#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj s GLU 3 N 0.00 1.25 0.13 0.00 0.41 -1.26 -5.11 118.70 114.12 3dxj s GLU 3 Ca 0.00 -1.49 -0.34 0.00 -0.41 0.00 0.00 54.97 52.74 3dxj s GLU 3 Cb 0.00 -2.71 -0.17 0.00 -1.78 0.00 0.00 34.13 29.47 3dxj s GLU 3 CO 0.00 -0.91 0.98 -2.30 -0.49 0.00 0.00 175.26 172.54 3dxj n PRO 4 N 4.51 0.53 -1.31 0.39 -0.02 -1.26 -2.10 135.00 135.75 3dxj n PRO 4 Ca -0.00 0.19 -0.11 0.00 -2.02 0.00 0.00 63.50 61.55 3dxj n PRO 4 Cb 0.42 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 32.29 3dxj n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 5 N 1.85 1.09 0.33 -1.23 0.00 -1.26 -4.77 105.19 101.20 3dxj n GLY 5 Ca 0.17 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.44 3dxj n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dxj h ILE 6 N 0.00 0.13 0.60 -0.61 6.09 -1.87 0.33 117.51 122.18 3dxj h ILE 6 Ca -0.23 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.18 3dxj h ILE 6 Cb 0.79 -0.00 0.01 0.00 0.47 0.00 0.00 36.82 38.08 3dxj h ILE 6 CO 0.34 0.02 -0.29 0.44 -3.07 0.00 0.00 178.15 175.60 3dxj h ASP 7 N 0.12 -0.68 -0.96 2.19 3.32 -1.86 -2.90 116.42 115.65 3dxj h ASP 7 Ca 0.74 -0.03 0.27 0.00 0.02 0.00 0.00 57.03 58.03 3dxj h ASP 7 Cb 1.77 0.18 -0.14 0.00 0.22 0.00 0.00 39.33 41.36 3dxj h ASP 7 CO -0.73 -0.32 0.48 0.50 -1.72 0.00 0.00 179.24 177.45 3dxj h LYS 8 N -1.08 0.36 0.12 3.56 3.64 -0.81 0.46 116.57 122.82 3dxj h LYS 8 Ca -0.08 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3dxj h LYS 8 Cb 0.67 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 3dxj h LYS 8 CO 0.14 0.24 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.14 3dxj h LEU 9 N 0.37 -1.00 -0.99 5.20 3.38 -1.01 -1.01 115.31 120.24 3dxj h LEU 9 Ca 0.65 0.11 0.35 0.00 0.09 0.00 0.00 57.88 59.09 3dxj h LEU 9 Cb 1.38 0.38 -0.16 0.00 0.09 0.00 0.00 40.66 42.35 3dxj h LEU 9 CO -0.58 -0.43 0.53 -0.26 0.09 0.00 0.00 178.44 177.79 3dxj h PHE 10 N -0.57 0.85 0.00 1.13 0.05 0.11 0.94 116.94 119.44 3dxj h PHE 10 Ca 0.03 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.86 3dxj h PHE 10 Cb 0.60 -0.21 0.00 0.00 2.00 0.00 0.00 35.95 38.35 3dxj h PHE 10 CO -0.31 -0.28 0.00 0.41 -0.18 0.00 0.00 178.31 177.96 3dxj n GLY 11 N -1.29 -1.27 0.53 -1.45 0.00 -0.40 -2.31 105.19 98.99 3dxj n GLY 11 Ca 0.33 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.52 3dxj n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dxj n MET 12 N -2.08 1.71 -4.28 1.61 2.81 0.32 -4.91 117.12 112.30 3dxj n MET 12 Ca 0.03 -1.05 -0.15 0.00 -1.81 0.00 0.00 57.70 54.72 3dxj n MET 12 Cb 0.24 -1.44 -0.10 0.00 -0.71 0.00 0.00 33.22 31.21 3dxj n MET 12 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3dxj s VAL 13 N -1.89 0.86 -0.98 2.03 -7.23 -0.98 -5.03 120.40 107.19 3dxj s VAL 13 Ca 0.35 -2.01 0.18 0.00 -1.81 0.00 0.00 61.98 58.69 3dxj s VAL 13 Cb 0.19 -2.21 -0.17 0.00 0.56 0.00 0.00 36.38 34.75 3dxj s VAL 13 CO 0.30 -0.41 0.79 -0.90 -0.31 0.00 0.00 175.10 174.57 3dxj n ASP 14 N -0.32 0.99 -3.77 4.85 5.75 -1.26 -4.93 116.55 117.85 3dxj n ASP 14 Ca -0.06 -0.99 -0.13 0.00 -0.01 0.00 0.00 54.79 53.60 3dxj n ASP 14 Cb 0.63 0.92 -0.12 0.00 -1.03 0.00 0.00 41.12 41.53 3dxj n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3dxj s SER 15 N -2.62 -0.26 0.00 -1.12 0.15 -1.26 -5.09 113.70 103.49 3dxj s SER 15 Ca 0.08 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.24 3dxj s SER 15 Cb 0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 3dxj s SER 15 CO 0.70 -0.11 0.17 1.17 1.20 0.00 0.00 173.24 176.38 3dxj n LYS 16 N 3.31 0.00 -0.24 5.44 4.81 -1.26 -2.65 118.16 127.57 3dxj n LYS 16 Ca -0.16 0.14 0.17 0.00 -0.87 0.00 0.00 58.31 57.59 3dxj n LYS 16 Cb 0.57 -0.67 0.32 0.00 0.02 0.00 0.00 35.03 35.26 3dxj n LYS 16 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dxj n TYR 17 N -0.31 0.65 -0.22 5.64 4.01 -1.26 -0.67 117.16 124.99 3dxj n TYR 17 Ca 0.00 0.85 -0.13 0.00 -0.16 0.00 0.00 57.90 58.46 3dxj n TYR 17 Cb 0.00 -1.15 -0.10 0.00 -0.31 0.00 0.00 39.34 37.78 3dxj n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3dxj h ARG 18 N 0.00 -0.27 -0.16 -0.72 2.43 -1.94 0.32 114.38 114.04 3dxj h ARG 18 Ca 0.52 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.72 3dxj h ARG 18 Cb 1.25 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3dxj h ARG 18 CO -0.61 -0.18 -0.10 1.25 -1.51 0.00 0.00 179.97 178.82 3dxj h LEU 19 N -0.28 -0.36 -0.16 3.80 5.85 -0.91 0.39 115.31 123.64 3dxj h LEU 19 Ca 0.10 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3dxj h LEU 19 Cb 0.55 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3dxj h LEU 19 CO -0.69 -0.04 -0.10 0.41 -0.34 0.00 0.00 178.44 177.68 3dxj n THR 20 N -3.36 -0.11 -0.34 1.05 -1.04 0.09 0.13 114.28 110.70 3dxj n THR 20 Ca 0.00 1.26 0.04 0.00 -2.04 0.00 0.00 64.05 63.32 3dxj n THR 20 Cb 0.04 -1.65 0.12 0.00 -1.82 0.00 0.00 70.33 67.03 3dxj n THR 20 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3dxj h VAL 21 N 0.00 0.06 0.03 12.58 2.07 0.17 -2.08 116.25 129.07 3dxj h VAL 21 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3dxj h VAL 21 Cb 0.07 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3dxj h VAL 21 CO -0.15 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 177.99 3dxj h VAL 22 N -0.00 0.00 -0.94 2.57 2.07 0.52 -2.96 116.25 117.51 3dxj h VAL 22 Ca 0.44 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.20 3dxj h VAL 22 Cb 0.68 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.27 3dxj h VAL 22 CO -0.97 0.00 -0.06 0.52 0.02 0.00 0.00 177.57 177.08 3dxj n VAL 23 N -2.33 -0.40 0.00 2.57 0.31 -0.24 -2.17 118.33 116.08 3dxj n VAL 23 Ca -0.01 2.10 0.00 0.00 -0.01 0.00 0.00 64.34 66.42 3dxj n VAL 23 Cb 0.02 -3.01 0.00 0.00 -0.91 0.00 0.00 33.84 29.94 3dxj n VAL 23 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj n ALA 24 N -3.34 -0.30 -0.44 3.52 0.00 -0.84 -2.20 120.51 116.91 3dxj n ALA 24 Ca 0.20 0.00 0.38 0.00 0.00 0.00 0.00 53.44 54.02 3dxj n ALA 24 Cb 0.64 0.14 0.65 0.00 0.00 0.00 0.00 19.45 20.89 3dxj n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dxj n LYS 25 N -2.09 -0.04 0.33 0.00 5.02 -0.92 0.18 118.16 120.63 3dxj n LYS 25 Ca 0.00 1.26 -0.17 0.00 -2.02 0.00 0.00 58.31 57.38 3dxj n LYS 25 Cb 0.00 -2.44 -0.09 0.00 -0.02 0.00 0.00 35.03 32.48 3dxj n LYS 25 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3dxj h ARG 26 N 0.00 -0.83 -0.54 1.97 9.65 -1.25 -1.97 114.38 121.41 3dxj h ARG 26 Ca 0.86 0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.89 3dxj h ARG 26 Cb 2.69 0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 31.38 3dxj h ARG 26 CO -0.52 -0.55 0.13 0.00 2.80 0.00 0.00 179.97 181.83 3dxj h ALA 27 N -0.49 0.64 -0.25 2.80 0.00 0.24 0.40 119.26 122.60 3dxj h ALA 27 Ca -0.07 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dxj h ALA 27 Cb 0.70 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3dxj h ALA 27 CO 0.08 -0.28 -0.19 1.96 0.00 0.00 0.00 179.25 180.82 3dxj h GLN 28 N 0.28 -0.06 0.08 0.00 4.20 -0.32 -2.74 115.11 116.56 3dxj h GLN 28 Ca 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3dxj h GLN 28 Cb 0.37 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3dxj h GLN 28 CO -0.34 -0.04 -0.04 -0.56 -0.67 0.00 0.00 178.83 177.18 3dxj h GLN 29 N -0.06 -0.11 0.00 1.46 3.07 -1.06 -3.07 115.11 115.34 3dxj h GLN 29 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.79 3dxj h GLN 29 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.75 3dxj h GLN 29 CO -0.26 0.16 0.00 -0.11 0.09 0.00 0.00 178.83 178.71 3dxj n LEU 30 N -5.02 0.00 -0.04 0.06 7.94 0.14 -0.67 117.00 119.41 3dxj n LEU 30 Ca -0.08 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.73 3dxj n LEU 30 Cb 0.18 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.10 3dxj n LEU 30 CO 0.33 0.00 -0.58 0.18 -1.11 0.00 0.00 177.39 176.21 3dxj n LEU 31 N -0.72 1.23 0.02 -1.96 4.77 -1.05 -4.12 117.00 115.18 3dxj n LEU 31 Ca 0.00 0.20 0.01 0.00 -0.03 0.00 0.00 56.01 56.19 3dxj n LEU 31 Cb 0.00 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 40.70 3dxj n LEU 31 CO 0.00 -0.19 0.55 0.54 -1.33 0.00 0.00 177.39 176.96 3dxj n ARG 32 N -3.78 0.02 -2.61 3.23 1.74 0.16 -0.78 116.66 114.63 3dxj n ARG 32 Ca -0.15 0.40 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 3dxj n ARG 32 Cb 0.43 -1.69 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3dxj n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3dxj n HIS 33 N -1.48 2.14 -2.56 -1.55 8.25 -0.70 -3.77 115.22 115.54 3dxj n HIS 33 Ca -0.00 -3.00 0.00 0.00 -0.26 0.00 0.00 57.72 54.46 3dxj n HIS 33 Cb 0.14 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3dxj n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dxj n GLY 34 N -0.23 1.66 0.00 -1.41 0.00 0.04 -3.65 105.19 101.60 3dxj n GLY 34 Ca 0.23 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3dxj n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dxj n PHE 35 N 8.33 0.00 0.00 1.61 3.01 -1.26 -3.53 117.46 125.62 3dxj n PHE 35 Ca 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3dxj n PHE 35 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 3dxj n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3dxj n LYS 36 N -0.11 0.00 0.09 -1.08 4.76 -1.24 -1.07 118.16 119.52 3dxj n LYS 36 Ca 0.00 0.31 -0.02 0.00 -2.87 0.00 0.00 58.31 55.73 3dxj n LYS 36 Cb 0.18 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 31.81 3dxj n LYS 36 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3dxj h ASN 37 N 0.00 0.00 -0.87 4.39 -0.26 -1.84 -3.48 115.58 113.53 3dxj h ASN 37 Ca 0.00 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.12 3dxj h ASN 37 Cb 0.03 0.00 0.08 0.00 -1.06 0.00 0.00 38.32 37.36 3dxj h ASN 37 CO 0.00 0.72 -0.27 1.07 -1.06 0.00 0.00 177.43 177.89 3dxj n THR 38 N -3.24 1.10 -0.76 2.81 5.66 -0.23 -4.85 114.28 114.77 3dxj n THR 38 Ca -0.00 -0.27 -0.09 0.00 -3.05 0.00 0.00 64.05 60.63 3dxj n THR 38 Cb 0.84 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.85 3dxj n THR 38 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3dxj n VAL 39 N 0.48 2.64 -3.71 1.08 0.31 -1.26 -4.83 118.33 113.03 3dxj n VAL 39 Ca 0.16 -1.43 -0.15 0.00 -0.01 0.00 0.00 64.34 62.91 3dxj n VAL 39 Cb 0.16 -0.46 -0.15 0.00 -0.91 0.00 0.00 33.84 32.49 3dxj n VAL 39 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3dxj s LEU 40 N -2.59 0.36 0.00 7.52 2.96 -1.26 -4.99 118.68 120.67 3dxj s LEU 40 Ca 0.47 0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 3dxj s LEU 40 Cb 0.38 0.39 0.17 0.00 0.50 0.00 0.00 46.19 47.63 3dxj s LEU 40 CO 0.11 -0.19 0.39 -1.84 -1.32 0.00 0.00 176.35 173.50 3dxj n GLU 41 N 4.67 -1.80 0.37 1.98 0.28 -1.26 -4.87 120.64 120.01 3dxj n GLU 41 Ca -0.18 -0.66 -0.19 0.00 -0.16 0.00 0.00 57.16 55.98 3dxj n GLU 41 Cb 0.51 -1.13 -0.10 0.00 1.43 0.00 0.00 31.44 32.15 3dxj n GLU 41 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3dxj h PRO 42 N 0.00 -1.05 -0.33 3.44 0.13 -2.01 -3.21 132.00 128.97 3dxj h PRO 42 Ca -0.18 0.07 0.05 0.00 -0.87 0.00 0.00 66.00 65.08 3dxj h PRO 42 Cb 0.60 0.24 -0.06 0.00 0.13 0.00 0.00 31.00 31.91 3dxj h PRO 42 CO 0.11 -0.70 -0.12 -1.91 -0.23 0.00 0.00 178.00 175.15 3dxj n GLU 43 N -5.59 -0.06 -3.33 0.86 2.13 -1.26 -2.24 120.64 111.15 3dxj n GLU 43 Ca -0.14 0.50 -0.47 0.00 0.66 0.00 0.00 57.16 57.72 3dxj n GLU 43 Cb 0.47 -0.75 -0.02 0.00 0.27 0.00 0.00 31.44 31.41 3dxj n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3dxj s GLU 44 N -5.34 3.56 -0.06 5.31 0.41 -1.21 -5.01 118.70 116.37 3dxj s GLU 44 Ca -0.05 -2.42 -0.07 0.00 -0.41 0.00 0.00 54.97 52.02 3dxj s GLU 44 Cb 0.07 -4.42 0.02 0.00 -1.78 0.00 0.00 34.13 28.02 3dxj s GLU 44 CO 0.24 -1.29 0.18 1.03 -0.49 0.00 0.00 175.26 174.93 3dxj s ARG 45 N 0.24 0.27 0.22 1.61 0.52 -0.95 -4.70 118.95 116.15 3dxj s ARG 45 Ca 0.17 0.15 -0.31 0.00 -0.52 0.00 0.00 55.73 55.22 3dxj s ARG 45 Cb -0.11 0.12 -0.11 0.00 0.52 0.00 0.00 34.95 35.38 3dxj s ARG 45 CO -0.08 -0.04 1.56 -2.14 0.02 0.00 0.00 175.30 174.61 3dxj s PRO 46 N -0.16 4.20 0.12 3.54 0.02 -1.26 -4.86 135.00 136.59 3dxj s PRO 46 Ca -0.03 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.42 3dxj s PRO 46 Cb -0.02 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.39 3dxj s PRO 46 CO 0.01 -0.58 0.03 1.63 -0.33 0.00 0.00 177.00 177.75 3dxj n LYS 47 N 3.15 1.08 -3.58 5.54 4.76 -1.26 0.30 118.16 128.15 3dxj n LYS 47 Ca 0.11 -0.93 -0.15 0.00 -2.87 0.00 0.00 58.31 54.48 3dxj n LYS 47 Cb 0.38 0.43 -0.06 0.00 -1.84 0.00 0.00 35.03 33.94 3dxj n LYS 47 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3dxj s MET 48 N -2.43 0.85 -1.01 1.97 -1.94 -0.54 -3.98 119.30 112.22 3dxj s MET 48 Ca 0.04 0.50 -0.03 0.00 -1.71 0.00 0.00 55.69 54.48 3dxj s MET 48 Cb 0.00 0.41 0.29 0.00 2.01 0.00 0.00 34.83 37.54 3dxj s MET 48 CO 0.03 -0.21 1.24 1.04 -0.01 0.00 0.00 175.02 177.12 3dxj n GLN 49 N 1.55 3.86 -4.37 2.03 6.02 -1.21 -2.73 117.38 122.54 3dxj n GLN 49 Ca -0.15 -4.55 -0.19 0.00 -0.01 0.00 0.00 57.00 52.10 3dxj n GLN 49 Cb 0.56 -2.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.25 3dxj n GLN 49 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3dxj s THR 50 N -2.35 1.28 -1.12 5.09 -4.23 -1.12 -4.67 115.64 108.53 3dxj s THR 50 Ca 0.32 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3dxj s THR 50 Cb 0.02 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.50 3dxj s THR 50 CO 0.03 -0.33 0.00 0.18 -0.54 0.00 0.00 174.62 173.96 3dxj n LEU 51 N -0.48 -1.09 -3.32 4.79 4.77 -1.26 -2.16 117.00 118.25 3dxj n LEU 51 Ca -0.05 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 3dxj n LEU 51 Cb 0.64 -2.09 0.04 0.00 -2.33 0.00 0.00 43.42 39.68 3dxj n LEU 51 CO 0.38 -0.25 0.08 -0.62 -1.33 0.00 0.00 177.39 175.64 3dxj n GLU 52 N -2.57 -1.77 -3.60 3.23 1.02 -1.26 -4.97 120.64 110.71 3dxj n GLU 52 Ca -0.14 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 3dxj n GLU 52 Cb 0.56 -5.31 0.00 0.00 -0.02 0.00 0.00 31.44 26.67 3dxj n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxj n GLY 53 N -1.47 -1.51 3.50 0.62 0.00 -0.92 -5.13 105.19 100.28 3dxj n GLY 53 Ca -0.07 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3dxj n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxj s LEU 54 N 0.00 3.14 -0.07 0.99 1.43 -1.22 -2.79 118.68 120.15 3dxj s LEU 54 Ca 0.00 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 3dxj s LEU 54 Cb 0.00 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3dxj s LEU 54 CO 0.00 0.23 0.19 -0.36 0.23 0.00 0.00 176.35 176.64 3dxj s PHE 55 N -0.00 -0.20 -0.29 0.29 0.40 -1.10 -4.87 117.98 112.20 3dxj s PHE 55 Ca -0.00 0.49 -0.42 0.00 -0.60 0.00 0.00 56.93 56.39 3dxj s PHE 55 Cb -0.14 0.07 -0.18 0.00 0.51 0.00 0.00 43.02 43.28 3dxj s PHE 55 CO 0.03 -0.11 1.57 -0.25 0.70 0.00 0.00 175.22 177.15 3dxj n ASP 56 N 2.90 1.58 -4.74 1.36 8.00 -1.24 -1.47 116.55 122.93 3dxj n ASP 56 Ca -0.13 1.13 -0.38 0.00 0.71 0.00 0.00 54.79 56.13 3dxj n ASP 56 Cb 0.58 -1.02 0.06 0.00 -0.02 0.00 0.00 41.12 40.72 3dxj n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dxj s ASP 57 N 2.59 4.84 -0.14 -2.24 -1.08 0.88 -4.81 116.67 116.72 3dxj s ASP 57 Ca 0.98 2.70 0.17 0.00 -0.52 0.00 0.00 52.55 55.89 3dxj s ASP 57 Cb -1.24 -2.63 -0.24 0.00 -1.46 0.00 0.00 42.92 37.35 3dxj s ASP 57 CO 0.69 -1.85 0.16 -0.81 0.52 0.00 0.00 175.17 173.88 3dxj n PRO 58 N -1.56 0.93 -1.53 4.34 -0.04 -1.26 -4.77 135.00 131.11 3dxj n PRO 58 Ca 0.14 -0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 3dxj n PRO 58 Cb 0.47 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 3dxj n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dxj n ASN 59 N -2.53 1.30 -0.31 3.54 2.85 -1.26 -4.80 115.26 114.04 3dxj n ASN 59 Ca -0.22 -0.44 -0.10 0.00 -0.11 0.00 0.00 54.58 53.70 3dxj n ASN 59 Cb 0.93 -1.30 -0.09 0.00 1.24 0.00 0.00 39.78 40.56 3dxj n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3dxj h ALA 60 N 15.63 -0.52 -0.42 5.20 0.00 -1.95 -2.14 119.26 135.05 3dxj h ALA 60 Ca -0.12 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dxj h ALA 60 Cb 1.23 1.27 -0.05 0.00 0.00 0.00 0.00 17.79 20.25 3dxj h ALA 60 CO 1.25 -0.86 -0.25 0.39 0.00 0.00 0.00 179.25 179.78 3dxj n GLU 61 N -4.95 -0.19 -0.15 0.00 4.71 -1.26 0.13 120.64 118.93 3dxj n GLU 61 Ca 0.01 0.69 -0.07 0.00 -0.01 0.00 0.00 57.16 57.78 3dxj n GLU 61 Cb 0.24 -1.02 -0.05 0.00 -1.01 0.00 0.00 31.44 29.60 3dxj n GLU 61 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3dxj h THR 62 N 0.00 0.00 -0.25 2.62 2.02 -1.77 0.28 112.91 115.81 3dxj h THR 62 Ca 0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3dxj h THR 62 Cb 0.17 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.52 3dxj h THR 62 CO -0.40 0.00 -0.51 -0.50 0.37 0.00 0.00 175.52 174.48 3dxj h TRP 63 N -0.12 -1.55 0.00 3.16 4.06 0.10 -1.85 115.95 119.75 3dxj h TRP 63 Ca 0.06 0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.08 3dxj h TRP 63 Cb 0.28 0.71 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3dxj h TRP 63 CO -0.82 -0.48 0.00 0.00 -3.56 0.00 0.00 178.44 173.58 3dxj n ALA 64 N -3.01 0.00 -0.35 1.49 0.00 0.71 -0.73 120.51 118.62 3dxj n ALA 64 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 3dxj n ALA 64 Cb 0.33 0.48 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 3dxj n ALA 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3dxj n MET 65 N -2.91 -0.33 -0.14 0.00 2.81 0.87 -0.48 117.12 116.93 3dxj n MET 65 Ca 0.00 1.27 -0.08 0.00 -1.81 0.00 0.00 57.70 57.08 3dxj n MET 65 Cb 0.00 -1.88 -0.06 0.00 -0.71 0.00 0.00 33.22 30.57 3dxj n MET 65 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dxj h LYS 66 N 0.00 -0.16 -0.59 0.03 1.79 -0.09 -1.68 116.57 115.86 3dxj h LYS 66 Ca 0.17 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.75 3dxj h LYS 66 Cb 0.38 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.95 3dxj h LYS 66 CO -0.80 -0.11 -0.36 0.93 -1.08 0.00 0.00 179.45 178.03 3dxj h GLU 67 N -0.17 -0.17 -0.46 3.15 5.08 0.43 -2.12 114.58 120.32 3dxj h GLU 67 Ca 0.06 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3dxj h GLU 67 Cb 0.33 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3dxj h GLU 67 CO -0.43 -0.11 -0.27 1.28 -1.00 0.00 0.00 179.01 178.48 3dxj n LEU 68 N -5.43 -0.49 -0.11 1.33 4.77 -0.47 -1.04 117.00 115.56 3dxj n LEU 68 Ca 0.04 1.32 -0.03 0.00 -0.03 0.00 0.00 56.01 57.31 3dxj n LEU 68 Cb 0.35 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3dxj n LEU 68 CO 0.00 -0.92 0.35 0.18 -1.33 0.00 0.00 177.39 175.68 3dxj n LEU 69 N -4.03 -0.29 -4.60 2.23 4.77 -0.81 -3.73 117.00 110.55 3dxj n LEU 69 Ca 0.01 0.92 -0.44 0.00 -0.03 0.00 0.00 56.01 56.47 3dxj n LEU 69 Cb 0.12 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3dxj n LEU 69 CO -0.07 -0.61 1.78 0.35 -1.33 0.00 0.00 177.39 177.51 3dxj n THR 70 N -3.53 0.43 0.00 -5.08 -2.24 -0.21 -4.73 114.28 98.91 3dxj n THR 70 Ca 0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3dxj n THR 70 Cb 0.07 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 65.90 3dxj n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dxj n GLY 71 N 5.51 -0.07 0.48 3.38 0.00 -1.24 -3.12 105.19 110.13 3dxj n GLY 71 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3dxj n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 72 N -0.87 0.00 -3.92 1.61 1.74 -1.26 -4.60 116.66 109.36 3dxj n ARG 72 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3dxj n ARG 72 Cb 0.09 -0.99 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 3dxj n ARG 72 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3dxj s LEU 73 N -0.04 1.71 0.01 0.55 2.96 -1.18 -4.97 118.68 117.72 3dxj s LEU 73 Ca 0.00 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 3dxj s LEU 73 Cb 0.00 0.72 -0.01 0.00 0.50 0.00 0.00 46.19 47.41 3dxj s LEU 73 CO 0.00 -0.58 0.00 0.68 -1.32 0.00 0.00 176.35 175.13 3dxj s VAL 74 N -3.07 0.06 0.30 1.68 -7.23 -1.26 -5.07 120.40 105.81 3dxj s VAL 74 Ca -0.01 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 3dxj s VAL 74 Cb 0.01 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.73 3dxj s VAL 74 CO -0.07 -0.27 0.08 0.72 -0.31 0.00 0.00 175.10 175.25 3dxj s PHE 75 N -0.80 1.78 -0.19 2.82 -0.12 -1.26 -5.17 117.98 115.04 3dxj s PHE 75 Ca -0.09 -1.07 -0.33 0.00 -0.05 0.00 0.00 56.93 55.39 3dxj s PHE 75 Cb -0.05 -1.12 0.14 0.00 -0.63 0.00 0.00 43.02 41.36 3dxj s PHE 75 CO -0.00 -0.16 1.19 0.20 -0.05 0.00 0.00 175.22 176.40 3dxj s GLY 76 N -3.42 -0.23 0.20 1.99 0.00 -1.26 -5.01 107.32 99.58 3dxj s GLY 76 Ca 0.36 1.85 -0.05 0.00 0.00 0.00 0.00 44.72 46.88 3dxj s GLY 76 CO 0.15 0.69 1.58 -2.09 0.00 0.00 0.00 173.10 173.43 3dxj h GLU 77 N 2.08 0.76 -1.46 2.90 4.57 -2.04 -3.41 114.58 117.99 3dxj h GLU 77 Ca -0.11 -0.35 -0.11 0.00 -1.18 0.00 0.00 59.36 57.61 3dxj h GLU 77 Cb 1.17 -0.01 -0.26 0.00 -0.16 0.00 0.00 28.75 29.49 3dxj h GLU 77 CO 0.24 0.97 -0.48 1.21 -1.18 0.00 0.00 179.01 179.77 3dxj s ASN 78 N -6.80 -0.32 -0.21 1.04 2.47 -1.26 -5.03 114.94 104.84 3dxj s ASN 78 Ca -0.09 -0.18 -0.05 0.00 0.42 0.00 0.00 52.86 52.96 3dxj s ASN 78 Cb 0.12 1.43 -0.11 0.00 -1.45 0.00 0.00 41.25 41.25 3dxj s ASN 78 CO 0.84 -0.34 -0.23 0.18 -3.72 0.00 0.00 177.10 173.84 3dxj n LEU 79 N 5.38 2.14 -4.22 3.21 4.77 -1.26 -5.10 117.00 121.92 3dxj n LEU 79 Ca 0.02 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.94 3dxj n LEU 79 Cb 0.51 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 3dxj n LEU 79 CO -0.03 0.61 -0.08 0.68 -1.33 0.00 0.00 177.39 177.24 3dxj s VAL 80 N -2.39 0.00 -0.06 4.08 -7.23 -1.26 -5.14 120.40 108.40 3dxj s VAL 80 Ca -0.28 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 57.68 3dxj s VAL 80 Cb 0.09 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 3dxj s VAL 80 CO 0.41 0.00 1.17 -2.84 -0.31 0.00 0.00 175.10 173.53 3dxj s PRO 81 N -3.55 4.36 0.10 4.82 0.02 -1.26 -4.95 135.00 134.55 3dxj s PRO 81 Ca 0.38 1.64 0.04 0.00 0.02 0.00 0.00 61.00 63.08 3dxj s PRO 81 Cb 0.03 -3.55 0.34 0.00 0.02 0.00 0.00 34.50 31.34 3dxj s PRO 81 CO 0.22 -0.42 0.45 0.39 -0.33 0.00 0.00 177.00 177.31 3dxj n GLU 82 N 5.13 -0.02 -0.08 5.54 1.02 -1.26 -1.26 120.64 129.71 3dxj n GLU 82 Ca 0.11 0.40 -0.08 0.00 -0.02 0.00 0.00 57.16 57.57 3dxj n GLU 82 Cb 0.47 -0.70 -0.16 0.00 -0.02 0.00 0.00 31.44 31.03 3dxj n GLU 82 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dxj n ASP 83 N -3.79 0.14 -0.14 1.62 9.92 -1.26 -4.25 116.55 118.79 3dxj n ASP 83 Ca 0.10 0.07 0.22 0.00 -0.53 0.00 0.00 54.79 54.64 3dxj n ASP 83 Cb 0.33 0.92 0.63 0.00 -0.64 0.00 0.00 41.12 42.35 3dxj n ASP 83 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3dxj h ARG 84 N 0.00 0.15 0.00 -1.24 2.43 -1.59 0.15 114.38 114.29 3dxj h ARG 84 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3dxj h ARG 84 Cb 2.10 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 3dxj h ARG 84 CO 0.03 0.10 0.00 1.47 -1.51 0.00 0.00 179.97 180.07 3dxj n LEU 85 N -4.39 0.00 -0.35 3.80 -0.00 -1.23 -1.20 117.00 113.63 3dxj n LEU 85 Ca 0.15 0.42 0.02 0.00 -0.00 0.00 0.00 56.01 56.60 3dxj n LEU 85 Cb 0.72 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.22 3dxj n LEU 85 CO 0.35 0.00 0.58 0.00 -0.00 0.00 0.00 177.39 178.33 3dxj n GLN 86 N -0.54 -0.16 0.00 1.47 6.02 -1.06 -1.03 117.38 122.07 3dxj n GLN 86 Ca 0.00 1.46 0.00 0.00 -0.01 0.00 0.00 57.00 58.45 3dxj n GLN 86 Cb 0.00 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.08 3dxj n GLN 86 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3dxj n LYS 87 N -5.46 0.00 0.20 -1.09 4.81 0.02 -0.82 118.16 115.83 3dxj n LYS 87 Ca 0.12 0.39 0.04 0.00 -0.87 0.00 0.00 58.31 57.99 3dxj n LYS 87 Cb 0.42 -0.81 0.47 0.00 0.02 0.00 0.00 35.03 35.12 3dxj n LYS 87 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3dxj h GLU 88 N 0.00 0.03 -0.60 1.64 5.08 -0.86 -3.09 114.58 116.78 3dxj h GLU 88 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dxj h GLU 88 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3dxj h GLU 88 CO 0.00 0.24 0.30 1.98 -1.00 0.00 0.00 179.01 180.53 3dxj h MET 89 N 0.03 0.85 0.00 2.33 4.05 -0.73 -2.28 114.93 119.18 3dxj h MET 89 Ca 0.00 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 3dxj h MET 89 Cb 0.38 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3dxj h MET 89 CO 0.03 0.67 0.00 0.93 0.23 0.00 0.00 176.91 178.77 3dxj h GLU 90 N 0.81 0.00 0.03 0.39 5.08 -0.89 -1.46 114.58 118.54 3dxj h GLU 90 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dxj h GLU 90 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3dxj h GLU 90 CO -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.97 3dxj h ARG 91 N 0.00 -0.03 -0.44 2.33 3.08 -1.45 -1.94 114.38 115.92 3dxj h ARG 91 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3dxj h ARG 91 Cb 0.54 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 3dxj h ARG 91 CO 0.00 0.19 0.23 0.82 -1.07 0.00 0.00 179.97 180.15 3dxj h ILE 92 N -1.00 0.99 -3.18 2.04 2.04 -1.46 -3.33 117.51 113.61 3dxj h ILE 92 Ca -0.00 -0.16 -0.62 0.00 1.00 0.00 0.00 64.86 65.07 3dxj h ILE 92 Cb 0.24 0.48 -0.41 0.00 -0.74 0.00 0.00 36.82 36.40 3dxj h ILE 92 CO 0.01 0.09 -0.68 -0.31 0.00 0.00 0.00 178.15 177.25 3dxj s TYR 93 N -6.15 2.57 0.50 1.37 1.51 -0.55 -4.97 117.35 111.63 3dxj s TYR 93 Ca -0.13 -2.80 0.32 0.00 -1.01 0.00 0.00 57.07 53.46 3dxj s TYR 93 Cb 0.12 -2.34 1.44 0.00 -0.11 0.00 0.00 41.96 41.07 3dxj s TYR 93 CO 0.73 -0.76 1.77 -1.35 -1.11 0.00 0.00 175.55 174.83 3dxj h PRO 94 N 6.60 0.10 0.00 -1.71 0.11 -1.46 -3.37 132.00 132.27 3dxj h PRO 94 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3dxj h PRO 94 Cb 0.91 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3dxj h PRO 94 CO 0.58 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 3dxj n GLY 95 N -1.69 3.99 3.83 -0.55 0.00 -1.26 -4.94 105.19 104.57 3dxj n GLY 95 Ca 0.27 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3dxj n GLY 95 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11