#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 4.72 0.09 2.03 2.01 -1.26 -5.06 115.64 118.17 1dcj s THR 2 Ca 0.00 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1dcj s THR 2 Cb 0.00 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 1dcj s THR 2 CO 0.00 0.00 1.05 -1.81 -0.69 0.00 0.00 174.62 173.18 1dcj s ASP 3 N 1.62 7.32 0.48 3.53 1.11 -1.26 -4.91 116.67 124.56 1dcj s ASP 3 Ca 0.04 1.89 0.25 0.00 0.18 0.00 0.00 52.55 54.91 1dcj s ASP 3 Cb -0.17 -2.59 1.18 0.00 1.07 0.00 0.00 42.92 42.41 1dcj s ASP 3 CO 0.07 -0.24 1.95 -0.07 1.18 0.00 0.00 175.17 178.07 1dcj h LEU 4 N 5.97 0.00 -1.48 1.23 3.38 -1.97 -1.81 115.31 120.63 1dcj h LEU 4 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1dcj h LEU 4 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1dcj h LEU 4 CO 0.75 0.19 0.00 0.49 0.09 0.00 0.00 178.44 179.96 1dcj n PHE 5 N -3.59 0.56 -0.71 1.13 3.01 -1.26 -4.83 117.46 111.78 1dcj n PHE 5 Ca -0.01 -0.21 -0.23 0.00 1.01 0.00 0.00 57.45 58.00 1dcj n PHE 5 Cb 0.33 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 39.76 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 0.22 -2.69 -4.46 4.37 7.64 -0.68 -4.40 113.62 113.62 1dcj n SER 6 Ca 0.09 -0.18 -0.46 0.00 1.01 0.00 0.00 58.87 59.34 1dcj n SER 6 Cb 0.43 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.42 1.30 -4.75 6.43 3.41 -1.26 -4.88 113.62 114.30 1dcj n SER 7 Ca 0.02 0.18 -0.29 0.00 -0.26 0.00 0.00 58.87 58.52 1dcj n SER 7 Cb 0.46 -1.15 0.14 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 7.61 1.14 0.30 4.33 0.04 -1.26 -4.97 135.00 142.19 1dcj s PRO 8 Ca 1.18 0.25 0.20 0.00 0.04 0.00 0.00 61.00 62.67 1dcj s PRO 8 Cb -0.96 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 31.88 1dcj s PRO 8 CO 0.47 -2.19 1.37 -0.44 0.04 0.00 0.00 177.00 176.24 1dcj h ASP 9 N -1.49 0.00 -5.50 6.66 3.32 -1.67 -3.47 116.42 114.26 1dcj h ASP 9 Ca -0.50 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.33 1dcj h ASP 9 Cb 1.33 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.77 1dcj h ASP 9 CO 0.61 0.23 -0.32 -1.00 -1.72 0.00 0.00 179.24 177.04 1dcj s HIS 10 N -3.12 0.97 0.09 4.55 3.76 -0.53 -4.97 115.29 116.04 1dcj s HIS 10 Ca 0.04 -1.20 -0.07 0.00 -0.15 0.00 0.00 55.06 53.68 1dcj s HIS 10 Cb 0.07 -0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.54 1dcj s HIS 10 CO 0.73 -0.93 0.15 0.99 -0.85 0.00 0.00 174.74 174.83 1dcj s THR 11 N -3.67 0.15 -0.20 1.30 2.01 -1.26 -1.10 115.64 112.87 1dcj s THR 11 Ca 0.32 -1.35 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 1dcj s THR 11 Cb 0.02 -1.45 0.10 0.00 0.01 0.00 0.00 72.50 71.18 1dcj s THR 11 CO 0.16 -0.68 0.27 -0.22 -0.69 0.00 0.00 174.62 173.46 1dcj s LEU 12 N -2.89 -0.28 0.27 4.42 2.96 0.80 -4.87 118.68 119.09 1dcj s LEU 12 Ca 0.07 0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 1dcj s LEU 12 Cb 0.05 0.63 -0.09 0.00 0.50 0.00 0.00 46.19 47.28 1dcj s LEU 12 CO -0.09 -0.31 0.95 -0.62 -1.32 0.00 0.00 176.35 174.96 1dcj s ASP 13 N 2.40 7.51 0.00 3.68 -1.08 -1.26 -0.68 116.67 127.24 1dcj s ASP 13 Ca 0.08 1.92 0.00 0.00 -0.52 0.00 0.00 52.55 54.02 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 -0.13 0.06 0.86 0.00 0.52 0.00 0.00 175.17 176.49 1dcj n ALA 14 N 1.12 1.98 -2.60 3.66 0.00 0.56 -4.82 120.51 120.40 1dcj n ALA 14 Ca -0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 1dcj n ALA 14 Cb 0.48 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 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 3.67 0.00 0.00 1.43 -1.25 -1.79 118.68 120.73 1dcj s LEU 15 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1dcj s LEU 15 Cb 0.00 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1dcj s LEU 15 CO 0.00 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 175.81 1dcj n GLY 16 N 5.05 0.37 3.89 -3.19 0.00 -1.26 -4.82 105.19 105.23 1dcj n GLY 16 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 4.28 -0.00 0.99 1.43 -0.74 -4.99 118.68 119.64 1dcj s LEU 17 Ca 0.00 0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1dcj s LEU 17 Cb 0.00 -3.26 -0.00 0.00 0.03 0.00 0.00 46.19 42.96 1dcj s LEU 17 CO 0.00 0.07 0.08 0.00 0.23 0.00 0.00 176.35 176.73 1dcj s ARG 18 N -2.51 0.33 0.31 1.70 1.70 -1.26 -4.12 118.95 115.10 1dcj s ARG 18 Ca 0.40 -0.30 -0.26 0.00 -0.47 0.00 0.00 55.73 55.09 1dcj s ARG 18 Cb -0.12 0.13 -0.14 0.00 -0.57 0.00 0.00 34.95 34.25 1dcj s ARG 18 CO 0.23 -0.07 0.80 0.00 -1.08 0.00 0.00 175.30 175.18 1dcj n PRO 20 N 0.72 1.65 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.98 1dcj n PRO 20 Ca 0.12 -0.97 -0.01 0.00 -0.04 0.00 0.00 63.50 62.60 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 2.02 0.26 0.44 0.54 5.08 -0.74 0.63 114.58 122.80 1dcj h GLU 21 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1dcj h GLU 21 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1dcj h GLU 21 CO 0.00 0.17 -0.21 -1.00 -1.00 0.00 0.00 179.01 176.97 1dcj h PRO 22 N 0.26 -0.57 -0.62 2.33 0.13 -1.87 -0.51 132.00 131.15 1dcj h PRO 22 Ca 0.28 0.04 0.18 0.00 -0.87 0.00 0.00 66.00 65.63 1dcj h PRO 22 Cb 0.39 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1dcj h PRO 22 CO -0.35 -0.38 0.72 0.28 -0.23 0.00 0.00 178.00 178.04 1dcj h VAL 23 N -1.05 0.22 0.03 1.56 2.07 -1.85 0.62 116.25 117.85 1dcj h VAL 23 Ca -0.06 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.21 1dcj h VAL 23 Cb 0.45 0.42 0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1dcj h VAL 23 CO 0.10 0.00 -1.00 0.24 0.02 0.00 0.00 177.57 176.93 1dcj h MET 24 N 0.00 0.62 -0.56 1.57 2.86 0.81 -2.80 114.93 117.43 1dcj h MET 24 Ca 0.29 -0.71 0.02 0.00 -2.06 0.00 0.00 59.70 57.24 1dcj h MET 24 Cb 1.73 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 33.57 1dcj h MET 24 CO -0.00 1.30 0.35 0.52 1.06 0.00 0.00 176.91 180.13 1dcj h MET 25 N 0.25 0.68 0.00 1.72 2.86 0.19 0.17 114.93 120.80 1dcj h MET 25 Ca -0.13 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1dcj h MET 25 Cb 1.67 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 33.17 1dcj h MET 25 CO 0.19 0.45 -0.16 0.28 1.06 0.00 0.00 176.91 178.73 1dcj h VAL 26 N 0.70 1.11 0.31 -2.22 2.07 -1.48 -1.18 116.25 115.57 1dcj h VAL 26 Ca 0.22 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1dcj h VAL 26 Cb -0.01 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1dcj h VAL 26 CO -0.08 0.16 -0.15 0.03 0.02 0.00 0.00 177.57 177.55 1dcj h ARG 27 N 0.00 -0.40 -0.39 1.57 2.47 -0.71 0.90 114.38 117.82 1dcj h ARG 27 Ca -0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1dcj h ARG 27 Cb 0.29 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1dcj h ARG 27 CO 0.02 -0.13 0.26 0.87 0.56 0.00 0.00 179.97 181.55 1dcj h LYS 28 N -0.64 0.51 -0.32 0.04 1.57 -1.12 0.47 116.57 117.08 1dcj h LYS 28 Ca -0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1dcj h LYS 28 Cb 0.45 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1dcj h LYS 28 CO 0.07 0.34 0.07 1.15 -0.57 0.00 0.00 179.45 180.50 1dcj h THR 29 N 0.53 1.16 0.00 -0.16 2.02 -1.15 0.23 112.91 115.53 1dcj h THR 29 Ca 0.14 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1dcj h THR 29 Cb -0.06 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1dcj h THR 29 CO -0.03 0.20 -0.43 0.58 0.37 0.00 0.00 175.52 176.20 1dcj h VAL 30 N 0.46 1.19 0.00 3.16 2.07 0.27 1.07 116.25 124.46 1dcj h VAL 30 Ca 0.11 -1.55 -0.17 0.00 0.82 0.00 0.00 66.70 65.91 1dcj h VAL 30 Cb 0.20 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1dcj h VAL 30 CO -0.00 0.43 -0.81 0.03 0.02 0.00 0.00 177.57 177.23 1dcj h ARG 31 N 0.00 0.00 -0.06 1.57 3.08 0.28 -3.10 114.38 116.16 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 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1dcj h ARG 31 CO 0.06 0.81 0.00 0.27 -1.07 0.00 0.00 179.97 180.04 1dcj n ASN 32 N -3.51 2.91 -4.55 7.04 0.23 0.35 -4.95 115.26 112.78 1dcj n ASN 32 Ca -0.00 -1.94 -0.25 0.00 -0.53 0.00 0.00 54.58 51.86 1dcj n ASN 32 Cb 0.80 -0.02 0.13 0.00 -2.08 0.00 0.00 39.78 38.61 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 -1.84 1.41 0.03 -3.83 -1.94 0.36 -5.03 119.30 108.46 1dcj s MET 33 Ca 0.27 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1dcj s MET 33 Cb 0.19 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 1dcj s MET 33 CO 0.28 -1.68 -0.04 -0.65 -0.01 0.00 0.00 175.02 172.92 1dcj s GLN 34 N -5.28 0.44 -0.14 2.03 1.11 -1.26 -4.96 119.66 111.60 1dcj s GLN 34 Ca 0.69 -0.80 -0.29 0.00 0.01 0.00 0.00 55.36 54.96 1dcj s GLN 34 Cb -0.04 0.04 -0.03 0.00 -1.01 0.00 0.00 33.01 31.96 1dcj s GLN 34 CO 0.46 -0.04 1.53 -1.25 0.01 0.00 0.00 175.29 176.00 1dcj s PRO 35 N -2.12 4.06 0.00 2.91 0.04 -1.26 -2.42 135.00 136.21 1dcj s PRO 35 Ca -0.09 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1dcj s PRO 35 Cb -0.05 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1dcj s PRO 35 CO -0.03 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1dcj n GLY 36 N 4.17 1.62 2.00 0.56 0.00 -0.01 -4.90 105.19 108.63 1dcj n GLY 36 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.81 1.16 -4.07 1.61 4.71 -1.01 -4.97 120.64 117.25 1dcj n GLU 37 Ca 0.00 -2.04 -0.10 0.00 -0.01 0.00 0.00 57.16 55.01 1dcj n GLU 37 Cb 0.00 0.69 -0.11 0.00 -1.01 0.00 0.00 31.44 31.01 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 -2.13 0.40 -0.12 2.62 -4.23 -1.26 -1.59 115.64 109.33 1dcj s THR 38 Ca 0.03 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1dcj s THR 38 Cb 0.00 -0.90 0.06 0.00 1.34 0.00 0.00 72.50 73.01 1dcj s THR 38 CO 0.02 -0.62 0.17 -0.22 -0.54 0.00 0.00 174.62 173.43 1dcj s LEU 39 N -2.08 -0.04 0.14 4.79 2.96 -0.92 -1.45 118.68 122.09 1dcj s LEU 39 Ca -0.04 0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.77 1dcj s LEU 39 Cb -0.04 0.24 -0.07 0.00 0.50 0.00 0.00 46.19 46.82 1dcj s LEU 39 CO -0.03 -0.28 0.63 -0.22 -1.32 0.00 0.00 176.35 175.14 1dcj s LEU 40 N 2.28 4.44 0.06 -0.68 2.96 -0.26 -0.92 118.68 126.57 1dcj s LEU 40 Ca 0.04 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 1dcj s LEU 40 Cb -0.13 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1dcj s LEU 40 CO -0.08 0.16 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.40 1dcj s ILE 41 N -1.31 0.67 0.19 6.68 1.01 -0.74 -0.14 121.20 127.55 1dcj s ILE 41 Ca 0.36 -1.38 0.07 0.00 0.00 0.00 0.00 60.65 59.70 1dcj s ILE 41 Cb -0.18 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1dcj s ILE 41 CO 0.20 -0.52 -0.13 -0.63 0.00 0.00 0.00 174.94 173.86 1dcj s ILE 42 N -2.07 1.58 -0.28 2.92 1.01 0.14 -1.20 121.20 123.29 1dcj s ILE 42 Ca -0.02 -2.16 -0.16 0.00 0.00 0.00 0.00 60.65 58.32 1dcj s ILE 42 Cb -0.05 -1.98 0.11 0.00 0.01 0.00 0.00 42.46 40.55 1dcj s ILE 42 CO -0.01 -0.63 0.80 0.00 0.00 0.00 0.00 174.94 175.10 1dcj s ALA 43 N -3.03 -2.05 -0.08 9.38 0.00 0.08 -0.32 121.76 125.74 1dcj s ALA 43 Ca 0.20 2.34 0.16 0.00 0.00 0.00 0.00 51.96 54.66 1dcj s ALA 43 Cb -0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 23.12 21.33 1dcj s ALA 43 CO 0.05 -0.41 0.24 -0.40 0.00 0.00 0.00 175.76 175.24 1dcj n ASP 44 N 4.17 1.19 -4.76 0.00 5.68 -0.98 -0.25 116.55 121.59 1dcj n ASP 44 Ca -0.19 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.71 1dcj n ASP 44 Cb 0.58 1.39 0.02 0.00 -1.14 0.00 0.00 41.12 41.97 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 -4.33 5.85 0.42 -1.12 2.15 -1.23 -4.87 116.67 113.54 1dcj s ASP 45 Ca -0.07 2.87 0.26 0.00 0.43 0.00 0.00 52.55 56.04 1dcj s ASP 45 Cb 0.08 -2.65 0.64 0.00 -0.30 0.00 0.00 42.92 40.69 1dcj s ASP 45 CO 0.67 -1.19 1.71 1.55 -0.17 0.00 0.00 175.17 177.74 1dcj h PRO 46 N 2.26 0.00 -0.01 4.34 0.13 -1.91 -3.05 132.00 133.76 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 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 -2.04 2.80 0.01 -0.56 0.00 -1.26 -4.06 120.51 115.40 1dcj n ALA 47 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.83 1dcj n ALA 47 Cb 0.46 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 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 1.83 1.00 -0.60 0.00 1.35 -1.85 -0.76 112.91 113.87 1dcj h THR 48 Ca 0.00 -2.39 0.17 0.00 -0.55 0.00 0.00 66.41 63.63 1dcj h THR 48 Cb 0.50 2.69 -0.03 0.00 -1.73 0.00 0.00 68.15 69.59 1dcj h THR 48 CO 0.00 0.71 0.43 0.71 -0.25 0.00 0.00 175.52 177.12 1dcj h THR 49 N -0.28 0.72 0.03 6.82 1.35 -1.71 0.53 112.91 120.36 1dcj h THR 49 Ca -0.31 -0.01 -0.37 0.00 -0.55 0.00 0.00 66.41 65.16 1dcj h THR 49 Cb 1.78 0.67 -0.06 0.00 -1.73 0.00 0.00 68.15 68.81 1dcj h THR 49 CO 0.06 0.01 -2.30 0.54 -0.25 0.00 0.00 175.52 173.58 1dcj n ARG 50 N -4.37 0.68 -0.04 4.72 1.74 -1.24 -4.45 116.66 113.69 1dcj n ARG 50 Ca 0.11 0.16 -0.22 0.00 -0.77 0.00 0.00 57.85 57.14 1dcj n ARG 50 Cb 0.65 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.31 0.55 3.32 -0.73 -2.83 116.42 116.65 1dcj h ASP 51 Ca -0.52 -0.74 0.06 0.00 0.02 0.00 0.00 57.03 55.85 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 1.64 -0.03 0.40 -1.72 0.00 0.00 179.24 179.52 1dcj h ILE 52 N -0.49 0.75 0.01 0.35 2.04 -1.06 0.70 117.51 119.81 1dcj h ILE 52 Ca -0.37 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1dcj h ILE 52 Cb 1.65 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1dcj h ILE 52 CO -0.05 0.01 -0.00 1.55 0.00 0.00 0.00 178.15 179.65 1dcj h PRO 53 N 0.06 -0.01 -0.46 2.37 0.13 -1.76 -2.46 132.00 129.86 1dcj h PRO 53 Ca 0.15 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.41 1dcj h PRO 53 Cb 0.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 1dcj h PRO 53 CO -0.27 0.66 0.62 0.78 -0.23 0.00 0.00 178.00 179.56 1dcj h GLY 54 N -0.70 0.00 0.14 1.56 0.00 -1.32 0.19 103.07 102.94 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 -0.86 5.60 3.57 -0.56 -2.96 116.94 121.69 1dcj h PHE 55 Ca 0.22 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.83 1dcj h PHE 55 Cb 1.46 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.15 1dcj h PHE 55 CO 0.00 0.59 0.55 0.00 -2.23 0.00 0.00 178.31 177.22 1dcj h THR 57 N 0.75 1.23 0.00 0.00 2.02 -1.24 0.21 112.91 115.88 1dcj h THR 57 Ca 0.41 -1.05 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 1dcj h THR 57 Cb 0.55 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1dcj h THR 57 CO -0.17 0.32 -0.70 0.15 0.37 0.00 0.00 175.52 175.49 1dcj h PHE 58 N 0.26 0.00 -0.21 3.16 3.04 -0.64 -3.11 116.94 119.43 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 0.53 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1dcj h PHE 58 CO 0.01 0.70 0.00 -1.33 -2.02 0.00 0.00 178.31 175.67 1dcj n MET 59 N -3.64 1.67 -1.09 1.11 2.81 -0.84 -4.87 117.12 112.26 1dcj n MET 59 Ca -0.01 -1.02 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 1dcj n MET 59 Cb 0.70 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 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 0.27 0.00 -2.82 0.03 2.13 -1.17 -4.80 120.64 114.29 1dcj n GLU 60 Ca 0.14 0.24 -0.20 0.00 0.66 0.00 0.00 57.16 58.00 1dcj n GLU 60 Cb 0.28 -3.01 0.05 0.00 0.27 0.00 0.00 31.44 29.03 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1dcj s HIS 61 N -2.00 2.27 -0.01 4.31 3.76 0.04 -2.78 115.29 120.87 1dcj s HIS 61 Ca 0.00 -0.33 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 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 -0.98 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.48 1dcj s GLU 62 N -4.70 1.72 -0.67 1.40 2.02 -0.75 -4.38 118.70 113.34 1dcj s GLU 62 Ca 0.59 -0.81 -0.25 0.00 0.02 0.00 0.00 54.97 54.52 1dcj s GLU 62 Cb -0.08 -1.69 0.04 0.00 0.10 0.00 0.00 34.13 32.50 1dcj s GLU 62 CO 0.38 0.46 1.12 -1.17 0.02 0.00 0.00 175.26 176.08 1dcj s LEU 63 N -0.63 3.71 -0.01 1.80 2.96 -1.26 0.53 118.68 125.77 1dcj s LEU 63 Ca 0.08 -0.54 -0.24 0.00 -0.22 0.00 0.00 54.13 53.21 1dcj s LEU 63 Cb -0.08 -2.62 -0.19 0.00 0.50 0.00 0.00 46.19 43.79 1dcj s LEU 63 CO -0.00 -1.59 1.23 0.58 -1.32 0.00 0.00 176.35 175.25 1dcj h VAL 64 N 6.03 1.42 -2.90 1.68 2.07 -0.62 -3.46 116.25 120.46 1dcj h VAL 64 Ca -0.28 -1.37 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 1dcj h VAL 64 Cb 1.06 2.22 -0.29 0.00 -1.52 0.00 0.00 31.29 32.77 1dcj h VAL 64 CO 1.21 0.37 -0.42 0.00 0.02 0.00 0.00 177.57 178.76 1dcj s ALA 65 N -4.01 -0.72 0.28 1.67 0.00 -1.17 -4.90 121.76 112.91 1dcj s ALA 65 Ca -0.15 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.01 1dcj s ALA 65 Cb 0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1dcj s ALA 65 CO 0.71 -0.22 0.42 0.15 0.00 0.00 0.00 175.76 176.82 1dcj s LYS 66 N 1.27 3.39 -0.16 0.00 3.01 -1.26 0.72 119.74 126.70 1dcj s LYS 66 Ca -0.09 -0.71 -0.04 0.00 -1.01 0.00 0.00 55.97 54.12 1dcj s LYS 66 Cb -0.09 -2.83 0.05 0.00 -1.01 0.00 0.00 37.83 33.95 1dcj s LYS 66 CO -0.10 0.30 0.07 -1.21 0.51 0.00 0.00 175.35 174.92 1dcj s GLU 67 N -4.09 0.22 -0.10 1.68 0.41 0.54 -4.88 118.70 112.48 1dcj s GLU 67 Ca 0.37 -0.10 0.23 0.00 -0.41 0.00 0.00 54.97 55.06 1dcj s GLU 67 Cb -0.09 -1.70 0.45 0.00 -1.78 0.00 0.00 34.13 31.01 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 5.22 0.66 1.88 3.63 -2.24 -1.26 -1.54 114.28 120.62 1dcj n THR 68 Ca -0.07 -1.84 0.07 0.00 -2.27 0.00 0.00 64.05 59.93 1dcj n THR 68 Cb 0.49 0.84 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 0.01 0.00 0.00 3.42 8.00 -1.26 -4.85 116.55 121.87 1dcj n ASP 69 Ca 0.09 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1dcj n ASP 69 Cb 1.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 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 0.63 3.93 2.55 0.44 0.00 -1.26 -5.09 105.19 106.39 1dcj n GLY 70 Ca 0.10 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.18 -4.81 0.99 4.77 -1.26 -4.45 117.00 110.05 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 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 1dcj n LEU 71 CO 0.00 -3.22 0.59 -2.16 -1.33 0.00 0.00 177.39 171.27 1dcj s PRO 72 N -0.77 4.29 0.86 3.23 0.04 -1.26 -5.13 135.00 136.26 1dcj s PRO 72 Ca 0.46 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 1dcj s PRO 72 Cb -0.50 -2.45 0.11 0.00 0.04 0.00 0.00 34.50 31.69 1dcj s PRO 72 CO 0.48 0.12 1.09 0.71 0.04 0.00 0.00 177.00 179.45 1dcj s TYR 73 N -1.93 2.50 0.01 0.56 2.02 0.66 -4.73 117.35 116.43 1dcj s TYR 73 Ca 0.56 1.21 -0.12 0.00 -0.37 0.00 0.00 57.07 58.35 1dcj s TYR 73 Cb -0.12 -3.15 0.01 0.00 -0.40 0.00 0.00 41.96 38.29 1dcj s TYR 73 CO 0.17 -2.17 0.24 1.03 -1.57 0.00 0.00 175.55 173.25 1dcj s ARG 74 N -5.02 0.64 -0.20 -0.62 0.52 -0.59 -0.74 118.95 112.95 1dcj s ARG 74 Ca 0.62 -0.38 -0.09 0.00 -0.52 0.00 0.00 55.73 55.37 1dcj s ARG 74 Cb -0.17 0.28 0.08 0.00 0.52 0.00 0.00 34.95 35.66 1dcj s ARG 74 CO 0.56 -0.18 0.44 0.71 0.02 0.00 0.00 175.30 176.85 1dcj s TYR 75 N -1.76 -0.77 0.31 -0.53 2.02 -0.34 0.20 117.35 116.48 1dcj s TYR 75 Ca -0.11 1.51 -0.10 0.00 -0.37 0.00 0.00 57.07 58.00 1dcj s TYR 75 Cb -0.04 0.33 -0.07 0.00 -0.40 0.00 0.00 41.96 41.78 1dcj s TYR 75 CO 0.01 -0.44 0.65 -1.17 -1.57 0.00 0.00 175.55 173.03 1dcj s LEU 76 N 2.09 4.03 -0.21 -1.29 2.96 0.22 -1.79 118.68 124.69 1dcj s LEU 76 Ca -0.05 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.83 1dcj s LEU 76 Cb -0.10 -3.82 0.09 0.00 0.50 0.00 0.00 46.19 42.86 1dcj s LEU 76 CO -0.14 -0.22 0.20 -0.63 -1.32 0.00 0.00 176.35 174.25 1dcj s ILE 77 N -2.06 -0.27 -0.44 6.68 1.01 -0.10 0.13 121.20 126.16 1dcj s ILE 77 Ca 0.49 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 1dcj s ILE 77 Cb -0.11 -0.72 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 1dcj s ILE 77 CO 0.25 -0.29 1.60 -0.60 0.00 0.00 0.00 174.94 175.91 1dcj s ARG 78 N 2.28 3.31 0.38 2.79 3.52 0.19 -2.16 118.95 129.27 1dcj s ARG 78 Ca 0.06 0.97 -0.26 0.00 -0.13 0.00 0.00 55.73 56.38 1dcj s ARG 78 Cb -0.16 -4.15 -0.11 0.00 -1.56 0.00 0.00 34.95 28.97 1dcj s ARG 78 CO -0.16 -1.89 1.12 1.17 -0.81 0.00 0.00 175.30 174.73 1dcj n LYS 79 N 8.45 1.64 -2.24 5.12 3.00 -0.62 -1.80 118.16 131.70 1dcj n LYS 79 Ca 0.18 0.58 -0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1dcj n LYS 79 Cb 0.48 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 33.38 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 1.02 0.87 1.66 3.14 0.00 -1.26 -0.83 105.19 109.79 1dcj n GLY 80 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93