#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 3.08 -0.08 2.03 -1.32 -1.26 -4.94 115.64 113.15 1dcj s THR 2 Ca 0.00 0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.58 1dcj s THR 2 Cb 0.00 -3.13 -0.02 0.00 -1.51 0.00 0.00 72.50 67.84 1dcj s THR 2 CO 0.00 -0.09 -0.13 -1.81 -2.21 0.00 0.00 174.62 170.37 1dcj s ASP 3 N 8.66 4.05 0.00 8.08 1.01 -1.26 -4.98 116.67 132.23 1dcj s ASP 3 Ca 0.96 -0.24 0.20 0.00 0.71 0.00 0.00 52.55 54.18 1dcj s ASP 3 Cb -0.28 -1.17 1.11 0.00 1.01 0.00 0.00 42.92 43.58 1dcj s ASP 3 CO 0.33 0.27 1.61 0.18 0.21 0.00 0.00 175.17 177.77 1dcj n LEU 4 N 2.81 0.00 -0.82 1.23 4.77 -1.26 -2.69 117.00 121.04 1dcj n LEU 4 Ca -0.18 0.14 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1dcj n LEU 4 Cb 0.52 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.60 1dcj n LEU 4 CO 0.28 -0.05 0.51 0.49 -1.33 0.00 0.00 177.39 177.29 1dcj n PHE 5 N -1.14 0.60 -0.72 -1.77 3.01 -1.26 -4.82 117.46 111.36 1dcj n PHE 5 Ca 0.12 -0.23 -0.23 0.00 1.01 0.00 0.00 57.45 58.13 1dcj n PHE 5 Cb 0.11 -0.16 0.09 0.00 -0.01 0.00 0.00 39.48 39.51 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 0.23 -2.68 -4.46 4.37 7.64 -1.09 -4.39 113.62 113.25 1dcj n SER 6 Ca 0.09 -0.16 -0.46 0.00 1.01 0.00 0.00 58.87 59.36 1dcj n SER 6 Cb 0.46 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.88 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 0.72 1.27 -4.43 6.43 3.41 -1.26 -4.88 113.62 114.88 1dcj n SER 7 Ca 0.02 0.18 -0.29 0.00 -0.26 0.00 0.00 58.87 58.51 1dcj n SER 7 Cb 0.44 -1.15 0.17 0.00 -0.26 0.00 0.00 64.21 63.41 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 7.64 0.58 0.18 4.33 0.04 -1.26 -4.98 135.00 141.52 1dcj s PRO 8 Ca 1.19 0.03 0.20 0.00 0.04 0.00 0.00 61.00 62.45 1dcj s PRO 8 Cb -0.97 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1dcj s PRO 8 CO 0.47 -2.53 1.06 -0.44 0.04 0.00 0.00 177.00 175.60 1dcj h ASP 9 N -1.73 0.00 -5.60 6.66 3.32 -1.69 -3.48 116.42 113.89 1dcj h ASP 9 Ca -0.48 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.30 1dcj h ASP 9 Cb 1.30 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.73 1dcj h ASP 9 CO 0.50 0.27 -0.42 -1.00 -1.72 0.00 0.00 179.24 176.87 1dcj s HIS 10 N -3.14 1.17 0.09 4.55 3.76 -0.61 -4.98 115.29 116.13 1dcj s HIS 10 Ca -0.00 -1.34 -0.07 0.00 -0.15 0.00 0.00 55.06 53.50 1dcj s HIS 10 Cb 0.09 -0.39 -0.01 0.00 1.11 0.00 0.00 32.58 33.38 1dcj s HIS 10 CO 0.78 -0.86 0.15 0.99 -0.85 0.00 0.00 174.74 174.96 1dcj s THR 11 N -3.72 0.15 -0.21 1.30 2.01 -1.26 -1.25 115.64 112.66 1dcj s THR 11 Ca 0.35 -1.35 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 1dcj s THR 11 Cb 0.03 -1.45 0.11 0.00 0.01 0.00 0.00 72.50 71.20 1dcj s THR 11 CO 0.17 -0.67 0.31 -0.22 -0.69 0.00 0.00 174.62 173.52 1dcj s LEU 12 N -2.89 -0.40 0.21 4.42 2.96 0.84 -4.87 118.68 118.94 1dcj s LEU 12 Ca 0.07 0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 53.87 1dcj s LEU 12 Cb 0.05 0.82 -0.09 0.00 0.50 0.00 0.00 46.19 47.48 1dcj s LEU 12 CO -0.09 -0.30 0.86 -0.62 -1.32 0.00 0.00 176.35 174.88 1dcj s ASP 13 N 2.46 7.49 0.00 3.68 -1.08 -1.26 -0.74 116.67 127.22 1dcj s ASP 13 Ca 0.08 1.78 0.00 0.00 -0.52 0.00 0.00 52.55 53.90 1dcj s ASP 13 Cb -0.15 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.77 1dcj s ASP 13 CO -0.13 0.17 0.91 0.00 0.52 0.00 0.00 175.17 176.64 1dcj n ALA 14 N 1.46 2.01 -2.60 3.66 0.00 0.19 -4.83 120.51 120.40 1dcj n ALA 14 Ca -0.04 -0.84 -0.43 0.00 0.00 0.00 0.00 53.44 52.14 1dcj n ALA 14 Cb 0.48 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 3.74 0.00 0.00 1.43 -1.26 -1.86 118.68 120.73 1dcj s LEU 15 Ca 0.01 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1dcj s LEU 15 Cb 0.01 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1dcj s LEU 15 CO -0.00 -1.33 0.00 0.61 0.23 0.00 0.00 176.35 175.85 1dcj n GLY 16 N 5.05 0.48 3.90 -3.19 0.00 -1.26 -4.81 105.19 105.36 1dcj n GLY 16 Ca 0.06 0.00 -0.31 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 4.29 -0.00 0.99 1.43 -0.78 -4.98 118.68 119.63 1dcj s LEU 17 Ca 0.00 0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.56 1dcj s LEU 17 Cb 0.00 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.00 1dcj s LEU 17 CO 0.00 0.08 0.09 0.00 0.23 0.00 0.00 176.35 176.76 1dcj s ARG 18 N -2.61 0.39 0.32 1.70 1.70 -1.26 -4.08 118.95 115.10 1dcj s ARG 18 Ca 0.39 -0.36 -0.26 0.00 -0.47 0.00 0.00 55.73 55.03 1dcj s ARG 18 Cb -0.12 0.16 -0.14 0.00 -0.57 0.00 0.00 34.95 34.27 1dcj s ARG 18 CO 0.25 -0.08 0.80 0.00 -1.08 0.00 0.00 175.30 175.19 1dcj n PRO 20 N 0.70 1.64 -0.18 0.00 -0.04 -1.26 -4.91 135.00 130.95 1dcj n PRO 20 Ca 0.12 -0.95 -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 32.47 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 1.99 0.24 0.40 0.54 5.08 -0.74 0.55 114.58 122.64 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 0.43 -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 -0.19 -1.00 -1.00 0.00 0.00 179.01 176.98 1dcj h PRO 22 N 0.25 -0.52 -0.70 2.33 0.13 -1.87 -0.74 132.00 130.88 1dcj h PRO 22 Ca 0.28 0.04 0.20 0.00 -0.87 0.00 0.00 66.00 65.65 1dcj h PRO 22 Cb 0.40 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 1dcj h PRO 22 CO -0.36 -0.35 0.76 0.28 -0.23 0.00 0.00 178.00 178.10 1dcj h VAL 23 N -0.92 0.22 -0.04 1.56 2.07 -1.87 0.60 116.25 117.88 1dcj h VAL 23 Ca -0.06 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 1dcj h VAL 23 Cb 0.41 0.39 0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1dcj h VAL 23 CO 0.09 0.00 -0.80 0.24 0.02 0.00 0.00 177.57 177.12 1dcj h MET 24 N 0.00 0.60 -0.61 1.57 2.86 0.64 -2.82 114.93 117.17 1dcj h MET 24 Ca 0.33 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1dcj h MET 24 Cb 1.86 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 33.65 1dcj h MET 24 CO -0.00 1.21 0.39 0.52 1.06 0.00 0.00 176.91 180.09 1dcj h MET 25 N 0.22 0.81 0.00 1.72 2.86 0.17 -0.28 114.93 120.43 1dcj h MET 25 Ca -0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1dcj h MET 25 Cb 1.47 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 1dcj h MET 25 CO 0.16 0.55 -0.12 0.28 1.06 0.00 0.00 176.91 178.85 1dcj h VAL 26 N 0.82 0.99 0.33 -2.22 2.07 -1.47 -0.46 116.25 116.32 1dcj h VAL 26 Ca 0.22 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1dcj h VAL 26 Cb -0.07 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1dcj h VAL 26 CO -0.05 0.11 -0.16 0.03 0.02 0.00 0.00 177.57 177.53 1dcj h ARG 27 N 0.00 -0.43 -0.32 1.57 2.47 -0.80 0.71 114.38 117.58 1dcj h ARG 27 Ca -0.00 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1dcj h ARG 27 Cb 0.22 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 1dcj h ARG 27 CO 0.02 -0.11 0.07 1.57 0.56 0.00 0.00 179.97 182.08 1dcj h LYS 28 N -0.82 0.46 -0.11 0.04 2.10 -1.16 0.45 116.57 117.53 1dcj h LYS 28 Ca -0.05 -0.07 -0.16 0.00 -2.00 0.00 0.00 60.65 58.38 1dcj h LYS 28 Cb 0.52 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1dcj h LYS 28 CO 0.08 0.43 -0.61 1.15 -2.00 0.00 0.00 179.45 178.49 1dcj h THR 29 N 0.45 1.36 0.00 0.07 2.02 -1.01 0.67 112.91 116.48 1dcj h THR 29 Ca 0.11 -1.95 -0.09 0.00 0.77 0.00 0.00 66.41 65.25 1dcj h THR 29 Cb 0.18 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1dcj h THR 29 CO -0.00 0.59 -0.41 0.58 0.37 0.00 0.00 175.52 176.64 1dcj h VAL 30 N 0.28 1.20 0.01 3.16 2.07 0.27 1.05 116.25 124.28 1dcj h VAL 30 Ca -0.01 -1.46 -0.20 0.00 0.82 0.00 0.00 66.70 65.86 1dcj h VAL 30 Cb 1.14 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1dcj h VAL 30 CO 0.10 0.40 -0.94 0.03 0.02 0.00 0.00 177.57 177.19 1dcj h ARG 31 N 0.00 0.04 -0.03 1.57 3.08 0.56 -3.15 114.38 116.45 1dcj h ARG 31 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1dcj h ARG 31 Cb 0.77 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1dcj h ARG 31 CO 0.05 0.95 0.00 0.27 -1.07 0.00 0.00 179.97 180.17 1dcj n ASN 32 N -3.47 2.86 -4.32 7.04 0.23 0.15 -4.94 115.26 112.81 1dcj n ASN 32 Ca -0.01 -1.95 -0.26 0.00 -0.53 0.00 0.00 54.58 51.83 1dcj n ASN 32 Cb 0.88 -0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.73 1dcj n ASN 32 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1dcj n MET 33 N 1.24 -0.61 -4.08 -3.83 2.81 0.36 -5.03 117.12 107.97 1dcj n MET 33 Ca 0.15 -2.49 -0.11 0.00 -1.81 0.00 0.00 57.70 53.43 1dcj n MET 33 Cb 0.58 -0.97 -0.11 0.00 -0.71 0.00 0.00 33.22 32.01 1dcj n MET 33 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1dcj s GLN 34 N -5.48 0.58 -0.10 0.03 -0.21 -1.26 -4.97 119.66 108.25 1dcj s GLN 34 Ca 0.71 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.87 1dcj s GLN 34 Cb -0.03 -0.16 -0.04 0.00 1.00 0.00 0.00 33.01 33.78 1dcj s GLN 34 CO 0.48 0.00 1.49 -1.25 -2.12 0.00 0.00 175.29 173.89 1dcj s PRO 35 N -2.37 4.20 0.00 2.91 0.04 -1.26 -2.34 135.00 136.19 1dcj s PRO 35 Ca -0.04 1.97 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1dcj s PRO 35 Cb -0.04 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1dcj s PRO 35 CO -0.02 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1dcj n GLY 36 N 3.91 1.68 1.66 0.56 0.00 -0.24 -4.95 105.19 107.81 1dcj n GLY 36 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.18 1.24 -4.03 1.61 4.71 -0.99 -4.96 120.64 117.05 1dcj n GLU 37 Ca 0.00 -1.70 -0.08 0.00 -0.01 0.00 0.00 57.16 55.37 1dcj n GLU 37 Cb 0.00 0.58 -0.11 0.00 -1.01 0.00 0.00 31.44 30.91 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 -1.97 0.17 -0.09 2.62 -4.23 -1.26 -1.50 115.64 109.37 1dcj s THR 38 Ca 0.03 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.23 1dcj s THR 38 Cb 0.00 -0.78 0.05 0.00 1.34 0.00 0.00 72.50 73.11 1dcj s THR 38 CO 0.02 -0.70 0.12 -0.22 -0.54 0.00 0.00 174.62 173.30 1dcj s LEU 39 N -2.06 0.06 0.13 4.79 2.96 -0.89 -1.58 118.68 122.10 1dcj s LEU 39 Ca -0.06 0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 53.70 1dcj s LEU 39 Cb -0.03 0.07 -0.07 0.00 0.50 0.00 0.00 46.19 46.66 1dcj s LEU 39 CO -0.05 -0.27 0.64 -0.22 -1.32 0.00 0.00 176.35 175.14 1dcj s LEU 40 N 2.23 4.48 0.05 -0.68 2.96 -0.38 -0.82 118.68 126.52 1dcj s LEU 40 Ca 0.04 1.36 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 1dcj s LEU 40 Cb -0.13 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1dcj s LEU 40 CO -0.06 0.19 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.47 1dcj s ILE 41 N -1.25 0.45 0.23 6.68 1.01 -0.80 -0.11 121.20 127.41 1dcj s ILE 41 Ca 0.34 -1.27 0.06 0.00 0.00 0.00 0.00 60.65 59.78 1dcj s ILE 41 Cb -0.19 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1dcj s ILE 41 CO 0.21 -0.56 -0.07 -0.63 0.00 0.00 0.00 174.94 173.90 1dcj s ILE 42 N -2.05 1.43 -0.28 2.92 1.01 0.08 -1.07 121.20 123.23 1dcj s ILE 42 Ca -0.06 -2.11 -0.16 0.00 0.00 0.00 0.00 60.65 58.33 1dcj s ILE 42 Cb -0.05 -2.26 0.11 0.00 0.01 0.00 0.00 42.46 40.27 1dcj s ILE 42 CO -0.02 -0.43 0.82 0.00 0.00 0.00 0.00 174.94 175.32 1dcj s ALA 43 N -3.16 -2.07 -0.13 9.38 0.00 0.41 -0.64 121.76 125.56 1dcj s ALA 43 Ca 0.26 2.32 0.16 0.00 0.00 0.00 0.00 51.96 54.70 1dcj s ALA 43 Cb 0.03 -1.57 -0.23 0.00 0.00 0.00 0.00 23.12 21.36 1dcj s ALA 43 CO 0.08 -0.38 0.15 -0.40 0.00 0.00 0.00 175.76 175.21 1dcj n ASP 44 N 4.08 0.84 -4.77 0.00 5.68 -0.87 -0.15 116.55 121.36 1dcj n ASP 44 Ca -0.19 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.69 1dcj n ASP 44 Cb 0.58 1.17 0.01 0.00 -1.14 0.00 0.00 41.12 41.74 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 -4.80 6.12 0.41 -1.12 2.15 -1.23 -4.87 116.67 113.34 1dcj s ASP 45 Ca -0.08 3.00 0.26 0.00 0.43 0.00 0.00 52.55 56.16 1dcj s ASP 45 Cb 0.07 -2.66 0.65 0.00 -0.30 0.00 0.00 42.92 40.68 1dcj s ASP 45 CO 0.71 -1.02 1.72 1.55 -0.17 0.00 0.00 175.17 177.96 1dcj h PRO 46 N 2.69 0.00 -0.01 4.34 0.13 -1.91 -3.03 132.00 134.21 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 -0.13 0.00 -0.23 0.00 0.00 178.00 178.27 1dcj n ALA 47 N -2.02 2.83 0.04 -0.56 0.00 -1.26 -3.98 120.51 115.56 1dcj n ALA 47 Ca 0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1dcj n ALA 47 Cb 0.45 -1.17 -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 1.61 0.77 -0.38 0.00 1.35 -1.86 -0.76 112.91 113.64 1dcj h THR 48 Ca 0.00 -2.42 0.08 0.00 -0.55 0.00 0.00 66.41 63.52 1dcj h THR 48 Cb 0.48 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.51 1dcj h THR 48 CO 0.00 0.89 0.27 0.71 -0.25 0.00 0.00 175.52 177.13 1dcj h THR 49 N 0.09 0.89 0.03 6.82 1.35 -1.69 0.33 112.91 120.72 1dcj h THR 49 Ca -0.39 -0.05 -0.37 0.00 -0.55 0.00 0.00 66.41 65.05 1dcj h THR 49 Cb 2.07 0.71 -0.05 0.00 -1.73 0.00 0.00 68.15 69.15 1dcj h THR 49 CO 0.13 0.03 -2.28 0.54 -0.25 0.00 0.00 175.52 173.69 1dcj n ARG 50 N -4.46 0.68 -0.04 4.72 5.12 -1.25 -4.44 116.66 117.00 1dcj n ARG 50 Ca 0.05 0.17 -0.21 0.00 -1.93 0.00 0.00 57.85 55.93 1dcj n ARG 50 Cb 0.34 -1.59 -0.13 0.00 -1.16 0.00 0.00 32.46 29.92 1dcj n ARG 50 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1dcj h ASP 51 N 0.02 0.23 -0.43 0.55 5.19 -0.90 -2.90 116.42 118.18 1dcj h ASP 51 Ca -0.51 -0.77 0.07 0.00 -0.62 0.00 0.00 57.03 55.21 1dcj h ASP 51 Cb 2.00 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 41.37 1dcj h ASP 51 CO -0.01 1.56 0.05 0.40 -3.12 0.00 0.00 179.24 178.11 1dcj h ILE 52 N -0.54 0.73 0.03 0.35 2.04 -1.09 0.24 117.51 119.26 1dcj h ILE 52 Ca -0.31 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1dcj h ILE 52 Cb 1.58 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1dcj h ILE 52 CO -0.03 0.03 -0.01 1.55 0.00 0.00 0.00 178.15 179.68 1dcj h PRO 53 N 0.17 -0.04 -0.59 2.37 0.13 -1.75 -2.41 132.00 129.88 1dcj h PRO 53 Ca 0.21 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.52 1dcj h PRO 53 Cb 0.29 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 1dcj h PRO 53 CO -0.31 0.57 0.68 0.78 -0.23 0.00 0.00 178.00 179.49 1dcj h GLY 54 N -0.69 0.00 0.19 1.56 0.00 -1.28 0.28 103.07 103.12 1dcj h GLY 54 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1dcj h GLY 54 CO 0.01 0.00 -0.02 -2.75 0.00 0.00 0.00 176.54 173.77 1dcj h PHE 55 N 0.00 -0.06 -0.99 5.60 3.57 -0.64 -3.01 116.94 121.42 1dcj h PHE 55 Ca 0.28 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.91 1dcj h PHE 55 Cb 1.64 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 40.31 1dcj h PHE 55 CO 0.00 0.58 0.62 0.00 -2.23 0.00 0.00 178.31 177.28 1dcj h THR 57 N 0.93 1.14 -0.24 0.00 2.02 -1.26 -0.36 112.91 115.14 1dcj h THR 57 Ca 0.50 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 67.06 1dcj h THR 57 Cb 0.57 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1dcj h THR 57 CO -0.27 0.17 -0.48 0.15 0.37 0.00 0.00 175.52 175.46 1dcj h PHE 58 N 0.45 0.77 -0.12 3.16 3.04 -0.55 -3.00 116.94 120.70 1dcj h PHE 58 Ca 0.11 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.81 1dcj h PHE 58 Cb 0.14 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1dcj h PHE 58 CO 0.00 0.99 0.00 -1.33 -2.02 0.00 0.00 178.31 175.95 1dcj n MET 59 N -4.00 1.37 -1.44 1.11 2.81 -0.94 -4.87 117.12 111.17 1dcj n MET 59 Ca -0.03 -0.57 0.00 0.00 -1.81 0.00 0.00 57.70 55.30 1dcj n MET 59 Cb 0.57 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 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 -0.14 0.00 -2.83 0.03 1.02 -1.12 -4.84 120.64 112.77 1dcj n GLU 60 Ca 0.11 0.17 -0.20 0.00 -0.02 0.00 0.00 57.16 57.21 1dcj n GLU 60 Cb 0.17 -3.28 0.05 0.00 -0.02 0.00 0.00 31.44 28.36 1dcj n GLU 60 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1dcj s HIS 61 N -2.00 2.21 -0.00 -0.32 3.76 -0.18 -2.09 115.29 116.67 1dcj s HIS 61 Ca 0.00 -0.35 0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1dcj s HIS 61 Cb 0.00 -2.56 -0.02 0.00 1.11 0.00 0.00 32.58 31.11 1dcj s HIS 61 CO 0.00 -1.00 -0.22 -1.21 -0.85 0.00 0.00 174.74 171.46 1dcj s GLU 62 N -4.71 1.73 -0.67 1.40 2.02 -0.61 -4.41 118.70 113.46 1dcj s GLU 62 Ca 0.60 -0.84 -0.25 0.00 0.02 0.00 0.00 54.97 54.50 1dcj s GLU 62 Cb -0.08 -1.72 0.05 0.00 0.10 0.00 0.00 34.13 32.48 1dcj s GLU 62 CO 0.38 0.46 1.09 -1.17 0.02 0.00 0.00 175.26 176.05 1dcj s LEU 63 N -0.69 3.86 -0.01 1.80 2.96 -1.26 0.36 118.68 125.69 1dcj s LEU 63 Ca 0.09 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 53.10 1dcj s LEU 63 Cb -0.09 -2.56 -0.19 0.00 0.50 0.00 0.00 46.19 43.85 1dcj s LEU 63 CO -0.00 -1.56 1.25 0.58 -1.32 0.00 0.00 176.35 175.30 1dcj h VAL 64 N 6.01 1.41 -2.94 1.68 2.07 -0.59 -3.46 116.25 120.44 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 1.06 2.18 -0.29 0.00 -1.52 0.00 0.00 31.29 32.73 1dcj h VAL 64 CO 1.21 0.36 -0.44 0.00 0.02 0.00 0.00 177.57 178.72 1dcj s ALA 65 N -4.09 -0.68 0.29 1.67 0.00 -1.17 -4.89 121.76 112.89 1dcj s ALA 65 Ca -0.15 1.12 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1dcj s ALA 65 Cb 0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1dcj s ALA 65 CO 0.71 -0.21 0.43 0.15 0.00 0.00 0.00 175.76 176.83 1dcj s LYS 66 N 1.26 3.37 -0.15 0.00 3.01 -1.26 0.73 119.74 126.70 1dcj s LYS 66 Ca -0.09 -0.72 -0.04 0.00 -1.01 0.00 0.00 55.97 54.11 1dcj s LYS 66 Cb -0.10 -2.82 0.05 0.00 -1.01 0.00 0.00 37.83 33.96 1dcj s LYS 66 CO -0.09 0.28 0.07 -1.21 0.51 0.00 0.00 175.35 174.90 1dcj s GLU 67 N -4.10 0.22 -0.08 1.68 0.41 0.54 -4.88 118.70 112.49 1dcj s GLU 67 Ca 0.38 -0.09 0.23 0.00 -0.41 0.00 0.00 54.97 55.08 1dcj s GLU 67 Cb -0.09 -1.67 0.44 0.00 -1.78 0.00 0.00 34.13 31.03 1dcj s GLU 67 CO 0.31 -0.60 1.17 0.25 -0.49 0.00 0.00 175.26 175.90 1dcj n THR 68 N 5.22 0.57 1.89 3.63 -2.24 -1.26 -1.56 114.28 120.52 1dcj n THR 68 Ca -0.07 -1.69 0.08 0.00 -2.27 0.00 0.00 64.05 60.10 1dcj n THR 68 Cb 0.49 0.81 0.45 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.09 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.17 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 0.67 3.94 2.55 0.44 0.00 -1.26 -5.09 105.19 106.44 1dcj n GLY 70 Ca 0.11 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.16 -4.81 0.99 4.77 -1.26 -4.45 117.00 110.08 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 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 1dcj n LEU 71 CO 0.00 -3.20 0.59 -2.16 -1.33 0.00 0.00 177.39 171.29 1dcj s PRO 72 N -0.77 4.32 0.88 3.23 0.04 -1.26 -5.12 135.00 136.31 1dcj s PRO 72 Ca 0.46 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 1dcj s PRO 72 Cb -0.50 -2.50 0.12 0.00 0.04 0.00 0.00 34.50 31.65 1dcj s PRO 72 CO 0.48 0.15 1.09 0.71 0.04 0.00 0.00 177.00 179.47 1dcj s TYR 73 N -1.89 2.42 0.02 0.56 2.02 0.79 -4.70 117.35 116.56 1dcj s TYR 73 Ca 0.55 1.24 -0.13 0.00 -0.37 0.00 0.00 57.07 58.36 1dcj s TYR 73 Cb -0.13 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.29 1dcj s TYR 73 CO 0.18 -2.27 0.27 1.03 -1.57 0.00 0.00 175.55 173.20 1dcj s ARG 74 N -4.98 0.72 -0.20 -0.62 0.52 -0.60 -0.44 118.95 113.35 1dcj s ARG 74 Ca 0.63 -0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 55.34 1dcj s ARG 74 Cb -0.17 0.31 0.08 0.00 0.52 0.00 0.00 34.95 35.68 1dcj s ARG 74 CO 0.56 -0.21 0.45 0.71 0.02 0.00 0.00 175.30 176.83 1dcj s TYR 75 N -2.05 -0.76 0.31 -0.53 2.02 -0.24 0.20 117.35 116.31 1dcj s TYR 75 Ca -0.09 1.51 -0.10 0.00 -0.37 0.00 0.00 57.07 58.02 1dcj s TYR 75 Cb -0.03 0.34 -0.07 0.00 -0.40 0.00 0.00 41.96 41.80 1dcj s TYR 75 CO -0.00 -0.43 0.66 -1.17 -1.57 0.00 0.00 175.55 173.03 1dcj s LEU 76 N 1.99 4.03 -0.22 -1.29 2.96 0.23 -1.91 118.68 124.47 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 -0.25 -0.26 6.68 1.01 -0.00 0.18 121.20 126.50 1dcj s ILE 77 Ca 0.49 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 1dcj s ILE 77 Cb -0.11 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1dcj s ILE 77 CO 0.24 -0.33 1.44 -0.60 0.00 0.00 0.00 174.94 175.69 1dcj s ARG 78 N 2.26 3.86 0.34 2.79 3.52 0.16 -2.08 118.95 129.79 1dcj s ARG 78 Ca 0.06 1.44 -0.29 0.00 -0.13 0.00 0.00 55.73 56.81 1dcj s ARG 78 Cb -0.16 -3.95 -0.12 0.00 -1.56 0.00 0.00 34.95 29.17 1dcj s ARG 78 CO -0.18 -1.19 1.44 1.17 -0.81 0.00 0.00 175.30 175.73 1dcj n LYS 79 N 7.46 2.45 -2.44 5.12 4.81 -0.56 -1.57 118.16 133.44 1dcj n LYS 79 Ca 0.17 0.86 0.01 0.00 -0.87 0.00 0.00 58.31 58.48 1dcj n LYS 79 Cb 0.46 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1dcj n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dcj n GLY 80 N 0.99 0.45 0.00 3.14 0.00 -1.26 -1.08 105.19 107.44 1dcj n GLY 80 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1dcj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93