#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7j n HIS 0 N 0.00 -0.33 -4.08 0.66 -0.00 -1.26 -5.26 115.22 104.94 3d7j n HIS 0 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 3d7j n HIS 0 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 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 -4.30 0.68 0.05 -1.40 0.40 0.23 -4.71 117.98 108.94 3d7j s PHE 2 Ca 0.00 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.57 3d7j s PHE 2 Cb 0.00 -0.41 0.02 0.00 0.51 0.00 0.00 43.02 43.14 3d7j s PHE 2 CO 0.00 -0.13 0.27 -1.54 0.70 0.00 0.00 175.22 174.53 3d7j s SER 3 N -2.00 -0.07 0.05 1.36 1.04 -1.26 -0.97 113.70 111.86 3d7j s SER 3 Ca -0.04 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.15 3d7j s SER 3 Cb -0.05 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 3d7j s SER 3 CO -0.02 -0.63 -0.14 -0.51 0.98 0.00 0.00 173.24 172.92 3d7j s ILE 4 N -2.76 1.11 -0.05 -1.02 1.10 -0.60 -4.98 121.20 114.01 3d7j s ILE 4 Ca -0.03 -1.14 0.03 0.00 -0.51 0.00 0.00 60.65 59.00 3d7j s ILE 4 Cb -0.00 -1.04 0.00 0.00 0.15 0.00 0.00 42.46 41.57 3d7j s ILE 4 CO -0.05 -0.10 -0.13 -0.89 -2.11 0.00 0.00 174.94 171.66 3d7j s THR 5 N -1.04 1.16 0.03 4.00 2.01 -1.26 -0.23 115.64 120.30 3d7j s THR 5 Ca -0.00 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.55 3d7j s THR 5 Cb -0.09 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3d7j s THR 5 CO 0.02 0.35 -0.25 0.68 -0.69 0.00 0.00 174.62 174.72 3d7j s VAL 6 N 0.31 2.04 -0.13 3.82 -7.23 -0.56 -4.95 120.40 113.70 3d7j s VAL 6 Ca -0.08 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 3d7j s VAL 6 Cb -0.12 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 3d7j s VAL 6 CO 0.02 0.40 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.53 3d7j s ARG 7 N -1.06 3.39 0.11 4.82 3.52 -1.26 -1.00 118.95 127.47 3d7j s ARG 7 Ca 0.11 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 3d7j s ARG 7 Cb -0.10 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.54 3d7j s ARG 7 CO 0.01 0.31 0.04 -3.47 -0.81 0.00 0.00 175.30 171.38 3d7j n ASP 8 N 3.28 1.14 -3.54 -2.12 -0.08 0.37 -4.97 116.55 110.62 3d7j n ASP 8 Ca -0.18 -1.57 -0.14 0.00 -1.51 0.00 0.00 54.79 51.39 3d7j n ASP 8 Cb 0.53 0.26 -0.05 0.00 2.34 0.00 0.00 41.12 44.19 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 -1.90 -0.47 0.00 -0.67 -3.43 -1.26 -0.25 115.29 107.31 3d7j s HIS 9 Ca 0.05 0.53 0.00 0.00 -0.80 0.00 0.00 55.06 54.84 3d7j s HIS 9 Cb 0.00 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.54 3d7j s HIS 9 CO 0.04 -0.68 0.00 0.44 -2.00 0.00 0.00 174.74 172.54 3d7j n ILE 10 N 0.33 0.00 0.00 -5.38 -5.35 -0.50 -4.95 119.36 103.51 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 -4.20 7.28 -6.64 -0.38 -0.82 119.36 114.60 3d7j n ILE 12 Ca 0.00 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.69 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 3.12 0.04 -1.28 0.00 -0.30 -1.17 121.76 120.18 3d7j s ALA 13 Ca 0.00 -1.26 -0.28 0.00 0.00 0.00 0.00 51.96 50.41 3d7j s ALA 13 Cb 0.00 -0.99 0.09 0.00 0.00 0.00 0.00 23.12 22.22 3d7j s ALA 13 CO 0.00 0.60 1.06 -3.38 0.00 0.00 0.00 175.76 174.04 3d7j s HIS 14 N -1.43 -0.15 0.11 0.00 -3.43 0.03 -0.38 115.29 110.04 3d7j s HIS 14 Ca 0.25 -0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.48 3d7j s HIS 14 Cb -0.11 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 3d7j s HIS 14 CO 0.17 -0.56 -0.06 -1.54 -2.00 0.00 0.00 174.74 170.74 3d7j s SER 15 N -2.79 1.18 0.18 7.38 1.04 -1.26 -0.88 113.70 118.54 3d7j s SER 15 Ca 0.11 -1.02 0.09 0.00 0.48 0.00 0.00 55.95 55.61 3d7j s SER 15 Cb 0.00 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3d7j s SER 15 CO -0.02 -0.47 -0.11 -0.36 0.98 0.00 0.00 173.24 173.27 3d7j s PHE 16 N -3.61 2.61 -0.21 5.02 2.99 -0.56 -4.73 117.98 119.49 3d7j s PHE 16 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 56.93 56.77 3d7j s PHE 16 Cb 0.05 -1.28 -0.03 0.00 0.00 0.00 0.00 43.02 41.76 3d7j s PHE 16 CO -0.04 0.51 0.02 0.50 -0.00 0.00 0.00 175.22 176.20 3d7j s ARG 17 N -2.80 3.65 0.00 0.44 3.52 -1.26 -4.18 118.95 118.33 3d7j s ARG 17 Ca 0.24 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 3d7j s ARG 17 Cb -0.09 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3d7j s ARG 17 CO 0.15 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.05 3d7j n GLY 18 N 4.28 4.37 0.38 8.12 0.00 -1.26 -4.94 105.19 116.14 3d7j n GLY 18 Ca -0.17 -1.11 0.14 0.00 0.00 0.00 0.00 46.02 44.87 3d7j n GLY 18 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d7j h ASP 19 N 0.00 0.51 -0.14 1.61 3.32 -1.96 -1.95 116.42 117.82 3d7j h ASP 19 Ca 0.00 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3d7j h ASP 19 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3d7j h ASP 19 CO 0.00 0.26 0.17 1.62 -1.72 0.00 0.00 179.24 179.57 3d7j h VAL 20 N 0.54 0.41 0.00 -1.35 3.04 -2.01 -2.70 116.25 114.18 3d7j h VAL 20 Ca 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.09 3d7j h VAL 20 Cb 0.78 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3d7j h VAL 20 CO -0.15 0.00 -0.47 -0.26 -1.01 0.00 0.00 177.57 175.68 3d7j h PHE 21 N 0.00 0.00 0.00 3.17 0.04 -1.71 -3.49 116.94 114.95 3d7j h PHE 21 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3d7j h PHE 21 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3d7j h PHE 21 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3d7j n GLY 22 N 1.26 4.04 0.15 -1.45 0.00 -1.02 -1.66 105.19 106.51 3d7j n GLY 22 Ca 0.03 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.31 132.00 129.50 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 -1.83 2.27 0.26 -0.56 0.00 -0.67 -1.52 120.51 118.47 3d7j n ALA 24 Ca 0.03 -0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.50 3d7j n ALA 24 Cb 0.31 -1.34 0.57 0.00 0.00 0.00 0.00 19.45 18.99 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 -7.10 0.00 4.20 -1.57 -1.50 115.11 109.15 3d7j h GLN 25 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 3d7j h GLN 25 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3d7j h GLN 25 CO 0.00 0.01 0.36 1.03 -0.67 0.00 0.00 178.83 179.57 3d7j s ARG 26 N -3.58 3.99 0.06 1.46 0.52 -0.57 -4.14 118.95 116.69 3d7j s ARG 26 Ca 0.02 1.17 -0.30 0.00 -0.52 0.00 0.00 55.73 56.10 3d7j s ARG 26 Cb 0.08 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 3d7j s ARG 26 CO 0.57 -0.25 1.78 -1.17 0.02 0.00 0.00 175.30 176.25 3d7j s LEU 27 N -3.52 4.39 0.00 2.53 2.96 -1.26 -4.46 118.68 119.32 3d7j s LEU 27 Ca 0.63 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.12 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 0.20 -0.97 0.00 0.00 -1.32 0.00 0.00 176.35 174.26 3d7j n HIS 28 N 6.25 0.00 -3.55 5.38 1.44 -0.06 -4.97 115.22 119.71 3d7j n HIS 28 Ca 0.17 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.84 3d7j n HIS 28 Cb 0.40 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.51 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 2.38 3.55 -1.39 0.00 -1.26 -0.79 105.19 107.68 3d7j n GLY 29 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.73 -1.78 -0.23 4.61 0.00 -0.31 -4.92 121.76 117.39 3d7j s ALA 30 Ca 0.08 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 3d7j s ALA 30 Cb -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 3d7j s ALA 30 CO 0.06 -0.36 0.24 0.99 0.00 0.00 0.00 175.76 176.68 3d7j s THR 31 N -0.76 5.30 -0.26 0.00 2.01 -1.26 -1.25 115.64 119.42 3d7j s THR 31 Ca -0.08 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 3d7j s THR 31 Cb -0.01 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 3d7j s THR 31 CO 0.07 0.30 0.04 -0.36 -0.69 0.00 0.00 174.62 173.98 3d7j s PHE 32 N 1.23 3.07 0.07 4.92 0.08 0.00 -4.30 117.98 123.05 3d7j s PHE 32 Ca 0.11 -0.84 -0.31 0.00 0.12 0.00 0.00 56.93 56.01 3d7j s PHE 32 Cb -0.14 -2.20 -0.06 0.00 -0.57 0.00 0.00 43.02 40.05 3d7j s PHE 32 CO 0.06 -0.51 1.30 -0.51 -0.10 0.00 0.00 175.22 175.45 3d7j s LEU 33 N 1.52 4.36 -0.28 -0.37 1.43 -0.67 -1.41 118.68 123.26 3d7j s LEU 33 Ca 0.04 2.13 -0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3d7j s LEU 33 Cb -0.16 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.53 3d7j s LEU 33 CO 0.01 -0.58 -0.05 -0.69 0.23 0.00 0.00 176.35 175.28 3d7j s VAL 34 N 1.33 2.72 -0.26 -1.59 1.01 0.66 -0.70 120.40 123.57 3d7j s VAL 34 Ca 0.61 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3d7j s VAL 34 Cb -0.32 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3d7j s VAL 34 CO 0.29 -0.02 0.05 -1.81 0.00 0.00 0.00 175.10 173.61 3d7j s ASP 35 N 1.22 4.95 -0.25 3.32 1.01 0.12 -0.48 116.67 126.57 3d7j s ASP 35 Ca -0.05 -0.38 -0.07 0.00 0.71 0.00 0.00 52.55 52.76 3d7j s ASP 35 Cb -0.19 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 3d7j s ASP 35 CO -0.03 -0.07 0.07 0.00 0.21 0.00 0.00 175.17 175.34 3d7j s ALA 36 N 1.56 3.15 -0.22 5.23 0.00 -0.17 -0.92 121.76 130.39 3d7j s ALA 36 Ca 0.05 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 3d7j s ALA 36 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3d7j s ALA 36 CO 0.02 -0.51 0.07 0.99 0.00 0.00 0.00 175.76 176.33 3d7j s THR 37 N 1.61 4.62 -0.14 0.00 2.01 0.83 -1.49 115.64 123.08 3d7j s THR 37 Ca 0.06 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 3d7j s THR 37 Cb -0.15 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 3d7j s THR 37 CO 0.03 0.39 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.92 3d7j s PHE 38 N 0.98 2.94 0.07 4.92 0.08 0.68 -1.22 117.98 126.42 3d7j s PHE 38 Ca 0.04 -0.41 0.09 0.00 0.12 0.00 0.00 56.93 56.77 3d7j s PHE 38 Cb -0.14 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3d7j s PHE 38 CO 0.03 -0.08 -0.25 -0.98 -0.10 0.00 0.00 175.22 173.83 3d7j s ARG 39 N 0.30 1.60 0.10 0.44 1.70 -0.42 -1.56 118.95 121.12 3d7j s ARG 39 Ca -0.06 -1.13 -0.13 0.00 -0.47 0.00 0.00 55.73 53.93 3d7j s ARG 39 Cb -0.15 -1.84 0.02 0.00 -0.57 0.00 0.00 34.95 32.41 3d7j s ARG 39 CO 0.04 0.46 0.32 -0.98 -1.08 0.00 0.00 175.30 174.06 3d7j s ARG 40 N -1.44 0.96 0.11 3.89 1.70 -0.14 -0.27 118.95 123.75 3d7j s ARG 40 Ca 0.11 -0.76 -0.01 0.00 -0.47 0.00 0.00 55.73 54.61 3d7j s ARG 40 Cb -0.10 0.41 -0.19 0.00 -0.57 0.00 0.00 34.95 34.50 3d7j s ARG 40 CO 0.03 -0.34 1.23 0.93 -1.08 0.00 0.00 175.30 176.07 3d7j h GLU 41 N 2.62 0.22 -4.72 3.89 5.08 -1.85 0.68 114.58 120.50 3d7j h GLU 41 Ca -0.34 -0.33 -0.43 0.00 -1.00 0.00 0.00 59.36 57.27 3d7j h GLU 41 Cb 1.23 0.11 -0.30 0.00 0.50 0.00 0.00 28.75 30.29 3d7j h GLU 41 CO 0.50 1.11 -0.79 -0.65 -1.00 0.00 0.00 179.01 178.18 3d7j s GLN 42 N -2.85 0.92 0.58 2.33 -1.52 -1.26 -4.57 119.66 113.29 3d7j s GLN 42 Ca -0.03 -0.34 -0.20 0.00 -1.95 0.00 0.00 55.36 52.84 3d7j s GLN 42 Cb 0.08 -0.87 -0.04 0.00 -0.22 0.00 0.00 33.01 31.96 3d7j s GLN 42 CO 0.86 0.16 1.27 1.28 -0.25 0.00 0.00 175.29 178.61 3d7j n LEU 43 N 3.09 5.31 0.00 2.90 4.77 -1.26 -4.96 117.00 126.84 3d7j n LEU 43 Ca -0.16 0.91 -0.10 0.00 -0.03 0.00 0.00 56.01 56.63 3d7j n LEU 43 Cb 0.55 -1.54 0.08 0.00 -2.33 0.00 0.00 43.42 40.18 3d7j n LEU 43 CO 0.25 -0.92 0.26 -0.90 -1.33 0.00 0.00 177.39 174.75 3d7j n ASP 44 N -1.17 -0.50 0.27 -1.43 5.75 -0.44 -4.83 116.55 114.20 3d7j n ASP 44 Ca 0.12 -0.99 0.15 0.00 -0.01 0.00 0.00 54.79 54.06 3d7j n ASP 44 Cb 0.46 -0.34 0.73 0.00 -1.03 0.00 0.00 41.12 40.93 3d7j n ASP 44 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3d7j h GLU 45 N 0.00 0.00 -0.12 0.11 4.11 -1.96 -0.53 114.58 116.20 3d7j h GLU 45 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 3d7j h GLU 45 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3d7j h GLU 45 CO 0.10 0.09 0.00 -0.25 0.07 0.00 0.00 179.01 179.02 3d7j n ASP 46 N -3.34 1.73 -1.14 3.06 8.00 -1.26 -4.94 116.55 118.66 3d7j n ASP 46 Ca -0.01 -1.65 -0.08 0.00 0.71 0.00 0.00 54.79 53.76 3d7j n ASP 46 Cb 0.28 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.36 -3.06 -4.29 -2.24 5.15 -0.20 -5.05 115.26 105.92 3d7j n ASN 47 Ca 0.17 -0.08 -0.16 0.00 -0.60 0.00 0.00 54.58 53.92 3d7j n ASN 47 Cb 0.36 -2.06 -0.10 0.00 -0.53 0.00 0.00 39.78 37.45 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 -2.67 0.88 -0.01 -1.44 -4.36 -1.26 -4.84 121.20 107.50 3d7j s ILE 48 Ca 0.08 -2.01 -0.21 0.00 -0.26 0.00 0.00 60.65 58.25 3d7j s ILE 48 Cb -0.04 -2.25 -0.24 0.00 1.25 0.00 0.00 42.46 41.18 3d7j s ILE 48 CO 0.10 -0.38 1.08 0.58 0.24 0.00 0.00 174.94 176.57 3d7j h VAL 49 N 2.56 1.45 -2.12 8.37 2.07 -1.94 -1.17 116.25 125.48 3d7j h VAL 49 Ca -0.38 -2.06 -0.07 0.00 0.82 0.00 0.00 66.70 65.02 3d7j h VAL 49 Cb 1.22 2.63 -0.19 0.00 -1.52 0.00 0.00 31.29 33.43 3d7j h VAL 49 CO 0.63 0.59 0.13 0.54 0.02 0.00 0.00 177.57 179.49 3d7j s VAL 50 N -3.18 0.01 -0.39 2.57 0.11 -1.26 -4.81 120.40 113.45 3d7j s VAL 50 Ca -0.14 -0.05 -0.33 0.00 -2.93 0.00 0.00 61.98 58.54 3d7j s VAL 50 Cb 0.03 -0.95 -0.11 0.00 -1.53 0.00 0.00 36.38 33.82 3d7j s VAL 50 CO 0.81 -0.03 2.26 -0.67 -3.33 0.00 0.00 175.10 174.14 3d7j n ASP 51 N 1.10 2.19 0.17 3.54 -0.08 -1.26 -4.84 116.55 117.38 3d7j n ASP 51 Ca -0.19 0.26 0.01 0.00 -1.51 0.00 0.00 54.79 53.36 3d7j n ASP 51 Cb 0.57 -1.32 0.29 0.00 2.34 0.00 0.00 41.12 43.00 3d7j n ASP 51 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3d7j h ILE 52 N 7.24 1.32 -0.42 5.18 2.10 -1.98 0.99 117.51 131.94 3d7j h ILE 52 Ca -0.27 -1.58 -0.02 0.00 1.08 0.00 0.00 64.86 64.06 3d7j h ILE 52 Cb 1.30 1.86 -0.02 0.00 -1.09 0.00 0.00 36.82 38.87 3d7j h ILE 52 CO 1.05 0.45 0.18 1.23 -1.08 0.00 0.00 178.15 179.98 3d7j h GLY 53 N 1.40 0.66 1.28 8.18 0.00 -1.99 -0.66 103.07 111.93 3d7j h GLY 53 Ca -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 3d7j h GLY 53 CO 0.06 0.33 -0.55 1.41 0.00 0.00 0.00 176.54 177.80 3d7j h LEU 54 N 0.53 0.84 -0.13 3.11 3.38 -1.82 -1.09 115.31 120.13 3d7j h LEU 54 Ca 0.14 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3d7j h LEU 54 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3d7j h LEU 54 CO -0.01 1.22 -0.07 0.00 0.09 0.00 0.00 178.44 179.66 3d7j h ALA 55 N 0.80 0.04 -0.32 1.53 0.00 -0.70 0.12 119.26 120.73 3d7j h ALA 55 Ca 0.01 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3d7j h ALA 55 Cb 1.13 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3d7j h ALA 55 CO 0.11 -0.52 -0.39 1.79 0.00 0.00 0.00 179.25 180.24 3d7j h THR 56 N -0.07 1.28 -0.27 0.00 1.35 -1.12 -0.53 112.91 113.56 3d7j h THR 56 Ca 0.08 -1.56 -0.00 0.00 -0.55 0.00 0.00 66.41 64.38 3d7j h THR 56 Cb 0.18 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3d7j h THR 56 CO -0.18 0.51 0.17 -0.61 -0.25 0.00 0.00 175.52 175.16 3d7j h GLN 57 N 0.63 0.36 -0.24 4.72 4.15 -0.93 0.10 115.11 123.89 3d7j h GLN 57 Ca 0.05 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.25 3d7j h GLN 57 Cb 0.94 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3d7j h GLN 57 CO 0.09 0.27 -0.62 0.93 -1.93 0.00 0.00 178.83 177.57 3d7j h GLU 58 N 0.34 0.85 -0.54 1.69 4.39 -0.71 -0.98 114.58 119.63 3d7j h GLU 58 Ca 0.10 -0.59 0.02 0.00 0.34 0.00 0.00 59.36 59.23 3d7j h GLU 58 Cb 0.00 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 3d7j h GLU 58 CO -0.02 1.21 0.33 1.25 -1.16 0.00 0.00 179.01 180.62 3d7j h LEU 59 N 0.62 0.54 -0.91 1.33 5.85 -1.05 -0.92 115.31 120.77 3d7j h LEU 59 Ca -0.01 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3d7j h LEU 59 Cb 1.24 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 3d7j h LEU 59 CO 0.13 0.38 0.56 1.23 -0.34 0.00 0.00 178.44 180.40 3d7j h GLY 60 N 0.65 1.41 0.92 3.75 0.00 -0.47 -0.84 103.07 108.49 3d7j h GLY 60 Ca 0.22 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3d7j h GLY 60 CO -0.09 0.22 -0.23 0.00 0.00 0.00 0.00 176.54 176.44 3d7j h ALA 61 N 1.46 0.39 0.42 3.60 0.00 -0.79 0.84 119.26 125.18 3d7j h ALA 61 Ca 0.42 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3d7j h ALA 61 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3d7j h ALA 61 CO -0.21 0.35 -0.20 0.28 0.00 0.00 0.00 179.25 179.46 3d7j h VAL 62 N 0.35 0.59 0.00 0.00 2.07 -0.71 -3.04 116.25 115.50 3d7j h VAL 62 Ca 0.05 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3d7j h VAL 62 Cb 0.78 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3d7j h VAL 62 CO 0.06 0.02 -0.30 -0.37 0.02 0.00 0.00 177.57 177.00 3d7j h VAL 63 N -0.63 0.64 -0.07 2.57 -1.51 -1.21 -2.97 116.25 113.07 3d7j h VAL 63 Ca -0.06 -1.47 0.02 0.00 -1.23 0.00 0.00 66.70 63.97 3d7j h VAL 63 Cb 0.47 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3d7j h VAL 63 CO 0.10 0.30 0.06 1.23 -1.23 0.00 0.00 177.57 178.02 3d7j h GLY 64 N 2.59 0.00 2.00 5.19 0.00 -0.71 0.69 103.07 112.83 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 3d7j n ALA 65 N -2.48 2.06 -0.02 3.60 0.00 -1.12 -3.33 120.51 119.22 3d7j n ALA 65 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.38 3d7j n ALA 65 Cb 0.17 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 3d7j n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d7j n LEU 66 N -1.56 0.00 -4.76 0.00 4.77 0.12 -5.03 117.00 110.53 3d7j n LEU 66 Ca 0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 3d7j n LEU 66 Cb 0.28 0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 3d7j n LEU 66 CO 0.22 0.10 0.89 0.21 -1.33 0.00 0.00 177.39 177.49 3d7j s ASN 67 N -3.84 5.85 -1.51 -1.43 3.84 -0.50 -3.47 114.94 113.88 3d7j s ASN 67 Ca -0.05 2.49 -0.06 0.00 0.21 0.00 0.00 52.86 55.45 3d7j s ASN 67 Cb 0.07 -2.62 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 3d7j s ASN 67 CO 0.52 -1.15 0.69 -1.22 -2.79 0.00 0.00 177.10 173.15 3d7j n TYR 68 N -0.65 -2.10 -4.19 0.43 4.01 -1.26 -4.99 117.16 108.41 3d7j n TYR 68 Ca 0.08 0.60 -0.18 0.00 -0.16 0.00 0.00 57.90 58.24 3d7j n TYR 68 Cb 0.47 -4.43 -0.12 0.00 -0.31 0.00 0.00 39.34 34.95 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 -5.85 0.87 -0.52 -0.72 0.52 -1.23 -5.02 118.95 107.01 3d7j s ARG 69 Ca 0.36 -1.04 -0.25 0.00 -0.52 0.00 0.00 55.73 54.28 3d7j s ARG 69 Cb -0.16 -0.81 0.03 0.00 0.52 0.00 0.00 34.95 34.53 3d7j s ARG 69 CO 0.45 0.17 0.96 1.21 0.02 0.00 0.00 175.30 178.11 3d7j s ASN 70 N -1.98 6.42 0.50 0.23 3.84 -1.26 -1.15 114.94 121.54 3d7j s ASN 70 Ca 0.01 -0.10 0.33 0.00 0.21 0.00 0.00 52.86 53.32 3d7j s ASN 70 Cb -0.08 -2.46 1.54 0.00 -0.55 0.00 0.00 41.25 39.70 3d7j s ASN 70 CO 0.02 -1.18 2.00 -0.07 -2.79 0.00 0.00 177.10 175.08 3d7j h LEU 71 N 10.90 0.00 -2.18 3.21 3.38 -1.08 -1.64 115.31 127.90 3d7j h LEU 71 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3d7j h LEU 71 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3d7j h LEU 71 CO 1.07 0.00 -0.06 0.44 0.09 0.00 0.00 178.44 179.98 3d7j h ASP 72 N 0.00 0.00 -0.37 -0.43 5.19 -1.92 -2.26 116.42 116.63 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 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3d7j h ASP 72 CO 0.00 0.06 0.00 0.59 -3.12 0.00 0.00 179.24 176.77 3d7j n ASN 73 N -3.85 3.24 -4.66 6.45 3.02 -0.62 -4.81 115.26 114.03 3d7j n ASN 73 Ca -0.03 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 3d7j n ASN 73 Cb 0.15 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.28 4.26 0.45 3.52 0.41 -0.85 -4.94 118.70 120.27 3d7j s GLU 74 Ca 0.34 1.09 0.20 0.00 -0.41 0.00 0.00 54.97 56.18 3d7j s GLU 74 Cb 0.19 -3.61 1.17 0.00 -1.78 0.00 0.00 34.13 30.10 3d7j s GLU 74 CO 0.27 -0.46 1.91 -1.35 -0.49 0.00 0.00 175.26 175.14 3d7j h PRO 75 N 7.47 0.29 0.00 0.39 0.11 -1.91 -0.93 132.00 137.41 3d7j h PRO 75 Ca -0.25 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3d7j h PRO 75 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3d7j h PRO 75 CO 0.88 0.19 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.41 3d7j h ASP 76 N 0.30 0.00 -0.07 -2.05 3.32 -1.94 -2.87 116.42 113.11 3d7j h ASP 76 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3d7j h ASP 76 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3d7j h ASP 76 CO -0.10 0.01 0.00 0.49 -1.72 0.00 0.00 179.24 177.92 3d7j n PHE 77 N -3.89 0.20 -1.66 4.55 0.99 -0.37 -5.04 117.46 112.25 3d7j n PHE 77 Ca -0.03 -0.84 -0.49 0.00 -0.00 0.00 0.00 57.45 56.09 3d7j n PHE 77 Cb 0.10 -0.15 -0.05 0.00 -1.00 0.00 0.00 39.48 38.38 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 -0.95 0.51 -0.94 4.37 0.00 -1.09 -1.47 120.51 120.96 3d7j n ALA 78 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3d7j n ALA 78 Cb 0.59 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 3.55 0.43 3.46 0.00 0.00 -1.26 -5.00 105.19 106.36 3d7j n GLY 79 Ca 0.20 0.00 -0.33 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 -2.08 3.11 -0.25 1.61 1.01 -0.54 -5.09 120.40 118.17 3d7j s VAL 80 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3d7j s VAL 80 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3d7j s VAL 80 CO 0.00 0.58 1.42 0.20 0.00 0.00 0.00 175.10 177.30 3d7j s ASN 81 N -0.50 6.59 -1.43 3.32 0.01 -1.26 -4.92 114.94 116.75 3d7j s ASN 81 Ca 0.07 1.42 -0.08 0.00 -0.71 0.00 0.00 52.86 53.56 3d7j s ASN 81 Cb -0.12 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 39.06 3d7j s ASN 81 CO 0.02 -1.11 2.52 0.35 -1.51 0.00 0.00 177.10 177.36 3d7j n THR 82 N 6.19 4.75 -0.96 1.60 -2.24 -1.26 -4.87 114.28 117.49 3d7j n THR 82 Ca 0.16 -3.69 -0.31 0.00 -2.27 0.00 0.00 64.05 57.94 3d7j n THR 82 Cb 0.46 -2.31 0.13 0.00 -2.10 0.00 0.00 70.33 66.51 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 1.17 3.60 0.19 3.42 1.04 -1.26 -4.78 113.70 117.08 3d7j s SER 83 Ca 0.57 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.96 3d7j s SER 83 Cb 0.17 -2.55 0.23 0.00 0.10 0.00 0.00 66.02 63.97 3d7j s SER 83 CO -0.07 -2.65 1.73 0.74 0.98 0.00 0.00 173.24 173.96 3d7j h THR 84 N -1.48 0.74 -0.59 2.02 2.02 -1.97 -0.94 112.91 112.71 3d7j h THR 84 Ca -0.44 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 3d7j h THR 84 Cb 1.26 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3d7j h THR 84 CO 0.46 0.06 -0.04 1.05 0.37 0.00 0.00 175.52 177.41 3d7j h GLU 85 N 0.30 1.07 -0.40 6.66 9.09 -1.91 -0.88 114.58 128.51 3d7j h GLU 85 Ca 0.27 -0.36 -0.02 0.00 0.05 0.00 0.00 59.36 59.30 3d7j h GLU 85 Cb 0.35 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.35 3d7j h GLU 85 CO -0.32 1.07 0.17 0.35 0.05 0.00 0.00 179.01 180.33 3d7j h PHE 86 N 0.96 0.60 -0.34 2.06 3.57 -1.79 -2.78 116.94 119.23 3d7j h PHE 86 Ca 0.16 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3d7j h PHE 86 Cb 0.61 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3d7j h PHE 86 CO 0.04 0.52 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.55 3d7j h LEU 87 N 0.51 0.50 -0.77 0.59 3.38 -1.00 -1.34 115.31 117.18 3d7j h LEU 87 Ca 0.14 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3d7j h LEU 87 Cb 0.16 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3d7j h LEU 87 CO -0.01 0.59 0.47 0.00 0.09 0.00 0.00 178.44 179.58 3d7j h ALA 88 N 1.47 1.03 -0.38 1.53 0.00 -0.92 -0.72 119.26 121.27 3d7j h ALA 88 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3d7j h ALA 88 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3d7j h ALA 88 CO 0.01 0.23 -0.12 -0.22 0.00 0.00 0.00 179.25 179.15 3d7j h LYS 89 N 0.89 0.76 -0.43 0.00 3.64 -1.17 -0.24 116.57 120.02 3d7j h LYS 89 Ca 0.32 -0.30 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3d7j h LYS 89 Cb 0.10 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 3d7j h LYS 89 CO -0.15 0.91 0.07 0.28 -2.27 0.00 0.00 179.45 178.30 3d7j h VAL 90 N 0.56 0.75 -0.36 2.00 2.07 -0.86 0.99 116.25 121.40 3d7j h VAL 90 Ca 0.09 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3d7j h VAL 90 Cb 0.65 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3d7j h VAL 90 CO 0.04 0.04 -0.12 0.40 0.02 0.00 0.00 177.57 177.95 3d7j h ILE 91 N 0.20 1.28 -0.54 4.57 2.04 -1.06 -1.68 117.51 122.32 3d7j h ILE 91 Ca 0.21 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.89 3d7j h ILE 91 Cb 0.27 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3d7j h ILE 91 CO -0.29 0.40 0.31 0.00 0.00 0.00 0.00 178.15 178.57 3d7j h ALA 92 N 0.81 0.70 -0.36 1.87 0.00 -0.65 -0.66 119.26 120.97 3d7j h ALA 92 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3d7j h ALA 92 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3d7j h ALA 92 CO 0.04 -0.01 -0.28 -0.44 0.00 0.00 0.00 179.25 178.57 3d7j h ASP 93 N 0.60 0.77 -0.43 0.00 3.32 -0.73 -0.39 116.42 119.56 3d7j h ASP 93 Ca 0.23 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 3d7j h ASP 93 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3d7j h ASP 93 CO -0.12 1.01 -0.20 0.03 -1.72 0.00 0.00 179.24 178.23 3d7j h ARG 94 N 0.64 0.93 -0.67 3.56 3.08 -1.06 -1.20 114.38 119.66 3d7j h ARG 94 Ca 0.08 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 3d7j h ARG 94 Cb 0.80 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 3d7j h ARG 94 CO 0.07 1.04 0.26 -0.07 -1.07 0.00 0.00 179.97 180.19 3d7j h LEU 95 N 0.81 0.93 -0.49 3.04 3.38 -0.93 -2.42 115.31 119.64 3d7j h LEU 95 Ca 0.11 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3d7j h LEU 95 Cb 0.75 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3d7j h LEU 95 CO 0.06 0.86 0.27 0.00 0.09 0.00 0.00 178.44 179.72 3d7j h ALA 96 N 1.11 0.62 -0.89 1.53 0.00 -0.85 0.02 119.26 120.81 3d7j h ALA 96 Ca 0.22 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3d7j h ALA 96 Cb 0.23 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3d7j h ALA 96 CO -0.02 -0.06 0.56 1.49 0.00 0.00 0.00 179.25 181.22 3d7j h GLU 97 N 0.53 1.02 -0.42 0.00 4.81 -1.03 -0.50 114.58 118.99 3d7j h GLU 97 Ca 0.21 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3d7j h GLU 97 Cb 0.08 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3d7j h GLU 97 CO -0.12 0.68 -0.21 0.00 -0.73 0.00 0.00 179.01 178.62 3d7j h ARG 98 N 1.05 0.84 -0.24 1.92 3.08 -0.91 -1.88 114.38 118.24 3d7j h ARG 98 Ca 0.37 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3d7j h ARG 98 Cb 0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3d7j h ARG 98 CO -0.15 0.97 0.05 0.28 -1.07 0.00 0.00 179.97 180.05 3d7j h VAL 99 N 0.73 0.89 0.00 2.04 2.07 -0.41 -0.70 116.25 120.87 3d7j h VAL 99 Ca 0.10 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3d7j h VAL 99 Cb 0.74 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3d7j h VAL 99 CO 0.06 0.03 -0.12 0.45 0.02 0.00 0.00 177.57 178.00 3d7j h HIS 100 N 0.14 0.00 -0.07 1.57 3.86 -0.89 -1.48 115.15 118.28 3d7j h HIS 100 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3d7j h HIS 100 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3d7j h HIS 100 CO -0.15 0.12 0.00 0.36 0.86 0.00 0.00 177.93 179.12 3d7j n LYS 101 N -3.34 1.67 -0.55 2.45 2.85 -0.73 -4.94 118.16 115.57 3d7j n LYS 101 Ca -0.00 -0.98 0.00 0.00 -1.05 0.00 0.00 58.31 56.28 3d7j n LYS 101 Cb 0.33 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 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 1.15 0.73 0.21 2.58 0.00 -0.56 -4.96 105.19 104.34 3d7j n GLY 102 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.52 4.61 0.00 -1.31 -1.87 119.26 121.16 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 -2.74 5.36 0.00 0.00 4.32 -1.26 -4.91 117.00 117.76 3d7j n LEU 104 Ca 0.02 -2.92 0.00 0.00 -0.02 0.00 0.00 56.01 53.09 3d7j n LEU 104 Cb 0.31 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 3d7j n LEU 104 CO 0.26 0.65 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 3d7j n GLY 105 N 0.45 0.99 0.26 -0.72 0.00 -0.70 -4.24 105.19 101.23 3d7j n GLY 105 Ca 0.27 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 0.25 -0.11 1.61 4.39 -1.96 -2.54 114.58 116.21 3d7j h GLU 106 Ca 0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3d7j h GLU 106 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3d7j h GLU 106 CO 0.00 0.28 -0.10 0.78 -1.16 0.00 0.00 179.01 178.82 3d7j h GLY 107 N 0.53 0.18 2.00 -3.84 0.00 -1.96 -2.49 103.07 97.49 3d7j h GLY 107 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3d7j h GLY 107 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.64 3d7j h ALA 108 N 1.74 1.00 0.00 3.60 0.00 -1.63 -1.89 119.26 122.08 3d7j h ALA 108 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3d7j h ALA 108 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3d7j h ALA 108 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3d7j h ARG 109 N 0.00 0.00 -0.00 0.00 3.08 -1.57 -1.84 114.38 114.04 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 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3d7j h ARG 109 CO 0.00 0.00 -0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3d7j n GLY 110 N -0.61 -0.75 3.75 0.04 0.00 -0.71 -4.93 105.19 101.98 3d7j n GLY 110 Ca -0.01 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3d7j n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7j s LEU 111 N -2.03 3.77 -0.01 0.99 1.43 -0.69 -4.73 118.68 117.40 3d7j s LEU 111 Ca 0.44 2.57 0.10 0.00 -1.03 0.00 0.00 54.13 56.22 3d7j s LEU 111 Cb 0.22 -4.42 -0.23 0.00 0.03 0.00 0.00 46.19 41.78 3d7j s LEU 111 CO 0.37 -1.57 0.80 0.00 0.23 0.00 0.00 176.35 176.18 3d7j h ALA 112 N 1.21 0.65 0.00 4.21 0.00 -0.96 -3.42 119.26 120.95 3d7j h ALA 112 Ca -0.51 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.08 3d7j h ALA 112 Cb 1.30 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3d7j h ALA 112 CO 0.56 1.49 0.00 0.41 0.00 0.00 0.00 179.25 181.71 3d7j n GLY 113 N 1.53 -1.12 2.99 0.00 0.00 -1.19 -1.28 105.19 106.13 3d7j n GLY 113 Ca -0.14 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 2.06 -0.03 0.99 1.43 -0.34 -1.30 118.68 121.49 3d7j s LEU 114 Ca 0.00 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3d7j s LEU 114 Cb 0.00 0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.43 3d7j s LEU 114 CO 0.00 -0.27 -0.08 -0.89 0.23 0.00 0.00 176.35 175.34 3d7j s THR 115 N -1.22 0.69 -0.11 5.49 2.01 -0.36 -1.03 115.64 121.09 3d7j s THR 115 Ca -0.13 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3d7j s THR 115 Cb -0.08 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.81 3d7j s THR 115 CO -0.00 0.22 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.23 3d7j s VAL 116 N 0.26 2.08 -0.12 3.82 1.01 -0.22 -0.12 120.40 127.12 3d7j s VAL 116 Ca -0.04 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3d7j s VAL 116 Cb -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3d7j s VAL 116 CO 0.00 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.55 3d7j s THR 117 N 0.46 2.22 -0.16 3.92 2.01 -0.09 -0.76 115.64 123.23 3d7j s THR 117 Ca -0.16 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.87 3d7j s THR 117 Cb -0.17 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 3d7j s THR 117 CO 0.06 0.55 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.68 3d7j s LEU 118 N 0.49 2.81 -0.31 4.42 1.02 0.51 -0.70 118.68 126.91 3d7j s LEU 118 Ca -0.14 -0.33 -0.09 0.00 0.02 0.00 0.00 54.13 53.58 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 0.11 0.15 -1.00 0.02 0.00 0.00 176.35 175.68 3d7j s HIS 119 N 0.69 3.18 -0.06 0.29 3.76 0.12 -0.76 115.29 122.51 3d7j s HIS 119 Ca -0.05 -0.68 0.13 0.00 -0.15 0.00 0.00 55.06 54.31 3d7j s HIS 119 Cb -0.15 -2.35 -0.08 0.00 1.11 0.00 0.00 32.58 31.11 3d7j s HIS 119 CO 0.02 -0.50 1.20 1.05 -0.85 0.00 0.00 174.74 175.67 3d7j h GLU 120 N 8.34 0.00 0.00 1.40 4.11 -1.58 -1.77 114.58 125.08 3d7j h GLU 120 Ca -0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.09 3d7j h GLU 120 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3d7j h GLU 120 CO 0.62 0.61 0.02 -1.13 0.07 0.00 0.00 179.01 179.20 3d7j n SER 121 N -3.18 -0.40 0.00 3.06 3.41 -1.13 -4.46 113.62 110.92 3d7j n SER 121 Ca -0.03 -1.35 0.11 0.00 -0.26 0.00 0.00 58.87 57.35 3d7j n SER 121 Cb 0.85 0.68 0.55 0.00 -0.26 0.00 0.00 64.21 66.02 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 -0.11 0.00 -0.44 7.33 1.44 -1.26 -3.84 115.22 118.33 3d7j n HIS 122 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3d7j n HIS 122 Cb 0.12 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 29.83 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 -1.40 0.36 -3.72 0.61 0.24 -1.26 -5.04 118.33 108.12 3d7j n VAL 123 Ca 0.08 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 3d7j n VAL 123 Cb 0.24 0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 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 0.18 2.33 0.00 -1.25 -5.12 121.76 116.73 3d7j s ALA 124 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3d7j s ALA 124 Cb 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 3d7j s ALA 124 CO 0.00 -0.22 0.35 1.67 0.00 0.00 0.00 175.76 177.57 3d7j s TRP 125 N 1.10 0.29 0.04 0.00 -2.14 -1.26 -1.96 118.94 115.01 3d7j s TRP 125 Ca -0.08 -0.64 -0.05 0.00 2.66 0.00 0.00 56.10 57.99 3d7j s TRP 125 Cb -0.08 0.06 -0.01 0.00 -3.10 0.00 0.00 33.47 30.34 3d7j s TRP 125 CO -0.08 -0.79 0.09 0.00 -2.66 0.00 0.00 176.95 173.51 3d7j s ALA 126 N -3.95 -0.03 0.06 2.67 0.00 0.06 -4.98 121.76 115.58 3d7j s ALA 126 Ca 0.16 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 3d7j s ALA 126 Cb 0.02 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3d7j s ALA 126 CO 0.00 -0.32 0.04 -1.54 0.00 0.00 0.00 175.76 173.94 3d7j s SER 127 N -2.17 0.38 -0.02 0.00 1.04 -1.26 -0.36 113.70 111.30 3d7j s SER 127 Ca -0.04 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.49 3d7j s SER 127 Cb -0.01 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.37 3d7j s SER 127 CO -0.05 -0.64 -0.01 -0.47 0.98 0.00 0.00 173.24 173.05 3d7j s TYR 128 N -3.91 0.34 -0.07 5.02 5.04 0.06 -4.93 117.35 118.91 3d7j s TYR 128 Ca 0.07 -0.03 0.04 0.00 -2.44 0.00 0.00 57.07 54.70 3d7j s TYR 128 Cb 0.07 -0.37 -0.02 0.00 0.35 0.00 0.00 41.96 42.00 3d7j s TYR 128 CO -0.10 -0.10 -0.17 -1.21 -1.34 0.00 0.00 175.55 172.63 3d7j s GLU 129 N 0.70 2.73 0.07 4.97 2.02 -1.26 -1.06 118.70 126.87 3d7j s GLU 129 Ca -0.07 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.08 3d7j s GLU 129 Cb -0.10 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 3d7j s GLU 129 CO -0.01 0.45 0.16 -0.98 0.02 0.00 0.00 175.26 174.90 3d7j s ARG 130 N -0.29 0.78 0.60 1.61 1.70 -0.20 -5.01 118.95 118.14 3d7j s ARG 130 Ca 0.01 -0.93 -0.12 0.00 -0.47 0.00 0.00 55.73 54.22 3d7j s ARG 130 Cb -0.13 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 3d7j s ARG 130 CO 0.03 -0.23 1.02 0.00 -1.08 0.00 0.00 175.30 175.04 3d7j s ALA 131 N -3.61 3.08 -2.24 7.88 0.00 -1.26 -1.20 121.76 124.40 3d7j s ALA 131 Ca 0.03 -0.03 0.18 0.00 0.00 0.00 0.00 51.96 52.14 3d7j s ALA 131 Cb 0.04 -3.09 0.14 0.00 0.00 0.00 0.00 23.12 20.21 3d7j s ALA 131 CO -0.10 -0.63 1.07 1.28 0.00 0.00 0.00 175.76 177.39