#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 2.25 0.58 2.03 -1.32 -1.26 -4.97 115.64 112.96 1dcj s THR 2 Ca 0.00 0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.41 1dcj s THR 2 Cb 0.00 -2.23 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 1dcj s THR 2 CO 0.00 -0.10 1.04 -1.81 -2.21 0.00 0.00 174.62 171.54 1dcj s ASP 3 N -2.71 5.97 -0.24 8.08 1.11 -1.26 -4.99 116.67 122.63 1dcj s ASP 3 Ca 0.67 1.74 0.00 0.00 0.18 0.00 0.00 52.55 55.14 1dcj s ASP 3 Cb -0.23 -2.52 -0.18 0.00 1.07 0.00 0.00 42.92 41.06 1dcj s ASP 3 CO 0.56 -1.04 -0.16 0.18 1.18 0.00 0.00 175.17 175.90 1dcj n LEU 4 N -1.99 2.89 -0.76 1.23 4.77 -1.26 -4.23 117.00 117.66 1dcj n LEU 4 Ca 0.08 -0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.02 1dcj n LEU 4 Cb 0.53 -0.93 0.12 0.00 -2.33 0.00 0.00 43.42 40.81 1dcj n LEU 4 CO 0.48 0.91 0.51 0.49 -1.33 0.00 0.00 177.39 178.45 1dcj n PHE 5 N -3.33 0.54 -0.70 -1.77 3.01 -1.26 -4.81 117.46 109.14 1dcj n PHE 5 Ca -0.44 -0.21 -0.24 0.00 1.01 0.00 0.00 57.45 57.57 1dcj n PHE 5 Cb 0.99 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 40.42 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 0.21 -2.70 -4.46 4.37 7.64 -1.26 -4.39 113.62 113.03 1dcj n SER 6 Ca 0.09 -0.18 -0.45 0.00 1.01 0.00 0.00 58.87 59.33 1dcj n SER 6 Cb 0.42 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.38 1.33 -4.80 6.43 3.41 -1.26 -4.87 113.62 114.23 1dcj n SER 7 Ca 0.02 0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.51 1dcj n SER 7 Cb 0.46 -1.16 0.11 0.00 -0.26 0.00 0.00 64.21 63.36 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 7.61 1.63 0.28 4.33 0.04 -1.26 -4.97 135.00 142.65 1dcj s PRO 8 Ca 1.18 0.44 0.18 0.00 0.04 0.00 0.00 61.00 62.84 1dcj s PRO 8 Cb -0.94 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 31.80 1dcj s PRO 8 CO 0.47 -1.89 1.35 -0.44 0.04 0.00 0.00 177.00 176.53 1dcj h ASP 9 N -1.28 0.00 -5.55 6.66 5.19 -1.73 -3.47 116.42 116.24 1dcj h ASP 9 Ca -0.49 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 55.70 1dcj h ASP 9 Cb 1.30 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.68 1dcj h ASP 9 CO 0.61 0.36 -0.50 -1.00 -3.12 0.00 0.00 179.24 175.59 1dcj s HIS 10 N -3.05 1.05 0.10 4.55 3.76 -0.54 -4.98 115.29 116.19 1dcj s HIS 10 Ca 0.03 -1.27 -0.07 0.00 -0.15 0.00 0.00 55.06 53.60 1dcj s HIS 10 Cb 0.07 -0.41 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 1dcj s HIS 10 CO 0.74 -0.75 0.15 0.99 -0.85 0.00 0.00 174.74 175.03 1dcj s THR 11 N -4.03 0.14 -0.23 1.30 2.01 -1.26 -1.08 115.64 112.49 1dcj s THR 11 Ca 0.36 -1.39 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 1dcj s THR 11 Cb 0.05 -1.52 0.10 0.00 0.01 0.00 0.00 72.50 71.14 1dcj s THR 11 CO 0.13 -0.64 0.23 -0.22 -0.69 0.00 0.00 174.62 173.43 1dcj s LEU 12 N -2.91 -0.08 0.21 4.42 2.96 0.71 -4.88 118.68 119.11 1dcj s LEU 12 Ca 0.09 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.30 1dcj s LEU 12 Cb 0.05 0.35 -0.08 0.00 0.50 0.00 0.00 46.19 47.01 1dcj s LEU 12 CO -0.08 -0.35 1.12 -0.62 -1.32 0.00 0.00 176.35 175.10 1dcj s ASP 13 N 2.32 7.24 0.00 3.68 2.15 -1.26 -0.75 116.67 130.04 1dcj s ASP 13 Ca 0.08 2.17 0.00 0.00 0.43 0.00 0.00 52.55 55.23 1dcj s ASP 13 Cb -0.15 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1dcj s ASP 13 CO -0.18 -0.22 0.82 0.00 -0.17 0.00 0.00 175.17 175.42 1dcj n ALA 14 N 2.03 1.73 -2.54 3.66 0.00 0.16 -4.84 120.51 120.71 1dcj n ALA 14 Ca 0.02 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1dcj n ALA 14 Cb 0.45 -0.33 -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 3.48 0.00 0.00 1.43 -1.25 -1.52 118.68 120.82 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 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1dcj s LEU 15 CO 0.00 -1.47 0.00 0.61 0.23 0.00 0.00 176.35 175.72 1dcj n GLY 16 N 5.06 0.46 3.87 -3.19 0.00 -1.26 -4.83 105.19 105.29 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 -0.58 -4.98 118.68 119.80 1dcj s LEU 17 Ca 0.00 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 53.95 1dcj s LEU 17 Cb 0.00 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 1dcj s LEU 17 CO 0.00 0.03 0.09 0.00 0.23 0.00 0.00 176.35 176.70 1dcj s ARG 18 N -2.42 0.44 0.31 1.70 1.04 -1.26 -4.11 118.95 114.64 1dcj s ARG 18 Ca 0.42 -0.47 -0.26 0.00 -1.04 0.00 0.00 55.73 54.37 1dcj s ARG 18 Cb -0.13 0.17 -0.14 0.00 -2.04 0.00 0.00 34.95 32.82 1dcj s ARG 18 CO 0.21 -0.10 0.79 0.00 -0.04 0.00 0.00 175.30 176.15 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 -0.96 -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 32.48 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 0.24 0.36 0.54 5.08 -0.73 0.43 114.58 122.50 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 29.63 1dcj h GLU 21 CO 0.00 0.16 -0.17 -1.00 -1.00 0.00 0.00 179.01 177.00 1dcj h PRO 22 N 0.25 -0.46 -0.70 2.33 0.13 -1.87 -0.15 132.00 131.53 1dcj h PRO 22 Ca 0.29 0.03 0.20 0.00 -0.87 0.00 0.00 66.00 65.65 1dcj h PRO 22 Cb 0.41 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 1dcj h PRO 22 CO -0.37 -0.31 0.75 0.28 -0.23 0.00 0.00 178.00 178.12 1dcj h VAL 23 N -0.78 0.24 -0.04 1.56 2.07 -1.86 0.62 116.25 118.05 1dcj h VAL 23 Ca -0.05 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.23 1dcj h VAL 23 Cb 0.37 0.41 0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1dcj h VAL 23 CO 0.08 0.00 -0.91 0.24 0.02 0.00 0.00 177.57 177.00 1dcj h MET 24 N 0.00 0.70 -0.56 1.57 2.86 0.36 -2.83 114.93 117.02 1dcj h MET 24 Ca 0.33 -0.69 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 1dcj h MET 24 Cb 1.83 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 33.64 1dcj h MET 24 CO -0.00 1.28 0.24 0.52 1.06 0.00 0.00 176.91 180.01 1dcj h MET 25 N 0.37 0.83 0.00 1.72 2.86 0.21 -1.11 114.93 119.82 1dcj h MET 25 Ca -0.10 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1dcj h MET 25 Cb 1.57 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.08 1dcj h MET 25 CO 0.18 0.71 -0.14 0.28 1.06 0.00 0.00 176.91 179.00 1dcj h VAL 26 N 0.77 0.90 0.51 -2.22 2.07 -1.45 -0.67 116.25 116.16 1dcj h VAL 26 Ca 0.19 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1dcj h VAL 26 Cb 0.17 1.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1dcj h VAL 26 CO -0.02 0.13 -0.25 0.03 0.02 0.00 0.00 177.57 177.49 1dcj h ARG 27 N 0.00 -0.66 -1.00 1.57 2.47 -0.96 0.67 114.38 116.47 1dcj h ARG 27 Ca -0.00 0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1dcj h ARG 27 Cb 0.27 0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.69 1dcj h ARG 27 CO 0.02 -0.36 0.66 0.87 0.56 0.00 0.00 179.97 181.73 1dcj h LYS 28 N -1.00 1.30 -0.33 0.04 1.57 -1.21 0.42 116.57 117.36 1dcj h LYS 28 Ca -0.07 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 1dcj h LYS 28 Cb 0.61 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1dcj h LYS 28 CO 0.12 0.86 -0.13 1.15 -0.57 0.00 0.00 179.45 180.88 1dcj h THR 29 N 1.34 1.24 0.00 -0.16 2.02 -1.07 0.15 112.91 116.43 1dcj h THR 29 Ca 0.37 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 1dcj h THR 29 Cb -0.12 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1dcj h THR 29 CO -0.09 0.36 -0.38 0.58 0.37 0.00 0.00 175.52 176.35 1dcj h VAL 30 N 0.53 1.18 0.00 3.16 2.07 0.28 0.68 116.25 124.15 1dcj h VAL 30 Ca 0.09 -1.36 -0.18 0.00 0.82 0.00 0.00 66.70 66.08 1dcj h VAL 30 Cb 0.53 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1dcj h VAL 30 CO 0.03 0.38 -0.85 0.03 0.02 0.00 0.00 177.57 177.18 1dcj h ARG 31 N 0.00 0.03 -0.53 1.57 3.08 0.16 -3.06 114.38 115.63 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 0.86 0.00 0.27 -1.07 0.00 0.00 179.97 180.08 1dcj n ASN 32 N -3.56 3.63 -4.99 7.04 0.23 0.32 -4.95 115.26 112.99 1dcj n ASN 32 Ca -0.01 -1.99 -0.19 0.00 -0.53 0.00 0.00 54.58 51.86 1dcj n ASN 32 Cb 0.80 -0.35 0.02 0.00 -2.08 0.00 0.00 39.78 38.18 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 -1.24 2.72 0.12 -3.83 -1.94 0.23 -5.02 119.30 110.33 1dcj s MET 33 Ca 0.42 -0.96 0.07 0.00 -1.71 0.00 0.00 55.69 53.50 1dcj s MET 33 Cb 0.23 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 1dcj s MET 33 CO 0.31 -0.46 -0.16 -0.65 -0.01 0.00 0.00 175.02 174.05 1dcj s GLN 34 N -4.55 1.06 -0.04 2.03 -0.21 -1.26 -4.96 119.66 111.72 1dcj s GLN 34 Ca 0.55 -1.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 1dcj s GLN 34 Cb -0.10 -1.07 -0.05 0.00 1.00 0.00 0.00 33.01 32.79 1dcj s GLN 34 CO 0.36 0.22 1.41 -1.25 -2.12 0.00 0.00 175.29 173.92 1dcj s PRO 35 N -2.37 4.26 0.00 2.91 0.04 -1.26 -2.47 135.00 136.10 1dcj s PRO 35 Ca 0.08 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1dcj s PRO 35 Cb -0.07 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1dcj s PRO 35 CO 0.04 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1dcj n GLY 36 N 3.72 1.26 2.11 0.56 0.00 0.19 -4.94 105.19 108.09 1dcj n GLY 36 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.48 1.24 -4.12 1.61 4.71 -1.03 -4.97 120.64 116.59 1dcj n GLU 37 Ca 0.00 -2.16 -0.10 0.00 -0.01 0.00 0.00 57.16 54.89 1dcj n GLU 37 Cb 0.00 0.62 -0.10 0.00 -1.01 0.00 0.00 31.44 30.95 1dcj n GLU 37 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1dcj s THR 38 N -2.10 0.52 -0.13 2.62 -4.23 -1.26 -1.44 115.64 109.61 1dcj s THR 38 Ca 0.01 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1dcj s THR 38 Cb 0.00 -1.33 0.06 0.00 1.34 0.00 0.00 72.50 72.58 1dcj s THR 38 CO 0.01 -0.77 0.19 -0.22 -0.54 0.00 0.00 174.62 173.28 1dcj s LEU 39 N -2.60 -0.09 0.13 4.79 2.96 -0.85 -1.46 118.68 121.55 1dcj s LEU 39 Ca 0.04 0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 1dcj s LEU 39 Cb 0.02 0.33 -0.07 0.00 0.50 0.00 0.00 46.19 46.96 1dcj s LEU 39 CO -0.05 -0.27 0.63 -0.22 -1.32 0.00 0.00 176.35 175.12 1dcj s LEU 40 N 2.31 4.48 -0.01 -0.68 2.96 -0.24 -0.86 118.68 126.64 1dcj s LEU 40 Ca 0.04 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 1dcj s LEU 40 Cb -0.13 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.42 1dcj s LEU 40 CO -0.08 0.20 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.46 1dcj s ILE 41 N -1.24 0.49 0.20 6.68 1.01 -0.78 -0.21 121.20 127.35 1dcj s ILE 41 Ca 0.34 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.85 1dcj s ILE 41 Cb -0.19 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1dcj s ILE 41 CO 0.21 0.16 -0.05 -0.63 0.00 0.00 0.00 174.94 174.62 1dcj s ILE 42 N 0.11 3.40 -0.29 2.92 1.01 0.07 -1.02 121.20 127.40 1dcj s ILE 42 Ca -0.01 -1.64 -0.15 0.00 0.00 0.00 0.00 60.65 58.85 1dcj s ILE 42 Cb -0.05 -2.72 0.11 0.00 0.01 0.00 0.00 42.46 39.81 1dcj s ILE 42 CO -0.00 -0.16 0.75 0.00 0.00 0.00 0.00 174.94 175.53 1dcj s ALA 43 N -1.84 -2.04 -0.10 9.38 0.00 -0.15 0.39 121.76 127.41 1dcj s ALA 43 Ca 0.27 2.35 0.18 0.00 0.00 0.00 0.00 51.96 54.76 1dcj s ALA 43 Cb -0.08 -1.59 -0.27 0.00 0.00 0.00 0.00 23.12 21.18 1dcj s ALA 43 CO 0.17 -0.52 0.26 -0.40 0.00 0.00 0.00 175.76 175.27 1dcj n ASP 44 N 4.47 0.49 -4.77 0.00 5.68 -1.03 -0.38 116.55 121.01 1dcj n ASP 44 Ca -0.17 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.71 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 -4.73 6.10 0.43 -1.12 2.15 -1.23 -4.87 116.67 113.41 1dcj s ASP 45 Ca -0.08 2.98 0.25 0.00 0.43 0.00 0.00 52.55 56.13 1dcj s ASP 45 Cb 0.09 -2.66 0.59 0.00 -0.30 0.00 0.00 42.92 40.64 1dcj s ASP 45 CO 0.79 -1.03 1.70 1.55 -0.17 0.00 0.00 175.17 178.01 1dcj h PRO 46 N 2.65 0.00 -0.01 4.34 0.13 -1.90 -3.06 132.00 134.15 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 0.63 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.29 1dcj n ALA 47 N -2.06 2.78 0.03 -0.56 0.00 -1.26 -3.88 120.51 115.56 1dcj n ALA 47 Ca 0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 1dcj n ALA 47 Cb 0.47 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 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 1.21 0.77 -0.41 0.00 1.35 -1.86 -0.73 112.91 113.24 1dcj h THR 48 Ca 0.00 -2.40 0.08 0.00 -0.55 0.00 0.00 66.41 63.54 1dcj h THR 48 Cb 0.40 2.60 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 1dcj h THR 48 CO 0.00 0.85 0.28 0.71 -0.25 0.00 0.00 175.52 177.12 1dcj h THR 49 N 0.02 0.90 0.03 6.82 1.35 -1.69 0.62 112.91 120.95 1dcj h THR 49 Ca -0.39 -0.07 -0.37 0.00 -0.55 0.00 0.00 66.41 65.03 1dcj h THR 49 Cb 2.01 0.68 -0.06 0.00 -1.73 0.00 0.00 68.15 69.05 1dcj h THR 49 CO 0.11 0.04 -2.30 0.54 -0.25 0.00 0.00 175.52 173.65 1dcj n ARG 50 N -4.46 0.68 -0.04 4.72 1.74 -1.25 -4.44 116.66 113.61 1dcj n ARG 50 Ca 0.06 0.16 -0.21 0.00 -0.77 0.00 0.00 57.85 57.08 1dcj n ARG 50 Cb 0.33 -1.58 -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 0.22 -0.14 0.55 3.32 -0.91 -2.76 116.42 116.72 1dcj h ASP 51 Ca -0.52 -0.75 0.04 0.00 0.02 0.00 0.00 57.03 55.83 1dcj h ASP 51 Cb 2.00 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 41.43 1dcj h ASP 51 CO -0.02 1.59 -0.17 0.40 -1.72 0.00 0.00 179.24 179.33 1dcj h ILE 52 N -0.53 0.56 0.00 0.35 2.04 -1.01 0.80 117.51 119.71 1dcj h ILE 52 Ca -0.33 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1dcj h ILE 52 Cb 1.60 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1dcj h ILE 52 CO -0.04 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.66 1dcj h PRO 53 N -0.21 -0.00 -0.52 2.37 0.13 -1.76 -2.40 132.00 129.61 1dcj h PRO 53 Ca 0.10 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.38 1dcj h PRO 53 Cb 0.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1dcj h PRO 53 CO -0.26 0.58 0.65 0.78 -0.23 0.00 0.00 178.00 179.52 1dcj h GLY 54 N -0.58 0.00 0.20 1.56 0.00 -1.29 0.24 103.07 103.20 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 -0.03 -2.75 0.00 0.00 0.00 176.54 173.76 1dcj h PHE 55 N 0.00 -0.09 -0.93 5.60 3.57 -0.39 -2.85 116.94 121.85 1dcj h PHE 55 Ca 0.25 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1dcj h PHE 55 Cb 1.55 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.26 1dcj h PHE 55 CO 0.00 0.47 0.61 0.00 -2.23 0.00 0.00 178.31 177.16 1dcj h THR 57 N 1.11 1.22 0.00 0.00 2.02 -1.15 0.06 112.91 116.16 1dcj h THR 57 Ca 0.39 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 1dcj h THR 57 Cb 0.13 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1dcj h THR 57 CO -0.14 0.31 -0.17 0.15 0.37 0.00 0.00 175.52 176.05 1dcj h PHE 58 N 0.39 0.00 -0.57 3.16 3.04 -1.00 -3.20 116.94 118.77 1dcj h PHE 58 Ca 0.07 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1dcj h PHE 58 Cb 0.47 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1dcj h PHE 58 CO 0.01 0.17 0.00 -1.33 -2.02 0.00 0.00 178.31 175.14 1dcj n MET 59 N -3.17 3.37 -2.04 1.11 2.81 -0.71 -4.90 117.12 113.59 1dcj n MET 59 Ca 0.03 -2.49 -0.05 0.00 -1.81 0.00 0.00 57.70 53.37 1dcj n MET 59 Cb 0.56 -1.81 -0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1dcj n MET 59 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1dcj n GLU 60 N 0.98 -0.43 -2.84 0.03 -0.58 -1.16 -4.85 120.64 111.79 1dcj n GLU 60 Ca 0.23 0.29 -0.20 0.00 -0.42 0.00 0.00 57.16 57.06 1dcj n GLU 60 Cb 0.79 -4.09 0.05 0.00 -0.57 0.00 0.00 31.44 27.63 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1dcj s HIS 61 N -2.26 2.12 -0.05 -0.32 3.76 -0.03 -2.62 115.29 115.88 1dcj s HIS 61 Ca 0.00 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1dcj s HIS 61 Cb 0.00 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.13 1dcj s HIS 61 CO 0.00 -1.03 -0.25 -1.21 -0.85 0.00 0.00 174.74 171.40 1dcj s GLU 62 N -4.71 2.42 -0.66 1.40 0.41 -0.74 -4.53 118.70 112.29 1dcj s GLU 62 Ca 0.60 -0.91 -0.24 0.00 -0.41 0.00 0.00 54.97 54.01 1dcj s GLU 62 Cb -0.08 -2.13 0.05 0.00 -1.78 0.00 0.00 34.13 30.20 1dcj s GLU 62 CO 0.39 0.44 1.05 -1.17 -0.49 0.00 0.00 175.26 175.47 1dcj s LEU 63 N -0.31 3.99 -0.06 1.80 2.96 -1.26 0.65 118.68 126.45 1dcj s LEU 63 Ca 0.01 -0.69 -0.24 0.00 -0.22 0.00 0.00 54.13 52.98 1dcj s LEU 63 Cb -0.13 -2.56 -0.20 0.00 0.50 0.00 0.00 46.19 43.81 1dcj s LEU 63 CO 0.02 -1.50 0.98 0.58 -1.32 0.00 0.00 176.35 175.11 1dcj h VAL 64 N 6.00 1.27 -3.05 1.68 2.07 -0.89 -3.46 116.25 119.87 1dcj h VAL 64 Ca -0.28 -1.43 -0.20 0.00 0.82 0.00 0.00 66.70 65.61 1dcj h VAL 64 Cb 1.07 2.16 -0.30 0.00 -1.52 0.00 0.00 31.29 32.70 1dcj h VAL 64 CO 1.19 0.34 -0.49 0.00 0.02 0.00 0.00 177.57 178.62 1dcj s ALA 65 N -3.53 -0.53 0.25 1.67 0.00 -1.16 -4.91 121.76 113.54 1dcj s ALA 65 Ca -0.15 0.96 0.05 0.00 0.00 0.00 0.00 51.96 52.82 1dcj s ALA 65 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1dcj s ALA 65 CO 0.59 -0.19 0.37 0.15 0.00 0.00 0.00 175.76 176.69 1dcj s LYS 66 N 1.21 3.42 -0.16 0.00 3.01 -1.26 0.64 119.74 126.59 1dcj s LYS 66 Ca -0.09 -0.77 -0.04 0.00 -1.01 0.00 0.00 55.97 54.07 1dcj s LYS 66 Cb -0.10 -2.88 0.05 0.00 -1.01 0.00 0.00 37.83 33.90 1dcj s LYS 66 CO -0.08 0.39 0.07 -1.21 0.51 0.00 0.00 175.35 175.03 1dcj s GLU 67 N -4.00 0.24 -0.09 1.68 2.02 0.54 -4.89 118.70 114.19 1dcj s GLU 67 Ca 0.35 -0.11 0.24 0.00 0.02 0.00 0.00 54.97 55.47 1dcj s GLU 67 Cb -0.09 -1.71 0.45 0.00 0.10 0.00 0.00 34.13 32.88 1dcj s GLU 67 CO 0.29 -0.60 1.16 0.25 0.02 0.00 0.00 175.26 176.38 1dcj n THR 68 N 5.21 0.53 1.90 3.63 -2.24 -1.26 -1.51 114.28 120.54 1dcj n THR 68 Ca -0.07 -1.72 0.07 0.00 -2.27 0.00 0.00 64.05 60.06 1dcj n THR 68 Cb 0.49 0.95 0.43 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.08 0.00 0.00 3.42 8.00 -1.26 -4.85 116.55 121.94 1dcj n ASP 69 Ca 0.08 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1dcj n ASP 69 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 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 0.66 3.98 2.57 0.44 0.00 -1.26 -5.09 105.19 106.50 1dcj n GLY 70 Ca 0.11 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.09 -4.82 0.99 4.77 -1.26 -4.45 117.00 110.14 1dcj n LEU 71 Ca 0.00 0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 56.30 1dcj n LEU 71 Cb 0.00 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1dcj n LEU 71 CO 0.00 -3.15 0.58 -2.16 -1.33 0.00 0.00 177.39 171.33 1dcj s PRO 72 N -0.78 4.24 0.82 3.23 0.04 -1.26 -5.13 135.00 136.16 1dcj s PRO 72 Ca 0.46 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1dcj s PRO 72 Cb -0.52 -2.38 0.08 0.00 0.04 0.00 0.00 34.50 31.72 1dcj s PRO 72 CO 0.48 0.09 1.10 0.71 0.04 0.00 0.00 177.00 179.42 1dcj s TYR 73 N -2.00 2.71 0.01 0.56 2.02 0.48 -4.77 117.35 116.37 1dcj s TYR 73 Ca 0.57 1.16 -0.13 0.00 -0.37 0.00 0.00 57.07 58.31 1dcj s TYR 73 Cb -0.11 -3.14 0.02 0.00 -0.40 0.00 0.00 41.96 38.32 1dcj s TYR 73 CO 0.16 -1.93 0.27 1.03 -1.57 0.00 0.00 175.55 173.51 1dcj s ARG 74 N -5.11 0.69 -0.21 -0.62 0.52 -0.57 -0.98 118.95 112.67 1dcj s ARG 74 Ca 0.61 -0.38 -0.08 0.00 -0.52 0.00 0.00 55.73 55.36 1dcj s ARG 74 Cb -0.15 0.30 0.09 0.00 0.52 0.00 0.00 34.95 35.70 1dcj s ARG 74 CO 0.55 -0.20 0.46 0.71 0.02 0.00 0.00 175.30 176.84 1dcj s TYR 75 N -1.89 -0.84 0.29 -0.53 2.02 -0.19 0.20 117.35 116.41 1dcj s TYR 75 Ca -0.10 1.61 -0.10 0.00 -0.37 0.00 0.00 57.07 58.11 1dcj s TYR 75 Cb -0.04 0.38 -0.07 0.00 -0.40 0.00 0.00 41.96 41.84 1dcj s TYR 75 CO 0.00 -0.48 0.63 -1.17 -1.57 0.00 0.00 175.55 172.97 1dcj s LEU 76 N 2.30 4.06 -0.18 -1.29 2.96 0.21 -1.86 118.68 124.87 1dcj s LEU 76 Ca -0.05 0.99 -0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1dcj s LEU 76 Cb -0.11 -3.80 0.08 0.00 0.50 0.00 0.00 46.19 42.86 1dcj s LEU 76 CO -0.14 -0.19 0.18 -0.63 -1.32 0.00 0.00 176.35 174.26 1dcj s ILE 77 N -2.01 -0.26 -0.37 6.68 1.01 -0.04 -0.19 121.20 126.03 1dcj s ILE 77 Ca 0.49 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.79 1dcj s ILE 77 Cb -0.11 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1dcj s ILE 77 CO 0.24 -0.17 1.64 -0.13 0.00 0.00 0.00 174.94 176.51 1dcj s ARG 78 N 2.28 3.42 0.16 2.79 0.52 0.21 -2.01 118.95 126.33 1dcj s ARG 78 Ca 0.05 1.20 -0.33 0.00 -0.52 0.00 0.00 55.73 56.13 1dcj s ARG 78 Cb -0.15 -4.13 -0.13 0.00 0.52 0.00 0.00 34.95 31.06 1dcj s ARG 78 CO -0.10 -1.75 1.63 1.17 0.02 0.00 0.00 175.30 176.27 1dcj n LYS 79 N 8.30 2.33 -2.13 3.54 3.00 -0.52 -1.79 118.16 130.88 1dcj n LYS 79 Ca 0.20 0.84 -0.01 0.00 -0.00 0.00 0.00 58.31 59.35 1dcj n LYS 79 Cb 0.47 -2.64 0.01 0.00 0.00 0.00 0.00 35.03 32.87 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 3.61 1.01 0.00 3.14 0.00 -1.26 -0.63 105.19 111.06 1dcj n GLY 80 Ca 0.17 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93