#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dco n ARG 7 N 0.00 -1.54 -0.44 -1.40 0.63 -1.24 -4.51 116.66 108.18 1dco n ARG 7 Ca 0.00 0.96 -0.15 0.00 -0.92 0.00 0.00 57.85 57.74 1dco n ARG 7 Cb 0.00 -1.84 -0.01 0.00 0.45 0.00 0.00 32.46 31.06 1dco n ARG 7 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1dco n LEU 8 N -1.24 -0.35 0.00 6.15 4.77 0.34 -4.90 117.00 121.77 1dco n LEU 8 Ca -0.18 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1dco n LEU 8 Cb 0.61 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1dco n LEU 8 CO 0.53 -0.90 0.00 -1.54 -1.33 0.00 0.00 177.39 174.15 1dco n SER 9 N 0.61 0.00 0.00 -1.43 3.41 -1.26 -4.91 113.62 110.04 1dco n SER 9 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1dco n SER 9 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1dco n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dco n ALA 10 N -3.00 0.00 -0.36 7.33 0.00 -1.26 -4.56 120.51 118.67 1dco n ALA 10 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 1dco n ALA 10 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1dco n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1dco n GLU 11 N 0.00 -0.00 0.08 0.00 2.13 -1.26 0.19 120.64 121.78 1dco n GLU 11 Ca 0.00 0.60 -0.12 0.00 0.66 0.00 0.00 57.16 58.31 1dco n GLU 11 Cb 0.00 -1.35 -0.08 0.00 0.27 0.00 0.00 31.44 30.29 1dco n GLU 11 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1dco h GLU 12 N 0.00 -0.26 -1.06 5.31 4.11 -1.98 0.28 114.58 120.99 1dco h GLU 12 Ca 0.50 0.02 0.30 0.00 0.07 0.00 0.00 59.36 60.25 1dco h GLU 12 Cb 1.93 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 31.12 1dco h GLU 12 CO -0.06 0.14 0.64 0.00 0.07 0.00 0.00 179.01 179.80 1dco h ARG 13 N -0.82 0.37 -0.65 1.06 3.08 0.18 0.75 114.38 118.35 1dco h ARG 13 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1dco h ARG 13 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1dco h ARG 13 CO 0.05 0.24 0.00 -0.25 -1.07 0.00 0.00 179.97 178.94 1dco n ASP 14 N -4.83 3.10 0.00 7.04 8.00 -0.94 -1.03 116.55 127.89 1dco n ASP 14 Ca 0.29 -2.34 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1dco n ASP 14 Cb 0.95 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1dco n ASP 14 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1dco n GLN 15 N 0.44 0.00 -0.07 -1.24 7.27 0.20 -4.85 117.38 119.14 1dco n GLN 15 Ca 0.14 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.18 1dco n GLN 15 Cb 0.63 -0.64 -0.01 0.00 2.41 0.00 0.00 30.24 32.62 1dco n GLN 15 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1dco h LEU 16 N 0.00 0.00 -0.60 1.69 3.38 0.10 -3.40 115.31 116.48 1dco h LEU 16 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1dco h LEU 16 Cb 0.84 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 1dco h LEU 16 CO 0.00 0.70 -0.21 -0.07 0.09 0.00 0.00 178.44 178.95 1dco h LEU 17 N -0.97 -0.75 -0.80 1.67 3.38 -1.19 -2.06 115.31 114.59 1dco h LEU 17 Ca 0.00 0.20 0.17 0.00 0.09 0.00 0.00 57.88 58.34 1dco h LEU 17 Cb 0.42 0.44 -0.15 0.00 0.09 0.00 0.00 40.66 41.46 1dco h LEU 17 CO 0.00 -0.24 -0.15 1.55 0.09 0.00 0.00 178.44 179.69 1dco h PRO 18 N -0.06 0.02 -0.98 1.13 0.13 -1.80 1.02 132.00 131.46 1dco h PRO 18 Ca 0.28 -0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.54 1dco h PRO 18 Cb 0.49 -0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.53 1dco h PRO 18 CO -0.65 0.01 0.60 -0.91 -0.23 0.00 0.00 178.00 176.83 1dco h ASN 19 N 0.02 0.84 -0.05 1.44 2.35 -1.58 0.89 115.58 119.50 1dco h ASN 19 Ca 0.40 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.19 1dco h ASN 19 Cb 0.65 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1dco h ASN 19 CO -0.80 0.41 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.25 1dco h LEU 20 N 0.90 0.15 -0.83 1.61 3.38 0.71 -2.80 115.31 118.42 1dco h LEU 20 Ca 0.51 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1dco h LEU 20 Cb 0.59 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1dco h LEU 20 CO -0.30 0.66 0.50 -0.09 0.09 0.00 0.00 178.44 179.30 1dco h ARG 21 N -0.36 0.87 -1.03 1.13 2.43 0.14 0.51 114.38 118.07 1dco h ARG 21 Ca 0.00 -0.05 0.29 0.00 -0.81 0.00 0.00 59.98 59.41 1dco h ARG 21 Cb 0.63 -0.20 -0.13 0.00 -0.42 0.00 0.00 29.97 29.86 1dco h ARG 21 CO 0.02 0.57 0.61 0.00 -1.51 0.00 0.00 179.97 179.66 1dco h ALA 22 N 1.42 1.98 -0.45 2.80 0.00 0.99 0.25 119.26 126.25 1dco h ALA 22 Ca 0.38 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1dco h ALA 22 Cb 0.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dco h ALA 22 CO -0.20 -0.51 0.00 1.33 0.00 0.00 0.00 179.25 179.88 1dco n VAL 23 N -4.90 0.60 0.00 0.00 0.24 -0.02 -4.89 118.33 109.37 1dco n VAL 23 Ca 0.29 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1dco n VAL 23 Cb 0.90 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 1dco n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dco n GLY 24 N 1.28 0.95 3.62 7.63 0.00 0.87 -5.06 105.19 114.48 1dco n GLY 24 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1dco n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dco s TRP 25 N -2.00 3.09 0.35 1.61 0.52 -0.12 -4.73 118.94 117.65 1dco s TRP 25 Ca 0.00 0.99 0.03 0.00 0.02 0.00 0.00 56.10 57.14 1dco s TRP 25 Cb 0.00 -3.74 -0.02 0.00 -1.15 0.00 0.00 33.47 28.56 1dco s TRP 25 CO 0.00 -0.84 0.52 -0.80 0.02 0.00 0.00 176.95 175.85 1dco s ASN 26 N 1.82 6.07 0.03 2.95 -0.87 -0.50 -3.65 114.94 120.79 1dco s ASN 26 Ca 0.43 0.12 -0.17 0.00 -1.57 0.00 0.00 52.86 51.67 1dco s ASN 26 Cb -0.12 -1.60 -0.06 0.00 -0.02 0.00 0.00 41.25 39.46 1dco s ASN 26 CO 0.18 -0.41 0.47 -1.61 -2.57 0.00 0.00 177.10 173.17 1dco s GLU 27 N -4.27 4.04 0.44 -0.60 2.02 -1.26 -0.04 118.70 119.02 1dco s GLU 27 Ca 0.43 0.54 -0.22 0.00 0.02 0.00 0.00 54.97 55.74 1dco s GLU 27 Cb -0.10 -3.23 -0.09 0.00 0.10 0.00 0.00 34.13 30.81 1dco s GLU 27 CO 0.33 0.66 1.04 -1.17 0.02 0.00 0.00 175.26 176.15 1dco s LEU 28 N -1.06 3.99 -0.38 1.80 2.96 0.32 -4.84 118.68 121.48 1dco s LEU 28 Ca 0.26 1.97 -0.21 0.00 -0.22 0.00 0.00 54.13 55.92 1dco s LEU 28 Cb -0.18 -4.38 0.01 0.00 0.50 0.00 0.00 46.19 42.15 1dco s LEU 28 CO 0.16 -0.62 0.69 -0.70 -1.32 0.00 0.00 176.35 174.56 1dco s GLU 29 N -2.87 3.59 0.00 1.98 -6.30 -1.26 -4.13 118.70 109.71 1dco s GLU 29 Ca 0.62 0.02 0.00 0.00 -2.50 0.00 0.00 54.97 53.11 1dco s GLU 29 Cb -0.19 -3.85 0.00 0.00 0.00 0.00 0.00 34.13 30.09 1dco s GLU 29 CO 0.23 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.06 1dco n GLY 30 N 4.75 0.90 3.62 -1.50 0.00 -1.26 -5.06 105.19 106.63 1dco n GLY 30 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 1dco n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dco s ARG 31 N -4.08 0.34 -0.79 1.61 1.81 -1.26 -5.08 118.95 111.50 1dco s ARG 31 Ca 0.00 0.17 -0.21 0.00 -1.72 0.00 0.00 55.73 53.97 1dco s ARG 31 Cb 0.00 0.16 0.09 0.00 -0.45 0.00 0.00 34.95 34.76 1dco s ARG 31 CO 0.00 -0.09 1.06 0.34 -0.68 0.00 0.00 175.30 175.93 1dco s ASP 32 N -0.69 6.38 0.11 0.23 2.15 -1.26 -4.53 116.67 119.07 1dco s ASP 32 Ca 0.04 -1.46 -0.25 0.00 0.43 0.00 0.00 52.55 51.30 1dco s ASP 32 Cb -0.02 -2.42 0.07 0.00 -0.30 0.00 0.00 42.92 40.25 1dco s ASP 32 CO -0.05 -1.29 0.82 0.00 -0.17 0.00 0.00 175.17 174.48 1dco s ALA 33 N 3.53 -1.64 0.11 3.66 0.00 -1.26 -3.67 121.76 122.48 1dco s ALA 33 Ca 0.28 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1dco s ALA 33 Cb -0.11 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1dco s ALA 33 CO 0.01 -0.85 -0.20 0.96 0.00 0.00 0.00 175.76 175.68 1dco s ILE 34 N -3.42 1.66 0.08 0.00 -4.36 -0.90 -0.52 121.20 113.74 1dco s ILE 34 Ca 0.07 -1.59 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 1dco s ILE 34 Cb -0.02 -1.56 0.02 0.00 1.25 0.00 0.00 42.46 42.15 1dco s ILE 34 CO -0.05 -0.13 0.29 0.72 0.24 0.00 0.00 174.94 176.01 1dco s PHE 35 N -1.35 -0.04 -0.03 1.37 -0.71 0.94 -1.18 117.98 116.97 1dco s PHE 35 Ca 0.07 -0.25 -0.26 0.00 -1.04 0.00 0.00 56.93 55.46 1dco s PHE 35 Cb -0.09 0.08 0.06 0.00 -1.21 0.00 0.00 43.02 41.86 1dco s PHE 35 CO 0.04 -0.57 0.57 0.21 -1.34 0.00 0.00 175.22 174.13 1dco s LYS 36 N -3.33 0.95 -0.05 1.99 2.47 -0.23 -1.40 119.74 120.13 1dco s LYS 36 Ca 0.00 0.10 0.04 0.00 -1.56 0.00 0.00 55.97 54.56 1dco s LYS 36 Cb 0.02 0.44 0.00 0.00 -1.46 0.00 0.00 37.83 36.83 1dco s LYS 36 CO -0.08 -0.29 -0.17 -1.14 0.16 0.00 0.00 175.35 173.82 1dco s GLN 37 N -1.31 1.94 -0.12 4.03 0.74 -1.26 -0.61 119.66 123.06 1dco s GLN 37 Ca -0.11 -0.61 -0.04 0.00 0.05 0.00 0.00 55.36 54.64 1dco s GLN 37 Cb -0.01 -1.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.43 1dco s GLN 37 CO 0.08 0.20 0.03 -0.06 -0.55 0.00 0.00 175.29 174.99 1dco s PHE 38 N 0.18 3.22 -0.15 1.67 0.40 0.26 -4.98 117.98 118.58 1dco s PHE 38 Ca -0.08 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1dco s PHE 38 Cb -0.13 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.51 1dco s PHE 38 CO 0.03 0.37 -0.18 -1.01 0.70 0.00 0.00 175.22 175.14 1dco s HIS 39 N -0.47 2.75 0.48 0.36 3.76 -1.26 -0.10 115.29 120.81 1dco s HIS 39 Ca 0.09 -1.18 0.05 0.00 -0.15 0.00 0.00 55.06 53.87 1dco s HIS 39 Cb -0.12 -1.87 -0.01 0.00 1.11 0.00 0.00 32.58 31.68 1dco s HIS 39 CO 0.02 -0.55 0.22 -0.06 -0.85 0.00 0.00 174.74 173.52 1dco s PHE 40 N 0.87 2.11 0.05 1.40 0.08 0.71 -4.96 117.98 118.25 1dco s PHE 40 Ca -0.05 -0.76 -0.12 0.00 0.12 0.00 0.00 56.93 56.13 1dco s PHE 40 Cb -0.15 -1.87 -0.31 0.00 -0.57 0.00 0.00 43.02 40.12 1dco s PHE 40 CO -0.02 -0.03 1.08 -0.22 -0.10 0.00 0.00 175.22 175.93 1dco h LYS 41 N 1.18 0.49 -4.28 0.44 3.11 -1.94 -3.46 116.57 112.11 1dco h LYS 41 Ca -0.41 -0.77 -0.32 0.00 -2.81 0.00 0.00 60.65 56.35 1dco h LYS 41 Cb 1.28 0.28 -0.09 0.00 -1.00 0.00 0.00 32.23 32.70 1dco h LYS 41 CO 0.67 1.36 -0.25 0.16 -2.81 0.00 0.00 179.45 178.57 1dco s ASP 42 N -7.42 1.08 0.19 4.20 1.47 -1.26 -4.91 116.67 110.02 1dco s ASP 42 Ca -0.08 -1.55 -0.04 0.00 1.18 0.00 0.00 52.55 52.06 1dco s ASP 42 Cb 0.05 0.65 0.11 0.00 -0.34 0.00 0.00 42.92 43.39 1dco s ASP 42 CO 0.92 -1.26 1.52 0.15 0.68 0.00 0.00 175.17 177.19 1dco h PHE 43 N 2.11 0.77 -0.67 2.11 3.57 -1.92 -2.28 116.94 120.62 1dco h PHE 43 Ca -0.28 -0.25 0.14 0.00 3.53 0.00 0.00 57.97 61.12 1dco h PHE 43 Cb 1.24 -0.15 -0.12 0.00 2.79 0.00 0.00 35.95 39.71 1dco h PHE 43 CO 1.55 0.99 -0.05 -0.97 -2.23 0.00 0.00 178.31 177.60 1dco h ASN 44 N 0.50 -0.39 -0.31 0.41 -0.73 -1.96 0.22 115.58 113.32 1dco h ASN 44 Ca 0.02 0.18 -0.16 0.00 1.87 0.00 0.00 56.30 58.21 1dco h ASN 44 Cb 1.03 0.33 -0.01 0.00 0.27 0.00 0.00 38.32 39.94 1dco h ASN 44 CO 0.10 -0.17 -0.43 -0.09 -0.37 0.00 0.00 177.43 176.47 1dco h ARG 45 N 0.08 0.87 -0.22 6.67 2.43 -1.95 -2.24 114.38 120.01 1dco h ARG 45 Ca 0.35 -0.48 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1dco h ARG 45 Cb 0.58 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 1dco h ARG 45 CO -0.62 1.12 -0.11 0.00 -1.51 0.00 0.00 179.97 178.86 1dco h ALA 46 N 0.81 0.08 -0.07 2.80 0.00 -0.36 -0.19 119.26 122.33 1dco h ALA 46 Ca 0.05 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1dco h ALA 46 Cb 1.01 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1dco h ALA 46 CO 0.10 -0.52 -0.82 0.35 0.00 0.00 0.00 179.25 178.36 1dco h PHE 47 N -0.08 0.70 -0.11 0.00 3.57 -0.70 -2.49 116.94 117.82 1dco h PHE 47 Ca 0.12 -0.33 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 1dco h PHE 47 Cb 0.26 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1dco h PHE 47 CO -0.28 1.12 -0.02 0.78 -2.23 0.00 0.00 178.31 177.69 1dco h GLY 48 N 1.08 0.17 1.64 2.40 0.00 -1.22 0.12 103.07 107.27 1dco h GLY 48 Ca -0.05 -0.08 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 1dco h GLY 48 CO 0.15 0.08 -0.94 -2.75 0.00 0.00 0.00 176.54 173.07 1dco h PHE 49 N 0.16 0.48 -0.11 5.60 3.57 -0.87 -3.09 116.94 122.67 1dco h PHE 49 Ca 0.04 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 1dco h PHE 49 Cb 0.15 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1dco h PHE 49 CO 0.00 1.09 0.05 0.52 -2.23 0.00 0.00 178.31 177.75 1dco h MET 50 N 0.17 0.16 -0.16 1.11 2.86 -0.63 -2.97 114.93 115.47 1dco h MET 50 Ca -0.07 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1dco h MET 50 Cb 1.58 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.16 1dco h MET 50 CO 0.15 0.24 -0.18 1.15 1.06 0.00 0.00 176.91 179.34 1dco h THR 51 N 0.04 0.53 -0.91 2.22 2.02 -0.87 0.30 112.91 116.24 1dco h THR 51 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.33 1dco h THR 51 Cb 0.14 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 1dco h THR 51 CO -0.00 0.00 0.59 0.03 0.37 0.00 0.00 175.52 176.50 1dco h ARG 52 N -0.21 0.84 -0.11 6.66 3.08 -1.54 0.26 114.38 123.35 1dco h ARG 52 Ca 0.11 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1dco h ARG 52 Cb 0.37 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1dco h ARG 52 CO -0.28 0.55 -0.52 0.28 -1.07 0.00 0.00 179.97 178.93 1dco h VAL 53 N 0.86 1.36 -0.23 2.04 2.07 -1.28 -1.94 116.25 119.13 1dco h VAL 53 Ca 0.44 -1.83 0.06 0.00 0.82 0.00 0.00 66.70 66.18 1dco h VAL 53 Cb 0.49 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 1dco h VAL 53 CO -0.20 0.55 -0.21 0.00 0.02 0.00 0.00 177.57 177.73 1dco h ALA 54 N 0.48 -0.09 -0.85 1.67 0.00 0.91 0.60 119.26 121.98 1dco h ALA 54 Ca -0.03 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1dco h ALA 54 Cb 1.16 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 1dco h ALA 54 CO 0.11 -0.64 0.48 -0.07 0.00 0.00 0.00 179.25 179.13 1dco h LEU 55 N -0.22 0.65 -0.23 0.00 3.38 -0.99 0.21 115.31 118.11 1dco h LEU 55 Ca 0.13 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 1dco h LEU 55 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1dco h LEU 55 CO -0.36 0.34 -0.59 -0.61 0.09 0.00 0.00 178.44 177.31 1dco h GLN 56 N 0.75 0.80 0.12 1.13 5.75 -0.38 -2.63 115.11 120.65 1dco h GLN 56 Ca 0.43 -0.56 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1dco h GLN 56 Cb 0.48 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1dco h GLN 56 CO -0.29 1.18 -0.13 0.00 -2.65 0.00 0.00 178.83 176.94 1dco h ALA 57 N 0.62 -0.25 -0.62 3.38 0.00 0.24 -1.50 119.26 121.13 1dco h ALA 57 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1dco h ALA 57 Cb 1.20 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1dco h ALA 57 CO 0.13 -0.66 0.42 1.49 0.00 0.00 0.00 179.25 180.62 1dco h GLU 58 N -0.28 0.45 0.00 0.00 4.57 -0.76 0.63 114.58 119.19 1dco h GLU 58 Ca 0.01 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1dco h GLU 58 Cb 0.28 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1dco h GLU 58 CO -0.05 0.30 -0.55 -0.22 -1.18 0.00 0.00 179.01 177.31 1dco h LYS 59 N 0.47 0.00 -0.01 1.92 3.64 -0.90 -3.20 116.57 118.49 1dco h LYS 59 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1dco h LYS 59 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1dco h LYS 59 CO -0.08 0.55 -0.35 1.28 -2.27 0.00 0.00 179.45 178.57 1dco n LEU 60 N -3.86 1.28 -2.34 5.20 4.77 -0.30 -4.99 117.00 116.76 1dco n LEU 60 Ca -0.01 -0.71 -0.16 0.00 -0.03 0.00 0.00 56.01 55.10 1dco n LEU 60 Cb 0.56 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1dco n LEU 60 CO 0.41 0.26 0.04 -0.67 -1.33 0.00 0.00 177.39 176.09 1dco n ASP 61 N -0.42 -4.93 -3.85 -1.43 2.03 0.21 -4.99 116.55 103.17 1dco n ASP 61 Ca 0.05 -0.25 -0.29 0.00 0.52 0.00 0.00 54.79 54.82 1dco n ASP 61 Cb 0.27 -3.73 -0.16 0.00 -0.72 0.00 0.00 41.12 36.78 1dco n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dco s HIS 62 N -3.05 1.92 -0.19 -0.67 2.46 -1.09 -5.04 115.29 109.63 1dco s HIS 62 Ca 0.26 -1.52 -0.05 0.00 0.47 0.00 0.00 55.06 54.23 1dco s HIS 62 Cb -0.12 -1.48 -0.02 0.00 -0.13 0.00 0.00 32.58 30.83 1dco s HIS 62 CO 0.32 -0.74 -0.01 -1.01 -2.47 0.00 0.00 174.74 170.83 1dco s HIS 63 N 1.55 3.04 0.87 3.88 3.76 -1.26 -4.41 115.29 122.72 1dco s HIS 63 Ca -0.01 -0.45 -0.13 0.00 -0.15 0.00 0.00 55.06 54.32 1dco s HIS 63 Cb -0.18 -2.07 0.12 0.00 1.11 0.00 0.00 32.58 31.56 1dco s HIS 63 CO -0.09 -0.22 1.18 -1.25 -0.85 0.00 0.00 174.74 173.50 1dco s PRO 64 N 0.93 1.46 -0.37 8.40 0.04 -1.26 -4.95 135.00 139.24 1dco s PRO 64 Ca 0.01 0.12 -0.13 0.00 0.04 0.00 0.00 61.00 61.04 1dco s PRO 64 Cb -0.14 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1dco s PRO 64 CO 0.02 -1.95 0.24 -1.21 0.04 0.00 0.00 177.00 174.14 1dco s GLU 65 N -5.50 3.13 0.01 4.56 2.02 -1.02 -5.00 118.70 116.89 1dco s GLU 65 Ca 0.64 -0.89 -0.02 0.00 0.02 0.00 0.00 54.97 54.72 1dco s GLU 65 Cb -0.12 -3.81 -0.01 0.00 0.10 0.00 0.00 34.13 30.30 1dco s GLU 65 CO 0.51 -0.61 0.02 1.67 0.02 0.00 0.00 175.26 176.87 1dco s TRP 66 N 1.65 0.14 -0.09 1.61 -2.14 -1.26 -0.79 118.94 118.06 1dco s TRP 66 Ca 0.04 -0.28 0.03 0.00 2.66 0.00 0.00 56.10 58.56 1dco s TRP 66 Cb -0.18 -0.11 0.00 0.00 -3.10 0.00 0.00 33.47 30.08 1dco s TRP 66 CO 0.09 -0.15 -0.21 0.12 -2.66 0.00 0.00 176.95 174.14 1dco s PHE 67 N -1.01 2.27 0.08 1.66 5.36 0.13 -4.96 117.98 121.51 1dco s PHE 67 Ca -0.11 -0.93 0.08 0.00 -0.96 0.00 0.00 56.93 55.01 1dco s PHE 67 Cb -0.07 -1.54 -0.03 0.00 -0.34 0.00 0.00 43.02 41.04 1dco s PHE 67 CO -0.00 -0.39 -0.20 1.21 -1.46 0.00 0.00 175.22 174.37 1dco s ASN 68 N 0.46 2.43 -0.08 6.13 3.84 -1.26 -1.06 114.94 125.39 1dco s ASN 68 Ca -0.17 -0.61 -0.03 0.00 0.21 0.00 0.00 52.86 52.26 1dco s ASN 68 Cb -0.17 -0.16 0.05 0.00 -0.55 0.00 0.00 41.25 40.41 1dco s ASN 68 CO 0.07 0.09 0.16 -0.69 -2.79 0.00 0.00 177.10 173.94 1dco s VAL 69 N -1.01 -0.22 0.00 -5.21 1.01 -0.61 -5.01 120.40 109.35 1dco s VAL 69 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1dco s VAL 69 Cb -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1dco s VAL 69 CO 0.03 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.27 1dco n TYR 70 N 5.11 0.00 -1.06 5.22 9.36 -1.26 0.01 117.16 134.54 1dco n TYR 70 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1dco n TYR 70 Cb 0.50 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 39.51 1dco n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dco n ASN 71 N 3.18 4.46 -4.15 2.98 6.94 -1.26 -4.22 115.26 123.19 1dco n ASN 71 Ca 0.00 -3.19 -0.28 0.00 -0.02 0.00 0.00 54.58 51.09 1dco n ASN 71 Cb 0.00 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 36.59 1dco n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dco s LYS 72 N -2.95 2.18 -0.12 -3.83 1.02 0.10 -0.21 119.74 115.94 1dco s LYS 72 Ca 0.50 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.81 1dco s LYS 72 Cb 0.41 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.96 1dco s LYS 72 CO 0.11 0.20 -0.03 0.08 -0.92 0.00 0.00 175.35 174.80 1dco s VAL 73 N 0.21 0.75 -0.19 3.17 1.01 0.85 -1.58 120.40 124.62 1dco s VAL 73 Ca -0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1dco s VAL 73 Cb -0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1dco s VAL 73 CO 0.04 0.19 0.01 -2.28 0.00 0.00 0.00 175.10 173.06 1dco s HIS 74 N 1.80 3.07 -0.06 5.22 5.04 -0.23 -0.58 115.29 129.55 1dco s HIS 74 Ca 0.03 -0.35 0.05 0.00 -1.54 0.00 0.00 55.06 53.25 1dco s HIS 74 Cb -0.14 -2.07 -0.01 0.00 0.04 0.00 0.00 32.58 30.40 1dco s HIS 74 CO -0.07 -0.16 -0.23 0.42 -2.34 0.00 0.00 174.74 172.36 1dco s ILE 75 N 0.85 1.91 -0.08 0.89 1.01 0.21 -0.69 121.20 125.29 1dco s ILE 75 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1dco s ILE 75 Cb -0.14 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1dco s ILE 75 CO 0.02 0.53 -0.22 -0.89 0.00 0.00 0.00 174.94 174.38 1dco s THR 76 N -0.03 1.87 -0.15 2.92 2.01 0.03 -1.07 115.64 121.22 1dco s THR 76 Ca -0.06 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.02 1dco s THR 76 Cb -0.14 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.77 1dco s THR 76 CO 0.04 0.52 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.57 1dco s LEU 77 N 0.29 1.83 -0.20 4.42 1.43 -0.33 -2.44 118.68 123.68 1dco s LEU 77 Ca -0.15 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.23 1dco s LEU 77 Cb -0.17 -1.27 0.05 0.00 0.03 0.00 0.00 46.19 44.84 1dco s LEU 77 CO 0.07 -0.03 0.53 -0.55 0.23 0.00 0.00 176.35 176.60 1dco s SER 78 N 1.38 -0.55 -0.10 2.29 0.15 -1.26 -2.12 113.70 113.48 1dco s SER 78 Ca 0.04 1.06 -0.26 0.00 0.70 0.00 0.00 55.95 57.48 1dco s SER 78 Cb -0.13 1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 1dco s SER 78 CO -0.11 -0.19 0.85 -0.89 1.20 0.00 0.00 173.24 174.11 1dco s THR 79 N 0.25 4.91 0.02 6.45 2.01 0.36 -4.88 115.64 124.76 1dco s THR 79 Ca -0.00 1.73 -0.25 0.00 0.31 0.00 0.00 61.69 63.48 1dco s THR 79 Cb -0.04 -4.18 -0.18 0.00 0.01 0.00 0.00 72.50 68.12 1dco s THR 79 CO 0.01 0.11 1.39 -0.74 -0.69 0.00 0.00 174.62 174.69 1dco h HIS 80 N 7.04 -0.17 -0.83 4.92 2.76 -1.96 0.33 115.15 127.25 1dco h HIS 80 Ca -0.35 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 57.97 1dco h HIS 80 Cb 1.17 0.06 -0.15 0.00 1.55 0.00 0.00 27.41 30.04 1dco h HIS 80 CO 0.69 0.13 -0.26 0.39 -1.30 0.00 0.00 177.93 177.58 1dco n GLU 81 N -5.04 -0.13 0.02 5.26 1.02 -1.26 -0.36 120.64 120.15 1dco n GLU 81 Ca -0.09 1.28 0.11 0.00 -0.02 0.00 0.00 57.16 58.45 1dco n GLU 81 Cb 0.20 -1.91 0.03 0.00 -0.02 0.00 0.00 31.44 29.75 1dco n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dco n ALA 83 N -1.79 -1.71 0.00 0.00 0.00 0.11 -4.93 120.51 112.18 1dco n ALA 83 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1dco n ALA 83 Cb 0.43 -3.73 0.00 0.00 0.00 0.00 0.00 19.45 16.14 1dco n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dco n GLY 84 N -1.50 -1.48 3.58 0.00 0.00 -0.67 -4.65 105.19 100.47 1dco n GLY 84 Ca -0.16 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1dco n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dco s LEU 85 N 0.00 3.45 0.00 0.99 1.43 -1.24 -0.49 118.68 122.81 1dco s LEU 85 Ca 0.00 0.85 0.07 0.00 -1.03 0.00 0.00 54.13 54.02 1dco s LEU 85 Cb 0.00 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 43.10 1dco s LEU 85 CO 0.00 -1.87 0.54 -1.54 0.23 0.00 0.00 176.35 173.71 1dco n SER 86 N 10.75 2.54 0.22 2.29 3.41 -1.26 0.13 113.62 131.69 1dco n SER 86 Ca 0.20 -2.77 0.07 0.00 -0.26 0.00 0.00 58.87 56.11 1dco n SER 86 Cb 0.49 -0.17 0.50 0.00 -0.26 0.00 0.00 64.21 64.77 1dco n SER 86 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1dco h GLU 87 N 0.00 0.00 -0.48 4.33 4.11 -1.94 -3.06 114.58 117.54 1dco h GLU 87 Ca -0.32 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.21 1dco h GLU 87 Cb 1.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1dco h GLU 87 CO 0.49 0.26 -0.15 0.00 0.07 0.00 0.00 179.01 179.68 1dco h ARG 88 N 0.00 -0.04 -0.58 1.06 3.08 -1.97 0.23 114.38 116.16 1dco h ARG 88 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1dco h ARG 88 Cb 0.55 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1dco h ARG 88 CO 0.03 -0.02 0.29 -0.44 -1.07 0.00 0.00 179.97 178.76 1dco h ASP 89 N -0.04 0.39 0.10 7.04 3.32 -1.91 0.34 116.42 125.66 1dco h ASP 89 Ca 0.23 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1dco h ASP 89 Cb 0.39 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1dco h ASP 89 CO -0.52 0.26 -0.11 0.40 -1.72 0.00 0.00 179.24 177.55 1dco h ILE 90 N 0.54 0.00 -0.97 0.35 1.08 -0.68 0.15 117.51 117.98 1dco h ILE 90 Ca 0.27 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.91 1dco h ILE 90 Cb 0.21 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.86 1dco h ILE 90 CO -0.20 0.00 0.57 0.78 -0.69 0.00 0.00 178.15 178.60 1dco h ASN 91 N -0.21 0.73 -0.62 1.72 -0.26 -0.85 -1.09 115.58 115.00 1dco h ASN 91 Ca -0.01 0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 1dco h ASN 91 Cb 0.18 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1dco h ASN 91 CO -0.02 0.28 0.28 0.25 -1.06 0.00 0.00 177.43 177.16 1dco h LEU 92 N 0.75 0.82 -0.57 1.61 5.85 0.23 -1.54 115.31 122.46 1dco h LEU 92 Ca 0.54 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.20 1dco h LEU 92 Cb 0.80 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1dco h LEU 92 CO -0.37 0.74 0.21 0.00 -0.34 0.00 0.00 178.44 178.68 1dco h ALA 93 N 1.12 0.72 -0.50 1.25 0.00 0.52 0.30 119.26 122.66 1dco h ALA 93 Ca 0.21 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1dco h ALA 93 Cb 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dco h ALA 93 CO -0.02 -0.20 -0.05 0.77 0.00 0.00 0.00 179.25 179.75 1dco h SER 94 N 0.39 0.92 -0.54 0.00 0.02 -0.89 0.59 113.55 114.03 1dco h SER 94 Ca 0.28 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1dco h SER 94 Cb 0.33 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1dco h SER 94 CO -0.28 1.03 0.35 0.15 -1.14 0.00 0.00 176.83 176.94 1dco h PHE 95 N 0.79 0.70 -0.14 3.45 3.04 -0.28 -0.26 116.94 124.24 1dco h PHE 95 Ca 0.14 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1dco h PHE 95 Cb 0.59 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1dco h PHE 95 CO 0.04 0.45 0.08 0.82 -2.02 0.00 0.00 178.31 177.69 1dco h ILE 96 N 0.75 1.06 -0.27 1.41 2.04 0.11 -0.71 117.51 121.90 1dco h ILE 96 Ca 0.20 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1dco h ILE 96 Cb -0.06 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1dco h ILE 96 CO -0.04 0.06 -0.24 -0.33 0.00 0.00 0.00 178.15 177.59 1dco h GLU 97 N 0.16 -0.23 -0.73 2.37 4.39 0.16 0.13 114.58 120.83 1dco h GLU 97 Ca 0.05 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.86 1dco h GLU 97 Cb 0.02 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 1dco h GLU 97 CO -0.01 -0.15 0.37 0.37 -1.16 0.00 0.00 179.01 178.42 1dco h GLN 98 N -0.24 0.60 -0.62 2.33 4.15 -0.88 -1.08 115.11 119.36 1dco h GLN 98 Ca 0.14 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1dco h GLN 98 Cb 0.46 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1dco h GLN 98 CO -0.41 0.39 0.12 0.28 -1.93 0.00 0.00 178.83 177.28 1dco h VAL 99 N 0.61 1.26 -0.77 2.39 2.07 -0.31 -3.03 116.25 118.47 1dco h VAL 99 Ca 0.36 -0.98 0.15 0.00 0.82 0.00 0.00 66.70 67.05 1dco h VAL 99 Cb 0.39 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 1dco h VAL 99 CO -0.28 0.37 0.31 0.00 0.02 0.00 0.00 177.57 177.99 1dco h ALA 100 N 1.03 1.10 -0.38 1.67 0.00 0.49 -1.95 119.26 121.22 1dco h ALA 100 Ca 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1dco h ALA 100 Cb 0.41 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1dco h ALA 100 CO 0.01 -0.21 0.20 0.28 0.00 0.00 0.00 179.25 179.52 1dco h VAL 101 N 0.45 1.16 -0.64 0.00 2.07 -1.29 0.78 116.25 118.76 1dco h VAL 101 Ca 0.43 -0.42 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1dco h VAL 101 Cb 0.66 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 31.05 1dco h VAL 101 CO -0.41 0.16 -0.08 0.28 0.02 0.00 0.00 177.57 177.54 1dco h SER 102 N 0.48 -0.44 0.02 0.57 0.02 -1.29 -3.14 113.55 109.77 1dco h SER 102 Ca 0.13 0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1dco h SER 102 Cb 0.08 0.34 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1dco h SER 102 CO -0.02 -0.17 -0.18 0.24 -1.14 0.00 0.00 176.83 175.56 1dco h MET 103 N 0.05 0.08 0.00 3.45 2.86 -1.53 -3.53 114.93 116.32 1dco h MET 103 Ca 0.33 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1dco h MET 103 Cb 0.53 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1dco h MET 103 CO -0.61 0.99 0.00 2.41 1.06 0.00 0.00 176.91 180.76