#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhs s GLN 2 N 0.00 4.15 0.37 3.17 -0.21 -1.26 -0.27 119.66 125.62 3mhs s GLN 2 Ca 0.00 0.17 0.04 0.00 0.02 0.00 0.00 55.36 55.60 3mhs s GLN 2 Cb 0.00 -3.38 -0.06 0.00 1.00 0.00 0.00 33.01 30.58 3mhs s GLN 2 CO 0.00 0.34 0.05 0.96 -2.12 0.00 0.00 175.29 174.52 3mhs s ILE 3 N 0.12 1.29 0.20 1.08 -4.36 -0.33 -0.01 121.20 119.19 3mhs s ILE 3 Ca 0.19 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.69 3mhs s ILE 3 Cb -0.14 -2.72 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 3mhs s ILE 3 CO 0.06 0.00 -0.22 -0.36 0.24 0.00 0.00 174.94 174.66 3mhs s PHE 4 N -3.11 2.19 -0.08 1.37 0.08 -0.50 -0.26 117.98 117.68 3mhs s PHE 4 Ca 0.31 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 3mhs s PHE 4 Cb 0.07 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 3mhs s PHE 4 CO 0.15 0.48 -0.03 0.08 -0.10 0.00 0.00 175.22 175.80 3mhs s VAL 5 N -1.83 0.63 -0.47 -0.44 1.01 -0.11 -0.69 120.40 118.50 3mhs s VAL 5 Ca 0.20 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 3mhs s VAL 5 Cb -0.07 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.62 3mhs s VAL 5 CO 0.10 0.30 0.81 -0.75 0.00 0.00 0.00 175.10 175.56 3mhs s LYS 6 N 1.73 3.38 0.66 2.72 2.20 0.18 -0.83 119.74 129.79 3mhs s LYS 6 Ca 0.03 -0.16 -0.11 0.00 -0.36 0.00 0.00 55.97 55.37 3mhs s LYS 6 Cb -0.13 -3.97 0.15 0.00 -1.51 0.00 0.00 37.83 32.38 3mhs s LYS 6 CO -0.05 -1.20 0.84 0.25 -0.36 0.00 0.00 175.35 174.82 3mhs n THR 7 N 6.14 0.00 -0.30 3.43 -2.24 -0.11 -1.66 114.28 119.55 3mhs n THR 7 Ca 0.02 -0.58 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 3mhs n THR 7 Cb 0.48 -1.59 0.22 0.00 -2.10 0.00 0.00 70.33 67.33 3mhs n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3mhs h LEU 8 N 0.00 0.95 -0.02 3.22 3.38 -1.86 -0.76 115.31 120.20 3mhs h LEU 8 Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3mhs h LEU 8 Cb 0.78 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3mhs h LEU 8 CO 0.19 0.64 0.00 0.35 0.09 0.00 0.00 178.44 179.71 3mhs n THR 9 N -4.45 0.27 0.00 0.22 -2.24 -1.26 -4.89 114.28 101.92 3mhs n THR 9 Ca 0.12 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3mhs n THR 9 Cb 0.13 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 3mhs n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mhs n GLY 10 N 1.18 1.70 3.74 3.38 0.00 -0.29 -5.06 105.19 109.84 3mhs n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3mhs n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mhs s LYS 11 N -0.91 4.17 -0.16 1.61 2.20 -1.26 -4.54 119.74 120.85 3mhs s LYS 11 Ca 0.00 2.49 -0.09 0.00 -0.36 0.00 0.00 55.97 58.01 3mhs s LYS 11 Cb 0.00 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 3mhs s LYS 11 CO 0.00 -0.59 0.16 0.99 -0.36 0.00 0.00 175.35 175.54 3mhs s THR 12 N 0.29 5.43 0.32 3.43 2.01 -1.26 -0.93 115.64 124.92 3mhs s THR 12 Ca 0.65 0.25 0.10 0.00 0.31 0.00 0.00 61.69 62.99 3mhs s THR 12 Cb -0.46 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3mhs s THR 12 CO 0.43 0.52 -0.03 0.27 -0.69 0.00 0.00 174.62 175.12 3mhs s ILE 13 N -0.26 2.76 -0.07 1.82 -4.36 -0.01 -4.95 121.20 116.13 3mhs s ILE 13 Ca 0.12 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 3mhs s ILE 13 Cb -0.12 -2.73 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 3mhs s ILE 13 CO 0.02 -0.27 -0.12 -0.89 0.24 0.00 0.00 174.94 173.92 3mhs s THR 14 N -2.48 3.28 0.08 8.37 2.01 -1.26 -0.93 115.64 124.70 3mhs s THR 14 Ca 0.33 -0.63 0.09 0.00 0.31 0.00 0.00 61.69 61.79 3mhs s THR 14 Cb -0.02 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3mhs s THR 14 CO 0.19 0.58 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.72 3mhs s LEU 15 N -0.54 2.48 -0.30 4.42 1.43 0.65 -4.98 118.68 121.83 3mhs s LEU 15 Ca 0.08 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 3mhs s LEU 15 Cb -0.12 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3mhs s LEU 15 CO 0.02 0.22 0.27 -0.70 0.23 0.00 0.00 176.35 176.39 3mhs s GLU 16 N -1.67 3.80 0.07 1.70 2.56 -1.26 -1.19 118.70 122.72 3mhs s GLU 16 Ca 0.15 -0.33 -0.03 0.00 0.00 0.00 0.00 54.97 54.76 3mhs s GLU 16 Cb -0.10 -3.72 -0.03 0.00 2.00 0.00 0.00 34.13 32.28 3mhs s GLU 16 CO 0.06 -0.32 0.04 0.14 -0.56 0.00 0.00 175.26 174.62 3mhs s VAL 17 N 1.87 0.18 0.12 3.70 -7.23 0.63 -4.92 120.40 114.75 3mhs s VAL 17 Ca 0.09 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3mhs s VAL 17 Cb -0.16 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3mhs s VAL 17 CO 0.11 -0.82 0.18 -1.61 -0.31 0.00 0.00 175.10 172.65 3mhs s GLU 18 N -3.93 3.18 0.53 4.82 0.41 -1.26 0.02 118.70 122.47 3mhs s GLU 18 Ca 0.09 -0.65 0.26 0.00 -0.41 0.00 0.00 54.97 54.27 3mhs s GLU 18 Cb 0.07 -2.85 1.40 0.00 -1.78 0.00 0.00 34.13 30.97 3mhs s GLU 18 CO -0.08 0.54 1.96 -1.35 -0.49 0.00 0.00 175.26 175.85 3mhs h PRO 19 N 2.69 0.02 -0.00 0.39 0.11 -1.97 0.25 132.00 133.49 3mhs h PRO 19 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mhs h PRO 19 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mhs h PRO 19 CO 0.68 0.02 -0.16 -1.13 -0.21 0.00 0.00 178.00 177.20 3mhs n SER 20 N -4.36 0.43 -4.77 -2.05 3.41 -1.26 -0.39 113.62 104.64 3mhs n SER 20 Ca 0.12 -0.38 -0.40 0.00 -0.26 0.00 0.00 58.87 57.95 3mhs n SER 20 Cb 0.69 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3mhs n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3mhs s ASP 21 N -2.63 6.32 0.52 4.04 1.01 0.07 -4.70 116.67 121.30 3mhs s ASP 21 Ca 0.24 2.89 -0.09 0.00 0.71 0.00 0.00 52.55 56.30 3mhs s ASP 21 Cb 0.19 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 3mhs s ASP 21 CO 0.52 -0.87 0.88 0.42 0.21 0.00 0.00 175.17 176.33 3mhs s THR 22 N -1.16 4.79 0.37 -1.27 -4.23 -1.26 -1.23 115.64 111.64 3mhs s THR 22 Ca 0.54 0.57 0.04 0.00 -1.18 0.00 0.00 61.69 61.66 3mhs s THR 22 Cb -0.43 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 69.84 3mhs s THR 22 CO 0.57 -0.88 2.02 0.40 -0.54 0.00 0.00 174.62 176.19 3mhs h ILE 23 N 0.25 1.13 -0.74 2.99 1.08 -1.34 -1.51 117.51 119.37 3mhs h ILE 23 Ca -0.46 -0.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 3mhs h ILE 23 Cb 1.20 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.18 3mhs h ILE 23 CO 0.62 0.14 0.44 -0.33 -0.69 0.00 0.00 178.15 178.33 3mhs h GLU 24 N 0.77 0.80 -0.57 2.37 3.07 -1.88 0.53 114.58 119.67 3mhs h GLU 24 Ca 0.22 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 3mhs h GLU 24 Cb -0.05 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.66 3mhs h GLU 24 CO -0.05 0.53 0.08 -0.97 -1.40 0.00 0.00 179.01 177.20 3mhs h ASN 25 N 0.82 0.92 -0.39 1.42 -0.00 -1.68 -1.55 115.58 115.12 3mhs h ASN 25 Ca 0.32 -0.27 -0.02 0.00 -0.00 0.00 0.00 56.30 56.33 3mhs h ASN 25 Cb 0.14 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.20 3mhs h ASN 25 CO -0.16 0.95 0.16 0.58 -0.00 0.00 0.00 177.43 178.96 3mhs h VAL 26 N 0.85 1.19 -0.55 2.57 2.07 -0.80 -1.75 116.25 119.83 3mhs h VAL 26 Ca 0.17 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3mhs h VAL 26 Cb 0.43 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3mhs h VAL 26 CO 0.01 0.21 0.16 0.11 0.02 0.00 0.00 177.57 178.09 3mhs h LYS 27 N 0.49 0.82 -0.97 1.57 1.57 -0.85 -1.64 116.57 117.56 3mhs h LYS 27 Ca 0.13 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3mhs h LYS 27 Cb 0.18 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3mhs h LYS 27 CO -0.01 0.72 0.64 0.00 -0.57 0.00 0.00 179.45 180.23 3mhs h ALA 28 N 1.38 1.23 -0.30 3.86 0.00 -0.91 -0.35 119.26 124.18 3mhs h ALA 28 Ca 0.18 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3mhs h ALA 28 Cb 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mhs h ALA 28 CO -0.01 0.63 -0.22 0.87 0.00 0.00 0.00 179.25 180.52 3mhs h LYS 29 N 1.32 0.56 -0.32 0.00 1.57 -0.54 -1.85 116.57 117.30 3mhs h LYS 29 Ca 0.36 -0.20 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 3mhs h LYS 29 Cb -0.15 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 3mhs h LYS 29 CO -0.08 0.74 -0.48 0.82 -0.57 0.00 0.00 179.45 179.89 3mhs h ILE 30 N 0.50 1.28 -0.81 1.86 2.04 -0.98 -2.81 117.51 118.58 3mhs h ILE 30 Ca 0.08 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 3mhs h ILE 30 Cb 0.65 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3mhs h ILE 30 CO 0.05 0.54 0.48 -0.61 0.00 0.00 0.00 178.15 178.61 3mhs h GLN 31 N 0.68 1.11 0.00 2.37 4.15 -0.84 0.36 115.11 122.94 3mhs h GLN 31 Ca 0.03 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 3mhs h GLN 31 Cb 1.07 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 3mhs h GLN 31 CO 0.11 0.79 -0.14 0.22 -1.93 0.00 0.00 178.83 177.87 3mhs h ASP 32 N 1.12 0.00 0.08 -0.69 -0.00 -1.14 0.11 116.42 115.90 3mhs h ASP 32 Ca 0.29 0.00 -0.34 0.00 -0.00 0.00 0.00 57.03 56.98 3mhs h ASP 32 Cb -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.27 3mhs h ASP 32 CO -0.05 0.14 -1.93 0.29 -0.00 0.00 0.00 179.24 177.69 3mhs n LYS 33 N -3.51 0.70 -0.01 0.28 5.02 -0.81 -4.62 118.16 115.22 3mhs n LYS 33 Ca -0.01 0.32 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 3mhs n LYS 33 Cb 0.29 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 3mhs n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3mhs n GLU 34 N -3.71 0.64 -1.17 1.97 -0.58 0.12 -5.01 120.64 112.90 3mhs n GLU 34 Ca -0.35 -0.14 -0.02 0.00 -0.42 0.00 0.00 57.16 56.22 3mhs n GLU 34 Cb 0.95 -1.42 -0.01 0.00 -0.57 0.00 0.00 31.44 30.39 3mhs n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mhs n GLY 35 N 1.45 0.52 3.60 0.62 0.00 0.39 -5.01 105.19 106.76 3mhs n GLY 35 Ca -0.02 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 3mhs n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mhs s ILE 36 N -2.08 4.69 0.61 -0.61 1.01 -1.26 -5.03 121.20 118.53 3mhs s ILE 36 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 3mhs s ILE 36 Cb 0.00 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3mhs s ILE 36 CO 0.00 0.44 1.21 -2.84 0.00 0.00 0.00 174.94 173.75 3mhs s PRO 37 N 0.55 2.84 0.41 2.79 0.02 -1.26 -4.18 135.00 136.18 3mhs s PRO 37 Ca 0.03 1.82 0.12 0.00 0.02 0.00 0.00 61.00 62.99 3mhs s PRO 37 Cb -0.13 -1.91 0.95 0.00 0.02 0.00 0.00 34.50 33.43 3mhs s PRO 37 CO 0.01 -1.31 1.96 -1.35 -0.33 0.00 0.00 177.00 175.99 3mhs h PRO 38 N 0.70 0.49 0.00 5.54 0.11 -1.96 -0.92 132.00 135.96 3mhs h PRO 38 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3mhs h PRO 38 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mhs h PRO 38 CO 0.54 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3mhs n ASP 39 N -4.48 0.69 0.02 -2.05 5.68 -1.26 -1.77 116.55 113.38 3mhs n ASP 39 Ca 0.11 0.67 0.11 0.00 -0.50 0.00 0.00 54.79 55.18 3mhs n ASP 39 Cb 0.35 -0.82 -0.06 0.00 -1.14 0.00 0.00 41.12 39.45 3mhs n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mhs n GLN 40 N -2.26 0.36 -2.83 0.11 6.02 -0.37 -4.95 117.38 113.46 3mhs n GLN 40 Ca 0.02 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 3mhs n GLN 40 Cb 0.23 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 3mhs n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mhs s GLN 41 N -3.26 4.60 -0.18 -1.09 -0.21 -0.73 -4.41 119.66 114.37 3mhs s GLN 41 Ca 0.01 1.28 -0.00 0.00 0.02 0.00 0.00 55.36 56.67 3mhs s GLN 41 Cb 0.14 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.77 3mhs s GLN 41 CO 0.84 0.19 -0.15 1.03 -2.12 0.00 0.00 175.29 175.09 3mhs s ARG 42 N 0.16 3.17 -0.24 2.91 0.52 0.15 -5.01 118.95 120.61 3mhs s ARG 42 Ca 0.44 -0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 3mhs s ARG 42 Cb -0.22 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 3mhs s ARG 42 CO 0.27 -0.10 0.03 -0.51 0.02 0.00 0.00 175.30 175.01 3mhs s LEU 43 N 1.11 3.28 -0.10 2.53 1.02 -1.26 -0.58 118.68 124.67 3mhs s LEU 43 Ca 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 53.91 3mhs s LEU 43 Cb -0.14 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 3mhs s LEU 43 CO -0.05 -0.02 -0.12 -0.63 0.02 0.00 0.00 176.35 175.55 3mhs s ILE 44 N 1.50 3.22 -0.04 -0.59 -1.09 0.18 -0.61 121.20 123.78 3mhs s ILE 44 Ca 0.06 -0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 57.83 3mhs s ILE 44 Cb -0.15 -2.33 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 3mhs s ILE 44 CO 0.02 0.55 0.08 0.12 -1.23 0.00 0.00 174.94 174.48 3mhs s PHE 45 N -0.09 -0.08 -1.31 3.97 5.36 -0.48 -0.86 117.98 124.49 3mhs s PHE 45 Ca -0.01 0.26 -0.08 0.00 -0.96 0.00 0.00 56.93 56.14 3mhs s PHE 45 Cb -0.14 -0.06 0.06 0.00 -0.34 0.00 0.00 43.02 42.54 3mhs s PHE 45 CO 0.03 -0.08 0.48 0.00 -1.46 0.00 0.00 175.22 174.19 3mhs n ALA 46 N 3.59 -1.03 -0.57 11.12 0.00 -1.26 -1.38 120.51 130.98 3mhs n ALA 46 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3mhs n ALA 46 Cb 0.55 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.12 3mhs n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhs n GLY 47 N -1.21 0.76 3.34 0.00 0.00 -1.26 -5.03 105.19 101.79 3mhs n GLY 47 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3mhs n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mhs s LYS 48 N -0.43 1.65 0.08 1.61 1.02 -0.48 -5.12 119.74 118.06 3mhs s LYS 48 Ca 0.00 -1.15 -0.27 0.00 0.02 0.00 0.00 55.97 54.57 3mhs s LYS 48 Cb 0.00 -1.89 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 3mhs s LYS 48 CO 0.00 0.48 0.85 -1.14 -0.92 0.00 0.00 175.35 174.62 3mhs s GLN 49 N -1.43 4.59 0.05 1.68 0.74 -1.26 -1.38 119.66 122.64 3mhs s GLN 49 Ca 0.12 1.23 -0.28 0.00 0.05 0.00 0.00 55.36 56.47 3mhs s GLN 49 Cb -0.10 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 3mhs s GLN 49 CO 0.03 0.26 0.90 -0.51 -0.55 0.00 0.00 175.29 175.43 3mhs s LEU 50 N -0.07 4.44 -0.11 3.68 1.43 0.23 -4.98 118.68 123.30 3mhs s LEU 50 Ca 0.42 1.64 -0.03 0.00 -1.03 0.00 0.00 54.13 55.13 3mhs s LEU 50 Cb -0.22 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 3mhs s LEU 50 CO 0.26 -0.11 -0.01 -1.61 0.23 0.00 0.00 176.35 175.12 3mhs s GLU 51 N 0.33 3.20 0.46 1.70 0.41 -1.26 -4.75 118.70 118.79 3mhs s GLU 51 Ca 0.46 -0.44 -0.23 0.00 -0.41 0.00 0.00 54.97 54.35 3mhs s GLU 51 Cb -0.22 -2.84 -0.09 0.00 -1.78 0.00 0.00 34.13 29.20 3mhs s GLU 51 CO 0.27 0.56 1.05 -0.25 -0.49 0.00 0.00 175.26 176.41 3mhs n ASP 52 N 2.57 1.43 0.00 -0.19 9.92 -1.26 -2.46 116.55 126.56 3mhs n ASP 52 Ca -0.18 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.08 3mhs n ASP 52 Cb 0.53 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 3mhs n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mhs n GLY 53 N 1.13 2.24 3.97 0.44 0.00 -1.26 -5.00 105.19 106.71 3mhs n GLY 53 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3mhs n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mhs s ARG 54 N -0.46 3.23 0.33 1.61 0.52 -1.03 -4.93 118.95 118.21 3mhs s ARG 54 Ca 0.00 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3mhs s ARG 54 Cb 0.00 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 3mhs s ARG 54 CO 0.00 0.10 0.32 0.95 0.02 0.00 0.00 175.30 176.69 3mhs s THR 55 N -2.21 3.75 0.20 0.02 -4.23 -1.26 -1.05 115.64 110.85 3mhs s THR 55 Ca 0.42 -1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 59.52 3mhs s THR 55 Cb -0.09 -3.26 0.11 0.00 1.34 0.00 0.00 72.50 70.60 3mhs s THR 55 CO 0.32 -0.19 1.81 -0.07 -0.54 0.00 0.00 174.62 175.95 3mhs h LEU 56 N 1.20 0.51 -1.86 4.79 3.38 -1.08 -2.09 115.31 120.17 3mhs h LEU 56 Ca -0.45 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.57 3mhs h LEU 56 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3mhs h LEU 56 CO 0.58 0.34 0.16 0.77 0.09 0.00 0.00 178.44 180.38 3mhs h SER 57 N 0.64 0.16 -0.06 -0.43 4.64 -0.95 -1.45 113.55 116.10 3mhs h SER 57 Ca 0.26 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3mhs h SER 57 Cb 0.13 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3mhs h SER 57 CO -0.15 0.11 0.08 0.44 -0.87 0.00 0.00 176.83 176.44 3mhs h ASP 58 N 0.19 0.00 -0.44 4.97 3.32 -1.65 -1.83 116.42 120.97 3mhs h ASP 58 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3mhs h ASP 58 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3mhs h ASP 58 CO -0.02 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.28 3mhs n TYR 59 N -3.67 0.59 -2.95 4.55 4.01 -0.58 -4.97 117.16 114.14 3mhs n TYR 59 Ca -0.02 -0.48 -0.22 0.00 -0.16 0.00 0.00 57.90 57.02 3mhs n TYR 59 Cb 0.17 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 3mhs n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mhs n ASN 60 N 0.82 -6.16 -4.66 7.72 4.05 -0.69 -4.94 115.26 111.41 3mhs n ASN 60 Ca 0.15 -0.26 -0.42 0.00 0.45 0.00 0.00 54.58 54.50 3mhs n ASN 60 Cb 0.48 -4.99 -0.03 0.00 1.23 0.00 0.00 39.78 36.47 3mhs n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3mhs s ILE 61 N -3.17 4.79 0.54 -1.44 1.01 -1.02 -5.02 121.20 116.89 3mhs s ILE 61 Ca 0.27 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.73 3mhs s ILE 61 Cb -0.12 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.16 3mhs s ILE 61 CO 0.34 -0.07 0.16 -1.10 0.00 0.00 0.00 174.94 174.26 3mhs s GLN 62 N 2.69 2.23 0.03 2.79 -1.52 -1.26 -4.54 119.66 120.08 3mhs s GLN 62 Ca 0.40 -2.31 -0.36 0.00 -1.95 0.00 0.00 55.36 51.15 3mhs s GLN 62 Cb -0.16 -1.73 -0.15 0.00 -0.22 0.00 0.00 33.01 30.76 3mhs s GLN 62 CO 0.09 -0.51 1.55 1.17 -0.25 0.00 0.00 175.29 177.35 3mhs n LYS 63 N -1.50 1.59 -0.96 2.91 4.81 -1.26 -1.58 118.16 122.17 3mhs n LYS 63 Ca -0.14 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3mhs n LYS 63 Cb 0.66 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3mhs n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3mhs n GLU 64 N 3.81 -0.83 -1.25 1.64 1.02 0.98 -4.99 120.64 121.01 3mhs n GLU 64 Ca 0.20 0.21 -0.34 0.00 -0.02 0.00 0.00 57.16 57.20 3mhs n GLU 64 Cb 0.22 -3.90 0.11 0.00 -0.02 0.00 0.00 31.44 27.86 3mhs n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3mhs s SER 65 N -2.07 3.81 -0.14 1.62 0.01 -0.62 -4.75 113.70 111.56 3mhs s SER 65 Ca 0.00 2.42 0.02 0.00 1.31 0.00 0.00 55.95 59.69 3mhs s SER 65 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3mhs s SER 65 CO 0.00 -2.52 -0.19 -0.89 0.41 0.00 0.00 173.24 170.04 3mhs s THR 66 N -2.00 2.35 0.17 1.44 2.01 -1.26 -1.41 115.64 116.94 3mhs s THR 66 Ca 0.75 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 3mhs s THR 66 Cb -0.30 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 3mhs s THR 66 CO 0.48 0.54 0.42 -0.76 -0.69 0.00 0.00 174.62 174.61 3mhs s LEU 67 N 0.72 4.24 -0.19 4.42 1.43 0.13 -4.88 118.68 124.56 3mhs s LEU 67 Ca -0.08 0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3mhs s LEU 67 Cb -0.16 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3mhs s LEU 67 CO 0.01 0.02 -0.11 -1.00 0.23 0.00 0.00 176.35 175.49 3mhs s HIS 68 N -1.70 2.87 -0.20 0.29 3.76 -0.04 -0.64 115.29 119.63 3mhs s HIS 68 Ca 0.43 -1.15 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 3mhs s HIS 68 Cb -0.12 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 3mhs s HIS 68 CO 0.24 -0.59 0.17 -1.17 -0.85 0.00 0.00 174.74 172.54 3mhs s LEU 69 N 1.25 4.21 0.27 0.89 2.96 -0.67 -0.64 118.68 126.95 3mhs s LEU 69 Ca 0.03 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3mhs s LEU 69 Cb -0.14 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3mhs s LEU 69 CO -0.05 0.15 0.11 0.68 -1.32 0.00 0.00 176.35 175.92 3mhs s VAL 70 N 0.47 0.47 0.00 1.68 -7.23 0.25 -4.27 120.40 111.76 3mhs s VAL 70 Ca 0.10 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3mhs s VAL 70 Cb -0.12 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.23 3mhs s VAL 70 CO 0.00 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 174.97 3mhs n LEU 71 N -0.49 0.00 -4.49 1.32 4.77 -1.26 -0.68 117.00 116.17 3mhs n LEU 71 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3mhs n LEU 71 Cb 0.66 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.62 3mhs n LEU 71 CO 0.37 -0.26 -0.42 -0.13 -1.33 0.00 0.00 177.39 175.62 3mhs s ARG 72 N -1.95 2.84 -0.46 3.23 0.52 -1.26 -4.81 118.95 117.06 3mhs s ARG 72 Ca 0.00 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 3mhs s ARG 72 Cb 0.00 -2.54 0.12 0.00 0.52 0.00 0.00 34.95 33.05 3mhs s ARG 72 CO 0.00 0.53 0.31 -1.17 0.02 0.00 0.00 175.30 175.00 3mhs s LEU 73 N -0.47 5.60 0.14 2.53 2.96 -1.26 -5.09 118.68 123.09 3mhs s LEU 73 Ca 0.06 -1.93 -0.29 0.00 -0.22 0.00 0.00 54.13 51.75 3mhs s LEU 73 Cb -0.12 -1.97 -0.07 0.00 0.50 0.00 0.00 46.19 44.53 3mhs s LEU 73 CO 0.02 -0.66 0.93 -0.13 -1.32 0.00 0.00 176.35 175.19 3mhs s ARG 74 N 1.32 4.72 0.00 1.98 0.52 -1.26 -5.34 118.95 120.88 3mhs s ARG 74 Ca 0.06 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 3mhs s ARG 74 Cb -0.25 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 31.87 3mhs s ARG 74 CO -0.01 0.32 0.00 0.41 0.02 0.00 0.00 175.30 176.04