#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 4.08 0.00 1.57 3.52 -1.26 -2.82 118.95 124.04 1dch s ARG 7 Ca 0.00 -3.24 0.00 0.00 -0.13 0.00 0.00 55.73 52.36 1dch s ARG 7 Cb 0.00 -4.47 0.00 0.00 -1.56 0.00 0.00 34.95 28.92 1dch s ARG 7 CO 0.00 -1.24 0.00 -0.11 -0.81 0.00 0.00 175.30 173.14 1dch n LEU 8 N 2.63 0.00 -5.03 -0.88 7.94 0.20 -4.91 117.00 116.95 1dch n LEU 8 Ca 0.24 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.93 1dch n LEU 8 Cb 0.39 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.41 1dch n LEU 8 CO 0.45 0.00 0.38 -0.94 -1.11 0.00 0.00 177.39 176.17 1dch s SER 9 N 0.00 4.99 0.00 1.96 1.04 -1.26 -4.70 113.70 115.74 1dch s SER 9 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1dch s SER 9 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1dch s SER 9 CO 0.00 -1.42 0.04 0.00 0.98 0.00 0.00 173.24 172.83 1dch n ALA 10 N -2.32 0.00 -0.04 5.32 0.00 -1.26 0.17 120.51 122.38 1dch n ALA 10 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1dch n ALA 10 Cb 0.62 0.02 0.41 0.00 0.00 0.00 0.00 19.45 20.49 1dch n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dch h GLU 11 N 0.00 0.59 -0.18 0.00 4.81 -1.96 1.15 114.58 118.98 1dch h GLU 11 Ca 0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1dch h GLU 11 Cb 0.00 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 1dch h GLU 11 CO 0.00 0.39 -0.42 0.93 -0.73 0.00 0.00 179.01 179.17 1dch h GLU 12 N 0.60 -0.39 -0.16 1.92 5.08 -1.49 4.82 114.58 124.97 1dch h GLU 12 Ca 0.18 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1dch h GLU 12 Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1dch h GLU 12 CO -0.04 -0.26 0.08 0.07 -1.00 0.00 0.00 179.01 177.86 1dch h ARG 13 N -0.40 0.23 -0.07 2.33 0.11 0.31 1.06 114.38 117.95 1dch h ARG 13 Ca 0.04 -0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.10 1dch h ARG 13 Cb 0.50 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 1dch h ARG 13 CO -0.38 0.26 0.11 -0.44 0.10 0.00 0.00 179.97 179.62 1dch h ASP 14 N 0.13 0.00 0.03 0.08 3.32 0.41 0.29 116.42 120.68 1dch h ASP 14 Ca 0.05 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.73 1dch h ASP 14 Cb 0.11 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1dch h ASP 14 CO -0.01 0.00 -2.18 0.00 -1.72 0.00 0.00 179.24 175.34 1dch n GLN 15 N -3.54 0.64 0.13 3.56 10.64 1.55 -4.30 117.38 126.08 1dch n GLN 15 Ca -0.01 0.28 -0.06 0.00 -1.83 0.00 0.00 57.00 55.38 1dch n GLN 15 Cb 0.20 -1.59 -0.03 0.00 -0.86 0.00 0.00 30.24 27.95 1dch n GLN 15 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1dch h LEU 16 N -0.45 -0.32 -1.16 2.61 3.38 0.16 -3.39 115.31 116.14 1dch h LEU 16 Ca -0.54 0.01 0.25 0.00 0.09 0.00 0.00 57.88 57.69 1dch h LEU 16 Cb 1.74 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.47 1dch h LEU 16 CO -0.17 -0.06 0.63 -0.07 0.09 0.00 0.00 178.44 178.86 1dch h LEU 17 N -0.71 0.59 -0.77 1.67 3.38 -0.63 -2.64 115.31 116.20 1dch h LEU 17 Ca -0.04 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.19 1dch h LEU 17 Cb 0.29 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.91 1dch h LEU 17 CO 0.06 0.12 -0.19 1.55 0.09 0.00 0.00 178.44 180.07 1dch h PRO 18 N 0.52 -0.00 -0.72 1.13 0.13 -1.75 -0.85 132.00 130.46 1dch h PRO 18 Ca 0.62 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.84 1dch h PRO 18 Cb 1.31 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1dch h PRO 18 CO -0.39 -0.00 0.36 -0.91 -0.23 0.00 0.00 178.00 176.83 1dch h ASN 19 N -0.00 0.47 -0.01 1.44 2.35 -1.70 -2.11 115.58 116.02 1dch h ASN 19 Ca 0.37 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 56.09 1dch h ASN 19 Cb 0.56 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.92 1dch h ASN 19 CO -0.79 0.26 -0.36 -0.07 -1.65 0.00 0.00 177.43 174.82 1dch h LEU 20 N 0.61 0.33 -0.78 1.61 3.38 -1.29 -3.05 115.31 116.12 1dch h LEU 20 Ca 0.36 -0.75 0.16 0.00 0.09 0.00 0.00 57.88 57.73 1dch h LEU 20 Cb 0.38 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 1dch h LEU 20 CO -0.27 1.04 -0.17 -0.09 0.09 0.00 0.00 178.44 179.04 1dch h ARG 21 N -0.34 0.01 -0.36 1.13 2.43 -1.37 0.21 114.38 116.09 1dch h ARG 21 Ca -0.04 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1dch h ARG 21 Cb 1.09 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1dch h ARG 21 CO 0.07 0.01 0.98 0.00 -1.51 0.00 0.00 179.97 179.52 1dch h ALA 22 N 1.78 2.27 0.00 2.80 0.00 -1.26 2.70 119.26 127.54 1dch h ALA 22 Ca 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1dch h ALA 22 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1dch h ALA 22 CO -0.79 -1.17 -0.47 0.28 0.00 0.00 0.00 179.25 177.10 1dch n VAL 23 N -2.84 1.93 -0.57 0.00 0.31 0.64 -4.97 118.33 112.83 1dch n VAL 23 Ca 0.08 -2.85 0.00 0.00 -0.01 0.00 0.00 64.34 61.56 1dch n VAL 23 Cb 1.10 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 1dch n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dch n GLY 24 N -1.01 0.76 3.55 2.92 0.00 0.90 -4.98 105.19 107.34 1dch n GLY 24 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.77 1.75 0.41 1.61 0.52 -0.54 -4.83 118.94 115.10 1dch s TRP 25 Ca 0.00 0.66 -0.07 0.00 0.02 0.00 0.00 56.10 56.71 1dch s TRP 25 Cb 0.00 -4.12 0.10 0.00 -1.15 0.00 0.00 33.47 28.30 1dch s TRP 25 CO 0.00 -2.13 0.55 -1.71 0.02 0.00 0.00 176.95 173.68 1dch n ASN 26 N 12.83 -0.04 -4.48 2.95 5.15 -0.86 -3.26 115.26 127.56 1dch n ASN 26 Ca 0.25 -1.18 -0.32 0.00 -0.60 0.00 0.00 54.58 52.74 1dch n ASN 26 Cb 0.50 -0.42 -0.13 0.00 -0.53 0.00 0.00 39.78 39.20 1dch n ASN 26 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1dch s GLU 27 N -4.20 2.31 0.02 1.20 2.12 -1.26 -2.37 118.70 116.52 1dch s GLU 27 Ca 0.31 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 1dch s GLU 27 Cb -0.01 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1dch s GLU 27 CO 0.22 0.58 1.09 -1.17 -0.54 0.00 0.00 175.26 175.44 1dch s LEU 28 N -1.12 4.36 -0.53 2.70 2.96 -0.17 -4.85 118.68 122.04 1dch s LEU 28 Ca 0.14 1.82 -0.25 0.00 -0.22 0.00 0.00 54.13 55.61 1dch s LEU 28 Cb -0.11 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1dch s LEU 28 CO 0.03 -0.37 0.99 -0.70 -1.32 0.00 0.00 176.35 174.98 1dch s GLU 29 N 1.11 3.44 0.00 1.98 -6.30 -1.26 -4.04 118.70 113.63 1dch s GLU 29 Ca 0.55 -0.01 0.00 0.00 -2.50 0.00 0.00 54.97 53.01 1dch s GLU 29 Cb -0.25 -4.00 0.00 0.00 0.00 0.00 0.00 34.13 29.88 1dch s GLU 29 CO 0.28 -1.44 0.00 0.41 0.02 0.00 0.00 175.26 174.53 1dch n GLY 30 N 5.04 3.56 4.00 -1.50 0.00 -1.26 -5.11 105.19 109.93 1dch n GLY 30 Ca 0.05 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1dch n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dch s ARG 31 N 0.00 2.22 -1.15 1.61 0.52 -1.26 -5.01 118.95 115.89 1dch s ARG 31 Ca 0.00 -1.83 -0.09 0.00 -0.52 0.00 0.00 55.73 53.29 1dch s ARG 31 Cb 0.00 -2.46 0.25 0.00 0.52 0.00 0.00 34.95 33.26 1dch s ARG 31 CO 0.00 -0.88 1.32 -3.47 0.02 0.00 0.00 175.30 172.29 1dch n ASP 32 N -2.16 5.57 -3.77 0.23 2.03 -1.26 -4.71 116.55 112.49 1dch n ASP 32 Ca 0.11 -3.09 -0.10 0.00 0.52 0.00 0.00 54.79 52.23 1dch n ASP 32 Cb 0.63 -1.42 -0.07 0.00 -0.72 0.00 0.00 41.12 39.55 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 -0.72 -0.54 -0.01 -1.67 0.00 -1.26 -2.06 121.76 115.50 1dch s ALA 33 Ca 0.35 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1dch s ALA 33 Cb -0.04 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1dch s ALA 33 CO -0.02 -0.52 -0.09 0.96 0.00 0.00 0.00 175.76 176.09 1dch s ILE 34 N -3.47 3.45 0.27 0.00 -4.36 -1.19 -1.00 121.20 114.90 1dch s ILE 34 Ca 0.01 -0.77 0.02 0.00 -0.26 0.00 0.00 60.65 59.66 1dch s ILE 34 Cb 0.02 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 1dch s ILE 34 CO -0.09 0.46 0.10 0.72 0.24 0.00 0.00 174.94 176.36 1dch s PHE 35 N -0.91 1.57 -0.24 1.37 -0.71 -1.00 -1.99 117.98 116.08 1dch s PHE 35 Ca 0.15 -1.18 -0.24 0.00 -1.04 0.00 0.00 56.93 54.63 1dch s PHE 35 Cb -0.11 -0.93 0.06 0.00 -1.21 0.00 0.00 43.02 40.84 1dch s PHE 35 CO 0.05 -0.32 0.67 0.21 -1.34 0.00 0.00 175.22 174.48 1dch s LYS 36 N -4.01 0.80 -0.05 1.99 2.20 0.85 -2.03 119.74 119.48 1dch s LYS 36 Ca 0.37 0.87 0.05 0.00 -0.36 0.00 0.00 55.97 56.91 1dch s LYS 36 Cb 0.08 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.77 1dch s LYS 36 CO 0.14 -0.11 -0.22 -1.14 -0.36 0.00 0.00 175.35 173.66 1dch s GLN 37 N 0.24 2.50 -0.12 4.03 2.00 -1.26 0.40 119.66 127.45 1dch s GLN 37 Ca -0.01 -0.85 0.01 0.00 -2.00 0.00 0.00 55.36 52.51 1dch s GLN 37 Cb -0.04 -2.22 0.02 0.00 0.80 0.00 0.00 33.01 31.57 1dch s GLN 37 CO 0.02 0.46 -0.12 -0.06 -0.50 0.00 0.00 175.29 175.09 1dch s PHE 38 N -0.35 1.84 -0.20 1.67 0.40 0.63 -4.94 117.98 117.02 1dch s PHE 38 Ca 0.02 -0.94 -0.17 0.00 -0.60 0.00 0.00 56.93 55.24 1dch s PHE 38 Cb -0.12 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1dch s PHE 38 CO 0.02 -0.54 0.47 -1.58 0.70 0.00 0.00 175.22 174.29 1dch s HIS 39 N 1.39 3.38 0.23 0.36 5.65 -1.26 0.70 115.29 125.73 1dch s HIS 39 Ca 0.01 0.72 0.01 0.00 0.25 0.00 0.00 55.06 56.05 1dch s HIS 39 Cb -0.13 -2.61 0.01 0.00 -1.18 0.00 0.00 32.58 28.67 1dch s HIS 39 CO -0.07 -0.06 0.10 1.19 -0.65 0.00 0.00 174.74 175.26 1dch n PHE 40 N 4.63 -0.46 -0.04 3.88 3.72 -0.50 -4.97 117.46 123.71 1dch n PHE 40 Ca -0.06 -1.02 -0.06 0.00 -0.05 0.00 0.00 57.45 56.26 1dch n PHE 40 Cb 0.51 -0.17 -0.14 0.00 -0.94 0.00 0.00 39.48 38.74 1dch n PHE 40 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1dch n LYS 41 N -0.84 0.66 -3.97 -1.08 4.81 -1.26 -4.81 118.16 111.67 1dch n LYS 41 Ca -0.04 0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1dch n LYS 41 Cb 0.27 -1.66 -0.01 0.00 0.02 0.00 0.00 35.03 33.65 1dch n LYS 41 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1dch s ASP 42 N -5.65 0.53 0.28 3.14 1.47 -1.26 -4.93 116.67 110.24 1dch s ASP 42 Ca -0.07 -1.34 0.14 0.00 1.18 0.00 0.00 52.55 52.47 1dch s ASP 42 Cb 0.08 0.75 0.24 0.00 -0.34 0.00 0.00 42.92 43.65 1dch s ASP 42 CO 0.83 -1.47 1.52 0.15 0.68 0.00 0.00 175.17 176.88 1dch h PHE 43 N 2.06 0.00 0.00 2.11 3.57 -1.93 -2.09 116.94 120.66 1dch h PHE 43 Ca -0.30 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 1dch h PHE 43 Cb 1.24 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1dch h PHE 43 CO 1.44 0.57 -0.01 -0.97 -2.23 0.00 0.00 178.31 177.11 1dch h ASN 44 N 0.00 0.00 0.00 0.41 -0.73 -1.95 -1.57 115.58 111.74 1dch h ASN 44 Ca -0.01 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 1dch h ASN 44 Cb 1.27 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 1dch h ASN 44 CO 0.07 0.01 -0.48 -0.09 -0.37 0.00 0.00 177.43 176.57 1dch h ARG 45 N 0.00 0.00 -0.37 6.67 2.43 -1.93 -2.99 114.38 118.19 1dch h ARG 45 Ca -0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1dch h ARG 45 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1dch h ARG 45 CO 0.00 0.26 0.76 0.00 -1.51 0.00 0.00 179.97 179.48 1dch h ALA 46 N -0.83 2.11 0.00 2.80 0.00 -1.01 0.27 119.26 122.61 1dch h ALA 46 Ca -0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1dch h ALA 46 Cb 0.57 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1dch h ALA 46 CO -0.04 -0.95 -1.99 0.34 0.00 0.00 0.00 179.25 176.61 1dch n PHE 47 N -3.08 0.00 0.29 0.00 -0.00 -0.62 -3.74 117.46 110.31 1dch n PHE 47 Ca 0.07 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.70 1dch n PHE 47 Cb 0.89 -0.71 0.85 0.00 -0.00 0.00 0.00 39.48 40.52 1dch n PHE 47 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1dch h GLY 48 N 2.62 0.00 0.12 7.13 0.00 -0.37 -1.84 103.07 110.74 1dch h GLY 48 Ca -0.39 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.73 1dch h GLY 48 CO 0.01 0.00 -1.13 -2.75 0.00 0.00 0.00 176.54 172.67 1dch h PHE 49 N 0.00 0.10 -0.59 5.60 3.57 -1.39 -3.30 116.94 120.93 1dch h PHE 49 Ca 0.00 -0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.54 1dch h PHE 49 Cb 0.16 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 1dch h PHE 49 CO 0.00 1.44 0.10 0.52 -2.23 0.00 0.00 178.31 178.15 1dch h MET 50 N -0.83 0.22 -0.54 1.11 2.86 -1.56 -1.98 114.93 114.21 1dch h MET 50 Ca -0.29 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 1dch h MET 50 Cb 1.37 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1dch h MET 50 CO -0.12 0.15 0.25 1.15 1.06 0.00 0.00 176.91 179.40 1dch h THR 51 N 0.23 1.18 0.00 2.22 2.02 -1.52 0.64 112.91 117.68 1dch h THR 51 Ca 0.31 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1dch h THR 51 Cb 0.46 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1dch h THR 51 CO -0.41 0.22 -0.40 0.03 0.37 0.00 0.00 175.52 175.33 1dch h ARG 52 N 0.77 0.00 0.17 6.66 3.08 -1.48 -2.07 114.38 121.51 1dch h ARG 52 Ca 0.19 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.92 1dch h ARG 52 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1dch h ARG 52 CO -0.02 0.14 -1.61 0.28 -1.07 0.00 0.00 179.97 177.69 1dch h VAL 53 N 0.00 1.00 0.38 2.04 2.07 -1.20 -3.29 116.25 117.26 1dch h VAL 53 Ca -0.01 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 1dch h VAL 53 Cb 1.14 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1dch h VAL 53 CO 0.02 0.81 -0.43 0.00 0.02 0.00 0.00 177.57 177.98 1dch h ALA 54 N 0.07 -1.07 -1.53 1.67 0.00 -0.89 1.20 119.26 118.71 1dch h ALA 54 Ca -0.32 -0.15 0.48 0.00 0.00 0.00 0.00 54.91 54.91 1dch h ALA 54 Cb 1.99 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 20.37 1dch h ALA 54 CO 0.15 -1.11 1.06 -0.11 0.00 0.00 0.00 179.25 179.24 1dch n LEU 55 N -5.02 0.09 -0.04 0.00 7.94 -0.78 0.06 117.00 119.24 1dch n LEU 55 Ca -0.10 1.06 -0.18 0.00 -1.11 0.00 0.00 56.01 55.68 1dch n LEU 55 Cb 0.39 -0.53 -0.14 0.00 0.53 0.00 0.00 43.42 43.68 1dch n LEU 55 CO 0.21 -1.11 -0.96 1.67 -1.11 0.00 0.00 177.39 176.09 1dch n GLN 56 N -4.09 0.71 0.18 1.96 -0.06 0.60 -2.34 117.38 114.33 1dch n GLN 56 Ca 0.38 0.21 0.15 0.00 -2.00 0.00 0.00 57.00 55.75 1dch n GLN 56 Cb 1.63 -1.65 0.75 0.00 -4.06 0.00 0.00 30.24 26.91 1dch n GLN 56 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dch h ALA 57 N 0.23 2.00 0.00 1.69 0.00 0.53 -1.64 119.26 122.08 1dch h ALA 57 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1dch h ALA 57 Cb 2.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1dch h ALA 57 CO 0.03 -0.28 -1.15 -1.91 0.00 0.00 0.00 179.25 175.94 1dch n GLU 58 N -4.14 0.61 0.18 0.00 4.07 -0.37 -0.84 120.64 120.14 1dch n GLU 58 Ca 0.02 0.07 0.02 0.00 -0.06 0.00 0.00 57.16 57.21 1dch n GLU 58 Cb 0.31 -1.78 0.32 0.00 -0.06 0.00 0.00 31.44 30.24 1dch n GLU 58 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1dch h LYS 59 N 0.00 0.00 -0.03 5.31 3.64 -0.91 -3.29 116.57 121.29 1dch h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dch h LYS 59 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1dch h LYS 59 CO 0.00 0.43 0.00 1.47 -2.27 0.00 0.00 179.45 179.08 1dch n LEU 60 N -3.99 1.54 -1.33 5.20 -0.00 -0.98 -5.02 117.00 112.42 1dch n LEU 60 Ca -0.02 -1.29 -0.13 0.00 -0.00 0.00 0.00 56.01 54.57 1dch n LEU 60 Cb 0.46 -0.02 -0.02 0.00 -0.00 0.00 0.00 43.42 43.84 1dch n LEU 60 CO 0.39 0.36 -0.15 -0.67 -0.00 0.00 0.00 177.39 177.32 1dch n ASP 61 N 0.05 -4.27 -3.86 1.45 2.03 -0.02 -4.99 116.55 106.94 1dch n ASP 61 Ca 0.02 0.10 -0.30 0.00 0.52 0.00 0.00 54.79 55.14 1dch n ASP 61 Cb 0.14 -3.27 -0.15 0.00 -0.72 0.00 0.00 41.12 37.11 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 -2.60 2.26 0.19 -0.67 2.46 -0.19 -4.99 115.29 111.76 1dch s HIS 62 Ca 0.00 -1.87 0.01 0.00 0.47 0.00 0.00 55.06 53.66 1dch s HIS 62 Cb 0.00 -1.80 -0.04 0.00 -0.13 0.00 0.00 32.58 30.61 1dch s HIS 62 CO 0.00 -0.82 0.36 -1.01 -2.47 0.00 0.00 174.74 170.80 1dch s HIS 63 N 1.43 3.48 0.80 3.88 3.76 -1.26 -4.30 115.29 123.08 1dch s HIS 63 Ca 0.03 0.25 -0.05 0.00 -0.15 0.00 0.00 55.06 55.14 1dch s HIS 63 Cb -0.18 -1.78 0.16 0.00 1.11 0.00 0.00 32.58 31.89 1dch s HIS 63 CO -0.13 0.42 1.10 -1.25 -0.85 0.00 0.00 174.74 174.03 1dch s PRO 64 N -3.36 1.31 -0.68 8.40 0.04 -1.26 -4.88 135.00 134.56 1dch s PRO 64 Ca 0.37 -0.96 0.02 0.00 0.04 0.00 0.00 61.00 60.47 1dch s PRO 64 Cb -0.11 -2.19 0.17 0.00 0.04 0.00 0.00 34.50 32.41 1dch s PRO 64 CO 0.29 -1.78 0.48 -1.21 0.04 0.00 0.00 177.00 174.83 1dch s GLU 65 N -5.38 2.53 0.26 4.56 2.02 -1.06 -5.02 118.70 116.62 1dch s GLU 65 Ca 0.69 -3.00 0.07 0.00 0.02 0.00 0.00 54.97 52.76 1dch s GLU 65 Cb -0.04 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 1dch s GLU 65 CO 0.47 -1.22 0.19 1.67 0.02 0.00 0.00 175.26 176.39 1dch s TRP 66 N -0.88 3.06 0.03 1.61 -2.14 -1.26 -3.35 118.94 116.00 1dch s TRP 66 Ca 0.22 -0.14 0.06 0.00 2.66 0.00 0.00 56.10 58.91 1dch s TRP 66 Cb -0.14 -1.41 -0.02 0.00 -3.10 0.00 0.00 33.47 28.80 1dch s TRP 66 CO -0.09 0.50 -0.18 0.12 -2.66 0.00 0.00 176.95 174.64 1dch s PHE 67 N -2.17 1.62 -0.03 1.66 5.36 -0.69 -4.93 117.98 118.80 1dch s PHE 67 Ca 0.33 -0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 55.94 1dch s PHE 67 Cb -0.08 -0.98 0.02 0.00 -0.34 0.00 0.00 43.02 41.64 1dch s PHE 67 CO 0.25 0.05 0.07 1.21 -1.46 0.00 0.00 175.22 175.33 1dch s ASN 68 N -0.96 -0.03 0.00 6.13 3.84 -1.26 -1.87 114.94 120.79 1dch s ASN 68 Ca 0.06 0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.26 1dch s ASN 68 Cb -0.08 0.07 0.00 0.00 -0.55 0.00 0.00 41.25 40.69 1dch s ASN 68 CO 0.01 -0.08 0.00 0.52 -2.79 0.00 0.00 177.10 174.76 1dch n VAL 69 N 3.68 0.00 0.00 -5.21 0.31 -1.23 -5.03 118.33 110.85 1dch n VAL 69 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1dch n VAL 69 Cb 0.55 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.73 0.00 0.65 3.52 9.36 -1.26 -4.85 117.16 123.84 1dch n TYR 70 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 1dch n TYR 70 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 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 -1.59 0.63 -4.84 2.98 6.94 -1.26 -4.24 115.26 113.87 1dch n ASN 71 Ca 0.00 -0.37 -0.32 0.00 -0.02 0.00 0.00 54.58 53.87 1dch n ASN 71 Cb 0.00 0.90 -0.04 0.00 -2.36 0.00 0.00 39.78 38.29 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 -3.17 3.95 -0.04 -3.83 3.01 -1.26 -1.41 119.74 116.99 1dch s LYS 72 Ca 0.04 0.91 -0.01 0.00 -1.01 0.00 0.00 55.97 55.89 1dch s LYS 72 Cb 0.15 -2.17 0.03 0.00 -1.01 0.00 0.00 37.83 34.83 1dch s LYS 72 CO 0.82 -0.22 0.09 0.08 0.51 0.00 0.00 175.35 176.63 1dch s VAL 73 N -2.56 -0.05 -0.20 3.17 1.01 0.22 -3.57 120.40 118.42 1dch s VAL 73 Ca 0.58 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1dch s VAL 73 Cb -0.10 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.16 1dch s VAL 73 CO 0.30 0.08 -0.12 -2.28 0.00 0.00 0.00 175.10 173.09 1dch s HIS 74 N 1.13 2.56 -0.18 5.22 5.04 -0.78 0.23 115.29 128.51 1dch s HIS 74 Ca -0.09 -1.68 -0.04 0.00 -1.54 0.00 0.00 55.06 51.71 1dch s HIS 74 Cb -0.12 -1.71 -0.02 0.00 0.04 0.00 0.00 32.58 30.77 1dch s HIS 74 CO -0.05 -0.77 -0.03 0.42 -2.34 0.00 0.00 174.74 171.98 1dch s ILE 75 N 1.35 3.75 -0.13 0.89 1.01 1.30 -1.70 121.20 127.66 1dch s ILE 75 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1dch s ILE 75 Cb -0.16 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1dch s ILE 75 CO -0.08 0.46 -0.10 -0.89 0.00 0.00 0.00 174.94 174.33 1dch s THR 76 N 0.81 3.35 -0.06 2.92 2.01 -1.21 0.29 115.64 123.75 1dch s THR 76 Ca -0.01 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1dch s THR 76 Cb -0.14 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 69.96 1dch s THR 76 CO 0.02 0.52 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.70 1dch s LEU 77 N 0.28 0.81 -0.16 4.42 1.43 -0.84 -2.55 118.68 122.06 1dch s LEU 77 Ca -0.07 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.65 1dch s LEU 77 Cb -0.15 -0.44 0.07 0.00 0.03 0.00 0.00 46.19 45.71 1dch s LEU 77 CO 0.05 -0.15 0.71 -0.94 0.23 0.00 0.00 176.35 176.24 1dch s SER 78 N 1.66 -0.70 -0.18 2.29 1.04 -1.26 -3.20 113.70 113.36 1dch s SER 78 Ca 0.00 1.08 -0.23 0.00 0.48 0.00 0.00 55.95 57.28 1dch s SER 78 Cb -0.13 1.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.98 1dch s SER 78 CO -0.04 -0.42 0.75 0.42 0.98 0.00 0.00 173.24 174.93 1dch s THR 79 N -0.39 4.94 -0.76 2.02 -4.23 0.05 -4.76 115.64 112.51 1dch s THR 79 Ca -0.05 1.45 0.25 0.00 -1.18 0.00 0.00 61.69 62.16 1dch s THR 79 Cb -0.03 -4.06 0.13 0.00 1.34 0.00 0.00 72.50 69.89 1dch s THR 79 CO 0.05 0.07 1.53 1.57 -0.54 0.00 0.00 174.62 177.30 1dch n HIS 80 N 5.10 0.51 -0.08 3.99 -0.00 -1.26 0.47 115.22 123.95 1dch n HIS 80 Ca 0.02 0.15 -0.12 0.00 0.46 0.00 0.00 57.72 58.23 1dch n HIS 80 Cb 0.49 -0.66 -0.05 0.00 -0.12 0.00 0.00 29.99 29.66 1dch n HIS 80 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1dch h GLU 81 N 0.00 0.48 0.00 1.57 4.81 -1.94 0.77 114.58 120.27 1dch h GLU 81 Ca 0.00 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1dch h GLU 81 Cb 0.68 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1dch h GLU 81 CO 0.00 0.72 -0.24 0.00 -0.73 0.00 0.00 179.01 178.76 1dch n ALA 83 N -2.30 -2.57 0.00 0.00 0.00 0.18 -4.95 120.51 110.86 1dch n ALA 83 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1dch n ALA 83 Cb 0.37 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 -1.63 -1.22 3.57 0.00 0.00 0.75 -4.92 105.19 101.75 1dch n GLY 84 Ca -0.10 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1dch n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dch s LEU 85 N 0.00 3.40 0.00 0.99 1.43 -0.87 -0.77 118.68 122.86 1dch s LEU 85 Ca 0.00 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1dch s LEU 85 Cb 0.00 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1dch s LEU 85 CO 0.00 -2.05 0.00 -1.54 0.23 0.00 0.00 176.35 172.99 1dch n SER 86 N 11.54 0.00 0.03 2.29 3.41 -1.13 0.62 113.62 130.38 1dch n SER 86 Ca 0.21 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.80 1dch n SER 86 Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1dch n SER 86 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dch h GLU 87 N 0.00 -0.13 0.00 4.33 5.08 -1.93 -3.39 114.58 118.54 1dch h GLU 87 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1dch h GLU 87 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dch h GLU 87 CO 0.00 -0.09 0.00 0.54 -1.00 0.00 0.00 179.01 178.46 1dch n ARG 88 N -3.69 0.00 0.04 2.33 1.74 -1.26 0.27 116.66 116.09 1dch n ARG 88 Ca -0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 1dch n ARG 88 Cb 0.05 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.49 1dch n ARG 88 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1dch h ASP 89 N 0.00 -0.08 -0.50 0.55 5.19 -1.90 -2.02 116.42 117.66 1dch h ASP 89 Ca 0.00 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1dch h ASP 89 Cb 0.00 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.47 1dch h ASP 89 CO 0.00 -0.05 -0.30 -0.38 -3.12 0.00 0.00 179.24 175.39 1dch n ILE 90 N -2.27 -0.34 0.29 0.35 -0.00 0.78 0.27 119.36 118.44 1dch n ILE 90 Ca -0.01 1.66 0.17 0.00 -0.00 0.00 0.00 62.75 64.57 1dch n ILE 90 Cb 0.04 -2.09 0.82 0.00 -0.00 0.00 0.00 39.64 38.40 1dch n ILE 90 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1dch h ASN 91 N 0.00 0.00 0.81 4.38 7.08 -1.63 -1.10 115.58 125.12 1dch h ASN 91 Ca 0.08 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.07 1dch h ASN 91 Cb 0.21 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.43 1dch h ASN 91 CO -0.47 0.04 -1.04 0.25 -2.08 0.00 0.00 177.43 174.12 1dch h LEU 92 N 0.00 0.17 -0.59 6.14 5.85 0.79 -2.86 115.31 124.82 1dch h LEU 92 Ca -0.00 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1dch h LEU 92 Cb 0.37 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1dch h LEU 92 CO 0.00 1.10 0.32 0.00 -0.34 0.00 0.00 178.44 179.52 1dch h ALA 93 N 0.88 0.77 0.00 1.25 0.00 0.52 -1.41 119.26 121.26 1dch h ALA 93 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1dch h ALA 93 Cb 1.77 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1dch h ALA 93 CO 0.15 -0.00 -0.40 0.66 0.00 0.00 0.00 179.25 179.66 1dch h SER 94 N 0.61 0.00 -0.25 0.00 4.64 -1.50 -1.83 113.55 115.23 1dch h SER 94 Ca 0.26 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 1dch h SER 94 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1dch h SER 94 CO -0.16 0.10 -0.15 0.15 -0.87 0.00 0.00 176.83 175.91 1dch h PHE 95 N 0.00 0.74 0.00 4.77 3.57 -1.13 -2.03 116.94 122.87 1dch h PHE 95 Ca -0.01 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1dch h PHE 95 Cb 1.09 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1dch h PHE 95 CO 0.00 0.79 -0.09 0.82 -2.23 0.00 0.00 178.31 177.59 1dch h ILE 96 N 0.61 0.33 0.00 1.41 2.04 -1.10 -1.49 117.51 119.30 1dch h ILE 96 Ca 0.10 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1dch h ILE 96 Cb 0.60 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1dch h ILE 96 CO 0.04 0.09 -0.03 -0.33 0.00 0.00 0.00 178.15 177.92 1dch h GLU 97 N 0.00 0.00 -0.56 2.37 4.39 -0.86 -3.16 114.58 116.75 1dch h GLU 97 Ca -0.00 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.86 1dch h GLU 97 Cb 0.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1dch h GLU 97 CO 0.01 0.86 0.42 0.37 -1.16 0.00 0.00 179.01 179.51 1dch h GLN 98 N -1.00 0.00 0.01 2.33 4.15 -1.04 -2.51 115.11 117.06 1dch h GLN 98 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1dch h GLN 98 Cb 0.87 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1dch h GLN 98 CO -0.00 0.00 -0.01 0.28 -1.93 0.00 0.00 178.83 177.17 1dch h VAL 99 N 0.00 0.00 -1.13 2.39 2.07 -1.31 -3.22 116.25 115.04 1dch h VAL 99 Ca 0.27 -0.01 0.33 0.00 0.82 0.00 0.00 66.70 68.11 1dch h VAL 99 Cb 1.10 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1dch h VAL 99 CO -0.00 0.00 1.10 0.00 0.02 0.00 0.00 177.57 178.69 1dch n ALA 100 N -2.01 1.09 -0.05 1.67 0.00 -0.98 0.64 120.51 120.87 1dch n ALA 100 Ca -0.00 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1dch n ALA 100 Cb 0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1dch n ALA 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dch h VAL 101 N 0.00 1.29 -0.96 0.00 2.07 -1.48 0.47 116.25 117.64 1dch h VAL 101 Ca 0.54 -1.00 0.30 0.00 0.82 0.00 0.00 66.70 67.37 1dch h VAL 101 Cb 2.73 1.64 -0.17 0.00 -1.52 0.00 0.00 31.29 33.97 1dch h VAL 101 CO -0.01 0.29 0.25 0.28 0.02 0.00 0.00 177.57 178.41 1dch h SER 102 N -0.01 -0.07 0.00 0.57 0.02 0.12 -3.11 113.55 111.07 1dch h SER 102 Ca 0.04 0.25 -0.29 0.00 -0.84 0.00 0.00 61.79 60.95 1dch h SER 102 Cb 0.47 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 63.30 1dch h SER 102 CO 0.02 -0.31 -2.09 0.23 -1.14 0.00 0.00 176.83 173.54 1dch n MET 103 N -5.33 1.31 0.00 3.45 2.81 -1.02 -5.17 117.12 113.17 1dch n MET 103 Ca 0.27 0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.30 1dch n MET 103 Cb 0.89 -1.40 0.36 0.00 -0.71 0.00 0.00 33.22 32.36 1dch n MET 103 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89