#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7s s GLN 2 N 0.00 2.20 0.14 2.12 0.74 -1.26 0.64 119.66 124.25 3h7s s GLN 2 Ca 0.00 -0.89 0.04 0.00 0.05 0.00 0.00 55.36 54.56 3h7s s GLN 2 Cb 0.00 -2.10 -0.04 0.00 1.10 0.00 0.00 33.01 31.96 3h7s s GLN 2 CO 0.00 0.56 -0.10 0.96 -0.55 0.00 0.00 175.29 176.16 3h7s s ILE 3 N -0.60 1.12 -0.03 -2.34 -4.36 -0.29 0.10 121.20 114.80 3h7s s ILE 3 Ca 0.09 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.44 3h7s s ILE 3 Cb -0.10 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3h7s s ILE 3 CO -0.00 -0.75 0.05 -0.36 0.24 0.00 0.00 174.94 174.11 3h7s s PHE 4 N -3.32 3.23 -0.18 1.37 0.08 -0.30 -0.57 117.98 118.29 3h7s s PHE 4 Ca 0.16 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.41 3h7s s PHE 4 Cb 0.03 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3h7s s PHE 4 CO 0.00 0.53 -0.11 0.08 -0.10 0.00 0.00 175.22 175.62 3h7s s VAL 5 N -1.08 1.52 -0.09 -0.44 1.01 0.12 0.22 120.40 121.65 3h7s s VAL 5 Ca 0.19 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 3h7s s VAL 5 Cb -0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3h7s s VAL 5 CO 0.09 0.26 0.28 -0.54 0.00 0.00 0.00 175.10 175.19 3h7s s LYS 6 N 1.47 3.89 0.51 2.72 1.02 0.55 -0.25 119.74 129.65 3h7s s LYS 6 Ca 0.01 0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.16 3h7s s LYS 6 Cb -0.15 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3h7s s LYS 6 CO -0.09 0.56 0.72 0.95 -0.92 0.00 0.00 175.35 176.57 3h7s s THR 7 N -0.52 2.79 0.38 2.17 -4.23 -0.37 -0.30 115.64 115.55 3h7s s THR 7 Ca 0.18 -0.75 0.15 0.00 -1.18 0.00 0.00 61.69 60.10 3h7s s THR 7 Cb -0.14 -3.01 0.36 0.00 1.34 0.00 0.00 72.50 71.05 3h7s s THR 7 CO 0.07 -0.01 1.78 0.25 -0.54 0.00 0.00 174.62 176.18 3h7s h LEU 8 N 0.23 0.52 -0.43 4.79 5.85 -1.90 -1.70 115.31 122.67 3h7s h LEU 8 Ca -0.42 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3h7s h LEU 8 Cb 1.29 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3h7s h LEU 8 CO 0.50 0.14 0.00 0.35 -0.34 0.00 0.00 178.44 179.09 3h7s n THR 9 N -4.65 0.14 -0.86 1.05 -2.24 -1.26 -4.85 114.28 101.62 3h7s n THR 9 Ca 0.24 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3h7s n THR 9 Cb 0.77 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3h7s n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h7s n GLY 10 N 0.74 0.90 3.77 3.38 0.00 -0.64 -5.02 105.19 108.32 3h7s n GLY 10 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3h7s n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h7s s LYS 11 N -0.14 4.29 -0.25 1.61 2.20 -1.26 -4.80 119.74 121.39 3h7s s LYS 11 Ca 0.00 2.12 -0.02 0.00 -0.36 0.00 0.00 55.97 57.71 3h7s s LYS 11 Cb 0.00 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.36 3h7s s LYS 11 CO 0.00 -0.21 -0.05 0.99 -0.36 0.00 0.00 175.35 175.72 3h7s s THR 12 N -1.19 2.97 -0.11 3.43 2.01 -1.26 -1.24 115.64 120.25 3h7s s THR 12 Ca 0.51 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 3h7s s THR 12 Cb -0.38 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3h7s s THR 12 CO 0.49 0.23 0.13 -0.63 -0.69 0.00 0.00 174.62 174.15 3h7s s ILE 13 N 1.35 5.37 -0.16 1.82 1.01 0.65 -4.94 121.20 126.31 3h7s s ILE 13 Ca 0.01 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 3h7s s ILE 13 Cb -0.16 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3h7s s ILE 13 CO -0.04 0.60 -0.03 -0.89 0.00 0.00 0.00 174.94 174.59 3h7s s THR 14 N -1.03 3.98 0.06 2.92 2.01 -1.26 0.11 115.64 122.43 3h7s s THR 14 Ca 0.15 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.92 3h7s s THR 14 Cb -0.12 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 3h7s s THR 14 CO 0.04 0.49 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.44 3h7s s LEU 15 N 0.37 2.19 -0.26 4.42 1.43 0.26 -4.98 118.68 122.12 3h7s s LEU 15 Ca -0.03 -0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 3h7s s LEU 15 Cb -0.14 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3h7s s LEU 15 CO 0.03 0.25 0.45 -0.70 0.23 0.00 0.00 176.35 176.60 3h7s s GLU 16 N -1.34 4.06 0.29 1.70 2.56 -1.26 -1.13 118.70 123.57 3h7s s GLU 16 Ca 0.12 0.20 0.06 0.00 0.00 0.00 0.00 54.97 55.35 3h7s s GLU 16 Cb -0.10 -3.64 -0.02 0.00 2.00 0.00 0.00 34.13 32.37 3h7s s GLU 16 CO 0.03 -0.28 0.22 1.33 -0.56 0.00 0.00 175.26 175.99 3h7s n VAL 17 N 5.04 0.00 -4.11 3.70 0.24 0.21 -4.99 118.33 118.41 3h7s n VAL 17 Ca -0.06 -2.03 -0.12 0.00 -2.04 0.00 0.00 64.34 60.10 3h7s n VAL 17 Cb 0.50 0.97 -0.11 0.00 -1.47 0.00 0.00 33.84 33.74 3h7s n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3h7s s GLU 18 N -3.16 0.68 0.41 7.34 2.02 -1.26 -2.83 118.70 121.90 3h7s s GLU 18 Ca 0.31 -1.06 0.13 0.00 0.02 0.00 0.00 54.97 54.38 3h7s s GLU 18 Cb 0.02 -0.22 0.98 0.00 0.10 0.00 0.00 34.13 35.00 3h7s s GLU 18 CO 0.22 0.01 1.92 -1.35 0.02 0.00 0.00 175.26 176.07 3h7s h PRO 19 N 3.69 0.48 -0.00 0.39 0.11 -1.97 -1.45 132.00 133.25 3h7s h PRO 19 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3h7s h PRO 19 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h7s h PRO 19 CO 0.54 0.32 -0.08 -1.13 -0.21 0.00 0.00 178.00 177.43 3h7s n SER 20 N -4.49 0.49 -4.74 -2.05 3.41 -1.26 -1.33 113.62 103.65 3h7s n SER 20 Ca 0.14 -0.71 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 3h7s n SER 20 Cb 0.48 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 3h7s n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h7s n ASP 21 N -0.86 3.71 -4.89 4.04 8.00 -0.55 -4.74 116.55 121.26 3h7s n ASP 21 Ca 0.16 1.17 -0.29 0.00 0.71 0.00 0.00 54.79 56.54 3h7s n ASP 21 Cb 0.26 -1.58 0.01 0.00 -0.02 0.00 0.00 41.12 39.79 3h7s n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3h7s s THR 22 N -0.28 4.57 0.39 -3.53 -4.23 -1.26 -1.17 115.64 110.12 3h7s s THR 22 Ca 0.62 0.51 0.07 0.00 -1.18 0.00 0.00 61.69 61.70 3h7s s THR 22 Cb -0.51 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 69.77 3h7s s THR 22 CO 0.52 -0.92 1.99 0.40 -0.54 0.00 0.00 174.62 176.07 3h7s h ILE 23 N -0.14 1.14 -0.97 2.99 1.08 -0.95 -0.42 117.51 120.25 3h7s h ILE 23 Ca -0.45 -0.41 0.06 0.00 -0.39 0.00 0.00 64.86 63.66 3h7s h ILE 23 Cb 1.21 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 35.60 3h7s h ILE 23 CO 0.62 0.16 0.62 -0.08 -0.69 0.00 0.00 178.15 178.78 3h7s h GLU 24 N 0.50 1.12 -0.53 2.37 4.81 -1.57 0.34 114.58 121.62 3h7s h GLU 24 Ca 0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3h7s h GLU 24 Cb 0.09 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3h7s h GLU 24 CO -0.01 0.74 0.23 -0.91 -0.73 0.00 0.00 179.01 178.33 3h7s h ASN 25 N 1.15 0.71 -0.58 1.04 4.21 -1.39 -0.81 115.58 119.90 3h7s h ASN 25 Ca 0.41 -0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.76 3h7s h ASN 25 Cb 0.13 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 3h7s h ASN 25 CO -0.16 0.66 0.33 0.58 -1.29 0.00 0.00 177.43 177.55 3h7s h VAL 26 N 0.71 1.18 -0.88 2.81 2.07 -0.70 0.20 116.25 121.64 3h7s h VAL 26 Ca 0.18 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3h7s h VAL 26 Cb 0.16 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3h7s h VAL 26 CO -0.02 0.20 0.49 0.11 0.02 0.00 0.00 177.57 178.37 3h7s h LYS 27 N 0.79 1.21 -0.50 1.57 1.57 -0.76 -0.04 116.57 120.41 3h7s h LYS 27 Ca 0.21 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3h7s h LYS 27 Cb 0.02 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3h7s h LYS 27 CO -0.04 0.88 0.05 0.00 -0.57 0.00 0.00 179.45 179.77 3h7s h ALA 28 N 1.32 1.16 -0.47 3.86 0.00 -0.51 -0.89 119.26 123.72 3h7s h ALA 28 Ca 0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3h7s h ALA 28 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3h7s h ALA 28 CO -0.05 0.55 -0.07 0.87 0.00 0.00 0.00 179.25 180.56 3h7s h LYS 29 N 0.75 0.83 -0.10 0.00 1.57 -0.20 -1.74 116.57 117.68 3h7s h LYS 29 Ca 0.16 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3h7s h LYS 29 Cb 0.38 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3h7s h LYS 29 CO 0.01 0.88 -0.60 0.82 -0.57 0.00 0.00 179.45 179.99 3h7s h ILE 30 N 0.76 1.37 -0.60 1.86 2.04 -0.69 -2.16 117.51 120.09 3h7s h ILE 30 Ca 0.13 -1.93 -0.06 0.00 1.00 0.00 0.00 64.86 64.00 3h7s h ILE 30 Cb 0.55 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3h7s h ILE 30 CO 0.03 0.58 0.12 -0.61 0.00 0.00 0.00 178.15 178.27 3h7s h GLN 31 N 0.25 0.94 -0.44 2.37 4.15 -0.98 0.30 115.11 121.70 3h7s h GLN 31 Ca -0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 3h7s h GLN 31 Cb 1.11 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 3h7s h GLN 31 CO 0.10 0.86 0.23 -0.44 -1.93 0.00 0.00 178.83 177.65 3h7s h ASP 32 N 0.90 0.56 0.16 -0.69 3.32 -1.00 0.20 116.42 119.86 3h7s h ASP 32 Ca 0.19 -0.10 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 3h7s h ASP 32 Cb 0.36 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.79 3h7s h ASP 32 CO 0.00 0.50 -1.17 0.11 -1.72 0.00 0.00 179.24 176.96 3h7s h LYS 33 N 0.57 0.34 0.00 3.56 1.57 -1.17 -3.39 116.57 118.06 3h7s h LYS 33 Ca 0.15 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3h7s h LYS 33 Cb 0.07 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3h7s h LYS 33 CO -0.02 1.28 -1.33 0.39 -0.57 0.00 0.00 179.45 179.19 3h7s n GLU 34 N -3.96 1.02 -1.03 3.15 -0.58 0.10 -5.00 120.64 114.35 3h7s n GLU 34 Ca -0.18 -0.09 -0.01 0.00 -0.42 0.00 0.00 57.16 56.46 3h7s n GLU 34 Cb 0.92 -1.33 -0.00 0.00 -0.57 0.00 0.00 31.44 30.45 3h7s n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h7s n GLY 35 N 1.49 0.46 3.71 0.62 0.00 0.69 -5.00 105.19 107.17 3h7s n GLY 35 Ca -0.01 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 3h7s n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h7s s ILE 36 N -2.03 5.27 0.27 -0.61 1.01 -1.25 -4.97 121.20 118.90 3h7s s ILE 36 Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 3h7s s ILE 36 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 3h7s s ILE 36 CO 0.00 0.34 1.47 -2.84 0.00 0.00 0.00 174.94 173.91 3h7s s PRO 37 N 0.76 4.23 0.49 2.79 0.02 -1.26 -3.71 135.00 138.32 3h7s s PRO 37 Ca 0.17 2.38 0.22 0.00 0.02 0.00 0.00 61.00 63.79 3h7s s PRO 37 Cb -0.14 -3.08 1.27 0.00 0.02 0.00 0.00 34.50 32.57 3h7s s PRO 37 CO 0.05 -0.46 1.95 -1.35 -0.33 0.00 0.00 177.00 176.87 3h7s h PRO 38 N 4.75 0.16 -0.77 5.54 0.11 -1.95 0.09 132.00 139.93 3h7s h PRO 38 Ca -0.47 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.77 3h7s h PRO 38 Cb 1.22 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3h7s h PRO 38 CO 0.76 0.11 0.51 -0.44 -0.21 0.00 0.00 178.00 178.73 3h7s h ASP 39 N 0.17 0.46 0.02 -2.05 5.19 -1.98 -1.73 116.42 116.49 3h7s h ASP 39 Ca 0.32 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3h7s h ASP 39 Cb 1.02 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.46 3h7s h ASP 39 CO -0.05 0.24 -0.09 0.00 -3.12 0.00 0.00 179.24 176.22 3h7s n GLN 40 N -4.49 1.72 -3.57 3.56 6.02 0.01 -4.87 117.38 115.75 3h7s n GLN 40 Ca 0.14 -1.22 -0.37 0.00 -0.01 0.00 0.00 57.00 55.54 3h7s n GLN 40 Cb 0.49 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 3h7s n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3h7s s GLN 41 N -2.13 4.00 -0.10 -1.09 -0.21 -0.65 -0.59 119.66 118.89 3h7s s GLN 41 Ca 0.31 0.19 0.04 0.00 0.02 0.00 0.00 55.36 55.91 3h7s s GLN 41 Cb 0.20 -3.31 -0.00 0.00 1.00 0.00 0.00 33.01 30.90 3h7s s GLN 41 CO 0.38 0.48 -0.23 1.03 -2.12 0.00 0.00 175.29 174.83 3h7s s ARG 42 N -0.32 3.07 -0.09 2.91 1.81 0.16 -4.89 118.95 121.59 3h7s s ARG 42 Ca 0.19 -0.87 0.01 0.00 -1.72 0.00 0.00 55.73 53.35 3h7s s ARG 42 Cb -0.14 -2.33 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 3h7s s ARG 42 CO 0.08 0.17 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.24 3h7s s LEU 43 N 0.36 2.83 -0.01 2.53 1.43 -1.26 -0.27 118.68 124.29 3h7s s LEU 43 Ca -0.18 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3h7s s LEU 43 Cb -0.18 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 3h7s s LEU 43 CO 0.08 0.27 -0.16 -0.63 0.23 0.00 0.00 176.35 176.14 3h7s s ILE 44 N -0.24 1.27 -0.06 -0.59 1.09 -0.14 -0.36 121.20 122.18 3h7s s ILE 44 Ca 0.02 -0.69 -0.02 0.00 -1.10 0.00 0.00 60.65 58.86 3h7s s ILE 44 Cb -0.13 -1.06 0.04 0.00 -1.06 0.00 0.00 42.46 40.25 3h7s s ILE 44 CO 0.03 0.36 0.11 0.12 -0.10 0.00 0.00 174.94 175.46 3h7s s PHE 45 N -0.37 -0.09 -1.50 3.97 5.36 0.16 -0.75 117.98 124.77 3h7s s PHE 45 Ca 0.06 0.40 -0.12 0.00 -0.96 0.00 0.00 56.93 56.32 3h7s s PHE 45 Cb -0.06 -0.23 0.07 0.00 -0.34 0.00 0.00 43.02 42.46 3h7s s PHE 45 CO -0.01 -0.18 0.97 0.00 -1.46 0.00 0.00 175.22 174.54 3h7s n ALA 46 N 4.66 -1.37 -0.48 11.12 0.00 -1.26 -1.71 120.51 131.47 3h7s n ALA 46 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h7s n ALA 46 Cb 0.51 -4.29 0.00 0.00 0.00 0.00 0.00 19.45 15.66 3h7s n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7s n GLY 47 N -1.71 1.98 3.68 0.00 0.00 -1.26 -5.01 105.19 102.88 3h7s n GLY 47 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3h7s n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h7s s LYS 48 N -0.02 3.48 -0.08 1.61 2.20 -0.69 -5.07 119.74 121.15 3h7s s LYS 48 Ca 0.00 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 3h7s s LYS 48 Cb 0.00 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 33.28 3h7s s LYS 48 CO 0.00 0.52 0.95 -1.14 -0.36 0.00 0.00 175.35 175.32 3h7s s GLN 49 N -0.35 4.45 0.18 4.03 0.74 -1.26 -0.67 119.66 126.78 3h7s s GLN 49 Ca 0.08 1.30 -0.24 0.00 0.05 0.00 0.00 55.36 56.55 3h7s s GLN 49 Cb -0.12 -3.52 -0.08 0.00 1.10 0.00 0.00 33.01 30.39 3h7s s GLN 49 CO 0.02 -0.21 0.77 -0.51 -0.55 0.00 0.00 175.29 174.81 3h7s s LEU 50 N 1.65 4.54 -0.11 3.68 1.43 0.52 -4.99 118.68 125.39 3h7s s LEU 50 Ca 0.47 1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 55.04 3h7s s LEU 50 Cb -0.19 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 3h7s s LEU 50 CO 0.20 0.17 0.34 -1.61 0.23 0.00 0.00 176.35 175.67 3h7s s GLU 51 N -1.34 4.12 0.36 1.70 2.02 -1.26 -4.70 118.70 119.60 3h7s s GLU 51 Ca 0.38 0.21 0.17 0.00 0.02 0.00 0.00 54.97 55.74 3h7s s GLU 51 Cb -0.22 -3.36 1.14 0.00 0.10 0.00 0.00 34.13 31.79 3h7s s GLU 51 CO 0.25 0.38 1.66 -0.44 0.02 0.00 0.00 175.26 177.13 3h7s h ASP 52 N 6.08 0.48 0.97 -0.19 5.19 -1.97 -1.00 116.42 125.98 3h7s h ASP 52 Ca -0.45 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3h7s h ASP 52 Cb 1.19 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.83 3h7s h ASP 52 CO 0.71 -0.15 -0.24 0.61 -3.12 0.00 0.00 179.24 177.05 3h7s n GLY 53 N -1.32 -1.47 3.95 2.75 0.00 -1.26 -1.59 105.19 106.25 3h7s n GLY 53 Ca 0.32 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3h7s n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h7s s ARG 54 N -3.06 3.23 0.33 1.61 0.52 -0.38 -4.85 118.95 116.35 3h7s s ARG 54 Ca 0.11 -0.44 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 3h7s s ARG 54 Cb 0.16 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 3h7s s ARG 54 CO 0.62 -0.11 0.42 0.95 0.02 0.00 0.00 175.30 177.21 3h7s s THR 55 N -2.46 4.06 0.22 0.02 -4.23 -1.26 -1.02 115.64 110.97 3h7s s THR 55 Ca 0.45 -1.08 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 3h7s s THR 55 Cb -0.10 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.52 3h7s s THR 55 CO 0.37 -0.18 1.86 -0.07 -0.54 0.00 0.00 174.62 176.06 3h7s h LEU 56 N 0.99 0.79 -0.93 4.79 3.38 -1.09 -2.33 115.31 120.91 3h7s h LEU 56 Ca -0.46 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 3h7s h LEU 56 Cb 1.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3h7s h LEU 56 CO 0.55 0.54 -0.21 0.77 0.09 0.00 0.00 178.44 180.17 3h7s h SER 57 N 0.93 0.54 -0.96 -0.43 4.64 -1.43 0.83 113.55 117.67 3h7s h SER 57 Ca 0.32 -0.17 0.22 0.00 -0.47 0.00 0.00 61.79 61.68 3h7s h SER 57 Cb 0.05 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 61.91 3h7s h SER 57 CO -0.13 0.75 0.62 0.44 -0.87 0.00 0.00 176.83 177.65 3h7s h ASP 58 N 0.48 0.48 -0.52 4.97 3.32 -1.69 -0.72 116.42 122.73 3h7s h ASP 58 Ca 0.08 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3h7s h ASP 58 Cb 0.63 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3h7s h ASP 58 CO 0.04 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.51 3h7s n TYR 59 N -4.57 0.68 -3.42 4.55 4.01 -0.72 -4.93 117.16 112.76 3h7s n TYR 59 Ca 0.21 -0.34 -0.25 0.00 -0.16 0.00 0.00 57.90 57.37 3h7s n TYR 59 Cb 0.73 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.79 3h7s n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h7s n ASN 60 N 1.46 -5.29 -4.66 7.72 5.15 -0.28 -4.94 115.26 114.42 3h7s n ASN 60 Ca 0.21 -0.47 -0.42 0.00 -0.60 0.00 0.00 54.58 53.30 3h7s n ASN 60 Cb 0.59 -4.26 -0.04 0.00 -0.53 0.00 0.00 39.78 35.54 3h7s n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h7s s ILE 61 N -3.17 4.85 0.51 -1.44 1.01 0.21 -5.00 121.20 118.15 3h7s s ILE 61 Ca 0.46 1.66 0.05 0.00 0.00 0.00 0.00 60.65 62.83 3h7s s ILE 61 Cb -0.22 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.10 3h7s s ILE 61 CO 0.57 -0.02 0.27 -1.10 0.00 0.00 0.00 174.94 174.66 3h7s s GLN 62 N 2.44 2.25 0.00 2.79 -1.52 -1.26 -4.45 119.66 119.90 3h7s s GLN 62 Ca 0.38 -2.06 0.00 0.00 -1.95 0.00 0.00 55.36 51.73 3h7s s GLN 62 Cb -0.16 -1.95 0.00 0.00 -0.22 0.00 0.00 33.01 30.67 3h7s s GLN 62 CO 0.10 -0.46 0.28 1.17 -0.25 0.00 0.00 175.29 176.14 3h7s n LYS 63 N -1.55 0.00 0.00 2.91 4.81 -1.26 -1.23 118.16 121.84 3h7s n LYS 63 Ca -0.06 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 3h7s n LYS 63 Cb 0.65 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.18 3h7s n LYS 63 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3h7s n ARG 63 N -0.78 0.00 -1.15 1.64 0.63 -1.26 -2.00 116.66 113.73 3h7s n ARG 63 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 3h7s n ARG 63 Cb 0.02 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.91 3h7s n ARG 63 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3h7s n GLU 64 N 0.00 -1.24 -1.18 -0.14 1.02 0.29 -4.99 120.64 114.40 3h7s n GLU 64 Ca 0.00 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.40 3h7s n GLU 64 Cb 0.00 -4.64 0.11 0.00 -0.02 0.00 0.00 31.44 26.89 3h7s n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3h7s s SER 65 N -2.31 3.98 -0.13 1.62 0.01 -0.36 -4.70 113.70 111.81 3h7s s SER 65 Ca 0.00 2.09 0.02 0.00 1.31 0.00 0.00 55.95 59.37 3h7s s SER 65 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3h7s s SER 65 CO 0.00 -2.39 -0.20 -0.89 0.41 0.00 0.00 173.24 170.17 3h7s s THR 66 N -2.54 2.37 0.11 1.44 2.01 -1.26 -1.15 115.64 116.62 3h7s s THR 66 Ca 0.67 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.82 3h7s s THR 66 Cb -0.22 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3h7s s THR 66 CO 0.52 0.54 0.08 -0.76 -0.69 0.00 0.00 174.62 174.32 3h7s s LEU 67 N 0.60 3.73 -0.15 4.42 1.02 0.13 -4.75 118.68 123.68 3h7s s LEU 67 Ca -0.11 -0.09 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 3h7s s LEU 67 Cb -0.16 -2.40 -0.03 0.00 0.02 0.00 0.00 46.19 43.63 3h7s s LEU 67 CO 0.03 0.14 -0.05 -1.00 0.02 0.00 0.00 176.35 175.48 3h7s s HIS 68 N -1.51 2.99 -0.35 0.29 3.76 0.08 -0.33 115.29 120.21 3h7s s HIS 68 Ca 0.29 -0.36 -0.15 0.00 -0.15 0.00 0.00 55.06 54.70 3h7s s HIS 68 Cb -0.11 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 3h7s s HIS 68 CO 0.22 -0.07 0.34 -1.17 -0.85 0.00 0.00 174.74 173.21 3h7s s LEU 69 N 0.37 4.55 -0.12 0.89 2.96 0.59 -0.96 118.68 126.96 3h7s s LEU 69 Ca -0.05 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3h7s s LEU 69 Cb -0.14 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 3h7s s LEU 69 CO 0.03 -0.35 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.02 3h7s s VAL 70 N 1.93 4.16 -0.13 1.68 1.01 0.62 -3.72 120.40 125.96 3h7s s VAL 70 Ca 0.10 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3h7s s VAL 70 Cb -0.17 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3h7s s VAL 70 CO 0.11 0.55 0.20 -0.76 0.00 0.00 0.00 175.10 175.21 3h7s s LEU 71 N -0.35 4.34 -0.44 3.92 1.43 -1.26 0.36 118.68 126.68 3h7s s LEU 71 Ca 0.06 0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 3h7s s LEU 71 Cb -0.12 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3h7s s LEU 71 CO 0.02 0.30 1.28 -0.60 0.23 0.00 0.00 176.35 177.58 3h7s s ARG 72 N -0.49 3.65 -0.18 1.70 3.52 0.24 -4.95 118.95 122.45 3h7s s ARG 72 Ca 0.15 0.76 -0.38 0.00 -0.13 0.00 0.00 55.73 56.13 3h7s s ARG 72 Cb -0.13 -3.97 -0.18 0.00 -1.56 0.00 0.00 34.95 29.12 3h7s s ARG 72 CO 0.04 -1.47 1.14 1.28 -0.81 0.00 0.00 175.30 175.48 3h7s n LEU 73 N 8.34 0.44 -4.64 -0.88 4.77 -1.26 -4.77 117.00 118.99 3h7s n LEU 73 Ca 0.14 1.04 -0.43 0.00 -0.03 0.00 0.00 56.01 56.73 3h7s n LEU 73 Cb 0.48 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3h7s n LEU 73 CO 0.71 -1.30 1.68 0.54 -1.33 0.00 0.00 177.39 177.69 3h7s n ARG 74 N 2.24 2.55 0.00 3.23 1.74 -1.26 -5.14 116.66 120.02 3h7s n ARG 74 Ca 0.22 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.18 3h7s n ARG 74 Cb 0.02 -3.06 0.00 0.00 -1.02 0.00 0.00 32.46 28.40 3h7s n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52