#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dch s ARG 7 N 0.00 1.10 0.00 1.57 3.52 -1.26 -4.60 118.95 119.28 1dch s ARG 7 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 1dch s ARG 7 Cb 0.00 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.70 1dch s ARG 7 CO 0.00 -0.41 0.00 1.28 -0.81 0.00 0.00 175.30 175.36 1dch n LEU 8 N 4.99 0.00 -4.59 -0.88 4.32 0.31 -4.71 117.00 116.43 1dch n LEU 8 Ca -0.10 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.48 1dch n LEU 8 Cb 0.49 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1dch n LEU 8 CO 0.14 0.00 0.52 -0.24 -1.22 0.00 0.00 177.39 176.59 1dch n SER 9 N 0.00 0.93 0.00 -1.43 2.88 -1.26 -4.65 113.62 110.10 1dch n SER 9 Ca 0.00 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1dch n SER 9 Cb 0.00 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1dch n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dch n ALA 10 N -0.72 0.00 -0.21 -1.46 0.00 -1.26 -0.13 120.51 116.73 1dch n ALA 10 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1dch n ALA 10 Cb 0.40 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1dch n ALA 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1dch n GLU 11 N -0.53 0.00 0.00 0.00 -0.00 -1.26 -3.46 120.64 115.39 1dch n GLU 11 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 57.16 57.82 1dch n GLU 11 Cb 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 31.44 30.05 1dch n GLU 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1dch n GLU 12 N -2.16 0.00 0.00 3.44 1.02 -0.92 0.92 120.64 122.94 1dch n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1dch n GLU 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1dch n GLU 12 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1dch n ARG 13 N -0.76 0.00 0.00 3.49 0.63 0.82 -1.16 116.66 119.68 1dch n ARG 13 Ca 0.00 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1dch n ARG 13 Cb 0.00 -0.61 0.00 0.00 0.45 0.00 0.00 32.46 32.30 1dch n ARG 13 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1dch n ASP 14 N -0.51 0.00 -0.01 6.15 2.03 0.26 0.82 116.55 125.29 1dch n ASP 14 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1dch n ASP 14 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1dch n ASP 14 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1dch n GLN 15 N -0.12 0.04 0.24 -0.67 7.27 -0.31 -4.78 117.38 119.05 1dch n GLN 15 Ca 0.00 0.01 -0.11 0.00 0.07 0.00 0.00 57.00 56.98 1dch n GLN 15 Cb 0.00 -0.90 -0.05 0.00 2.41 0.00 0.00 30.24 31.70 1dch n GLN 15 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1dch h LEU 16 N -0.02 -0.57 -1.68 1.69 3.38 0.11 -3.33 115.31 114.90 1dch h LEU 16 Ca -0.04 0.00 0.51 0.00 0.09 0.00 0.00 57.88 58.44 1dch h LEU 16 Cb 1.06 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 1dch h LEU 16 CO -0.01 -0.15 1.17 0.18 0.09 0.00 0.00 178.44 179.71 1dch n LEU 17 N -5.22 0.07 0.45 1.67 4.32 -1.00 -2.55 117.00 114.74 1dch n LEU 17 Ca -0.09 1.07 -0.19 0.00 -0.02 0.00 0.00 56.01 56.78 1dch n LEU 17 Cb 0.27 -0.53 -0.09 0.00 -1.62 0.00 0.00 43.42 41.45 1dch n LEU 17 CO 0.21 -1.10 0.56 -0.65 -1.22 0.00 0.00 177.39 175.18 1dch h PRO 18 N 0.00 -1.11 -0.44 3.23 0.10 -1.84 2.47 132.00 134.42 1dch h PRO 18 Ca 0.87 0.08 0.13 0.00 0.10 0.00 0.00 66.00 67.17 1dch h PRO 18 Cb 3.27 0.25 -0.02 0.00 0.10 0.00 0.00 31.00 34.60 1dch h PRO 18 CO -0.16 -0.73 0.46 -2.95 0.10 0.00 0.00 178.00 174.72 1dch h ASN 19 N -1.19 0.00 0.15 -2.05 -0.00 -1.74 2.92 115.58 113.66 1dch h ASN 19 Ca -0.12 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 55.92 1dch h ASN 19 Cb 0.89 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.22 1dch h ASN 19 CO 0.19 0.00 -1.24 -0.07 -0.00 0.00 0.00 177.43 176.32 1dch h LEU 20 N 0.00 0.49 -0.70 6.14 3.38 -1.27 -3.32 115.31 120.03 1dch h LEU 20 Ca 0.21 -0.90 0.07 0.00 0.09 0.00 0.00 57.88 57.34 1dch h LEU 20 Cb 1.12 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1dch h LEU 20 CO -0.00 1.56 0.39 0.03 0.09 0.00 0.00 178.44 180.51 1dch h ARG 21 N -0.24 0.69 -0.00 1.13 2.47 2.19 -0.49 114.38 120.12 1dch h ARG 21 Ca -0.25 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1dch h ARG 21 Cb 1.80 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.96 1dch h ARG 21 CO 0.13 0.45 0.01 0.00 0.56 0.00 0.00 179.97 181.12 1dch h ALA 22 N 1.37 1.22 -0.33 0.04 0.00 0.15 -2.87 119.26 118.85 1dch h ALA 22 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dch h ALA 22 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dch h ALA 22 CO -0.20 -0.01 0.00 1.55 0.00 0.00 0.00 179.25 180.59 1dch n VAL 23 N -3.38 0.42 0.00 0.00 3.14 -0.22 -4.92 118.33 113.37 1dch n VAL 23 Ca -0.03 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 1dch n VAL 23 Cb 0.09 1.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.93 1dch n VAL 23 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dch n GLY 24 N 1.44 2.14 3.72 7.55 0.00 -1.08 -5.10 105.19 113.87 1dch n GLY 24 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1dch n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dch s TRP 25 N -2.06 2.15 -0.30 1.61 0.52 -1.06 -4.72 118.94 115.08 1dch s TRP 25 Ca 0.00 1.62 -0.13 0.00 0.02 0.00 0.00 56.10 57.60 1dch s TRP 25 Cb 0.00 -3.17 0.17 0.00 -1.15 0.00 0.00 33.47 29.32 1dch s TRP 25 CO 0.00 -2.30 0.99 1.21 0.02 0.00 0.00 176.95 176.87 1dch s ASN 26 N -3.09 -0.58 0.16 2.95 3.04 -1.05 -4.61 114.94 111.76 1dch s ASN 26 Ca 0.64 0.60 -0.31 0.00 0.04 0.00 0.00 52.86 53.82 1dch s ASN 26 Cb -0.20 1.58 -0.11 0.00 -1.54 0.00 0.00 41.25 40.99 1dch s ASN 26 CO 0.57 -0.11 1.71 -1.61 -3.04 0.00 0.00 177.10 174.62 1dch s GLU 27 N 2.63 4.16 0.63 0.43 8.01 -1.26 -2.03 118.70 131.28 1dch s GLU 27 Ca 0.00 2.51 -0.18 0.00 0.01 0.00 0.00 54.97 57.31 1dch s GLU 27 Cb -0.08 -3.29 -0.02 0.00 -4.31 0.00 0.00 34.13 26.43 1dch s GLU 27 CO -0.16 -0.74 1.23 -0.51 0.01 0.00 0.00 175.26 175.10 1dch s LEU 28 N 1.75 3.59 0.01 1.80 1.43 0.50 -4.94 118.68 122.82 1dch s LEU 28 Ca 0.75 2.45 -0.23 0.00 -1.03 0.00 0.00 54.13 56.07 1dch s LEU 28 Cb -0.46 -4.60 -0.17 0.00 0.03 0.00 0.00 46.19 40.99 1dch s LEU 28 CO 0.33 -1.81 1.34 -0.33 0.23 0.00 0.00 176.35 176.11 1dch h GLU 29 N 0.61 0.16 -1.19 1.70 4.39 -1.92 -3.33 114.58 115.00 1dch h GLU 29 Ca -0.50 -0.08 -0.32 0.00 0.34 0.00 0.00 59.36 58.81 1dch h GLU 29 Cb 1.31 -0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.79 1dch h GLU 29 CO 0.54 0.56 0.40 0.41 -1.16 0.00 0.00 179.01 179.76 1dch n GLY 30 N 0.09 3.75 0.00 -3.84 0.00 -1.26 -4.96 105.19 98.97 1dch n GLY 30 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1dch n GLY 30 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dch n ARG 31 N -0.14 -2.97 -2.59 1.61 1.85 -1.25 -5.07 116.66 108.09 1dch n ARG 31 Ca 0.33 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.78 1dch n ARG 31 Cb 0.91 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 32.33 1dch n ARG 31 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1dch n ASP 32 N 1.25 7.17 -3.68 2.89 2.03 -1.26 -4.47 116.55 120.48 1dch n ASP 32 Ca 0.00 -3.70 -0.22 0.00 0.52 0.00 0.00 54.79 51.39 1dch n ASP 32 Cb 0.00 -1.11 -0.08 0.00 -0.72 0.00 0.00 41.12 39.21 1dch n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dch s ALA 33 N -4.25 2.30 0.01 -1.67 0.00 -1.26 -1.74 121.76 115.15 1dch s ALA 33 Ca 0.41 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.70 1dch s ALA 33 Cb 0.22 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.51 1dch s ALA 33 CO -0.16 -0.53 -0.10 0.96 0.00 0.00 0.00 175.76 175.93 1dch s ILE 34 N -3.36 0.81 0.31 0.00 -4.36 -1.17 -0.37 121.20 113.05 1dch s ILE 34 Ca 0.33 -0.64 0.09 0.00 -0.26 0.00 0.00 60.65 60.18 1dch s ILE 34 Cb 0.02 -0.71 -0.05 0.00 1.25 0.00 0.00 42.46 42.97 1dch s ILE 34 CO 0.22 0.08 0.01 0.72 0.24 0.00 0.00 174.94 176.20 1dch s PHE 35 N -0.53 2.60 -0.18 1.37 -0.71 -0.86 -0.56 117.98 119.13 1dch s PHE 35 Ca 0.01 -0.33 -0.18 0.00 -1.04 0.00 0.00 56.93 55.39 1dch s PHE 35 Cb -0.05 -1.35 0.05 0.00 -1.21 0.00 0.00 43.02 40.46 1dch s PHE 35 CO 0.00 0.54 0.50 0.21 -1.34 0.00 0.00 175.22 175.13 1dch s LYS 36 N -3.70 0.60 -0.55 1.99 2.36 0.18 -2.54 119.74 118.08 1dch s LYS 36 Ca 0.33 0.65 0.04 0.00 -2.55 0.00 0.00 55.97 54.45 1dch s LYS 36 Cb -0.03 0.29 0.37 0.00 -1.05 0.00 0.00 37.83 37.41 1dch s LYS 36 CO 0.20 -0.08 1.10 0.94 1.55 0.00 0.00 175.35 179.05 1dch n GLN 37 N 2.69 3.41 -1.47 4.03 0.00 -1.26 0.33 117.38 125.11 1dch n GLN 37 Ca -0.14 -4.66 -0.48 0.00 -0.00 0.00 0.00 57.00 51.72 1dch n GLN 37 Cb 0.57 -2.26 -0.03 0.00 0.00 0.00 0.00 30.24 28.52 1dch n GLN 37 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1dch n PHE 38 N -0.35 0.21 -4.46 3.69 3.01 -0.70 -4.72 117.46 114.15 1dch n PHE 38 Ca 0.36 0.88 -0.33 0.00 1.01 0.00 0.00 57.45 59.37 1dch n PHE 38 Cb 0.49 -2.07 -0.16 0.00 -0.01 0.00 0.00 39.48 37.73 1dch n PHE 38 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1dch s HIS 39 N -0.85 2.74 0.32 1.38 3.76 -1.26 -1.45 115.29 119.92 1dch s HIS 39 Ca 0.66 -1.32 0.06 0.00 -0.15 0.00 0.00 55.06 54.31 1dch s HIS 39 Cb -0.89 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 30.86 1dch s HIS 39 CO 0.57 -0.62 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.76 1dch s PHE 40 N 0.96 2.10 0.20 1.40 0.40 0.17 -5.00 117.98 118.21 1dch s PHE 40 Ca -0.03 -0.75 -0.12 0.00 -0.60 0.00 0.00 56.93 55.43 1dch s PHE 40 Cb -0.15 -1.31 0.23 0.00 0.51 0.00 0.00 43.02 42.31 1dch s PHE 40 CO -0.04 0.26 1.72 -0.22 0.70 0.00 0.00 175.22 177.64 1dch h LYS 41 N 2.12 0.27 -3.99 0.44 3.64 -1.82 -3.43 116.57 113.80 1dch h LYS 41 Ca -0.41 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 58.75 1dch h LYS 41 Cb 1.24 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.91 1dch h LYS 41 CO 0.71 0.18 -0.19 0.16 -2.27 0.00 0.00 179.45 178.03 1dch s ASP 42 N -5.33 0.54 0.08 4.20 1.47 -1.26 -4.94 116.67 111.43 1dch s ASP 42 Ca -0.13 -1.31 -0.32 0.00 1.18 0.00 0.00 52.55 51.97 1dch s ASP 42 Cb 0.16 0.62 -0.17 0.00 -0.34 0.00 0.00 42.92 43.20 1dch s ASP 42 CO 0.73 -1.23 1.62 0.15 0.68 0.00 0.00 175.17 177.13 1dch h PHE 43 N 2.19 -0.87 -1.10 2.11 3.57 -1.90 -1.93 116.94 119.01 1dch h PHE 43 Ca -0.28 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.51 1dch h PHE 43 Cb 1.24 0.31 -0.09 0.00 2.79 0.00 0.00 35.95 40.21 1dch h PHE 43 CO 1.08 -0.50 0.73 -0.97 -2.23 0.00 0.00 178.31 176.41 1dch h ASN 44 N -0.82 0.32 0.90 0.41 -0.73 -1.97 1.34 115.58 115.02 1dch h ASN 44 Ca -0.06 0.07 -0.19 0.00 1.87 0.00 0.00 56.30 57.99 1dch h ASN 44 Cb 0.67 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 1dch h ASN 44 CO 0.07 0.04 -1.18 -0.09 -0.37 0.00 0.00 177.43 175.89 1dch h ARG 45 N 0.27 0.00 0.02 6.67 2.43 -1.96 -2.98 114.38 118.83 1dch h ARG 45 Ca 0.61 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.78 1dch h ARG 45 Cb 1.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1dch h ARG 45 CO -0.24 0.51 -0.01 0.00 -1.51 0.00 0.00 179.97 178.72 1dch h ALA 46 N 1.28 -0.03 0.00 2.80 0.00 0.21 -2.44 119.26 121.08 1dch h ALA 46 Ca -0.12 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1dch h ALA 46 Cb 1.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1dch h ALA 46 CO 0.07 -0.15 -0.32 0.35 0.00 0.00 0.00 179.25 179.20 1dch h PHE 47 N -0.77 0.00 -0.53 0.00 3.57 0.53 -0.55 116.94 119.19 1dch h PHE 47 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1dch h PHE 47 Cb 0.70 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1dch h PHE 47 CO 0.17 0.32 0.24 0.78 -2.23 0.00 0.00 178.31 177.60 1dch h GLY 48 N 2.02 0.82 0.81 2.40 0.00 -1.60 -2.31 103.07 105.20 1dch h GLY 48 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1dch h GLY 48 CO 0.04 0.39 0.02 -2.75 0.00 0.00 0.00 176.54 174.24 1dch h PHE 49 N 0.71 0.10 -0.43 5.60 3.57 -0.63 -3.21 116.94 122.64 1dch h PHE 49 Ca 0.18 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1dch h PHE 49 Cb 0.13 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.78 1dch h PHE 49 CO -0.00 0.28 0.02 0.52 -2.23 0.00 0.00 178.31 176.89 1dch h MET 50 N -0.10 0.13 -0.92 1.11 2.86 -1.05 -2.91 114.93 114.04 1dch h MET 50 Ca 0.02 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1dch h MET 50 Cb 0.23 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1dch h MET 50 CO -0.00 0.08 0.58 1.15 1.06 0.00 0.00 176.91 179.78 1dch h THR 51 N 0.13 1.05 -0.48 2.22 2.02 -1.42 0.38 112.91 116.81 1dch h THR 51 Ca 0.22 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1dch h THR 51 Cb 0.31 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1dch h THR 51 CO -0.34 0.19 -0.03 0.03 0.37 0.00 0.00 175.52 175.74 1dch h ARG 52 N 1.05 0.81 -0.26 6.66 2.47 -1.57 -1.77 114.38 121.76 1dch h ARG 52 Ca 0.40 -0.23 -0.13 0.00 -1.26 0.00 0.00 59.98 58.75 1dch h ARG 52 Cb 0.18 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1dch h ARG 52 CO -0.18 0.83 -0.39 0.28 0.56 0.00 0.00 179.97 181.07 1dch h VAL 53 N 0.75 1.29 0.00 2.04 2.07 -0.93 -3.11 116.25 118.37 1dch h VAL 53 Ca 0.14 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1dch h VAL 53 Cb 0.50 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1dch h VAL 53 CO 0.03 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.11 1dch h ALA 54 N 1.06 1.00 0.09 1.67 0.00 0.11 0.17 119.26 123.37 1dch h ALA 54 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1dch h ALA 54 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1dch h ALA 54 CO 0.08 0.00 -1.30 -0.07 0.00 0.00 0.00 179.25 177.96 1dch h LEU 55 N 0.00 0.31 -0.27 0.00 3.38 -1.33 -3.23 115.31 114.16 1dch h LEU 55 Ca 0.00 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 57.12 1dch h LEU 55 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1dch h LEU 55 CO 0.00 1.56 0.06 1.56 0.09 0.00 0.00 178.44 181.71 1dch h GLN 56 N -0.43 0.44 -1.01 1.13 1.08 -1.40 -2.35 115.11 112.56 1dch h GLN 56 Ca -0.29 -0.11 0.25 0.00 -1.45 0.00 0.00 58.65 57.05 1dch h GLN 56 Cb 1.65 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 28.94 1dch h GLN 56 CO 0.02 0.54 0.65 0.00 -0.95 0.00 0.00 178.83 179.09 1dch h ALA 57 N 0.88 2.16 0.35 3.87 0.00 -0.82 0.64 119.26 126.34 1dch h ALA 57 Ca 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1dch h ALA 57 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dch h ALA 57 CO 0.00 -0.54 -0.17 0.93 0.00 0.00 0.00 179.25 179.47 1dch h GLU 58 N 0.44 -0.46 -0.87 0.00 4.39 -1.53 0.54 114.58 117.09 1dch h GLU 58 Ca 0.57 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.48 1dch h GLU 58 Cb 1.38 0.10 -0.17 0.00 -0.10 0.00 0.00 28.75 29.97 1dch h GLU 58 CO -0.29 -0.30 -0.21 -0.22 -1.16 0.00 0.00 179.01 176.83 1dch h LYS 59 N -0.75 0.00 -0.06 2.33 3.64 -0.74 0.92 116.57 121.92 1dch h LYS 59 Ca -0.05 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1dch h LYS 59 Cb 0.36 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1dch h LYS 59 CO 0.08 0.00 -0.62 -0.07 -2.27 0.00 0.00 179.45 176.57 1dch h LEU 60 N 0.00 0.25 -1.06 5.20 3.38 0.17 -3.47 115.31 119.78 1dch h LEU 60 Ca 0.42 -0.15 -0.23 0.00 0.09 0.00 0.00 57.88 58.02 1dch h LEU 60 Cb 0.65 -0.07 0.08 0.00 0.09 0.00 0.00 40.66 41.42 1dch h LEU 60 CO -0.89 0.81 -0.40 -0.67 0.09 0.00 0.00 178.44 177.37 1dch n ASP 61 N -3.85 -4.14 -3.41 -0.43 2.03 0.32 -5.00 116.55 102.07 1dch n ASP 61 Ca -0.02 -0.32 -0.19 0.00 0.52 0.00 0.00 54.79 54.77 1dch n ASP 61 Cb 0.63 -3.14 -0.10 0.00 -0.72 0.00 0.00 41.12 37.79 1dch n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dch s HIS 62 N -3.19 -0.26 0.32 -0.67 2.46 -0.79 -5.01 115.29 108.16 1dch s HIS 62 Ca 0.29 -0.50 -0.20 0.00 0.47 0.00 0.00 55.06 55.12 1dch s HIS 62 Cb -0.13 -0.53 -0.09 0.00 -0.13 0.00 0.00 32.58 31.70 1dch s HIS 62 CO 0.42 -0.92 0.83 -1.01 -2.47 0.00 0.00 174.74 171.59 1dch s HIS 63 N 2.03 3.49 0.47 3.88 3.76 -1.26 -4.71 115.29 122.94 1dch s HIS 63 Ca 0.12 1.47 -0.21 0.00 -0.15 0.00 0.00 55.06 56.28 1dch s HIS 63 Cb -0.15 -2.71 -0.08 0.00 1.11 0.00 0.00 32.58 30.75 1dch s HIS 63 CO -0.24 0.12 1.06 -2.14 -0.85 0.00 0.00 174.74 172.70 1dch s PRO 64 N -2.61 3.85 -0.52 8.40 0.02 -1.26 -4.94 135.00 137.93 1dch s PRO 64 Ca 0.53 1.47 -0.20 0.00 0.02 0.00 0.00 61.00 62.81 1dch s PRO 64 Cb -0.13 -2.23 0.05 0.00 0.02 0.00 0.00 34.50 32.21 1dch s PRO 64 CO 0.18 -0.41 0.71 -2.00 -0.33 0.00 0.00 177.00 175.16 1dch s GLU 65 N -2.99 3.18 0.08 5.54 2.12 -0.99 -5.04 118.70 120.61 1dch s GLU 65 Ca 0.65 -0.73 -0.07 0.00 0.36 0.00 0.00 54.97 55.18 1dch s GLU 65 Cb -0.20 -4.09 -0.01 0.00 0.26 0.00 0.00 34.13 30.09 1dch s GLU 65 CO 0.24 -1.30 0.14 1.67 -0.54 0.00 0.00 175.26 175.47 1dch s TRP 66 N 2.99 0.25 -0.07 5.30 -2.14 -1.26 -1.99 118.94 122.02 1dch s TRP 66 Ca 0.19 -0.71 0.03 0.00 2.66 0.00 0.00 56.10 58.27 1dch s TRP 66 Cb -0.17 -0.14 0.01 0.00 -3.10 0.00 0.00 33.47 30.07 1dch s TRP 66 CO 0.14 -0.52 -0.15 0.12 -2.66 0.00 0.00 176.95 173.88 1dch s PHE 67 N -3.88 1.74 -0.02 1.66 5.36 -0.21 -4.93 117.98 117.70 1dch s PHE 67 Ca 0.06 -0.67 0.05 0.00 -0.96 0.00 0.00 56.93 55.41 1dch s PHE 67 Cb 0.06 -1.23 -0.01 0.00 -0.34 0.00 0.00 43.02 41.49 1dch s PHE 67 CO -0.10 -0.32 -0.16 1.21 -1.46 0.00 0.00 175.22 174.40 1dch s ASN 68 N 0.59 1.89 0.00 6.13 3.84 -1.26 -0.46 114.94 125.66 1dch s ASN 68 Ca -0.16 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.62 1dch s ASN 68 Cb -0.16 -0.27 0.00 0.00 -0.55 0.00 0.00 41.25 40.27 1dch s ASN 68 CO 0.05 0.18 0.00 0.52 -2.79 0.00 0.00 177.10 175.06 1dch n VAL 69 N 2.78 0.00 0.01 -5.21 0.31 -1.12 -5.03 118.33 110.07 1dch n VAL 69 Ca -0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 1dch n VAL 69 Cb 0.54 -0.22 -0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1dch n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dch n TYR 70 N -0.23 0.00 -0.67 3.52 9.36 -1.26 -4.78 117.16 123.10 1dch n TYR 70 Ca 0.00 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.30 1dch n TYR 70 Cb 0.00 -0.04 0.28 0.00 -0.63 0.00 0.00 39.34 38.95 1dch n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dch n ASN 71 N -2.95 4.11 -4.35 2.98 6.94 -1.26 -4.18 115.26 116.54 1dch n ASN 71 Ca -0.01 -2.59 -0.32 0.00 -0.02 0.00 0.00 54.58 51.64 1dch n ASN 71 Cb 0.04 -0.49 -0.15 0.00 -2.36 0.00 0.00 39.78 36.82 1dch n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dch s LYS 72 N -2.07 2.84 -0.11 -3.83 3.01 -1.26 0.45 119.74 118.76 1dch s LYS 72 Ca 0.42 -0.78 0.00 0.00 -1.01 0.00 0.00 55.97 54.60 1dch s LYS 72 Cb 0.29 -2.38 -0.02 0.00 -1.01 0.00 0.00 37.83 34.72 1dch s LYS 72 CO 0.16 0.38 -0.12 0.08 0.51 0.00 0.00 175.35 176.36 1dch s VAL 73 N -0.11 3.14 -0.27 3.17 1.01 -0.53 -2.79 120.40 124.02 1dch s VAL 73 Ca -0.03 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1dch s VAL 73 Cb -0.14 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1dch s VAL 73 CO 0.04 0.54 0.02 -2.28 0.00 0.00 0.00 175.10 173.41 1dch s HIS 74 N 0.11 3.09 -0.08 5.22 2.46 0.39 -1.71 115.29 124.76 1dch s HIS 74 Ca -0.06 -1.11 0.00 0.00 0.47 0.00 0.00 55.06 54.37 1dch s HIS 74 Cb -0.15 -2.17 -0.03 0.00 -0.13 0.00 0.00 32.58 30.10 1dch s HIS 74 CO 0.04 -0.60 -0.08 0.42 -2.47 0.00 0.00 174.74 172.06 1dch s ILE 75 N 1.45 3.62 -0.08 0.89 1.01 0.15 -1.04 121.20 127.21 1dch s ILE 75 Ca 0.03 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.22 1dch s ILE 75 Cb -0.16 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1dch s ILE 75 CO -0.00 0.58 -0.23 -0.89 0.00 0.00 0.00 174.94 174.39 1dch s THR 76 N -0.53 2.21 0.54 2.92 2.01 -0.84 0.48 115.64 122.42 1dch s THR 76 Ca 0.08 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1dch s THR 76 Cb -0.12 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.58 1dch s THR 76 CO 0.02 0.56 0.26 -0.76 -0.69 0.00 0.00 174.62 174.01 1dch s LEU 77 N 0.02 2.52 0.00 4.42 1.43 0.28 -2.33 118.68 125.03 1dch s LEU 77 Ca -0.09 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1dch s LEU 77 Cb -0.15 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1dch s LEU 77 CO 0.05 -1.03 0.00 -0.24 0.23 0.00 0.00 176.35 175.36 1dch n SER 78 N -1.59 0.00 -4.78 2.29 2.88 -1.26 -3.05 113.62 108.10 1dch n SER 78 Ca -0.08 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.08 1dch n SER 78 Cb 0.65 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 1dch n SER 78 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1dch s THR 79 N -0.18 4.31 -0.07 2.46 2.01 -1.24 -4.85 115.64 118.10 1dch s THR 79 Ca 0.00 1.71 -0.11 0.00 0.31 0.00 0.00 61.69 63.60 1dch s THR 79 Cb 0.00 -4.06 -0.30 0.00 0.01 0.00 0.00 72.50 68.15 1dch s THR 79 CO 0.00 0.32 0.60 0.45 -0.69 0.00 0.00 174.62 175.30 1dch h HIS 80 N 3.71 0.66 -0.96 4.92 3.86 -1.96 -1.30 115.15 124.07 1dch h HIS 80 Ca -0.47 -0.48 0.16 0.00 -1.16 0.00 0.00 60.37 58.43 1dch h HIS 80 Cb 1.20 -0.03 -0.16 0.00 1.06 0.00 0.00 27.41 29.48 1dch h HIS 80 CO 0.63 1.69 -0.34 1.49 0.86 0.00 0.00 177.93 182.26 1dch h GLU 81 N 0.06 -0.01 0.10 2.45 4.57 -1.95 -0.98 114.58 118.81 1dch h GLU 81 Ca -0.36 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.50 1dch h GLU 81 Cb 2.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.63 1dch h GLU 81 CO 0.15 -0.01 -1.75 0.00 -1.18 0.00 0.00 179.01 176.22 1dch n ALA 83 N -2.78 -2.45 0.00 0.00 0.00 -0.38 -5.05 120.51 109.85 1dch n ALA 83 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1dch n ALA 83 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 1dch n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dch n GLY 84 N -0.46 3.11 1.70 0.00 0.00 -0.83 -4.87 105.19 103.83 1dch n GLY 84 Ca 0.00 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 1dch n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dch n LEU 85 N 0.00 0.50 -4.71 0.99 7.99 -0.71 -3.59 117.00 117.46 1dch n LEU 85 Ca 0.00 0.48 -0.31 0.00 -0.01 0.00 0.00 56.01 56.17 1dch n LEU 85 Cb 0.00 -0.42 -0.08 0.00 -0.11 0.00 0.00 43.42 42.81 1dch n LEU 85 CO 0.00 -0.39 -0.25 -0.94 -1.51 0.00 0.00 177.39 174.31 1dch s SER 86 N 1.92 3.88 0.00 -1.43 1.04 -1.26 -0.53 113.70 117.32 1dch s SER 86 Ca 0.52 -1.64 0.11 0.00 0.48 0.00 0.00 55.95 55.42 1dch s SER 86 Cb -0.71 0.47 0.67 0.00 0.10 0.00 0.00 66.02 66.55 1dch s SER 86 CO 0.36 -0.85 1.15 1.21 0.98 0.00 0.00 173.24 176.10 1dch n GLU 87 N -1.19 0.61 0.00 4.02 2.13 -1.26 -2.18 120.64 122.77 1dch n GLU 87 Ca -0.16 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.68 1dch n GLU 87 Cb 0.67 -1.29 0.02 0.00 0.27 0.00 0.00 31.44 31.11 1dch n GLU 87 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1dch n ARG 88 N -0.79 -0.03 -0.08 5.31 1.85 -1.26 -3.16 116.66 118.50 1dch n ARG 88 Ca 0.08 -0.79 -0.23 0.00 -1.00 0.00 0.00 57.85 55.92 1dch n ARG 88 Cb 0.04 -1.09 -0.12 0.00 -1.05 0.00 0.00 32.46 30.24 1dch n ARG 88 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1dch n ASP 89 N 0.25 1.97 -0.35 2.89 8.00 -0.93 -3.62 116.55 124.77 1dch n ASP 89 Ca 0.03 0.29 0.04 0.00 0.71 0.00 0.00 54.79 55.86 1dch n ASP 89 Cb 0.13 -0.86 0.19 0.00 -0.02 0.00 0.00 41.12 40.57 1dch n ASP 89 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1dch h ILE 90 N -0.56 0.99 -0.22 0.53 2.04 -1.77 0.30 117.51 118.83 1dch h ILE 90 Ca -0.45 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1dch h ILE 90 Cb 1.65 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1dch h ILE 90 CO -0.14 0.19 0.15 -1.13 0.00 0.00 0.00 178.15 177.22 1dch h ASN 91 N 1.03 0.17 0.00 1.72 -0.00 -1.68 -2.52 115.58 114.30 1dch h ASN 91 Ca 0.44 -0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 56.40 1dch h ASN 91 Cb 0.31 -0.04 -0.06 0.00 -0.00 0.00 0.00 38.32 38.53 1dch h ASN 91 CO -0.22 0.12 -2.29 -0.11 -0.00 0.00 0.00 177.43 174.94 1dch n LEU 92 N -4.50 0.82 -0.23 0.34 7.94 -0.43 -4.16 117.00 116.78 1dch n LEU 92 Ca 0.01 -0.04 0.20 0.00 -1.11 0.00 0.00 56.01 55.08 1dch n LEU 92 Cb 0.15 0.10 0.54 0.00 0.53 0.00 0.00 43.42 44.74 1dch n LEU 92 CO 0.35 0.58 1.23 0.00 -1.11 0.00 0.00 177.39 178.43 1dch h ALA 93 N 0.66 2.29 -0.12 1.96 0.00 -0.03 0.42 119.26 124.43 1dch h ALA 93 Ca -0.51 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 1dch h ALA 93 Cb 2.05 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.84 1dch h ALA 93 CO -0.00 -0.57 -0.81 0.77 0.00 0.00 0.00 179.25 178.64 1dch h SER 94 N 0.35 0.88 -0.30 0.00 0.02 -1.69 -1.99 113.55 110.81 1dch h SER 94 Ca 0.46 -0.59 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1dch h SER 94 Cb 1.23 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1dch h SER 94 CO -0.16 1.39 0.11 0.15 -1.14 0.00 0.00 176.83 177.19 1dch h PHE 95 N 0.48 0.47 0.00 3.45 3.57 -0.93 -2.70 116.94 121.28 1dch h PHE 95 Ca -0.06 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1dch h PHE 95 Cb 1.44 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 1dch h PHE 95 CO 0.08 0.47 -0.03 0.82 -2.23 0.00 0.00 178.31 177.42 1dch h ILE 96 N 0.34 0.45 0.23 1.41 2.04 -0.16 -1.49 117.51 120.33 1dch h ILE 96 Ca 0.10 -0.12 -0.30 0.00 1.00 0.00 0.00 64.86 65.54 1dch h ILE 96 Cb 0.20 1.08 0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1dch h ILE 96 CO -0.01 0.03 -1.34 -0.33 0.00 0.00 0.00 178.15 176.50 1dch h GLU 97 N 0.00 0.48 0.46 2.37 4.39 -1.08 -1.71 114.58 119.50 1dch h GLU 97 Ca -0.00 -0.82 -0.01 0.00 0.34 0.00 0.00 59.36 58.86 1dch h GLU 97 Cb 0.08 0.31 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1dch h GLU 97 CO 0.00 1.39 -0.47 1.96 -1.16 0.00 0.00 179.01 180.74 1dch h GLN 98 N 0.02 -0.89 -0.70 2.33 4.20 -1.25 -1.46 115.11 117.36 1dch h GLN 98 Ca -0.24 0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.69 1dch h GLN 98 Cb 2.05 0.20 -0.12 0.00 0.30 0.00 0.00 27.48 29.91 1dch h GLN 98 CO 0.24 -0.60 -0.02 0.28 -0.67 0.00 0.00 178.83 178.07 1dch h VAL 99 N -0.93 0.38 0.20 -0.54 2.07 -1.38 -0.79 116.25 115.27 1dch h VAL 99 Ca -0.06 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1dch h VAL 99 Cb 0.80 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1dch h VAL 99 CO -0.06 0.02 -0.17 0.00 0.02 0.00 0.00 177.57 177.38 1dch h ALA 100 N 1.66 -0.37 0.07 1.67 0.00 -0.92 -3.23 119.26 118.14 1dch h ALA 100 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dch h ALA 100 Cb 0.63 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1dch h ALA 100 CO -0.63 -0.73 -0.17 0.28 0.00 0.00 0.00 179.25 178.01 1dch h VAL 101 N -0.39 0.00 -0.08 0.00 2.07 -0.10 -3.13 116.25 114.62 1dch h VAL 101 Ca -0.01 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.16 1dch h VAL 101 Cb 0.36 0.00 0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1dch h VAL 101 CO -0.03 0.00 0.95 -1.20 0.02 0.00 0.00 177.57 177.32 1dch n SER 102 N -3.38 1.55 0.04 0.57 7.64 -0.73 -1.99 113.62 117.31 1dch n SER 102 Ca -0.03 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1dch n SER 102 Cb 0.14 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1dch n SER 102 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1dch n MET 103 N 7.96 0.00 -0.74 1.43 1.56 -1.18 -4.86 117.12 121.29 1dch n MET 103 Ca 0.45 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.88 1dch n MET 103 Cb 0.44 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.81 1dch n MET 103 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65