#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 4.62 -0.23 2.03 -4.23 -1.26 -5.01 115.64 111.56 1dcj s THR 2 Ca 0.00 -0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 1dcj s THR 2 Cb 0.00 -4.42 0.01 0.00 1.34 0.00 0.00 72.50 69.42 1dcj s THR 2 CO 0.00 -0.96 -0.05 -0.62 -0.54 0.00 0.00 174.62 172.44 1dcj s ASP 3 N 2.76 4.26 0.00 3.99 -1.08 -1.26 -4.95 116.67 120.39 1dcj s ASP 3 Ca 0.23 -0.60 0.13 0.00 -0.52 0.00 0.00 52.55 51.80 1dcj s ASP 3 Cb -0.16 -1.70 0.58 0.00 -1.46 0.00 0.00 42.92 40.18 1dcj s ASP 3 CO 0.16 -0.07 1.41 0.18 0.52 0.00 0.00 175.17 177.37 1dcj n LEU 4 N 4.75 0.00 -0.79 -1.34 4.77 -1.26 -2.13 117.00 121.00 1dcj n LEU 4 Ca -0.18 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1dcj n LEU 4 Cb 0.49 -0.47 0.12 0.00 -2.33 0.00 0.00 43.42 41.24 1dcj n LEU 4 CO 0.28 -0.26 0.50 0.49 -1.33 0.00 0.00 177.39 177.07 1dcj n PHE 5 N -1.47 0.57 -0.75 -1.77 3.01 -1.26 -4.84 117.46 110.95 1dcj n PHE 5 Ca 0.04 -0.21 -0.23 0.00 1.01 0.00 0.00 57.45 58.06 1dcj n PHE 5 Cb 0.15 -0.16 0.08 0.00 -0.01 0.00 0.00 39.48 39.54 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 0.20 -2.65 -4.46 4.37 7.64 -0.90 -4.36 113.62 113.46 1dcj n SER 6 Ca 0.09 -0.13 -0.45 0.00 1.01 0.00 0.00 58.87 59.38 1dcj n SER 6 Cb 0.45 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.12 1.22 -4.80 6.43 3.41 -1.26 -4.87 113.62 114.87 1dcj n SER 7 Ca 0.01 0.18 -0.29 0.00 -0.26 0.00 0.00 58.87 58.50 1dcj n SER 7 Cb 0.44 -1.14 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 7.69 1.73 0.40 4.33 0.04 -1.26 -4.96 135.00 142.97 1dcj s PRO 8 Ca 1.19 0.48 0.22 0.00 0.04 0.00 0.00 61.00 62.93 1dcj s PRO 8 Cb -0.98 -1.89 0.47 0.00 0.04 0.00 0.00 34.50 32.14 1dcj s PRO 8 CO 0.47 -1.83 1.64 -0.44 0.04 0.00 0.00 177.00 176.88 1dcj h ASP 9 N -1.24 0.00 -5.47 6.66 3.32 -1.65 -3.47 116.42 114.57 1dcj h ASP 9 Ca -0.48 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.35 1dcj h ASP 9 Cb 1.29 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.75 1dcj h ASP 9 CO 0.61 0.21 -0.23 -1.00 -1.72 0.00 0.00 179.24 177.11 1dcj s HIS 10 N -3.26 0.92 0.10 4.55 3.76 -0.51 -4.96 115.29 115.88 1dcj s HIS 10 Ca 0.04 -1.17 -0.07 0.00 -0.15 0.00 0.00 55.06 53.71 1dcj s HIS 10 Cb 0.07 -0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 1dcj s HIS 10 CO 0.68 -1.04 0.17 0.99 -0.85 0.00 0.00 174.74 174.68 1dcj s THR 11 N -3.41 0.14 -0.23 1.30 2.01 -1.26 -1.17 115.64 113.02 1dcj s THR 11 Ca 0.30 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 1dcj s THR 11 Cb 0.00 -1.51 0.11 0.00 0.01 0.00 0.00 72.50 71.12 1dcj s THR 11 CO 0.17 -0.62 0.28 -0.22 -0.69 0.00 0.00 174.62 173.54 1dcj s LEU 12 N -2.90 -0.29 0.15 4.42 2.96 0.15 -4.85 118.68 118.32 1dcj s LEU 12 Ca 0.09 -0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 1dcj s LEU 12 Cb 0.05 0.62 -0.07 0.00 0.50 0.00 0.00 46.19 47.29 1dcj s LEU 12 CO -0.08 -0.33 1.12 -0.62 -1.32 0.00 0.00 176.35 175.12 1dcj s ASP 13 N 2.40 7.23 0.00 3.68 -1.08 -1.26 -0.86 116.67 126.77 1dcj s ASP 13 Ca 0.09 2.07 0.00 0.00 -0.52 0.00 0.00 52.55 54.19 1dcj s ASP 13 Cb -0.15 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1dcj s ASP 13 CO -0.16 -0.27 0.93 0.00 0.52 0.00 0.00 175.17 176.18 1dcj n ALA 14 N 2.68 1.87 -2.54 3.66 0.00 0.48 -4.85 120.51 121.80 1dcj n ALA 14 Ca 0.04 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 1dcj n ALA 14 Cb 0.46 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 3.39 0.00 0.00 1.43 -1.25 -1.58 118.68 120.66 1dcj s LEU 15 Ca 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 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 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 175.61 1dcj n GLY 16 N 5.15 0.47 3.89 -3.19 0.00 -1.26 -4.82 105.19 105.43 1dcj n GLY 16 Ca 0.08 0.00 -0.32 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 4.29 0.01 0.99 1.43 -0.62 -4.97 118.68 119.81 1dcj s LEU 17 Ca 0.00 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1dcj s LEU 17 Cb 0.00 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1dcj s LEU 17 CO 0.00 0.09 0.07 0.00 0.23 0.00 0.00 176.35 176.74 1dcj s ARG 18 N -2.45 0.39 0.31 1.70 1.70 -1.26 -4.10 118.95 115.24 1dcj s ARG 18 Ca 0.38 -0.45 -0.27 0.00 -0.47 0.00 0.00 55.73 54.93 1dcj s ARG 18 Cb -0.13 0.15 -0.14 0.00 -0.57 0.00 0.00 34.95 34.27 1dcj s ARG 18 CO 0.23 -0.08 0.80 0.00 -1.08 0.00 0.00 175.30 175.17 1dcj n PRO 20 N 0.72 1.63 -0.17 0.00 -0.04 -1.26 -4.91 135.00 130.97 1dcj n PRO 20 Ca 0.12 -0.94 -0.01 0.00 -0.04 0.00 0.00 63.50 62.62 1dcj n PRO 20 Cb 0.33 -1.41 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.15 0.39 0.54 4.39 -0.74 0.52 114.58 121.83 1dcj h GLU 21 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1dcj h GLU 21 Cb 0.43 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1dcj h GLU 21 CO 0.00 0.10 -0.19 -1.00 -1.16 0.00 0.00 179.01 176.76 1dcj h PRO 22 N 0.15 -0.51 -0.80 2.33 0.13 -1.87 -0.72 132.00 130.72 1dcj h PRO 22 Ca 0.27 0.03 0.23 0.00 -0.87 0.00 0.00 66.00 65.66 1dcj h PRO 22 Cb 0.40 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 1dcj h PRO 22 CO -0.41 -0.34 0.83 0.28 -0.23 0.00 0.00 178.00 178.13 1dcj h VAL 23 N -0.85 0.21 -0.07 1.56 2.07 -1.87 0.65 116.25 117.96 1dcj h VAL 23 Ca -0.05 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1dcj h VAL 23 Cb 0.40 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1dcj h VAL 23 CO 0.09 0.00 -0.54 0.24 0.02 0.00 0.00 177.57 177.38 1dcj h MET 24 N 0.00 0.49 -0.63 1.57 2.86 0.60 -2.61 114.93 117.20 1dcj h MET 24 Ca 0.38 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1dcj h MET 24 Cb 2.03 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 33.76 1dcj h MET 24 CO -0.00 1.07 0.42 0.52 1.06 0.00 0.00 176.91 179.98 1dcj h MET 25 N 0.06 0.83 0.00 1.72 2.86 0.18 0.13 114.93 120.71 1dcj h MET 25 Ca -0.05 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1dcj h MET 25 Cb 1.20 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 1dcj h MET 25 CO 0.11 0.55 -0.09 0.28 1.06 0.00 0.00 176.91 178.82 1dcj h VAL 26 N 0.86 0.61 0.72 -2.22 2.07 -1.41 -0.80 116.25 116.08 1dcj h VAL 26 Ca 0.23 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1dcj h VAL 26 Cb -0.10 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1dcj h VAL 26 CO -0.05 0.09 -0.35 0.03 0.02 0.00 0.00 177.57 177.31 1dcj h ARG 27 N 0.00 -0.94 -0.93 1.57 2.47 -0.36 0.58 114.38 116.77 1dcj h ARG 27 Ca -0.00 0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1dcj h ARG 27 Cb 0.24 0.21 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 1dcj h ARG 27 CO 0.01 -0.63 0.61 0.87 0.56 0.00 0.00 179.97 181.39 1dcj h LYS 28 N -1.25 1.16 -0.46 0.04 1.57 -1.20 0.40 116.57 116.82 1dcj h LYS 28 Ca -0.10 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1dcj h LYS 28 Cb 0.75 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1dcj h LYS 28 CO 0.16 0.77 0.06 1.15 -0.57 0.00 0.00 179.45 181.02 1dcj h THR 29 N 1.19 1.22 0.00 -0.16 2.02 -1.12 0.25 112.91 116.31 1dcj h THR 29 Ca 0.36 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 1dcj h THR 29 Cb -0.04 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1dcj h THR 29 CO -0.11 0.30 -0.37 0.58 0.37 0.00 0.00 175.52 176.29 1dcj h VAL 30 N 0.69 1.17 0.00 3.16 2.07 0.26 0.77 116.25 124.38 1dcj h VAL 30 Ca 0.15 -1.31 -0.17 0.00 0.82 0.00 0.00 66.70 66.19 1dcj h VAL 30 Cb 0.33 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1dcj h VAL 30 CO 0.01 0.36 -0.82 0.03 0.02 0.00 0.00 177.57 177.17 1dcj h ARG 31 N 0.00 0.00 -0.31 1.57 3.08 0.24 -3.08 114.38 115.88 1dcj h ARG 31 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1dcj h ARG 31 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1dcj h ARG 31 CO 0.05 0.82 0.00 0.27 -1.07 0.00 0.00 179.97 180.04 1dcj n ASN 32 N -3.57 3.27 -4.70 7.04 0.23 0.59 -4.96 115.26 113.16 1dcj n ASN 32 Ca -0.01 -1.95 -0.23 0.00 -0.53 0.00 0.00 54.58 51.86 1dcj n ASN 32 Cb 0.79 -0.20 0.11 0.00 -2.08 0.00 0.00 39.78 38.40 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 -1.48 1.65 0.04 -3.83 -1.94 0.26 -5.03 119.30 108.97 1dcj s MET 33 Ca 0.34 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 1dcj s MET 33 Cb 0.21 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 1dcj s MET 33 CO 0.29 -1.46 -0.04 -0.65 -0.01 0.00 0.00 175.02 173.15 1dcj s GLN 34 N -5.10 0.45 -0.11 2.03 1.11 -1.26 -4.97 119.66 111.81 1dcj s GLN 34 Ca 0.67 -0.83 -0.29 0.00 0.01 0.00 0.00 55.36 54.92 1dcj s GLN 34 Cb -0.04 0.06 -0.04 0.00 -1.01 0.00 0.00 33.01 31.98 1dcj s GLN 34 CO 0.44 -0.05 1.49 -1.25 0.01 0.00 0.00 175.29 175.94 1dcj s PRO 35 N -2.23 4.18 0.00 2.91 0.04 -1.25 -2.35 135.00 136.29 1dcj s PRO 35 Ca -0.08 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1dcj s PRO 35 Cb -0.05 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1dcj s PRO 35 CO -0.03 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1dcj n GLY 36 N 3.95 1.43 2.02 0.56 0.00 0.17 -4.92 105.19 108.39 1dcj n GLY 36 Ca 0.16 0.00 -0.18 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 -1.15 1.19 -4.08 1.61 1.02 -0.99 -4.98 120.64 113.25 1dcj n GLU 37 Ca 0.00 -2.06 -0.09 0.00 -0.02 0.00 0.00 57.16 54.99 1dcj n GLU 37 Cb 0.00 0.67 -0.10 0.00 -0.02 0.00 0.00 31.44 31.98 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 -2.11 0.35 -0.13 2.62 -4.23 -1.26 -1.78 115.64 109.08 1dcj s THR 38 Ca 0.03 -1.58 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1dcj s THR 38 Cb 0.00 -1.20 0.07 0.00 1.34 0.00 0.00 72.50 72.70 1dcj s THR 38 CO 0.02 -0.80 0.23 -0.22 -0.54 0.00 0.00 174.62 173.31 1dcj s LEU 39 N -2.51 -0.23 0.24 4.79 2.96 -0.90 -1.42 118.68 121.62 1dcj s LEU 39 Ca 0.02 0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 54.14 1dcj s LEU 39 Cb 0.02 0.56 -0.08 0.00 0.50 0.00 0.00 46.19 47.18 1dcj s LEU 39 CO -0.06 -0.26 0.70 -0.22 -1.32 0.00 0.00 176.35 175.19 1dcj s LEU 40 N 2.38 4.25 -0.07 -0.68 2.96 -0.32 -0.84 118.68 126.37 1dcj s LEU 40 Ca 0.03 1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1dcj s LEU 40 Cb -0.13 -3.69 0.04 0.00 0.50 0.00 0.00 46.19 42.91 1dcj s LEU 40 CO -0.09 -0.03 0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 1dcj s ILE 41 N -1.66 -0.17 0.31 6.68 1.01 -0.71 0.31 121.20 126.95 1dcj s ILE 41 Ca 0.46 0.32 0.05 0.00 0.00 0.00 0.00 60.65 61.48 1dcj s ILE 41 Cb -0.14 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 1dcj s ILE 41 CO 0.20 0.14 0.45 -0.63 0.00 0.00 0.00 174.94 175.09 1dcj s ILE 42 N 1.95 4.56 -0.29 2.92 1.01 -0.04 -0.81 121.20 130.51 1dcj s ILE 42 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 1dcj s ILE 42 Cb -0.12 -3.61 0.12 0.00 0.01 0.00 0.00 42.46 38.86 1dcj s ILE 42 CO -0.05 -0.26 0.80 0.00 0.00 0.00 0.00 174.94 175.43 1dcj s ALA 43 N -2.14 -2.13 -0.09 9.38 0.00 0.31 -0.39 121.76 126.71 1dcj s ALA 43 Ca 0.41 2.30 0.18 0.00 0.00 0.00 0.00 51.96 54.85 1dcj s ALA 43 Cb -0.09 -1.66 -0.27 0.00 0.00 0.00 0.00 23.12 21.10 1dcj s ALA 43 CO 0.31 -0.56 0.27 -0.40 0.00 0.00 0.00 175.76 175.39 1dcj n ASP 44 N 4.46 0.60 -4.77 0.00 5.68 -0.97 -0.18 116.55 121.38 1dcj n ASP 44 Ca -0.17 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.73 1dcj n ASP 44 Cb 0.56 1.49 0.01 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 -4.62 5.93 0.45 -1.12 2.15 -1.23 -4.87 116.67 113.36 1dcj s ASP 45 Ca -0.08 2.91 0.25 0.00 0.43 0.00 0.00 52.55 56.07 1dcj s ASP 45 Cb 0.09 -2.65 0.56 0.00 -0.30 0.00 0.00 42.92 40.63 1dcj s ASP 45 CO 0.77 -1.14 1.69 1.55 -0.17 0.00 0.00 175.17 177.88 1dcj h PRO 46 N 2.39 0.00 -0.01 4.34 0.13 -1.90 -3.08 132.00 133.87 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 0.61 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.26 1dcj n ALA 47 N -2.08 2.81 0.04 -0.56 0.00 -1.26 -3.94 120.51 115.52 1dcj n ALA 47 Ca 0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1dcj n ALA 47 Cb 0.48 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 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 1.48 0.84 -0.66 0.00 1.35 -1.85 -0.89 112.91 113.18 1dcj h THR 48 Ca 0.00 -2.43 0.12 0.00 -0.55 0.00 0.00 66.41 63.55 1dcj h THR 48 Cb 0.45 2.66 -0.04 0.00 -1.73 0.00 0.00 68.15 69.49 1dcj h THR 48 CO 0.00 0.84 0.45 0.71 -0.25 0.00 0.00 175.52 177.27 1dcj h THR 49 N 0.01 0.85 0.03 6.82 1.35 -1.70 0.30 112.91 120.58 1dcj h THR 49 Ca -0.37 -0.14 -0.37 0.00 -0.55 0.00 0.00 66.41 64.98 1dcj h THR 49 Cb 2.01 0.42 -0.05 0.00 -1.73 0.00 0.00 68.15 68.80 1dcj h THR 49 CO 0.12 0.07 -2.29 0.54 -0.25 0.00 0.00 175.52 173.72 1dcj n ARG 50 N -4.47 0.68 -0.04 4.72 1.74 -1.25 -4.44 116.66 113.61 1dcj n ARG 50 Ca 0.12 0.17 -0.20 0.00 -0.77 0.00 0.00 57.85 57.17 1dcj n ARG 50 Cb 0.45 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.19 -0.48 0.55 3.32 -0.94 -2.83 116.42 116.24 1dcj h ASP 51 Ca -0.51 -0.81 0.09 0.00 0.02 0.00 0.00 57.03 55.82 1dcj h ASP 51 Cb 1.99 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 41.40 1dcj h ASP 51 CO -0.01 1.41 0.02 0.40 -1.72 0.00 0.00 179.24 179.33 1dcj h ILE 52 N -0.67 0.64 0.02 0.35 2.04 -1.08 0.24 117.51 119.04 1dcj h ILE 52 Ca -0.23 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1dcj h ILE 52 Cb 1.44 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1dcj h ILE 52 CO -0.02 0.02 -0.01 1.55 0.00 0.00 0.00 178.15 179.69 1dcj h PRO 53 N 0.14 -0.03 -0.56 2.37 0.13 -1.74 -2.46 132.00 129.85 1dcj h PRO 53 Ca 0.24 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.54 1dcj h PRO 53 Cb 0.36 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 1dcj h PRO 53 CO -0.39 0.58 0.68 0.78 -0.23 0.00 0.00 178.00 179.42 1dcj h GLY 54 N -0.66 0.00 0.14 1.56 0.00 -1.22 0.27 103.07 103.16 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 -0.03 -0.90 5.60 3.57 -0.62 -3.09 116.94 121.47 1dcj h PHE 55 Ca 0.26 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.87 1dcj h PHE 55 Cb 1.62 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.30 1dcj h PHE 55 CO 0.00 0.68 0.58 0.00 -2.23 0.00 0.00 178.31 177.34 1dcj h THR 57 N 0.87 1.15 -0.38 0.00 2.02 -1.18 -0.50 112.91 114.89 1dcj h THR 57 Ca 0.43 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 1dcj h THR 57 Cb 0.45 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1dcj h THR 57 CO -0.19 0.17 -0.25 0.15 0.37 0.00 0.00 175.52 175.78 1dcj h PHE 58 N 0.64 0.98 0.00 3.16 3.04 -0.89 -2.78 116.94 121.08 1dcj h PHE 58 Ca 0.16 -0.26 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1dcj h PHE 58 Cb 0.05 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1dcj h PHE 58 CO 0.00 1.04 0.00 -1.33 -2.02 0.00 0.00 178.31 176.00 1dcj n MET 59 N -4.21 0.76 -1.75 1.11 2.81 -0.99 -4.82 117.12 110.03 1dcj n MET 59 Ca -0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.87 1dcj n MET 59 Cb 0.46 -1.35 -0.00 0.00 -0.71 0.00 0.00 33.22 31.62 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 -0.85 -0.04 -2.78 0.03 4.07 -1.05 -4.71 120.64 115.32 1dcj n GLU 60 Ca 0.13 0.15 -0.21 0.00 -0.06 0.00 0.00 57.16 57.17 1dcj n GLU 60 Cb 0.06 -3.68 0.06 0.00 -0.06 0.00 0.00 31.44 27.82 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 -2.02 2.15 0.02 4.31 3.76 -0.23 -3.07 115.29 120.22 1dcj s HIS 61 Ca 0.00 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 54.67 1dcj s HIS 61 Cb 0.00 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.03 1dcj s HIS 61 CO 0.00 -1.10 -0.23 -1.21 -0.85 0.00 0.00 174.74 171.35 1dcj s GLU 62 N -4.78 1.63 -0.65 1.40 2.02 -0.61 -4.43 118.70 113.28 1dcj s GLU 62 Ca 0.61 -0.93 -0.24 0.00 0.02 0.00 0.00 54.97 54.42 1dcj s GLU 62 Cb -0.08 -1.70 0.05 0.00 0.10 0.00 0.00 34.13 32.50 1dcj s GLU 62 CO 0.39 0.45 1.06 -1.17 0.02 0.00 0.00 175.26 176.01 1dcj s LEU 63 N -0.98 3.94 -0.00 1.80 2.96 -1.26 0.62 118.68 125.75 1dcj s LEU 63 Ca 0.09 -0.64 -0.23 0.00 -0.22 0.00 0.00 54.13 53.12 1dcj s LEU 63 Cb -0.09 -2.59 -0.19 0.00 0.50 0.00 0.00 46.19 43.83 1dcj s LEU 63 CO 0.01 -1.51 1.24 0.58 -1.32 0.00 0.00 176.35 175.35 1dcj h VAL 64 N 6.01 1.41 -2.95 1.68 2.07 -0.58 -3.46 116.25 120.44 1dcj h VAL 64 Ca -0.28 -1.40 -0.18 0.00 0.82 0.00 0.00 66.70 65.66 1dcj h VAL 64 Cb 1.06 2.19 -0.29 0.00 -1.52 0.00 0.00 31.29 32.74 1dcj h VAL 64 CO 1.19 0.39 -0.45 0.00 0.02 0.00 0.00 177.57 178.72 1dcj s ALA 65 N -4.00 -0.66 0.29 1.67 0.00 -1.17 -4.90 121.76 113.00 1dcj s ALA 65 Ca -0.15 1.10 0.05 0.00 0.00 0.00 0.00 51.96 52.96 1dcj s ALA 65 Cb 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 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 1.28 3.35 -0.16 0.00 3.01 -1.26 0.78 119.74 126.74 1dcj s LYS 66 Ca -0.09 -0.75 -0.04 0.00 -1.01 0.00 0.00 55.97 54.08 1dcj s LYS 66 Cb -0.10 -2.83 0.06 0.00 -1.01 0.00 0.00 37.83 33.95 1dcj s LYS 66 CO -0.09 0.27 0.07 -1.21 0.51 0.00 0.00 175.35 174.90 1dcj s GLU 67 N -4.10 0.23 -0.07 1.68 0.41 0.53 -4.88 118.70 112.50 1dcj s GLU 67 Ca 0.38 -0.11 0.24 0.00 -0.41 0.00 0.00 54.97 55.07 1dcj s GLU 67 Cb -0.09 -1.72 0.44 0.00 -1.78 0.00 0.00 34.13 30.98 1dcj s GLU 67 CO 0.31 -0.61 1.17 0.25 -0.49 0.00 0.00 175.26 175.89 1dcj n THR 68 N 5.22 0.48 1.83 3.63 -2.24 -1.26 -1.57 114.28 120.36 1dcj n THR 68 Ca -0.07 -1.60 0.07 0.00 -2.27 0.00 0.00 64.05 60.18 1dcj n THR 68 Cb 0.49 0.87 0.41 0.00 -2.10 0.00 0.00 70.33 70.00 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 0.14 0.00 0.00 3.42 9.92 -1.26 -4.83 116.55 123.93 1dcj n ASP 69 Ca 0.08 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 52.95 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 0.61 3.85 2.72 0.44 0.00 -1.26 -5.09 105.19 106.46 1dcj n GLY 70 Ca 0.10 -0.81 -0.34 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 -2.65 -4.82 0.99 4.77 -1.26 -4.47 117.00 109.57 1dcj n LEU 71 Ca 0.00 0.62 -0.34 0.00 -0.03 0.00 0.00 56.01 56.27 1dcj n LEU 71 Cb 0.00 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 40.30 1dcj n LEU 71 CO 0.00 -3.68 0.60 -2.16 -1.33 0.00 0.00 177.39 170.82 1dcj s PRO 72 N -0.83 4.25 0.85 3.23 0.04 -1.26 -5.12 135.00 136.15 1dcj s PRO 72 Ca 0.48 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1dcj s PRO 72 Cb -0.48 -2.36 0.10 0.00 0.04 0.00 0.00 34.50 31.80 1dcj s PRO 72 CO 0.53 0.07 1.09 0.71 0.04 0.00 0.00 177.00 179.45 1dcj s TYR 73 N -2.02 2.55 0.02 0.56 2.02 0.74 -4.74 117.35 116.48 1dcj s TYR 73 Ca 0.58 1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 58.40 1dcj s TYR 73 Cb -0.11 -3.14 0.01 0.00 -0.40 0.00 0.00 41.96 38.32 1dcj s TYR 73 CO 0.16 -2.10 0.22 1.03 -1.57 0.00 0.00 175.55 173.28 1dcj s ARG 74 N -5.03 0.65 -0.20 -0.62 0.52 -0.61 -0.53 118.95 113.13 1dcj s ARG 74 Ca 0.62 -0.47 -0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1dcj s ARG 74 Cb -0.16 0.27 0.08 0.00 0.52 0.00 0.00 34.95 35.66 1dcj s ARG 74 CO 0.56 -0.18 0.46 0.71 0.02 0.00 0.00 175.30 176.87 1dcj s TYR 75 N -2.00 -0.80 0.31 -0.53 2.02 0.01 0.20 117.35 116.56 1dcj s TYR 75 Ca -0.09 1.56 -0.10 0.00 -0.37 0.00 0.00 57.07 58.07 1dcj s TYR 75 Cb -0.04 0.36 -0.07 0.00 -0.40 0.00 0.00 41.96 41.82 1dcj s TYR 75 CO -0.01 -0.45 0.65 -1.17 -1.57 0.00 0.00 175.55 173.00 1dcj s LEU 76 N 2.12 4.04 -0.21 -1.29 2.96 0.23 -1.75 118.68 124.79 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 -3.84 0.09 0.00 0.50 0.00 0.00 46.19 42.84 1dcj s LEU 76 CO -0.14 -0.21 0.19 -0.63 -1.32 0.00 0.00 176.35 174.24 1dcj s ILE 77 N -2.05 -0.26 -0.40 6.68 1.01 -0.02 0.19 121.20 126.35 1dcj s ILE 77 Ca 0.49 -0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.67 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 0.24 -0.27 1.59 -0.60 0.00 0.00 0.00 174.94 175.89 1dcj s ARG 78 N 2.27 3.41 0.30 2.79 3.52 0.20 -2.11 118.95 129.33 1dcj s ARG 78 Ca 0.06 1.07 -0.30 0.00 -0.13 0.00 0.00 55.73 56.43 1dcj s ARG 78 Cb -0.16 -4.12 -0.12 0.00 -1.56 0.00 0.00 34.95 29.00 1dcj s ARG 78 CO -0.14 -1.77 1.59 1.17 -0.81 0.00 0.00 175.30 175.33 1dcj n LYS 79 N 8.32 2.71 -2.12 5.12 0.00 -0.74 -1.57 118.16 129.89 1dcj n LYS 79 Ca 0.19 0.96 -0.01 0.00 0.00 0.00 0.00 58.31 59.46 1dcj n LYS 79 Cb 0.48 -2.74 0.01 0.00 0.00 0.00 0.00 35.03 32.77 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 2.02 1.03 0.00 3.14 0.00 -1.26 -0.66 105.19 109.46 1dcj n GLY 80 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93