#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 3.48 0.20 2.03 -4.23 -1.26 -5.09 115.64 110.77 1dcj s THR 2 Ca 0.00 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.42 1dcj s THR 2 Cb 0.00 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1dcj s THR 2 CO 0.00 -0.11 -0.04 -1.81 -0.54 0.00 0.00 174.62 172.12 1dcj s ASP 3 N 1.36 4.48 -0.20 3.99 1.11 -1.26 -5.06 116.67 121.09 1dcj s ASP 3 Ca -0.02 -0.54 -0.16 0.00 0.18 0.00 0.00 52.55 52.00 1dcj s ASP 3 Cb -0.19 -0.84 -0.08 0.00 1.07 0.00 0.00 42.92 42.88 1dcj s ASP 3 CO 0.01 0.07 -0.28 0.18 1.18 0.00 0.00 175.17 176.33 1dcj n LEU 4 N -0.25 1.92 -0.68 1.23 4.77 -1.26 -4.36 117.00 118.36 1dcj n LEU 4 Ca -0.09 0.39 0.03 0.00 -0.03 0.00 0.00 56.01 56.31 1dcj n LEU 4 Cb 0.56 -0.80 0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1dcj n LEU 4 CO 0.37 -0.06 0.50 0.49 -1.33 0.00 0.00 177.39 177.36 1dcj n PHE 5 N -4.44 0.47 -0.67 -1.77 3.01 -1.26 -4.87 117.46 107.93 1dcj n PHE 5 Ca -0.24 -0.18 -0.22 0.00 1.01 0.00 0.00 57.45 57.82 1dcj n PHE 5 Cb 0.57 -0.12 0.11 0.00 -0.01 0.00 0.00 39.48 40.03 1dcj n PHE 5 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1dcj n SER 6 N 0.16 -2.72 -4.46 4.37 2.88 -1.26 -4.38 113.62 108.20 1dcj n SER 6 Ca 0.08 -0.21 -0.45 0.00 -1.33 0.00 0.00 58.87 56.95 1dcj n SER 6 Cb 0.37 -0.72 -0.10 0.00 -0.75 0.00 0.00 64.21 63.01 1dcj n SER 6 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1dcj n SER 7 N 0.10 1.22 -4.81 -3.46 3.41 -1.26 -4.87 113.62 103.95 1dcj n SER 7 Ca 0.03 0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.50 1dcj n SER 7 Cb 0.42 -1.14 0.09 0.00 -0.26 0.00 0.00 64.21 63.33 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 7.75 2.05 0.43 4.33 0.04 -1.26 -4.95 135.00 143.39 1dcj s PRO 8 Ca 1.19 0.59 0.23 0.00 0.04 0.00 0.00 61.00 63.06 1dcj s PRO 8 Cb -0.97 -1.92 0.80 0.00 0.04 0.00 0.00 34.50 32.45 1dcj s PRO 8 CO 0.47 -1.63 1.77 -0.44 0.04 0.00 0.00 177.00 177.21 1dcj h ASP 9 N -1.10 0.00 -5.49 6.66 3.32 -1.66 -3.46 116.42 114.70 1dcj h ASP 9 Ca -0.47 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.37 1dcj h ASP 9 Cb 1.27 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.72 1dcj h ASP 9 CO 0.60 0.23 -0.31 -1.00 -1.72 0.00 0.00 179.24 177.03 1dcj s HIS 10 N -3.53 0.93 0.09 4.55 3.76 -0.49 -4.97 115.29 115.62 1dcj s HIS 10 Ca 0.01 -1.17 -0.07 0.00 -0.15 0.00 0.00 55.06 53.68 1dcj s HIS 10 Cb 0.09 -0.18 -0.01 0.00 1.11 0.00 0.00 32.58 33.59 1dcj s HIS 10 CO 0.65 -0.93 0.16 0.99 -0.85 0.00 0.00 174.74 174.76 1dcj s THR 11 N -3.70 0.15 -0.22 1.30 2.01 -1.26 -1.17 115.64 112.74 1dcj s THR 11 Ca 0.31 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 1dcj s THR 11 Cb 0.02 -1.44 0.11 0.00 0.01 0.00 0.00 72.50 71.20 1dcj s THR 11 CO 0.15 -0.66 0.27 -0.22 -0.69 0.00 0.00 174.62 173.47 1dcj s LEU 12 N -2.89 -0.27 0.16 4.42 2.96 0.13 -4.86 118.68 118.33 1dcj s LEU 12 Ca 0.07 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 1dcj s LEU 12 Cb 0.05 0.61 -0.07 0.00 0.50 0.00 0.00 46.19 47.28 1dcj s LEU 12 CO -0.09 -0.33 1.11 -0.62 -1.32 0.00 0.00 176.35 175.10 1dcj s ASP 13 N 2.39 7.25 -0.00 3.68 2.15 -1.26 -0.89 116.67 129.99 1dcj s ASP 13 Ca 0.09 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.14 1dcj s ASP 13 Cb -0.15 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1dcj s ASP 13 CO -0.15 -0.25 0.89 0.00 -0.17 0.00 0.00 175.17 175.49 1dcj n ALA 14 N 2.60 1.78 -2.61 3.66 0.00 0.37 -4.85 120.51 121.46 1dcj n ALA 14 Ca 0.03 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 1dcj n ALA 14 Cb 0.46 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.03 3.64 0.00 0.00 1.43 -1.25 -1.74 118.68 120.72 1dcj s LEU 15 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1dcj s LEU 15 Cb 0.00 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.23 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 5.12 0.44 3.91 -3.19 0.00 -1.26 -4.82 105.19 105.38 1dcj n GLY 16 Ca 0.06 0.00 -0.31 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 4.30 -0.01 0.99 1.43 -0.71 -4.99 118.68 119.69 1dcj s LEU 17 Ca 0.00 0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1dcj s LEU 17 Cb 0.00 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.03 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 -2.61 0.33 0.31 1.70 1.70 -1.26 -4.11 118.95 115.00 1dcj s ARG 18 Ca 0.39 -0.28 -0.26 0.00 -0.47 0.00 0.00 55.73 55.10 1dcj s ARG 18 Cb -0.12 0.14 -0.14 0.00 -0.57 0.00 0.00 34.95 34.25 1dcj s ARG 18 CO 0.26 -0.07 0.80 0.00 -1.08 0.00 0.00 175.30 175.21 1dcj n PRO 20 N 0.72 1.65 -0.19 0.00 -0.04 -1.26 -4.91 135.00 130.97 1dcj n PRO 20 Ca 0.12 -0.98 -0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1dcj n PRO 20 Cb 0.33 -1.40 0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 2.01 0.29 0.33 0.54 4.39 -0.73 0.50 114.58 121.93 1dcj h GLU 21 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1dcj h GLU 21 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1dcj h GLU 21 CO 0.00 0.19 -0.16 -1.00 -1.16 0.00 0.00 179.01 176.88 1dcj h PRO 22 N 0.30 -0.43 -0.90 2.33 0.13 -1.87 -1.40 132.00 130.16 1dcj h PRO 22 Ca 0.30 0.03 0.26 0.00 -0.87 0.00 0.00 66.00 65.72 1dcj h PRO 22 Cb 0.41 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 1dcj h PRO 22 CO -0.35 -0.29 0.84 0.28 -0.23 0.00 0.00 178.00 178.25 1dcj h VAL 23 N -0.72 0.25 -0.18 1.56 2.07 -1.87 0.55 116.25 117.90 1dcj h VAL 23 Ca -0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1dcj h VAL 23 Cb 0.34 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1dcj h VAL 23 CO 0.08 0.00 -0.23 0.24 0.02 0.00 0.00 177.57 177.67 1dcj h MET 24 N 0.00 0.48 -0.76 1.57 2.86 0.50 -2.62 114.93 116.97 1dcj h MET 24 Ca 0.43 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1dcj h MET 24 Cb 2.10 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.74 1dcj h MET 24 CO -0.00 0.86 0.50 0.52 1.06 0.00 0.00 176.91 179.85 1dcj h MET 25 N 0.14 1.00 0.00 1.72 2.86 0.12 -0.31 114.93 120.46 1dcj h MET 25 Ca 0.02 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1dcj h MET 25 Cb 0.79 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1dcj h MET 25 CO 0.06 0.66 -0.13 0.28 1.06 0.00 0.00 176.91 178.84 1dcj h VAL 26 N 1.03 0.87 0.42 -2.22 2.07 -1.40 -0.60 116.25 116.42 1dcj h VAL 26 Ca 0.28 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1dcj h VAL 26 Cb -0.12 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1dcj h VAL 26 CO -0.06 0.12 -0.20 0.03 0.02 0.00 0.00 177.57 177.48 1dcj h ARG 27 N 0.00 -0.55 -0.87 1.57 -0.00 -0.67 0.95 114.38 114.82 1dcj h ARG 27 Ca -0.00 0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 1dcj h ARG 27 Cb 0.26 0.12 -0.04 0.00 0.00 0.00 0.00 29.97 30.31 1dcj h ARG 27 CO 0.02 -0.24 0.48 0.87 0.00 0.00 0.00 179.97 181.10 1dcj h LYS 28 N -0.89 1.20 -0.23 0.04 1.57 -1.30 0.64 116.57 117.60 1dcj h LYS 28 Ca -0.06 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1dcj h LYS 28 Cb 0.56 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1dcj h LYS 28 CO 0.10 0.87 -0.18 1.15 -0.57 0.00 0.00 179.45 180.81 1dcj h THR 29 N 1.21 1.23 0.00 -0.16 2.02 -1.04 0.11 112.91 116.28 1dcj h THR 29 Ca 0.31 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1dcj h THR 29 Cb 0.01 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1dcj h THR 29 CO -0.05 0.33 -0.40 0.58 0.37 0.00 0.00 175.52 176.35 1dcj h VAL 30 N 0.36 0.95 -0.01 3.16 2.07 0.37 0.13 116.25 123.29 1dcj h VAL 30 Ca 0.06 -1.58 -0.18 0.00 0.82 0.00 0.00 66.70 65.82 1dcj h VAL 30 Cb 0.53 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1dcj h VAL 30 CO 0.03 0.39 -0.81 0.03 0.02 0.00 0.00 177.57 177.24 1dcj h ARG 31 N 0.00 0.18 -0.65 1.57 3.08 0.25 -3.08 114.38 115.74 1dcj h ARG 31 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1dcj h ARG 31 Cb 0.91 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1dcj h ARG 31 CO 0.05 0.90 0.00 0.27 -1.07 0.00 0.00 179.97 180.12 1dcj n ASN 32 N -3.70 3.74 -4.88 7.04 2.04 0.00 -4.96 115.26 114.55 1dcj n ASN 32 Ca -0.03 -2.00 -0.21 0.00 -0.44 0.00 0.00 54.58 51.90 1dcj n ASN 32 Cb 0.76 -0.43 0.07 0.00 -2.53 0.00 0.00 39.78 37.65 1dcj n ASN 32 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1dcj s MET 33 N -1.02 2.15 0.04 -3.83 -1.94 0.42 -5.04 119.30 110.09 1dcj s MET 33 Ca 0.44 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 1dcj s MET 33 Cb 0.23 -2.51 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 1dcj s MET 33 CO 0.30 -1.01 -0.04 -0.65 -0.01 0.00 0.00 175.02 173.61 1dcj s GLN 34 N -4.84 0.49 -0.04 2.03 -0.21 -1.26 -4.98 119.66 110.85 1dcj s GLN 34 Ca 0.62 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.82 1dcj s GLN 34 Cb -0.07 0.03 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 1dcj s GLN 34 CO 0.40 -0.05 1.46 -1.25 -2.12 0.00 0.00 175.29 173.74 1dcj s PRO 35 N -2.40 4.24 0.00 2.91 0.04 -1.25 -2.46 135.00 136.07 1dcj s PRO 35 Ca -0.06 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1dcj s PRO 35 Cb -0.03 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1dcj s PRO 35 CO -0.04 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1dcj n GLY 36 N 3.80 1.31 2.05 0.56 0.00 0.28 -4.92 105.19 108.27 1dcj n GLY 36 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 1.22 -4.05 1.61 1.02 -1.03 -4.97 120.64 113.09 1dcj n GLU 37 Ca 0.00 -2.09 -0.09 0.00 -0.02 0.00 0.00 57.16 54.95 1dcj n GLU 37 Cb 0.00 0.64 -0.11 0.00 -0.02 0.00 0.00 31.44 31.95 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 -2.10 0.29 -0.12 2.62 -4.23 -1.26 -1.68 115.64 109.16 1dcj s THR 38 Ca 0.02 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1dcj s THR 38 Cb 0.00 -0.84 0.06 0.00 1.34 0.00 0.00 72.50 73.06 1dcj s THR 38 CO 0.01 -0.66 0.18 -0.22 -0.54 0.00 0.00 174.62 173.39 1dcj s LEU 39 N -2.07 -0.08 0.23 4.79 2.96 -0.92 -1.40 118.68 122.18 1dcj s LEU 39 Ca -0.05 0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.90 1dcj s LEU 39 Cb -0.03 0.31 -0.08 0.00 0.50 0.00 0.00 46.19 46.89 1dcj s LEU 39 CO -0.04 -0.27 0.67 -0.22 -1.32 0.00 0.00 176.35 175.17 1dcj s LEU 40 N 2.31 4.26 -0.07 -0.68 2.96 -0.32 -1.04 118.68 126.10 1dcj s LEU 40 Ca 0.04 1.25 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 1dcj s LEU 40 Cb -0.13 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.97 1dcj s LEU 40 CO -0.07 -0.02 0.13 -0.63 -1.32 0.00 0.00 176.35 174.43 1dcj s ILE 41 N -1.65 -0.18 0.33 6.68 1.01 -0.80 0.19 121.20 126.78 1dcj s ILE 41 Ca 0.45 0.33 0.05 0.00 0.00 0.00 0.00 60.65 61.48 1dcj s ILE 41 Cb -0.14 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 1dcj s ILE 41 CO 0.20 0.14 0.47 -0.63 0.00 0.00 0.00 174.94 175.12 1dcj s ILE 42 N 1.98 4.39 -0.29 2.92 1.01 -0.07 -0.85 121.20 130.30 1dcj s ILE 42 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 1dcj s ILE 42 Cb -0.12 -3.55 0.12 0.00 0.01 0.00 0.00 42.46 38.92 1dcj s ILE 42 CO -0.05 -0.24 0.79 0.00 0.00 0.00 0.00 174.94 175.44 1dcj s ALA 43 N -2.18 -2.10 -0.09 9.38 0.00 0.49 -0.48 121.76 126.78 1dcj s ALA 43 Ca 0.43 2.32 0.18 0.00 0.00 0.00 0.00 51.96 54.88 1dcj s ALA 43 Cb -0.09 -1.64 -0.26 0.00 0.00 0.00 0.00 23.12 21.12 1dcj s ALA 43 CO 0.32 -0.54 0.26 -0.40 0.00 0.00 0.00 175.76 175.40 1dcj n ASP 44 N 4.46 0.66 -4.77 0.00 5.68 -0.96 -0.34 116.55 121.29 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 1.47 0.01 0.00 -1.14 0.00 0.00 41.12 42.02 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 6.04 0.40 -1.12 2.15 -1.23 -4.87 116.67 113.44 1dcj s ASP 45 Ca -0.08 2.90 0.26 0.00 0.43 0.00 0.00 52.55 56.06 1dcj s ASP 45 Cb 0.09 -2.65 0.68 0.00 -0.30 0.00 0.00 42.92 40.74 1dcj s ASP 45 CO 0.76 -1.06 1.72 1.55 -0.17 0.00 0.00 175.17 177.97 1dcj h PRO 46 N 2.52 0.00 -0.01 4.34 0.13 -1.91 -3.04 132.00 134.04 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 -2.01 2.85 0.05 -0.56 0.00 -1.26 -4.00 120.51 115.58 1dcj n ALA 47 Ca 0.04 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.83 1dcj n ALA 47 Cb 0.45 -1.15 -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 1.68 0.80 -0.46 0.00 1.35 -1.86 -0.86 112.91 113.57 1dcj h THR 48 Ca 0.00 -2.44 0.09 0.00 -0.55 0.00 0.00 66.41 63.51 1dcj h THR 48 Cb 0.50 2.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.55 1dcj h THR 48 CO 0.00 0.88 0.31 0.71 -0.25 0.00 0.00 175.52 177.17 1dcj h THR 49 N 0.09 0.89 0.03 6.82 1.35 -1.70 0.65 112.91 121.05 1dcj h THR 49 Ca -0.38 -0.08 -0.37 0.00 -0.55 0.00 0.00 66.41 65.03 1dcj h THR 49 Cb 2.07 0.62 -0.05 0.00 -1.73 0.00 0.00 68.15 69.06 1dcj h THR 49 CO 0.14 0.04 -2.27 0.54 -0.25 0.00 0.00 175.52 173.72 1dcj n ARG 50 N -4.46 0.68 -0.05 4.72 3.00 -1.25 -4.44 116.66 114.87 1dcj n ARG 50 Ca 0.07 0.17 -0.21 0.00 -0.01 0.00 0.00 57.85 57.87 1dcj n ARG 50 Cb 0.35 -1.59 -0.13 0.00 0.00 0.00 0.00 32.46 31.09 1dcj n ARG 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1dcj h ASP 51 N 0.02 0.17 -0.38 0.55 3.32 -0.93 -2.90 116.42 116.28 1dcj h ASP 51 Ca -0.51 -0.72 0.08 0.00 0.02 0.00 0.00 57.03 55.89 1dcj h ASP 51 Cb 2.00 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 41.43 1dcj h ASP 51 CO -0.01 1.53 -0.10 0.40 -1.72 0.00 0.00 179.24 179.35 1dcj h ILE 52 N -0.64 0.62 -0.00 0.35 2.04 -1.02 0.76 117.51 119.61 1dcj h ILE 52 Ca -0.31 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1dcj h ILE 52 Cb 1.51 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1dcj h ILE 52 CO -0.07 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 179.62 1dcj h PRO 53 N -0.00 0.02 -0.55 2.37 0.13 -1.76 -2.53 132.00 129.68 1dcj h PRO 53 Ca 0.18 -0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.46 1dcj h PRO 53 Cb 0.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 1dcj h PRO 53 CO -0.39 0.64 0.67 0.78 -0.23 0.00 0.00 178.00 179.46 1dcj h GLY 54 N -0.60 0.00 0.16 1.56 0.00 -1.26 0.27 103.07 103.20 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 -0.05 -0.94 5.60 3.57 -0.48 -2.86 116.94 121.78 1dcj h PHE 55 Ca 0.26 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.87 1dcj h PHE 55 Cb 1.59 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.27 1dcj h PHE 55 CO 0.00 0.62 0.60 0.00 -2.23 0.00 0.00 178.31 177.30 1dcj h THR 57 N 0.90 1.20 0.00 0.00 2.02 -1.23 -0.34 112.91 115.46 1dcj h THR 57 Ca 0.45 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 66.64 1dcj h THR 57 Cb 0.49 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1dcj h THR 57 CO -0.21 0.27 -0.60 0.15 0.37 0.00 0.00 175.52 175.50 1dcj h PHE 58 N 0.29 0.00 -0.29 3.16 3.04 -0.42 -3.04 116.94 119.68 1dcj h PHE 58 Ca 0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1dcj h PHE 58 Cb 0.42 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1dcj h PHE 58 CO 0.01 0.60 0.00 -1.33 -2.02 0.00 0.00 178.31 175.57 1dcj n MET 59 N -3.77 1.87 -1.38 1.11 2.81 -0.77 -4.89 117.12 112.09 1dcj n MET 59 Ca -0.01 -1.33 0.00 0.00 -1.81 0.00 0.00 57.70 54.55 1dcj n MET 59 Cb 0.61 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.56 0.00 -2.81 0.03 0.00 -1.13 -4.82 120.64 112.47 1dcj n GLU 60 Ca 0.15 0.22 -0.20 0.00 0.00 0.00 0.00 57.16 57.32 1dcj n GLU 60 Cb 0.35 -3.39 0.06 0.00 0.00 0.00 0.00 31.44 28.45 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1dcj s HIS 61 N -2.00 2.12 0.05 4.31 3.76 -0.18 -3.36 115.29 119.99 1dcj s HIS 61 Ca 0.00 -0.36 0.08 0.00 -0.15 0.00 0.00 55.06 54.64 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 -1.07 -0.23 -1.21 -0.85 0.00 0.00 174.74 171.37 1dcj s GLU 62 N -4.75 1.57 -0.63 1.40 8.01 -0.74 -4.45 118.70 119.12 1dcj s GLU 62 Ca 0.60 -1.02 -0.24 0.00 0.01 0.00 0.00 54.97 54.32 1dcj s GLU 62 Cb -0.08 -1.72 0.06 0.00 -4.31 0.00 0.00 34.13 28.07 1dcj s GLU 62 CO 0.39 0.44 0.99 -1.17 0.01 0.00 0.00 175.26 175.92 1dcj s LEU 63 N -1.22 4.16 -0.04 1.80 2.96 -1.26 0.45 118.68 125.52 1dcj s LEU 63 Ca 0.09 -0.70 -0.26 0.00 -0.22 0.00 0.00 54.13 53.04 1dcj s LEU 63 Cb -0.09 -2.58 -0.20 0.00 0.50 0.00 0.00 46.19 43.81 1dcj s LEU 63 CO 0.02 -1.41 1.13 0.58 -1.32 0.00 0.00 176.35 175.35 1dcj h VAL 64 N 5.99 1.35 -2.97 1.68 2.07 -0.69 -3.46 116.25 120.22 1dcj h VAL 64 Ca -0.28 -1.31 -0.18 0.00 0.82 0.00 0.00 66.70 65.75 1dcj h VAL 64 Cb 1.07 2.21 -0.29 0.00 -1.52 0.00 0.00 31.29 32.76 1dcj h VAL 64 CO 1.16 0.33 -0.45 0.00 0.02 0.00 0.00 177.57 178.63 1dcj s ALA 65 N -3.88 -0.65 0.32 1.67 0.00 -1.16 -4.92 121.76 113.14 1dcj s ALA 65 Ca -0.16 1.07 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1dcj s ALA 65 Cb 0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1dcj s ALA 65 CO 0.64 -0.20 0.46 0.15 0.00 0.00 0.00 175.76 176.81 1dcj s LYS 66 N 1.19 3.25 -0.15 0.00 3.01 -1.26 0.56 119.74 126.34 1dcj s LYS 66 Ca -0.09 -0.81 -0.04 0.00 -1.01 0.00 0.00 55.97 54.02 1dcj s LYS 66 Cb -0.09 -2.80 0.05 0.00 -1.01 0.00 0.00 37.83 33.98 1dcj s LYS 66 CO -0.09 0.16 0.07 -1.21 0.51 0.00 0.00 175.35 174.79 1dcj s GLU 67 N -4.16 0.16 -0.03 1.68 0.41 0.50 -4.88 118.70 112.38 1dcj s GLU 67 Ca 0.41 -0.06 0.25 0.00 -0.41 0.00 0.00 54.97 55.17 1dcj s GLU 67 Cb -0.09 -1.64 0.43 0.00 -1.78 0.00 0.00 34.13 31.05 1dcj s GLU 67 CO 0.32 -0.60 1.17 0.25 -0.49 0.00 0.00 175.26 175.91 1dcj n THR 68 N 5.24 0.17 1.94 3.63 -2.24 -1.26 -1.50 114.28 120.27 1dcj n THR 68 Ca -0.07 -1.22 0.07 0.00 -2.27 0.00 0.00 64.05 60.56 1dcj n THR 68 Cb 0.49 0.96 0.39 0.00 -2.10 0.00 0.00 70.33 70.07 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 0.36 0.00 0.00 3.42 9.92 -1.26 -4.84 116.55 124.15 1dcj n ASP 69 Ca 0.07 -1.53 0.00 0.00 -0.53 0.00 0.00 54.79 52.79 1dcj n ASP 69 Cb 1.11 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.59 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 0.67 3.93 2.61 0.44 0.00 -1.26 -5.09 105.19 106.49 1dcj n GLY 70 Ca 0.10 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.33 -4.81 0.99 4.77 -1.26 -4.46 117.00 109.90 1dcj n LEU 71 Ca 0.00 0.63 -0.34 0.00 -0.03 0.00 0.00 56.01 56.27 1dcj n LEU 71 Cb 0.00 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1dcj n LEU 71 CO 0.00 -3.37 0.60 -2.16 -1.33 0.00 0.00 177.39 171.13 1dcj s PRO 72 N -0.79 4.31 0.78 3.23 0.04 -1.26 -5.13 135.00 136.18 1dcj s PRO 72 Ca 0.47 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1dcj s PRO 72 Cb -0.50 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 31.65 1dcj s PRO 72 CO 0.50 0.12 1.09 0.71 0.04 0.00 0.00 177.00 179.46 1dcj s TYR 73 N -1.93 2.66 0.03 0.56 2.02 0.53 -4.72 117.35 116.49 1dcj s TYR 73 Ca 0.56 1.42 -0.08 0.00 -0.37 0.00 0.00 57.07 58.60 1dcj s TYR 73 Cb -0.13 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 1dcj s TYR 73 CO 0.17 -1.80 0.16 1.03 -1.57 0.00 0.00 175.55 173.54 1dcj s ARG 74 N -4.97 0.60 -0.20 -0.62 0.52 -0.56 -0.38 118.95 113.35 1dcj s ARG 74 Ca 0.61 -0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 55.17 1dcj s ARG 74 Cb -0.16 0.25 0.09 0.00 0.52 0.00 0.00 34.95 35.64 1dcj s ARG 74 CO 0.56 -0.16 0.44 0.71 0.02 0.00 0.00 175.30 176.87 1dcj s TYR 75 N -2.15 -0.80 0.27 -0.53 2.02 -0.03 0.19 117.35 116.32 1dcj s TYR 75 Ca -0.09 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.04 1dcj s TYR 75 Cb -0.03 0.34 -0.08 0.00 -0.40 0.00 0.00 41.96 41.79 1dcj s TYR 75 CO -0.02 -0.47 0.63 -1.17 -1.57 0.00 0.00 175.55 172.96 1dcj s LEU 76 N 2.33 4.12 -0.19 -1.29 2.96 0.19 -1.91 118.68 124.90 1dcj s LEU 76 Ca -0.04 1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.91 1dcj s LEU 76 Cb -0.11 -3.86 0.08 0.00 0.50 0.00 0.00 46.19 42.80 1dcj s LEU 76 CO -0.13 -0.13 0.16 -0.63 -1.32 0.00 0.00 176.35 174.30 1dcj s ILE 77 N -1.89 -0.22 -0.37 6.68 1.01 -0.20 0.05 121.20 126.26 1dcj s ILE 77 Ca 0.50 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 1dcj s ILE 77 Cb -0.11 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 1dcj s ILE 77 CO 0.19 -0.24 1.60 -0.60 0.00 0.00 0.00 174.94 175.90 1dcj s ARG 78 N 2.24 3.46 0.21 2.79 3.52 0.17 -2.17 118.95 129.17 1dcj s ARG 78 Ca 0.05 1.19 -0.32 0.00 -0.13 0.00 0.00 55.73 56.51 1dcj s ARG 78 Cb -0.16 -4.11 -0.14 0.00 -1.56 0.00 0.00 34.95 28.99 1dcj s ARG 78 CO -0.11 -1.70 1.48 1.17 -0.81 0.00 0.00 175.30 175.32 1dcj n LYS 79 N 8.25 2.07 -2.14 5.12 3.00 -0.68 -1.79 118.16 132.00 1dcj n LYS 79 Ca 0.20 0.74 -0.04 0.00 -0.00 0.00 0.00 58.31 59.21 1dcj n LYS 79 Cb 0.47 -2.44 -0.01 0.00 0.00 0.00 0.00 35.03 33.05 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 2.66 2.64 3.51 3.14 0.00 -1.26 -0.55 105.19 115.34 1dcj n GLY 80 Ca 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93