#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8j h ASN 2 N 0.00 0.81 -2.56 -3.46 -0.73 -2.05 -3.39 115.58 104.21 3a8j h ASN 2 Ca 0.00 -0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.60 3a8j h ASN 2 Cb 0.00 -0.18 -0.39 0.00 0.27 0.00 0.00 38.32 38.03 3a8j h ASN 2 CO 0.00 0.54 -0.84 -0.69 -0.37 0.00 0.00 177.43 176.07 3a8j s VAL 3 N -5.81 0.09 0.34 2.57 1.01 -1.26 -4.36 120.40 112.97 3a8j s VAL 3 Ca -0.11 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.02 3a8j s VAL 3 Cb 0.19 -1.08 -0.13 0.00 0.00 0.00 0.00 36.38 35.37 3a8j s VAL 3 CO 0.79 -0.95 1.02 -2.65 0.00 0.00 0.00 175.10 173.31 3a8j n PRO 4 N 4.16 1.41 0.13 2.72 -0.02 -1.26 -4.85 135.00 137.28 3a8j n PRO 4 Ca 0.11 0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3a8j n PRO 4 Cb 0.38 -1.94 0.27 0.00 -0.02 0.00 0.00 33.50 32.19 3a8j n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8j h ALA 5 N 1.86 1.22 -0.00 3.55 0.00 -1.99 -3.21 119.26 120.68 3a8j h ALA 5 Ca -0.42 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3a8j h ALA 5 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3a8j h ALA 5 CO 0.59 0.54 -0.39 -0.85 0.00 0.00 0.00 179.25 179.14 3a8j n GLU 6 N -4.05 0.31 -2.00 0.00 0.00 -1.26 -4.43 120.64 109.21 3a8j n GLU 6 Ca -0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 57.16 56.67 3a8j n GLU 6 Cb 0.45 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.41 3a8j n GLU 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3a8j s LEU 7 N -2.81 3.17 0.18 -1.84 1.43 -1.22 -4.99 118.68 112.60 3a8j s LEU 7 Ca 0.16 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.53 3a8j s LEU 7 Cb 0.18 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3a8j s LEU 7 CO 0.63 -1.00 0.17 -0.54 0.23 0.00 0.00 176.35 175.84 3a8j s LYS 8 N -5.18 3.00 0.02 1.70 -0.14 -1.00 -3.57 119.74 114.58 3a8j s LYS 8 Ca 0.55 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 54.29 3a8j s LYS 8 Cb -0.11 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.34 3a8j s LYS 8 CO 0.52 0.48 -0.01 0.71 -0.76 0.00 0.00 175.35 176.28 3a8j s TYR 9 N -1.81 0.27 0.06 3.18 2.02 0.36 0.12 117.35 121.55 3a8j s TYR 9 Ca 0.32 -0.55 0.09 0.00 -0.37 0.00 0.00 57.07 56.55 3a8j s TYR 9 Cb -0.10 -0.20 -0.03 0.00 -0.40 0.00 0.00 41.96 41.23 3a8j s TYR 9 CO 0.24 -0.23 -0.24 0.45 -1.57 0.00 0.00 175.55 174.21 3a8j s SER 10 N -1.64 3.42 0.00 2.29 0.15 0.06 -1.12 113.70 116.85 3a8j s SER 10 Ca -0.13 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 55.95 3a8j s SER 10 Cb -0.07 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 3a8j s SER 10 CO -0.02 0.24 0.46 2.29 1.20 0.00 0.00 173.24 177.41 3a8j n LYS 11 N 1.49 0.60 -0.09 5.44 -0.00 -1.26 -0.97 118.16 123.37 3a8j n LYS 11 Ca -0.17 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.26 3a8j n LYS 11 Cb 0.52 -1.14 0.34 0.00 -0.00 0.00 0.00 35.03 34.75 3a8j n LYS 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3a8j n GLU 12 N -0.17 1.92 -3.31 -1.58 -0.58 -1.26 -4.95 120.64 110.72 3a8j n GLU 12 Ca 0.00 -1.38 -0.18 0.00 -0.42 0.00 0.00 57.16 55.18 3a8j n GLU 12 Cb 0.07 -1.43 0.07 0.00 -0.57 0.00 0.00 31.44 29.57 3a8j n GLU 12 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3a8j n HIS 13 N 0.61 -2.16 -4.32 -0.32 8.25 -0.14 -4.96 115.22 112.17 3a8j n HIS 13 Ca 0.17 0.79 -0.28 0.00 -0.26 0.00 0.00 57.72 58.14 3a8j n HIS 13 Cb 0.41 -4.27 -0.11 0.00 1.12 0.00 0.00 29.99 27.14 3a8j n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a8j s GLU 14 N -5.81 1.77 0.15 -0.41 2.02 -1.21 -1.46 118.70 113.75 3a8j s GLU 14 Ca 0.35 -1.26 0.06 0.00 0.02 0.00 0.00 54.97 54.15 3a8j s GLU 14 Cb -0.16 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 3a8j s GLU 14 CO 0.58 0.46 0.02 1.67 0.02 0.00 0.00 175.26 178.01 3a8j s TRP 15 N -1.33 2.93 -0.05 1.61 1.48 -0.70 -0.76 118.94 122.12 3a8j s TRP 15 Ca 0.20 -0.09 0.02 0.00 -1.06 0.00 0.00 56.10 55.17 3a8j s TRP 15 Cb -0.10 -1.44 0.01 0.00 -1.16 0.00 0.00 33.47 30.78 3a8j s TRP 15 CO 0.11 0.51 -0.10 -0.51 -4.06 0.00 0.00 176.95 172.90 3a8j s LEU 16 N -2.82 1.63 -0.21 -4.66 2.01 0.12 -2.35 118.68 112.40 3a8j s LEU 16 Ca 0.28 -0.24 -0.00 0.00 0.01 0.00 0.00 54.13 54.18 3a8j s LEU 16 Cb -0.10 -0.68 0.02 0.00 0.01 0.00 0.00 46.19 45.44 3a8j s LEU 16 CO 0.19 0.03 -0.13 -0.60 1.01 0.00 0.00 176.35 176.85 3a8j s ARG 17 N 0.55 2.98 0.07 1.70 3.52 0.59 -2.37 118.95 125.99 3a8j s ARG 17 Ca -0.10 -0.86 -0.31 0.00 -0.13 0.00 0.00 55.73 54.33 3a8j s ARG 17 Cb -0.13 -2.77 -0.07 0.00 -1.56 0.00 0.00 34.95 30.42 3a8j s ARG 17 CO 0.02 -0.27 1.40 0.21 -0.81 0.00 0.00 175.30 175.85 3a8j s LYS 18 N 1.32 4.31 0.61 5.12 2.20 -1.26 -1.04 119.74 130.99 3a8j s LYS 18 Ca 0.03 2.04 -0.00 0.00 -0.36 0.00 0.00 55.97 57.68 3a8j s LYS 18 Cb -0.14 -3.38 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 3a8j s LYS 18 CO -0.09 -0.49 0.86 -1.21 -0.36 0.00 0.00 175.35 174.06 3a8j s GLU 19 N 1.60 2.32 0.27 4.03 0.41 0.21 -4.94 118.70 122.59 3a8j s GLU 19 Ca 0.65 -0.77 -0.04 0.00 -0.41 0.00 0.00 54.97 54.40 3a8j s GLU 19 Cb -0.35 -2.41 0.34 0.00 -1.78 0.00 0.00 34.13 29.94 3a8j s GLU 19 CO 0.29 -0.94 1.92 0.00 -0.49 0.00 0.00 175.26 176.04 3a8j h ALA 20 N -0.15 1.35 -0.19 5.21 0.00 -1.95 -2.89 119.26 120.63 3a8j h ALA 20 Ca -0.41 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3a8j h ALA 20 Cb 1.29 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3a8j h ALA 20 CO 0.51 0.58 0.09 -0.40 0.00 0.00 0.00 179.25 180.03 3a8j n ASP 21 N -4.42 2.73 0.00 0.00 5.75 -1.26 -4.88 116.55 114.47 3a8j n ASP 21 Ca 0.13 -2.31 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 3a8j n ASP 21 Cb 0.07 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 3a8j n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a8j n GLY 22 N 0.13 2.02 3.49 6.12 0.00 -1.09 -5.02 105.19 110.83 3a8j n GLY 22 Ca 0.11 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3a8j n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8j s THR 23 N -0.47 2.00 -0.07 2.61 -4.23 -1.26 -4.65 115.64 109.56 3a8j s THR 23 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 3a8j s THR 23 Cb 0.00 -2.08 -0.00 0.00 1.34 0.00 0.00 72.50 71.75 3a8j s THR 23 CO 0.00 -0.00 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.54 3a8j s TYR 24 N -2.48 2.35 0.07 3.99 2.02 0.72 -0.61 117.35 123.41 3a8j s TYR 24 Ca 0.68 -0.83 -0.24 0.00 -0.37 0.00 0.00 57.07 56.32 3a8j s TYR 24 Cb -0.25 -1.57 -0.06 0.00 -0.40 0.00 0.00 41.96 39.68 3a8j s TYR 24 CO 0.65 -0.30 0.71 0.99 -1.57 0.00 0.00 175.55 176.03 3a8j s THR 25 N 0.13 4.66 -0.05 -0.71 2.01 -0.21 -0.24 115.64 121.23 3a8j s THR 25 Ca -0.11 1.53 0.04 0.00 0.31 0.00 0.00 61.69 63.46 3a8j s THR 25 Cb -0.15 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.29 3a8j s THR 25 CO 0.06 0.44 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 3a8j s VAL 26 N -0.52 1.27 0.00 3.82 1.01 0.12 -0.30 120.40 125.80 3a8j s VAL 26 Ca 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3a8j s VAL 26 Cb -0.21 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3a8j s VAL 26 CO 0.22 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3a8j n GLY 27 N 3.32 3.40 3.98 4.51 0.00 -0.99 -0.19 105.19 119.22 3a8j n GLY 27 Ca -0.19 -1.45 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 3a8j n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a8j s ILE 28 N -2.30 4.65 0.73 -0.61 -4.36 -1.26 -1.72 121.20 116.32 3a8j s ILE 28 Ca 0.00 -0.95 -0.09 0.00 -0.26 0.00 0.00 60.65 59.35 3a8j s ILE 28 Cb 0.00 -3.63 0.05 0.00 1.25 0.00 0.00 42.46 40.13 3a8j s ILE 28 CO 0.00 -0.26 1.07 0.42 0.24 0.00 0.00 174.94 176.41 3a8j s THR 29 N -2.11 2.51 0.20 8.37 -4.23 -0.53 -4.62 115.64 115.23 3a8j s THR 29 Ca 0.40 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.76 3a8j s THR 29 Cb -0.09 -3.12 0.14 0.00 1.34 0.00 0.00 72.50 70.77 3a8j s THR 29 CO 0.31 -0.14 1.75 -0.08 -0.54 0.00 0.00 174.62 175.92 3a8j h GLU 30 N -0.71 0.41 -0.37 3.99 4.57 -1.92 -0.40 114.58 120.15 3a8j h GLU 30 Ca -0.45 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.77 3a8j h GLU 30 Cb 1.31 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 3a8j h GLU 30 CO 0.63 0.27 0.00 1.25 -1.18 0.00 0.00 179.01 179.98 3a8j h HIS 31 N 0.43 -0.01 -0.47 0.92 2.76 -1.93 -2.06 115.15 114.79 3a8j h HIS 31 Ca 0.30 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 3a8j h HIS 31 Cb 0.34 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3a8j h HIS 31 CO -0.16 -0.06 -0.03 0.00 -1.30 0.00 0.00 177.93 176.38 3a8j h ALA 32 N 1.32 1.06 -0.14 5.26 0.00 -1.48 -2.46 119.26 122.82 3a8j h ALA 32 Ca 0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3a8j h ALA 32 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3a8j h ALA 32 CO -0.30 0.58 -0.53 -0.56 0.00 0.00 0.00 179.25 178.45 3a8j h GLN 33 N 0.74 0.39 -0.14 0.00 -0.00 -0.86 -2.06 115.11 113.18 3a8j h GLN 33 Ca 0.14 -0.24 0.05 0.00 -0.00 0.00 0.00 58.65 58.60 3a8j h GLN 33 Cb 0.50 0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 27.95 3a8j h GLN 33 CO 0.03 0.82 -0.19 1.49 -0.00 0.00 0.00 178.83 180.98 3a8j h GLU 34 N 0.30 -0.22 -0.27 0.06 4.22 -1.19 -0.77 114.58 116.72 3a8j h GLU 34 Ca 0.01 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.40 3a8j h GLU 34 Cb 1.03 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3a8j h GLU 34 CO 0.09 -0.15 -0.12 -0.07 -2.18 0.00 0.00 179.01 176.58 3a8j h LEU 35 N -0.23 0.43 0.01 1.64 3.38 -1.15 -3.04 115.31 116.35 3a8j h LEU 35 Ca 0.10 -0.11 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3a8j h LEU 35 Cb 0.38 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3a8j h LEU 35 CO -0.28 0.58 -1.13 0.25 0.09 0.00 0.00 178.44 177.95 3a8j h LEU 36 N 0.41 0.47 0.00 1.67 5.85 -1.09 -3.50 115.31 119.13 3a8j h LEU 36 Ca 0.08 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3a8j h LEU 36 Cb 0.47 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3a8j h LEU 36 CO 0.03 1.31 0.00 0.61 -0.34 0.00 0.00 178.44 180.05 3a8j n GLY 37 N 1.30 -1.85 3.70 3.75 0.00 -0.32 -4.74 105.19 107.04 3a8j n GLY 37 Ca -0.08 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3a8j n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8j s ASP 38 N -4.00 6.39 -0.05 1.61 1.01 -1.26 -4.86 116.67 115.51 3a8j s ASP 38 Ca 0.00 2.82 -0.26 0.00 0.71 0.00 0.00 52.55 55.82 3a8j s ASP 38 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3a8j s ASP 38 CO 0.00 -1.00 0.82 -0.04 0.21 0.00 0.00 175.17 175.16 3a8j s MET 39 N 2.09 4.47 -0.00 8.23 -1.94 -1.26 -3.41 119.30 127.47 3a8j s MET 39 Ca 0.79 1.10 0.01 0.00 -1.71 0.00 0.00 55.69 55.88 3a8j s MET 39 Cb -0.48 -3.46 -0.01 0.00 2.01 0.00 0.00 34.83 32.89 3a8j s MET 39 CO 0.35 -0.02 0.02 1.33 -0.01 0.00 0.00 175.02 176.69 3a8j n VAL 40 N 3.92 0.00 -3.64 -6.03 0.24 -0.28 -3.68 118.33 108.85 3a8j n VAL 40 Ca 0.02 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 3a8j n VAL 40 Cb 0.51 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 3a8j n VAL 40 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3a8j s PHE 41 N -1.70 -0.93 -0.10 6.34 5.36 -1.08 -4.83 117.98 121.03 3a8j s PHE 41 Ca -0.00 1.98 0.03 0.00 -0.96 0.00 0.00 56.93 57.98 3a8j s PHE 41 Cb 0.01 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 43.18 3a8j s PHE 41 CO 0.03 -0.46 -0.18 0.54 -1.46 0.00 0.00 175.22 173.69 3a8j s VAL 42 N 1.20 1.65 -0.75 3.12 0.11 -1.26 -0.37 120.40 124.10 3a8j s VAL 42 Ca -0.07 -0.76 -0.19 0.00 -2.93 0.00 0.00 61.98 58.04 3a8j s VAL 42 Cb -0.05 -1.46 0.12 0.00 -1.53 0.00 0.00 36.38 33.46 3a8j s VAL 42 CO -0.13 0.47 0.89 -0.62 -3.33 0.00 0.00 175.10 172.38 3a8j s ASP 43 N 0.66 6.41 0.69 3.54 -1.08 -0.12 -4.86 116.67 121.91 3a8j s ASP 43 Ca -0.13 -1.75 -0.14 0.00 -0.52 0.00 0.00 52.55 50.00 3a8j s ASP 43 Cb -0.16 -2.34 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 3a8j s ASP 43 CO 0.04 -1.07 1.13 -0.76 0.52 0.00 0.00 175.17 175.02 3a8j s LEU 44 N 2.52 3.33 0.89 -1.34 1.43 -1.26 -2.02 118.68 122.22 3a8j s LEU 44 Ca 0.21 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3a8j s LEU 44 Cb -0.15 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.65 3a8j s LEU 44 CO -0.01 -1.82 1.11 -2.16 0.23 0.00 0.00 176.35 173.71 3a8j s PRO 45 N -4.16 1.25 -0.15 1.29 0.05 -1.25 -4.89 135.00 127.15 3a8j s PRO 45 Ca 0.68 1.29 -0.26 0.00 0.05 0.00 0.00 61.00 62.76 3a8j s PRO 45 Cb -0.22 -1.77 -0.02 0.00 0.05 0.00 0.00 34.50 32.55 3a8j s PRO 45 CO 0.44 -2.39 0.86 -1.21 0.05 0.00 0.00 177.00 174.75 3a8j s GLU 46 N -4.74 4.33 0.28 4.56 0.41 -1.26 -4.85 118.70 117.43 3a8j s GLU 46 Ca 0.65 1.08 -0.30 0.00 -0.41 0.00 0.00 54.97 55.99 3a8j s GLU 46 Cb -0.21 -3.56 -0.13 0.00 -1.78 0.00 0.00 34.13 28.46 3a8j s GLU 46 CO 0.58 -0.29 1.43 0.28 -0.49 0.00 0.00 175.26 176.76 3a8j n VAL 47 N 4.62 1.26 0.00 2.63 0.31 -1.26 -2.15 118.33 123.74 3a8j n VAL 47 Ca 0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3a8j n VAL 47 Cb 0.49 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3a8j n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a8j n GLY 48 N 1.76 2.62 3.77 2.92 0.00 0.31 -5.00 105.19 111.58 3a8j n GLY 48 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3a8j n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8j s ALA 49 N -2.23 2.45 -0.06 4.61 0.00 -0.91 -4.64 121.76 120.98 3a8j s ALA 49 Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 3a8j s ALA 49 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3a8j s ALA 49 CO 0.00 -1.32 0.02 0.99 0.00 0.00 0.00 175.76 175.45 3a8j s THR 50 N -2.38 4.40 0.04 0.00 2.01 -1.26 -2.14 115.64 116.31 3a8j s THR 50 Ca 0.67 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.36 3a8j s THR 50 Cb -0.20 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 3a8j s THR 50 CO 0.43 0.53 -0.05 0.68 -0.69 0.00 0.00 174.62 175.52 3a8j s VAL 51 N -0.97 0.33 -0.04 3.82 -7.23 -0.52 -5.02 120.40 110.76 3a8j s VAL 51 Ca 0.16 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 3a8j s VAL 51 Cb -0.11 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 3a8j s VAL 51 CO 0.05 -0.65 -0.05 -0.44 -0.31 0.00 0.00 175.10 173.70 3a8j s SER 52 N -2.09 4.78 -0.14 4.85 0.01 -1.26 -1.72 113.70 118.13 3a8j s SER 52 Ca -0.05 -0.03 -0.33 0.00 1.31 0.00 0.00 55.95 56.86 3a8j s SER 52 Cb -0.03 -1.21 -0.15 0.00 0.21 0.00 0.00 66.02 64.83 3a8j s SER 52 CO -0.03 0.33 0.97 0.00 0.41 0.00 0.00 173.24 174.92 3a8j n ALA 53 N 1.94 -2.23 0.00 1.44 0.00 -1.19 -0.27 120.51 120.20 3a8j n ALA 53 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3a8j n ALA 53 Cb 0.53 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3a8j n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8j n GLY 54 N 1.86 0.99 3.75 0.00 0.00 0.14 -4.93 105.19 107.02 3a8j n GLY 54 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3a8j n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8j s ASP 55 N -2.17 5.44 -0.76 1.61 1.01 0.63 -4.70 116.67 117.73 3a8j s ASP 55 Ca 0.00 2.61 -0.25 0.00 0.71 0.00 0.00 52.55 55.62 3a8j s ASP 55 Cb 0.00 -2.62 0.05 0.00 1.01 0.00 0.00 42.92 41.36 3a8j s ASP 55 CO 0.00 -1.44 1.21 -0.62 0.21 0.00 0.00 175.17 174.53 3a8j s ASP 56 N -1.14 6.23 -0.01 0.27 -1.08 -1.26 -1.37 116.67 118.32 3a8j s ASP 56 Ca 0.71 -0.81 0.09 0.00 -0.52 0.00 0.00 52.55 52.02 3a8j s ASP 56 Cb -0.36 -2.51 -0.12 0.00 -1.46 0.00 0.00 42.92 38.46 3a8j s ASP 56 CO 0.43 -1.65 0.27 0.00 0.52 0.00 0.00 175.17 174.74 3a8j s ALA 58 N -2.29 -0.33 -0.15 0.00 0.00 -1.07 -3.75 121.76 114.17 3a8j s ALA 58 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 3a8j s ALA 58 Cb 0.06 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.08 3a8j s ALA 58 CO 0.37 -0.71 -0.08 0.08 0.00 0.00 0.00 175.76 175.42 3a8j s VAL 59 N -3.94 1.22 -0.29 0.00 1.01 -0.86 -0.54 120.40 117.00 3a8j s VAL 59 Ca 0.15 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3a8j s VAL 59 Cb 0.02 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3a8j s VAL 59 CO -0.01 0.29 0.48 0.00 0.00 0.00 0.00 175.10 175.86 3a8j s ALA 60 N 1.61 3.55 -0.28 5.51 0.00 0.13 -0.94 121.76 131.34 3a8j s ALA 60 Ca 0.03 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 3a8j s ALA 60 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 3a8j s ALA 60 CO -0.09 -0.85 0.08 -1.21 0.00 0.00 0.00 175.76 173.69 3a8j s GLU 61 N 2.27 3.33 0.52 0.00 2.02 0.50 0.10 118.70 127.44 3a8j s GLU 61 Ca 0.19 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3a8j s GLU 61 Cb -0.16 -3.36 0.10 0.00 0.10 0.00 0.00 34.13 30.82 3a8j s GLU 61 CO 0.10 -0.34 0.71 -1.13 0.02 0.00 0.00 175.26 174.63 3a8j n SER 62 N 4.90 1.13 -0.42 -0.19 3.41 -1.26 -1.13 113.62 120.06 3a8j n SER 62 Ca -0.15 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 3a8j n SER 62 Cb 0.49 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3a8j n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3a8j n VAL 63 N -2.36 0.00 -1.36 -3.33 0.31 -1.22 -4.70 118.33 105.67 3a8j n VAL 63 Ca 0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.15 3a8j n VAL 63 Cb 0.44 -0.11 0.10 0.00 -0.91 0.00 0.00 33.84 33.36 3a8j n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a8j s ALA 65 N -1.17 2.09 -0.04 3.52 0.00 -1.26 -5.15 121.76 119.75 3a8j s ALA 65 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 3a8j s ALA 65 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 3a8j s ALA 65 CO 0.00 -1.86 0.53 0.00 0.00 0.00 0.00 175.76 174.43 3a8j s ALA 66 N -2.99 3.51 -0.02 0.00 0.00 -1.26 -4.41 121.76 116.58 3a8j s ALA 66 Ca 0.61 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3a8j s ALA 66 Cb -0.16 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 3a8j s ALA 66 CO 0.56 0.14 -0.14 -1.54 0.00 0.00 0.00 175.76 174.78 3a8j s SER 67 N 0.00 1.69 0.24 0.00 1.04 0.28 -4.98 113.70 111.97 3a8j s SER 67 Ca 0.29 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 3a8j s SER 67 Cb -0.17 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.59 3a8j s SER 67 CO 0.14 0.16 1.00 -1.81 0.98 0.00 0.00 173.24 173.71 3a8j s ASP 68 N -0.20 7.50 -0.19 7.02 1.01 -1.26 0.18 116.67 130.72 3a8j s ASP 68 Ca 0.03 2.05 -0.05 0.00 0.71 0.00 0.00 52.55 55.29 3a8j s ASP 68 Cb -0.07 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 3a8j s ASP 68 CO 0.00 0.02 -0.01 -0.63 0.21 0.00 0.00 175.17 174.77 3a8j s ILE 69 N -1.02 3.99 -0.15 0.77 1.01 0.29 -4.87 121.20 121.22 3a8j s ILE 69 Ca 0.43 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 3a8j s ILE 69 Cb -0.28 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3a8j s ILE 69 CO 0.35 0.45 0.14 -0.31 0.00 0.00 0.00 174.94 175.57 3a8j s TYR 70 N 0.81 3.52 -0.05 3.97 2.02 -1.26 -1.37 117.35 124.98 3a8j s TYR 70 Ca 0.00 0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.86 3a8j s TYR 70 Cb -0.14 -2.05 -0.07 0.00 -0.40 0.00 0.00 41.96 39.30 3a8j s TYR 70 CO 0.02 0.53 1.95 0.00 -1.57 0.00 0.00 175.55 176.48 3a8j s ALA 71 N -0.39 3.38 -0.82 3.71 0.00 -0.47 -4.85 121.76 122.33 3a8j s ALA 71 Ca 0.12 1.08 0.26 0.00 0.00 0.00 0.00 51.96 53.43 3a8j s ALA 71 Cb -0.12 -3.88 0.97 0.00 0.00 0.00 0.00 23.12 20.09 3a8j s ALA 71 CO 0.01 -1.84 1.81 -0.35 0.00 0.00 0.00 175.76 175.40 3a8j n PRO 72 N 7.75 0.15 -3.90 0.00 -0.04 -1.26 0.27 135.00 137.97 3a8j n PRO 72 Ca 0.21 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.74 3a8j n PRO 72 Cb 0.42 -1.69 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 3a8j n PRO 72 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3a8j s VAL 73 N -3.08 0.08 0.31 0.52 -7.23 -1.26 -4.83 120.40 104.91 3a8j s VAL 73 Ca 0.11 -1.23 -0.14 0.00 -1.81 0.00 0.00 61.98 58.91 3a8j s VAL 73 Cb 0.14 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 35.32 3a8j s VAL 73 CO 0.54 -0.35 0.71 -0.44 -0.31 0.00 0.00 175.10 175.25 3a8j s SER 74 N -2.93 6.75 0.00 4.85 0.01 -1.26 -3.18 113.70 117.94 3a8j s SER 74 Ca 0.13 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.62 3a8j s SER 74 Cb 0.03 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.91 3a8j s SER 74 CO -0.03 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.04 3a8j n GLY 75 N -0.33 -0.33 3.37 3.44 0.00 -0.70 -1.69 105.19 108.95 3a8j n GLY 75 Ca 0.03 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 3a8j n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a8j s GLU 76 N -2.00 2.80 -0.70 1.61 2.12 0.83 -1.44 118.70 121.92 3a8j s GLU 76 Ca 0.00 -0.76 -0.27 0.00 0.36 0.00 0.00 54.97 54.30 3a8j s GLU 76 Cb 0.00 -2.39 0.02 0.00 0.26 0.00 0.00 34.13 32.02 3a8j s GLU 76 CO 0.00 0.41 1.40 0.42 -0.54 0.00 0.00 175.26 176.95 3a8j s ILE 77 N -0.19 3.65 -0.52 -3.70 -1.09 -0.91 0.57 121.20 119.01 3a8j s ILE 77 Ca -0.01 0.39 0.24 0.00 -2.23 0.00 0.00 60.65 59.04 3a8j s ILE 77 Cb -0.13 -4.70 0.18 0.00 -1.58 0.00 0.00 42.46 36.23 3a8j s ILE 77 CO 0.03 -1.63 1.47 -0.37 -1.23 0.00 0.00 174.94 173.21 3a8j h VAL 78 N 6.22 0.00 -1.96 2.92 -1.51 -1.59 0.91 116.25 121.24 3a8j h VAL 78 Ca -0.27 -0.74 -0.04 0.00 -1.23 0.00 0.00 66.70 64.42 3a8j h VAL 78 Cb 1.07 1.53 -0.20 0.00 -2.13 0.00 0.00 31.29 31.56 3a8j h VAL 78 CO 1.26 0.00 0.20 0.00 -1.23 0.00 0.00 177.57 177.80 3a8j s ALA 79 N -3.20 -1.79 0.26 5.19 0.00 -1.18 -4.77 121.76 116.27 3a8j s ALA 79 Ca 0.06 1.55 0.11 0.00 0.00 0.00 0.00 51.96 53.68 3a8j s ALA 79 Cb 0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 3a8j s ALA 79 CO 0.69 -0.35 -0.10 0.14 0.00 0.00 0.00 175.76 176.13 3a8j s VAL 80 N -0.70 2.99 -0.63 0.00 -7.23 -1.26 -0.45 120.40 113.12 3a8j s VAL 80 Ca -0.07 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 57.82 3a8j s VAL 80 Cb -0.02 -2.57 0.10 0.00 0.56 0.00 0.00 36.38 34.46 3a8j s VAL 80 CO 0.06 -0.34 0.79 0.21 -0.31 0.00 0.00 175.10 175.51 3a8j s ASN 81 N -3.47 6.22 0.55 4.85 2.47 -0.45 -4.88 114.94 120.23 3a8j s ASN 81 Ca 0.30 -1.40 0.34 0.00 0.42 0.00 0.00 52.86 52.52 3a8j s ASN 81 Cb -0.06 -2.33 1.42 0.00 -1.45 0.00 0.00 41.25 38.83 3a8j s ASN 81 CO 0.17 -1.18 2.00 0.44 -3.72 0.00 0.00 177.10 174.81 3a8j h ASP 82 N 9.22 0.00 0.84 -4.21 5.19 -1.94 -2.00 116.42 123.52 3a8j h ASP 82 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3a8j h ASP 82 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 3a8j h ASP 82 CO 1.11 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 177.23 3a8j h ALA 83 N 2.01 1.00 0.00 3.45 0.00 -1.95 -1.40 119.26 122.36 3a8j h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a8j h ALA 83 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3a8j h ALA 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 3a8j h LEU 84 N 0.00 0.00 -1.72 0.00 3.38 -1.58 0.48 115.31 115.87 3a8j h LEU 84 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a8j h LEU 84 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3a8j h LEU 84 CO 0.00 0.00 0.15 0.28 0.09 0.00 0.00 178.44 178.96 3a8j h SER 85 N 0.00 0.30 0.00 -0.43 0.02 -1.42 -2.85 113.55 109.17 3a8j h SER 85 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3a8j h SER 85 Cb 0.46 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3a8j h SER 85 CO 0.00 0.23 -1.19 0.47 -1.14 0.00 0.00 176.83 175.20 3a8j n ASP 86 N -4.48 4.21 -3.15 3.07 8.00 -1.15 -4.75 116.55 118.30 3a8j n ASP 86 Ca 0.01 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.24 3a8j n ASP 86 Cb 0.08 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 42.01 3a8j n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3a8j n SER 87 N -1.86 4.13 0.22 -2.24 7.64 0.15 -4.91 113.62 116.75 3a8j n SER 87 Ca -0.03 -3.58 0.15 0.00 1.01 0.00 0.00 58.87 56.43 3a8j n SER 87 Cb 0.33 -0.61 0.67 0.00 -1.01 0.00 0.00 64.21 63.60 3a8j n SER 87 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a8j h PRO 88 N 3.49 0.00 0.00 1.43 0.13 -1.72 -2.23 132.00 133.10 3a8j h PRO 88 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3a8j h PRO 88 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3a8j h PRO 88 CO 0.82 0.00 0.19 1.05 -0.23 0.00 0.00 178.00 179.84 3a8j h GLU 89 N 0.00 0.00 0.00 0.86 9.09 -1.89 -2.39 114.58 120.25 3a8j h GLU 89 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3a8j h GLU 89 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3a8j h GLU 89 CO 0.00 0.00 -0.13 -0.07 0.05 0.00 0.00 179.01 178.86 3a8j h LEU 90 N 0.00 0.00 -1.62 3.06 3.38 -1.75 -0.23 115.31 118.15 3a8j h LEU 90 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3a8j h LEU 90 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3a8j h LEU 90 CO 0.00 0.13 -0.07 0.58 0.09 0.00 0.00 178.44 179.17 3a8j h VAL 91 N 0.00 1.12 0.05 1.22 2.07 -1.65 0.21 116.25 119.27 3a8j h VAL 91 Ca -0.00 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 3a8j h VAL 91 Cb 0.28 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3a8j h VAL 91 CO 0.02 0.16 -0.50 0.78 0.02 0.00 0.00 177.57 178.04 3a8j h ASN 92 N 0.16 0.17 0.78 0.57 4.21 -1.31 -3.20 115.58 116.96 3a8j h ASN 92 Ca 0.04 -0.92 -0.25 0.00 1.21 0.00 0.00 56.30 56.38 3a8j h ASN 92 Cb 0.22 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 3a8j h ASN 92 CO 0.01 1.22 -1.22 0.77 -1.29 0.00 0.00 177.43 176.93 3a8j h SER 93 N -0.76 0.14 -2.04 5.81 4.64 -1.07 -3.38 113.55 116.89 3a8j h SER 93 Ca -0.11 -0.17 -0.55 0.00 -0.47 0.00 0.00 61.79 60.49 3a8j h SER 93 Cb 1.29 -0.04 -0.40 0.00 -0.31 0.00 0.00 62.40 62.94 3a8j h SER 93 CO 0.03 1.13 -1.03 -0.62 -0.87 0.00 0.00 176.83 175.47 3a8j n GLU 94 N -3.36 1.12 0.19 4.77 1.02 0.73 -4.97 120.64 120.14 3a8j n GLU 94 Ca -0.06 -3.52 0.07 0.00 -0.02 0.00 0.00 57.16 53.62 3a8j n GLU 94 Cb 0.99 -1.49 0.58 0.00 -0.02 0.00 0.00 31.44 31.50 3a8j n GLU 94 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3a8j h PRO 95 N 3.82 0.14 -0.11 3.49 0.13 -1.59 0.63 132.00 138.51 3a8j h PRO 95 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3a8j h PRO 95 Cb 0.85 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3a8j h PRO 95 CO 0.54 0.10 0.00 0.66 -0.23 0.00 0.00 178.00 179.06 3a8j n TYR 96 N -4.52 0.11 0.00 1.56 4.01 -1.26 -4.15 117.16 112.91 3a8j n TYR 96 Ca -0.01 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3a8j n TYR 96 Cb 0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3a8j n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a8j n ALA 97 N 1.28 0.00 0.27 -0.72 0.00 -0.82 -4.86 120.51 115.66 3a8j n ALA 97 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.74 3a8j n ALA 97 Cb 0.56 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.83 3a8j n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a8j h GLY 98 N 0.00 0.00 1.56 0.00 0.00 -1.87 -2.27 103.07 100.49 3a8j h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a8j h GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a8j n GLY 99 N -0.87 -1.13 3.47 4.60 0.00 0.21 -4.79 105.19 106.68 3a8j n GLY 99 Ca -0.01 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3a8j n GLY 99 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3a8j n TRP 100 N -1.28 -0.40 -0.07 1.61 4.27 -0.86 -4.46 117.44 116.25 3a8j n TRP 100 Ca 0.12 0.57 -0.16 0.00 -3.89 0.00 0.00 57.50 54.14 3a8j n TRP 100 Cb 0.20 -2.00 -0.05 0.00 -1.36 0.00 0.00 31.31 28.10 3a8j n TRP 100 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 3a8j n ILE 101 N -0.98 0.88 -4.02 -1.67 5.41 0.73 -4.62 119.36 115.09 3a8j n ILE 101 Ca 0.11 -0.19 -0.10 0.00 1.00 0.00 0.00 62.75 63.58 3a8j n ILE 101 Cb 0.41 -1.73 -0.07 0.00 -0.71 0.00 0.00 39.64 37.54 3a8j n ILE 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3a8j s PHE 102 N -2.30 0.52 0.00 1.39 -0.71 -0.80 -1.34 117.98 114.75 3a8j s PHE 102 Ca -0.21 -0.86 0.07 0.00 -1.04 0.00 0.00 56.93 54.89 3a8j s PHE 102 Cb 0.08 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.85 3a8j s PHE 102 CO 0.27 -0.85 -0.23 0.15 -1.34 0.00 0.00 175.22 173.23 3a8j s LYS 103 N -4.03 1.73 -0.05 1.99 -0.14 0.41 0.14 119.74 119.79 3a8j s LYS 103 Ca 0.24 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 3a8j s LYS 103 Cb 0.02 -1.73 0.03 0.00 -1.68 0.00 0.00 37.83 34.46 3a8j s LYS 103 CO 0.07 0.47 -0.01 -1.50 -0.76 0.00 0.00 175.35 173.61 3a8j s ILE 104 N -0.62 0.35 -0.64 2.17 2.07 0.66 -1.43 121.20 123.77 3a8j s ILE 104 Ca 0.09 0.03 -0.26 0.00 -1.41 0.00 0.00 60.65 59.10 3a8j s ILE 104 Cb -0.09 -0.44 0.04 0.00 0.13 0.00 0.00 42.46 42.11 3a8j s ILE 104 CO 0.00 0.20 1.12 -0.75 -1.91 0.00 0.00 174.94 173.61 3a8j s LYS 105 N 1.25 3.29 0.16 3.50 2.47 0.19 -0.20 119.74 130.40 3a8j s LYS 105 Ca -0.06 -0.23 -0.30 0.00 -1.56 0.00 0.00 55.97 53.81 3a8j s LYS 105 Cb -0.13 -4.12 -0.07 0.00 -1.46 0.00 0.00 37.83 32.05 3a8j s LYS 105 CO -0.02 -1.82 1.05 0.00 0.16 0.00 0.00 175.35 174.72 3a8j s ALA 106 N 4.82 3.33 -1.34 3.13 0.00 -1.26 -0.12 121.76 130.33 3a8j s ALA 106 Ca 0.34 0.74 0.12 0.00 0.00 0.00 0.00 51.96 53.15 3a8j s ALA 106 Cb -0.11 -3.32 0.20 0.00 0.00 0.00 0.00 23.12 19.89 3a8j s ALA 106 CO 0.18 -0.13 1.06 -1.13 0.00 0.00 0.00 175.76 175.73 3a8j n SER 107 N 2.43 2.46 -3.63 0.00 3.41 -0.68 -4.93 113.62 112.67 3a8j n SER 107 Ca 0.02 -1.72 -0.28 0.00 -0.26 0.00 0.00 58.87 56.63 3a8j n SER 107 Cb 0.47 -0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.16 3a8j n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a8j s ASP 108 N -1.02 3.34 0.20 4.04 2.15 -1.26 -5.01 116.67 119.10 3a8j s ASP 108 Ca 0.19 -1.17 -0.11 0.00 0.43 0.00 0.00 52.55 51.90 3a8j s ASP 108 Cb 0.12 -0.50 0.25 0.00 -0.30 0.00 0.00 42.92 42.49 3a8j s ASP 108 CO 0.16 -0.39 1.74 -0.08 -0.17 0.00 0.00 175.17 176.43 3a8j h GLU 109 N 8.31 0.35 -0.85 4.34 4.22 -1.98 -2.33 114.58 126.64 3a8j h GLU 109 Ca -0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.22 3a8j h GLU 109 Cb 1.06 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 3a8j h GLU 109 CO 0.40 0.23 0.42 0.66 -2.18 0.00 0.00 179.01 178.54 3a8j h SER 110 N 0.36 1.10 -0.04 1.04 4.64 -1.99 -2.46 113.55 116.21 3a8j h SER 110 Ca 0.29 -0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.52 3a8j h SER 110 Cb 0.36 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 3a8j h SER 110 CO -0.30 0.92 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.96 3a8j h GLU 111 N 1.21 -0.40 -0.94 4.77 5.08 -1.85 -0.72 114.58 121.73 3a8j h GLU 111 Ca 0.29 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.82 3a8j h GLU 111 Cb 0.10 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 3a8j h GLU 111 CO -0.04 -0.27 0.60 -0.07 -1.00 0.00 0.00 179.01 178.23 3a8j h LEU 112 N -0.42 0.76 -0.71 1.33 3.38 -1.27 0.22 115.31 118.60 3a8j h LEU 112 Ca 0.07 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3a8j h LEU 112 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3a8j h LEU 112 CO -0.27 0.38 -0.61 -0.33 0.09 0.00 0.00 178.44 177.70 3a8j h GLU 113 N 0.80 0.00 -0.00 1.13 5.08 -0.97 -3.11 114.58 117.51 3a8j h GLU 113 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 3a8j h GLU 113 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3a8j h GLU 113 CO -0.24 0.61 -0.03 -1.13 -1.00 0.00 0.00 179.01 177.21 3a8j n SER 114 N -3.71 0.13 -4.77 1.42 3.41 0.03 -4.90 113.62 105.24 3a8j n SER 114 Ca -0.01 -0.37 -0.40 0.00 -0.26 0.00 0.00 58.87 57.83 3a8j n SER 114 Cb 0.63 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 3a8j n SER 114 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3a8j s LEU 115 N -2.47 4.25 0.21 1.04 1.43 -0.96 -4.97 118.68 117.20 3a8j s LEU 115 Ca 0.31 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.81 3a8j s LEU 115 Cb 0.20 -3.85 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 3a8j s LEU 115 CO 0.45 -0.82 1.19 -0.76 0.23 0.00 0.00 176.35 176.64 3a8j s LEU 116 N -2.32 4.47 0.92 1.79 1.02 -0.28 -4.80 118.68 119.48 3a8j s LEU 116 Ca 0.56 2.26 -0.14 0.00 0.02 0.00 0.00 54.13 56.83 3a8j s LEU 116 Cb -0.39 -3.61 0.19 0.00 0.02 0.00 0.00 46.19 42.39 3a8j s LEU 116 CO 0.51 -0.34 1.27 1.51 0.02 0.00 0.00 176.35 179.32 3a8j s ASP 117 N -0.07 3.34 0.12 2.29 -4.77 -1.26 -0.49 116.67 115.84 3a8j s ASP 117 Ca 0.51 0.21 -0.29 0.00 -3.30 0.00 0.00 52.55 49.68 3a8j s ASP 117 Cb -0.33 -0.32 -0.06 0.00 -1.09 0.00 0.00 42.92 41.12 3a8j s ASP 117 CO 0.38 -2.58 1.60 0.00 0.70 0.00 0.00 175.17 175.26 3a8j h ALA 118 N -1.47 -0.58 -0.95 2.11 0.00 -1.77 -1.11 119.26 115.49 3a8j h ALA 118 Ca -0.43 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3a8j h ALA 118 Cb 1.24 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 3a8j h ALA 118 CO 0.40 -0.90 0.61 1.79 0.00 0.00 0.00 179.25 181.15 3a8j h THR 119 N -0.53 1.14 -0.35 0.00 1.35 -1.93 0.21 112.91 112.80 3a8j h THR 119 Ca 0.06 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 3a8j h THR 119 Cb 0.62 -0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.88 3a8j h THR 119 CO -0.31 0.21 0.13 0.00 -0.25 0.00 0.00 175.52 175.30 3a8j h ALA 120 N 1.40 1.58 -0.11 6.62 0.00 -1.85 -1.93 119.26 124.97 3a8j h ALA 120 Ca 0.39 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3a8j h ALA 120 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a8j h ALA 120 CO -0.14 0.33 -0.14 -0.92 0.00 0.00 0.00 179.25 178.38 3a8j h TYR 121 N 0.49 0.36 -0.09 0.00 3.20 0.58 -2.70 116.97 118.81 3a8j h TYR 121 Ca 0.12 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3a8j h TYR 121 Cb 0.12 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3a8j h TYR 121 CO 0.00 0.73 0.10 1.49 -1.64 0.00 0.00 178.16 178.85 3a8j h GLU 122 N -0.11 0.00 0.00 1.82 4.81 -0.51 -0.83 114.58 119.76 3a8j h GLU 122 Ca 0.01 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.02 3a8j h GLU 122 Cb 0.69 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 3a8j h GLU 122 CO 0.03 0.00 -1.40 0.00 -0.73 0.00 0.00 179.01 176.91 3a8j h ALA 123 N 1.88 0.66 -0.64 2.92 0.00 -1.37 -2.30 119.26 120.42 3a8j h ALA 123 Ca 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 54.91 53.81 3a8j h ALA 123 Cb 0.24 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3a8j h ALA 123 CO -0.00 1.25 0.26 1.25 0.00 0.00 0.00 179.25 182.00 3a8j h LEU 124 N 0.00 0.86 0.56 0.00 6.46 -0.83 0.33 115.31 122.68 3a8j h LEU 124 Ca -0.18 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.43 3a8j h LEU 124 Cb 1.79 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 41.50 3a8j h LEU 124 CO 0.08 0.77 -0.27 -0.07 -0.62 0.00 0.00 178.44 178.33 3a8j h LEU 125 N 0.92 -0.64 -1.13 2.25 3.38 -1.47 -3.05 115.31 115.58 3a8j h LEU 125 Ca 0.22 -0.03 0.44 0.00 0.09 0.00 0.00 57.88 58.60 3a8j h LEU 125 Cb 0.18 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 40.93 3a8j h LEU 125 CO -0.02 -0.25 0.65 -0.62 0.09 0.00 0.00 178.44 178.29 3a8j n GLU 126 N -5.30 -0.05 0.26 1.13 -0.58 -0.87 -2.13 120.64 113.10 3a8j n GLU 126 Ca -0.11 1.34 -0.16 0.00 -0.42 0.00 0.00 57.16 57.82 3a8j n GLU 126 Cb 0.33 -2.49 -0.08 0.00 -0.57 0.00 0.00 31.44 28.63 3a8j n GLU 126 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 3a8j h ASP 127 N 0.00 -0.54 0.00 1.62 3.58 -0.83 -3.51 116.42 116.75 3a8j h ASP 127 Ca 0.86 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.27 3a8j h ASP 127 Cb 2.45 0.14 0.00 0.00 1.72 0.00 0.00 39.33 43.64 3a8j h ASP 127 CO -0.67 -0.29 0.00 -0.62 -2.88 0.00 0.00 179.24 174.77