#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 5.03 -0.50 1.12 -4.23 -1.26 -5.06 115.64 110.74 1dcj s THR 2 Ca 0.00 -0.52 -0.06 0.00 -1.18 0.00 0.00 61.69 59.93 1dcj s THR 2 Cb 0.00 -3.83 0.13 0.00 1.34 0.00 0.00 72.50 70.14 1dcj s THR 2 CO 0.00 -0.52 0.34 -0.62 -0.54 0.00 0.00 174.62 173.28 1dcj s ASP 3 N -4.05 5.52 0.25 3.99 2.15 -1.26 -4.90 116.67 118.37 1dcj s ASP 3 Ca 0.40 -2.19 0.14 0.00 0.43 0.00 0.00 52.55 51.33 1dcj s ASP 3 Cb -0.10 -1.93 0.02 0.00 -0.30 0.00 0.00 42.92 40.61 1dcj s ASP 3 CO 0.35 -0.57 1.40 -0.07 -0.17 0.00 0.00 175.17 176.11 1dcj h LEU 4 N 7.99 0.00 -1.51 -1.34 3.38 -1.97 -3.11 115.31 118.76 1dcj h LEU 4 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1dcj h LEU 4 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1dcj h LEU 4 CO 0.77 0.58 0.00 0.49 0.09 0.00 0.00 178.44 180.37 1dcj n PHE 5 N -3.23 0.56 -0.73 1.13 3.01 -1.26 -4.83 117.46 112.11 1dcj n PHE 5 Ca 0.01 -0.21 -0.23 0.00 1.01 0.00 0.00 57.45 58.03 1dcj n PHE 5 Cb 0.77 -0.15 0.09 0.00 -0.01 0.00 0.00 39.48 40.18 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 0.22 -2.68 -4.46 4.37 7.64 -1.18 -4.38 113.62 113.15 1dcj n SER 6 Ca 0.09 -0.15 -0.45 0.00 1.01 0.00 0.00 58.87 59.37 1dcj n SER 6 Cb 0.44 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.76 1.23 -4.79 6.43 7.64 -1.26 -4.87 113.62 118.76 1dcj n SER 7 Ca 0.01 0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.76 1dcj n SER 7 Cb 0.45 -1.14 0.13 0.00 -1.01 0.00 0.00 64.21 62.64 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 7.75 1.24 0.35 1.43 0.04 -1.26 -4.97 135.00 139.58 1dcj s PRO 8 Ca 1.19 0.26 0.19 0.00 0.04 0.00 0.00 61.00 62.68 1dcj s PRO 8 Cb -0.96 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 31.92 1dcj s PRO 8 CO 0.46 -2.13 1.52 -0.44 0.04 0.00 0.00 177.00 176.46 1dcj h ASP 9 N -1.45 0.00 -5.48 6.66 3.32 -1.60 -3.47 116.42 114.40 1dcj h ASP 9 Ca -0.50 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.33 1dcj h ASP 9 Cb 1.33 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.78 1dcj h ASP 9 CO 0.62 0.26 -0.26 -1.00 -1.72 0.00 0.00 179.24 177.14 1dcj s HIS 10 N -3.08 0.93 0.08 4.55 3.76 -0.43 -4.97 115.29 116.13 1dcj s HIS 10 Ca 0.05 -1.17 -0.06 0.00 -0.15 0.00 0.00 55.06 53.73 1dcj s HIS 10 Cb 0.06 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.61 1dcj s HIS 10 CO 0.71 -1.00 0.13 0.99 -0.85 0.00 0.00 174.74 174.73 1dcj s THR 11 N -3.53 0.16 -0.22 1.30 2.01 -1.26 -1.14 115.64 112.96 1dcj s THR 11 Ca 0.30 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.90 1dcj s THR 11 Cb 0.01 -1.42 0.10 0.00 0.01 0.00 0.00 72.50 71.20 1dcj s THR 11 CO 0.16 -0.73 0.23 -0.22 -0.69 0.00 0.00 174.62 173.37 1dcj s LEU 12 N -2.88 -0.09 0.25 4.42 2.96 0.87 -4.87 118.68 119.33 1dcj s LEU 12 Ca 0.06 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.33 1dcj s LEU 12 Cb 0.06 0.36 -0.09 0.00 0.50 0.00 0.00 46.19 47.02 1dcj s LEU 12 CO -0.10 -0.34 1.05 -0.62 -1.32 0.00 0.00 176.35 175.02 1dcj s ASP 13 N 2.32 7.38 0.00 3.68 2.15 -1.26 -0.83 116.67 130.10 1dcj s ASP 13 Ca 0.07 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.19 1dcj s ASP 13 Cb -0.16 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1dcj s ASP 13 CO -0.16 -0.07 0.82 0.00 -0.17 0.00 0.00 175.17 175.59 1dcj n ALA 14 N 1.50 1.84 -2.59 3.66 0.00 0.66 -4.83 120.51 120.76 1dcj n ALA 14 Ca -0.01 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 1dcj n ALA 14 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.62 118.68 120.73 1dcj s LEU 15 Ca 0.00 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1dcj s LEU 15 Cb 0.00 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1dcj s LEU 15 CO 0.00 -1.44 0.00 0.61 0.23 0.00 0.00 176.35 175.75 1dcj n GLY 16 N 5.02 0.34 3.86 -3.19 0.00 -1.26 -4.83 105.19 105.13 1dcj n GLY 16 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 4.23 -0.00 0.99 1.43 -0.64 -4.97 118.68 119.71 1dcj s LEU 17 Ca 0.00 1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 1dcj s LEU 17 Cb 0.00 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.68 1dcj s LEU 17 CO 0.00 -0.01 0.08 0.00 0.23 0.00 0.00 176.35 176.65 1dcj s ARG 18 N -2.48 0.36 0.31 1.70 1.70 -1.26 -4.12 118.95 115.15 1dcj s ARG 18 Ca 0.44 -0.35 -0.26 0.00 -0.47 0.00 0.00 55.73 55.08 1dcj s ARG 18 Cb -0.13 0.14 -0.14 0.00 -0.57 0.00 0.00 34.95 34.26 1dcj s ARG 18 CO 0.20 -0.08 0.80 0.00 -1.08 0.00 0.00 175.30 175.15 1dcj n PRO 20 N 0.71 1.66 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.98 1dcj n PRO 20 Ca 0.12 -0.98 -0.01 0.00 -0.04 0.00 0.00 63.50 62.59 1dcj n PRO 20 Cb 0.33 -1.41 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.07 0.16 0.45 0.54 5.08 -0.74 0.50 114.58 122.64 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 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1dcj h GLU 21 CO 0.00 0.11 -0.22 -1.00 -1.00 0.00 0.00 179.01 176.90 1dcj h PRO 22 N 0.17 -0.59 -0.76 2.33 0.13 -1.87 -1.01 132.00 130.41 1dcj h PRO 22 Ca 0.28 0.04 0.22 0.00 -0.87 0.00 0.00 66.00 65.67 1dcj h PRO 22 Cb 0.43 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1dcj h PRO 22 CO -0.42 -0.39 0.81 0.28 -0.23 0.00 0.00 178.00 178.05 1dcj h VAL 23 N -1.02 0.21 -0.04 1.56 2.07 -1.85 0.65 116.25 117.83 1dcj h VAL 23 Ca -0.06 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 1dcj h VAL 23 Cb 0.47 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1dcj h VAL 23 CO 0.10 0.00 -0.70 0.24 0.02 0.00 0.00 177.57 177.23 1dcj h MET 24 N 0.00 0.54 -0.65 1.57 2.86 0.56 -2.80 114.93 117.02 1dcj h MET 24 Ca 0.36 -0.53 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1dcj h MET 24 Cb 1.98 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 33.74 1dcj h MET 24 CO -0.00 1.16 0.41 0.52 1.06 0.00 0.00 176.91 180.05 1dcj h MET 25 N 0.12 0.78 0.00 1.72 2.86 0.16 0.32 114.93 120.89 1dcj h MET 25 Ca -0.08 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1dcj h MET 25 Cb 1.38 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1dcj h MET 25 CO 0.14 0.52 -0.17 0.28 1.06 0.00 0.00 176.91 178.74 1dcj h VAL 26 N 0.81 1.03 0.29 -2.22 2.07 -1.47 -1.16 116.25 115.60 1dcj h VAL 26 Ca 0.26 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1dcj h VAL 26 Cb -0.00 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1dcj h VAL 26 CO -0.09 0.17 -0.14 0.03 0.02 0.00 0.00 177.57 177.55 1dcj h ARG 27 N 0.00 -0.38 -0.54 1.57 2.47 -0.68 0.72 114.38 117.55 1dcj h ARG 27 Ca -0.00 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1dcj h ARG 27 Cb 0.32 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 1dcj h ARG 27 CO 0.02 -0.08 0.35 0.87 0.56 0.00 0.00 179.97 181.70 1dcj h LYS 28 N -0.69 0.70 -0.56 0.04 1.57 -1.16 0.51 116.57 116.98 1dcj h LYS 28 Ca -0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1dcj h LYS 28 Cb 0.48 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1dcj h LYS 28 CO 0.07 0.46 0.30 1.15 -0.57 0.00 0.00 179.45 180.86 1dcj h THR 29 N 0.72 1.17 0.00 -0.16 2.02 -1.15 0.28 112.91 115.80 1dcj h THR 29 Ca 0.20 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 1dcj h THR 29 Cb -0.07 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1dcj h THR 29 CO -0.05 0.19 -0.38 0.58 0.37 0.00 0.00 175.52 176.23 1dcj h VAL 30 N 0.77 1.07 -0.00 3.16 2.07 0.27 1.09 116.25 124.68 1dcj h VAL 30 Ca 0.20 -1.40 -0.17 0.00 0.82 0.00 0.00 66.70 66.15 1dcj h VAL 30 Cb 0.03 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1dcj h VAL 30 CO -0.03 0.37 -0.79 0.03 0.02 0.00 0.00 177.57 177.17 1dcj h ARG 31 N 0.00 0.04 -0.18 1.57 3.08 0.33 -3.10 114.38 116.13 1dcj h ARG 31 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1dcj h ARG 31 Cb 0.77 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1dcj h ARG 31 CO 0.05 0.81 0.00 0.27 -1.07 0.00 0.00 179.97 180.03 1dcj n ASN 32 N -3.63 2.87 -4.85 7.04 6.94 0.12 -4.97 115.26 118.79 1dcj n ASN 32 Ca -0.01 -1.86 -0.24 0.00 -0.02 0.00 0.00 54.58 52.46 1dcj n ASN 32 Cb 0.76 -0.11 0.07 0.00 -2.36 0.00 0.00 39.78 38.14 1dcj n ASN 32 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1dcj s MET 33 N -1.45 2.14 0.07 -3.83 -1.94 0.37 -5.04 119.30 109.63 1dcj s MET 33 Ca 0.27 -0.66 0.03 0.00 -1.71 0.00 0.00 55.69 53.62 1dcj s MET 33 Cb 0.17 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.67 1dcj s MET 33 CO 0.25 -1.14 -0.08 -0.65 -0.01 0.00 0.00 175.02 173.39 1dcj s GLN 34 N -5.06 0.70 -0.13 2.03 -1.52 -1.26 -4.95 119.66 109.46 1dcj s GLN 34 Ca 0.61 -1.01 -0.29 0.00 -1.95 0.00 0.00 55.36 52.71 1dcj s GLN 34 Cb -0.09 -0.35 -0.04 0.00 -0.22 0.00 0.00 33.01 32.31 1dcj s GLN 34 CO 0.42 0.05 1.62 -1.25 -0.25 0.00 0.00 175.29 175.88 1dcj s PRO 35 N -2.47 4.00 0.00 2.91 0.04 -1.25 -1.97 135.00 136.27 1dcj s PRO 35 Ca -0.00 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1dcj s PRO 35 Cb -0.04 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1dcj s PRO 35 CO -0.01 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1dcj n GLY 36 N 4.34 1.41 2.64 0.56 0.00 0.25 -4.92 105.19 109.48 1dcj n GLY 36 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.00 1.06 -4.02 1.61 -0.58 -0.83 -4.97 120.64 111.91 1dcj n GLU 37 Ca 0.00 -2.61 -0.08 0.00 -0.42 0.00 0.00 57.16 54.05 1dcj n GLU 37 Cb 0.00 0.59 -0.11 0.00 -0.57 0.00 0.00 31.44 31.35 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 -2.22 0.15 -0.09 2.62 -4.23 -1.26 -1.84 115.64 108.77 1dcj s THR 38 Ca 0.06 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1dcj s THR 38 Cb -0.00 -0.69 0.05 0.00 1.34 0.00 0.00 72.50 73.19 1dcj s THR 38 CO 0.04 -0.67 0.11 -0.22 -0.54 0.00 0.00 174.62 173.34 1dcj s LEU 39 N -1.96 0.09 0.21 4.79 2.96 -0.96 -1.31 118.68 122.49 1dcj s LEU 39 Ca -0.08 0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 1dcj s LEU 39 Cb -0.04 0.02 -0.08 0.00 0.50 0.00 0.00 46.19 46.59 1dcj s LEU 39 CO -0.04 -0.27 0.66 -0.22 -1.32 0.00 0.00 176.35 175.16 1dcj s LEU 40 N 2.22 4.31 0.01 -0.68 2.96 -0.29 -1.09 118.68 126.12 1dcj s LEU 40 Ca 0.04 1.28 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1dcj s LEU 40 Cb -0.13 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1dcj s LEU 40 CO -0.06 0.03 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.34 1dcj s ILE 41 N -1.56 0.19 0.25 6.68 1.01 -0.84 -0.09 121.20 126.84 1dcj s ILE 41 Ca 0.42 -0.46 0.12 0.00 0.00 0.00 0.00 60.65 60.73 1dcj s ILE 41 Cb -0.15 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 1dcj s ILE 41 CO 0.20 -0.18 -0.20 -0.63 0.00 0.00 0.00 174.94 174.13 1dcj s ILE 42 N -0.64 2.48 -0.29 2.92 1.01 -0.01 -1.08 121.20 125.59 1dcj s ILE 42 Ca -0.06 -2.27 -0.15 0.00 0.00 0.00 0.00 60.65 58.17 1dcj s ILE 42 Cb -0.05 -2.27 0.11 0.00 0.01 0.00 0.00 42.46 40.27 1dcj s ILE 42 CO -0.00 -0.31 0.78 0.00 0.00 0.00 0.00 174.94 175.40 1dcj s ALA 43 N -2.25 -2.09 -0.08 9.38 0.00 0.11 -0.24 121.76 126.59 1dcj s ALA 43 Ca 0.27 2.32 0.17 0.00 0.00 0.00 0.00 51.96 54.73 1dcj s ALA 43 Cb -0.06 -1.63 -0.26 0.00 0.00 0.00 0.00 23.12 21.17 1dcj s ALA 43 CO 0.14 -0.55 0.27 -0.40 0.00 0.00 0.00 175.76 175.22 1dcj n ASP 44 N 4.48 0.82 -4.77 0.00 5.68 -1.03 -0.32 116.55 121.41 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 1.48 0.02 0.00 -1.14 0.00 0.00 41.12 42.04 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 -4.49 5.85 0.42 -1.12 2.15 -1.23 -4.87 116.67 113.38 1dcj s ASP 45 Ca -0.07 2.95 0.25 0.00 0.43 0.00 0.00 52.55 56.11 1dcj s ASP 45 Cb 0.09 -2.66 0.63 0.00 -0.30 0.00 0.00 42.92 40.68 1dcj s ASP 45 CO 0.74 -1.20 1.71 1.55 -0.17 0.00 0.00 175.17 177.80 1dcj h PRO 46 N 2.31 0.00 -0.01 4.34 0.13 -1.91 -3.07 132.00 133.80 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1dcj h PRO 46 CO 0.61 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -2.04 2.80 0.04 -0.56 0.00 -1.26 -4.06 120.51 115.42 1dcj n ALA 47 Ca 0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1dcj n ALA 47 Cb 0.46 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 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 1.88 0.95 -0.41 0.00 1.35 -1.86 -0.79 112.91 114.04 1dcj h THR 48 Ca 0.00 -2.44 0.11 0.00 -0.55 0.00 0.00 66.41 63.53 1dcj h THR 48 Cb 0.51 2.72 -0.02 0.00 -1.73 0.00 0.00 68.15 69.63 1dcj h THR 48 CO 0.00 0.79 0.29 0.71 -0.25 0.00 0.00 175.52 177.06 1dcj h THR 49 N -0.09 0.81 0.03 6.82 1.35 -1.71 0.57 112.91 120.69 1dcj h THR 49 Ca -0.33 -0.01 -0.37 0.00 -0.55 0.00 0.00 66.41 65.14 1dcj h THR 49 Cb 1.94 0.77 -0.06 0.00 -1.73 0.00 0.00 68.15 69.07 1dcj h THR 49 CO 0.11 0.01 -2.29 0.54 -0.25 0.00 0.00 175.52 173.64 1dcj n ARG 50 N -4.42 0.68 -0.05 4.72 1.74 -1.24 -4.44 116.66 113.65 1dcj n ARG 50 Ca 0.07 0.15 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 1dcj n ARG 50 Cb 0.47 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.22 -0.16 0.55 3.32 -0.83 -2.75 116.42 116.78 1dcj h ASP 51 Ca -0.51 -0.73 0.04 0.00 0.02 0.00 0.00 57.03 55.85 1dcj h ASP 51 Cb 2.01 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 41.45 1dcj h ASP 51 CO -0.01 1.65 -0.12 0.40 -1.72 0.00 0.00 179.24 179.44 1dcj h ILE 52 N -0.49 0.65 -0.00 0.35 2.04 -1.04 0.11 117.51 119.13 1dcj h ILE 52 Ca -0.37 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1dcj h ILE 52 Cb 1.65 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1dcj h ILE 52 CO -0.06 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 179.64 1dcj h PRO 53 N -0.12 0.01 -0.50 2.37 0.13 -1.76 -2.39 132.00 129.74 1dcj h PRO 53 Ca 0.10 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.37 1dcj h PRO 53 Cb 0.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1dcj h PRO 53 CO -0.24 0.66 0.63 0.78 -0.23 0.00 0.00 178.00 179.60 1dcj h GLY 54 N -0.65 0.00 0.14 1.56 0.00 -1.32 0.27 103.07 103.06 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 0.00 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 -0.99 5.60 3.57 -0.43 -2.91 116.94 121.75 1dcj h PHE 55 Ca 0.24 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.87 1dcj h PHE 55 Cb 1.50 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 40.16 1dcj h PHE 55 CO 0.00 0.66 0.61 0.00 -2.23 0.00 0.00 178.31 177.35 1dcj h THR 57 N 0.92 1.15 -0.08 0.00 2.02 -1.24 -0.71 112.91 114.97 1dcj h THR 57 Ca 0.50 -0.56 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1dcj h THR 57 Cb 0.56 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1dcj h THR 57 CO -0.29 0.19 -0.49 0.15 0.37 0.00 0.00 175.52 175.46 1dcj h PHE 58 N 0.38 0.26 -0.24 3.16 3.04 -0.29 -2.95 116.94 120.30 1dcj h PHE 58 Ca 0.09 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1dcj h PHE 58 Cb 0.22 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1dcj h PHE 58 CO 0.01 0.66 0.00 -1.33 -2.02 0.00 0.00 178.31 175.63 1dcj n MET 59 N -3.96 1.80 -1.69 1.11 2.81 -0.85 -4.90 117.12 111.43 1dcj n MET 59 Ca -0.02 -1.21 0.00 0.00 -1.81 0.00 0.00 57.70 54.66 1dcj n MET 59 Cb 0.53 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 0.44 0.00 -2.78 0.03 4.07 -1.09 -4.85 120.64 116.47 1dcj n GLU 60 Ca 0.15 0.09 -0.21 0.00 -0.06 0.00 0.00 57.16 57.13 1dcj n GLU 60 Cb 0.33 -3.36 0.06 0.00 -0.06 0.00 0.00 31.44 28.41 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1dcj s HIS 61 N -2.00 2.05 -0.03 4.31 3.76 -0.33 -2.77 115.29 120.29 1dcj s HIS 61 Ca 0.00 -0.35 0.07 0.00 -0.15 0.00 0.00 55.06 54.64 1dcj s HIS 61 Cb 0.00 -2.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.04 1dcj s HIS 61 CO 0.00 -1.15 -0.26 -1.21 -0.85 0.00 0.00 174.74 171.27 1dcj s GLU 62 N -4.80 2.25 -0.71 1.40 2.02 -0.63 -4.50 118.70 113.74 1dcj s GLU 62 Ca 0.61 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 54.42 1dcj s GLU 62 Cb -0.07 -2.08 0.04 0.00 0.10 0.00 0.00 34.13 32.12 1dcj s GLU 62 CO 0.40 0.50 1.17 -1.17 0.02 0.00 0.00 175.26 176.18 1dcj s LEU 63 N -0.46 3.57 -0.04 1.80 2.96 -1.26 0.40 118.68 125.65 1dcj s LEU 63 Ca 0.06 -0.60 -0.26 0.00 -0.22 0.00 0.00 54.13 53.11 1dcj s LEU 63 Cb -0.11 -2.54 -0.21 0.00 0.50 0.00 0.00 46.19 43.82 1dcj s LEU 63 CO 0.01 -1.69 1.18 0.58 -1.32 0.00 0.00 176.35 175.11 1dcj h VAL 64 N 6.02 1.44 -3.03 1.68 2.07 -0.73 -3.46 116.25 120.24 1dcj h VAL 64 Ca -0.28 -1.32 -0.20 0.00 0.82 0.00 0.00 66.70 65.72 1dcj h VAL 64 Cb 1.06 2.33 -0.30 0.00 -1.52 0.00 0.00 31.29 32.86 1dcj h VAL 64 CO 1.24 0.34 -0.48 0.00 0.02 0.00 0.00 177.57 178.69 1dcj s ALA 65 N -3.94 -0.56 0.26 1.67 0.00 -1.16 -4.90 121.76 113.12 1dcj s ALA 65 Ca -0.16 0.99 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1dcj s ALA 65 Cb 0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1dcj s ALA 65 CO 0.67 -0.20 0.38 0.15 0.00 0.00 0.00 175.76 176.77 1dcj s LYS 66 N 1.23 3.36 -0.16 0.00 3.01 -1.26 0.76 119.74 126.68 1dcj s LYS 66 Ca -0.09 -0.82 -0.04 0.00 -1.01 0.00 0.00 55.97 54.01 1dcj s LYS 66 Cb -0.10 -2.87 0.06 0.00 -1.01 0.00 0.00 37.83 33.90 1dcj s LYS 66 CO -0.08 0.35 0.07 -1.21 0.51 0.00 0.00 175.35 174.98 1dcj s GLU 67 N -4.02 0.19 -0.04 1.68 0.41 0.53 -4.88 118.70 112.57 1dcj s GLU 67 Ca 0.36 -0.09 0.25 0.00 -0.41 0.00 0.00 54.97 55.08 1dcj s GLU 67 Cb -0.09 -1.70 0.44 0.00 -1.78 0.00 0.00 34.13 31.00 1dcj s GLU 67 CO 0.29 -0.61 1.17 0.25 -0.49 0.00 0.00 175.26 175.87 1dcj n THR 68 N 5.23 0.26 1.86 3.63 -2.24 -1.26 -1.56 114.28 120.19 1dcj n THR 68 Ca -0.07 -1.32 0.07 0.00 -2.27 0.00 0.00 64.05 60.46 1dcj n THR 68 Cb 0.49 0.93 0.41 0.00 -2.10 0.00 0.00 70.33 70.06 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 0.30 0.00 0.00 3.42 9.92 -1.26 -4.84 116.55 124.09 1dcj n ASP 69 Ca 0.07 -1.43 0.00 0.00 -0.53 0.00 0.00 54.79 52.91 1dcj n ASP 69 Cb 1.09 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.57 1dcj n ASP 69 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dcj n GLY 70 N 0.63 3.88 2.40 0.44 0.00 -1.26 -5.09 105.19 106.18 1dcj n GLY 70 Ca 0.10 -0.84 -0.30 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 -2.14 -4.82 0.99 4.77 -1.26 -4.48 117.00 110.06 1dcj n LEU 71 Ca 0.00 0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 56.23 1dcj n LEU 71 Cb 0.00 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.38 1dcj n LEU 71 CO 0.00 -3.09 0.60 -2.16 -1.33 0.00 0.00 177.39 171.40 1dcj s PRO 72 N -0.73 4.25 0.81 3.23 0.04 -1.26 -5.13 135.00 136.22 1dcj s PRO 72 Ca 0.43 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1dcj s PRO 72 Cb -0.46 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 31.80 1dcj s PRO 72 CO 0.46 0.08 1.09 0.71 0.04 0.00 0.00 177.00 179.38 1dcj s TYR 73 N -2.02 2.66 0.01 0.56 2.02 0.56 -4.74 117.35 116.40 1dcj s TYR 73 Ca 0.58 1.27 -0.11 0.00 -0.37 0.00 0.00 57.07 58.44 1dcj s TYR 73 Cb -0.11 -3.10 0.01 0.00 -0.40 0.00 0.00 41.96 38.36 1dcj s TYR 73 CO 0.16 -1.92 0.23 1.03 -1.57 0.00 0.00 175.55 173.49 1dcj s ARG 74 N -5.03 0.65 -0.20 -0.62 0.52 -0.60 -0.71 118.95 112.95 1dcj s ARG 74 Ca 0.61 -0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 55.33 1dcj s ARG 74 Cb -0.16 0.28 0.08 0.00 0.52 0.00 0.00 34.95 35.67 1dcj s ARG 74 CO 0.55 -0.18 0.46 0.71 0.02 0.00 0.00 175.30 176.86 1dcj s TYR 75 N -1.86 -0.80 0.27 -0.53 2.02 -0.24 0.20 117.35 116.41 1dcj s TYR 75 Ca -0.10 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.05 1dcj s TYR 75 Cb -0.04 0.36 -0.08 0.00 -0.40 0.00 0.00 41.96 41.80 1dcj s TYR 75 CO 0.00 -0.46 0.62 -1.17 -1.57 0.00 0.00 175.55 172.97 1dcj s LEU 76 N 2.17 4.12 -0.21 -1.29 2.96 0.23 -1.98 118.68 124.67 1dcj s LEU 76 Ca -0.05 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.85 1dcj s LEU 76 Cb -0.10 -3.82 0.09 0.00 0.50 0.00 0.00 46.19 42.86 1dcj s LEU 76 CO -0.14 -0.13 0.19 -0.63 -1.32 0.00 0.00 176.35 174.32 1dcj s ILE 77 N -1.90 -0.25 -0.37 6.68 1.01 -0.25 0.02 121.20 126.14 1dcj s ILE 77 Ca 0.50 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1dcj s ILE 77 Cb -0.11 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 1dcj s ILE 77 CO 0.21 -0.30 1.55 -0.60 0.00 0.00 0.00 174.94 175.80 1dcj s ARG 78 N 2.26 3.53 0.27 2.79 3.52 0.16 -2.26 118.95 129.22 1dcj s ARG 78 Ca 0.06 1.16 -0.31 0.00 -0.13 0.00 0.00 55.73 56.52 1dcj s ARG 78 Cb -0.16 -4.07 -0.12 0.00 -1.56 0.00 0.00 34.95 29.04 1dcj s ARG 78 CO -0.16 -1.62 1.64 1.17 -0.81 0.00 0.00 175.30 175.52 1dcj n LYS 79 N 8.13 2.73 -3.00 5.12 0.00 -0.77 -1.61 118.16 128.76 1dcj n LYS 79 Ca 0.19 0.97 0.00 0.00 0.00 0.00 0.00 58.31 59.47 1dcj n LYS 79 Cb 0.47 -2.78 0.00 0.00 0.00 0.00 0.00 35.03 32.72 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 2.74 -1.21 0.00 3.14 0.00 -1.26 -0.58 105.19 108.02 1dcj n GLY 80 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93