#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcp s ARG 7 N 0.00 0.63 -0.02 1.57 3.52 -1.26 -4.42 118.95 118.97 1dcp s ARG 7 Ca 0.00 1.29 -0.30 0.00 -0.13 0.00 0.00 55.73 56.59 1dcp s ARG 7 Cb 0.00 -1.70 -0.03 0.00 -1.56 0.00 0.00 34.95 31.66 1dcp s ARG 7 CO 0.00 -2.81 1.07 -1.17 -0.81 0.00 0.00 175.30 171.58 1dcp s LEU 8 N -6.68 4.32 0.35 -0.88 2.96 -0.99 -4.96 118.68 112.80 1dcp s LEU 8 Ca 0.66 1.73 -0.29 0.00 -0.22 0.00 0.00 54.13 56.02 1dcp s LEU 8 Cb -0.23 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.79 1dcp s LEU 8 CO 0.59 -0.41 1.45 -0.55 -1.32 0.00 0.00 176.35 176.12 1dcp s SER 9 N 1.12 6.47 0.58 3.68 0.15 -1.26 -4.84 113.70 119.61 1dcp s SER 9 Ca 0.53 2.93 0.28 0.00 0.70 0.00 0.00 55.95 60.39 1dcp s SER 9 Cb -0.23 -2.66 1.66 0.00 -1.71 0.00 0.00 66.02 63.08 1dcp s SER 9 CO 0.25 -0.78 2.13 0.00 1.20 0.00 0.00 173.24 176.03 1dcp h ALA 10 N 3.43 1.79 0.08 5.45 0.00 -2.00 0.99 119.26 129.00 1dcp h ALA 10 Ca -0.50 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1dcp h ALA 10 Cb 1.23 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1dcp h ALA 10 CO 0.67 -0.24 -0.73 1.05 0.00 0.00 0.00 179.25 180.01 1dcp h GLU 11 N 0.00 0.17 -0.97 0.00 -0.00 -1.99 -3.17 114.58 108.63 1dcp h GLU 11 Ca 0.07 -0.30 0.30 0.00 -0.00 0.00 0.00 59.36 59.44 1dcp h GLU 11 Cb 0.39 0.11 -0.18 0.00 -0.00 0.00 0.00 28.75 29.07 1dcp h GLU 11 CO -0.00 1.14 0.16 0.39 -0.00 0.00 0.00 179.01 180.70 1dcp n GLU 12 N -4.26 -0.07 0.02 1.06 1.02 -0.34 0.55 120.64 118.62 1dcp n GLU 12 Ca -0.16 1.42 -0.01 0.00 -0.02 0.00 0.00 57.16 58.38 1dcp n GLU 12 Cb 0.72 -2.33 -0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1dcp n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dcp h ARG 13 N 0.00 -0.05 -1.53 3.49 3.08 -0.88 -0.63 114.38 117.86 1dcp h ARG 13 Ca 0.65 0.00 0.44 0.00 0.07 0.00 0.00 59.98 61.15 1dcp h ARG 13 Cb 1.47 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.47 1dcp h ARG 13 CO -0.86 -0.03 1.27 -0.25 -1.07 0.00 0.00 179.97 179.02 1dcp n ASP 14 N -2.39 0.00 -0.10 7.04 9.92 0.19 -1.21 116.55 130.01 1dcp n ASP 14 Ca -0.01 0.85 -0.19 0.00 -0.53 0.00 0.00 54.79 54.91 1dcp n ASP 14 Cb 0.02 -0.38 -0.09 0.00 -0.64 0.00 0.00 41.12 40.02 1dcp n ASP 14 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1dcp n GLN 15 N -3.54 0.55 0.10 -1.24 0.00 0.09 -4.51 117.38 108.82 1dcp n GLN 15 Ca 0.34 0.54 -0.11 0.00 -0.00 0.00 0.00 57.00 57.78 1dcp n GLN 15 Cb 1.73 -1.72 -0.07 0.00 0.00 0.00 0.00 30.24 30.18 1dcp n GLN 15 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1dcp h LEU 16 N -1.00 -0.27 -0.47 1.69 3.38 0.35 -3.39 115.31 115.60 1dcp h LEU 16 Ca -0.31 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.45 1dcp h LEU 16 Cb 1.18 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1dcp h LEU 16 CO -0.19 0.21 0.24 -0.07 0.09 0.00 0.00 178.44 178.73 1dcp h LEU 17 N -0.88 0.35 -0.73 1.67 3.38 -1.37 -3.29 115.31 114.43 1dcp h LEU 17 Ca -0.03 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1dcp h LEU 17 Cb 0.51 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 1dcp h LEU 17 CO 0.05 0.24 -0.22 -0.81 0.09 0.00 0.00 178.44 177.79 1dcp n PRO 18 N -4.89 -0.11 -0.29 1.13 -0.04 -1.26 -0.64 135.00 128.89 1dcp n PRO 18 Ca 0.03 1.13 0.04 0.00 -0.04 0.00 0.00 63.50 64.66 1dcp n PRO 18 Cb 0.12 -1.68 0.25 0.00 -0.04 0.00 0.00 33.50 32.15 1dcp n PRO 18 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1dcp h ASN 19 N 0.00 0.89 0.64 3.54 7.08 -1.84 0.70 115.58 126.60 1dcp h ASN 19 Ca 0.31 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.32 1dcp h ASN 19 Cb 0.49 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 36.53 1dcp h ASN 19 CO -0.74 0.57 -0.97 -0.07 -2.08 0.00 0.00 177.43 174.14 1dcp h LEU 20 N 1.01 0.26 -0.46 6.14 3.38 -1.07 -3.16 115.31 121.42 1dcp h LEU 20 Ca 0.38 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1dcp h LEU 20 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1dcp h LEU 20 CO -0.14 1.09 -0.05 -0.09 0.09 0.00 0.00 178.44 179.34 1dcp h ARG 21 N 0.09 0.85 0.00 1.13 9.65 -1.18 0.53 114.38 125.44 1dcp h ARG 21 Ca -0.06 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.51 1dcp h ARG 21 Cb 1.64 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 30.16 1dcp h ARG 21 CO 0.15 0.92 -0.05 0.00 2.80 0.00 0.00 179.97 183.79 1dcp h ALA 22 N 0.89 1.43 -0.51 2.80 0.00 -0.82 -2.24 119.26 120.80 1dcp h ALA 22 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dcp h ALA 22 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dcp h ALA 22 CO 0.03 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.68 1dcp n VAL 23 N -3.77 1.66 0.00 0.00 0.24 -0.82 -4.94 118.33 110.70 1dcp n VAL 23 Ca -0.02 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1dcp n VAL 23 Cb 0.15 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1dcp n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dcp n GLY 24 N 0.73 0.98 3.80 7.63 0.00 -0.84 -5.06 105.19 112.42 1dcp n GLY 24 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1dcp n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dcp s TRP 25 N -2.01 2.92 0.02 1.61 0.52 0.18 -4.60 118.94 117.58 1dcp s TRP 25 Ca 0.00 1.51 -0.10 0.00 0.02 0.00 0.00 56.10 57.53 1dcp s TRP 25 Cb 0.00 -3.02 0.01 0.00 -1.15 0.00 0.00 33.47 29.30 1dcp s TRP 25 CO 0.00 -1.27 0.20 -0.80 0.02 0.00 0.00 176.95 175.09 1dcp s ASN 26 N -2.92 0.00 0.01 2.95 -0.87 0.24 -4.30 114.94 110.04 1dcp s ASN 26 Ca 0.63 -0.27 -0.15 0.00 -1.57 0.00 0.00 52.86 51.50 1dcp s ASN 26 Cb -0.17 0.27 -0.06 0.00 -0.02 0.00 0.00 41.25 41.28 1dcp s ASN 26 CO 0.41 -0.50 0.42 -1.61 -2.57 0.00 0.00 177.10 173.26 1dcp s GLU 27 N -2.12 3.94 0.43 -0.60 2.02 -1.26 -0.30 118.70 120.81 1dcp s GLU 27 Ca -0.08 0.44 -0.21 0.00 0.02 0.00 0.00 54.97 55.13 1dcp s GLU 27 Cb -0.03 -3.22 -0.10 0.00 0.10 0.00 0.00 34.13 30.87 1dcp s GLU 27 CO -0.01 0.69 0.97 -0.51 0.02 0.00 0.00 175.26 176.41 1dcp s LEU 28 N -1.08 3.95 0.03 1.80 1.43 -0.62 -4.95 118.68 119.24 1dcp s LEU 28 Ca 0.24 1.74 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 1dcp s LEU 28 Cb -0.17 -4.50 -0.36 0.00 0.03 0.00 0.00 46.19 41.19 1dcp s LEU 28 CO 0.14 -0.41 0.99 -0.08 0.23 0.00 0.00 176.35 177.21 1dcp h GLU 29 N 1.94 0.54 -0.35 1.70 4.57 -1.98 -3.34 114.58 117.66 1dcp h GLU 29 Ca -0.49 -0.92 0.07 0.00 -1.18 0.00 0.00 59.36 56.84 1dcp h GLU 29 Cb 1.19 0.34 -0.09 0.00 -0.16 0.00 0.00 28.75 30.04 1dcp h GLU 29 CO 0.61 1.44 -0.37 0.78 -1.18 0.00 0.00 179.01 180.29 1dcp h GLY 30 N 0.19 -0.43 -0.22 1.92 0.00 -2.00 -3.47 103.07 99.07 1dcp h GLY 30 Ca -0.26 0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 1dcp h GLY 30 CO 0.27 -0.20 -0.04 -0.96 0.00 0.00 0.00 176.54 175.62 1dcp n ARG 31 N -5.42 0.08 -2.94 4.80 1.85 -1.25 -5.09 116.66 108.68 1dcp n ARG 31 Ca -0.00 -0.40 -0.44 0.00 -1.00 0.00 0.00 57.85 56.01 1dcp n ARG 31 Cb 0.35 0.36 -0.03 0.00 -1.05 0.00 0.00 32.46 32.09 1dcp n ARG 31 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1dcp s ASP 32 N -1.30 6.47 -0.00 2.89 2.15 -1.26 -4.06 116.67 121.56 1dcp s ASP 32 Ca 0.04 -1.72 -0.29 0.00 0.43 0.00 0.00 52.55 51.01 1dcp s ASP 32 Cb 0.00 -2.39 0.10 0.00 -0.30 0.00 0.00 42.92 40.33 1dcp s ASP 32 CO 0.03 -1.16 1.01 0.00 -0.17 0.00 0.00 175.17 174.88 1dcp s ALA 33 N 2.99 -1.87 0.12 3.66 0.00 -1.26 -3.15 121.76 122.24 1dcp s ALA 33 Ca 0.27 0.87 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1dcp s ALA 33 Cb -0.10 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1dcp s ALA 33 CO -0.03 -0.80 -0.22 0.96 0.00 0.00 0.00 175.76 175.67 1dcp s ILE 34 N -2.96 1.89 0.15 0.00 -4.36 -0.23 -1.58 121.20 114.12 1dcp s ILE 34 Ca 0.09 -1.65 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1dcp s ILE 34 Cb -0.00 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 1dcp s ILE 34 CO -0.05 -0.04 0.07 0.72 0.24 0.00 0.00 174.94 175.88 1dcp s PHE 35 N -1.23 0.98 -0.23 1.37 -0.71 0.59 0.28 117.98 119.03 1dcp s PHE 35 Ca 0.10 -1.25 -0.27 0.00 -1.04 0.00 0.00 56.93 54.47 1dcp s PHE 35 Cb -0.10 -0.53 0.12 0.00 -1.21 0.00 0.00 43.02 41.30 1dcp s PHE 35 CO 0.05 -0.52 0.99 0.21 -1.34 0.00 0.00 175.22 174.62 1dcp s LYS 36 N -4.06 0.57 -0.20 1.99 2.36 -0.56 -0.59 119.74 119.24 1dcp s LYS 36 Ca 0.28 0.45 -0.02 0.00 -2.55 0.00 0.00 55.97 54.13 1dcp s LYS 36 Cb 0.07 0.27 -0.00 0.00 -1.05 0.00 0.00 37.83 37.12 1dcp s LYS 36 CO 0.05 -0.11 -0.09 -1.14 1.55 0.00 0.00 175.35 175.60 1dcp s GLN 37 N -0.27 3.30 0.01 4.03 0.74 -1.26 -1.08 119.66 125.12 1dcp s GLN 37 Ca 0.01 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 54.71 1dcp s GLN 37 Cb -0.03 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.16 1dcp s GLN 37 CO -0.03 -0.15 0.21 -0.06 -0.55 0.00 0.00 175.29 174.71 1dcp s PHE 38 N 1.30 3.55 -0.08 1.67 0.40 0.84 -4.96 117.98 120.70 1dcp s PHE 38 Ca 0.04 0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 1dcp s PHE 38 Cb -0.14 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1dcp s PHE 38 CO -0.04 0.62 -0.16 -1.01 0.70 0.00 0.00 175.22 175.33 1dcp s HIS 39 N -1.37 1.85 0.38 0.36 3.76 -1.26 -1.42 115.29 117.60 1dcp s HIS 39 Ca 0.29 -0.73 0.06 0.00 -0.15 0.00 0.00 55.06 54.53 1dcp s HIS 39 Cb -0.13 -1.30 -0.07 0.00 1.11 0.00 0.00 32.58 32.19 1dcp s HIS 39 CO 0.20 -0.34 0.03 -0.06 -0.85 0.00 0.00 174.74 173.71 1dcp s PHE 40 N 0.60 2.34 0.09 1.40 0.40 0.12 -5.00 117.98 117.93 1dcp s PHE 40 Ca -0.15 -0.77 -0.17 0.00 -0.60 0.00 0.00 56.93 55.24 1dcp s PHE 40 Cb -0.16 -1.62 -0.07 0.00 0.51 0.00 0.00 43.02 41.68 1dcp s PHE 40 CO 0.05 0.31 1.50 -0.22 0.70 0.00 0.00 175.22 177.55 1dcp h LYS 41 N 1.87 0.56 -4.36 0.44 3.64 -1.80 -3.45 116.57 113.47 1dcp h LYS 41 Ca -0.43 -0.21 -0.31 0.00 -1.27 0.00 0.00 60.65 58.43 1dcp h LYS 41 Cb 1.24 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.92 1dcp h LYS 41 CO 0.77 0.75 -0.32 0.16 -2.27 0.00 0.00 179.45 178.54 1dcp s ASP 42 N -6.15 0.96 0.32 4.20 1.47 -1.26 -4.92 116.67 111.29 1dcp s ASP 42 Ca -0.13 -1.51 0.08 0.00 1.18 0.00 0.00 52.55 52.17 1dcp s ASP 42 Cb 0.08 0.60 0.54 0.00 -0.34 0.00 0.00 42.92 43.80 1dcp s ASP 42 CO 0.78 -1.17 1.75 0.15 0.68 0.00 0.00 175.17 177.36 1dcp h PHE 43 N 2.19 0.21 -0.91 2.11 3.57 -1.91 -2.22 116.94 119.99 1dcp h PHE 43 Ca -0.28 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.26 1dcp h PHE 43 Cb 1.24 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.85 1dcp h PHE 43 CO 1.34 0.54 0.55 -0.97 -2.23 0.00 0.00 178.31 177.54 1dcp h ASN 44 N 0.16 0.82 0.36 0.41 -0.73 -1.96 0.18 115.58 114.81 1dcp h ASN 44 Ca 0.02 0.04 -0.27 0.00 1.87 0.00 0.00 56.30 57.96 1dcp h ASN 44 Cb 0.74 -0.12 0.01 0.00 0.27 0.00 0.00 38.32 39.22 1dcp h ASN 44 CO 0.06 0.47 -1.17 -0.09 -0.37 0.00 0.00 177.43 176.32 1dcp h ARG 45 N 0.92 0.45 -0.02 6.67 2.43 -1.91 -2.24 114.38 120.67 1dcp h ARG 45 Ca 0.43 -0.61 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1dcp h ARG 45 Cb 0.36 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1dcp h ARG 45 CO -0.24 1.25 0.01 0.00 -1.51 0.00 0.00 179.97 179.48 1dcp h ALA 46 N 0.51 0.03 -0.62 2.80 0.00 -0.77 -1.60 119.26 119.59 1dcp h ALA 46 Ca -0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1dcp h ALA 46 Cb 1.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1dcp h ALA 46 CO 0.21 -0.36 0.19 0.35 0.00 0.00 0.00 179.25 179.63 1dcp h PHE 47 N -0.18 0.97 -0.06 0.00 3.57 -0.76 -0.38 116.94 120.11 1dcp h PHE 47 Ca 0.01 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 1dcp h PHE 47 Cb 0.22 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1dcp h PHE 47 CO -0.00 0.79 -0.33 0.78 -2.23 0.00 0.00 178.31 177.31 1dcp h GLY 48 N 1.03 0.12 0.88 2.40 0.00 -1.36 -0.74 103.07 105.39 1dcp h GLY 48 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1dcp h GLY 48 CO -0.01 0.09 -0.30 -2.75 0.00 0.00 0.00 176.54 173.57 1dcp h PHE 49 N 0.10 -0.78 -0.85 5.60 3.57 -0.23 -2.56 116.94 121.78 1dcp h PHE 49 Ca 0.01 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1dcp h PHE 49 Cb 0.64 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1dcp h PHE 49 CO 0.00 -0.44 0.55 0.52 -2.23 0.00 0.00 178.31 176.72 1dcp h MET 50 N -0.97 0.65 -0.31 1.11 2.86 -0.75 -2.13 114.93 115.39 1dcp h MET 50 Ca -0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1dcp h MET 50 Cb 0.68 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1dcp h MET 50 CO 0.14 0.43 0.06 1.15 1.06 0.00 0.00 176.91 179.75 1dcp h THR 51 N 0.67 1.23 -0.35 2.22 2.02 -0.99 0.41 112.91 118.11 1dcp h THR 51 Ca 0.42 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1dcp h THR 51 Cb 0.67 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1dcp h THR 51 CO -0.18 0.26 0.22 0.03 0.37 0.00 0.00 175.52 176.22 1dcp h ARG 52 N 0.34 0.47 -0.03 6.66 3.08 -0.98 0.06 114.38 123.98 1dcp h ARG 52 Ca 0.10 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 1dcp h ARG 52 Cb 0.33 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.29 1dcp h ARG 52 CO 0.00 0.33 -0.79 0.28 -1.07 0.00 0.00 179.97 178.72 1dcp h VAL 53 N 0.48 1.34 -0.88 2.04 2.07 -1.12 -2.75 116.25 117.43 1dcp h VAL 53 Ca 0.13 -2.10 0.13 0.00 0.82 0.00 0.00 66.70 65.67 1dcp h VAL 53 Cb -0.03 2.39 -0.09 0.00 -1.52 0.00 0.00 31.29 32.05 1dcp h VAL 53 CO -0.03 0.64 0.50 0.00 0.02 0.00 0.00 177.57 178.71 1dcp h ALA 54 N 0.40 1.32 -0.28 1.67 0.00 0.51 0.60 119.26 123.48 1dcp h ALA 54 Ca -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dcp h ALA 54 Cb 1.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1dcp h ALA 54 CO 0.16 0.04 0.13 -0.07 0.00 0.00 0.00 179.25 179.51 1dcp h LEU 55 N 0.77 0.37 -0.19 0.00 3.38 -0.97 -1.52 115.31 117.15 1dcp h LEU 55 Ca 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1dcp h LEU 55 Cb 0.54 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1dcp h LEU 55 CO -0.30 0.39 0.05 1.56 0.09 0.00 0.00 178.44 180.23 1dcp h GLN 56 N 0.32 0.29 -0.92 1.13 1.08 -0.90 -2.01 115.11 114.10 1dcp h GLN 56 Ca 0.10 -0.07 0.21 0.00 -1.45 0.00 0.00 58.65 57.44 1dcp h GLN 56 Cb 0.12 -0.04 -0.17 0.00 -0.05 0.00 0.00 27.48 27.34 1dcp h GLN 56 CO -0.01 0.42 -0.11 0.00 -0.95 0.00 0.00 178.83 178.18 1dcp h ALA 57 N 0.86 0.83 -0.05 3.87 0.00 0.39 0.12 119.26 125.28 1dcp h ALA 57 Ca 0.06 0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dcp h ALA 57 Cb 0.26 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1dcp h ALA 57 CO 0.00 -0.45 0.01 0.93 0.00 0.00 0.00 179.25 179.74 1dcp h GLU 58 N 0.02 0.08 -0.86 0.00 4.39 -0.95 0.57 114.58 117.82 1dcp h GLU 58 Ca 0.49 -0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.36 1dcp h GLU 58 Cb 0.87 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.40 1dcp h GLU 58 CO -0.90 0.28 0.39 -0.22 -1.16 0.00 0.00 179.01 177.41 1dcp h LYS 59 N -0.14 0.46 0.00 2.33 3.64 -0.38 -1.70 116.57 120.77 1dcp h LYS 59 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1dcp h LYS 59 Cb 0.24 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1dcp h LYS 59 CO 0.00 0.31 -1.00 1.28 -2.27 0.00 0.00 179.45 177.77 1dcp n LEU 60 N -4.98 0.63 -3.68 5.20 4.77 0.26 -4.96 117.00 114.23 1dcp n LEU 60 Ca 0.19 -0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 1dcp n LEU 60 Cb 0.55 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1dcp n LEU 60 CO 0.16 0.07 0.09 -0.67 -1.33 0.00 0.00 177.39 175.71 1dcp n ASP 61 N -1.87 -3.47 -3.73 -1.43 2.03 0.19 -4.98 116.55 103.29 1dcp n ASP 61 Ca 0.02 -0.71 -0.23 0.00 0.52 0.00 0.00 54.79 54.40 1dcp n ASP 61 Cb 0.42 -4.44 -0.17 0.00 -0.72 0.00 0.00 41.12 36.20 1dcp n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dcp s HIS 62 N -3.43 0.53 0.13 -0.67 2.46 -0.85 -5.04 115.29 108.41 1dcp s HIS 62 Ca 0.31 -0.16 0.09 0.00 0.47 0.00 0.00 55.06 55.77 1dcp s HIS 62 Cb -0.15 -0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 31.52 1dcp s HIS 62 CO 0.78 -0.34 -0.19 -1.01 -2.47 0.00 0.00 174.74 171.51 1dcp s HIS 63 N 2.02 2.50 0.42 3.88 3.76 -1.26 -4.43 115.29 122.17 1dcp s HIS 63 Ca 0.04 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.57 1dcp s HIS 63 Cb -0.13 -1.31 -0.06 0.00 1.11 0.00 0.00 32.58 32.19 1dcp s HIS 63 CO -0.05 0.41 0.77 -1.25 -0.85 0.00 0.00 174.74 173.76 1dcp s PRO 64 N -2.26 3.74 -0.47 8.40 0.04 -1.26 -4.86 135.00 138.33 1dcp s PRO 64 Ca 0.18 0.42 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 1dcp s PRO 64 Cb -0.10 -2.39 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1dcp s PRO 64 CO 0.10 -0.06 0.39 -1.21 0.04 0.00 0.00 177.00 176.26 1dcp s GLU 65 N -3.99 2.94 0.25 4.56 2.02 -1.07 -5.00 118.70 118.41 1dcp s GLU 65 Ca 0.51 -1.39 0.06 0.00 0.02 0.00 0.00 54.97 54.16 1dcp s GLU 65 Cb -0.10 -4.11 -0.05 0.00 0.10 0.00 0.00 34.13 29.96 1dcp s GLU 65 CO 0.34 -1.04 -0.05 1.67 0.02 0.00 0.00 175.26 176.19 1dcp s TRP 66 N 1.62 1.74 -0.09 1.61 -2.14 -1.26 -1.71 118.94 118.71 1dcp s TRP 66 Ca 0.04 -0.77 -0.02 0.00 2.66 0.00 0.00 56.10 58.01 1dcp s TRP 66 Cb -0.25 -0.97 0.03 0.00 -3.10 0.00 0.00 33.47 29.18 1dcp s TRP 66 CO 0.06 0.16 0.02 0.12 -2.66 0.00 0.00 176.95 174.66 1dcp s PHE 67 N -3.17 0.57 -0.07 1.66 5.36 0.86 -4.94 117.98 118.24 1dcp s PHE 67 Ca 0.27 -0.18 0.04 0.00 -0.96 0.00 0.00 56.93 56.10 1dcp s PHE 67 Cb 0.04 -0.76 -0.02 0.00 -0.34 0.00 0.00 43.02 41.94 1dcp s PHE 67 CO 0.09 -0.35 -0.20 1.21 -1.46 0.00 0.00 175.22 174.52 1dcp s ASN 68 N 2.01 3.52 -0.37 6.13 3.84 -1.26 0.80 114.94 129.60 1dcp s ASN 68 Ca 0.04 -0.38 0.00 0.00 0.21 0.00 0.00 52.86 52.73 1dcp s ASN 68 Cb -0.13 -0.96 0.13 0.00 -0.55 0.00 0.00 41.25 39.74 1dcp s ASN 68 CO -0.05 0.26 0.21 -0.69 -2.79 0.00 0.00 177.10 174.04 1dcp s VAL 69 N -0.25 0.55 0.00 -5.21 1.01 -0.72 -5.02 120.40 110.76 1dcp s VAL 69 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1dcp s VAL 69 Cb -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1dcp s VAL 69 CO 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 175.10 174.20 1dcp n TYR 70 N 4.00 0.00 -0.11 5.22 9.36 -1.26 -3.06 117.16 131.31 1dcp n TYR 70 Ca 0.09 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.42 1dcp n TYR 70 Cb 0.37 0.00 0.29 0.00 -0.63 0.00 0.00 39.34 39.37 1dcp n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dcp n ASN 71 N 10.29 3.60 -4.24 2.98 6.94 -1.26 -4.09 115.26 129.46 1dcp n ASN 71 Ca 0.00 -2.00 -0.28 0.00 -0.02 0.00 0.00 54.58 52.29 1dcp n ASN 71 Cb 0.00 -0.44 -0.16 0.00 -2.36 0.00 0.00 39.78 36.83 1dcp n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dcp s LYS 72 N -1.13 1.75 -0.12 -3.83 1.02 -1.17 0.10 119.74 116.36 1dcp s LYS 72 Ca 0.45 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.66 1dcp s LYS 72 Cb 0.23 -1.70 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 1dcp s LYS 72 CO 0.31 0.46 -0.16 0.08 -0.92 0.00 0.00 175.35 175.13 1dcp s VAL 73 N -0.53 1.57 -0.21 3.17 1.01 -0.51 -1.75 120.40 123.16 1dcp s VAL 73 Ca 0.08 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1dcp s VAL 73 Cb -0.08 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1dcp s VAL 73 CO -0.01 0.46 0.03 -2.28 0.00 0.00 0.00 175.10 173.30 1dcp s HIS 74 N 1.09 3.09 -0.06 5.22 2.46 0.24 -0.11 115.29 127.22 1dcp s HIS 74 Ca -0.04 -0.32 0.04 0.00 0.47 0.00 0.00 55.06 55.20 1dcp s HIS 74 Cb -0.14 -2.11 0.00 0.00 -0.13 0.00 0.00 32.58 30.20 1dcp s HIS 74 CO -0.04 -0.17 -0.16 0.42 -2.47 0.00 0.00 174.74 172.32 1dcp s ILE 75 N 0.98 1.41 -0.04 0.89 1.01 -0.25 -0.10 121.20 125.10 1dcp s ILE 75 Ca 0.02 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1dcp s ILE 75 Cb -0.14 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1dcp s ILE 75 CO 0.02 0.41 -0.21 -0.89 0.00 0.00 0.00 174.94 174.27 1dcp s THR 76 N 0.30 2.44 -0.02 2.92 2.01 -0.69 -1.50 115.64 121.10 1dcp s THR 76 Ca -0.10 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.01 1dcp s THR 76 Cb -0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1dcp s THR 76 CO 0.04 0.58 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.59 1dcp s LEU 77 N -0.54 2.04 -0.29 4.42 1.43 0.79 -2.59 118.68 123.94 1dcp s LEU 77 Ca 0.07 -0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1dcp s LEU 77 Cb -0.11 -1.01 0.14 0.00 0.03 0.00 0.00 46.19 45.24 1dcp s LEU 77 CO 0.01 0.24 1.05 -0.55 0.23 0.00 0.00 176.35 177.33 1dcp s SER 78 N -0.46 -0.43 -0.00 2.29 0.15 -1.26 -1.07 113.70 112.93 1dcp s SER 78 Ca 0.07 0.76 -0.30 0.00 0.70 0.00 0.00 55.95 57.18 1dcp s SER 78 Cb -0.08 0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 65.14 1dcp s SER 78 CO -0.01 -0.13 1.13 -0.89 1.20 0.00 0.00 173.24 174.55 1dcp s THR 79 N 0.69 4.36 0.27 6.45 2.01 -0.88 -4.89 115.64 123.66 1dcp s THR 79 Ca -0.02 1.69 0.10 0.00 0.31 0.00 0.00 61.69 63.77 1dcp s THR 79 Cb -0.04 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 1dcp s THR 79 CO -0.11 0.08 1.61 0.45 -0.69 0.00 0.00 174.62 175.97 1dcp h HIS 80 N 7.01 0.03 0.00 4.92 3.86 -1.96 -2.55 115.15 126.45 1dcp h HIS 80 Ca -0.38 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1dcp h HIS 80 Cb 1.20 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1dcp h HIS 80 CO 0.69 0.62 0.00 0.39 0.86 0.00 0.00 177.93 180.50 1dcp n GLU 81 N -3.82 0.00 0.00 2.45 1.02 -1.26 -3.08 120.64 115.95 1dcp n GLU 81 Ca -0.01 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1dcp n GLU 81 Cb 0.61 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1dcp n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dcp n ALA 83 N -0.15 -2.07 0.00 0.00 0.00 -1.12 -4.85 120.51 112.33 1dcp n ALA 83 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1dcp n ALA 83 Cb 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1dcp n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dcp n GLY 84 N -2.47 -0.74 3.60 0.00 0.00 -0.98 -4.68 105.19 99.92 1dcp n GLY 84 Ca -0.29 -1.16 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 1dcp n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dcp n LEU 85 N 0.00 1.99 -4.16 0.99 4.77 -1.19 -2.07 117.00 117.34 1dcp n LEU 85 Ca 0.00 1.17 -0.14 0.00 -0.03 0.00 0.00 56.01 57.02 1dcp n LEU 85 Cb 0.00 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 39.71 1dcp n LEU 85 CO 0.00 -1.24 -0.05 -0.94 -1.33 0.00 0.00 177.39 173.83 1dcp s SER 86 N -0.39 0.62 0.55 -1.43 1.04 -1.26 -2.34 113.70 110.49 1dcp s SER 86 Ca 0.61 -1.41 0.23 0.00 0.48 0.00 0.00 55.95 55.86 1dcp s SER 86 Cb -0.71 0.52 1.50 0.00 0.10 0.00 0.00 66.02 67.43 1dcp s SER 86 CO 0.58 -1.05 2.14 -0.08 0.98 0.00 0.00 173.24 175.81 1dcp h GLU 87 N 2.33 0.00 -0.61 4.02 4.81 -1.93 -1.76 114.58 121.43 1dcp h GLU 87 Ca -0.30 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1dcp h GLU 87 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1dcp h GLU 87 CO 0.43 0.00 0.31 0.00 -0.73 0.00 0.00 179.01 179.01 1dcp h ARG 88 N 0.00 0.88 0.01 1.92 3.08 -1.95 0.28 114.38 118.59 1dcp h ARG 88 Ca 0.06 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1dcp h ARG 88 Cb 0.25 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1dcp h ARG 88 CO -0.00 0.69 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.14 1dcp h ASP 89 N 0.84 -0.04 0.34 7.04 3.32 -1.71 0.38 116.42 126.58 1dcp h ASP 89 Ca 0.21 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1dcp h ASP 89 Cb 0.10 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1dcp h ASP 89 CO -0.03 -0.02 -0.28 0.40 -1.72 0.00 0.00 179.24 177.58 1dcp h ILE 90 N -0.03 0.40 -0.25 0.35 1.08 -1.27 -0.49 117.51 117.30 1dcp h ILE 90 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1dcp h ILE 90 Cb 0.03 0.40 -0.07 0.00 -3.07 0.00 0.00 36.82 34.12 1dcp h ILE 90 CO -0.01 0.00 -0.49 -1.13 -0.69 0.00 0.00 178.15 175.83 1dcp h ASN 91 N -0.63 -1.61 -0.88 1.72 -0.73 -0.81 -0.10 115.58 112.55 1dcp h ASN 91 Ca -0.02 0.20 0.08 0.00 1.87 0.00 0.00 56.30 58.42 1dcp h ASN 91 Cb 0.56 0.64 -0.07 0.00 0.27 0.00 0.00 38.32 39.73 1dcp h ASN 91 CO -0.02 -0.39 0.54 0.25 -0.37 0.00 0.00 177.43 177.43 1dcp h LEU 92 N -0.44 0.82 -1.44 0.34 5.85 -0.82 -1.45 115.31 118.18 1dcp h LEU 92 Ca 0.05 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1dcp h LEU 92 Cb 0.57 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1dcp h LEU 92 CO -0.46 0.50 0.39 0.00 -0.34 0.00 0.00 178.44 178.53 1dcp h ALA 93 N 1.44 1.62 0.04 1.25 0.00 0.36 0.77 119.26 124.74 1dcp h ALA 93 Ca 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1dcp h ALA 93 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dcp h ALA 93 CO -0.20 0.34 -0.02 0.77 0.00 0.00 0.00 179.25 180.13 1dcp h SER 94 N 0.76 -0.05 -0.35 0.00 0.02 0.01 0.61 113.55 114.55 1dcp h SER 94 Ca 0.23 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 1dcp h SER 94 Cb -0.03 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.44 1dcp h SER 94 CO -0.05 -0.03 -0.29 0.15 -1.14 0.00 0.00 176.83 175.46 1dcp h PHE 95 N -0.06 -0.79 -0.96 3.45 3.57 -0.92 0.22 116.94 121.45 1dcp h PHE 95 Ca -0.01 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.69 1dcp h PHE 95 Cb 0.05 0.40 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 1dcp h PHE 95 CO -0.08 -0.36 0.57 0.82 -2.23 0.00 0.00 178.31 177.04 1dcp h ILE 96 N -0.24 0.82 0.34 1.41 2.04 -0.56 0.48 117.51 121.80 1dcp h ILE 96 Ca 0.17 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1dcp h ILE 96 Cb 0.51 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1dcp h ILE 96 CO -0.49 0.15 -0.21 -0.33 0.00 0.00 0.00 178.15 177.27 1dcp h GLU 97 N 0.84 -0.50 -0.88 2.37 4.39 0.17 0.61 114.58 121.58 1dcp h GLU 97 Ca 0.51 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.43 1dcp h GLU 97 Cb 0.63 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.28 1dcp h GLU 97 CO -0.32 -0.33 0.41 1.96 -1.16 0.00 0.00 179.01 179.57 1dcp h GLN 98 N -0.51 0.47 -0.12 2.33 4.20 0.33 -0.28 115.11 121.53 1dcp h GLN 98 Ca -0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1dcp h GLN 98 Cb 0.41 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1dcp h GLN 98 CO 0.05 0.31 0.01 0.28 -0.67 0.00 0.00 178.83 178.80 1dcp h VAL 99 N 0.48 1.24 -0.99 -0.54 2.07 0.18 -3.00 116.25 115.68 1dcp h VAL 99 Ca 0.52 -0.75 0.23 0.00 0.82 0.00 0.00 66.70 67.52 1dcp h VAL 99 Cb 0.91 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 1dcp h VAL 99 CO -0.47 0.22 0.64 0.00 0.02 0.00 0.00 177.57 177.98 1dcp h ALA 100 N 0.77 2.11 0.59 1.67 0.00 0.20 -2.55 119.26 122.04 1dcp h ALA 100 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dcp h ALA 100 Cb 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1dcp h ALA 100 CO 0.00 -0.47 -0.28 0.28 0.00 0.00 0.00 179.25 178.78 1dcp h VAL 101 N 0.48 0.18 -0.00 0.00 2.07 -1.24 -3.30 116.25 114.43 1dcp h VAL 101 Ca 0.56 -0.39 -0.64 0.00 0.82 0.00 0.00 66.70 67.04 1dcp h VAL 101 Cb 1.28 0.25 0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1dcp h VAL 101 CO -0.28 0.03 2.19 -1.54 0.02 0.00 0.00 177.57 177.99 1dcp n SER 102 N -5.32 2.36 0.00 0.57 3.41 -0.96 -2.87 113.62 110.81 1dcp n SER 102 Ca -0.11 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1dcp n SER 102 Cb 0.34 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1dcp n SER 102 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1dcp n MET 103 N 7.12 0.00 -0.43 4.33 0.00 -1.24 -4.98 117.12 121.91 1dcp n MET 103 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.19 1dcp n MET 103 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.63 1dcp n MET 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38