#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 4.45 0.23 3.17 2.01 -1.26 -5.00 115.64 119.25 1dcj s THR 2 Ca 0.00 1.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.46 1dcj s THR 2 Cb 0.00 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 1dcj s THR 2 CO 0.00 -0.05 1.12 -1.81 -0.69 0.00 0.00 174.62 173.19 1dcj s ASP 3 N 1.43 7.23 0.00 3.53 1.11 -1.26 -4.91 116.67 123.80 1dcj s ASP 3 Ca 0.52 2.20 0.28 0.00 0.18 0.00 0.00 52.55 55.74 1dcj s ASP 3 Cb -0.21 -2.62 1.12 0.00 1.07 0.00 0.00 42.92 42.28 1dcj s ASP 3 CO 0.17 -0.22 1.82 0.18 1.18 0.00 0.00 175.17 178.31 1dcj n LEU 4 N 1.84 0.23 -0.75 1.23 4.77 -1.26 -3.37 117.00 119.69 1dcj n LEU 4 Ca 0.01 0.24 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1dcj n LEU 4 Cb 0.45 -0.34 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1dcj n LEU 4 CO 0.54 0.05 0.50 0.49 -1.33 0.00 0.00 177.39 177.64 1dcj n PHE 5 N -1.33 0.53 -0.71 -1.77 3.01 -1.26 -4.84 117.46 111.09 1dcj n PHE 5 Ca 0.10 -0.20 -0.23 0.00 1.01 0.00 0.00 57.45 58.13 1dcj n PHE 5 Cb 0.31 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.19 -2.68 -4.45 4.37 7.64 -1.22 -4.36 113.62 113.11 1dcj n SER 6 Ca 0.08 -0.17 -0.46 0.00 1.01 0.00 0.00 58.87 59.34 1dcj n SER 6 Cb 0.42 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 1dcj n SER 6 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dcj n SER 7 N 0.59 1.22 -4.80 6.43 3.41 -1.26 -4.87 113.62 114.34 1dcj n SER 7 Ca 0.02 0.20 -0.30 0.00 -0.26 0.00 0.00 58.87 58.52 1dcj n SER 7 Cb 0.44 -1.13 0.09 0.00 -0.26 0.00 0.00 64.21 63.35 1dcj n SER 7 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1dcj s PRO 8 N 7.63 2.06 0.33 4.33 0.04 -1.26 -4.97 135.00 143.17 1dcj s PRO 8 Ca 1.19 0.64 0.18 0.00 0.04 0.00 0.00 61.00 63.05 1dcj s PRO 8 Cb -1.00 -1.92 0.21 0.00 0.04 0.00 0.00 34.50 31.83 1dcj s PRO 8 CO 0.48 -1.64 1.52 -0.44 0.04 0.00 0.00 177.00 176.96 1dcj h ASP 9 N -1.10 0.00 -5.58 6.66 3.32 -1.76 -3.47 116.42 114.49 1dcj h ASP 9 Ca -0.47 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.31 1dcj h ASP 9 Cb 1.27 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 1dcj h ASP 9 CO 0.59 0.36 -0.38 -1.00 -1.72 0.00 0.00 179.24 177.10 1dcj s HIS 10 N -3.08 1.12 0.10 4.55 3.76 -0.69 -4.98 115.29 116.07 1dcj s HIS 10 Ca 0.04 -1.30 -0.07 0.00 -0.15 0.00 0.00 55.06 53.58 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 0.72 -0.90 0.18 0.99 -0.85 0.00 0.00 174.74 174.88 1dcj s THR 11 N -3.66 0.13 -0.24 1.30 2.01 -1.26 -1.14 115.64 112.79 1dcj s THR 11 Ca 0.34 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 1dcj s THR 11 Cb 0.02 -1.53 0.12 0.00 0.01 0.00 0.00 72.50 71.12 1dcj s THR 11 CO 0.17 -0.60 0.30 -0.22 -0.69 0.00 0.00 174.62 173.59 1dcj s LEU 12 N -2.91 -0.37 0.23 4.42 2.96 0.14 -4.86 118.68 118.30 1dcj s LEU 12 Ca 0.10 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.59 1dcj s LEU 12 Cb 0.05 0.73 -0.09 0.00 0.50 0.00 0.00 46.19 47.38 1dcj s LEU 12 CO -0.07 -0.33 1.11 -0.62 -1.32 0.00 0.00 176.35 175.12 1dcj s ASP 13 N 2.43 7.26 0.00 3.68 2.15 -1.26 -0.82 116.67 130.10 1dcj s ASP 13 Ca 0.10 2.19 0.00 0.00 0.43 0.00 0.00 52.55 55.27 1dcj s ASP 13 Cb -0.15 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1dcj s ASP 13 CO -0.17 -0.19 0.88 0.00 -0.17 0.00 0.00 175.17 175.52 1dcj n ALA 14 N 1.79 1.89 -2.60 3.66 0.00 0.45 -4.84 120.51 120.87 1dcj n ALA 14 Ca 0.01 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 1dcj n ALA 14 Cb 0.45 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 3.61 0.00 0.00 1.43 -1.25 -1.70 118.68 120.76 1dcj s LEU 15 Ca 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1dcj s LEU 15 Cb 0.00 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.17 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 5.09 0.31 3.89 -3.19 0.00 -1.26 -4.82 105.19 105.20 1dcj n GLY 16 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 4.29 -0.01 0.99 1.43 -0.69 -4.98 118.68 119.71 1dcj s LEU 17 Ca 0.00 0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1dcj s LEU 17 Cb 0.00 -3.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.01 1dcj s LEU 17 CO 0.00 0.09 0.09 0.00 0.23 0.00 0.00 176.35 176.76 1dcj s ARG 18 N -2.40 0.35 0.31 1.70 3.03 -1.26 -4.10 118.95 116.57 1dcj s ARG 18 Ca 0.38 -0.30 -0.26 0.00 2.03 0.00 0.00 55.73 57.58 1dcj s ARG 18 Cb -0.13 0.14 -0.14 0.00 -1.03 0.00 0.00 34.95 33.80 1dcj s ARG 18 CO 0.22 -0.07 0.80 0.00 -1.13 0.00 0.00 175.30 175.11 1dcj n PRO 20 N 0.71 1.64 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.96 1dcj n PRO 20 Ca 0.12 -0.95 -0.01 0.00 -0.04 0.00 0.00 63.50 62.62 1dcj n PRO 20 Cb 0.33 -1.40 0.09 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 1.99 0.20 0.47 0.54 5.08 -0.72 0.52 114.58 122.65 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 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1dcj h GLU 21 CO 0.00 0.13 -0.22 -1.00 -1.00 0.00 0.00 179.01 176.92 1dcj h PRO 22 N 0.20 -0.60 -0.84 2.33 0.13 -1.87 -1.09 132.00 130.26 1dcj h PRO 22 Ca 0.28 0.04 0.24 0.00 -0.87 0.00 0.00 66.00 65.70 1dcj h PRO 22 Cb 0.42 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1dcj h PRO 22 CO -0.40 -0.40 0.84 0.28 -0.23 0.00 0.00 178.00 178.08 1dcj h VAL 23 N -1.11 0.22 -0.04 1.56 2.07 -1.86 0.71 116.25 117.81 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 0.48 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1dcj h VAL 23 CO 0.11 0.00 -0.71 0.24 0.02 0.00 0.00 177.57 177.22 1dcj h MET 24 N 0.00 0.55 -0.64 1.57 2.86 0.58 -2.74 114.93 117.11 1dcj h MET 24 Ca 0.40 -0.54 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1dcj h MET 24 Cb 2.07 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 33.84 1dcj h MET 24 CO -0.00 1.17 0.42 0.52 1.06 0.00 0.00 176.91 180.08 1dcj h MET 25 N 0.15 0.84 0.00 1.72 2.86 0.17 0.24 114.93 120.91 1dcj h MET 25 Ca -0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1dcj h MET 25 Cb 1.38 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1dcj h MET 25 CO 0.14 0.56 -0.12 0.28 1.06 0.00 0.00 176.91 178.82 1dcj h VAL 26 N 0.87 0.83 0.43 -2.22 2.07 -1.43 -0.98 116.25 115.82 1dcj h VAL 26 Ca 0.23 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1dcj h VAL 26 Cb -0.10 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1dcj h VAL 26 CO -0.05 0.12 -0.21 0.03 0.02 0.00 0.00 177.57 177.48 1dcj h ARG 27 N 0.00 -0.56 -0.89 1.57 2.47 -0.65 0.74 114.38 117.06 1dcj h ARG 27 Ca -0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1dcj h ARG 27 Cb 0.26 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 1dcj h ARG 27 CO 0.02 -0.25 0.56 0.87 0.56 0.00 0.00 179.97 181.73 1dcj h LYS 28 N -0.93 1.19 -0.29 0.04 1.79 -1.21 0.41 116.57 117.57 1dcj h LYS 28 Ca -0.06 -0.09 -0.09 0.00 -2.18 0.00 0.00 60.65 58.23 1dcj h LYS 28 Cb 0.57 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1dcj h LYS 28 CO 0.10 0.81 -0.21 1.15 -1.08 0.00 0.00 179.45 180.22 1dcj h THR 29 N 1.21 1.26 0.00 -0.16 2.02 -1.13 0.11 112.91 116.22 1dcj h THR 29 Ca 0.32 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.21 1dcj h THR 29 Cb -0.09 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1dcj h THR 29 CO -0.06 0.39 -0.38 0.58 0.37 0.00 0.00 175.52 176.42 1dcj h VAL 30 N 0.49 1.16 0.00 3.16 2.07 0.28 0.62 116.25 124.02 1dcj h VAL 30 Ca 0.08 -1.34 -0.18 0.00 0.82 0.00 0.00 66.70 66.07 1dcj h VAL 30 Cb 0.63 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1dcj h VAL 30 CO 0.04 0.37 -0.84 0.03 0.02 0.00 0.00 177.57 177.19 1dcj h ARG 31 N 0.00 0.03 -0.63 1.57 3.08 0.14 -3.08 114.38 115.49 1dcj h ARG 31 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1dcj h ARG 31 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1dcj h ARG 31 CO 0.05 0.85 0.00 0.27 -1.07 0.00 0.00 179.97 180.07 1dcj n ASN 32 N -3.57 3.73 -4.31 7.04 0.23 0.22 -4.95 115.26 113.65 1dcj n ASN 32 Ca -0.01 -1.99 -0.16 0.00 -0.53 0.00 0.00 54.58 51.88 1dcj n ASN 32 Cb 0.80 -0.42 0.07 0.00 -2.08 0.00 0.00 39.78 38.15 1dcj n ASN 32 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1dcj n MET 33 N 1.46 0.51 -4.05 -3.83 2.81 0.21 -5.02 117.12 109.21 1dcj n MET 33 Ca 0.22 -2.46 -0.10 0.00 -1.81 0.00 0.00 57.70 53.55 1dcj n MET 33 Cb 0.59 -0.28 -0.11 0.00 -0.71 0.00 0.00 33.22 32.71 1dcj n MET 33 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1dcj s GLN 34 N -4.25 0.51 -0.06 0.03 -0.21 -1.26 -4.98 119.66 109.44 1dcj s GLN 34 Ca 0.51 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 1dcj s GLN 34 Cb -0.04 -0.02 -0.05 0.00 1.00 0.00 0.00 33.01 33.91 1dcj s GLN 34 CO 0.33 -0.03 1.50 -1.25 -2.12 0.00 0.00 175.29 173.71 1dcj s PRO 35 N -2.41 4.22 0.00 2.91 0.04 -1.18 -2.28 135.00 136.30 1dcj s PRO 35 Ca -0.05 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1dcj s PRO 35 Cb -0.04 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1dcj s PRO 35 CO -0.03 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1dcj n GLY 36 N 3.88 1.13 2.16 0.56 0.00 0.12 -4.91 105.19 108.13 1dcj n GLY 36 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.68 1.14 -4.10 1.61 1.02 -0.97 -4.97 120.64 112.70 1dcj n GLU 37 Ca 0.00 -2.06 -0.10 0.00 -0.02 0.00 0.00 57.16 54.98 1dcj n GLU 37 Cb 0.00 0.38 -0.10 0.00 -0.02 0.00 0.00 31.44 31.69 1dcj n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dcj s THR 38 N -1.80 0.45 -0.12 2.62 -4.23 -1.26 -1.86 115.64 109.44 1dcj s THR 38 Ca 0.10 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1dcj s THR 38 Cb -0.01 -1.25 0.06 0.00 1.34 0.00 0.00 72.50 72.64 1dcj s THR 38 CO 0.06 -0.77 0.20 -0.22 -0.54 0.00 0.00 174.62 173.35 1dcj s LEU 39 N -2.53 -0.15 0.22 4.79 2.96 -0.89 -1.71 118.68 121.37 1dcj s LEU 39 Ca 0.03 0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.09 1dcj s LEU 39 Cb 0.01 0.42 -0.08 0.00 0.50 0.00 0.00 46.19 47.04 1dcj s LEU 39 CO -0.05 -0.26 0.68 -0.22 -1.32 0.00 0.00 176.35 175.19 1dcj s LEU 40 N 2.34 4.30 -0.06 -0.68 2.96 -0.29 -0.86 118.68 126.38 1dcj s LEU 40 Ca 0.03 1.30 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1dcj s LEU 40 Cb -0.13 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 43.02 1dcj s LEU 40 CO -0.08 0.01 0.12 -0.63 -1.32 0.00 0.00 176.35 174.45 1dcj s ILE 41 N -1.59 -0.12 0.30 6.68 1.01 -0.78 0.26 121.20 126.96 1dcj s ILE 41 Ca 0.44 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.42 1dcj s ILE 41 Cb -0.15 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1dcj s ILE 41 CO 0.20 0.11 0.42 -0.63 0.00 0.00 0.00 174.94 175.04 1dcj s ILE 42 N 1.63 4.47 -0.29 2.92 1.01 0.00 -0.85 121.20 130.09 1dcj s ILE 42 Ca -0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.45 1dcj s ILE 42 Cb -0.12 -3.55 0.12 0.00 0.01 0.00 0.00 42.46 38.91 1dcj s ILE 42 CO -0.05 -0.22 0.79 0.00 0.00 0.00 0.00 174.94 175.46 1dcj s ALA 43 N -2.11 -2.10 -0.08 9.38 0.00 0.14 -0.41 121.76 126.58 1dcj s ALA 43 Ca 0.41 2.32 0.16 0.00 0.00 0.00 0.00 51.96 54.84 1dcj s ALA 43 Cb -0.09 -1.63 -0.24 0.00 0.00 0.00 0.00 23.12 21.16 1dcj s ALA 43 CO 0.30 -0.53 0.24 -0.40 0.00 0.00 0.00 175.76 175.36 1dcj n ASP 44 N 4.43 1.09 -4.77 0.00 5.68 -0.97 -0.19 116.55 121.82 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 1.40 0.01 0.00 -1.14 0.00 0.00 41.12 41.94 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 -4.40 6.11 0.39 -1.12 2.15 -1.23 -4.87 116.67 113.71 1dcj s ASP 45 Ca -0.07 2.90 0.26 0.00 0.43 0.00 0.00 52.55 56.06 1dcj s ASP 45 Cb 0.08 -2.65 0.70 0.00 -0.30 0.00 0.00 42.92 40.75 1dcj s ASP 45 CO 0.69 -1.01 1.73 1.55 -0.17 0.00 0.00 175.17 177.95 1dcj h PRO 46 N 2.61 0.00 -0.01 4.34 0.13 -1.91 -3.01 132.00 134.15 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1dcj h PRO 46 CO 0.62 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.23 1dcj n ALA 47 N -2.00 2.89 0.02 -0.56 0.00 -1.26 -4.05 120.51 115.55 1dcj n ALA 47 Ca 0.04 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1dcj n ALA 47 Cb 0.44 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 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 1.80 0.99 -0.68 0.00 1.35 -1.84 -0.95 112.91 113.58 1dcj h THR 48 Ca 0.00 -2.43 0.15 0.00 -0.55 0.00 0.00 66.41 63.59 1dcj h THR 48 Cb 0.53 2.72 -0.04 0.00 -1.73 0.00 0.00 68.15 69.63 1dcj h THR 48 CO 0.00 0.75 0.46 0.71 -0.25 0.00 0.00 175.52 177.20 1dcj h THR 49 N -0.18 0.77 0.04 6.82 1.35 -1.70 0.12 112.91 120.12 1dcj h THR 49 Ca -0.32 -0.09 -0.37 0.00 -0.55 0.00 0.00 66.41 65.08 1dcj h THR 49 Cb 1.86 0.48 -0.05 0.00 -1.73 0.00 0.00 68.15 68.71 1dcj h THR 49 CO 0.09 0.05 -2.28 0.54 -0.25 0.00 0.00 175.52 173.67 1dcj n ARG 50 N -4.44 0.69 -0.05 4.72 1.74 -1.25 -4.44 116.66 113.64 1dcj n ARG 50 Ca 0.13 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.19 1dcj n ARG 50 Cb 0.56 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 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 0.15 -0.50 0.55 5.19 -0.87 -2.78 116.42 118.18 1dcj h ASP 51 Ca -0.51 -0.81 0.10 0.00 -0.62 0.00 0.00 57.03 55.19 1dcj h ASP 51 Cb 1.99 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 41.37 1dcj h ASP 51 CO -0.01 1.35 0.01 0.40 -3.12 0.00 0.00 179.24 177.86 1dcj h ILE 52 N -0.75 0.61 0.01 0.35 2.04 -1.14 0.14 117.51 118.77 1dcj h ILE 52 Ca -0.20 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1dcj h ILE 52 Cb 1.36 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1dcj h ILE 52 CO -0.03 0.02 -0.00 1.55 0.00 0.00 0.00 178.15 179.69 1dcj h PRO 53 N 0.12 -0.01 -0.61 2.37 0.13 -1.74 -2.47 132.00 129.80 1dcj h PRO 53 Ca 0.25 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.56 1dcj h PRO 53 Cb 0.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 1dcj h PRO 53 CO -0.42 0.63 0.70 0.78 -0.23 0.00 0.00 178.00 179.46 1dcj h GLY 54 N -0.66 0.00 0.15 1.56 0.00 -1.17 0.25 103.07 103.20 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 -0.02 -2.75 0.00 0.00 0.00 176.54 173.77 1dcj h PHE 55 N 0.00 -0.06 -0.90 5.60 3.57 -0.66 -2.94 116.94 121.55 1dcj h PHE 55 Ca 0.29 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.93 1dcj h PHE 55 Cb 1.68 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.37 1dcj h PHE 55 CO 0.00 0.55 0.58 0.00 -2.23 0.00 0.00 178.31 177.21 1dcj h THR 57 N 0.71 1.23 -0.10 0.00 2.02 -1.20 -0.12 112.91 115.45 1dcj h THR 57 Ca 0.45 -1.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.52 1dcj h THR 57 Cb 0.71 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1dcj h THR 57 CO -0.21 0.33 -0.46 0.15 0.37 0.00 0.00 175.52 175.69 1dcj h PHE 58 N 0.46 0.29 -0.16 3.16 3.04 -0.53 -2.89 116.94 120.30 1dcj h PHE 58 Ca 0.09 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1dcj h PHE 58 Cb 0.48 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1dcj h PHE 58 CO 0.02 0.66 0.00 -1.33 -2.02 0.00 0.00 178.31 175.64 1dcj n MET 59 N -3.98 1.57 -1.08 1.11 2.81 -0.90 -4.88 117.12 111.76 1dcj n MET 59 Ca -0.02 -0.86 0.00 0.00 -1.81 0.00 0.00 57.70 55.02 1dcj n MET 59 Cb 0.52 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 0.10 0.00 -2.81 0.03 4.07 -1.09 -4.92 120.64 116.02 1dcj n GLU 60 Ca 0.14 0.30 -0.20 0.00 -0.06 0.00 0.00 57.16 57.34 1dcj n GLU 60 Cb 0.25 -3.25 0.06 0.00 -0.06 0.00 0.00 31.44 28.45 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 2.12 0.04 4.31 3.76 -0.09 -3.02 115.29 120.41 1dcj s HIS 61 Ca 0.00 -0.36 0.08 0.00 -0.15 0.00 0.00 55.06 54.63 1dcj s HIS 61 Cb 0.00 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1dcj s HIS 61 CO 0.00 -1.08 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.38 1dcj s GLU 62 N -4.75 1.50 -0.63 1.40 2.02 -0.57 -4.37 118.70 113.30 1dcj s GLU 62 Ca 0.60 -0.97 -0.24 0.00 0.02 0.00 0.00 54.97 54.38 1dcj s GLU 62 Cb -0.08 -1.62 0.05 0.00 0.10 0.00 0.00 34.13 32.58 1dcj s GLU 62 CO 0.39 0.42 1.03 -1.17 0.02 0.00 0.00 175.26 175.95 1dcj s LEU 63 N -1.15 3.98 -0.02 1.80 2.96 -1.26 0.48 118.68 125.47 1dcj s LEU 63 Ca 0.08 -0.57 -0.25 0.00 -0.22 0.00 0.00 54.13 53.17 1dcj s LEU 63 Cb -0.09 -2.65 -0.20 0.00 0.50 0.00 0.00 46.19 43.75 1dcj s LEU 63 CO 0.02 -1.44 1.22 0.58 -1.32 0.00 0.00 176.35 175.40 1dcj h VAL 64 N 6.01 1.43 -2.95 1.68 2.07 -0.56 -3.46 116.25 120.48 1dcj h VAL 64 Ca -0.27 -1.35 -0.18 0.00 0.82 0.00 0.00 66.70 65.71 1dcj h VAL 64 Cb 1.07 2.27 -0.29 0.00 -1.52 0.00 0.00 31.29 32.81 1dcj h VAL 64 CO 1.17 0.36 -0.45 0.00 0.02 0.00 0.00 177.57 178.67 1dcj s ALA 65 N -3.99 -0.65 0.21 1.67 0.00 -1.16 -4.90 121.76 112.94 1dcj s ALA 65 Ca -0.16 1.10 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1dcj s ALA 65 Cb 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1dcj s ALA 65 CO 0.70 -0.22 0.37 0.15 0.00 0.00 0.00 175.76 176.76 1dcj s LYS 66 N 1.31 3.47 -0.19 0.00 3.01 -1.26 0.59 119.74 126.67 1dcj s LYS 66 Ca -0.09 -0.53 -0.01 0.00 -1.01 0.00 0.00 55.97 54.32 1dcj s LYS 66 Cb -0.10 -2.87 0.05 0.00 -1.01 0.00 0.00 37.83 33.90 1dcj s LYS 66 CO -0.09 0.42 -0.01 -1.21 0.51 0.00 0.00 175.35 174.97 1dcj s GLU 67 N -3.58 1.05 -0.08 1.68 8.01 0.54 -4.89 118.70 121.42 1dcj s GLU 67 Ca 0.36 -0.53 0.24 0.00 0.01 0.00 0.00 54.97 55.05 1dcj s GLU 67 Cb -0.10 -2.10 0.45 0.00 -4.31 0.00 0.00 34.13 28.06 1dcj s GLU 67 CO 0.30 -0.56 1.16 0.25 0.01 0.00 0.00 175.26 176.42 1dcj n THR 68 N 4.93 0.48 1.98 3.63 -2.24 -1.26 -1.62 114.28 120.17 1dcj n THR 68 Ca -0.10 -1.64 0.07 0.00 -2.27 0.00 0.00 64.05 60.11 1dcj n THR 68 Cb 0.47 0.95 0.38 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.13 0.04 0.00 3.42 9.92 -1.26 -4.86 116.55 123.94 1dcj n ASP 69 Ca 0.08 -1.60 0.00 0.00 -0.53 0.00 0.00 54.79 52.74 1dcj n ASP 69 Cb 1.04 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.52 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 0.71 3.96 2.76 0.44 0.00 -1.26 -5.09 105.19 106.72 1dcj n GLY 70 Ca 0.10 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.47 -4.81 0.99 4.77 -1.26 -4.44 117.00 109.78 1dcj n LEU 71 Ca 0.00 0.67 -0.34 0.00 -0.03 0.00 0.00 56.01 56.30 1dcj n LEU 71 Cb 0.00 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1dcj n LEU 71 CO 0.00 -3.57 0.61 -2.16 -1.33 0.00 0.00 177.39 170.94 1dcj s PRO 72 N -0.84 4.33 0.89 3.23 0.04 -1.26 -5.13 135.00 136.26 1dcj s PRO 72 Ca 0.49 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 1dcj s PRO 72 Cb -0.52 -2.46 0.12 0.00 0.04 0.00 0.00 34.50 31.68 1dcj s PRO 72 CO 0.53 0.12 1.10 0.71 0.04 0.00 0.00 177.00 179.50 1dcj s TYR 73 N -1.93 2.44 0.03 0.56 2.02 0.74 -4.73 117.35 116.48 1dcj s TYR 73 Ca 0.56 1.15 -0.12 0.00 -0.37 0.00 0.00 57.07 58.29 1dcj s TYR 73 Cb -0.13 -3.19 0.01 0.00 -0.40 0.00 0.00 41.96 38.26 1dcj s TYR 73 CO 0.18 -2.31 0.25 1.03 -1.57 0.00 0.00 175.55 173.13 1dcj s ARG 74 N -5.03 0.73 -0.22 -0.62 0.52 -0.64 -0.68 118.95 113.01 1dcj s ARG 74 Ca 0.63 -0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 55.23 1dcj s ARG 74 Cb -0.17 0.31 0.09 0.00 0.52 0.00 0.00 34.95 35.70 1dcj s ARG 74 CO 0.56 -0.22 0.50 0.71 0.02 0.00 0.00 175.30 176.87 1dcj s TYR 75 N -2.36 -0.88 0.32 -0.53 2.02 -0.03 0.20 117.35 116.08 1dcj s TYR 75 Ca -0.06 1.70 -0.10 0.00 -0.37 0.00 0.00 57.07 58.24 1dcj s TYR 75 Cb -0.02 0.44 -0.07 0.00 -0.40 0.00 0.00 41.96 41.91 1dcj s TYR 75 CO -0.02 -0.48 0.66 -1.17 -1.57 0.00 0.00 175.55 172.96 1dcj s LEU 76 N 2.15 4.02 -0.21 -1.29 2.96 0.20 -1.87 118.68 124.65 1dcj s LEU 76 Ca -0.06 1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1dcj s LEU 76 Cb -0.10 -3.85 0.09 0.00 0.50 0.00 0.00 46.19 42.84 1dcj s LEU 76 CO -0.15 -0.23 0.20 -0.63 -1.32 0.00 0.00 176.35 174.22 1dcj s ILE 77 N -2.08 -0.28 -0.37 6.68 1.01 -0.04 0.21 121.20 126.33 1dcj s ILE 77 Ca 0.49 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1dcj s ILE 77 Cb -0.11 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 1dcj s ILE 77 CO 0.25 -0.26 1.60 -0.60 0.00 0.00 0.00 174.94 175.93 1dcj s ARG 78 N 2.28 3.47 -0.33 2.79 3.52 0.18 -2.10 118.95 128.77 1dcj s ARG 78 Ca 0.06 1.19 -0.29 0.00 -0.13 0.00 0.00 55.73 56.57 1dcj s ARG 78 Cb -0.16 -4.11 -0.01 0.00 -1.56 0.00 0.00 34.95 29.11 1dcj s ARG 78 CO -0.14 -1.70 1.69 0.21 -0.81 0.00 0.00 175.30 174.55 1dcj s LYS 79 N 5.27 3.47 0.00 5.12 2.20 -0.78 -1.51 119.74 133.51 1dcj s LYS 79 Ca 0.70 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 1dcj s LYS 79 Cb -0.18 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 1dcj s LYS 79 CO 0.33 -1.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.04 1dcj n GLY 80 N 5.22 2.36 0.66 5.54 0.00 -1.26 -0.70 105.19 117.00 1dcj n GLY 80 Ca 0.21 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.50 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93