#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlo h SER 2 N 0.00 -0.34 -7.08 1.61 0.02 -2.13 -3.44 113.55 102.18 2dlo h SER 2 Ca 0.00 0.16 -0.61 0.00 -0.84 0.00 0.00 61.79 60.50 2dlo h SER 2 Cb 0.00 0.29 -0.31 0.00 0.14 0.00 0.00 62.40 62.52 2dlo h SER 2 CO 0.00 -0.13 -0.90 -1.20 -1.14 0.00 0.00 176.83 173.45 2dlo n SER 3 N -5.31 -1.59 -2.60 3.07 7.64 -1.26 -4.91 113.62 108.66 2dlo n SER 3 Ca 0.08 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.76 2dlo n SER 3 Cb 0.34 -1.87 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 2dlo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlo n GLY 4 N -1.41 -1.77 2.72 0.23 0.00 -1.26 -5.09 105.19 98.62 2dlo n GLY 4 Ca 0.02 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.33 2dlo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlo s SER 5 N -1.29 0.66 -0.14 1.61 0.01 -1.26 -5.13 113.70 108.17 2dlo s SER 5 Ca 0.00 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 2dlo s SER 5 Cb 0.00 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.15 2dlo s SER 5 CO 0.00 -0.19 -0.03 -0.44 0.41 0.00 0.00 173.24 172.98 2dlo s SER 6 N 1.66 2.46 -0.05 2.44 0.01 -1.26 -5.04 113.70 113.92 2dlo s SER 6 Ca -0.01 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 2dlo s SER 6 Cb -0.12 -0.76 -0.06 0.00 0.21 0.00 0.00 66.02 65.28 2dlo s SER 6 CO -0.03 -0.19 0.48 1.23 0.41 0.00 0.00 173.24 175.14 2dlo h GLY 7 N 8.19 -0.43 -3.66 3.44 0.00 -2.08 -3.48 103.07 105.04 2dlo h GLY 7 Ca -0.23 0.16 -0.21 0.00 0.00 0.00 0.00 47.33 47.05 2dlo h GLY 7 CO 0.36 -0.16 -0.37 -2.21 0.00 0.00 0.00 176.54 174.16 2dlo n GLU 8 N -5.02 -4.16 -3.64 4.80 4.07 -1.26 -5.01 120.64 110.43 2dlo n GLU 8 Ca -0.05 0.45 -0.39 0.00 -0.06 0.00 0.00 57.16 57.11 2dlo n GLU 8 Cb 0.16 -4.31 -0.11 0.00 -0.06 0.00 0.00 31.44 27.11 2dlo n GLU 8 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2dlo s GLY 9 N -3.27 1.88 -0.05 8.31 0.00 -1.26 -5.06 107.32 107.87 2dlo s GLY 9 Ca 0.26 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2dlo s GLY 9 CO 0.39 0.72 -0.03 0.00 0.00 0.00 0.00 173.10 174.18 2dlo s TYR 11 N 1.19 -0.15 0.10 0.00 -0.85 -1.26 -5.17 117.35 111.21 2dlo s TYR 11 Ca -0.07 0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.67 2dlo s TYR 11 Cb -0.14 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 2dlo s TYR 11 CO -0.02 -0.19 0.06 0.14 -1.52 0.00 0.00 175.55 174.02 2dlo s VAL 12 N -1.99 4.34 0.10 -3.49 -7.23 -1.26 -5.11 120.40 105.77 2dlo s VAL 12 Ca 0.08 -0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 2dlo s VAL 12 Cb -0.01 -3.11 0.07 0.00 0.56 0.00 0.00 36.38 33.89 2dlo s VAL 12 CO -0.05 0.08 0.91 0.00 -0.31 0.00 0.00 175.10 175.73 2dlo n ALA 13 N 0.33 -2.44 -0.77 1.32 0.00 -1.26 -5.02 120.51 112.68 2dlo n ALA 13 Ca -0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 53.44 52.47 2dlo n ALA 13 Cb 0.52 0.37 -0.13 0.00 0.00 0.00 0.00 19.45 20.22 2dlo n ALA 13 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dlo n THR 14 N -0.64 2.33 -4.42 0.00 -2.24 -1.26 -4.84 114.28 103.20 2dlo n THR 14 Ca -0.00 -1.15 -0.32 0.00 -2.27 0.00 0.00 64.05 60.31 2dlo n THR 14 Cb 0.48 -1.87 -0.10 0.00 -2.10 0.00 0.00 70.33 66.73 2dlo n THR 14 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2dlo s LEU 15 N 0.00 3.25 0.07 3.22 0.05 -1.26 -5.11 118.68 118.90 2dlo s LEU 15 Ca 0.51 -0.11 -0.23 0.00 0.05 0.00 0.00 54.13 54.35 2dlo s LEU 15 Cb 0.24 -1.86 -0.06 0.00 -2.05 0.00 0.00 46.19 42.46 2dlo s LEU 15 CO 0.00 0.28 0.70 -1.61 -0.55 0.00 0.00 176.35 175.17 2dlo s GLU 16 N -1.43 4.43 -0.18 1.48 2.02 -1.26 -4.91 118.70 118.85 2dlo s GLU 16 Ca 0.17 0.96 -0.16 0.00 0.02 0.00 0.00 54.97 55.97 2dlo s GLU 16 Cb -0.11 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2dlo s GLU 16 CO 0.08 0.44 0.38 0.15 0.02 0.00 0.00 175.26 176.33 2dlo s LYS 17 N -0.56 4.22 0.18 1.61 1.02 -1.26 -1.84 119.74 123.11 2dlo s LYS 17 Ca 0.35 0.21 -0.33 0.00 0.02 0.00 0.00 55.97 56.22 2dlo s LYS 17 Cb -0.21 -3.49 -0.15 0.00 -0.52 0.00 0.00 37.83 33.46 2dlo s LYS 17 CO 0.22 0.06 1.27 0.00 -0.92 0.00 0.00 175.35 175.99 2dlo n ALA 19 N 1.81 3.75 0.00 0.00 0.00 -1.00 -2.01 120.51 123.07 2dlo n ALA 19 Ca 0.14 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2dlo n ALA 19 Cb 0.26 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2dlo n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dlo n THR 20 N 0.16 0.00 0.27 0.00 -1.04 -1.26 -4.82 114.28 107.59 2dlo n THR 20 Ca 0.25 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.28 2dlo n THR 20 Cb 1.01 -0.96 -0.01 0.00 -1.82 0.00 0.00 70.33 68.54 2dlo n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dlo n SER 22 N -0.63 -2.88 -4.13 0.00 7.64 -0.85 -5.04 113.62 107.74 2dlo n SER 22 Ca 0.02 -0.49 -0.18 0.00 1.01 0.00 0.00 58.87 59.23 2dlo n SER 22 Cb 0.11 -4.05 -0.13 0.00 -1.01 0.00 0.00 64.21 59.14 2dlo n SER 22 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dlo s GLN 23 N -4.80 0.80 -0.08 1.43 -1.52 -1.24 -4.89 119.66 109.36 2dlo s GLN 23 Ca 0.08 -0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 52.42 2dlo s GLN 23 Cb -0.01 -0.77 -0.04 0.00 -0.22 0.00 0.00 33.01 31.97 2dlo s GLN 23 CO 0.56 0.18 1.51 -1.25 -0.25 0.00 0.00 175.29 176.04 2dlo s PRO 24 N -1.32 4.21 -0.04 2.91 0.04 -1.26 0.26 135.00 139.80 2dlo s PRO 24 Ca -0.01 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 2dlo s PRO 24 Cb -0.08 -3.86 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 2dlo s PRO 24 CO 0.01 -0.77 1.12 0.42 0.04 0.00 0.00 177.00 177.83 2dlo s ILE 25 N 3.63 4.43 0.00 0.56 1.01 -0.77 -4.88 121.20 125.19 2dlo s ILE 25 Ca 0.67 1.74 0.00 0.00 0.00 0.00 0.00 60.65 63.06 2dlo s ILE 25 Cb -0.30 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.05 2dlo s ILE 25 CO 0.25 0.04 0.00 0.18 0.00 0.00 0.00 174.94 175.41 2dlo n LEU 26 N 4.73 2.40 0.00 2.97 4.77 -1.26 -4.61 117.00 126.00 2dlo n LEU 26 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2dlo n LEU 26 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2dlo n LEU 26 CO 0.54 0.40 0.25 0.47 -1.33 0.00 0.00 177.39 177.72 2dlo n ASP 27 N -2.32 0.00 -3.96 -1.43 9.92 -1.26 -4.93 116.55 112.57 2dlo n ASP 27 Ca 0.00 0.57 -0.13 0.00 -0.53 0.00 0.00 54.79 54.71 2dlo n ASP 27 Cb 0.41 -0.24 -0.13 0.00 -0.64 0.00 0.00 41.12 40.52 2dlo n ASP 27 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2dlo s ARG 28 N -1.47 0.31 -0.26 -1.24 3.52 -1.26 -5.14 118.95 113.41 2dlo s ARG 28 Ca 0.00 -0.35 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 2dlo s ARG 28 Cb 0.00 -0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 2dlo s ARG 28 CO 0.00 0.03 0.01 0.42 -0.81 0.00 0.00 175.30 174.95 2dlo s ILE 29 N -0.66 3.61 -0.36 4.11 1.01 -1.26 -4.42 121.20 123.23 2dlo s ILE 29 Ca -0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2dlo s ILE 29 Cb -0.05 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2dlo s ILE 29 CO -0.00 0.25 0.20 -0.22 0.00 0.00 0.00 174.94 175.16 2dlo s LEU 30 N 1.47 4.55 -0.09 2.97 0.20 -0.33 -4.97 118.68 122.48 2dlo s LEU 30 Ca 0.04 -0.82 -0.30 0.00 0.69 0.00 0.00 54.13 53.74 2dlo s LEU 30 Cb -0.16 -2.03 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 2dlo s LEU 30 CO -0.01 -0.32 1.03 -0.13 -0.29 0.00 0.00 176.35 176.63 2dlo s ARG 31 N 1.59 4.42 -0.19 1.98 0.52 -1.26 -0.73 118.95 125.28 2dlo s ARG 31 Ca 0.03 1.43 -0.10 0.00 -0.52 0.00 0.00 55.73 56.58 2dlo s ARG 31 Cb -0.18 -3.54 0.07 0.00 0.52 0.00 0.00 34.95 31.81 2dlo s ARG 31 CO 0.07 -0.33 0.46 0.00 0.02 0.00 0.00 175.30 175.52 2dlo s ALA 32 N 2.01 -1.20 -1.47 2.13 0.00 -0.26 -4.89 121.76 118.08 2dlo s ALA 32 Ca 0.50 1.68 0.00 0.00 0.00 0.00 0.00 51.96 54.14 2dlo s ALA 32 Cb -0.19 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2dlo s ALA 32 CO 0.19 -0.33 0.00 -1.33 0.00 0.00 0.00 175.76 174.29 2dlo n MET 33 N 4.37 -1.31 0.00 0.00 2.81 -1.26 -2.34 117.12 119.39 2dlo n MET 33 Ca -0.22 0.85 0.00 0.00 -1.81 0.00 0.00 57.70 56.52 2dlo n MET 33 Cb 0.55 -5.25 0.00 0.00 -0.71 0.00 0.00 33.22 27.82 2dlo n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dlo n GLY 34 N -1.00 2.17 3.95 3.03 0.00 -1.26 -4.98 105.19 107.10 2dlo n GLY 34 Ca -0.19 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2dlo n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dlo s LYS 35 N 0.00 1.65 -0.14 1.61 1.02 -0.99 -5.07 119.74 117.82 2dlo s LYS 35 Ca 0.00 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 2dlo s LYS 35 Cb 0.00 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 2dlo s LYS 35 CO 0.00 -1.58 -0.04 0.00 -0.92 0.00 0.00 175.35 172.80 2dlo s ALA 36 N -3.36 3.00 0.09 5.17 0.00 -1.26 -1.10 121.76 124.30 2dlo s ALA 36 Ca 0.66 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2dlo s ALA 36 Cb -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2dlo s ALA 36 CO 0.46 0.28 -0.05 0.71 0.00 0.00 0.00 175.76 177.16 2dlo s TYR 37 N 0.16 0.79 0.56 0.00 1.51 0.09 -2.37 117.35 118.09 2dlo s TYR 37 Ca -0.02 -0.97 -0.19 0.00 -1.01 0.00 0.00 57.07 54.88 2dlo s TYR 37 Cb -0.14 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 2dlo s TYR 37 CO 0.03 -0.23 1.13 -1.01 -1.11 0.00 0.00 175.55 174.36 2dlo s HIS 38 N -3.72 2.64 -2.00 2.71 3.76 -1.26 -1.19 115.29 116.23 2dlo s HIS 38 Ca 0.11 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.65 2dlo s HIS 38 Cb 0.06 -3.29 0.52 0.00 1.11 0.00 0.00 32.58 30.99 2dlo s HIS 38 CO -0.06 -1.63 0.97 -0.35 -0.85 0.00 0.00 174.74 172.82 2dlo n PRO 39 N -1.47 0.49 0.00 8.40 -0.04 -1.26 -2.82 135.00 138.30 2dlo n PRO 39 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2dlo n PRO 39 Cb 0.51 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2dlo n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dlo n GLY 40 N -0.02 0.00 0.15 0.55 0.00 -1.26 -4.81 105.19 99.80 2dlo n GLY 40 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2dlo n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dlo n PHE 42 N -4.49 1.49 -3.80 0.00 7.35 -1.19 -4.90 117.46 111.92 2dlo n PHE 42 Ca -0.06 0.18 -0.10 0.00 -0.76 0.00 0.00 57.45 56.71 2dlo n PHE 42 Cb 0.39 -2.58 -0.07 0.00 0.35 0.00 0.00 39.48 37.58 2dlo n PHE 42 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dlo s THR 43 N 9.01 0.12 1.08 -2.13 -4.23 -1.26 -3.09 115.64 115.13 2dlo s THR 43 Ca 1.08 -0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 2dlo s THR 43 Cb -0.64 -1.16 0.23 0.00 1.34 0.00 0.00 72.50 72.27 2dlo s THR 43 CO 0.41 -0.53 0.99 0.00 -0.54 0.00 0.00 174.62 174.95 2dlo n VAL 45 N -4.68 0.17 -0.01 0.00 0.24 -1.17 -3.53 118.33 109.34 2dlo n VAL 45 Ca 0.06 -0.54 -0.01 0.00 -2.04 0.00 0.00 64.34 61.81 2dlo n VAL 45 Cb 0.54 -0.05 -0.00 0.00 -1.47 0.00 0.00 33.84 32.85 2dlo n VAL 45 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2dlo n VAL 46 N -2.31 0.26 0.18 3.34 0.31 -1.26 -4.62 118.33 114.24 2dlo n VAL 46 Ca -0.07 0.44 0.07 0.00 -0.01 0.00 0.00 64.34 64.77 2dlo n VAL 46 Cb 0.63 -1.66 0.18 0.00 -0.91 0.00 0.00 33.84 32.09 2dlo n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dlo n HIS 48 N -3.22 -1.95 -4.21 0.00 -0.00 -1.23 -4.97 115.22 99.64 2dlo n HIS 48 Ca 0.02 0.75 -0.24 0.00 -0.00 0.00 0.00 57.72 58.25 2dlo n HIS 48 Cb 0.60 -4.24 -0.07 0.00 -0.00 0.00 0.00 29.99 26.28 2dlo n HIS 48 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2dlo s ARG 49 N -4.67 2.51 -0.42 -0.41 1.70 -1.26 -4.70 118.95 111.70 2dlo s ARG 49 Ca 0.18 -1.19 -0.29 0.00 -0.47 0.00 0.00 55.73 53.96 2dlo s ARG 49 Cb -0.02 -2.35 0.02 0.00 -0.57 0.00 0.00 34.95 32.02 2dlo s ARG 49 CO 0.62 0.41 1.24 0.20 -1.08 0.00 0.00 175.30 176.69 2dlo s GLY 50 N -3.40 1.27 -0.57 3.88 0.00 -1.26 -1.07 107.32 106.16 2dlo s GLY 50 Ca 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 2dlo s GLY 50 CO 0.21 2.54 2.02 1.04 0.00 0.00 0.00 173.10 178.90 2dlo n LEU 51 N 8.03 7.35 -4.35 0.66 4.77 -1.18 -4.83 117.00 127.46 2dlo n LEU 51 Ca 0.14 -4.01 -0.44 0.00 -0.03 0.00 0.00 56.01 51.67 2dlo n LEU 51 Cb 0.48 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 2dlo n LEU 51 CO 0.69 1.38 1.49 -0.90 -1.33 0.00 0.00 177.39 178.72 2dlo n ASP 52 N -0.65 5.22 0.00 -1.43 5.75 -1.26 -3.79 116.55 120.39 2dlo n ASP 52 Ca 0.55 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 2dlo n ASP 52 Cb 0.71 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 2dlo n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dlo n GLY 53 N 3.78 1.72 3.11 6.12 0.00 -1.26 -5.15 105.19 113.51 2dlo n GLY 53 Ca 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.31 2dlo n GLY 53 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dlo s ILE 54 N -1.72 0.19 0.29 -0.61 -4.36 -1.25 -5.14 121.20 108.60 2dlo s ILE 54 Ca 0.00 -1.76 -0.29 0.00 -0.26 0.00 0.00 60.65 58.34 2dlo s ILE 54 Cb 0.00 -1.59 -0.10 0.00 1.25 0.00 0.00 42.46 42.02 2dlo s ILE 54 CO 0.00 -0.87 1.24 -2.16 0.24 0.00 0.00 174.94 173.39 2dlo s PRO 55 N -3.94 4.45 0.33 0.37 0.04 -1.26 -4.99 135.00 130.01 2dlo s PRO 55 Ca 0.10 2.06 -0.08 0.00 0.04 0.00 0.00 61.00 63.11 2dlo s PRO 55 Cb 0.08 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.50 2dlo s PRO 55 CO -0.08 -0.08 0.56 -0.59 0.04 0.00 0.00 177.00 176.85 2dlo s PHE 56 N -0.88 0.65 -0.13 0.56 -0.12 -1.26 -4.17 117.98 112.62 2dlo s PHE 56 Ca 0.49 -1.03 -0.29 0.00 -0.05 0.00 0.00 56.93 56.06 2dlo s PHE 56 Cb -0.37 0.22 0.07 0.00 -0.63 0.00 0.00 43.02 42.32 2dlo s PHE 56 CO 0.46 -1.22 0.70 -0.08 -0.05 0.00 0.00 175.22 175.03 2dlo s THR 57 N -3.09 0.00 0.45 -4.49 -1.32 -1.14 -4.92 115.64 101.13 2dlo s THR 57 Ca 0.25 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.81 2dlo s THR 57 Cb -0.02 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.99 2dlo s THR 57 CO 0.15 0.00 0.55 0.68 -2.21 0.00 0.00 174.62 173.79 2dlo s VAL 58 N -0.62 2.70 0.28 5.08 -7.23 -1.26 0.10 120.40 119.45 2dlo s VAL 58 Ca -0.07 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 2dlo s VAL 58 Cb -0.02 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 2dlo s VAL 58 CO 0.07 0.00 0.05 -0.90 -0.31 0.00 0.00 175.10 174.01 2dlo n ASP 59 N -1.83 1.92 -0.34 4.85 5.75 -1.20 -4.88 116.55 120.80 2dlo n ASP 59 Ca 0.08 -2.38 0.18 0.00 -0.01 0.00 0.00 54.79 52.66 2dlo n ASP 59 Cb 0.60 0.46 0.39 0.00 -1.03 0.00 0.00 41.12 41.54 2dlo n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dlo h ALA 60 N 1.31 1.81 -0.38 2.12 0.00 -2.01 0.38 119.26 122.48 2dlo h ALA 60 Ca -0.23 0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 2dlo h ALA 60 Cb 0.78 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 2dlo h ALA 60 CO 0.37 -0.29 0.29 0.25 0.00 0.00 0.00 179.25 179.87 2dlo n THR 61 N -4.89 2.23 -3.33 0.00 -2.24 -1.26 -4.82 114.28 99.96 2dlo n THR 61 Ca 0.27 -1.07 -0.23 0.00 -2.27 0.00 0.00 64.05 60.75 2dlo n THR 61 Cb 0.76 -1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 2dlo n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dlo n SER 62 N 0.22 -1.25 -4.35 3.42 3.41 0.13 -4.81 113.62 110.39 2dlo n SER 62 Ca 0.23 -0.53 -0.45 0.00 -0.26 0.00 0.00 58.87 57.86 2dlo n SER 62 Cb 0.76 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 2dlo n SER 62 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dlo s GLN 63 N -5.35 3.04 -0.41 4.33 -0.21 -1.25 -4.79 119.66 115.02 2dlo s GLN 63 Ca 0.45 -1.46 -0.28 0.00 0.02 0.00 0.00 55.36 54.09 2dlo s GLN 63 Cb -0.26 -4.29 -0.07 0.00 1.00 0.00 0.00 33.01 29.39 2dlo s GLN 63 CO 0.55 -1.48 2.35 -0.89 -2.12 0.00 0.00 175.29 173.70 2dlo n ILE 64 N 5.43 0.09 -4.05 1.08 5.41 -1.26 -3.26 119.36 122.80 2dlo n ILE 64 Ca -0.10 -0.61 -0.35 0.00 1.00 0.00 0.00 62.75 62.69 2dlo n ILE 64 Cb 0.42 -2.54 -0.13 0.00 -0.71 0.00 0.00 39.64 36.68 2dlo n ILE 64 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2dlo s HIS 65 N 10.37 3.00 0.41 1.39 3.76 0.12 -3.04 115.29 131.30 2dlo s HIS 65 Ca 1.02 -0.60 -0.27 0.00 -0.15 0.00 0.00 55.06 55.06 2dlo s HIS 65 Cb -0.33 -2.08 -0.09 0.00 1.11 0.00 0.00 32.58 31.18 2dlo s HIS 65 CO 0.32 -0.33 1.41 0.00 -0.85 0.00 0.00 174.74 175.29 2dlo n ILE 67 N 0.15 -0.47 -0.21 0.00 2.08 -1.26 0.11 119.36 119.76 2dlo n ILE 67 Ca 0.03 1.70 -0.02 0.00 0.56 0.00 0.00 62.75 65.03 2dlo n ILE 67 Cb 0.41 -2.12 0.05 0.00 -0.75 0.00 0.00 39.64 37.24 2dlo n ILE 67 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2dlo h GLU 68 N 0.00 -0.05 0.12 0.38 4.39 -1.93 0.49 114.58 117.98 2dlo h GLU 68 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2dlo h GLU 68 Cb 0.30 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2dlo h GLU 68 CO -0.67 -0.03 -0.06 -0.44 -1.16 0.00 0.00 179.01 176.66 2dlo h ASP 69 N -0.05 -0.13 -0.99 1.42 5.19 0.27 -2.18 116.42 119.94 2dlo h ASP 69 Ca 0.29 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.85 2dlo h ASP 69 Cb 0.50 0.03 -0.15 0.00 0.18 0.00 0.00 39.33 39.89 2dlo h ASP 69 CO -0.67 0.01 -0.43 0.33 -3.12 0.00 0.00 179.24 175.36 2dlo n PHE 70 N -2.98 -0.07 0.27 4.55 7.35 0.31 0.23 117.46 127.11 2dlo n PHE 70 Ca -0.02 1.23 0.11 0.00 -0.76 0.00 0.00 57.45 58.01 2dlo n PHE 70 Cb 0.06 -0.81 0.73 0.00 0.35 0.00 0.00 39.48 39.82 2dlo n PHE 70 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2dlo h HIS 71 N 0.00 0.00 0.00 -5.13 3.86 -0.16 -2.49 115.15 111.23 2dlo h HIS 71 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2dlo h HIS 71 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2dlo h HIS 71 CO -0.90 0.08 -0.00 0.00 0.86 0.00 0.00 177.93 177.97 2dlo h ARG 72 N 0.00 0.00 -0.99 2.45 2.47 0.35 -0.26 114.38 118.40 2dlo h ARG 72 Ca -0.00 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.86 2dlo h ARG 72 Cb 0.19 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.36 2dlo h ARG 72 CO 0.01 0.00 -0.43 -0.22 0.56 0.00 0.00 179.97 179.89 2dlo h LYS 73 N -0.31 -0.00 -0.23 0.04 3.64 0.28 0.21 116.57 120.20 2dlo h LYS 73 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 2dlo h LYS 73 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2dlo h LYS 73 CO 0.00 -0.00 -0.60 0.74 -2.27 0.00 0.00 179.45 177.32 2dlo h PHE 74 N -0.00 1.05 -3.31 1.91 -1.00 -1.62 -3.39 116.94 110.58 2dlo h PHE 74 Ca 0.31 -0.41 -0.63 0.00 2.81 0.00 0.00 57.97 60.05 2dlo h PHE 74 Cb 0.56 -0.19 -0.41 0.00 3.61 0.00 0.00 35.95 39.52 2dlo h PHE 74 CO -0.91 1.23 -0.65 0.00 -1.61 0.00 0.00 178.31 176.38 2dlo s ALA 75 N -3.99 3.14 0.20 2.45 0.00 0.55 -4.97 121.76 119.14 2dlo s ALA 75 Ca -0.11 -3.18 -0.13 0.00 0.00 0.00 0.00 51.96 48.54 2dlo s ALA 75 Cb 0.09 -2.12 0.23 0.00 0.00 0.00 0.00 23.12 21.33 2dlo s ALA 75 CO 0.89 -2.03 1.65 0.66 0.00 0.00 0.00 175.76 176.93 2dlo h SER 76 N 6.50 -0.38 -4.52 0.00 4.64 -1.18 -3.30 113.55 115.30 2dlo h SER 76 Ca -0.06 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2dlo h SER 76 Cb 0.89 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dlo h SER 76 CO 0.66 -0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 2dlo n GLY 77 N -1.37 -0.07 3.55 -0.77 0.00 -1.26 -4.82 105.19 100.46 2dlo n GLY 77 Ca 0.07 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 2dlo n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlo s PRO 78 N -3.02 2.59 0.43 1.61 0.04 -1.26 -4.97 135.00 130.42 2dlo s PRO 78 Ca 0.00 0.22 -0.23 0.00 0.04 0.00 0.00 61.00 61.03 2dlo s PRO 78 Cb 0.00 -4.68 -0.08 0.00 0.04 0.00 0.00 34.50 29.78 2dlo s PRO 78 CO 0.00 -3.02 1.08 0.45 0.04 0.00 0.00 177.00 175.56 2dlo s SER 79 N 8.10 6.50 -0.20 6.66 0.15 -1.26 -5.05 113.70 128.60 2dlo s SER 79 Ca 0.69 2.10 -0.28 0.00 0.70 0.00 0.00 55.95 59.16 2dlo s SER 79 Cb -0.10 -2.59 0.13 0.00 -1.71 0.00 0.00 66.02 61.75 2dlo s SER 79 CO 0.11 -0.68 1.02 -0.55 1.20 0.00 0.00 173.24 174.34 2dlo s SER 80 N -1.57 -0.39 0.00 5.45 0.15 -1.26 -5.31 113.70 110.77 2dlo s SER 80 Ca 0.61 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2dlo s SER 80 Cb -0.23 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2dlo s SER 80 CO 0.28 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.06