#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrd s GLN 2 N 0.00 3.33 0.31 3.17 0.74 -1.26 -0.88 119.66 125.07 1wrd s GLN 2 Ca 0.00 -0.66 0.10 0.00 0.05 0.00 0.00 55.36 54.85 1wrd s GLN 2 Cb 0.00 -2.89 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1wrd s GLN 2 CO 0.00 -0.13 -0.11 0.96 -0.55 0.00 0.00 175.29 175.46 1wrd s ILE 3 N 1.26 2.52 -0.03 -2.34 -4.36 -0.37 -1.47 121.20 116.41 1wrd s ILE 3 Ca 0.03 -2.22 0.06 0.00 -0.26 0.00 0.00 60.65 58.26 1wrd s ILE 3 Cb -0.14 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 1wrd s ILE 3 CO -0.03 -0.30 -0.21 -0.36 0.24 0.00 0.00 174.94 174.28 1wrd s PHE 4 N -2.53 2.49 -0.25 1.37 0.40 -0.41 -1.01 117.98 118.04 1wrd s PHE 4 Ca 0.32 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1wrd s PHE 4 Cb -0.02 -1.56 0.06 0.00 0.51 0.00 0.00 43.02 42.01 1wrd s PHE 4 CO 0.17 0.04 -0.08 0.08 0.70 0.00 0.00 175.22 176.13 1wrd s VAL 5 N -0.63 1.86 -0.17 -0.44 1.01 0.16 -0.22 120.40 121.97 1wrd s VAL 5 Ca 0.10 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 1wrd s VAL 5 Cb -0.10 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1wrd s VAL 5 CO -0.00 -0.08 0.11 -0.54 0.00 0.00 0.00 175.10 174.59 1wrd s LYS 6 N 1.24 3.87 0.73 2.72 1.02 0.33 0.16 119.74 129.82 1wrd s LYS 6 Ca -0.07 -0.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.66 1wrd s LYS 6 Cb -0.19 -3.28 0.12 0.00 -0.52 0.00 0.00 37.83 33.96 1wrd s LYS 6 CO -0.06 0.45 1.01 0.95 -0.92 0.00 0.00 175.35 176.78 1wrd s THR 7 N -0.09 2.17 -0.33 2.17 -4.23 -0.14 -0.82 115.64 114.39 1wrd s THR 7 Ca 0.09 -0.51 0.11 0.00 -1.18 0.00 0.00 61.69 60.20 1wrd s THR 7 Cb -0.12 -2.66 0.73 0.00 1.34 0.00 0.00 72.50 71.80 1wrd s THR 7 CO 0.00 0.00 1.66 0.18 -0.54 0.00 0.00 174.62 175.92 1wrd n LEU 8 N -2.90 5.45 -0.55 4.79 4.77 -1.25 -4.09 117.00 123.21 1wrd n LEU 8 Ca 0.14 -2.79 0.06 0.00 -0.03 0.00 0.00 56.01 53.40 1wrd n LEU 8 Cb 0.60 -0.69 0.14 0.00 -2.33 0.00 0.00 43.42 41.15 1wrd n LEU 8 CO 0.44 0.64 0.37 0.35 -1.33 0.00 0.00 177.39 177.86 1wrd n THR 9 N 0.37 1.58 -1.04 -5.08 -2.24 -1.26 -4.98 114.28 101.63 1wrd n THR 9 Ca 0.29 -2.31 -0.01 0.00 -2.27 0.00 0.00 64.05 59.75 1wrd n THR 9 Cb 1.17 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1wrd n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wrd n GLY 10 N -0.88 0.51 3.59 3.38 0.00 -1.26 -5.03 105.19 105.50 1wrd n GLY 10 Ca 0.14 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1wrd n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wrd s LYS 11 N -1.23 3.25 -0.21 1.61 2.20 -1.26 -4.99 119.74 119.10 1wrd s LYS 11 Ca 0.00 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1wrd s LYS 11 Cb 0.00 -2.82 0.01 0.00 -1.51 0.00 0.00 37.83 33.50 1wrd s LYS 11 CO 0.00 0.50 -0.10 0.99 -0.36 0.00 0.00 175.35 176.38 1wrd s THR 12 N -0.33 2.88 -0.26 3.43 2.01 -1.26 -0.96 115.64 121.14 1wrd s THR 12 Ca 0.06 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1wrd s THR 12 Cb -0.12 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1wrd s THR 12 CO 0.02 0.43 0.10 -0.63 -0.69 0.00 0.00 174.62 173.86 1wrd s ILE 13 N 1.40 4.55 -0.27 1.82 1.01 0.12 -4.93 121.20 124.90 1wrd s ILE 13 Ca 0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 1wrd s ILE 13 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1wrd s ILE 13 CO -0.07 0.29 0.32 -0.89 0.00 0.00 0.00 174.94 174.60 1wrd s THR 14 N 1.65 5.21 0.05 2.92 2.01 -1.26 0.39 115.64 126.60 1wrd s THR 14 Ca 0.06 0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.60 1wrd s THR 14 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1wrd s THR 14 CO 0.05 0.18 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.22 1wrd s LEU 15 N 1.99 2.59 -0.43 4.42 1.43 -0.18 -4.99 118.68 123.51 1wrd s LEU 15 Ca 0.13 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1wrd s LEU 15 Cb -0.16 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.61 1wrd s LEU 15 CO 0.10 0.25 0.30 -0.70 0.23 0.00 0.00 176.35 176.53 1wrd s GLU 16 N -1.46 2.83 0.37 1.70 2.56 -1.26 -1.23 118.70 122.20 1wrd s GLU 16 Ca 0.15 -1.28 0.03 0.00 0.00 0.00 0.00 54.97 53.87 1wrd s GLU 16 Cb -0.10 -3.92 -0.01 0.00 2.00 0.00 0.00 34.13 32.10 1wrd s GLU 16 CO 0.05 -0.89 0.12 1.33 -0.56 0.00 0.00 175.26 175.30 1wrd n VAL 17 N 5.07 0.00 -4.27 3.70 0.24 -0.06 -4.94 118.33 118.07 1wrd n VAL 17 Ca -0.11 -2.11 -0.21 0.00 -2.04 0.00 0.00 64.34 59.87 1wrd n VAL 17 Cb 0.44 0.72 -0.12 0.00 -1.47 0.00 0.00 33.84 33.41 1wrd n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wrd s GLU 18 N -3.40 0.99 0.52 7.34 0.41 -1.26 0.22 118.70 123.51 1wrd s GLU 18 Ca 0.16 -1.01 0.31 0.00 -0.41 0.00 0.00 54.97 54.02 1wrd s GLU 18 Cb 0.01 -1.10 1.44 0.00 -1.78 0.00 0.00 34.13 32.70 1wrd s GLU 18 CO 0.12 0.26 1.86 -1.35 -0.49 0.00 0.00 175.26 175.66 1wrd h PRO 19 N 4.33 0.05 0.00 0.39 0.11 -1.97 0.17 132.00 135.09 1wrd h PRO 19 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wrd h PRO 19 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wrd h PRO 19 CO 0.41 0.04 -0.11 -1.13 -0.21 0.00 0.00 178.00 176.99 1wrd n SER 20 N -4.29 0.80 -4.73 -2.05 3.41 -1.26 -1.38 113.62 104.13 1wrd n SER 20 Ca 0.20 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.89 1wrd n SER 20 Cb 0.99 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1wrd n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wrd n ASP 21 N -2.24 3.65 -4.92 4.04 10.43 0.60 -4.74 116.55 123.38 1wrd n ASP 21 Ca 0.05 1.13 -0.27 0.00 2.57 0.00 0.00 54.79 58.28 1wrd n ASP 21 Cb 0.43 -1.56 0.03 0.00 1.84 0.00 0.00 41.12 41.87 1wrd n ASP 21 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1wrd s THR 22 N 0.14 3.62 0.40 -3.53 -4.23 -1.26 -1.47 115.64 109.31 1wrd s THR 22 Ca 0.66 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1wrd s THR 22 Cb -0.53 -3.44 0.22 0.00 1.34 0.00 0.00 72.50 70.09 1wrd s THR 22 CO 0.47 -0.46 2.00 0.40 -0.54 0.00 0.00 174.62 176.49 1wrd h ILE 23 N -0.20 1.13 -0.39 2.99 1.08 -1.18 -1.15 117.51 119.80 1wrd h ILE 23 Ca -0.45 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1wrd h ILE 23 Cb 1.26 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1wrd h ILE 23 CO 0.61 0.15 0.19 -0.08 -0.69 0.00 0.00 178.15 178.33 1wrd h GLU 24 N 0.43 0.56 -0.83 2.37 4.81 -1.60 -0.99 114.58 119.34 1wrd h GLU 24 Ca 0.11 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1wrd h GLU 24 Cb 0.10 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1wrd h GLU 24 CO -0.01 0.48 0.49 -0.91 -0.73 0.00 0.00 179.01 178.33 1wrd h ASN 25 N 0.49 1.01 -0.45 1.04 -0.26 -1.60 -1.40 115.58 114.40 1wrd h ASN 25 Ca 0.13 -0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.76 1wrd h ASN 25 Cb 0.11 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 1wrd h ASN 25 CO -0.02 0.79 0.12 0.58 -1.06 0.00 0.00 177.43 177.84 1wrd h VAL 26 N 1.14 1.23 -0.77 2.81 2.07 -0.86 -0.30 116.25 121.58 1wrd h VAL 26 Ca 0.30 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1wrd h VAL 26 Cb -0.03 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1wrd h VAL 26 CO -0.05 0.28 0.32 0.11 0.02 0.00 0.00 177.57 178.24 1wrd h LYS 27 N 0.59 1.14 -0.72 1.57 1.57 -0.90 -0.68 116.57 119.14 1wrd h LYS 27 Ca 0.14 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1wrd h LYS 27 Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1wrd h LYS 27 CO -0.00 0.91 0.32 0.00 -0.57 0.00 0.00 179.45 180.11 1wrd h ALA 28 N 1.23 0.93 -0.83 3.86 0.00 -0.92 -1.04 119.26 122.49 1wrd h ALA 28 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1wrd h ALA 28 Cb 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1wrd h ALA 28 CO -0.02 0.52 0.41 0.87 0.00 0.00 0.00 179.25 181.02 1wrd h LYS 29 N 1.01 1.19 -0.69 0.00 1.57 -0.40 -1.09 116.57 118.16 1wrd h LYS 29 Ca 0.24 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1wrd h LYS 29 Cb 0.16 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1wrd h LYS 29 CO -0.03 0.91 0.25 0.82 -0.57 0.00 0.00 179.45 180.83 1wrd h ILE 30 N 1.18 1.25 -0.54 1.86 2.04 -0.49 -2.47 117.51 120.34 1wrd h ILE 30 Ca 0.29 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 1wrd h ILE 30 Cb 0.10 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1wrd h ILE 30 CO -0.04 0.33 -0.01 -0.61 0.00 0.00 0.00 178.15 177.82 1wrd h GLN 31 N 1.00 0.94 -0.91 2.37 4.15 -0.76 0.27 115.11 122.16 1wrd h GLN 31 Ca 0.23 -0.28 0.05 0.00 0.77 0.00 0.00 58.65 59.41 1wrd h GLN 31 Cb 0.26 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 1wrd h GLN 31 CO -0.01 0.93 0.59 -0.44 -1.93 0.00 0.00 178.83 177.97 1wrd h ASP 32 N 0.86 0.96 0.00 -0.69 5.19 -0.77 0.13 116.42 122.10 1wrd h ASP 32 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1wrd h ASP 32 Cb 0.52 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1wrd h ASP 32 CO 0.03 0.64 -0.77 2.29 -3.12 0.00 0.00 179.24 178.31 1wrd n LYS 33 N -4.53 2.02 -0.00 3.56 2.85 -1.02 -4.65 118.16 116.38 1wrd n LYS 33 Ca 0.12 -0.01 0.01 0.00 -1.05 0.00 0.00 58.31 57.39 1wrd n LYS 33 Cb 0.13 -1.21 -0.02 0.00 -0.65 0.00 0.00 35.03 33.28 1wrd n LYS 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wrd n GLU 34 N -1.40 0.11 -0.93 -1.58 -0.58 0.93 -5.03 120.64 112.15 1wrd n GLU 34 Ca 0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1wrd n GLU 34 Cb 0.24 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1wrd n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wrd n GLY 35 N 2.35 0.49 3.62 0.62 0.00 0.44 -4.98 105.19 107.72 1wrd n GLY 35 Ca -0.01 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1wrd n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wrd s ILE 36 N -2.00 5.07 0.29 -0.61 1.01 -1.26 -4.98 121.20 118.73 1wrd s ILE 36 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 1wrd s ILE 36 Cb 0.00 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 1wrd s ILE 36 CO 0.00 0.08 1.55 -2.65 0.00 0.00 0.00 174.94 173.92 1wrd n PRO 37 N 5.54 2.58 -0.35 2.79 -0.02 -1.26 -3.86 135.00 140.42 1wrd n PRO 37 Ca -0.04 0.92 0.09 0.00 -2.02 0.00 0.00 63.50 62.44 1wrd n PRO 37 Cb 0.50 -2.67 0.26 0.00 -0.02 0.00 0.00 33.50 31.57 1wrd n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wrd h PRO 38 N 4.46 0.83 0.00 0.52 0.11 -1.96 -1.01 132.00 134.95 1wrd h PRO 38 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wrd h PRO 38 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wrd h PRO 38 CO 0.77 0.55 0.00 -0.44 -0.21 0.00 0.00 178.00 178.67 1wrd h ASP 39 N 0.86 0.00 -0.40 -2.05 3.45 -1.98 -1.29 116.42 115.01 1wrd h ASP 39 Ca 0.52 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.98 1wrd h ASP 39 Cb 0.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1wrd h ASP 39 CO -0.32 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.35 1wrd n GLN 40 N -2.67 2.41 -3.61 3.56 6.02 -0.39 -4.92 117.38 117.78 1wrd n GLN 40 Ca -0.02 -2.13 -0.37 0.00 -0.01 0.00 0.00 57.00 54.47 1wrd n GLN 40 Cb 0.08 -1.40 -0.09 0.00 1.02 0.00 0.00 30.24 29.85 1wrd n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1wrd s GLN 41 N -1.13 4.11 -0.36 -1.09 -0.21 -0.49 -1.03 119.66 119.47 1wrd s GLN 41 Ca 0.32 -0.15 -0.02 0.00 0.02 0.00 0.00 55.36 55.53 1wrd s GLN 41 Cb 0.18 -3.52 0.08 0.00 1.00 0.00 0.00 33.01 30.75 1wrd s GLN 41 CO 0.24 0.08 0.10 1.03 -2.12 0.00 0.00 175.29 174.62 1wrd s ARG 42 N 0.99 2.14 -0.04 2.91 0.52 -0.14 -4.95 118.95 120.38 1wrd s ARG 42 Ca 0.10 -1.58 -0.18 0.00 -0.52 0.00 0.00 55.73 53.55 1wrd s ARG 42 Cb -0.13 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 31.91 1wrd s ARG 42 CO 0.04 -0.86 0.49 -0.51 0.02 0.00 0.00 175.30 174.48 1wrd s LEU 43 N 1.17 4.39 -0.00 2.53 1.43 -1.26 -0.61 118.68 126.33 1wrd s LEU 43 Ca 0.03 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 1wrd s LEU 43 Cb -0.21 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1wrd s LEU 43 CO -0.03 0.15 -0.13 -0.63 0.23 0.00 0.00 176.35 175.94 1wrd s ILE 44 N -0.25 1.01 -0.14 -0.59 1.01 0.32 -0.93 121.20 121.64 1wrd s ILE 44 Ca 0.27 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1wrd s ILE 44 Cb -0.17 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.49 1wrd s ILE 44 CO 0.14 0.24 -0.03 0.12 0.00 0.00 0.00 174.94 175.41 1wrd s PHE 45 N -0.37 1.29 -1.53 3.97 5.36 0.72 -0.59 117.98 126.82 1wrd s PHE 45 Ca 0.04 -0.75 -0.14 0.00 -0.96 0.00 0.00 56.93 55.13 1wrd s PHE 45 Cb -0.05 -1.12 0.10 0.00 -0.34 0.00 0.00 43.02 41.60 1wrd s PHE 45 CO -0.00 -0.52 0.84 0.00 -1.46 0.00 0.00 175.22 174.08 1wrd n ALA 46 N 4.99 -1.22 -0.78 11.12 0.00 -1.26 -0.49 120.51 132.87 1wrd n ALA 46 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1wrd n ALA 46 Cb 0.49 -3.96 0.00 0.00 0.00 0.00 0.00 19.45 15.97 1wrd n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wrd n GLY 47 N -1.52 0.85 3.59 0.00 0.00 -1.26 -5.03 105.19 101.81 1wrd n GLY 47 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1wrd n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wrd s LYS 48 N -0.22 3.88 0.29 1.61 2.20 0.36 -5.08 119.74 122.78 1wrd s LYS 48 Ca 0.00 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 1wrd s LYS 48 Cb 0.00 -3.17 -0.10 0.00 -1.51 0.00 0.00 37.83 33.05 1wrd s LYS 48 CO 0.00 0.21 1.17 -1.14 -0.36 0.00 0.00 175.35 175.23 1wrd s GLN 49 N 0.52 4.54 -0.12 4.03 2.00 -1.26 -0.20 119.66 129.17 1wrd s GLN 49 Ca 0.02 1.95 -0.06 0.00 -2.00 0.00 0.00 55.36 55.26 1wrd s GLN 49 Cb -0.13 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.49 1wrd s GLN 49 CO 0.01 0.07 0.11 -0.51 -0.50 0.00 0.00 175.29 174.48 1wrd s LEU 50 N -1.53 4.22 -0.07 3.68 1.43 -0.10 -4.91 118.68 121.40 1wrd s LEU 50 Ca 0.46 0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 53.78 1wrd s LEU 50 Cb -0.35 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1wrd s LEU 50 CO 0.45 0.37 0.43 -1.61 0.23 0.00 0.00 176.35 176.23 1wrd s GLU 51 N -0.82 4.17 0.51 1.70 0.41 -1.26 -4.73 118.70 118.67 1wrd s GLU 51 Ca 0.14 0.40 0.24 0.00 -0.41 0.00 0.00 54.97 55.34 1wrd s GLU 51 Cb -0.12 -3.35 1.33 0.00 -1.78 0.00 0.00 34.13 30.21 1wrd s GLU 51 CO 0.03 0.38 1.96 -0.44 -0.49 0.00 0.00 175.26 176.70 1wrd h ASP 52 N 5.89 0.09 0.21 -0.19 3.32 -1.99 -2.57 116.42 121.19 1wrd h ASP 52 Ca -0.45 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 56.40 1wrd h ASP 52 Cb 1.19 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1wrd h ASP 52 CO 0.70 0.05 -0.82 1.23 -1.72 0.00 0.00 179.24 178.67 1wrd h GLY 53 N 0.10 0.53 -0.94 2.75 0.00 -1.95 -1.82 103.07 101.75 1wrd h GLY 53 Ca 0.31 -0.82 -0.45 0.00 0.00 0.00 0.00 47.33 46.38 1wrd h GLY 53 CO -0.03 0.72 0.16 0.50 0.00 0.00 0.00 176.54 177.89 1wrd s ARG 54 N -3.50 0.15 0.42 4.80 1.81 -0.97 -4.75 118.95 116.90 1wrd s ARG 54 Ca -0.07 0.58 0.07 0.00 -1.72 0.00 0.00 55.73 54.60 1wrd s ARG 54 Cb 0.09 -1.70 -0.04 0.00 -0.45 0.00 0.00 34.95 32.86 1wrd s ARG 54 CO 0.86 -2.94 0.25 0.95 -0.68 0.00 0.00 175.30 173.75 1wrd s THR 55 N -2.86 2.41 0.30 0.02 -4.23 -1.26 -1.45 115.64 108.56 1wrd s THR 55 Ca 0.66 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1wrd s THR 55 Cb -0.20 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.82 1wrd s THR 55 CO 0.59 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.45 1wrd h LEU 56 N 1.27 0.66 -0.65 4.79 3.38 -1.27 -2.44 115.31 121.05 1wrd h LEU 56 Ca -0.42 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1wrd h LEU 56 Cb 1.26 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1wrd h LEU 56 CO 0.65 0.68 0.29 -1.28 0.09 0.00 0.00 178.44 178.88 1wrd h SER 57 N 0.68 0.87 -0.79 -0.43 0.87 -1.43 0.19 113.55 113.51 1wrd h SER 57 Ca 0.15 -0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1wrd h SER 57 Cb 0.30 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1wrd h SER 57 CO 0.00 0.77 0.47 0.44 -0.53 0.00 0.00 176.83 177.98 1wrd h ASP 58 N 0.90 0.71 -0.23 6.23 3.45 -1.72 0.24 116.42 126.00 1wrd h ASP 58 Ca 0.22 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1wrd h ASP 58 Cb 0.15 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1wrd h ASP 58 CO -0.02 0.44 0.00 -1.22 -1.57 0.00 0.00 179.24 176.87 1wrd n TYR 59 N -4.70 0.31 -2.23 4.55 4.02 -1.08 -4.88 117.16 113.15 1wrd n TYR 59 Ca 0.11 -0.16 -0.21 0.00 -0.01 0.00 0.00 57.90 57.64 1wrd n TYR 59 Cb 0.20 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 1wrd n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1wrd n ASN 60 N 0.18 -5.80 -4.64 7.72 5.15 0.07 -4.92 115.26 113.02 1wrd n ASN 60 Ca 0.08 0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.72 1wrd n ASN 60 Cb 0.20 -4.89 -0.02 0.00 -0.53 0.00 0.00 39.78 34.54 1wrd n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wrd s ILE 61 N -2.98 4.43 0.00 -1.44 1.01 0.63 -5.00 121.20 117.86 1wrd s ILE 61 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1wrd s ILE 61 Cb 0.00 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1wrd s ILE 61 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 174.94 174.47 1wrd n GLN 62 N 6.95 2.53 -1.99 2.79 6.02 -1.26 -4.39 117.38 128.03 1wrd n GLN 62 Ca 0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.71 1wrd n GLN 62 Cb 0.47 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.72 1wrd n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1wrd s LYS 63 N -0.09 4.19 0.00 -1.09 2.20 -1.26 -2.44 119.74 121.25 1wrd s LYS 63 Ca 0.00 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1wrd s LYS 63 Cb 0.00 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1wrd s LYS 63 CO 0.00 -0.37 0.00 0.39 -0.36 0.00 0.00 175.35 175.01 1wrd n GLU 64 N 0.55 -0.55 -1.93 4.03 -0.58 -0.54 -4.98 120.64 116.63 1wrd n GLU 64 Ca 0.01 0.14 -0.35 0.00 -0.42 0.00 0.00 57.16 56.53 1wrd n GLU 64 Cb 0.41 -3.82 0.04 0.00 -0.57 0.00 0.00 31.44 27.50 1wrd n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wrd s SER 65 N -2.22 5.09 -0.16 1.62 0.01 -1.02 -4.73 113.70 112.29 1wrd s SER 65 Ca 0.00 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.60 1wrd s SER 65 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wrd s SER 65 CO 0.00 -1.66 -0.15 -0.89 0.41 0.00 0.00 173.24 170.95 1wrd s THR 66 N -1.72 2.69 0.27 1.44 2.01 -1.26 -1.29 115.64 117.78 1wrd s THR 66 Ca 0.76 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 62.09 1wrd s THR 66 Cb -0.29 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1wrd s THR 66 CO 0.35 0.51 0.05 -0.76 -0.69 0.00 0.00 174.62 174.08 1wrd s LEU 67 N 0.82 3.35 -0.03 4.42 1.02 0.69 -4.65 118.68 124.31 1wrd s LEU 67 Ca -0.05 -0.55 0.06 0.00 0.02 0.00 0.00 54.13 53.60 1wrd s LEU 67 Cb -0.15 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.16 1wrd s LEU 67 CO -0.00 -0.02 -0.19 -1.00 0.02 0.00 0.00 176.35 175.16 1wrd s HIS 68 N -2.28 2.55 -0.21 0.29 3.76 0.24 -0.51 115.29 119.13 1wrd s HIS 68 Ca 0.32 -0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 1wrd s HIS 68 Cb -0.07 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1wrd s HIS 68 CO 0.21 0.12 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.96 1wrd s LEU 69 N -0.79 2.69 -0.18 0.89 2.96 0.00 -0.52 118.68 123.74 1wrd s LEU 69 Ca 0.11 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1wrd s LEU 69 Cb -0.10 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1wrd s LEU 69 CO 0.01 -0.02 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.24 1wrd s VAL 70 N 1.41 3.16 0.20 1.68 1.01 0.22 -3.76 120.40 124.32 1wrd s VAL 70 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1wrd s VAL 70 Cb -0.14 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.77 1wrd s VAL 70 CO -0.06 0.47 0.99 -0.76 0.00 0.00 0.00 175.10 175.74 1wrd s LEU 71 N 1.05 4.57 0.15 3.92 1.43 -1.26 -0.97 118.68 127.57 1wrd s LEU 71 Ca 0.00 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 1wrd s LEU 71 Cb -0.15 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 1wrd s LEU 71 CO -0.01 -0.01 1.13 -0.13 0.23 0.00 0.00 176.35 177.56 1wrd s ARG 72 N -0.75 4.54 -0.05 1.70 0.52 -0.19 -4.94 118.95 119.78 1wrd s ARG 72 Ca 0.44 1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 57.10 1wrd s ARG 72 Cb -0.27 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1wrd s ARG 72 CO 0.33 -0.03 1.05 -0.51 0.02 0.00 0.00 175.30 176.16 1wrd s LEU 73 N 0.01 4.30 0.12 2.53 1.43 -1.26 -4.92 118.68 120.89 1wrd s LEU 73 Ca 0.52 1.66 0.14 0.00 -1.03 0.00 0.00 54.13 55.42 1wrd s LEU 73 Cb -0.30 -3.56 0.63 0.00 0.03 0.00 0.00 46.19 42.99 1wrd s LEU 73 CO 0.34 -0.41 1.42 -2.11 0.23 0.00 0.00 176.35 175.81 1wrd n ARG 74 N 4.60 0.07 -0.47 1.70 1.85 -1.26 -2.22 116.66 120.93 1wrd n ARG 74 Ca 0.08 0.44 0.03 0.00 -1.00 0.00 0.00 57.85 57.40 1wrd n ARG 74 Cb 0.49 -1.67 0.05 0.00 -1.05 0.00 0.00 32.46 30.28 1wrd n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wrd n GLY 75 N -0.68 1.99 3.69 2.89 0.00 -1.26 -5.31 105.19 106.51 1wrd n GLY 75 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1wrd n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93