#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcj s THR 2 N 0.00 4.81 -0.49 1.12 2.01 -1.26 -5.01 115.64 116.83 1dcj s THR 2 Ca 0.00 0.52 -0.27 0.00 0.31 0.00 0.00 61.69 62.24 1dcj s THR 2 Cb 0.00 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.75 1dcj s THR 2 CO 0.00 -0.69 1.05 -1.81 -0.69 0.00 0.00 174.62 172.48 1dcj s ASP 3 N -3.56 6.54 0.00 3.53 1.01 -1.26 -4.84 116.67 118.09 1dcj s ASP 3 Ca 0.50 0.25 0.24 0.00 0.71 0.00 0.00 52.55 54.25 1dcj s ASP 3 Cb -0.10 -2.51 0.22 0.00 1.01 0.00 0.00 42.92 41.54 1dcj s ASP 3 CO 0.38 -1.20 1.22 0.18 0.21 0.00 0.00 175.17 175.96 1dcj n LEU 4 N 7.63 1.59 -0.81 1.23 4.77 -1.26 -4.05 117.00 126.09 1dcj n LEU 4 Ca 0.09 -0.56 0.03 0.00 -0.03 0.00 0.00 56.01 55.54 1dcj n LEU 4 Cb 0.49 -0.05 0.13 0.00 -2.33 0.00 0.00 43.42 41.66 1dcj n LEU 4 CO 0.68 0.30 0.51 0.49 -1.33 0.00 0.00 177.39 178.05 1dcj n PHE 5 N -0.40 0.59 -0.72 -1.77 3.01 -1.26 -4.82 117.46 112.10 1dcj n PHE 5 Ca 0.09 -0.22 -0.23 0.00 1.01 0.00 0.00 57.45 58.10 1dcj n PHE 5 Cb 0.42 -0.16 0.09 0.00 -0.01 0.00 0.00 39.48 39.82 1dcj n PHE 5 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1dcj n SER 6 N 0.23 -2.68 -4.46 4.37 7.64 -1.26 -4.37 113.62 113.10 1dcj n SER 6 Ca 0.09 -0.16 -0.45 0.00 1.01 0.00 0.00 58.87 59.36 1dcj n SER 6 Cb 0.45 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.87 1dcj n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1dcj n SER 7 N 0.71 1.25 -4.80 6.43 7.64 -1.26 -4.87 113.62 118.72 1dcj n SER 7 Ca 0.02 0.18 -0.29 0.00 1.01 0.00 0.00 58.87 59.78 1dcj n SER 7 Cb 0.44 -1.14 0.11 0.00 -1.01 0.00 0.00 64.21 62.61 1dcj n SER 7 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1dcj s PRO 8 N 7.66 1.61 0.27 1.43 0.04 -1.26 -4.98 135.00 139.77 1dcj s PRO 8 Ca 1.19 0.45 0.18 0.00 0.04 0.00 0.00 61.00 62.86 1dcj s PRO 8 Cb -0.97 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 31.78 1dcj s PRO 8 CO 0.47 -1.91 1.32 -0.44 0.04 0.00 0.00 177.00 176.48 1dcj h ASP 9 N -1.29 0.00 -5.58 6.66 3.32 -1.73 -3.48 116.42 114.33 1dcj h ASP 9 Ca -0.49 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.30 1dcj h ASP 9 Cb 1.30 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.74 1dcj h ASP 9 CO 0.61 0.32 -0.38 -1.00 -1.72 0.00 0.00 179.24 177.08 1dcj s HIS 10 N -3.07 1.12 0.10 4.55 3.76 -0.56 -4.98 115.29 116.21 1dcj s HIS 10 Ca 0.03 -1.30 -0.07 0.00 -0.15 0.00 0.00 55.06 53.57 1dcj s HIS 10 Cb 0.07 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.43 1dcj s HIS 10 CO 0.74 -0.90 0.15 0.99 -0.85 0.00 0.00 174.74 174.88 1dcj s THR 11 N -3.65 0.14 -0.23 1.30 2.01 -1.26 -1.13 115.64 112.82 1dcj s THR 11 Ca 0.34 -1.39 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 1dcj s THR 11 Cb 0.02 -1.52 0.11 0.00 0.01 0.00 0.00 72.50 71.13 1dcj s THR 11 CO 0.17 -0.64 0.25 -0.22 -0.69 0.00 0.00 174.62 173.49 1dcj s LEU 12 N -2.91 -0.16 0.19 4.42 2.96 0.11 -4.87 118.68 118.43 1dcj s LEU 12 Ca 0.09 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 1dcj s LEU 12 Cb 0.05 0.45 -0.08 0.00 0.50 0.00 0.00 46.19 47.12 1dcj s LEU 12 CO -0.08 -0.34 1.12 -0.62 -1.32 0.00 0.00 176.35 175.11 1dcj s ASP 13 N 2.35 7.22 0.00 3.68 -1.08 -1.26 -0.92 116.67 126.66 1dcj s ASP 13 Ca 0.08 2.14 0.00 0.00 -0.52 0.00 0.00 52.55 54.25 1dcj s ASP 13 Cb -0.15 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 1dcj s ASP 13 CO -0.18 -0.25 0.83 0.00 0.52 0.00 0.00 175.17 176.09 1dcj n ALA 14 N 2.30 1.75 -2.55 3.66 0.00 0.65 -4.85 120.51 121.47 1dcj n ALA 14 Ca 0.03 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1dcj n ALA 14 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1dcj n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dcj s LEU 15 N 0.00 3.49 0.00 0.00 1.43 -1.25 -1.57 118.68 120.77 1dcj s LEU 15 Ca 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1dcj s LEU 15 Cb 0.00 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1dcj s LEU 15 CO 0.00 -1.46 0.00 0.61 0.23 0.00 0.00 176.35 175.73 1dcj n GLY 16 N 5.05 0.46 3.87 -3.19 0.00 -1.26 -4.83 105.19 105.28 1dcj n GLY 16 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1dcj n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dcj s LEU 17 N 0.00 4.25 0.01 0.99 1.43 -0.61 -4.97 118.68 119.77 1dcj s LEU 17 Ca 0.00 0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 53.95 1dcj s LEU 17 Cb 0.00 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1dcj s LEU 17 CO 0.00 0.03 0.08 0.00 0.23 0.00 0.00 176.35 176.69 1dcj s ARG 18 N -2.44 0.40 0.31 1.70 1.70 -1.26 -4.11 118.95 115.25 1dcj s ARG 18 Ca 0.42 -0.44 -0.26 0.00 -0.47 0.00 0.00 55.73 54.98 1dcj s ARG 18 Cb -0.13 0.16 -0.14 0.00 -0.57 0.00 0.00 34.95 34.28 1dcj s ARG 18 CO 0.21 -0.09 0.78 0.00 -1.08 0.00 0.00 175.30 175.12 1dcj n PRO 20 N 0.71 1.66 -0.17 0.00 -0.04 -1.26 -4.91 135.00 130.99 1dcj n PRO 20 Ca 0.12 -0.98 -0.02 0.00 -0.04 0.00 0.00 63.50 62.58 1dcj n PRO 20 Cb 0.33 -1.40 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1dcj n PRO 20 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1dcj h GLU 21 N 2.03 0.20 0.38 0.54 5.08 -0.76 0.62 114.58 122.67 1dcj h GLU 21 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1dcj h GLU 21 Cb 0.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dcj h GLU 21 CO 0.00 0.13 -0.18 -1.00 -1.00 0.00 0.00 179.01 176.96 1dcj h PRO 22 N 0.21 -0.49 -0.69 2.33 0.13 -1.87 -0.68 132.00 130.95 1dcj h PRO 22 Ca 0.27 0.03 0.20 0.00 -0.87 0.00 0.00 66.00 65.63 1dcj h PRO 22 Cb 0.38 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1dcj h PRO 22 CO -0.37 -0.32 0.77 0.28 -0.23 0.00 0.00 178.00 178.13 1dcj h VAL 23 N -0.90 0.21 -0.03 1.56 2.07 -1.86 0.62 116.25 117.93 1dcj h VAL 23 Ca -0.05 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 1dcj h VAL 23 Cb 0.39 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1dcj h VAL 23 CO 0.08 0.00 -0.78 0.24 0.02 0.00 0.00 177.57 177.13 1dcj h MET 24 N 0.00 0.58 -0.63 1.57 2.86 0.75 -2.72 114.93 117.33 1dcj h MET 24 Ca 0.33 -0.59 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1dcj h MET 24 Cb 1.87 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 33.65 1dcj h MET 24 CO -0.00 1.20 0.38 0.52 1.06 0.00 0.00 176.91 180.07 1dcj h MET 25 N 0.19 0.86 0.00 1.72 2.86 0.18 -0.03 114.93 120.71 1dcj h MET 25 Ca -0.09 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1dcj h MET 25 Cb 1.46 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 1dcj h MET 25 CO 0.16 0.62 -0.13 0.28 1.06 0.00 0.00 176.91 178.90 1dcj h VAL 26 N 0.86 0.85 0.64 -2.22 2.07 -1.45 -0.63 116.25 116.37 1dcj h VAL 26 Ca 0.23 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1dcj h VAL 26 Cb -0.01 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1dcj h VAL 26 CO -0.04 0.13 -0.31 0.03 0.02 0.00 0.00 177.57 177.40 1dcj h ARG 27 N 0.00 -0.83 -0.73 1.57 2.47 -0.69 0.72 114.38 116.89 1dcj h ARG 27 Ca -0.00 0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1dcj h ARG 27 Cb 0.28 0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 1dcj h ARG 27 CO 0.02 -0.53 0.48 0.87 0.56 0.00 0.00 179.97 181.37 1dcj h LYS 28 N -1.19 0.91 -0.16 0.04 1.57 -1.22 0.39 116.57 116.91 1dcj h LYS 28 Ca -0.09 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 1dcj h LYS 28 Cb 0.68 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1dcj h LYS 28 CO 0.14 0.60 -0.42 1.15 -0.57 0.00 0.00 179.45 180.36 1dcj h THR 29 N 0.94 1.31 -0.02 -0.16 2.02 -1.07 0.57 112.91 116.51 1dcj h THR 29 Ca 0.28 -1.58 -0.10 0.00 0.77 0.00 0.00 66.41 65.78 1dcj h THR 29 Cb -0.03 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1dcj h THR 29 CO -0.07 0.48 -0.47 0.58 0.37 0.00 0.00 175.52 176.41 1dcj h VAL 30 N 0.32 1.34 0.00 3.16 2.07 0.31 1.27 116.25 124.72 1dcj h VAL 30 Ca 0.03 -1.63 -0.18 0.00 0.82 0.00 0.00 66.70 65.73 1dcj h VAL 30 Cb 0.88 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1dcj h VAL 30 CO 0.07 0.47 -0.86 0.03 0.02 0.00 0.00 177.57 177.30 1dcj h ARG 31 N 0.03 0.00 -0.04 1.57 3.08 0.54 -3.08 114.38 116.49 1dcj h ARG 31 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1dcj h ARG 31 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1dcj h ARG 31 CO 0.06 0.86 0.00 0.27 -1.07 0.00 0.00 179.97 180.09 1dcj n ASN 32 N -3.52 2.99 -4.67 7.04 0.23 0.11 -4.94 115.26 112.50 1dcj n ASN 32 Ca -0.00 -1.99 -0.25 0.00 -0.53 0.00 0.00 54.58 51.80 1dcj n ASN 32 Cb 0.82 -0.01 0.10 0.00 -2.08 0.00 0.00 39.78 38.62 1dcj n ASN 32 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1dcj s MET 33 N -1.99 1.70 0.07 -3.83 -1.94 0.43 -5.03 119.30 108.72 1dcj s MET 33 Ca 0.28 -0.75 0.03 0.00 -1.71 0.00 0.00 55.69 53.54 1dcj s MET 33 Cb 0.20 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 1dcj s MET 33 CO 0.30 -1.49 -0.08 -0.65 -0.01 0.00 0.00 175.02 173.08 1dcj s GLN 34 N -5.26 0.69 -0.08 2.03 -0.21 -1.26 -4.95 119.66 110.61 1dcj s GLN 34 Ca 0.65 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 1dcj s GLN 34 Cb -0.07 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.54 1dcj s GLN 34 CO 0.45 0.05 1.51 -1.25 -2.12 0.00 0.00 175.29 173.93 1dcj s PRO 35 N -2.38 4.21 0.00 2.91 0.04 -1.25 -2.23 135.00 136.30 1dcj s PRO 35 Ca -0.01 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1dcj s PRO 35 Cb -0.05 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1dcj s PRO 35 CO -0.01 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1dcj n GLY 36 N 3.92 1.30 1.93 0.56 0.00 0.27 -4.92 105.19 108.24 1dcj n GLY 36 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1dcj n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dcj n GLU 37 N -1.34 1.32 -4.04 1.61 -0.58 -0.95 -4.97 120.64 111.70 1dcj n GLU 37 Ca 0.00 -1.94 -0.08 0.00 -0.42 0.00 0.00 57.16 54.73 1dcj n GLU 37 Cb 0.00 0.48 -0.10 0.00 -0.57 0.00 0.00 31.44 31.25 1dcj n GLU 37 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1dcj s THR 38 N -1.90 0.17 -0.13 2.62 -4.23 -1.26 -1.83 115.64 109.08 1dcj s THR 38 Ca 0.02 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1dcj s THR 38 Cb -0.00 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.90 1dcj s THR 38 CO 0.01 -0.78 0.20 -0.22 -0.54 0.00 0.00 174.62 173.29 1dcj s LEU 39 N -2.31 -0.14 0.16 4.79 2.96 -0.85 -1.49 118.68 121.79 1dcj s LEU 39 Ca -0.03 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.94 1dcj s LEU 39 Cb 0.01 0.41 -0.08 0.00 0.50 0.00 0.00 46.19 47.03 1dcj s LEU 39 CO -0.06 -0.27 0.67 -0.22 -1.32 0.00 0.00 176.35 175.16 1dcj s LEU 40 N 2.34 4.46 -0.03 -0.68 2.96 -0.29 -0.77 118.68 126.67 1dcj s LEU 40 Ca 0.03 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1dcj s LEU 40 Cb -0.13 -3.27 0.03 0.00 0.50 0.00 0.00 46.19 43.32 1dcj s LEU 40 CO -0.08 0.16 0.00 -0.63 -1.32 0.00 0.00 176.35 174.48 1dcj s ILE 41 N -1.30 0.17 0.25 6.68 1.01 -0.74 0.06 121.20 127.34 1dcj s ILE 41 Ca 0.36 0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1dcj s ILE 41 Cb -0.19 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1dcj s ILE 41 CO 0.22 0.14 0.19 -0.63 0.00 0.00 0.00 174.94 174.86 1dcj s ILE 42 N 1.02 4.43 -0.29 2.92 1.01 -0.09 -0.96 121.20 129.24 1dcj s ILE 42 Ca -0.10 -1.41 -0.14 0.00 0.00 0.00 0.00 60.65 59.00 1dcj s ILE 42 Cb -0.14 -3.40 0.11 0.00 0.01 0.00 0.00 42.46 39.05 1dcj s ILE 42 CO -0.02 -0.35 0.77 0.00 0.00 0.00 0.00 174.94 175.34 1dcj s ALA 43 N -2.14 -2.09 -0.09 9.38 0.00 -0.02 -0.25 121.76 126.55 1dcj s ALA 43 Ca 0.33 2.33 0.18 0.00 0.00 0.00 0.00 51.96 54.79 1dcj s ALA 43 Cb -0.08 -1.63 -0.26 0.00 0.00 0.00 0.00 23.12 21.15 1dcj s ALA 43 CO 0.25 -0.56 0.26 -0.40 0.00 0.00 0.00 175.76 175.31 1dcj n ASP 44 N 4.52 0.68 -4.77 0.00 5.68 -1.02 -0.25 116.55 121.39 1dcj n ASP 44 Ca -0.17 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.72 1dcj n ASP 44 Cb 0.56 1.46 0.01 0.00 -1.14 0.00 0.00 41.12 42.01 1dcj n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1dcj s ASP 45 N -4.60 5.99 0.41 -1.12 2.15 -1.23 -4.87 116.67 113.41 1dcj s ASP 45 Ca -0.08 2.97 0.25 0.00 0.43 0.00 0.00 52.55 56.13 1dcj s ASP 45 Cb 0.09 -2.66 0.62 0.00 -0.30 0.00 0.00 42.92 40.68 1dcj s ASP 45 CO 0.76 -1.10 1.71 1.55 -0.17 0.00 0.00 175.17 177.91 1dcj h PRO 46 N 2.50 0.00 -0.01 4.34 0.13 -1.91 -3.07 132.00 133.99 1dcj h PRO 46 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1dcj h PRO 46 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1dcj h PRO 46 CO 0.62 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.25 1dcj n ALA 47 N -2.03 2.84 0.04 -0.56 0.00 -1.26 -3.98 120.51 115.56 1dcj n ALA 47 Ca 0.04 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1dcj n ALA 47 Cb 0.46 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 1dcj n ALA 47 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1dcj h THR 48 N 1.60 0.82 -0.40 0.00 1.35 -1.86 -0.94 112.91 113.49 1dcj h THR 48 Ca 0.00 -2.46 0.08 0.00 -0.55 0.00 0.00 66.41 63.48 1dcj h THR 48 Cb 0.48 2.65 -0.02 0.00 -1.73 0.00 0.00 68.15 69.54 1dcj h THR 48 CO 0.00 0.87 0.27 0.71 -0.25 0.00 0.00 175.52 177.12 1dcj h THR 49 N 0.09 0.89 0.03 6.82 1.35 -1.70 0.58 112.91 120.97 1dcj h THR 49 Ca -0.37 -0.06 -0.37 0.00 -0.55 0.00 0.00 66.41 65.05 1dcj h THR 49 Cb 2.07 0.69 -0.05 0.00 -1.73 0.00 0.00 68.15 69.13 1dcj h THR 49 CO 0.14 0.03 -2.28 0.54 -0.25 0.00 0.00 175.52 173.71 1dcj n ARG 50 N -4.46 0.68 -0.03 4.72 1.74 -1.25 -4.43 116.66 113.63 1dcj n ARG 50 Ca 0.06 0.17 -0.21 0.00 -0.77 0.00 0.00 57.85 57.09 1dcj n ARG 50 Cb 0.34 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.06 1dcj n ARG 50 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1dcj h ASP 51 N 0.02 0.25 -0.15 0.55 5.19 -0.95 -2.75 116.42 118.59 1dcj h ASP 51 Ca -0.51 -0.77 0.04 0.00 -0.62 0.00 0.00 57.03 55.17 1dcj h ASP 51 Cb 2.00 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 41.38 1dcj h ASP 51 CO -0.01 1.62 -0.15 0.40 -3.12 0.00 0.00 179.24 177.98 1dcj h ILE 52 N -0.46 0.59 -0.01 0.35 2.04 -1.04 0.85 117.51 119.83 1dcj h ILE 52 Ca -0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1dcj h ILE 52 Cb 1.66 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1dcj h ILE 52 CO -0.02 0.00 -0.04 1.55 0.00 0.00 0.00 178.15 179.64 1dcj h PRO 53 N -0.18 0.05 -0.51 2.37 0.13 -1.76 -2.41 132.00 129.69 1dcj h PRO 53 Ca 0.10 -0.04 0.15 0.00 -0.87 0.00 0.00 66.00 65.34 1dcj h PRO 53 Cb 0.32 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1dcj h PRO 53 CO -0.25 0.67 0.62 0.78 -0.23 0.00 0.00 178.00 179.59 1dcj h GLY 54 N -0.56 0.00 0.13 1.56 0.00 -1.31 0.21 103.07 103.10 1dcj h GLY 54 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dcj h GLY 54 CO 0.01 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 1dcj h PHE 55 N 0.00 -0.04 -0.89 5.60 3.57 -0.48 -2.98 116.94 121.72 1dcj h PHE 55 Ca 0.24 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.88 1dcj h PHE 55 Cb 1.48 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 1dcj h PHE 55 CO 0.00 0.65 0.57 0.00 -2.23 0.00 0.00 178.31 177.30 1dcj h THR 57 N 0.73 1.25 0.00 0.00 2.02 -1.26 0.16 112.91 115.81 1dcj h THR 57 Ca 0.44 -1.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1dcj h THR 57 Cb 0.67 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1dcj h THR 57 CO -0.20 0.36 -0.58 0.15 0.37 0.00 0.00 175.52 175.62 1dcj h PHE 58 N 0.28 0.00 -0.41 3.16 3.04 -0.66 -3.14 116.94 119.20 1dcj h PHE 58 Ca 0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1dcj h PHE 58 Cb 0.60 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1dcj h PHE 58 CO 0.01 0.58 0.00 -1.33 -2.02 0.00 0.00 178.31 175.55 1dcj n MET 59 N -3.61 2.09 -1.33 1.11 2.81 -0.88 -4.90 117.12 112.41 1dcj n MET 59 Ca -0.00 -1.68 0.00 0.00 -1.81 0.00 0.00 57.70 54.21 1dcj n MET 59 Cb 0.63 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 1dcj n MET 59 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1dcj n GLU 60 N 0.87 0.00 -2.86 0.03 2.13 -1.16 -4.84 120.64 114.81 1dcj n GLU 60 Ca 0.17 0.18 -0.20 0.00 0.66 0.00 0.00 57.16 57.96 1dcj n GLU 60 Cb 0.42 -3.12 0.05 0.00 0.27 0.00 0.00 31.44 29.05 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1dcj s HIS 61 N -2.00 2.20 -0.03 4.31 3.76 0.02 -2.24 115.29 121.32 1dcj s HIS 61 Ca 0.00 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.59 1dcj s HIS 61 Cb 0.00 -2.53 -0.01 0.00 1.11 0.00 0.00 32.58 31.15 1dcj s HIS 61 CO 0.00 -0.96 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.50 1dcj s GLU 62 N -4.68 1.92 -0.67 1.40 2.02 -0.72 -4.44 118.70 113.53 1dcj s GLU 62 Ca 0.59 -0.78 -0.25 0.00 0.02 0.00 0.00 54.97 54.56 1dcj s GLU 62 Cb -0.08 -1.77 0.05 0.00 0.10 0.00 0.00 34.13 32.42 1dcj s GLU 62 CO 0.38 0.42 1.11 -1.17 0.02 0.00 0.00 175.26 176.02 1dcj s LEU 63 N -0.36 3.77 -0.00 1.80 2.96 -1.26 0.54 118.68 126.13 1dcj s LEU 63 Ca 0.04 -0.59 -0.23 0.00 -0.22 0.00 0.00 54.13 53.13 1dcj s LEU 63 Cb -0.10 -2.60 -0.18 0.00 0.50 0.00 0.00 46.19 43.81 1dcj s LEU 63 CO 0.00 -1.58 1.26 0.58 -1.32 0.00 0.00 176.35 175.30 1dcj h VAL 64 N 6.02 1.40 -2.83 1.68 2.07 -0.62 -3.46 116.25 120.51 1dcj h VAL 64 Ca -0.28 -1.35 -0.15 0.00 0.82 0.00 0.00 66.70 65.74 1dcj h VAL 64 Cb 1.06 2.15 -0.28 0.00 -1.52 0.00 0.00 31.29 32.70 1dcj h VAL 64 CO 1.21 0.37 -0.39 0.00 0.02 0.00 0.00 177.57 178.78 1dcj s ALA 65 N -4.08 -0.81 0.26 1.67 0.00 -1.17 -4.89 121.76 112.74 1dcj s ALA 65 Ca -0.15 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.12 1dcj s ALA 65 Cb 0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1dcj s ALA 65 CO 0.72 -0.23 0.40 0.15 0.00 0.00 0.00 175.76 176.80 1dcj s LYS 66 N 1.33 3.45 -0.16 0.00 3.01 -1.26 0.84 119.74 126.96 1dcj s LYS 66 Ca -0.09 -0.65 -0.04 0.00 -1.01 0.00 0.00 55.97 54.18 1dcj s LYS 66 Cb -0.09 -2.84 0.05 0.00 -1.01 0.00 0.00 37.83 33.94 1dcj s LYS 66 CO -0.11 0.36 0.06 -1.21 0.51 0.00 0.00 175.35 174.97 1dcj s GLU 67 N -4.03 0.25 -0.10 1.68 0.41 0.54 -4.88 118.70 112.57 1dcj s GLU 67 Ca 0.35 -0.11 0.23 0.00 -0.41 0.00 0.00 54.97 55.03 1dcj s GLU 67 Cb -0.09 -1.71 0.45 0.00 -1.78 0.00 0.00 34.13 31.00 1dcj s GLU 67 CO 0.31 -0.60 1.16 0.25 -0.49 0.00 0.00 175.26 175.89 1dcj n THR 68 N 5.21 0.68 1.86 3.63 -2.24 -1.26 -1.57 114.28 120.58 1dcj n THR 68 Ca -0.07 -1.86 0.07 0.00 -2.27 0.00 0.00 64.05 59.92 1dcj n THR 68 Cb 0.49 0.82 0.44 0.00 -2.10 0.00 0.00 70.33 69.97 1dcj n THR 68 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dcj n ASP 69 N -0.00 0.00 0.00 3.42 8.00 -1.26 -4.84 116.55 121.86 1dcj n ASP 69 Ca 0.10 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1dcj n ASP 69 Cb 1.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1dcj n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dcj n GLY 70 N 0.65 3.88 2.50 0.44 0.00 -1.26 -5.09 105.19 106.30 1dcj n GLY 70 Ca 0.11 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1dcj n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dcj n LEU 71 N 0.00 -2.21 -4.82 0.99 4.77 -1.26 -4.47 117.00 110.00 1dcj n LEU 71 Ca 0.00 0.61 -0.34 0.00 -0.03 0.00 0.00 56.01 56.25 1dcj n LEU 71 Cb 0.00 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1dcj n LEU 71 CO 0.00 -3.21 0.58 -2.16 -1.33 0.00 0.00 177.39 171.28 1dcj s PRO 72 N -0.76 4.24 0.87 3.23 0.04 -1.26 -5.12 135.00 136.23 1dcj s PRO 72 Ca 0.45 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 1dcj s PRO 72 Cb -0.48 -2.38 0.11 0.00 0.04 0.00 0.00 34.50 31.79 1dcj s PRO 72 CO 0.48 0.09 1.09 0.71 0.04 0.00 0.00 177.00 179.41 1dcj s TYR 73 N -2.00 2.48 0.01 0.56 2.02 0.66 -4.74 117.35 116.34 1dcj s TYR 73 Ca 0.57 1.21 -0.12 0.00 -0.37 0.00 0.00 57.07 58.36 1dcj s TYR 73 Cb -0.11 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1dcj s TYR 73 CO 0.16 -2.20 0.26 1.03 -1.57 0.00 0.00 175.55 173.23 1dcj s ARG 74 N -5.01 0.67 -0.20 -0.62 0.52 -0.61 -0.84 118.95 112.85 1dcj s ARG 74 Ca 0.63 -0.37 -0.10 0.00 -0.52 0.00 0.00 55.73 55.37 1dcj s ARG 74 Cb -0.17 0.29 0.08 0.00 0.52 0.00 0.00 34.95 35.67 1dcj s ARG 74 CO 0.56 -0.19 0.47 0.71 0.02 0.00 0.00 175.30 176.87 1dcj s TYR 75 N -1.80 -0.77 0.32 -0.53 2.02 -0.14 0.20 117.35 116.65 1dcj s TYR 75 Ca -0.11 1.54 -0.09 0.00 -0.37 0.00 0.00 57.07 58.04 1dcj s TYR 75 Cb -0.04 0.36 -0.07 0.00 -0.40 0.00 0.00 41.96 41.82 1dcj s TYR 75 CO 0.01 -0.43 0.65 -1.17 -1.57 0.00 0.00 175.55 173.04 1dcj s LEU 76 N 1.88 4.01 -0.22 -1.29 2.96 0.25 -1.79 118.68 124.48 1dcj s LEU 76 Ca -0.07 0.99 -0.04 0.00 -0.22 0.00 0.00 54.13 54.80 1dcj s LEU 76 Cb -0.09 -3.82 0.09 0.00 0.50 0.00 0.00 46.19 42.88 1dcj s LEU 76 CO -0.14 -0.24 0.20 -0.63 -1.32 0.00 0.00 176.35 174.22 1dcj s ILE 77 N -2.10 -0.26 -0.33 6.68 1.01 0.05 0.14 121.20 126.38 1dcj s ILE 77 Ca 0.49 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 1dcj s ILE 77 Cb -0.11 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1dcj s ILE 77 CO 0.26 -0.33 1.54 -0.60 0.00 0.00 0.00 174.94 175.81 1dcj s ARG 78 N 2.27 3.61 0.24 2.79 3.52 0.19 -2.01 118.95 129.55 1dcj s ARG 78 Ca 0.07 1.26 -0.31 0.00 -0.13 0.00 0.00 55.73 56.61 1dcj s ARG 78 Cb -0.16 -4.05 -0.12 0.00 -1.56 0.00 0.00 34.95 29.06 1dcj s ARG 78 CO -0.18 -1.52 1.63 1.17 -0.81 0.00 0.00 175.30 175.59 1dcj n LYS 79 N 7.97 2.61 -2.43 5.12 3.00 -0.76 -1.76 118.16 131.92 1dcj n LYS 79 Ca 0.18 0.93 0.01 0.00 -0.00 0.00 0.00 58.31 59.44 1dcj n LYS 79 Cb 0.47 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 32.77 1dcj n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dcj n GLY 80 N 2.98 0.45 0.00 3.14 0.00 -1.26 -0.57 105.19 109.93 1dcj n GLY 80 Ca 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93