#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcj n THR 2 N 0.00 0.00 -3.07 2.03 5.66 -1.26 -4.89 114.28 112.75 1dcj n THR 2 Ca 0.00 -0.19 -0.43 0.00 -3.05 0.00 0.00 64.05 60.38 1dcj n THR 2 Cb 0.00 -0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 68.08 1dcj n THR 2 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1dcj s ASP 3 N -2.04 6.29 0.00 1.09 1.11 -1.26 -4.86 116.67 117.00 1dcj s ASP 3 Ca 0.57 -0.57 0.24 0.00 0.18 0.00 0.00 52.55 52.97 1dcj s ASP 3 Cb -0.21 -2.33 0.30 0.00 1.07 0.00 0.00 42.92 41.75 1dcj s ASP 3 CO 0.67 -0.92 1.27 0.18 1.18 0.00 0.00 175.17 177.55 1dcj n LEU 4 N 6.48 0.76 -0.73 1.23 4.77 -1.26 -3.89 117.00 124.37 1dcj n LEU 4 Ca -0.03 -0.20 0.03 0.00 -0.03 0.00 0.00 56.01 55.78 1dcj n LEU 4 Cb 0.47 -0.16 0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1dcj n LEU 4 CO 0.56 0.18 0.49 0.49 -1.33 0.00 0.00 177.39 177.77 1dcj n PHE 5 N -1.35 0.50 -0.74 -1.77 3.01 -1.26 -4.86 117.46 110.99 1dcj n PHE 5 Ca 0.06 -0.19 -0.22 0.00 1.01 0.00 0.00 57.45 58.11 1dcj n PHE 5 Cb 0.34 -0.14 0.08 0.00 -0.01 0.00 0.00 39.48 39.75 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 0.17 -2.66 -4.47 4.37 2.88 -1.25 -4.38 113.62 108.28 1dcj n SER 6 Ca 0.08 -0.14 -0.45 0.00 -1.33 0.00 0.00 58.87 57.03 1dcj n SER 6 Cb 0.40 -0.66 -0.10 0.00 -0.75 0.00 0.00 64.21 63.10 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 1.02 1.25 -4.57 -3.46 3.41 -1.26 -4.88 113.62 105.13 1dcj n SER 7 Ca 0.01 0.14 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 1dcj n SER 7 Cb 0.43 -1.15 0.15 0.00 -0.26 0.00 0.00 64.21 63.39 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 7.79 0.87 0.31 4.33 0.04 -1.26 -4.97 135.00 142.10 1dcj s PRO 8 Ca 1.19 0.11 0.17 0.00 0.04 0.00 0.00 61.00 62.51 1dcj s PRO 8 Cb -0.95 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 31.88 1dcj s PRO 8 CO 0.46 -2.35 1.46 -0.44 0.04 0.00 0.00 177.00 176.17 1dcj h ASP 9 N -1.60 0.00 -5.57 6.66 5.19 -1.64 -3.47 116.42 115.98 1dcj h ASP 9 Ca -0.48 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 55.66 1dcj h ASP 9 Cb 1.31 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.71 1dcj h ASP 9 CO 0.55 0.40 -0.35 -1.00 -3.12 0.00 0.00 179.24 175.72 1dcj s HIS 10 N -3.01 1.10 0.09 4.55 3.76 -0.35 -4.96 115.29 116.47 1dcj s HIS 10 Ca 0.04 -1.29 -0.06 0.00 -0.15 0.00 0.00 55.06 53.60 1dcj s HIS 10 Cb 0.07 -0.29 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 1dcj s HIS 10 CO 0.73 -0.93 0.14 0.99 -0.85 0.00 0.00 174.74 174.83 1dcj s THR 11 N -3.60 0.15 -0.14 1.30 2.01 -1.26 -1.23 115.64 112.87 1dcj s THR 11 Ca 0.33 -1.40 -0.07 0.00 0.31 0.00 0.00 61.69 60.87 1dcj s THR 11 Cb 0.02 -1.49 0.06 0.00 0.01 0.00 0.00 72.50 71.10 1dcj s THR 11 CO 0.18 -0.68 0.33 -0.22 -0.69 0.00 0.00 174.62 173.54 1dcj s LEU 12 N -2.90 0.08 -0.10 4.42 2.96 0.15 -4.86 118.68 118.44 1dcj s LEU 12 Ca 0.08 0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 54.60 1dcj s LEU 12 Cb 0.06 1.02 -0.05 0.00 0.50 0.00 0.00 46.19 47.72 1dcj s LEU 12 CO -0.09 -0.19 0.23 -0.62 -1.32 0.00 0.00 176.35 174.36 1dcj s ASP 13 N 1.50 6.49 0.00 3.68 -1.08 -1.26 -0.45 116.67 125.56 1dcj s ASP 13 Ca -0.08 0.59 0.03 0.00 -0.52 0.00 0.00 52.55 52.56 1dcj s ASP 13 Cb -0.10 -2.13 0.05 0.00 -1.46 0.00 0.00 42.92 39.28 1dcj s ASP 13 CO -0.11 0.34 0.95 0.00 0.52 0.00 0.00 175.17 176.87 1dcj n ALA 14 N 2.23 2.07 -2.63 3.66 0.00 0.24 -4.83 120.51 121.26 1dcj n ALA 14 Ca -0.17 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 51.84 1dcj n ALA 14 Cb 0.54 -0.45 -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 0.00 3.81 0.00 0.00 1.43 -1.26 -1.95 118.68 120.71 1dcj s LEU 15 Ca 0.04 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1dcj s LEU 15 Cb 0.04 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1dcj s LEU 15 CO -0.02 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 175.80 1dcj n GLY 16 N 5.13 0.57 3.92 -3.19 0.00 -1.26 -4.81 105.19 105.55 1dcj n GLY 16 Ca 0.04 0.00 -0.30 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 4.34 -0.00 0.99 1.43 -0.82 -5.00 118.68 119.62 1dcj s LEU 17 Ca 0.00 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1dcj s LEU 17 Cb 0.00 -2.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.22 1dcj s LEU 17 CO 0.00 0.12 0.10 0.00 0.23 0.00 0.00 176.35 176.80 1dcj s ARG 18 N -2.73 0.37 0.32 1.70 1.70 -1.26 -4.10 118.95 114.96 1dcj s ARG 18 Ca 0.36 -0.32 -0.26 0.00 -0.47 0.00 0.00 55.73 55.03 1dcj s ARG 18 Cb -0.12 0.15 -0.14 0.00 -0.57 0.00 0.00 34.95 34.27 1dcj s ARG 18 CO 0.28 -0.08 0.82 0.00 -1.08 0.00 0.00 175.30 175.24 1dcj n PRO 20 N 0.68 1.64 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.93 1dcj n PRO 20 Ca 0.11 -0.96 -0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1dcj n PRO 20 Cb 0.33 -1.40 0.09 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 2.00 0.23 0.42 0.54 5.08 -0.68 0.61 114.58 122.76 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 29.64 1dcj h GLU 21 CO 0.00 0.15 -0.20 -1.00 -1.00 0.00 0.00 179.01 176.96 1dcj h PRO 22 N 0.23 -0.54 -0.61 2.33 0.13 -1.87 -0.64 132.00 131.03 1dcj h PRO 22 Ca 0.29 0.04 0.18 0.00 -0.87 0.00 0.00 66.00 65.64 1dcj h PRO 22 Cb 0.43 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1dcj h PRO 22 CO -0.39 -0.36 0.68 0.28 -0.23 0.00 0.00 178.00 177.98 1dcj h VAL 23 N -0.90 0.25 -0.08 1.56 2.07 -1.87 0.52 116.25 117.80 1dcj h VAL 23 Ca -0.06 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.22 1dcj h VAL 23 Cb 0.43 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1dcj h VAL 23 CO 0.09 0.00 -0.89 0.24 0.02 0.00 0.00 177.57 177.03 1dcj h MET 24 N 0.00 0.72 0.28 1.57 2.86 0.77 -2.80 114.93 118.34 1dcj h MET 24 Ca 0.29 -0.67 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1dcj h MET 24 Cb 1.65 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1dcj h MET 24 CO -0.00 1.26 -0.14 0.52 1.06 0.00 0.00 176.91 179.61 1dcj h MET 25 N 0.46 -0.37 -0.39 1.72 2.86 0.16 -0.98 114.93 118.39 1dcj h MET 25 Ca -0.08 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1dcj h MET 25 Cb 1.53 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.26 1dcj h MET 25 CO 0.18 -0.19 0.34 0.28 1.06 0.00 0.00 176.91 178.57 1dcj h VAL 26 N -0.46 0.57 0.63 -2.22 2.07 -1.53 -0.90 116.25 114.41 1dcj h VAL 26 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1dcj h VAL 26 Cb 0.35 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1dcj h VAL 26 CO 0.06 0.00 -0.30 0.03 0.02 0.00 0.00 177.57 177.38 1dcj h ARG 27 N 0.00 -0.82 -0.44 1.57 2.47 -0.91 0.64 114.38 116.90 1dcj h ARG 27 Ca 0.19 0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.98 1dcj h ARG 27 Cb 0.86 0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.34 1dcj h ARG 27 CO -0.00 -0.50 0.26 0.87 0.56 0.00 0.00 179.97 181.16 1dcj h LYS 28 N -1.04 0.52 -0.43 0.04 1.79 -0.88 0.44 116.57 117.00 1dcj h LYS 28 Ca -0.09 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1dcj h LYS 28 Cb 0.70 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1dcj h LYS 28 CO 0.14 0.34 0.21 1.15 -1.08 0.00 0.00 179.45 180.21 1dcj h THR 29 N 0.53 1.15 0.00 -0.16 2.02 -1.17 0.37 112.91 115.65 1dcj h THR 29 Ca 0.17 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 1dcj h THR 29 Cb -0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1dcj h THR 29 CO -0.07 0.17 -0.44 0.58 0.37 0.00 0.00 175.52 176.12 1dcj h VAL 30 N 0.60 1.28 0.00 3.16 2.07 0.23 0.72 116.25 124.32 1dcj h VAL 30 Ca 0.15 -1.54 -0.15 0.00 0.82 0.00 0.00 66.70 65.98 1dcj h VAL 30 Cb 0.06 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1dcj h VAL 30 CO -0.02 0.44 -0.71 0.03 0.02 0.00 0.00 177.57 177.32 1dcj h ARG 31 N 0.00 0.00 -0.35 1.57 3.08 0.36 -3.06 114.38 115.98 1dcj h ARG 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dcj h ARG 31 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1dcj h ARG 31 CO 0.06 0.71 0.00 0.27 -1.07 0.00 0.00 179.97 179.94 1dcj n ASN 32 N -3.61 3.18 -4.70 7.04 0.23 0.44 -4.97 115.26 112.87 1dcj n ASN 32 Ca -0.01 -1.92 -0.23 0.00 -0.53 0.00 0.00 54.58 51.90 1dcj n ASN 32 Cb 0.71 -0.23 0.11 0.00 -2.08 0.00 0.00 39.78 38.30 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 -1.27 1.65 0.07 -3.83 -1.94 0.24 -5.03 119.30 109.19 1dcj s MET 33 Ca 0.33 -1.31 0.03 0.00 -1.71 0.00 0.00 55.69 53.02 1dcj s MET 33 Cb 0.19 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 1dcj s MET 33 CO 0.26 -1.46 -0.09 -0.65 -0.01 0.00 0.00 175.02 173.07 1dcj s GLN 34 N -5.10 0.71 -0.05 2.03 -0.21 -1.26 -4.97 119.66 110.80 1dcj s GLN 34 Ca 0.67 -1.02 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 1dcj s GLN 34 Cb -0.04 -0.39 -0.05 0.00 1.00 0.00 0.00 33.01 33.53 1dcj s GLN 34 CO 0.44 0.06 1.50 -1.25 -2.12 0.00 0.00 175.29 173.91 1dcj s PRO 35 N -2.43 4.22 0.00 2.91 0.04 -1.18 -2.37 135.00 136.19 1dcj s PRO 35 Ca -0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1dcj s PRO 35 Cb -0.05 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1dcj s PRO 35 CO -0.01 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1dcj n GLY 36 N 3.87 1.16 2.30 0.56 0.00 0.10 -4.91 105.19 108.27 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 -1.62 1.11 -4.10 1.61 1.02 -1.00 -4.97 120.64 112.69 1dcj n GLU 37 Ca 0.00 -2.21 -0.10 0.00 -0.02 0.00 0.00 57.16 54.83 1dcj n GLU 37 Cb 0.00 0.42 -0.11 0.00 -0.02 0.00 0.00 31.44 31.73 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 -1.91 0.49 -0.14 2.62 -4.23 -1.26 -1.85 115.64 109.35 1dcj s THR 38 Ca 0.10 -1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1dcj s THR 38 Cb -0.01 -1.17 0.07 0.00 1.34 0.00 0.00 72.50 72.73 1dcj s THR 38 CO 0.06 -0.71 0.22 -0.22 -0.54 0.00 0.00 174.62 173.42 1dcj s LEU 39 N -2.41 -0.16 0.25 4.79 2.96 -0.91 -1.21 118.68 121.99 1dcj s LEU 39 Ca 0.01 0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.98 1dcj s LEU 39 Cb -0.00 0.45 -0.08 0.00 0.50 0.00 0.00 46.19 47.06 1dcj s LEU 39 CO -0.04 -0.27 0.69 -0.22 -1.32 0.00 0.00 176.35 175.19 1dcj s LEU 40 N 2.35 4.22 0.04 -0.68 2.96 -0.37 -0.90 118.68 126.31 1dcj s LEU 40 Ca 0.04 1.27 -0.02 0.00 -0.22 0.00 0.00 54.13 55.20 1dcj s LEU 40 Cb -0.13 -3.73 -0.03 0.00 0.50 0.00 0.00 46.19 42.80 1dcj s LEU 40 CO -0.09 -0.05 0.02 -0.63 -1.32 0.00 0.00 176.35 174.27 1dcj s ILE 41 N -1.71 0.17 0.21 6.68 1.01 -0.82 0.34 121.20 127.08 1dcj s ILE 41 Ca 0.47 -1.37 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1dcj s ILE 41 Cb -0.14 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1dcj s ILE 41 CO 0.19 -0.76 -0.04 -0.63 0.00 0.00 0.00 174.94 173.70 1dcj s ILE 42 N -3.00 1.17 -0.29 2.92 1.01 0.41 -1.23 121.20 122.19 1dcj s ILE 42 Ca -0.02 -2.06 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 1dcj s ILE 42 Cb 0.01 -2.19 0.12 0.00 0.01 0.00 0.00 42.46 40.40 1dcj s ILE 42 CO -0.07 -0.46 0.82 0.00 0.00 0.00 0.00 174.94 175.24 1dcj s ALA 43 N -3.33 -2.10 -0.10 9.38 0.00 0.65 -0.59 121.76 125.68 1dcj s ALA 43 Ca 0.25 2.31 0.16 0.00 0.00 0.00 0.00 51.96 54.68 1dcj s ALA 43 Cb 0.04 -1.61 -0.24 0.00 0.00 0.00 0.00 23.12 21.31 1dcj s ALA 43 CO 0.07 -0.44 0.22 -0.40 0.00 0.00 0.00 175.76 175.20 1dcj n ASP 44 N 4.20 0.90 -4.77 0.00 5.68 -0.89 -0.25 116.55 121.41 1dcj n ASP 44 Ca -0.18 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.71 1dcj n ASP 44 Cb 0.57 1.35 0.00 0.00 -1.14 0.00 0.00 41.12 41.91 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 -4.57 6.19 0.41 -1.12 2.15 -1.23 -4.87 116.67 113.63 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 -2.66 0.69 0.00 -0.30 0.00 0.00 42.92 40.73 1dcj s ASP 45 CO 0.71 -0.96 1.73 1.55 -0.17 0.00 0.00 175.17 178.03 1dcj h PRO 46 N 2.71 0.00 -0.01 4.34 0.13 -1.91 -3.03 132.00 134.24 1dcj h PRO 46 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.63 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -2.02 2.83 0.03 -0.56 0.00 -1.26 -3.99 120.51 115.53 1dcj n ALA 47 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1dcj n ALA 47 Cb 0.45 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 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 1.58 0.85 -0.51 0.00 1.35 -1.86 -0.79 112.91 113.53 1dcj h THR 48 Ca 0.00 -2.42 0.11 0.00 -0.55 0.00 0.00 66.41 63.55 1dcj h THR 48 Cb 0.48 2.65 -0.03 0.00 -1.73 0.00 0.00 68.15 69.51 1dcj h THR 48 CO 0.00 0.82 0.35 0.71 -0.25 0.00 0.00 175.52 177.15 1dcj h THR 49 N -0.03 0.85 0.04 6.82 1.35 -1.70 0.77 112.91 121.01 1dcj h THR 49 Ca -0.36 -0.08 -0.37 0.00 -0.55 0.00 0.00 66.41 65.04 1dcj h THR 49 Cb 1.98 0.60 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 1dcj h THR 49 CO 0.11 0.04 -2.26 0.54 -0.25 0.00 0.00 175.52 173.70 1dcj n ARG 50 N -4.45 0.69 -0.05 4.72 1.74 -1.25 -4.43 116.66 113.62 1dcj n ARG 50 Ca 0.08 0.17 -0.21 0.00 -0.77 0.00 0.00 57.85 57.13 1dcj n ARG 50 Cb 0.42 -1.60 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.17 -0.42 0.55 3.32 -0.88 -2.93 116.42 116.24 1dcj h ASP 51 Ca -0.51 -0.73 0.08 0.00 0.02 0.00 0.00 57.03 55.90 1dcj h ASP 51 Cb 2.00 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 41.42 1dcj h ASP 51 CO -0.01 1.51 -0.10 0.40 -1.72 0.00 0.00 179.24 179.33 1dcj h ILE 52 N -0.66 0.59 0.00 0.35 2.04 -1.00 0.64 117.51 119.47 1dcj h ILE 52 Ca -0.30 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1dcj h ILE 52 Cb 1.49 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1dcj h ILE 52 CO -0.07 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.63 1dcj h PRO 53 N 0.01 -0.01 -0.55 2.37 0.13 -1.75 -2.40 132.00 129.80 1dcj h PRO 53 Ca 0.20 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.50 1dcj h PRO 53 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 1dcj h PRO 53 CO -0.43 0.60 0.68 0.78 -0.23 0.00 0.00 178.00 179.40 1dcj h GLY 54 N -0.61 0.00 0.18 1.56 0.00 -1.27 0.21 103.07 103.13 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 -0.04 -2.75 0.00 0.00 0.00 176.54 173.75 1dcj h PHE 55 N 0.00 -0.11 -0.92 5.60 3.57 -0.46 -2.73 116.94 121.89 1dcj h PHE 55 Ca 0.26 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.92 1dcj h PHE 55 Cb 1.62 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 40.32 1dcj h PHE 55 CO 0.00 0.35 0.59 0.00 -2.23 0.00 0.00 178.31 177.02 1dcj h THR 57 N 0.67 1.26 0.00 0.00 2.02 -1.19 0.31 112.91 115.97 1dcj h THR 57 Ca 0.48 -1.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 1dcj h THR 57 Cb 0.83 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1dcj h THR 57 CO -0.23 0.38 -0.53 0.15 0.37 0.00 0.00 175.52 175.66 1dcj h PHE 58 N 0.29 0.00 -0.24 3.16 3.04 -0.19 -3.02 116.94 119.98 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 0.65 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1dcj h PHE 58 CO 0.01 0.53 0.00 -1.33 -2.02 0.00 0.00 178.31 175.50 1dcj n MET 59 N -3.78 1.89 -0.92 1.11 2.81 -0.84 -4.89 117.12 112.49 1dcj n MET 59 Ca -0.01 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.54 1dcj n MET 59 Cb 0.56 -1.40 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 -0.85 1.51 0.00 0.00 175.97 176.63 1dcj n GLU 60 N 0.57 0.00 -2.82 0.03 0.28 -1.14 -4.96 120.64 112.60 1dcj n GLU 60 Ca 0.16 0.27 -0.20 0.00 -0.16 0.00 0.00 57.16 57.22 1dcj n GLU 60 Cb 0.37 -2.80 0.05 0.00 1.43 0.00 0.00 31.44 30.49 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1dcj s HIS 61 N -2.00 2.14 0.03 -1.84 3.76 0.08 -2.95 115.29 114.50 1dcj s HIS 61 Ca 0.00 -0.36 0.07 0.00 -0.15 0.00 0.00 55.06 54.62 1dcj s HIS 61 Cb 0.00 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.09 1dcj s HIS 61 CO 0.00 -1.05 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.41 1dcj s GLU 62 N -4.74 1.53 -0.63 1.40 2.02 -0.54 -4.34 118.70 113.41 1dcj s GLU 62 Ca 0.60 -0.93 -0.24 0.00 0.02 0.00 0.00 54.97 54.42 1dcj s GLU 62 Cb -0.08 -1.62 0.05 0.00 0.10 0.00 0.00 34.13 32.59 1dcj s GLU 62 CO 0.39 0.42 1.00 -1.17 0.02 0.00 0.00 175.26 175.91 1dcj s LEU 63 N -1.05 4.11 -0.02 1.80 2.96 -1.26 0.28 118.68 125.51 1dcj s LEU 63 Ca 0.08 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 53.09 1dcj s LEU 63 Cb -0.09 -2.61 -0.20 0.00 0.50 0.00 0.00 46.19 43.80 1dcj s LEU 63 CO 0.01 -1.41 1.20 0.58 -1.32 0.00 0.00 176.35 175.42 1dcj h VAL 64 N 6.00 1.44 -2.99 1.68 2.07 -0.56 -3.46 116.25 120.44 1dcj h VAL 64 Ca -0.28 -1.47 -0.19 0.00 0.82 0.00 0.00 66.70 65.59 1dcj h VAL 64 Cb 1.07 2.30 -0.29 0.00 -1.52 0.00 0.00 31.29 32.85 1dcj h VAL 64 CO 1.16 0.40 -0.47 0.00 0.02 0.00 0.00 177.57 178.68 1dcj s ALA 65 N -3.86 -0.61 0.29 1.67 0.00 -1.16 -4.90 121.76 113.19 1dcj s ALA 65 Ca -0.16 1.05 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1dcj s ALA 65 Cb 0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1dcj s ALA 65 CO 0.72 -0.21 0.43 0.15 0.00 0.00 0.00 175.76 176.85 1dcj s LYS 66 N 1.29 3.34 -0.15 0.00 3.01 -1.26 0.81 119.74 126.78 1dcj s LYS 66 Ca -0.09 -0.75 -0.04 0.00 -1.01 0.00 0.00 55.97 54.07 1dcj s LYS 66 Cb -0.10 -2.82 0.05 0.00 -1.01 0.00 0.00 37.83 33.95 1dcj s LYS 66 CO -0.09 0.26 0.07 -1.21 0.51 0.00 0.00 175.35 174.89 1dcj s GLU 67 N -4.11 0.16 -0.09 1.68 0.41 0.51 -4.88 118.70 112.38 1dcj s GLU 67 Ca 0.38 -0.07 0.23 0.00 -0.41 0.00 0.00 54.97 55.11 1dcj s GLU 67 Cb -0.09 -1.66 0.45 0.00 -1.78 0.00 0.00 34.13 31.04 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 5.24 0.59 1.99 3.63 -2.24 -1.26 -1.51 114.28 120.73 1dcj n THR 68 Ca -0.07 -1.75 0.07 0.00 -2.27 0.00 0.00 64.05 60.02 1dcj n THR 68 Cb 0.49 0.85 0.39 0.00 -2.10 0.00 0.00 70.33 69.95 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 0.05 0.02 0.00 3.42 9.92 -1.26 -4.85 116.55 123.85 1dcj n ASP 69 Ca 0.09 -1.59 0.00 0.00 -0.53 0.00 0.00 54.79 52.76 1dcj n ASP 69 Cb 1.02 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.50 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 3.93 2.66 0.44 0.00 -1.26 -5.09 105.19 106.57 1dcj n GLY 70 Ca 0.10 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.42 -4.81 0.99 4.77 -1.26 -4.45 117.00 109.82 1dcj n LEU 71 Ca 0.00 0.64 -0.35 0.00 -0.03 0.00 0.00 56.01 56.27 1dcj n LEU 71 Cb 0.00 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.31 1dcj n LEU 71 CO 0.00 -3.47 0.60 -2.16 -1.33 0.00 0.00 177.39 171.03 1dcj s PRO 72 N -0.81 4.32 0.78 3.23 0.04 -1.26 -5.13 135.00 136.18 1dcj s PRO 72 Ca 0.48 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1dcj s PRO 72 Cb -0.50 -2.48 0.06 0.00 0.04 0.00 0.00 34.50 31.62 1dcj s PRO 72 CO 0.51 0.14 1.09 0.71 0.04 0.00 0.00 177.00 179.48 1dcj s TYR 73 N -1.91 2.65 0.02 0.56 2.02 0.65 -4.71 117.35 116.63 1dcj s TYR 73 Ca 0.55 1.46 -0.08 0.00 -0.37 0.00 0.00 57.07 58.63 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 0.18 -1.79 0.15 1.03 -1.57 0.00 0.00 175.55 173.54 1dcj s ARG 74 N -4.95 0.57 -0.18 -0.62 0.52 -0.57 -0.25 118.95 113.47 1dcj s ARG 74 Ca 0.61 -0.53 -0.08 0.00 -0.52 0.00 0.00 55.73 55.21 1dcj s ARG 74 Cb -0.17 0.23 0.07 0.00 0.52 0.00 0.00 34.95 35.61 1dcj s ARG 74 CO 0.56 -0.15 0.40 0.71 0.02 0.00 0.00 175.30 176.84 1dcj s TYR 75 N -1.95 -0.66 0.31 -0.53 2.02 -0.37 0.19 117.35 116.35 1dcj s TYR 75 Ca -0.10 1.35 -0.11 0.00 -0.37 0.00 0.00 57.07 57.84 1dcj s TYR 75 Cb -0.04 0.25 -0.07 0.00 -0.40 0.00 0.00 41.96 41.70 1dcj s TYR 75 CO -0.01 -0.40 0.66 -1.17 -1.57 0.00 0.00 175.55 173.06 1dcj s LEU 76 N 1.98 4.05 -0.21 -1.29 2.96 0.24 -1.93 118.68 124.48 1dcj s LEU 76 Ca -0.05 1.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.87 1dcj s LEU 76 Cb -0.10 -3.86 0.09 0.00 0.50 0.00 0.00 46.19 42.82 1dcj s LEU 76 CO -0.12 -0.20 0.20 -0.63 -1.32 0.00 0.00 176.35 174.28 1dcj s ILE 77 N -2.03 -0.29 -0.36 6.68 1.01 -0.08 0.21 121.20 126.35 1dcj s ILE 77 Ca 0.50 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 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 0.23 -0.25 1.58 -0.60 0.00 0.00 0.00 174.94 175.90 1dcj s ARG 78 N 2.29 3.51 -0.38 2.79 3.52 0.14 -2.13 118.95 128.70 1dcj s ARG 78 Ca 0.06 1.21 -0.28 0.00 -0.13 0.00 0.00 55.73 56.59 1dcj s ARG 78 Cb -0.16 -4.09 -0.01 0.00 -1.56 0.00 0.00 34.95 29.13 1dcj s ARG 78 CO -0.13 -1.64 1.69 0.21 -0.81 0.00 0.00 175.30 174.61 1dcj s LYS 79 N 5.17 3.35 0.00 5.12 2.36 -0.77 -1.46 119.74 133.50 1dcj s LYS 79 Ca 0.69 1.21 0.00 0.00 -2.55 0.00 0.00 55.97 55.33 1dcj s LYS 79 Cb -0.18 -4.16 0.00 0.00 -1.05 0.00 0.00 37.83 32.43 1dcj s LYS 79 CO 0.33 -1.84 0.00 0.41 1.55 0.00 0.00 175.35 175.79 1dcj n GLY 80 N 5.35 2.13 0.00 5.54 0.00 -1.26 -0.72 105.19 116.22 1dcj n GLY 80 Ca 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93