#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7p s GLN 2 N 0.00 3.52 0.26 3.17 -0.21 -1.26 -0.60 119.66 124.54 3h7p s GLN 2 Ca 0.00 -0.28 0.07 0.00 0.02 0.00 0.00 55.36 55.17 3h7p s GLN 2 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 3h7p s GLN 2 CO 0.00 0.57 -0.08 0.96 -2.12 0.00 0.00 175.29 174.63 3h7p s ILE 3 N -0.47 1.65 0.04 1.08 -4.36 -0.33 -0.09 121.20 118.71 3h7p s ILE 3 Ca 0.10 -2.15 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 3h7p s ILE 3 Cb -0.12 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.21 3h7p s ILE 3 CO 0.02 -0.37 -0.02 -0.36 0.24 0.00 0.00 174.94 174.44 3h7p s PHE 4 N -3.02 2.98 -0.13 1.37 0.08 0.59 -0.25 117.98 119.60 3h7p s PHE 4 Ca 0.28 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.34 3h7p s PHE 4 Cb 0.03 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3h7p s PHE 4 CO 0.11 0.44 -0.15 0.08 -0.10 0.00 0.00 175.22 175.59 3h7p s VAL 5 N -1.15 1.60 -0.34 -0.44 1.01 -0.50 0.11 120.40 120.69 3h7p s VAL 5 Ca 0.21 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3h7p s VAL 5 Cb -0.11 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3h7p s VAL 5 CO 0.13 0.46 1.07 -0.75 0.00 0.00 0.00 175.10 176.01 3h7p s LYS 6 N 1.23 4.02 0.52 2.72 2.20 0.59 -1.11 119.74 129.92 3h7p s LYS 6 Ca -0.00 0.99 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 3h7p s LYS 6 Cb -0.14 -3.76 0.11 0.00 -1.51 0.00 0.00 37.83 32.54 3h7p s LYS 6 CO -0.07 -0.96 0.72 0.25 -0.36 0.00 0.00 175.35 174.93 3h7p n THR 7 N 5.98 0.00 0.35 3.43 -2.24 0.21 -0.91 114.28 121.11 3h7p n THR 7 Ca 0.12 -0.82 0.13 0.00 -2.27 0.00 0.00 64.05 61.21 3h7p n THR 7 Cb 0.47 -1.35 0.55 0.00 -2.10 0.00 0.00 70.33 67.90 3h7p n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3h7p h LEU 8 N 0.00 0.00 0.00 3.22 3.38 -1.86 -2.38 115.31 117.67 3h7p h LEU 8 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3h7p h LEU 8 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3h7p h LEU 8 CO 0.21 0.00 -0.88 0.35 0.09 0.00 0.00 178.44 178.20 3h7p n THR 9 N -2.37 0.24 0.00 0.22 -2.24 -1.26 -4.94 114.28 103.93 3h7p n THR 9 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3h7p n THR 9 Cb 0.21 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3h7p n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h7p n GLY 10 N 1.35 1.73 3.75 3.38 0.00 -0.89 -5.06 105.19 109.45 3h7p n GLY 10 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3h7p n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h7p s LYS 11 N -0.93 2.39 -0.10 1.61 2.20 -1.26 -4.68 119.74 118.97 3h7p s LYS 11 Ca 0.00 1.39 0.04 0.00 -0.36 0.00 0.00 55.97 57.03 3h7p s LYS 11 Cb 0.00 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 3h7p s LYS 11 CO 0.00 -1.57 -0.23 0.99 -0.36 0.00 0.00 175.35 174.18 3h7p s THR 12 N -2.49 1.97 0.36 3.43 2.01 -1.26 -0.62 115.64 119.04 3h7p s THR 12 Ca 0.66 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.78 3h7p s THR 12 Cb -0.21 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3h7p s THR 12 CO 0.48 0.54 0.18 0.27 -0.69 0.00 0.00 174.62 175.40 3h7p s ILE 13 N 0.41 2.91 -0.11 1.82 -4.36 -0.26 -4.95 121.20 116.66 3h7p s ILE 13 Ca -0.18 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 3h7p s ILE 13 Cb -0.18 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.53 3h7p s ILE 13 CO 0.08 -0.13 -0.18 -0.89 0.24 0.00 0.00 174.94 174.05 3h7p s THR 14 N -2.45 2.60 -0.06 8.37 2.01 -1.26 -1.41 115.64 123.43 3h7p s THR 14 Ca 0.40 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3h7p s THR 14 Cb -0.02 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 3h7p s THR 14 CO 0.23 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.79 3h7p s LEU 15 N 0.26 2.63 -0.25 4.42 1.43 0.66 -4.97 118.68 122.86 3h7p s LEU 15 Ca -0.13 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 3h7p s LEU 15 Cb -0.16 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3h7p s LEU 15 CO 0.07 0.31 0.60 -0.70 0.23 0.00 0.00 176.35 176.86 3h7p s GLU 16 N -0.51 4.12 0.17 1.70 2.56 -1.26 -1.19 118.70 124.29 3h7p s GLU 16 Ca 0.07 0.51 0.01 0.00 0.00 0.00 0.00 54.97 55.55 3h7p s GLU 16 Cb -0.12 -3.64 -0.04 0.00 2.00 0.00 0.00 34.13 32.33 3h7p s GLU 16 CO 0.01 -0.37 0.03 0.14 -0.56 0.00 0.00 175.26 174.52 3h7p s VAL 17 N 2.35 0.46 0.08 3.70 -7.23 0.23 -4.97 120.40 115.03 3h7p s VAL 17 Ca 0.25 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 3h7p s VAL 17 Cb -0.16 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3h7p s VAL 17 CO 0.09 -0.40 0.10 -1.61 -0.31 0.00 0.00 175.10 172.96 3h7p s GLU 18 N -3.98 2.95 0.53 4.82 2.02 -1.26 -0.88 118.70 122.90 3h7p s GLU 18 Ca 0.26 -0.67 0.21 0.00 0.02 0.00 0.00 54.97 54.79 3h7p s GLU 18 Cb 0.07 -2.76 1.36 0.00 0.10 0.00 0.00 34.13 32.90 3h7p s GLU 18 CO 0.05 0.57 2.07 -1.35 0.02 0.00 0.00 175.26 176.61 3h7p h PRO 19 N 3.21 0.00 -0.10 0.39 0.11 -1.96 -0.82 132.00 132.83 3h7p h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h7p h PRO 19 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h7p h PRO 19 CO 0.67 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.89 3h7p n SER 20 N -4.41 2.41 -4.62 -2.05 7.64 -1.26 -1.23 113.62 110.09 3h7p n SER 20 Ca 0.03 -1.80 -0.42 0.00 1.01 0.00 0.00 58.87 57.70 3h7p n SER 20 Cb 0.35 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.51 3h7p n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h7p n ASP 21 N 0.86 1.49 -4.88 6.43 8.00 -0.32 -4.65 116.55 123.48 3h7p n ASP 21 Ca 0.17 1.07 -0.30 0.00 0.71 0.00 0.00 54.79 56.43 3h7p n ASP 21 Cb 0.49 -1.37 0.02 0.00 -0.02 0.00 0.00 41.12 40.23 3h7p n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3h7p s THR 22 N -1.24 4.48 0.41 -3.53 -4.23 -1.26 -1.01 115.64 109.27 3h7p s THR 22 Ca 0.62 0.68 0.09 0.00 -1.18 0.00 0.00 61.69 61.90 3h7p s THR 22 Cb -0.57 -3.78 0.23 0.00 1.34 0.00 0.00 72.50 69.72 3h7p s THR 22 CO 0.57 -0.99 2.02 0.40 -0.54 0.00 0.00 174.62 176.09 3h7p h ILE 23 N -0.30 1.11 -0.71 2.99 1.08 -0.78 -2.06 117.51 118.85 3h7p h ILE 23 Ca -0.45 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 63.68 3h7p h ILE 23 Cb 1.21 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 3h7p h ILE 23 CO 0.62 0.13 0.42 -0.08 -0.69 0.00 0.00 178.15 178.56 3h7p h GLU 24 N 0.40 0.97 -0.83 2.37 4.57 -1.60 -1.33 114.58 119.13 3h7p h GLU 24 Ca 0.10 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3h7p h GLU 24 Cb 0.08 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3h7p h GLU 24 CO -0.01 0.69 0.53 -0.91 -1.18 0.00 0.00 179.01 178.13 3h7p h ASN 25 N 0.97 0.88 -0.71 1.04 2.35 -1.68 -1.33 115.58 117.09 3h7p h ASN 25 Ca 0.25 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 3h7p h ASN 25 Cb -0.03 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3h7p h ASN 25 CO -0.05 0.60 0.23 0.58 -1.65 0.00 0.00 177.43 177.14 3h7p h VAL 26 N 1.03 1.26 -0.45 2.81 2.07 -1.11 -2.04 116.25 119.82 3h7p h VAL 26 Ca 0.33 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3h7p h VAL 26 Cb 0.02 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3h7p h VAL 26 CO -0.12 0.34 -0.01 0.11 0.02 0.00 0.00 177.57 177.92 3h7p h LYS 27 N 1.04 0.73 -0.66 1.57 1.57 -0.78 0.46 116.57 120.50 3h7p h LYS 27 Ca 0.23 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3h7p h LYS 27 Cb 0.29 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3h7p h LYS 27 CO -0.01 0.75 0.08 0.00 -0.57 0.00 0.00 179.45 179.70 3h7p h ALA 28 N 1.31 0.88 -0.50 3.86 0.00 -1.03 -1.76 119.26 122.02 3h7p h ALA 28 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h7p h ALA 28 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3h7p h ALA 28 CO 0.02 0.67 0.26 0.87 0.00 0.00 0.00 179.25 181.07 3h7p h LYS 29 N 1.02 0.71 -0.54 0.00 1.57 -0.68 -3.14 116.57 115.51 3h7p h LYS 29 Ca 0.20 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3h7p h LYS 29 Cb 0.48 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3h7p h LYS 29 CO 0.02 0.57 0.22 0.82 -0.57 0.00 0.00 179.45 180.51 3h7p h ILE 30 N 0.66 1.20 -0.27 1.86 2.04 -0.61 -2.35 117.51 120.05 3h7p h ILE 30 Ca 0.17 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3h7p h ILE 30 Cb 0.08 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3h7p h ILE 30 CO -0.03 0.24 -0.07 0.06 0.00 0.00 0.00 178.15 178.36 3h7p h GLN 31 N 0.77 0.42 -0.86 2.37 3.07 -1.28 0.34 115.11 119.95 3h7p h GLN 31 Ca 0.19 -0.10 0.01 0.00 0.09 0.00 0.00 58.65 58.84 3h7p h GLN 31 Cb 0.15 -0.06 -0.04 0.00 0.08 0.00 0.00 27.48 27.61 3h7p h GLN 31 CO -0.02 0.50 0.56 -0.44 0.09 0.00 0.00 178.83 179.53 3h7p h ASP 32 N 0.40 0.97 0.08 0.06 3.32 -1.40 -1.08 116.42 118.77 3h7p h ASP 32 Ca 0.08 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 3h7p h ASP 32 Cb 0.38 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h7p h ASP 32 CO 0.02 0.70 -0.82 0.11 -1.72 0.00 0.00 179.24 177.52 3h7p h LYS 33 N 1.15 0.18 0.00 3.56 1.57 -1.43 -3.42 116.57 118.17 3h7p h LYS 33 Ca 0.32 -0.30 -0.26 0.00 -1.87 0.00 0.00 60.65 58.54 3h7p h LYS 33 Cb -0.11 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3h7p h LYS 33 CO -0.08 1.14 -1.91 0.39 -0.57 0.00 0.00 179.45 178.42 3h7p n GLU 34 N -4.23 0.65 -0.67 3.15 -0.58 0.07 -4.98 120.64 114.05 3h7p n GLU 34 Ca -0.18 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3h7p n GLU 34 Cb 0.74 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 3h7p n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h7p n GLY 35 N 1.56 0.63 3.57 0.62 0.00 -0.41 -5.05 105.19 106.11 3h7p n GLY 35 Ca -0.20 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3h7p n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h7p s ILE 36 N -2.00 5.14 0.38 -0.61 -1.09 -1.26 -5.05 121.20 116.70 3h7p s ILE 36 Ca 0.00 0.32 -0.27 0.00 -2.23 0.00 0.00 60.65 58.47 3h7p s ILE 36 Cb 0.00 -3.80 -0.11 0.00 -1.58 0.00 0.00 42.46 36.97 3h7p s ILE 36 CO 0.00 -0.01 1.24 -2.65 -1.23 0.00 0.00 174.94 172.29 3h7p n PRO 37 N 5.43 1.95 -0.19 2.79 -0.02 -1.26 -4.15 135.00 139.55 3h7p n PRO 37 Ca -0.08 0.69 0.08 0.00 -2.02 0.00 0.00 63.50 62.17 3h7p n PRO 37 Cb 0.50 -2.30 0.37 0.00 -0.02 0.00 0.00 33.50 32.05 3h7p n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h7p h PRO 38 N 2.25 0.69 0.00 0.52 0.11 -1.95 0.16 132.00 133.78 3h7p h PRO 38 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3h7p h PRO 38 Cb 1.29 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h7p h PRO 38 CO 0.61 0.45 -0.07 0.22 -0.21 0.00 0.00 178.00 179.00 3h7p h ASP 39 N 0.71 0.00 -0.41 -2.05 3.58 -1.97 -1.21 116.42 115.07 3h7p h ASP 39 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 3h7p h ASP 39 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3h7p h ASP 39 CO -0.12 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.31 3h7p n GLN 40 N -4.11 2.16 -3.89 0.28 6.02 0.55 -4.82 117.38 113.57 3h7p n GLN 40 Ca -0.03 -1.77 -0.35 0.00 -0.01 0.00 0.00 57.00 54.84 3h7p n GLN 40 Cb 0.16 -1.42 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 3h7p n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3h7p s GLN 41 N -1.46 4.03 -0.08 -1.09 -0.21 -0.46 0.11 119.66 120.50 3h7p s GLN 41 Ca 0.35 -0.31 0.04 0.00 0.02 0.00 0.00 55.36 55.46 3h7p s GLN 41 Cb 0.19 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.89 3h7p s GLN 41 CO 0.26 0.25 -0.20 0.50 -2.12 0.00 0.00 175.29 173.98 3h7p s ARG 42 N 0.47 2.88 -0.13 2.91 3.52 0.29 -4.79 118.95 124.09 3h7p s ARG 42 Ca 0.05 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.83 3h7p s ARG 42 Cb -0.12 -2.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 3h7p s ARG 42 CO 0.00 0.33 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.23 3h7p s LEU 43 N -0.01 3.03 -0.10 -0.88 1.43 -1.26 -0.23 118.68 120.65 3h7p s LEU 43 Ca -0.06 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 3h7p s LEU 43 Cb -0.15 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3h7p s LEU 43 CO 0.05 0.21 -0.23 -0.63 0.23 0.00 0.00 176.35 175.98 3h7p s ILE 44 N 0.12 2.00 -0.09 -0.59 -1.09 0.00 -0.47 121.20 121.08 3h7p s ILE 44 Ca -0.03 -0.98 0.01 0.00 -2.23 0.00 0.00 60.65 57.42 3h7p s ILE 44 Cb -0.14 -1.74 0.02 0.00 -1.58 0.00 0.00 42.46 39.02 3h7p s ILE 44 CO 0.04 0.55 -0.11 0.12 -1.23 0.00 0.00 174.94 174.30 3h7p s PHE 45 N 0.45 1.56 -1.41 3.97 5.36 0.67 -0.31 117.98 128.26 3h7p s PHE 45 Ca -0.17 -0.68 -0.05 0.00 -0.96 0.00 0.00 56.93 55.07 3h7p s PHE 45 Cb -0.17 -1.19 0.04 0.00 -0.34 0.00 0.00 43.02 41.35 3h7p s PHE 45 CO 0.07 -0.39 0.76 0.00 -1.46 0.00 0.00 175.22 174.20 3h7p n ALA 46 N 4.25 -1.73 0.00 11.12 0.00 -1.26 -0.97 120.51 131.91 3h7p n ALA 46 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3h7p n ALA 46 Cb 0.51 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.14 3h7p n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7p n GLY 47 N -1.67 2.45 3.86 0.00 0.00 -1.26 -5.00 105.19 103.58 3h7p n GLY 47 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3h7p n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7p s LYS 48 N 0.00 3.79 -0.03 1.61 1.02 -0.15 -5.02 119.74 120.95 3h7p s LYS 48 Ca 0.00 0.22 -0.28 0.00 0.02 0.00 0.00 55.97 55.93 3h7p s LYS 48 Cb 0.00 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 3h7p s LYS 48 CO 0.00 0.61 0.89 -1.14 -0.92 0.00 0.00 175.35 174.79 3h7p s GLN 49 N -1.65 4.51 0.05 1.68 0.74 -1.26 -0.24 119.66 123.48 3h7p s GLN 49 Ca 0.30 1.25 -0.14 0.00 0.05 0.00 0.00 55.36 56.81 3h7p s GLN 49 Cb -0.15 -3.46 -0.06 0.00 1.10 0.00 0.00 33.01 30.44 3h7p s GLN 49 CO 0.16 -0.04 0.44 -0.51 -0.55 0.00 0.00 175.29 174.80 3h7p s LEU 50 N 1.04 4.44 -0.12 3.68 1.43 0.38 -4.96 118.68 124.57 3h7p s LEU 50 Ca 0.47 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.46 3h7p s LEU 50 Cb -0.20 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3h7p s LEU 50 CO 0.24 0.26 0.17 -0.70 0.23 0.00 0.00 176.35 176.55 3h7p s GLU 51 N -1.39 3.64 0.45 1.70 2.12 -1.26 -4.63 118.70 119.34 3h7p s GLU 51 Ca 0.28 -0.07 0.12 0.00 0.36 0.00 0.00 54.97 55.66 3h7p s GLU 51 Cb -0.16 -3.24 1.01 0.00 0.26 0.00 0.00 34.13 32.00 3h7p s GLU 51 CO 0.16 0.67 2.05 -0.44 -0.54 0.00 0.00 175.26 177.16 3h7p h ASP 52 N 5.29 0.18 1.10 -1.70 3.32 -1.98 -1.75 116.42 120.89 3h7p h ASP 52 Ca -0.52 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3h7p h ASP 52 Cb 1.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3h7p h ASP 52 CO 0.62 0.21 -0.24 0.61 -1.72 0.00 0.00 179.24 178.71 3h7p n GLY 53 N -1.31 -1.54 3.94 2.75 0.00 -1.26 -1.73 105.19 106.05 3h7p n GLY 53 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3h7p n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h7p s ARG 54 N -3.09 2.90 0.37 1.61 0.52 -0.66 -4.85 118.95 115.76 3h7p s ARG 54 Ca 0.10 -0.39 0.08 0.00 -0.52 0.00 0.00 55.73 55.00 3h7p s ARG 54 Cb 0.14 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 3h7p s ARG 54 CO 0.63 -0.50 0.30 0.95 0.02 0.00 0.00 175.30 176.70 3h7p s THR 55 N -2.74 3.07 0.20 0.02 -4.23 -1.26 -0.58 115.64 110.12 3h7p s THR 55 Ca 0.52 -1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 59.50 3h7p s THR 55 Cb -0.10 -3.08 0.13 0.00 1.34 0.00 0.00 72.50 70.79 3h7p s THR 55 CO 0.40 -0.10 1.79 -0.07 -0.54 0.00 0.00 174.62 176.10 3h7p h LEU 56 N 1.22 0.46 -1.10 4.79 3.38 -1.13 -2.78 115.31 120.14 3h7p h LEU 56 Ca -0.43 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3h7p h LEU 56 Cb 1.26 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3h7p h LEU 56 CO 0.59 0.29 0.29 0.77 0.09 0.00 0.00 178.44 180.47 3h7p h SER 57 N 0.60 0.83 -1.00 -0.43 4.64 -1.41 -1.03 113.55 115.74 3h7p h SER 57 Ca 0.28 -0.10 0.26 0.00 -0.47 0.00 0.00 61.79 61.76 3h7p h SER 57 Cb 0.21 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3h7p h SER 57 CO -0.20 0.72 0.67 0.44 -0.87 0.00 0.00 176.83 177.60 3h7p h ASP 58 N 0.91 0.31 -0.48 4.97 3.32 -1.80 -0.95 116.42 122.70 3h7p h ASP 58 Ca 0.22 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3h7p h ASP 58 Cb 0.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3h7p h ASP 58 CO -0.03 0.08 0.00 -1.22 -1.72 0.00 0.00 179.24 176.36 3h7p n TYR 59 N -4.48 0.64 -3.79 4.55 4.01 -0.63 -4.95 117.16 112.51 3h7p n TYR 59 Ca 0.22 -0.41 -0.29 0.00 -0.16 0.00 0.00 57.90 57.26 3h7p n TYR 59 Cb 0.89 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.93 3h7p n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h7p n ASN 60 N 1.17 -4.81 -4.62 7.72 5.15 -0.36 -4.92 115.26 114.57 3h7p n ASN 60 Ca 0.18 -0.70 -0.43 0.00 -0.60 0.00 0.00 54.58 53.03 3h7p n ASN 60 Cb 0.53 -3.86 -0.02 0.00 -0.53 0.00 0.00 39.78 35.90 3h7p n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h7p s ILE 61 N -3.24 4.37 0.34 -1.44 1.01 -0.49 -5.01 121.20 116.73 3h7p s ILE 61 Ca 0.62 1.52 0.02 0.00 0.00 0.00 0.00 60.65 62.81 3h7p s ILE 61 Cb -0.31 -4.48 0.02 0.00 0.01 0.00 0.00 42.46 37.71 3h7p s ILE 61 CO 0.76 -0.68 0.18 0.00 0.00 0.00 0.00 174.94 175.19 3h7p n GLN 62 N 7.27 1.06 -1.82 2.79 6.02 -1.26 -4.56 117.38 126.87 3h7p n GLN 62 Ca 0.12 -2.22 -0.39 0.00 -0.01 0.00 0.00 57.00 54.50 3h7p n GLN 62 Cb 0.48 0.36 0.02 0.00 1.02 0.00 0.00 30.24 32.12 3h7p n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3h7p s LYS 63 N -3.33 3.51 0.00 -1.09 -2.85 -1.26 -1.73 119.74 112.98 3h7p s LYS 63 Ca 0.13 2.32 0.00 0.00 -1.00 0.00 0.00 55.97 57.42 3h7p s LYS 63 Cb -0.01 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 3h7p s LYS 63 CO 0.08 -0.92 0.00 0.39 0.10 0.00 0.00 175.35 175.00 3h7p n GLU 64 N -0.48 -0.37 -1.79 1.78 1.02 0.88 -4.99 120.64 116.68 3h7p n GLU 64 Ca 0.07 0.09 -0.40 0.00 -0.02 0.00 0.00 57.16 56.90 3h7p n GLU 64 Cb 0.43 -3.49 0.02 0.00 -0.02 0.00 0.00 31.44 28.38 3h7p n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3h7p s SER 65 N -2.31 5.89 -0.20 1.62 0.01 -0.70 -4.68 113.70 113.31 3h7p s SER 65 Ca 0.00 2.94 -0.05 0.00 1.31 0.00 0.00 55.95 60.15 3h7p s SER 65 Cb 0.00 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3h7p s SER 65 CO 0.00 -1.17 0.01 -0.89 0.41 0.00 0.00 173.24 171.59 3h7p s THR 66 N -1.19 3.98 0.04 1.44 2.01 -1.26 -0.30 115.64 120.37 3h7p s THR 66 Ca 0.61 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 3h7p s THR 66 Cb -0.44 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 3h7p s THR 66 CO 0.57 0.42 0.21 -0.76 -0.69 0.00 0.00 174.62 174.37 3h7p s LEU 67 N 1.04 4.36 -0.18 4.42 1.02 0.12 -4.62 118.68 124.84 3h7p s LEU 67 Ca 0.02 0.30 -0.05 0.00 0.02 0.00 0.00 54.13 54.42 3h7p s LEU 67 Cb -0.14 -2.87 -0.03 0.00 0.02 0.00 0.00 46.19 43.17 3h7p s LEU 67 CO 0.02 0.19 -0.01 -1.00 0.02 0.00 0.00 176.35 175.58 3h7p s HIS 68 N -1.46 3.06 -0.11 0.29 3.76 0.58 -0.30 115.29 121.11 3h7p s HIS 68 Ca 0.33 -0.30 -0.21 0.00 -0.15 0.00 0.00 55.06 54.73 3h7p s HIS 68 Cb -0.13 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 3h7p s HIS 68 CO 0.25 -0.09 0.58 -1.17 -0.85 0.00 0.00 174.74 173.47 3h7p s LEU 69 N 0.63 4.27 0.01 0.89 2.96 -0.09 -0.82 118.68 126.53 3h7p s LEU 69 Ca -0.01 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 54.92 3h7p s LEU 69 Cb -0.14 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 3h7p s LEU 69 CO 0.02 -0.09 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.06 3h7p s VAL 70 N 0.92 1.65 0.11 1.68 1.01 0.68 -4.55 120.40 121.91 3h7p s VAL 70 Ca 0.31 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 3h7p s VAL 70 Cb -0.16 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 3h7p s VAL 70 CO 0.13 0.35 1.12 -0.22 0.00 0.00 0.00 175.10 176.48 3h7p s LEU 71 N -0.79 4.43 -0.36 3.92 2.96 -1.26 -0.55 118.68 127.02 3h7p s LEU 71 Ca 0.08 2.01 -0.07 0.00 -0.22 0.00 0.00 54.13 55.93 3h7p s LEU 71 Cb -0.08 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.07 3h7p s LEU 71 CO 0.00 -0.32 0.15 -0.60 -1.32 0.00 0.00 176.35 174.27 3h7p s ARG 72 N 0.33 2.56 -0.10 1.98 3.52 0.12 -4.81 118.95 122.55 3h7p s ARG 72 Ca 0.53 -1.30 -0.02 0.00 -0.13 0.00 0.00 55.73 54.80 3h7p s ARG 72 Cb -0.28 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 3h7p s ARG 72 CO 0.32 -0.77 0.00 -0.48 -0.81 0.00 0.00 175.30 173.56 3h7p s LEU 73 N 1.39 3.56 0.50 -0.88 0.05 -1.26 -4.49 118.68 117.55 3h7p s LEU 73 Ca 0.00 0.12 0.06 0.00 0.05 0.00 0.00 54.13 54.36 3h7p s LEU 73 Cb -0.21 -1.82 0.01 0.00 -2.05 0.00 0.00 46.19 42.12 3h7p s LEU 73 CO 0.02 0.35 0.32 -0.13 -0.55 0.00 0.00 176.35 176.36 3h7p s ARG 74 N -0.72 2.28 2.52 1.48 0.52 -1.26 -5.04 118.95 118.72 3h7p s ARG 74 Ca 0.11 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 3h7p s ARG 74 Cb -0.12 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.30 3h7p s ARG 74 CO 0.02 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.30 3h7p n GLY 75 N -1.59 -0.29 2.90 -3.53 0.00 -1.26 -5.28 105.19 96.13 3h7p n GLY 75 Ca -0.03 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3h7p n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93