#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7j h SER -1 N 0.00 0.48 -0.19 1.61 0.02 -2.06 -3.56 113.55 109.84 3d7j h SER -1 Ca 0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 3d7j h SER -1 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3d7j h SER -1 CO 0.00 1.44 0.00 0.00 -1.14 0.00 0.00 176.83 177.13 3d7j n HIS 0 N -4.08 -0.19 -4.06 3.45 -0.00 -1.26 -5.27 115.22 103.81 3d7j n HIS 0 Ca -0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.45 3d7j n HIS 0 Cb 0.85 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.73 3d7j n HIS 0 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3d7j s PHE 2 N -3.96 0.58 0.02 -1.40 0.40 0.12 -4.76 117.98 108.98 3d7j s PHE 2 Ca 0.00 -0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 55.64 3d7j s PHE 2 Cb 0.00 -0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.17 3d7j s PHE 2 CO 0.00 -0.14 0.18 -1.12 0.70 0.00 0.00 175.22 174.83 3d7j s SER 3 N -1.84 0.02 0.04 1.36 0.01 -1.26 -1.15 113.70 110.88 3d7j s SER 3 Ca -0.08 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3d7j s SER 3 Cb -0.07 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 3d7j s SER 3 CO -0.01 -0.46 -0.10 0.27 0.41 0.00 0.00 173.24 173.34 3d7j s ILE 4 N -1.93 0.78 -0.02 1.44 -5.25 -0.39 -4.98 121.20 110.86 3d7j s ILE 4 Ca -0.10 -1.01 0.04 0.00 -0.99 0.00 0.00 60.65 58.59 3d7j s ILE 4 Cb -0.04 -0.77 -0.01 0.00 2.95 0.00 0.00 42.46 44.59 3d7j s ILE 4 CO -0.01 -0.20 -0.15 -0.89 -1.79 0.00 0.00 174.94 171.90 3d7j s THR 5 N -1.08 1.23 0.04 8.37 2.01 -1.26 -0.44 115.64 124.51 3d7j s THR 5 Ca -0.04 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.37 3d7j s THR 5 Cb -0.09 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 3d7j s THR 5 CO 0.01 0.35 -0.18 0.68 -0.69 0.00 0.00 174.62 174.79 3d7j s VAL 6 N -0.22 1.43 -0.12 3.82 -7.23 -0.53 -4.96 120.40 112.60 3d7j s VAL 6 Ca 0.03 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3d7j s VAL 6 Cb -0.08 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 3d7j s VAL 6 CO 0.00 0.11 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.17 3d7j s ARG 7 N -1.17 3.26 0.13 4.82 3.52 -1.26 -0.98 118.95 127.27 3d7j s ARG 7 Ca 0.05 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 3d7j s ARG 7 Cb -0.08 -2.59 -0.00 0.00 -1.56 0.00 0.00 34.95 30.71 3d7j s ARG 7 CO 0.02 0.27 0.04 -3.47 -0.81 0.00 0.00 175.30 171.35 3d7j n ASP 8 N 3.36 1.21 -3.55 -2.12 -0.08 0.52 -4.98 116.55 110.91 3d7j n ASP 8 Ca -0.18 -1.68 -0.13 0.00 -1.51 0.00 0.00 54.79 51.29 3d7j n ASP 8 Cb 0.53 0.29 -0.05 0.00 2.34 0.00 0.00 41.12 44.23 3d7j n ASP 8 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 3d7j s HIS 9 N -1.96 -0.44 0.00 -0.67 -3.43 -1.26 -0.28 115.29 107.26 3d7j s HIS 9 Ca 0.06 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.75 3d7j s HIS 9 Cb 0.00 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 3d7j s HIS 9 CO 0.04 -0.69 0.00 0.44 -2.00 0.00 0.00 174.74 172.53 3d7j n ILE 10 N 0.23 0.00 0.00 -5.38 -5.35 -0.10 -4.94 119.36 103.81 3d7j n ILE 10 Ca -0.18 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3d7j n ILE 10 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 3d7j n ILE 10 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 3d7j n ILE 12 N 0.00 0.00 -4.19 7.28 -6.64 -0.52 -0.66 119.36 114.63 3d7j n ILE 12 Ca 0.00 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.68 3d7j n ILE 12 Cb 0.00 0.00 -0.09 0.00 -1.44 0.00 0.00 39.64 38.11 3d7j n ILE 12 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3d7j s ALA 13 N -2.00 3.08 0.18 -1.28 0.00 -0.44 -1.05 121.76 120.25 3d7j s ALA 13 Ca 0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.51 3d7j s ALA 13 Cb 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.19 3d7j s ALA 13 CO 0.00 0.65 0.95 -3.38 0.00 0.00 0.00 175.76 173.99 3d7j s HIS 14 N -1.28 -0.08 0.06 0.00 -3.43 -0.22 -0.34 115.29 110.00 3d7j s HIS 14 Ca 0.23 -0.27 -0.01 0.00 -0.80 0.00 0.00 55.06 54.22 3d7j s HIS 14 Cb -0.11 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.66 3d7j s HIS 14 CO 0.15 -0.91 -0.02 -1.54 -2.00 0.00 0.00 174.74 170.43 3d7j s SER 15 N -3.03 0.51 0.17 7.38 1.04 -1.26 -1.50 113.70 117.01 3d7j s SER 15 Ca 0.14 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.63 3d7j s SER 15 Cb -0.02 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 3d7j s SER 15 CO 0.04 -0.61 -0.10 -0.36 0.98 0.00 0.00 173.24 173.19 3d7j s PHE 16 N -3.92 2.64 -0.22 5.02 2.99 -0.51 -4.72 117.98 119.26 3d7j s PHE 16 Ca 0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 56.93 56.74 3d7j s PHE 16 Cb 0.08 -1.31 -0.03 0.00 0.00 0.00 0.00 43.02 41.76 3d7j s PHE 16 CO -0.08 0.49 0.05 0.50 -0.00 0.00 0.00 175.22 176.18 3d7j s ARG 17 N -2.71 3.75 0.00 0.44 3.52 -1.26 -4.15 118.95 118.54 3d7j s ARG 17 Ca 0.24 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 3d7j s ARG 17 Cb -0.09 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 3d7j s ARG 17 CO 0.15 -0.00 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 3d7j n GLY 18 N 4.36 4.24 0.30 8.12 0.00 -1.26 -4.93 105.19 116.01 3d7j n GLY 18 Ca -0.16 -1.16 0.19 0.00 0.00 0.00 0.00 46.02 44.89 3d7j n GLY 18 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3d7j h ASP 19 N 0.00 0.00 -0.12 1.61 3.04 -1.95 -2.36 116.42 116.65 3d7j h ASP 19 Ca 0.00 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.82 3d7j h ASP 19 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3d7j h ASP 19 CO 0.00 0.00 0.11 1.62 -2.04 0.00 0.00 179.24 178.93 3d7j h VAL 20 N 0.00 0.65 0.00 4.15 3.04 -2.00 -2.23 116.25 119.86 3d7j h VAL 20 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3d7j h VAL 20 Cb 0.28 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3d7j h VAL 20 CO 0.00 0.00 -0.20 0.49 -1.01 0.00 0.00 177.57 176.85 3d7j n PHE 21 N -4.07 0.23 0.00 3.17 3.72 -0.89 -4.99 117.46 114.63 3d7j n PHE 21 Ca -0.00 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3d7j n PHE 21 Cb 0.22 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 3d7j n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d7j n GLY 22 N 1.45 3.47 0.30 1.37 0.00 -0.84 -1.49 105.19 109.44 3d7j n GLY 22 Ca 0.06 0.18 0.19 0.00 0.00 0.00 0.00 46.02 46.45 3d7j n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d7j h PRO 23 N 0.00 0.00 0.00 1.61 0.13 -1.94 -2.15 132.00 129.65 3d7j h PRO 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3d7j h PRO 23 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3d7j h PRO 23 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 3d7j n ALA 24 N -2.09 2.11 0.27 -0.56 0.00 -0.56 -1.71 120.51 117.97 3d7j n ALA 24 Ca -0.01 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.48 3d7j n ALA 24 Cb 0.23 -1.31 0.70 0.00 0.00 0.00 0.00 19.45 19.07 3d7j n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3d7j h GLN 25 N 0.00 0.00 -7.21 0.00 4.20 -1.53 -1.34 115.11 109.23 3d7j h GLN 25 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 3d7j h GLN 25 Cb 0.09 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.90 3d7j h GLN 25 CO 0.00 0.07 0.38 1.03 -0.67 0.00 0.00 178.83 179.64 3d7j s ARG 26 N -3.80 3.70 -0.02 1.46 0.52 -0.69 -4.25 118.95 115.87 3d7j s ARG 26 Ca -0.00 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 3d7j s ARG 26 Cb 0.10 -2.10 -0.06 0.00 0.52 0.00 0.00 34.95 33.42 3d7j s ARG 26 CO 0.56 -0.48 1.58 -1.17 0.02 0.00 0.00 175.30 175.80 3d7j s LEU 27 N -4.30 4.32 0.00 2.53 2.96 -1.26 -4.47 118.68 118.46 3d7j s LEU 27 Ca 0.60 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 3d7j s LEU 27 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3d7j s LEU 27 CO 0.35 -0.86 0.00 0.00 -1.32 0.00 0.00 176.35 174.51 3d7j n HIS 28 N 6.38 -0.00 -3.71 5.38 1.44 -0.56 -4.99 115.22 119.15 3d7j n HIS 28 Ca 0.16 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.79 3d7j n HIS 28 Cb 0.43 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.54 3d7j n HIS 28 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3d7j n GLY 29 N 0.00 1.74 3.45 -1.39 0.00 -1.26 -1.06 105.19 106.67 3d7j n GLY 29 Ca 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 3d7j n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7j s ALA 30 N -2.05 -1.54 -0.25 4.61 0.00 -0.22 -4.93 121.76 117.38 3d7j s ALA 30 Ca 0.15 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 3d7j s ALA 30 Cb -0.02 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 3d7j s ALA 30 CO 0.11 -0.36 0.15 0.99 0.00 0.00 0.00 175.76 176.66 3d7j s THR 31 N -1.32 5.22 -0.24 0.00 2.01 -1.26 -1.44 115.64 118.60 3d7j s THR 31 Ca -0.11 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 3d7j s THR 31 Cb -0.01 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 3d7j s THR 31 CO 0.08 0.32 0.03 -0.36 -0.69 0.00 0.00 174.62 174.01 3d7j s PHE 32 N 1.27 3.05 0.06 4.92 0.08 0.17 -4.30 117.98 123.22 3d7j s PHE 32 Ca 0.07 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 3d7j s PHE 32 Cb -0.14 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 3d7j s PHE 32 CO 0.06 -0.40 1.15 -0.51 -0.10 0.00 0.00 175.22 175.43 3d7j s LEU 33 N 1.52 4.38 -0.25 -0.37 1.43 -0.62 -0.92 118.68 123.85 3d7j s LEU 33 Ca 0.06 1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 3d7j s LEU 33 Cb -0.15 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.53 3d7j s LEU 33 CO 0.02 -0.42 -0.08 -0.69 0.23 0.00 0.00 176.35 175.41 3d7j s VAL 34 N 0.96 2.70 -0.24 -1.59 1.01 0.62 -0.89 120.40 122.98 3d7j s VAL 34 Ca 0.57 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3d7j s VAL 34 Cb -0.28 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3d7j s VAL 34 CO 0.29 0.17 0.01 -1.81 0.00 0.00 0.00 175.10 173.76 3d7j s ASP 35 N 1.28 4.65 -0.23 3.32 1.01 0.13 -0.36 116.67 126.48 3d7j s ASP 35 Ca -0.01 -0.37 -0.06 0.00 0.71 0.00 0.00 52.55 52.81 3d7j s ASP 35 Cb -0.17 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 3d7j s ASP 35 CO -0.05 -0.04 0.04 0.00 0.21 0.00 0.00 175.17 175.33 3d7j s ALA 36 N 1.52 3.10 -0.17 5.23 0.00 -0.15 -1.25 121.76 130.04 3d7j s ALA 36 Ca 0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 3d7j s ALA 36 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 3d7j s ALA 36 CO -0.01 -0.36 -0.02 0.99 0.00 0.00 0.00 175.76 176.36 3d7j s THR 37 N 1.38 3.93 -0.13 0.00 2.01 0.74 -1.45 115.64 122.13 3d7j s THR 37 Ca 0.05 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 3d7j s THR 37 Cb -0.15 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 3d7j s THR 37 CO 0.02 0.47 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.93 3d7j s PHE 38 N 0.62 2.81 0.03 4.92 0.08 0.41 -1.04 117.98 125.81 3d7j s PHE 38 Ca -0.02 -0.62 0.07 0.00 0.12 0.00 0.00 56.93 56.48 3d7j s PHE 38 Cb -0.14 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3d7j s PHE 38 CO 0.02 -0.19 -0.17 1.03 -0.10 0.00 0.00 175.22 175.81 3d7j s ARG 39 N 0.30 2.13 0.10 0.44 0.52 -0.48 -1.26 118.95 120.70 3d7j s ARG 39 Ca -0.10 -0.95 -0.20 0.00 -0.52 0.00 0.00 55.73 53.96 3d7j s ARG 39 Cb -0.16 -2.22 0.05 0.00 0.52 0.00 0.00 34.95 33.14 3d7j s ARG 39 CO 0.05 0.55 0.50 -0.98 0.02 0.00 0.00 175.30 175.44 3d7j s ARG 40 N -1.40 1.11 0.13 3.54 1.70 -0.30 -0.18 118.95 123.54 3d7j s ARG 40 Ca 0.15 -0.47 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 3d7j s ARG 40 Cb -0.11 0.50 -0.14 0.00 -0.57 0.00 0.00 34.95 34.64 3d7j s ARG 40 CO 0.05 -0.44 1.28 0.93 -1.08 0.00 0.00 175.30 176.05 3d7j h GLU 41 N 2.43 0.18 -5.24 3.89 5.08 -1.85 0.38 114.58 119.46 3d7j h GLU 41 Ca -0.33 -0.25 -0.44 0.00 -1.00 0.00 0.00 59.36 57.34 3d7j h GLU 41 Cb 1.25 0.09 -0.26 0.00 0.50 0.00 0.00 28.75 30.33 3d7j h GLU 41 CO 0.42 1.05 -0.79 -0.65 -1.00 0.00 0.00 179.01 178.04 3d7j s GLN 42 N -2.94 0.95 0.53 2.33 -0.21 -1.26 -4.62 119.66 114.45 3d7j s GLN 42 Ca -0.02 -0.66 -0.20 0.00 0.02 0.00 0.00 55.36 54.49 3d7j s GLN 42 Cb 0.09 -0.94 -0.06 0.00 1.00 0.00 0.00 33.01 33.11 3d7j s GLN 42 CO 0.84 0.24 1.16 -0.51 -2.12 0.00 0.00 175.29 174.91 3d7j s LEU 43 N -0.89 3.80 0.00 2.90 1.43 -1.26 -4.93 118.68 119.72 3d7j s LEU 43 Ca 0.02 2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 3d7j s LEU 43 Cb -0.07 -4.50 0.15 0.00 0.03 0.00 0.00 46.19 41.80 3d7j s LEU 43 CO 0.01 -1.24 0.77 -0.90 0.23 0.00 0.00 176.35 175.22 3d7j n ASP 44 N -1.16 -0.33 0.14 2.29 5.68 -0.11 -4.83 116.55 118.23 3d7j n ASP 44 Ca 0.11 -1.20 0.12 0.00 -0.50 0.00 0.00 54.79 53.32 3d7j n ASP 44 Cb 0.50 -0.61 0.51 0.00 -1.14 0.00 0.00 41.12 40.37 3d7j n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3d7j n GLU 45 N -2.89 0.19 -0.02 0.11 1.02 -1.26 -0.78 120.64 117.01 3d7j n GLU 45 Ca 0.10 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.82 3d7j n GLU 45 Cb 0.35 -1.89 0.34 0.00 -0.02 0.00 0.00 31.44 30.22 3d7j n GLU 45 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3d7j n ASP 46 N -2.26 2.17 -0.32 1.62 8.00 -1.26 -4.95 116.55 119.55 3d7j n ASP 46 Ca 0.02 -1.73 -0.03 0.00 0.71 0.00 0.00 54.79 53.76 3d7j n ASP 46 Cb 0.20 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3d7j n ASP 46 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3d7j n ASN 47 N 0.69 -1.80 -4.37 -2.24 5.15 0.04 -5.05 115.26 107.68 3d7j n ASN 47 Ca 0.17 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.97 3d7j n ASN 47 Cb 0.46 -1.10 -0.10 0.00 -0.53 0.00 0.00 39.78 38.50 3d7j n ASN 47 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3d7j s ILE 48 N -2.14 1.13 0.00 -1.44 -4.36 -1.26 -4.82 121.20 108.32 3d7j s ILE 48 Ca 0.00 -2.04 -0.19 0.00 -0.26 0.00 0.00 60.65 58.16 3d7j s ILE 48 Cb 0.00 -2.47 -0.26 0.00 1.25 0.00 0.00 42.46 40.99 3d7j s ILE 48 CO 0.00 -0.24 1.06 0.58 0.24 0.00 0.00 174.94 176.58 3d7j h VAL 49 N 2.37 1.42 -1.87 8.37 2.07 -1.95 -0.26 116.25 126.40 3d7j h VAL 49 Ca -0.39 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 64.89 3d7j h VAL 49 Cb 1.23 2.72 -0.20 0.00 -1.52 0.00 0.00 31.29 33.52 3d7j h VAL 49 CO 0.66 0.65 0.31 0.54 0.02 0.00 0.00 177.57 179.75 3d7j s VAL 50 N -3.02 0.00 -0.23 2.57 0.11 -1.26 -4.82 120.40 113.74 3d7j s VAL 50 Ca -0.13 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3d7j s VAL 50 Cb 0.03 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.81 3d7j s VAL 50 CO 0.84 0.00 2.19 -0.67 -3.33 0.00 0.00 175.10 174.13 3d7j n ASP 51 N 0.81 3.02 0.01 3.54 -0.08 -1.26 -4.85 116.55 117.74 3d7j n ASP 51 Ca -0.16 0.33 -0.00 0.00 -1.51 0.00 0.00 54.79 53.45 3d7j n ASP 51 Cb 0.57 -1.47 0.30 0.00 2.34 0.00 0.00 41.12 42.86 3d7j n ASP 51 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3d7j h ILE 52 N 6.97 1.20 -0.28 5.18 1.08 -1.98 -0.57 117.51 129.10 3d7j h ILE 52 Ca -0.38 -0.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.30 3d7j h ILE 52 Cb 1.26 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 3d7j h ILE 52 CO 0.97 0.27 0.16 1.23 -0.69 0.00 0.00 178.15 180.10 3d7j h GLY 53 N 0.83 0.38 1.44 5.37 0.00 -1.99 0.12 103.07 109.22 3d7j h GLY 53 Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 3d7j h GLY 53 CO 0.01 0.11 -0.44 1.41 0.00 0.00 0.00 176.54 177.63 3d7j h LEU 54 N 0.33 0.65 -0.27 3.11 3.38 -1.85 -1.81 115.31 118.85 3d7j h LEU 54 Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3d7j h LEU 54 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3d7j h LEU 54 CO -0.05 1.00 0.14 0.00 0.09 0.00 0.00 178.44 179.62 3d7j h ALA 55 N 1.03 0.35 -0.30 1.53 0.00 -0.73 0.13 119.26 121.27 3d7j h ALA 55 Ca 0.03 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3d7j h ALA 55 Cb 0.96 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3d7j h ALA 55 CO 0.09 -0.10 -0.46 1.79 0.00 0.00 0.00 179.25 180.56 3d7j h THR 56 N 0.32 1.29 -0.04 0.00 1.35 -1.01 -0.31 112.91 114.50 3d7j h THR 56 Ca 0.10 -1.65 0.01 0.00 -0.55 0.00 0.00 66.41 64.31 3d7j h THR 56 Cb 0.09 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 3d7j h THR 56 CO -0.01 0.53 -0.00 -0.61 -0.25 0.00 0.00 175.52 175.18 3d7j h GLN 57 N 0.62 0.01 -0.26 4.72 4.15 -1.15 0.75 115.11 123.95 3d7j h GLN 57 Ca 0.04 -0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 3d7j h GLN 57 Cb 1.03 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3d7j h GLN 57 CO 0.10 0.01 -0.43 0.93 -1.93 0.00 0.00 178.83 177.50 3d7j h GLU 58 N 0.01 0.65 -0.53 1.69 4.39 -0.69 -0.79 114.58 119.32 3d7j h GLU 58 Ca 0.02 -0.35 -0.04 0.00 0.34 0.00 0.00 59.36 59.33 3d7j h GLU 58 Cb 0.02 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3d7j h GLU 58 CO -0.03 0.96 0.18 1.25 -1.16 0.00 0.00 179.01 180.21 3d7j h LEU 59 N 0.53 0.77 -0.85 1.33 5.85 -1.01 -1.65 115.31 120.27 3d7j h LEU 59 Ca 0.04 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3d7j h LEU 59 Cb 0.97 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 3d7j h LEU 59 CO 0.09 0.76 0.52 1.23 -0.34 0.00 0.00 178.44 180.70 3d7j h GLY 60 N 0.73 1.29 1.25 3.75 0.00 -0.54 -1.33 103.07 108.22 3d7j h GLY 60 Ca 0.17 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 3d7j h GLY 60 CO -0.01 0.24 -0.32 0.00 0.00 0.00 0.00 176.54 176.46 3d7j h ALA 61 N 1.41 0.72 0.42 3.60 0.00 -0.93 0.50 119.26 124.99 3d7j h ALA 61 Ca 0.38 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3d7j h ALA 61 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3d7j h ALA 61 CO -0.18 0.66 -0.20 0.28 0.00 0.00 0.00 179.25 179.80 3d7j h VAL 62 N 0.71 0.54 0.00 0.00 2.07 -0.86 -3.18 116.25 115.52 3d7j h VAL 62 Ca 0.08 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3d7j h VAL 62 Cb 0.87 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3d7j h VAL 62 CO 0.08 0.07 -0.26 -0.37 0.02 0.00 0.00 177.57 177.10 3d7j h VAL 63 N -0.81 0.61 -0.09 2.57 -1.51 -1.30 -2.99 116.25 112.74 3d7j h VAL 63 Ca -0.06 -1.27 0.02 0.00 -1.23 0.00 0.00 66.70 64.17 3d7j h VAL 63 Cb 0.54 1.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3d7j h VAL 63 CO 0.10 0.26 0.06 1.23 -1.23 0.00 0.00 177.57 177.99 3d7j h GLY 64 N 2.26 0.00 2.00 5.19 0.00 -0.87 -0.10 103.07 111.55 3d7j h GLY 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d7j h GLY 64 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 3d7j h ALA 65 N 1.96 1.00 0.00 3.60 0.00 -1.53 -3.19 119.26 121.10 3d7j h ALA 65 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3d7j h ALA 65 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d7j h ALA 65 CO -0.00 0.00 -1.64 1.28 0.00 0.00 0.00 179.25 178.89 3d7j n LEU 66 N -2.32 0.00 -4.77 0.00 4.77 -0.15 -5.02 117.00 109.51 3d7j n LEU 66 Ca 0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.61 3d7j n LEU 66 Cb 0.23 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3d7j n LEU 66 CO 0.20 0.03 0.87 0.21 -1.33 0.00 0.00 177.39 177.37 3d7j s ASN 67 N -3.66 6.54 -1.39 -1.43 2.47 -0.59 -3.43 114.94 113.45 3d7j s ASN 67 Ca -0.05 2.42 -0.09 0.00 0.42 0.00 0.00 52.86 55.56 3d7j s ASN 67 Cb 0.08 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.29 3d7j s ASN 67 CO 0.56 -0.67 1.06 -1.22 -3.72 0.00 0.00 177.10 173.11 3d7j n TYR 68 N 0.20 -2.54 -4.12 0.43 4.01 -1.26 -5.00 117.16 108.89 3d7j n TYR 68 Ca 0.04 0.96 -0.15 0.00 -0.16 0.00 0.00 57.90 58.58 3d7j n TYR 68 Cb 0.45 -4.67 -0.11 0.00 -0.31 0.00 0.00 39.34 34.70 3d7j n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3d7j s ARG 69 N -6.26 0.69 -0.48 -0.72 0.52 -1.22 -5.03 118.95 106.45 3d7j s ARG 69 Ca 0.49 -0.91 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 3d7j s ARG 69 Cb -0.23 -0.51 0.03 0.00 0.52 0.00 0.00 34.95 34.76 3d7j s ARG 69 CO 0.77 0.10 0.91 1.21 0.02 0.00 0.00 175.30 178.31 3d7j s ASN 70 N -1.82 6.46 0.58 0.23 3.84 -1.26 -1.32 114.94 121.65 3d7j s ASN 70 Ca -0.04 0.01 0.36 0.00 0.21 0.00 0.00 52.86 53.41 3d7j s ASN 70 Cb -0.08 -2.44 1.63 0.00 -0.55 0.00 0.00 41.25 39.81 3d7j s ASN 70 CO 0.01 -1.07 2.08 -0.07 -2.79 0.00 0.00 177.10 175.26 3d7j h LEU 71 N 10.60 0.00 -2.23 3.21 3.38 -1.05 -2.00 115.31 127.22 3d7j h LEU 71 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3d7j h LEU 71 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3d7j h LEU 71 CO 1.03 0.00 0.00 0.44 0.09 0.00 0.00 178.44 180.00 3d7j h ASP 72 N 0.00 0.00 -0.27 -0.43 5.19 -1.92 -2.27 116.42 116.72 3d7j h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3d7j h ASP 72 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3d7j h ASP 72 CO 0.00 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.71 3d7j n ASN 73 N -2.83 3.32 -4.62 6.45 3.02 -0.75 -4.96 115.26 114.90 3d7j n ASN 73 Ca -0.02 -2.56 -0.39 0.00 -0.03 0.00 0.00 54.58 51.58 3d7j n ASN 73 Cb 0.11 -0.38 -0.09 0.00 -0.61 0.00 0.00 39.78 38.81 3d7j n ASN 73 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3d7j s GLU 74 N -2.00 4.05 0.38 3.52 0.41 -0.86 -4.97 118.70 119.23 3d7j s GLU 74 Ca 0.32 0.07 0.10 0.00 -0.41 0.00 0.00 54.97 55.05 3d7j s GLU 74 Cb 0.23 -3.63 0.87 0.00 -1.78 0.00 0.00 34.13 29.82 3d7j s GLU 74 CO 0.11 -0.23 1.93 -1.35 -0.49 0.00 0.00 175.26 175.23 3d7j h PRO 75 N 8.00 0.60 -0.09 0.39 0.11 -1.93 -2.07 132.00 137.01 3d7j h PRO 75 Ca -0.32 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.78 3d7j h PRO 75 Cb 1.16 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3d7j h PRO 75 CO 0.66 0.39 0.10 -0.44 -0.21 0.00 0.00 178.00 178.50 3d7j h ASP 76 N 0.61 0.00 -0.11 -2.05 3.32 -1.95 -2.53 116.42 113.72 3d7j h ASP 76 Ca 0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 3d7j h ASP 76 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3d7j h ASP 76 CO -0.13 0.00 -0.03 0.49 -1.72 0.00 0.00 179.24 177.85 3d7j n PHE 77 N -3.89 0.38 -1.68 4.55 0.99 -0.79 -5.04 117.46 111.98 3d7j n PHE 77 Ca -0.01 -1.02 -0.45 0.00 -0.00 0.00 0.00 57.45 55.97 3d7j n PHE 77 Cb 0.20 -0.23 -0.04 0.00 -1.00 0.00 0.00 39.48 38.41 3d7j n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3d7j n ALA 78 N -1.09 1.64 -0.97 4.37 0.00 -0.96 -2.18 120.51 121.33 3d7j n ALA 78 Ca 0.19 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3d7j n ALA 78 Cb 0.75 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3d7j n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d7j n GLY 79 N 3.84 0.68 3.31 0.00 0.00 -1.26 -5.01 105.19 106.75 3d7j n GLY 79 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3d7j n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d7j s VAL 80 N -2.84 2.08 -0.21 1.61 1.01 -0.92 -5.10 120.40 116.02 3d7j s VAL 80 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 3d7j s VAL 80 Cb 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3d7j s VAL 80 CO 0.00 0.58 1.50 0.20 0.00 0.00 0.00 175.10 177.38 3d7j s ASN 81 N -0.56 6.56 -1.49 3.32 0.01 -1.26 -4.92 114.94 116.60 3d7j s ASN 81 Ca 0.08 1.61 -0.08 0.00 -0.71 0.00 0.00 52.86 53.76 3d7j s ASN 81 Cb -0.10 -2.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 3d7j s ASN 81 CO -0.00 -1.11 2.72 0.35 -1.51 0.00 0.00 177.10 177.55 3d7j n THR 82 N 6.11 4.72 -0.90 1.60 -2.24 -1.26 -4.85 114.28 117.45 3d7j n THR 82 Ca 0.17 -3.32 -0.32 0.00 -2.27 0.00 0.00 64.05 58.31 3d7j n THR 82 Cb 0.45 -2.38 0.14 0.00 -2.10 0.00 0.00 70.33 66.44 3d7j n THR 82 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d7j s SER 83 N 1.40 3.37 0.20 3.42 1.04 -1.26 -4.78 113.70 117.09 3d7j s SER 83 Ca 0.63 2.16 -0.10 0.00 0.48 0.00 0.00 55.95 59.12 3d7j s SER 83 Cb 0.18 -2.56 0.25 0.00 0.10 0.00 0.00 66.02 63.99 3d7j s SER 83 CO -0.08 -2.81 1.75 0.74 0.98 0.00 0.00 173.24 173.83 3d7j h THR 84 N -1.50 0.79 -0.40 2.02 2.02 -1.97 0.02 112.91 113.89 3d7j h THR 84 Ca -0.44 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.49 3d7j h THR 84 Cb 1.27 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3d7j h THR 84 CO 0.44 0.07 -0.21 1.05 0.37 0.00 0.00 175.52 177.25 3d7j h GLU 85 N 0.41 0.79 -0.37 6.66 9.09 -1.91 -0.87 114.58 128.37 3d7j h GLU 85 Ca 0.29 -0.31 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 3d7j h GLU 85 Cb 0.34 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.39 3d7j h GLU 85 CO -0.29 0.93 0.18 0.35 0.05 0.00 0.00 179.01 180.23 3d7j h PHE 86 N 0.69 0.53 -0.34 2.06 3.57 -1.72 -2.99 116.94 118.74 3d7j h PHE 86 Ca 0.10 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3d7j h PHE 86 Cb 0.72 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3d7j h PHE 86 CO 0.04 0.44 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.42 3d7j h LEU 87 N 0.46 0.54 -0.60 0.59 3.38 -0.77 -2.04 115.31 116.86 3d7j h LEU 87 Ca 0.13 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3d7j h LEU 87 Cb 0.11 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3d7j h LEU 87 CO -0.02 0.65 0.25 0.00 0.09 0.00 0.00 178.44 179.41 3d7j h ALA 88 N 1.41 0.78 -0.55 1.53 0.00 -1.02 -0.87 119.26 120.54 3d7j h ALA 88 Ca 0.10 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3d7j h ALA 88 Cb 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3d7j h ALA 88 CO 0.02 -0.16 -0.11 -0.22 0.00 0.00 0.00 179.25 178.78 3d7j h LYS 89 N 0.44 1.03 -0.25 0.00 3.64 -1.32 -0.50 116.57 119.62 3d7j h LYS 89 Ca 0.30 -0.38 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3d7j h LYS 89 Cb 0.34 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3d7j h LYS 89 CO -0.28 1.07 -0.01 0.28 -2.27 0.00 0.00 179.45 178.24 3d7j h VAL 90 N 0.92 0.81 -0.37 2.00 2.07 -0.88 0.15 116.25 120.95 3d7j h VAL 90 Ca 0.14 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3d7j h VAL 90 Cb 0.68 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3d7j h VAL 90 CO 0.05 0.01 -0.08 0.40 0.02 0.00 0.00 177.57 177.97 3d7j h ILE 91 N 0.06 1.27 -0.36 4.57 2.04 -1.08 -2.01 117.51 122.00 3d7j h ILE 91 Ca 0.12 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.89 3d7j h ILE 91 Cb 0.16 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3d7j h ILE 91 CO -0.21 0.38 0.09 0.00 0.00 0.00 0.00 178.15 178.41 3d7j h ALA 92 N 0.83 0.40 -0.48 1.87 0.00 -0.81 -0.88 119.26 120.19 3d7j h ALA 92 Ca 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3d7j h ALA 92 Cb 0.58 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3d7j h ALA 92 CO 0.03 -0.31 -0.06 -0.44 0.00 0.00 0.00 179.25 178.48 3d7j h ASP 93 N 0.23 0.83 -0.20 0.00 3.32 -0.60 -0.65 116.42 119.35 3d7j h ASP 93 Ca 0.17 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 3d7j h ASP 93 Cb 0.18 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3d7j h ASP 93 CO -0.20 0.93 -0.37 0.03 -1.72 0.00 0.00 179.24 177.90 3d7j h ARG 94 N 0.78 0.73 -0.61 3.56 3.08 -1.17 -1.60 114.38 119.15 3d7j h ARG 94 Ca 0.14 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 3d7j h ARG 94 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3d7j h ARG 94 CO 0.03 0.98 0.21 -0.07 -1.07 0.00 0.00 179.97 180.06 3d7j h LEU 95 N 0.60 0.87 -0.53 3.04 3.38 -0.89 -2.45 115.31 119.33 3d7j h LEU 95 Ca 0.06 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3d7j h LEU 95 Cb 0.91 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3d7j h LEU 95 CO 0.08 0.83 0.30 0.00 0.09 0.00 0.00 178.44 179.74 3d7j h ALA 96 N 1.07 0.69 -0.92 1.53 0.00 -0.94 -0.25 119.26 120.45 3d7j h ALA 96 Ca 0.20 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3d7j h ALA 96 Cb 0.25 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3d7j h ALA 96 CO -0.01 -0.00 0.59 1.49 0.00 0.00 0.00 179.25 181.32 3d7j h GLU 97 N 0.60 1.09 -0.50 0.00 4.81 -1.17 0.22 114.58 119.63 3d7j h GLU 97 Ca 0.22 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3d7j h GLU 97 Cb 0.06 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3d7j h GLU 97 CO -0.12 0.72 -0.14 0.00 -0.73 0.00 0.00 179.01 178.75 3d7j h ARG 98 N 1.13 0.95 -0.39 1.92 3.08 -0.89 -2.03 114.38 118.15 3d7j h ARG 98 Ca 0.37 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3d7j h ARG 98 Cb 0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3d7j h ARG 98 CO -0.14 1.02 0.25 0.28 -1.07 0.00 0.00 179.97 180.31 3d7j h VAL 99 N 0.84 1.07 0.00 2.04 2.07 -0.34 -1.31 116.25 120.63 3d7j h VAL 99 Ca 0.13 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3d7j h VAL 99 Cb 0.69 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3d7j h VAL 99 CO 0.05 0.09 0.00 0.45 0.02 0.00 0.00 177.57 178.18 3d7j h HIS 100 N 0.50 0.00 -0.37 1.57 3.86 -0.76 -1.55 115.15 118.39 3d7j h HIS 100 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3d7j h HIS 100 Cb -0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 3d7j h HIS 100 CO -0.06 0.00 0.00 0.36 0.86 0.00 0.00 177.93 179.09 3d7j n LYS 101 N -2.49 2.42 -0.68 2.45 2.85 -0.78 -4.96 118.16 116.97 3d7j n LYS 101 Ca 0.01 -2.15 0.00 0.00 -1.05 0.00 0.00 58.31 55.13 3d7j n LYS 101 Cb 0.24 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 3d7j n LYS 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d7j n GLY 102 N 1.47 0.69 0.21 2.58 0.00 -0.58 -4.95 105.19 104.59 3d7j n GLY 102 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 3d7j n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7j h ALA 103 N 0.00 1.00 -0.49 4.61 0.00 -1.43 -1.95 119.26 121.00 3d7j h ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d7j h ALA 103 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d7j h ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3d7j n LEU 104 N -2.68 4.51 0.00 0.00 4.32 -1.26 -4.92 117.00 116.97 3d7j n LEU 104 Ca 0.02 -2.65 0.00 0.00 -0.02 0.00 0.00 56.01 53.36 3d7j n LEU 104 Cb 0.28 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 3d7j n LEU 104 CO 0.24 0.73 0.00 0.61 -1.22 0.00 0.00 177.39 177.75 3d7j n GLY 105 N 0.50 2.23 0.32 -0.72 0.00 -0.73 -4.33 105.19 102.46 3d7j n GLY 105 Ca 0.23 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.51 3d7j n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d7j h GLU 106 N 0.00 0.64 -0.22 1.61 4.39 -1.96 -1.82 114.58 117.22 3d7j h GLU 106 Ca 0.00 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.70 3d7j h GLU 106 Cb 0.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3d7j h GLU 106 CO 0.00 0.43 0.15 0.78 -1.16 0.00 0.00 179.01 179.21 3d7j h GLY 107 N 0.66 0.15 2.00 -3.84 0.00 -1.96 -2.29 103.07 97.79 3d7j h GLY 107 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3d7j h GLY 107 CO -0.05 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3d7j h ALA 108 N 1.88 1.00 0.00 3.60 0.00 -1.52 -1.05 119.26 123.18 3d7j h ALA 108 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d7j h ALA 108 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3d7j h ALA 108 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3d7j h ARG 109 N 0.00 0.00 -0.01 0.00 3.08 -1.53 -1.82 114.38 114.09 3d7j h ARG 109 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d7j h ARG 109 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3d7j h ARG 109 CO 0.00 0.00 -0.03 0.41 -1.07 0.00 0.00 179.97 179.28 3d7j n GLY 110 N -0.55 -0.22 3.75 0.04 0.00 -0.40 -4.93 105.19 102.88 3d7j n GLY 110 Ca -0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 3d7j n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d7j n LEU 111 N -0.09 5.44 0.03 0.99 4.77 -0.69 -4.75 117.00 122.70 3d7j n LEU 111 Ca 0.19 1.01 -0.11 0.00 -0.03 0.00 0.00 56.01 57.07 3d7j n LEU 111 Cb 0.32 -1.58 -0.13 0.00 -2.33 0.00 0.00 43.42 39.69 3d7j n LEU 111 CO 0.18 -0.49 -0.25 0.00 -1.33 0.00 0.00 177.39 175.50 3d7j h ALA 112 N 1.62 0.48 -2.07 -1.18 0.00 -0.89 -3.42 119.26 113.80 3d7j h ALA 112 Ca -0.51 -1.17 0.38 0.00 0.00 0.00 0.00 54.91 53.61 3d7j h ALA 112 Cb 1.30 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 3d7j h ALA 112 CO 0.58 1.34 0.96 0.41 0.00 0.00 0.00 179.25 182.54 3d7j n GLY 113 N 1.52 0.14 2.95 0.00 0.00 -1.19 -1.91 105.19 106.71 3d7j n GLY 113 Ca -0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 3d7j n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7j s LEU 114 N 0.00 2.17 -0.02 0.99 1.43 -0.28 -1.39 118.68 121.57 3d7j s LEU 114 Ca 0.31 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3d7j s LEU 114 Cb -0.00 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.26 3d7j s LEU 114 CO -0.02 -0.20 -0.09 -0.89 0.23 0.00 0.00 176.35 175.39 3d7j s THR 115 N -1.00 0.77 -0.10 5.49 2.01 -0.21 -1.11 115.64 121.49 3d7j s THR 115 Ca -0.11 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3d7j s THR 115 Cb -0.07 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 3d7j s THR 115 CO -0.01 0.24 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.27 3d7j s VAL 116 N 0.18 2.42 -0.10 3.82 1.01 -0.22 -0.18 120.40 127.33 3d7j s VAL 116 Ca -0.03 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3d7j s VAL 116 Cb -0.08 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.35 3d7j s VAL 116 CO 0.00 0.55 -0.21 -0.89 0.00 0.00 0.00 175.10 174.56 3d7j s THR 117 N 0.21 1.84 -0.14 3.92 2.01 -0.38 -0.74 115.64 122.36 3d7j s THR 117 Ca -0.13 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 3d7j s THR 117 Cb -0.16 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3d7j s THR 117 CO 0.07 0.51 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 3d7j s LEU 118 N 0.54 2.85 -0.29 4.42 1.02 0.78 -0.69 118.68 127.30 3d7j s LEU 118 Ca -0.15 -0.29 -0.08 0.00 0.02 0.00 0.00 54.13 53.63 3d7j s LEU 118 Cb -0.17 -1.66 -0.00 0.00 0.02 0.00 0.00 46.19 44.38 3d7j s LEU 118 CO 0.05 0.15 0.10 -1.00 0.02 0.00 0.00 176.35 175.67 3d7j s HIS 119 N 0.46 3.14 -0.24 0.29 3.76 -0.07 -0.53 115.29 122.11 3d7j s HIS 119 Ca -0.08 -0.78 0.21 0.00 -0.15 0.00 0.00 55.06 54.27 3d7j s HIS 119 Cb -0.15 -2.28 0.03 0.00 1.11 0.00 0.00 32.58 31.29 3d7j s HIS 119 CO 0.04 -0.51 1.11 1.05 -0.85 0.00 0.00 174.74 175.58 3d7j h GLU 120 N 8.27 0.00 0.00 1.40 4.11 -1.49 -1.64 114.58 125.23 3d7j h GLU 120 Ca -0.33 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.11 3d7j h GLU 120 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3d7j h GLU 120 CO 0.60 0.08 0.10 -1.13 0.07 0.00 0.00 179.01 178.74 3d7j n SER 121 N -2.81 -0.61 0.00 3.06 3.41 -1.12 -4.51 113.62 111.04 3d7j n SER 121 Ca -0.01 -1.40 0.11 0.00 -0.26 0.00 0.00 58.87 57.31 3d7j n SER 121 Cb 0.61 1.01 0.52 0.00 -0.26 0.00 0.00 64.21 66.09 3d7j n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d7j n HIS 122 N -0.17 0.00 -0.44 7.33 1.44 -1.26 -3.85 115.22 118.27 3d7j n HIS 122 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3d7j n HIS 122 Cb 0.17 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 29.85 3d7j n HIS 122 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3d7j n VAL 123 N -1.43 0.36 -3.71 0.61 0.24 -1.26 -5.03 118.33 108.11 3d7j n VAL 123 Ca 0.07 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 3d7j n VAL 123 Cb 0.24 0.98 -0.12 0.00 -1.47 0.00 0.00 33.84 33.47 3d7j n VAL 123 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d7j s ALA 124 N -0.36 -0.80 0.15 2.33 0.00 -1.25 -5.12 121.76 116.72 3d7j s ALA 124 Ca 0.00 1.24 -0.06 0.00 0.00 0.00 0.00 51.96 53.14 3d7j s ALA 124 Cb 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 3d7j s ALA 124 CO 0.00 -0.23 0.22 1.67 0.00 0.00 0.00 175.76 177.42 3d7j s TRP 125 N 1.28 0.54 0.06 0.00 -2.14 -1.26 -1.63 118.94 115.79 3d7j s TRP 125 Ca -0.09 -0.91 -0.06 0.00 2.66 0.00 0.00 56.10 57.70 3d7j s TRP 125 Cb -0.09 -0.19 -0.01 0.00 -3.10 0.00 0.00 33.47 30.08 3d7j s TRP 125 CO -0.10 -0.66 0.10 0.00 -2.66 0.00 0.00 176.95 173.63 3d7j s ALA 126 N -3.99 0.01 0.06 2.67 0.00 0.31 -4.98 121.76 115.84 3d7j s ALA 126 Ca 0.19 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 3d7j s ALA 126 Cb 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 3d7j s ALA 126 CO 0.01 -0.40 0.12 -1.54 0.00 0.00 0.00 175.76 173.95 3d7j s SER 127 N -2.59 0.20 -0.04 0.00 1.04 -1.26 -0.16 113.70 110.89 3d7j s SER 127 Ca 0.02 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.80 3d7j s SER 127 Cb 0.03 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.45 3d7j s SER 127 CO -0.08 -0.63 -0.04 -0.47 0.98 0.00 0.00 173.24 172.99 3d7j s TYR 128 N -3.43 0.70 -0.07 5.02 5.04 0.08 -4.94 117.35 119.75 3d7j s TYR 128 Ca 0.02 -0.18 0.04 0.00 -2.44 0.00 0.00 57.07 54.51 3d7j s TYR 128 Cb 0.03 -0.62 -0.02 0.00 0.35 0.00 0.00 41.96 41.71 3d7j s TYR 128 CO -0.08 -0.17 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.56 3d7j s GLU 129 N 0.82 2.72 0.09 4.97 2.02 -1.26 -1.06 118.70 127.01 3d7j s GLU 129 Ca -0.11 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 54.03 3d7j s GLU 129 Cb -0.14 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 3d7j s GLU 129 CO 0.00 0.42 0.14 -0.98 0.02 0.00 0.00 175.26 174.86 3d7j s ARG 130 N -0.23 0.84 0.59 1.61 1.70 -0.26 -5.01 118.95 118.18 3d7j s ARG 130 Ca -0.00 -1.09 -0.13 0.00 -0.47 0.00 0.00 55.73 54.03 3d7j s ARG 130 Cb -0.13 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 3d7j s ARG 130 CO 0.03 -0.25 1.02 0.00 -1.08 0.00 0.00 175.30 175.02 3d7j s ALA 131 N -3.91 3.04 -0.88 7.88 0.00 -1.26 -1.13 121.76 125.50 3d7j s ALA 131 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.15 3d7j s ALA 131 Cb 0.06 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 20.13 3d7j s ALA 131 CO -0.08 -0.59 0.72 1.28 0.00 0.00 0.00 175.76 177.09