10 1.49 -0.00 0.00 0.00 179.45 181.96 3d5a h GLU 6 N 0.27 -0.15 0.00 0.07 4.81 -2.02 -2.38 114.58 115.18 3d5a h GLU 6 Ca 0.39 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.55 3d5a h GLU 6 Cb 1.12 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3d5a h GLU 6 CO -0.10 -0.10 -0.38 1.49 -0.73 0.00 0.00 179.01 179.20 3d5a h GLU 7 N -0.15 0.00 -0.24 1.92 4.81 -1.50 -3.06 114.58 116.36 3d5a h GLU 7 Ca 0.06 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3d5a h GLU 7 Cb 0.23 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3d5a h GLU 7 CO -0.15 0.38 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.14 3d5a h LYS 8 N 0.00 -0.13 -0.42 1.92 3.64 -0.26 0.39 116.57 121.71 3d5a h LYS 8 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3d5a h LYS 8 Cb 1.11 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3d5a h LYS 8 CO 0.05 -0.08 -0.07 1.96 -2.27 0.00 0.00 179.45 179.03 3d5a h GLN 9 N -0.13 0.73 -0.93 1.90 1.08 -1.54 -2.13 115.11 114.09 3d5a h GLN 9 Ca 0.13 -0.22 0.08 0.00 -1.45 0.00 0.00 58.65 57.19 3d5a h GLN 9 Cb 0.33 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 3d5a h GLN 9 CO -0.32 0.79 0.60 -0.22 -0.95 0.00 0.00 178.83 178.73 3d5a h LYS 10 N 0.67 0.99 -0.31 1.46 3.64 -0.94 0.38 116.57 122.45 3d5a h LYS 10 Ca 0.12 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3d5a h LYS 10 Cb 0.52 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3d5a h LYS 10 CO 0.03 0.65 -0.10 0.28 -2.27 0.00 0.00 179.45 178.04 3d5a h VAL 11 N 1.01 1.28 -0.43 2.00 2.07 0.09 0.98 116.25 123.26 3d5a h VAL 11 Ca 0.41 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3d5a h VAL 11 Cb 0.27 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3d5a h VAL 11 CO -0.17 0.37 0.15 0.40 0.02 0.00 0.00 177.57 178.35 3d5a h ILE 12 N 0.38 0.86 -0.12 4.57 2.04 -0.58 0.12 117.51 124.78 3d5a h ILE 12 Ca 0.08 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3d5a h ILE 12 Cb 0.60 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3d5a h ILE 12 CO 0.04 0.06 0.07 1.56 0.00 0.00 0.00 178.15 179.88 3d5a h GLN 13 N 0.32 0.15 0.00 2.37 1.08 -0.13 -2.47 115.11 116.42 3d5a h GLN 13 Ca 0.20 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3d5a h GLN 13 Cb 0.20 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3d5a h GLN 13 CO -0.21 0.10 -0.02 0.93 -0.95 0.00 0.00 178.83 178.68 3d5a h GLU 14 N 0.15 0.00 -2.62 1.46 4.39 -0.12 -3.33 114.58 114.51 3d5a h GLU 14 Ca 0.04 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.15 3d5a h GLU 14 Cb -0.01 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.24 3d5a h GLU 14 CO -0.01 0.02 -0.84 -0.06 -1.16 0.00 0.00 179.01 176.96 3d5a s PHE 15 N -4.11 1.79 0.09 4.33 0.40 0.37 -5.07 117.98 115.79 3d5a s PHE 15 Ca -0.03 -2.56 -0.26 0.00 -0.60 0.00 0.00 56.93 53.49 3d5a s PHE 15 Cb 0.12 -1.47 0.08 0.00 0.51 0.00 0.00 43.02 42.26 3d5a s PHE 15 CO 0.49 -0.75 0.71 0.00 0.70 0.00 0.00 175.22 176.37 3d5a s ALA 16 N -0.25 -1.69 -2.77 5.36 0.00 -1.21 -4.06 121.76 117.14 3d5a s ALA 16 Ca 0.28 0.73 0.24 0.00 0.00 0.00 0.00 51.96 53.22 3d5a s ALA 16 Cb -0.03 0.65 0.29 0.00 0.00 0.00 0.00 23.12 24.04 3d5a s ALA 16 CO -0.16 -0.71 1.32 2.89 0.00 0.00 0.00 175.76 179.10 3d5a n ARG 17 N -0.25 2.42 -3.61 0.00 0.00 -1.26 -4.99 116.66 108.97 3d5a n ARG 17 Ca -0.14 -2.10 -0.05 0.00 -0.00 0.00 0.00 57.85 55.57 3d5a n ARG 17 Cb 0.63 -1.49 -0.03 0.00 -0.00 0.00 0.00 32.46 31.58 3d5a n ARG 17 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 3d5a s PHE 18 N -1.78 -0.13 0.43 2.89 -0.12 -1.26 -5.13 117.98 112.88 3d5a s PHE 18 Ca 0.33 0.16 -0.24 0.00 -0.05 0.00 0.00 56.93 57.13 3d5a s PHE 18 Cb 0.21 0.50 -0.11 0.00 -0.63 0.00 0.00 43.02 42.99 3d5a s PHE 18 CO 0.31 -0.17 0.92 -2.30 -0.05 0.00 0.00 175.22 173.93 3d5a n PRO 19 N 0.23 1.17 0.00 1.99 -0.02 -1.26 -3.49 135.00 133.61 3d5a n PRO 19 Ca -0.01 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3d5a n PRO 19 Cb 0.58 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3d5a n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d5a n GLY 20 N 1.31 1.82 3.56 -1.23 0.00 -1.26 -4.89 105.19 104.50 3d5a n GLY 20 Ca 0.10 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3d5a n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d5a n ASP 21 N 5.27 0.15 -2.72 1.61 4.64 -1.23 -4.71 116.55 119.56 3d5a n ASP 21 Ca 0.00 -0.79 -0.26 0.00 -1.38 0.00 0.00 54.79 52.36 3d5a n ASP 21 Cb 0.00 -0.99 -0.09 0.00 -1.04 0.00 0.00 41.12 39.00 3d5a n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3d5a n THR 22 N -3.09 3.65 0.00 5.18 -2.24 -1.26 -4.54 114.28 111.98 3d5a n THR 22 Ca -0.13 -2.05 0.00 0.00 -2.27 0.00 0.00 64.05 59.60 3d5a n THR 22 Cb 0.39 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 3d5a n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d5a n GLY 23 N 3.10 2.64 3.62 3.38 0.00 -1.26 -5.12 105.19 111.55 3d5a n GLY 23 Ca 0.61 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.61 3d5a n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d5a s SER 24 N 0.00 -0.16 0.19 1.61 0.15 -1.26 -4.98 113.70 109.25 3d5a s SER 24 Ca 0.00 0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.62 3d5a s SER 24 Cb 0.00 0.14 0.12 0.00 -1.71 0.00 0.00 66.02 64.57 3d5a s SER 24 CO 0.00 -0.13 1.58 0.71 1.20 0.00 0.00 173.24 176.60 3d5a h THR 25 N 2.32 0.14 -0.14 6.45 1.35 -1.99 0.69 112.91 121.73 3d5a h THR 25 Ca -0.13 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.78 3d5a h THR 25 Cb 1.18 0.14 -0.06 0.00 -1.73 0.00 0.00 68.15 67.68 3d5a h THR 25 CO 0.24 0.00 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.85 3d5a h GLU 26 N -0.16 -0.39 0.56 4.72 4.39 -1.96 -1.08 114.58 120.65 3d5a h GLU 26 Ca 0.23 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 3d5a h GLU 26 Cb 0.56 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3d5a h GLU 26 CO -0.70 -0.26 -0.38 0.28 -1.16 0.00 0.00 179.01 176.78 3d5a h VAL 27 N -0.40 0.00 -0.88 3.13 2.07 -1.20 -2.40 116.25 116.57 3d5a h VAL 27 Ca 0.10 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.84 3d5a h VAL 27 Cb 0.55 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.19 3d5a h VAL 27 CO -0.36 0.00 0.32 1.56 0.02 0.00 0.00 177.57 179.11 3d5a h GLN 28 N -0.90 0.30 0.88 1.57 4.20 0.42 0.25 115.11 121.83 3d5a h GLN 28 Ca -0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3d5a h GLN 28 Cb 0.73 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3d5a h GLN 28 CO 0.05 0.20 -0.49 0.28 -0.67 0.00 0.00 178.83 178.20 3d5a h VAL 29 N 0.31 0.00 -0.74 -0.54 2.07 -1.06 0.18 116.25 116.46 3d5a h VAL 29 Ca 0.55 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.26 3d5a h VAL 29 Cb 1.07 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3d5a h VAL 29 CO -0.58 0.00 0.52 0.00 0.02 0.00 0.00 177.57 177.53 3d5a h ALA 30 N -1.27 2.50 0.19 1.67 0.00 -0.72 0.30 119.26 121.93 3d5a h ALA 30 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3d5a h ALA 30 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3d5a h ALA 30 CO 0.15 -0.71 -0.09 1.25 0.00 0.00 0.00 179.25 179.85 3d5a h LEU 31 N 0.14 -0.22 -1.91 0.00 5.85 0.17 -3.17 115.31 116.17 3d5a h LEU 31 Ca 0.36 0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.31 3d5a h LEU 31 Cb 1.22 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3d5a h LEU 31 CO -0.05 -0.08 0.56 -0.07 -0.34 0.00 0.00 178.44 178.46 3d5a h LEU 32 N -0.40 0.08 -0.21 2.25 3.38 -0.43 -1.51 115.31 118.47 3d5a h LEU 32 Ca -0.03 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3d5a h LEU 32 Cb 0.20 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3d5a h LEU 32 CO 0.04 0.03 -0.11 0.74 0.09 0.00 0.00 178.44 179.24 3d5a h THR 33 N 0.08 0.66 0.60 0.22 2.02 -0.96 -1.27 112.91 114.26 3d5a h THR 33 Ca 0.39 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.54 3d5a h THR 33 Cb 1.41 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3d5a h THR 33 CO -0.04 0.00 -0.29 0.25 0.37 0.00 0.00 175.52 175.82 3d5a h LEU 34 N -0.09 -0.68 -2.11 2.58 5.85 -1.24 -0.82 115.31 118.80 3d5a h LEU 34 Ca 0.11 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3d5a h LEU 34 Cb 0.26 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3d5a h LEU 34 CO -0.26 -0.42 0.17 -0.09 -0.34 0.00 0.00 178.44 177.50 3d5a h ARG 35 N -0.89 0.00 -0.07 1.25 2.43 -1.52 0.18 114.38 115.75 3d5a h ARG 35 Ca -0.08 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.87 3d5a h ARG 35 Cb 0.65 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3d5a h ARG 35 CO 0.13 0.00 -0.85 0.82 -1.51 0.00 0.00 179.97 178.57 3d5a h ILE 36 N 0.00 1.33 -0.39 1.20 2.04 -0.98 -0.94 117.51 119.77 3d5a h ILE 36 Ca 0.10 -2.17 -0.06 0.00 1.00 0.00 0.00 64.86 63.73 3d5a h ILE 36 Cb 0.44 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3d5a h ILE 36 CO -0.00 0.67 0.01 0.78 0.00 0.00 0.00 178.15 179.60 3d5a h ASN 37 N 0.38 0.68 0.07 1.72 -0.26 0.75 0.16 115.58 119.08 3d5a h ASN 37 Ca -0.07 -0.30 -0.00 0.00 -0.56 0.00 0.00 56.30 55.37 3d5a h ASN 37 Cb 1.47 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 3d5a h ASN 37 CO 0.16 0.81 -0.04 0.03 -1.06 0.00 0.00 177.43 177.34 3d5a h ARG 38 N 0.52 -0.10 -0.81 0.81 3.08 -1.05 -0.84 114.38 115.99 3d5a h ARG 38 Ca 0.11 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.33 3d5a h ARG 38 Cb 0.46 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.43 3d5a h ARG 38 CO 0.02 0.19 0.36 1.25 -1.07 0.00 0.00 179.97 180.71 3d5a h LEU 39 N -0.38 0.36 0.09 3.04 7.12 -1.13 0.52 115.31 124.93 3d5a h LEU 39 Ca -0.01 0.11 0.01 0.00 0.13 0.00 0.00 57.88 58.12 3d5a h LEU 39 Cb 0.32 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.50 3d5a h LEU 39 CO 0.02 0.12 -0.33 -1.28 -0.13 0.00 0.00 178.44 176.83 3d5a h SER 40 N 0.49 -1.00 -0.95 1.25 0.87 -0.43 -0.80 113.55 112.97 3d5a h SER 40 Ca 0.46 0.10 0.28 0.00 -1.23 0.00 0.00 61.79 61.40 3d5a h SER 40 Cb 0.73 0.37 -0.14 0.00 -0.44 0.00 0.00 62.40 62.91 3d5a h SER 40 CO -0.42 -0.36 0.43 -0.08 -0.53 0.00 0.00 176.83 175.88 3d5a h GLU 41 N -0.48 0.30 -0.54 2.24 4.57 0.52 0.12 114.58 121.31 3d5a h GLU 41 Ca -0.01 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3d5a h GLU 41 Cb 0.48 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 3d5a h GLU 41 CO -0.18 0.20 0.31 1.25 -1.18 0.00 0.00 179.01 179.41 3d5a h HIS 42 N 0.31 0.59 0.00 0.92 2.76 0.98 -2.03 115.15 118.67 3d5a h HIS 42 Ca 0.65 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.74 3d5a h HIS 42 Cb 1.39 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 3d5a h HIS 42 CO -0.12 0.33 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.33 3d5a h LEU 43 N 0.62 0.00 -0.94 0.26 3.38 0.54 -0.15 115.31 119.02 3d5a h LEU 43 Ca 0.22 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.38 3d5a h LEU 43 Cb 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 3d5a h LEU 43 CO -0.11 0.44 0.52 0.11 0.09 0.00 0.00 178.44 179.50 3d5a h LYS 44 N 0.00 0.61 0.00 1.13 6.56 -0.41 -2.65 116.57 121.81 3d5a h LYS 44 Ca -0.00 -0.04 -0.38 0.00 -1.06 0.00 0.00 60.65 59.17 3d5a h LYS 44 Cb 0.88 -0.14 -0.07 0.00 -0.57 0.00 0.00 32.23 32.33 3d5a h LYS 44 CO 0.06 0.41 -2.42 1.33 -2.06 0.00 0.00 179.45 176.77 3d5a n VAL 45 N -4.87 1.43 -3.15 0.50 0.24 -1.17 -4.66 118.33 106.66 3d5a n VAL 45 Ca 0.22 -0.75 -0.44 0.00 -2.04 0.00 0.00 64.34 61.32 3d5a n VAL 45 Cb 0.58 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3d5a n VAL 45 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3d5a n HIS 46 N -2.94 4.32 1.57 6.34 8.25 -0.08 -4.80 115.22 127.88 3d5a n HIS 46 Ca -0.38 -3.44 0.00 0.00 -0.26 0.00 0.00 57.72 53.65 3d5a n HIS 46 Cb 1.10 -1.65 0.01 0.00 1.12 0.00 0.00 29.99 30.57 3d5a n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3d5a n LYS 47 N 2.70 1.08 -0.00 -0.41 5.02 -1.12 -3.13 118.16 122.30 3d5a n LYS 47 Ca 0.27 -0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 3d5a n LYS 47 Cb 0.38 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 3d5a n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3d5a n LYS 48 N -0.27 1.98 -2.23 1.97 4.76 -1.26 -4.83 118.16 118.28 3d5a n LYS 48 Ca 0.01 -0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 3d5a n LYS 48 Cb 0.11 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 3d5a n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d5a n ASP 49 N -1.42 4.52 0.08 4.39 -0.08 -1.18 -4.74 116.55 118.11 3d5a n ASP 49 Ca -0.00 -2.90 -0.02 0.00 -1.51 0.00 0.00 54.79 50.36 3d5a n ASP 49 Cb 0.06 -1.69 0.25 0.00 2.34 0.00 0.00 41.12 42.08 3d5a n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 3d5a h HIS 50 N 6.78 0.34 -0.24 -0.67 3.86 -1.88 -2.98 115.15 120.37 3d5a h HIS 50 Ca 0.49 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.61 3d5a h HIS 50 Cb 0.76 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 3d5a h HIS 50 CO 1.41 0.59 0.10 0.45 0.86 0.00 0.00 177.93 181.34 3d5a h HIS 51 N 0.27 0.32 0.00 2.45 3.86 -2.01 0.30 115.15 120.34 3d5a h HIS 51 Ca 0.04 -0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.04 3d5a h HIS 51 Cb 0.69 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3d5a h HIS 51 CO 0.01 0.25 -0.88 0.77 0.86 0.00 0.00 177.93 178.94 3d5a h SER 52 N 0.33 0.30 -0.68 2.45 0.02 -1.93 -3.15 113.55 110.89 3d5a h SER 52 Ca 0.09 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3d5a h SER 52 Cb 0.06 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3d5a h SER 52 CO -0.01 1.04 0.44 -0.74 -1.14 0.00 0.00 176.83 176.42 3d5a h HIS 53 N 0.13 0.82 -0.82 3.45 2.76 -0.91 -1.22 115.15 119.36 3d5a h HIS 53 Ca -0.05 0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.34 3d5a h HIS 53 Cb 1.51 -0.27 -0.12 0.00 1.55 0.00 0.00 27.41 30.08 3d5a h HIS 53 CO 0.03 0.49 0.23 -0.09 -1.30 0.00 0.00 177.93 177.29 3d5a h ARG 54 N 0.87 0.26 -0.26 5.26 1.12 -1.06 0.43 114.38 121.00 3d5a h ARG 54 Ca 0.27 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 58.99 3d5a h ARG 54 Cb -0.03 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 29.87 3d5a h ARG 54 CO -0.09 0.17 -0.35 0.78 -3.11 0.00 0.00 179.97 177.38 3d5a h GLY 55 N 0.27 0.76 -0.30 2.80 0.00 -1.43 -3.17 103.07 102.00 3d5a h GLY 55 Ca 0.49 -0.83 0.07 0.00 0.00 0.00 0.00 47.33 47.06 3d5a h GLY 55 CO -0.57 0.75 -0.42 -2.00 0.00 0.00 0.00 176.54 174.30 3d5a h LEU 56 N 0.43 -1.41 -0.77 3.11 5.85 0.22 0.19 115.31 122.94 3d5a h LEU 56 Ca 0.03 0.22 0.13 0.00 0.84 0.00 0.00 57.88 59.10 3d5a h LEU 56 Cb 0.94 0.62 -0.09 0.00 0.37 0.00 0.00 40.66 42.49 3d5a h LEU 56 CO 0.08 -0.36 0.35 -0.07 -0.34 0.00 0.00 178.44 178.10 3d5a h LEU 57 N -0.31 0.38 0.71 2.25 3.38 -1.40 0.10 115.31 120.42 3d5a h LEU 57 Ca 0.14 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3d5a h LEU 57 Cb 0.58 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.38 3d5a h LEU 57 CO -0.58 0.16 -0.35 0.24 0.09 0.00 0.00 178.44 178.00 3d5a h MET 58 N 0.52 -0.93 -0.71 1.13 2.86 -0.96 0.29 114.93 117.13 3d5a h MET 58 Ca 0.41 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 58.21 3d5a h MET 58 Cb 0.58 0.21 -0.07 0.00 0.06 0.00 0.00 31.60 32.38 3d5a h MET 58 CO -0.37 -0.62 0.35 0.52 1.06 0.00 0.00 176.91 177.86 3d5a h MET 59 N -0.96 0.58 -0.02 1.72 2.86 -0.05 0.46 114.93 119.52 3d5a h MET 59 Ca -0.10 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 3d5a h MET 59 Cb 0.74 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3d5a h MET 59 CO 0.16 0.38 -0.30 0.28 1.06 0.00 0.00 176.91 178.49 3d5a h VAL 60 N 0.60 1.23 0.85 -2.22 2.07 -0.71 -1.23 116.25 116.83 3d5a h VAL 60 Ca 0.35 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3d5a h VAL 60 Cb 0.38 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3d5a h VAL 60 CO -0.27 0.31 -0.41 1.23 0.02 0.00 0.00 177.57 178.45 3d5a h GLY 61 N 0.94 -1.19 0.53 2.17 0.00 0.36 -2.28 103.07 103.61 3d5a h GLY 61 Ca 0.00 0.44 0.10 0.00 0.00 0.00 0.00 47.33 47.87 3d5a h GLY 61 CO 0.04 -0.43 0.59 -1.61 0.00 0.00 0.00 176.54 175.13 3d5a h GLN 62 N -1.19 0.94 -0.85 4.80 5.75 -0.80 0.16 115.11 123.93 3d5a h GLN 62 Ca -0.12 -0.06 0.21 0.00 -0.15 0.00 0.00 58.65 58.54 3d5a h GLN 62 Cb 0.88 -0.21 -0.15 0.00 1.07 0.00 0.00 27.48 29.07 3d5a h GLN 62 CO 0.19 0.62 0.06 -0.09 -2.65 0.00 0.00 178.83 176.97 3d5a h ARG 63 N 0.97 0.10 0.38 1.69 2.43 -1.00 0.44 114.38 119.39 3d5a h ARG 63 Ca 0.46 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.60 3d5a h ARG 63 Cb 0.39 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3d5a h ARG 63 CO -0.24 0.07 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.01 3d5a h ARG 64 N 0.11 -0.49 -0.88 0.20 2.43 -0.15 -2.75 114.38 112.85 3d5a h ARG 64 Ca 0.50 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.84 3d5a h ARG 64 Cb 0.95 0.11 -0.15 0.00 -0.42 0.00 0.00 29.97 30.47 3d5a h ARG 64 CO -0.73 -0.19 -0.32 0.54 -1.51 0.00 0.00 179.97 177.75 3d5a n ARG 65 N -5.20 -0.19 0.42 0.20 3.00 0.01 0.41 116.66 115.31 3d5a n ARG 65 Ca -0.10 1.35 -0.18 0.00 -0.01 0.00 0.00 57.85 58.91 3d5a n ARG 65 Cb 0.27 -2.01 -0.09 0.00 0.00 0.00 0.00 32.46 30.64 3d5a n ARG 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3d5a h LEU 66 N 0.00 -0.90 -0.90 0.55 4.07 -1.20 -2.34 115.31 114.59 3d5a h LEU 66 Ca 0.32 0.02 0.20 0.00 0.08 0.00 0.00 57.88 58.50 3d5a h LEU 66 Cb 0.54 0.23 -0.11 0.00 1.08 0.00 0.00 40.66 42.40 3d5a h LEU 66 CO -0.88 -0.58 0.44 -0.07 -1.08 0.00 0.00 178.44 176.27 3d5a h LEU 67 N -1.18 0.44 0.00 1.67 3.38 -0.83 0.81 115.31 119.60 3d5a h LEU 67 Ca -0.11 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d5a h LEU 67 Cb 0.83 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3d5a h LEU 67 CO 0.18 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.34 3d5a n ARG 68 N -4.96 0.00 -0.24 1.13 5.12 0.17 -0.16 116.66 117.72 3d5a n ARG 68 Ca 0.21 0.76 0.04 0.00 -1.93 0.00 0.00 57.85 56.93 3d5a n ARG 68 Cb 0.60 -1.44 0.16 0.00 -1.16 0.00 0.00 32.46 30.62 3d5a n ARG 68 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 3d5a h TYR 69 N 0.00 0.31 -0.14 -1.55 3.20 -0.63 -0.39 116.97 117.76 3d5a h TYR 69 Ca 0.00 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3d5a h TYR 69 Cb 0.00 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3d5a h TYR 69 CO -0.46 -0.04 -0.04 1.25 -1.64 0.00 0.00 178.16 177.23 3d5a h LEU 70 N 0.30 -0.15 0.08 2.82 5.85 0.10 0.17 115.31 124.49 3d5a h LEU 70 Ca 0.39 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 3d5a h LEU 70 Cb 0.63 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3d5a h LEU 70 CO -0.46 -0.06 -0.04 -0.61 -0.34 0.00 0.00 178.44 176.93 3d5a h GLN 71 N -0.01 -0.11 -0.81 1.25 4.15 0.01 0.12 115.11 119.71 3d5a h GLN 71 Ca 0.07 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.71 3d5a h GLN 71 Cb 0.12 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 3d5a h GLN 71 CO -0.15 0.24 0.57 -0.09 -1.93 0.00 0.00 178.83 177.46 3d5a h ARG 72 N -0.46 0.11 0.00 1.69 2.43 -0.89 -2.20 114.38 115.06 3d5a h ARG 72 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3d5a h ARG 72 Cb 0.39 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3d5a h ARG 72 CO 0.02 0.08 0.00 -1.91 -1.51 0.00 0.00 179.97 176.64 3d5a n GLU 73 N -4.36 0.00 -3.89 0.20 4.07 0.58 -4.80 120.64 112.44 3d5a n GLU 73 Ca 0.16 0.34 -0.30 0.00 -0.06 0.00 0.00 57.16 57.30 3d5a n GLU 73 Cb 0.80 -0.83 -0.14 0.00 -0.06 0.00 0.00 31.44 31.21 3d5a n GLU 73 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3d5a s ASP 74 N -2.59 4.16 0.00 4.31 3.68 0.38 -4.94 116.67 121.66 3d5a s ASP 74 Ca 0.00 -2.82 0.03 0.00 2.13 0.00 0.00 52.55 51.88 3d5a s ASP 74 Cb 0.00 -1.46 0.13 0.00 -1.45 0.00 0.00 42.92 40.14 3d5a s ASP 74 CO 0.00 -0.25 0.90 -0.81 0.13 0.00 0.00 175.17 175.14 3d5a n PRO 75 N 3.34 0.03 -0.06 4.34 -0.04 -0.84 -2.89 135.00 138.89 3d5a n PRO 75 Ca 0.06 0.27 -0.03 0.00 -0.04 0.00 0.00 63.50 63.76 3d5a n PRO 75 Cb 0.34 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 3d5a n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3d5a h GLU 76 N 0.00 0.00 0.00 0.54 4.57 -1.91 -3.28 114.58 114.50 3d5a h GLU 76 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3d5a h GLU 76 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3d5a h GLU 76 CO 0.00 0.11 0.00 0.07 -1.18 0.00 0.00 179.01 178.01 3d5a h ARG 77 N -1.00 0.00 -0.25 1.92 0.11 -1.93 -1.95 114.38 111.28 3d5a h ARG 77 Ca -0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 3d5a h ARG 77 Cb 0.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 3d5a h ARG 77 CO -0.01 0.00 0.05 -0.92 0.10 0.00 0.00 179.97 179.20 3d5a h TYR 78 N 0.00 0.35 0.00 4.08 3.20 -1.68 -1.06 116.97 121.86 3d5a h TYR 78 Ca 0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 3d5a h TYR 78 Cb 0.64 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3d5a h TYR 78 CO 0.00 0.32 -0.30 -0.09 -1.64 0.00 0.00 178.16 176.45 3d5a h ARG 79 N 0.35 0.00 0.14 1.82 9.65 -1.41 -2.93 114.38 122.00 3d5a h ARG 79 Ca 0.09 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.63 3d5a h ARG 79 Cb 0.15 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 3d5a h ARG 79 CO -0.00 0.30 -1.70 0.00 2.80 0.00 0.00 179.97 181.37 3d5a h ALA 80 N 1.70 0.28 -0.32 2.80 0.00 -1.35 -3.34 119.26 119.02 3d5a h ALA 80 Ca -0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 3d5a h ALA 80 Cb 0.64 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3d5a h ALA 80 CO 0.04 1.15 0.15 1.25 0.00 0.00 0.00 179.25 181.84 3d5a h LEU 81 N 0.08 0.43 -1.51 0.00 5.85 -1.18 -2.46 115.31 116.52 3d5a h LEU 81 Ca -0.31 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.34 3d5a h LEU 81 Cb 2.05 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.94 3d5a h LEU 81 CO 0.15 0.44 0.42 -0.29 -0.34 0.00 0.00 178.44 178.82 3d5a h ILE 82 N 0.39 0.98 0.00 4.05 -0.00 -1.68 -0.73 117.51 120.52 3d5a h ILE 82 Ca 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 64.86 64.77 3d5a h ILE 82 Cb 0.13 0.34 0.00 0.00 -0.00 0.00 0.00 36.82 37.29 3d5a h ILE 82 CO -0.01 0.11 0.00 -0.08 -0.00 0.00 0.00 178.15 178.16 3d5a h GLU 83 N 0.59 0.00 -0.02 2.19 4.81 -1.61 0.26 114.58 120.80 3d5a h GLU 83 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3d5a h GLU 83 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3d5a h GLU 83 CO -0.08 0.00 -0.24 1.63 -0.73 0.00 0.00 179.01 179.59 3d5a n LYS 84 N -3.09 1.44 0.00 1.92 5.02 -0.37 -4.19 118.16 118.90 3d5a n LYS 84 Ca 0.04 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 3d5a n LYS 84 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3d5a n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d5a n LEU 85 N 0.15 0.24 -2.93 -0.35 4.77 -0.67 -5.08 117.00 113.13 3d5a n LEU 85 Ca 0.13 -0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 55.67 3d5a n LEU 85 Cb 0.45 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3d5a n LEU 85 CO 0.23 0.06 -0.29 0.61 -1.33 0.00 0.00 177.39 176.66 3d5a n GLY 86 N 0.23 -2.13 0.56 -0.72 0.00 0.07 -5.05 105.19 98.14 3d5a n GLY 86 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.74 3d5a n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3d5a n ILE 87 N 0.36 0.00 -3.10 -0.61 -5.35 -1.15 -5.01 119.36 104.50 3d5a n ILE 87 Ca 0.03 -0.31 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 3d5a n ILE 87 Cb 0.31 0.18 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 3d5a n ILE 87 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3d5a n ARG 88 N -0.10 -1.44 0.00 6.28 5.12 -1.26 -4.95 116.66 120.31 3d5a n ARG 88 Ca 0.00 1.40 0.10 0.00 -1.93 0.00 0.00 57.85 57.41 3d5a n ARG 88 Cb 0.10 -5.69 0.08 0.00 -1.16 0.00 0.00 32.46 25.79 3d5a n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11