#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a s ILE 4 N 0.00 4.72 -0.10 -0.18 -1.09 -0.47 -4.77 121.20 119.30 3d5a s ILE 4 Ca 0.00 0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.41 3d5a s ILE 4 Cb 0.00 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 3d5a s ILE 4 CO 0.00 -0.73 0.21 -0.60 -1.23 0.00 0.00 174.94 172.60 3d5a s ARG 5 N -4.70 0.11 -0.01 2.79 3.52 -0.66 -2.69 118.95 117.31 3d5a s ARG 5 Ca 0.47 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.70 3d5a s ARG 5 Cb -0.10 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.11 3d5a s ARG 5 CO 0.43 -0.26 0.01 0.96 -0.81 0.00 0.00 175.30 175.63 3d5a s ILE 6 N 2.08 4.21 -0.09 4.11 -4.36 -1.00 -2.01 121.20 124.14 3d5a s ILE 6 Ca -0.01 -0.55 0.04 0.00 -0.26 0.00 0.00 60.65 59.87 3d5a s ILE 6 Cb -0.12 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.72 3d5a s ILE 6 CO -0.07 0.40 -0.22 -0.54 0.24 0.00 0.00 174.94 174.75 3d5a s LYS 7 N -1.50 2.75 -0.61 0.37 -0.14 -0.09 -3.09 119.74 117.43 3d5a s LYS 7 Ca 0.19 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 54.04 3d5a s LYS 7 Cb -0.12 -2.12 0.15 0.00 -1.68 0.00 0.00 37.83 34.06 3d5a s LYS 7 CO 0.10 0.18 0.38 -0.51 -0.76 0.00 0.00 175.35 174.74 3d5a s LEU 8 N 0.32 4.62 -0.20 3.17 1.02 -0.87 -1.05 118.68 125.70 3d5a s LEU 8 Ca -0.16 -3.38 -0.20 0.00 0.02 0.00 0.00 54.13 50.41 3d5a s LEU 8 Cb -0.17 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 3d5a s LEU 8 CO 0.07 -0.18 0.60 -0.13 0.02 0.00 0.00 176.35 176.74 3d5a s ARG 9 N -0.80 4.20 0.01 1.70 0.52 -0.91 -3.17 118.95 120.51 3d5a s ARG 9 Ca 0.21 0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.97 3d5a s ARG 9 Cb -0.16 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.73 3d5a s ARG 9 CO -0.07 -0.23 0.02 0.41 0.02 0.00 0.00 175.30 175.46 3d5a n GLY 10 N 3.84 2.09 0.00 -3.53 0.00 -1.24 -1.54 105.19 104.81 3d5a n GLY 10 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3d5a n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d5a n PHE 11 N -0.02 0.00 -1.60 1.61 0.99 -1.26 -0.76 117.46 116.43 3d5a n PHE 11 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.45 56.94 3d5a n PHE 11 Cb 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.44 3d5a n PHE 11 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3d5a n ASP 12 N -0.57 2.73 0.26 4.37 4.64 -1.26 -4.31 116.55 122.42 3d5a n ASP 12 Ca 0.00 0.74 0.17 0.00 -1.38 0.00 0.00 54.79 54.32 3d5a n ASP 12 Cb 0.00 -1.29 0.65 0.00 -1.04 0.00 0.00 41.12 39.44 3d5a n ASP 12 CO 0.00 0.00 0.00 1.12 -0.82 0.00 0.00 177.20 177.50 3d5a h HIS 13 N 10.34 0.00 -0.42 -0.67 2.07 -1.94 0.11 115.15 124.64 3d5a h HIS 13 Ca -0.40 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 56.99 3d5a h HIS 13 Cb 1.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.27 3d5a h HIS 13 CO 0.89 0.00 -0.28 0.87 -3.07 0.00 0.00 177.93 176.35 3d5a h LYS 14 N 0.00 0.92 0.00 5.12 1.57 -1.99 0.18 116.57 122.37 3d5a h LYS 14 Ca 0.00 -0.44 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 3d5a h LYS 14 Cb 0.52 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3d5a h LYS 14 CO 0.00 1.09 -0.56 1.79 -0.57 0.00 0.00 179.45 181.20 3d5a h THR 15 N 0.75 0.83 0.00 -0.16 1.35 -1.80 -3.09 112.91 110.79 3d5a h THR 15 Ca 0.08 -2.19 -0.07 0.00 -0.55 0.00 0.00 66.41 63.68 3d5a h THR 15 Cb 0.86 2.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 3d5a h THR 15 CO 0.08 0.47 -0.38 0.25 -0.25 0.00 0.00 175.52 175.69 3d5a h LEU 16 N 0.00 0.00 0.22 3.87 7.12 -0.62 -3.04 115.31 122.86 3d5a h LEU 16 Ca -0.01 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.67 3d5a h LEU 16 Cb 1.40 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.56 3d5a h LEU 16 CO 0.06 0.30 -1.41 -0.78 -0.13 0.00 0.00 178.44 176.48 3d5a h ASP 17 N 0.00 0.82 -0.32 1.25 3.58 -0.65 -1.96 116.42 119.14 3d5a h ASP 17 Ca -0.01 -0.85 -0.12 0.00 0.42 0.00 0.00 57.03 56.47 3d5a h ASP 17 Cb 1.24 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 3d5a h ASP 17 CO 0.04 1.66 -0.22 0.00 -2.88 0.00 0.00 179.24 177.84 3d5a h ALA 18 N 0.22 0.85 0.00 -0.78 0.00 -1.61 0.34 119.26 118.28 3d5a h ALA 18 Ca -0.23 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 3d5a h ALA 18 Cb 2.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3d5a h ALA 18 CO 0.26 0.64 -0.72 0.66 0.00 0.00 0.00 179.25 180.09 3d5a h SER 19 N 0.70 0.00 0.05 0.00 4.64 -1.62 -0.99 113.55 116.33 3d5a h SER 19 Ca 0.10 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.14 3d5a h SER 19 Cb 0.74 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3d5a h SER 19 CO 0.06 0.72 -1.10 0.00 -0.87 0.00 0.00 176.83 175.63 3d5a h ALA 20 N 1.28 0.07 -0.08 5.18 0.00 -1.12 -2.71 119.26 121.89 3d5a h ALA 20 Ca -0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 3d5a h ALA 20 Cb 1.35 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3d5a h ALA 20 CO 0.09 0.67 -0.40 0.37 0.00 0.00 0.00 179.25 179.98 3d5a h GLN 21 N 0.33 0.16 -0.00 0.00 4.15 -0.33 -3.07 115.11 116.35 3d5a h GLN 21 Ca -0.15 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 3d5a h GLN 21 Cb 1.77 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.45 3d5a h GLN 21 CO 0.21 0.54 -0.01 -0.22 -1.93 0.00 0.00 178.83 177.43 3d5a h LYS 22 N 0.14 0.01 -0.98 1.69 3.11 -1.19 -3.09 116.57 116.26 3d5a h LYS 22 Ca 0.01 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 3d5a h LYS 22 Cb 0.77 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.94 3d5a h LYS 22 CO 0.06 0.57 0.64 0.82 -2.81 0.00 0.00 179.45 178.73 3d5a h ILE 23 N -0.55 1.21 -0.43 2.00 2.04 -1.52 -1.16 117.51 119.11 3d5a h ILE 23 Ca 0.00 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.44 3d5a h ILE 23 Cb 0.57 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 3d5a h ILE 23 CO 0.00 0.23 0.26 0.58 0.00 0.00 0.00 178.15 179.22 3d5a h VAL 24 N 1.28 1.06 -0.59 1.67 2.07 -1.59 -1.26 116.25 118.89 3d5a h VAL 24 Ca 0.37 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.62 3d5a h VAL 24 Cb -0.07 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3d5a h VAL 24 CO -0.10 0.10 0.01 -0.33 0.02 0.00 0.00 177.57 177.27 3d5a h GLU 25 N 0.52 1.01 0.51 1.57 5.08 -1.37 -1.63 114.58 120.29 3d5a h GLU 25 Ca 0.17 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3d5a h GLU 25 Cb -0.01 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3d5a h GLU 25 CO -0.07 0.99 -0.31 0.00 -1.00 0.00 0.00 179.01 178.62 3d5a h ALA 26 N 1.07 -0.79 0.37 3.43 0.00 -0.75 -2.43 119.26 120.17 3d5a h ALA 26 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3d5a h ALA 26 Cb 0.52 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3d5a h ALA 26 CO 0.03 -0.95 -0.18 0.00 0.00 0.00 0.00 179.25 178.14 3d5a h ALA 27 N -0.34 -0.69 -0.42 0.00 0.00 -1.24 -3.23 119.26 113.33 3d5a h ALA 27 Ca -0.06 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3d5a h ALA 27 Cb 0.63 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 3d5a h ALA 27 CO 0.07 -0.65 -0.24 0.00 0.00 0.00 0.00 179.25 178.43 3d5a h ARG 28 N -0.79 -0.15 0.00 0.00 3.08 -1.42 0.54 114.38 115.63 3d5a h ARG 28 Ca -0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3d5a h ARG 28 Cb 0.38 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3d5a h ARG 28 CO 0.08 -0.10 0.00 -2.13 -1.07 0.00 0.00 179.97 176.75 3d5a n ARG 29 N -5.40 0.55 -0.65 0.04 0.63 -0.91 -2.90 116.66 108.02 3d5a n ARG 29 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3d5a n ARG 29 Cb 0.31 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 31.97 3d5a n ARG 29 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3d5a n SER 30 N -0.75 0.10 0.00 6.15 3.41 0.08 -5.04 113.62 117.56 3d5a n SER 30 Ca 0.07 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 3d5a n SER 30 Cb 0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3d5a n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5a n GLY 31 N 0.07 1.27 0.00 5.00 0.00 -0.58 -3.86 105.19 107.08 3d5a n GLY 31 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3d5a n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5a n ALA 32 N -3.00 0.00 -1.73 4.61 0.00 -1.26 -4.85 120.51 114.28 3d5a n ALA 32 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3d5a n ALA 32 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3d5a n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3d5a s GLN 33 N -1.07 3.41 -0.14 0.00 -0.21 -1.26 -4.50 119.66 115.90 3d5a s GLN 33 Ca 0.00 1.45 -0.05 0.00 0.02 0.00 0.00 55.36 56.78 3d5a s GLN 33 Cb 0.00 -2.03 0.07 0.00 1.00 0.00 0.00 33.01 32.05 3d5a s GLN 33 CO 0.00 -0.77 0.28 0.08 -2.12 0.00 0.00 175.29 172.76 3d5a s VAL 34 N -2.01 -0.45 0.15 1.09 1.01 -1.26 -3.29 120.40 115.65 3d5a s VAL 34 Ca 0.69 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 3d5a s VAL 34 Cb -0.20 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.60 3d5a s VAL 34 CO 0.28 0.10 1.60 -0.94 0.00 0.00 0.00 175.10 176.14 3d5a s SER 35 N 2.44 6.57 1.37 3.32 1.04 -0.25 -4.94 113.70 123.25 3d5a s SER 35 Ca 0.01 2.62 -0.19 0.00 0.48 0.00 0.00 55.95 58.88 3d5a s SER 35 Cb -0.12 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 63.70 3d5a s SER 35 CO -0.09 -0.85 0.70 0.61 0.98 0.00 0.00 173.24 174.58 3d5a n GLY 36 N 3.82 -3.81 3.62 7.32 0.00 -1.26 -3.33 105.19 111.56 3d5a n GLY 36 Ca 0.14 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 3d5a n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d5a n PRO 37 N -4.91 2.32 -3.57 1.61 -0.02 -1.26 -4.51 135.00 124.65 3d5a n PRO 37 Ca 0.11 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 3d5a n PRO 37 Cb 0.47 -3.15 -0.07 0.00 -0.02 0.00 0.00 33.50 30.73 3d5a n PRO 37 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d5a s ILE 38 N 6.85 4.47 0.18 4.25 1.01 0.14 -4.91 121.20 133.18 3d5a s ILE 38 Ca 0.96 -2.91 -0.31 0.00 0.00 0.00 0.00 60.65 58.39 3d5a s ILE 38 Cb -0.37 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3d5a s ILE 38 CO 0.38 -0.96 1.58 -2.16 0.00 0.00 0.00 174.94 173.78 3d5a s PRO 39 N -0.16 4.21 0.25 2.79 0.04 -1.26 -1.88 135.00 138.98 3d5a s PRO 39 Ca 0.19 2.39 0.06 0.00 0.04 0.00 0.00 61.00 63.67 3d5a s PRO 39 Cb -0.15 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 3d5a s PRO 39 CO -0.06 -0.61 0.30 -0.51 0.04 0.00 0.00 177.00 176.16 3d5a s LEU 40 N 0.99 4.08 -0.36 -3.56 1.43 -0.88 -4.98 118.68 115.40 3d5a s LEU 40 Ca 0.70 -0.09 -0.34 0.00 -1.03 0.00 0.00 54.13 53.37 3d5a s LEU 40 Cb -0.44 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.04 3d5a s LEU 40 CO 0.33 -0.08 2.22 -0.81 0.23 0.00 0.00 176.35 178.23 3d5a n PRO 41 N -1.33 1.13 -1.63 1.29 -0.04 -1.26 -4.50 135.00 128.65 3d5a n PRO 41 Ca -0.08 0.29 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 3d5a n PRO 41 Cb 0.57 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 3d5a n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3d5a s THR 42 N 7.71 3.04 0.00 0.52 2.01 -1.26 -4.89 115.64 122.77 3d5a s THR 42 Ca 1.09 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.83 3d5a s THR 42 Cb -0.79 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3d5a s THR 42 CO 0.47 -0.03 1.27 -0.13 -0.69 0.00 0.00 174.62 175.50 3d5a s ARG 43 N 6.26 4.35 -0.01 4.92 1.81 -1.09 -4.89 118.95 130.31 3d5a s ARG 43 Ca 0.99 1.81 0.05 0.00 -1.72 0.00 0.00 55.73 56.86 3d5a s ARG 43 Cb -0.32 -3.49 -0.01 0.00 -0.45 0.00 0.00 34.95 30.67 3d5a s ARG 43 CO 0.35 -0.44 -0.16 0.08 -0.68 0.00 0.00 175.30 174.45 3d5a s VAL 44 N 1.91 1.27 -0.54 3.52 1.01 -1.26 -2.19 120.40 124.13 3d5a s VAL 44 Ca 0.59 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 3d5a s VAL 44 Cb -0.29 -1.07 0.11 0.00 0.00 0.00 0.00 36.38 35.14 3d5a s VAL 44 CO 0.26 0.33 0.53 -0.13 0.00 0.00 0.00 175.10 176.09 3d5a s ARG 45 N -0.45 3.01 -0.66 2.72 1.81 -0.74 -4.87 118.95 119.77 3d5a s ARG 45 Ca 0.06 -1.52 -0.24 0.00 -1.72 0.00 0.00 55.73 52.31 3d5a s ARG 45 Cb -0.06 -4.25 0.06 0.00 -0.45 0.00 0.00 34.95 30.24 3d5a s ARG 45 CO -0.00 -1.31 1.03 1.03 -0.68 0.00 0.00 175.30 175.36 3d5a s ARG 46 N 1.88 3.17 -0.41 3.54 0.52 -1.26 0.16 118.95 126.54 3d5a s ARG 46 Ca 0.06 -0.61 -0.18 0.00 -0.52 0.00 0.00 55.73 54.48 3d5a s ARG 46 Cb -0.27 -4.19 0.01 0.00 0.52 0.00 0.00 34.95 31.03 3d5a s ARG 46 CO 0.05 -1.83 0.46 -0.06 0.02 0.00 0.00 175.30 173.94 3d5a s PHE 47 N 4.40 3.16 0.12 -0.53 2.99 0.37 -4.97 117.98 123.51 3d5a s PHE 47 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 56.93 56.95 3d5a s PHE 47 Cb -0.14 -2.92 -0.04 0.00 0.00 0.00 0.00 43.02 39.91 3d5a s PHE 47 CO 0.13 -0.67 0.29 0.95 -0.00 0.00 0.00 175.22 175.92 3d5a s THR 48 N 2.23 5.29 0.16 0.64 -4.23 -1.26 -0.38 115.64 118.10 3d5a s THR 48 Ca 0.14 -0.32 -0.23 0.00 -1.18 0.00 0.00 61.69 60.10 3d5a s THR 48 Cb -0.16 -3.66 0.08 0.00 1.34 0.00 0.00 72.50 70.09 3d5a s THR 48 CO 0.14 0.03 1.06 0.54 -0.54 0.00 0.00 174.62 175.85 3d5a s VAL 49 N -1.64 0.00 0.16 2.29 0.11 -0.59 -4.98 120.40 115.76 3d5a s VAL 49 Ca 0.37 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 3d5a s VAL 49 Cb -0.12 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.87 3d5a s VAL 49 CO 0.27 0.00 0.31 -0.63 -3.33 0.00 0.00 175.10 171.72 3d5a s ILE 50 N -2.22 5.30 0.00 7.04 -1.09 -1.26 -0.74 121.20 128.23 3d5a s ILE 50 Ca 0.22 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 3d5a s ILE 50 Cb -0.02 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 3d5a s ILE 50 CO 0.04 -0.12 0.17 0.54 -1.23 0.00 0.00 174.94 174.34 3d5a n ARG 51 N -0.63 0.00 -0.57 2.79 1.74 -1.26 -4.59 116.66 114.14 3d5a n ARG 51 Ca -0.07 0.23 -0.30 0.00 -0.77 0.00 0.00 57.85 56.94 3d5a n ARG 51 Cb 0.54 -0.85 0.21 0.00 -1.02 0.00 0.00 32.46 31.34 3d5a n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5a n GLY 52 N 1.57 -2.50 0.14 -0.13 0.00 -1.26 -4.98 105.19 98.03 3d5a n GLY 52 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 3d5a n GLY 52 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3d5a h PRO 53 N -2.41 0.31 0.00 1.61 0.11 -2.00 -3.47 132.00 126.14 3d5a h PRO 53 Ca -0.54 -0.53 0.00 0.00 0.11 0.00 0.00 66.00 65.05 3d5a h PRO 53 Cb 1.31 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.62 3d5a h PRO 53 CO 0.39 1.23 0.00 0.34 -0.21 0.00 0.00 178.00 179.75 3d5a n PHE 54 N -3.51 0.00 -4.01 0.65 7.35 -1.26 -5.00 117.46 111.68 3d5a n PHE 54 Ca -0.28 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.10 3d5a n PHE 54 Cb 1.06 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.73 3d5a n PHE 54 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 3d5a s LYS 55 N 0.37 2.09 -0.50 -4.13 0.00 -1.26 -5.02 119.74 111.29 3d5a s LYS 55 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 55.97 55.03 3d5a s LYS 55 Cb 0.00 -2.59 0.22 0.00 0.00 0.00 0.00 37.83 35.46 3d5a s LYS 55 CO 0.00 -0.48 0.80 0.72 0.00 0.00 0.00 175.35 176.39 3d5a n HIS 56 N 4.61 -3.48 -0.75 1.78 8.25 -1.26 -5.02 115.22 119.35 3d5a n HIS 56 Ca -0.14 -1.64 -0.18 0.00 -0.26 0.00 0.00 57.72 55.50 3d5a n HIS 56 Cb 0.45 1.47 -0.05 0.00 1.12 0.00 0.00 29.99 32.98 3d5a n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3d5a n LYS 57 N 2.24 1.93 -3.61 -0.41 4.76 -1.26 -4.63 118.16 117.18 3d5a n LYS 57 Ca 0.14 -1.21 -0.02 0.00 -2.87 0.00 0.00 58.31 54.34 3d5a n LYS 57 Cb 0.59 -2.24 -0.01 0.00 -1.84 0.00 0.00 35.03 31.53 3d5a n LYS 57 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 3d5a s ASP 58 N 2.89 -0.08 -1.17 4.39 -4.77 -1.26 -4.95 116.67 111.72 3d5a s ASP 58 Ca 0.43 -0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.64 3d5a s ASP 58 Cb 0.15 0.12 0.00 0.00 -1.09 0.00 0.00 42.92 42.09 3d5a s ASP 58 CO -0.02 -0.20 0.00 -1.54 0.70 0.00 0.00 175.17 174.11 3d5a n SER 59 N -0.22 -3.20 -4.77 2.11 3.41 -1.26 -4.78 113.62 104.90 3d5a n SER 59 Ca -0.02 0.27 -0.32 0.00 -0.26 0.00 0.00 58.87 58.54 3d5a n SER 59 Cb 0.60 -2.97 0.06 0.00 -0.26 0.00 0.00 64.21 61.64 3d5a n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d5a s ARG 60 N -3.46 2.60 0.18 4.33 1.70 -1.26 -4.48 118.95 118.55 3d5a s ARG 60 Ca 0.00 1.28 0.11 0.00 -0.47 0.00 0.00 55.73 56.65 3d5a s ARG 60 Cb 0.00 -1.93 -0.04 0.00 -0.57 0.00 0.00 34.95 32.40 3d5a s ARG 60 CO 0.00 -1.39 -0.23 -2.00 -1.08 0.00 0.00 175.30 170.60 3d5a s GLU 61 N -4.46 1.56 0.05 3.89 2.56 0.09 -4.84 118.70 117.55 3d5a s GLU 61 Ca 0.64 -1.47 -0.02 0.00 0.00 0.00 0.00 54.97 54.13 3d5a s GLU 61 Cb -0.19 -1.89 -0.03 0.00 2.00 0.00 0.00 34.13 34.02 3d5a s GLU 61 CO 0.48 0.41 -0.00 -3.38 -0.56 0.00 0.00 175.26 172.21 3d5a s HIS 62 N -1.57 0.47 0.35 5.30 -3.43 -1.26 -1.54 115.29 113.60 3d5a s HIS 62 Ca 0.20 -0.99 0.04 0.00 -0.80 0.00 0.00 55.06 53.51 3d5a s HIS 62 Cb -0.08 -0.34 -0.03 0.00 -1.43 0.00 0.00 32.58 30.69 3d5a s HIS 62 CO 0.10 -0.39 0.15 -0.06 -2.00 0.00 0.00 174.74 172.54 3d5a s PHE 63 N -3.80 1.71 -0.07 0.38 0.08 0.49 -4.99 117.98 111.78 3d5a s PHE 63 Ca 0.06 -1.34 -0.06 0.00 0.12 0.00 0.00 56.93 55.70 3d5a s PHE 63 Cb 0.07 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.56 3d5a s PHE 63 CO -0.10 -0.44 0.18 -1.83 -0.10 0.00 0.00 175.22 172.93 3d5a s GLU 64 N -3.74 0.21 -0.55 0.44 -1.05 -1.26 -0.48 118.70 112.27 3d5a s GLU 64 Ca 0.32 0.26 -0.17 0.00 -0.15 0.00 0.00 54.97 55.23 3d5a s GLU 64 Cb 0.04 0.10 0.12 0.00 -0.44 0.00 0.00 34.13 33.95 3d5a s GLU 64 CO 0.17 -0.03 0.54 -1.17 0.95 0.00 0.00 175.26 175.73 3d5a s LEU 65 N 0.12 5.96 -0.62 1.83 2.96 0.12 -4.89 118.68 124.16 3d5a s LEU 65 Ca -0.00 -1.67 -0.27 0.00 -0.22 0.00 0.00 54.13 51.97 3d5a s LEU 65 Cb -0.01 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.45 3d5a s LEU 65 CO 0.00 -0.90 1.50 -0.13 -1.32 0.00 0.00 176.35 175.50 3d5a s ARG 66 N 1.86 3.10 -0.55 1.98 1.81 -1.26 -1.80 118.95 124.08 3d5a s ARG 66 Ca 0.05 0.33 -0.07 0.00 -1.72 0.00 0.00 55.73 54.32 3d5a s ARG 66 Cb -0.28 -4.21 0.14 0.00 -0.45 0.00 0.00 34.95 30.15 3d5a s ARG 66 CO 0.04 -2.20 0.40 0.99 -0.68 0.00 0.00 175.30 173.86 3d5a s THR 67 N 6.77 4.09 0.93 0.02 2.01 -0.93 -4.36 115.64 124.18 3d5a s THR 67 Ca 0.52 -2.27 -0.14 0.00 0.31 0.00 0.00 61.69 60.11 3d5a s THR 67 Cb -0.11 -3.68 0.16 0.00 0.01 0.00 0.00 72.50 68.89 3d5a s THR 67 CO 0.21 -0.83 1.22 -1.00 -0.69 0.00 0.00 174.62 173.53 3d5a s HIS 68 N 0.75 2.08 -0.19 4.92 3.76 0.06 -2.68 115.29 124.00 3d5a s HIS 68 Ca 0.11 0.59 -0.12 0.00 -0.15 0.00 0.00 55.06 55.48 3d5a s HIS 68 Cb -0.22 -3.70 0.06 0.00 1.11 0.00 0.00 32.58 29.83 3d5a s HIS 68 CO -0.03 -2.46 0.47 -0.80 -0.85 0.00 0.00 174.74 171.06 3d5a s ASN 69 N -4.49 -0.57 -0.01 1.40 0.01 -1.26 -3.68 114.94 106.33 3d5a s ASN 69 Ca 0.68 1.00 -0.00 0.00 -0.71 0.00 0.00 52.86 53.82 3d5a s ASN 69 Cb -0.09 0.91 0.01 0.00 0.41 0.00 0.00 41.25 42.49 3d5a s ASN 69 CO 0.52 -0.19 0.03 -0.13 -1.51 0.00 0.00 177.10 175.82 3d5a s ARG 70 N 1.12 -0.00 -0.06 -0.60 0.52 -1.19 -2.08 118.95 116.66 3d5a s ARG 70 Ca -0.07 0.09 0.05 0.00 -0.52 0.00 0.00 55.73 55.29 3d5a s ARG 70 Cb -0.07 -0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.30 3d5a s ARG 70 CO -0.10 -0.07 -0.24 -1.17 0.02 0.00 0.00 175.30 173.74 3d5a s LEU 71 N 0.44 2.14 -0.11 2.53 2.96 -0.79 -2.05 118.68 123.80 3d5a s LEU 71 Ca -0.04 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3d5a s LEU 71 Cb -0.05 -1.40 0.06 0.00 0.50 0.00 0.00 46.19 45.30 3d5a s LEU 71 CO -0.01 0.24 0.16 -0.69 -1.32 0.00 0.00 176.35 174.72 3d5a s VAL 72 N -0.13 -0.24 -0.15 1.68 1.01 -1.18 0.23 120.40 121.63 3d5a s VAL 72 Ca -0.04 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3d5a s VAL 72 Cb -0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3d5a s VAL 72 CO 0.04 0.04 0.20 -1.81 0.00 0.00 0.00 175.10 173.57 3d5a s ASP 73 N 2.27 6.38 -0.18 3.32 1.11 -1.21 -2.39 116.67 125.97 3d5a s ASP 73 Ca 0.04 0.44 -0.00 0.00 0.18 0.00 0.00 52.55 53.20 3d5a s ASP 73 Cb -0.13 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.74 3d5a s ASP 73 CO -0.07 0.25 -0.14 0.27 1.18 0.00 0.00 175.17 176.65 3d5a s ILE 74 N -0.18 2.64 0.00 0.77 -0.00 -1.09 -1.08 121.20 122.24 3d5a s ILE 74 Ca 0.14 -0.76 0.00 0.00 -0.00 0.00 0.00 60.65 60.03 3d5a s ILE 74 Cb -0.12 -2.14 0.00 0.00 -0.00 0.00 0.00 42.46 40.20 3d5a s ILE 74 CO 0.03 0.50 0.00 2.30 -0.00 0.00 0.00 174.94 177.77 3d5a n ILE 75 N 4.42 0.00 -1.61 8.37 -5.35 -1.21 -1.37 119.36 122.61 3d5a n ILE 75 Ca -0.19 0.00 -0.47 0.00 -0.27 0.00 0.00 62.75 61.81 3d5a n ILE 75 Cb 0.51 -0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 38.11 3d5a n ILE 75 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3d5a n ASN 76 N 0.00 3.16 -4.56 7.28 4.13 -1.26 -3.99 115.26 120.01 3d5a n ASN 76 Ca 0.00 0.67 -0.42 0.00 1.68 0.00 0.00 54.58 56.51 3d5a n ASN 76 Cb 0.00 -1.40 -0.04 0.00 -1.54 0.00 0.00 39.78 36.80 3d5a n ASN 76 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3d5a n PRO 77 N 7.54 1.53 -3.51 3.52 -0.04 -1.26 -4.58 135.00 138.19 3d5a n PRO 77 Ca 0.28 0.34 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 3d5a n PRO 77 Cb 0.32 -3.14 -0.08 0.00 -0.04 0.00 0.00 33.50 30.56 3d5a n PRO 77 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3d5a s ASN 78 N 9.29 6.29 0.58 3.54 0.01 -1.26 -4.96 114.94 128.43 3d5a s ASN 78 Ca 1.02 0.33 0.30 0.00 -0.71 0.00 0.00 52.86 53.80 3d5a s ASN 78 Cb -0.39 -2.17 1.78 0.00 0.41 0.00 0.00 41.25 40.87 3d5a s ASN 78 CO 0.35 -0.01 2.22 0.03 -1.51 0.00 0.00 177.10 178.18 3d5a h ARG 79 N 7.45 0.00 0.03 -0.60 2.47 -1.92 0.18 114.38 121.99 3d5a h ARG 79 Ca -0.37 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.09 3d5a h ARG 79 Cb 1.17 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.50 3d5a h ARG 79 CO 0.69 0.03 -1.07 -0.22 0.56 0.00 0.00 179.97 179.96 3d5a h LYS 80 N 0.00 0.62 0.00 0.04 1.63 -1.93 -2.92 116.57 114.01 3d5a h LYS 80 Ca -0.00 -0.70 -0.12 0.00 -0.85 0.00 0.00 60.65 58.98 3d5a h LYS 80 Cb 0.08 0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 3d5a h LYS 80 CO 0.00 1.29 -0.56 1.79 -3.45 0.00 0.00 179.45 178.52 3d5a h THR 81 N 0.33 1.15 -0.12 1.00 1.35 -1.26 -0.27 112.91 115.09 3d5a h THR 81 Ca -0.13 -2.10 -0.02 0.00 -0.55 0.00 0.00 66.41 63.61 3d5a h THR 81 Cb 1.72 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 70.35 3d5a h THR 81 CO 0.20 0.55 -0.01 0.40 -0.25 0.00 0.00 175.52 176.41 3d5a h ILE 82 N 0.00 1.26 0.00 6.82 1.08 -0.75 -2.00 117.51 123.92 3d5a h ILE 82 Ca -0.01 -0.86 -0.06 0.00 -0.39 0.00 0.00 64.86 63.55 3d5a h ILE 82 Cb 1.17 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 3d5a h ILE 82 CO 0.07 0.25 -0.29 -0.08 -0.69 0.00 0.00 178.15 177.41 3d5a h GLU 83 N -0.06 0.00 -0.30 2.37 4.81 -1.50 -2.18 114.58 117.73 3d5a h GLU 83 Ca 0.03 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 3d5a h GLU 83 Cb 0.38 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3d5a h GLU 83 CO 0.01 0.29 -0.51 0.37 -0.73 0.00 0.00 179.01 178.43 3d5a h GLN 84 N 0.00 0.85 -0.00 1.92 5.75 -0.89 -2.73 115.11 120.01 3d5a h GLN 84 Ca -0.00 -0.52 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3d5a h GLN 84 Cb 0.95 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.55 3d5a h GLN 84 CO 0.04 1.16 -0.48 1.28 -2.65 0.00 0.00 178.83 178.18 3d5a n LEU 85 N -4.01 0.89 0.00 -2.39 4.77 -0.77 -1.67 117.00 113.82 3d5a n LEU 85 Ca -0.04 -0.23 0.11 0.00 -0.03 0.00 0.00 56.01 55.83 3d5a n LEU 85 Cb 0.61 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.66 3d5a n LEU 85 CO 0.50 0.19 0.25 0.80 -1.33 0.00 0.00 177.39 177.79 3d5a n MET 86 N -1.07 0.03 0.00 3.23 1.56 -0.82 -4.55 117.12 115.49 3d5a n MET 86 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.51 3d5a n MET 86 Cb 0.35 -1.51 0.00 0.00 2.15 0.00 0.00 33.22 34.21 3d5a n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 3d5a n THR 87 N -1.54 0.00 -2.84 1.12 -2.24 -1.04 -4.92 114.28 102.82 3d5a n THR 87 Ca 0.05 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.39 3d5a n THR 87 Cb 0.34 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3d5a n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3d5a n LEU 88 N -2.26 5.88 -4.12 3.22 7.94 -0.67 -4.96 117.00 122.02 3d5a n LEU 88 Ca 0.00 -4.72 -0.17 0.00 -1.11 0.00 0.00 56.01 50.02 3d5a n LEU 88 Cb 0.28 -1.51 -0.12 0.00 0.53 0.00 0.00 43.42 42.60 3d5a n LEU 88 CO 0.00 1.16 -0.44 1.51 -1.11 0.00 0.00 177.39 178.52 3d5a s ASP 89 N 1.33 1.34 -0.34 1.96 -4.77 -1.26 -4.62 116.67 110.31 3d5a s ASP 89 Ca 0.38 -0.56 0.16 0.00 -3.30 0.00 0.00 52.55 49.23 3d5a s ASP 89 Cb 0.01 -0.03 0.44 0.00 -1.09 0.00 0.00 42.92 42.25 3d5a s ASP 89 CO 0.00 -0.11 1.01 -0.11 0.70 0.00 0.00 175.17 176.67 3d5a n LEU 90 N 1.47 0.70 0.00 2.11 7.94 -1.26 -5.12 117.00 122.83 3d5a n LEU 90 Ca -0.21 -3.76 -0.13 0.00 -1.11 0.00 0.00 56.01 50.79 3d5a n LEU 90 Cb 0.54 0.38 0.09 0.00 0.53 0.00 0.00 43.42 44.97 3d5a n LEU 90 CO 0.21 1.69 0.39 -0.81 -1.11 0.00 0.00 177.39 177.76 3d5a n PRO 91 N -0.13 -0.41 0.00 1.96 -0.04 -1.26 -4.91 135.00 130.21 3d5a n PRO 91 Ca 0.08 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 3d5a n PRO 91 Cb 0.81 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 3d5a n PRO 91 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3d5a n THR 92 N -2.70 0.00 -1.35 0.52 5.66 -1.26 -4.94 114.28 110.20 3d5a n THR 92 Ca 0.08 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.73 3d5a n THR 92 Cb 0.28 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.14 3d5a n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3d5a n GLY 93 N -1.02 5.88 2.75 1.09 0.00 -1.26 -4.81 105.19 107.81 3d5a n GLY 93 Ca 0.00 -2.32 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 3d5a n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5a s VAL 94 N -4.83 1.47 -0.42 1.61 1.01 -1.26 -4.06 120.40 113.91 3d5a s VAL 94 Ca 0.64 -2.47 -0.29 0.00 0.00 0.00 0.00 61.98 59.87 3d5a s VAL 94 Cb 0.51 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3d5a s VAL 94 CO -0.02 -0.85 1.49 -0.70 0.00 0.00 0.00 175.10 175.02 3d5a s GLU 95 N 0.48 3.47 -0.01 2.72 2.56 -0.59 -4.90 118.70 122.43 3d5a s GLU 95 Ca 0.16 0.95 -0.01 0.00 0.00 0.00 0.00 54.97 56.07 3d5a s GLU 95 Cb -0.24 -4.08 -0.04 0.00 2.00 0.00 0.00 34.13 31.78 3d5a s GLU 95 CO -0.03 -1.70 0.11 0.96 -0.56 0.00 0.00 175.26 174.05 3d5a s ILE 96 N 5.86 4.96 -0.04 -3.70 -0.00 -1.26 -2.14 121.20 124.87 3d5a s ILE 96 Ca 0.64 -0.32 -0.02 0.00 -0.00 0.00 0.00 60.65 60.95 3d5a s ILE 96 Cb -0.15 -3.28 0.03 0.00 -0.00 0.00 0.00 42.46 39.06 3d5a s ILE 96 CO 0.32 0.35 0.06 -1.61 -0.00 0.00 0.00 174.94 174.06 3d5a s GLU 97 N -1.79 -0.05 -0.10 0.37 0.41 -0.21 -5.00 118.70 112.33 3d5a s GLU 97 Ca 0.24 0.34 0.02 0.00 -0.41 0.00 0.00 54.97 55.16 3d5a s GLU 97 Cb -0.12 -0.39 0.01 0.00 -1.78 0.00 0.00 34.13 31.85 3d5a s GLU 97 CO 0.15 -0.27 -0.15 0.42 -0.49 0.00 0.00 175.26 174.92 3d5a s ILE 98 N 1.79 1.48 0.19 -1.63 1.01 -1.26 -0.91 121.20 121.87 3d5a s ILE 98 Ca -0.00 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.04 3d5a s ILE 98 Cb -0.12 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 3d5a s ILE 98 CO -0.03 0.44 -0.04 -0.54 0.00 0.00 0.00 174.94 174.76 3d5a s LYS 99 N 0.88 1.20 0.00 2.79 -0.14 -0.85 -5.01 119.74 118.62 3d5a s LYS 99 Ca -0.09 -1.57 0.26 0.00 -1.36 0.00 0.00 55.97 53.21 3d5a s LYS 99 Cb -0.15 -0.59 1.53 0.00 -1.68 0.00 0.00 37.83 36.94 3d5a s LYS 99 CO 0.00 -0.03 1.89 0.25 -0.76 0.00 0.00 175.35 176.70