#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a9k s GLN 2 N 0.00 3.55 0.30 3.17 -0.21 -1.26 -0.77 119.66 124.44 3a9k s GLN 2 Ca 0.00 -0.22 0.05 0.00 0.02 0.00 0.00 55.36 55.21 3a9k s GLN 2 Cb 0.00 -3.16 -0.06 0.00 1.00 0.00 0.00 33.01 30.79 3a9k s GLN 2 CO 0.00 0.62 -0.00 0.96 -2.12 0.00 0.00 175.29 174.75 3a9k s ILE 3 N -0.59 1.46 0.02 1.08 -4.36 -0.58 -0.42 121.20 117.80 3a9k s ILE 3 Ca 0.12 -2.06 0.08 0.00 -0.26 0.00 0.00 60.65 58.53 3a9k s ILE 3 Cb -0.12 -2.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.95 3a9k s ILE 3 CO 0.02 -0.17 -0.25 -0.36 0.24 0.00 0.00 174.94 174.43 3a9k s PHE 4 N -3.13 2.20 -0.16 1.37 0.40 0.01 -0.51 117.98 118.17 3a9k s PHE 4 Ca 0.32 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3a9k s PHE 4 Cb 0.06 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.26 3a9k s PHE 4 CO 0.13 0.06 -0.14 0.08 0.70 0.00 0.00 175.22 176.05 3a9k s VAL 5 N -0.71 1.63 -0.20 -0.44 1.01 0.64 0.05 120.40 122.37 3a9k s VAL 5 Ca 0.10 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3a9k s VAL 5 Cb -0.10 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3a9k s VAL 5 CO 0.01 0.39 0.12 -0.54 0.00 0.00 0.00 175.10 175.08 3a9k s LYS 6 N 1.45 4.14 0.73 2.72 1.02 -0.09 -0.47 119.74 129.24 3a9k s LYS 6 Ca 0.03 -0.24 -0.12 0.00 0.02 0.00 0.00 55.97 55.66 3a9k s LYS 6 Cb -0.14 -3.40 0.03 0.00 -0.52 0.00 0.00 37.83 33.80 3a9k s LYS 6 CO -0.10 0.27 1.11 0.95 -0.92 0.00 0.00 175.35 176.66 3a9k s THR 7 N 0.43 3.21 -0.94 2.17 -4.23 -0.08 -0.75 115.64 115.46 3a9k s THR 7 Ca 0.07 0.39 0.17 0.00 -1.18 0.00 0.00 61.69 61.14 3a9k s THR 7 Cb -0.11 -3.38 0.15 0.00 1.34 0.00 0.00 72.50 70.49 3a9k s THR 7 CO -0.01 -0.51 1.53 0.18 -0.54 0.00 0.00 174.62 175.27 3a9k n LEU 8 N -3.08 0.09 -1.16 4.79 4.77 -1.25 -1.71 117.00 119.45 3a9k n LEU 8 Ca 0.07 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 3a9k n LEU 8 Cb 0.58 -0.51 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 3a9k n LEU 8 CO 0.57 -0.27 0.73 0.35 -1.33 0.00 0.00 177.39 177.44 3a9k n THR 9 N -1.60 0.63 -0.79 -5.08 -2.24 -1.26 -4.96 114.28 98.98 3a9k n THR 9 Ca 0.04 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3a9k n THR 9 Cb 0.19 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3a9k n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a9k n GLY 10 N 1.52 0.55 3.82 3.38 0.00 -0.69 -5.05 105.19 108.71 3a9k n GLY 10 Ca 0.20 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3a9k n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a9k s LYS 11 N -1.01 4.18 -0.18 1.61 2.20 -1.26 -4.88 119.74 120.39 3a9k s LYS 11 Ca 0.00 0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 56.32 3a9k s LYS 11 Cb 0.00 -2.97 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3a9k s LYS 11 CO 0.00 0.47 -0.03 0.99 -0.36 0.00 0.00 175.35 176.42 3a9k s THR 12 N -1.42 3.76 -0.19 3.43 2.01 -1.26 -0.90 115.64 121.08 3a9k s THR 12 Ca 0.39 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 3a9k s THR 12 Cb -0.17 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3a9k s THR 12 CO 0.20 0.46 0.14 -0.63 -0.69 0.00 0.00 174.62 174.10 3a9k s ILE 13 N 0.77 5.42 -0.17 1.82 1.01 0.38 -4.93 121.20 125.50 3a9k s ILE 13 Ca -0.01 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.77 3a9k s ILE 13 Cb -0.14 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3a9k s ILE 13 CO 0.02 0.46 0.08 -0.89 0.00 0.00 0.00 174.94 174.61 3a9k s THR 14 N 0.17 4.93 0.04 2.92 2.01 -1.26 -0.26 115.64 124.19 3a9k s THR 14 Ca 0.09 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.17 3a9k s THR 14 Cb -0.11 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3a9k s THR 14 CO -0.01 0.49 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.45 3a9k s LEU 15 N 0.04 2.16 -0.29 4.42 1.43 0.34 -5.00 118.68 121.78 3a9k s LEU 15 Ca 0.06 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 3a9k s LEU 15 Cb -0.12 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 3a9k s LEU 15 CO 0.01 0.16 0.31 -1.61 0.23 0.00 0.00 176.35 175.44 3a9k s GLU 16 N -1.11 3.90 0.23 1.70 0.41 -1.26 -1.52 118.70 121.04 3a9k s GLU 16 Ca 0.07 -0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 3a9k s GLU 16 Cb -0.09 -3.69 -0.04 0.00 -1.78 0.00 0.00 34.13 28.53 3a9k s GLU 16 CO 0.02 -0.30 0.14 0.14 -0.49 0.00 0.00 175.26 174.76 3a9k s VAL 17 N 1.96 0.15 0.13 2.63 -7.23 0.05 -4.94 120.40 113.15 3a9k s VAL 17 Ca 0.12 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 3a9k s VAL 17 Cb -0.16 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3a9k s VAL 17 CO 0.11 0.00 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.09 3a9k s GLU 18 N -4.05 1.21 0.52 4.82 0.41 -1.26 -0.22 118.70 120.13 3a9k s GLU 18 Ca 0.39 -1.29 0.33 0.00 -0.41 0.00 0.00 54.97 53.99 3a9k s GLU 18 Cb 0.07 -1.38 1.47 0.00 -1.78 0.00 0.00 34.13 32.51 3a9k s GLU 18 CO 0.14 0.30 1.82 -1.35 -0.49 0.00 0.00 175.26 175.68 3a9k h PRO 19 N 3.67 0.06 -0.00 0.39 0.11 -1.97 -0.15 132.00 134.11 3a9k h PRO 19 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3a9k h PRO 19 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3a9k h PRO 19 CO 0.45 0.04 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.09 3a9k n SER 20 N -4.26 0.19 -4.76 -2.05 3.41 -1.26 -0.84 113.62 104.04 3a9k n SER 20 Ca 0.24 -0.32 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 3a9k n SER 20 Cb 1.13 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 3a9k n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3a9k s ASP 21 N -2.54 6.58 0.73 4.04 1.01 -0.07 -4.82 116.67 121.60 3a9k s ASP 21 Ca 0.28 2.81 -0.11 0.00 0.71 0.00 0.00 52.55 56.24 3a9k s ASP 21 Cb 0.20 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.51 3a9k s ASP 21 CO 0.47 -0.71 1.09 0.42 0.21 0.00 0.00 175.17 176.65 3a9k s THR 22 N -0.68 3.48 0.33 -1.27 -4.23 -1.26 -1.15 115.64 110.86 3a9k s THR 22 Ca 0.54 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.55 3a9k s THR 22 Cb -0.43 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.31 3a9k s THR 22 CO 0.52 -0.63 1.98 0.40 -0.54 0.00 0.00 174.62 176.35 3a9k h ILE 23 N -0.79 1.13 -0.79 2.99 1.08 -1.11 -1.77 117.51 118.26 3a9k h ILE 23 Ca -0.45 -0.32 -0.05 0.00 -0.39 0.00 0.00 64.86 63.65 3a9k h ILE 23 Cb 1.25 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 3a9k h ILE 23 CO 0.61 0.17 0.32 -0.33 -0.69 0.00 0.00 178.15 178.23 3a9k h GLU 24 N 0.92 1.19 -0.87 2.37 3.07 -1.88 -0.53 114.58 118.86 3a9k h GLU 24 Ca 0.29 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3a9k h GLU 24 Cb 0.00 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 27.68 3a9k h GLU 24 CO -0.08 0.96 0.51 -0.91 -1.40 0.00 0.00 179.01 178.10 3a9k h ASN 25 N 1.15 1.05 -0.47 1.42 2.35 -1.74 -0.79 115.58 118.55 3a9k h ASN 25 Ca 0.26 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 3a9k h ASN 25 Cb 0.22 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3a9k h ASN 25 CO -0.02 0.81 0.06 0.58 -1.65 0.00 0.00 177.43 177.21 3a9k h VAL 26 N 1.19 1.25 -0.83 2.81 2.07 -0.68 -1.78 116.25 120.28 3a9k h VAL 26 Ca 0.31 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3a9k h VAL 26 Cb -0.04 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3a9k h VAL 26 CO -0.06 0.33 0.54 0.11 0.02 0.00 0.00 177.57 178.52 3a9k h LYS 27 N 0.65 1.11 -0.85 1.57 1.57 -0.78 -0.67 116.57 119.17 3a9k h LYS 27 Ca 0.14 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3a9k h LYS 27 Cb 0.42 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3a9k h LYS 27 CO 0.01 0.75 0.41 0.00 -0.57 0.00 0.00 179.45 180.05 3a9k h ALA 28 N 1.46 1.10 -0.39 3.86 0.00 -0.84 0.13 119.26 124.58 3a9k h ALA 28 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3a9k h ALA 28 Cb -0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 3a9k h ALA 28 CO -0.06 0.66 -0.07 0.87 0.00 0.00 0.00 179.25 180.64 3a9k h LYS 29 N 1.21 0.66 -0.41 0.00 1.57 -0.51 -1.35 116.57 117.74 3a9k h LYS 29 Ca 0.29 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 3a9k h LYS 29 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3a9k h LYS 29 CO -0.04 0.73 -0.12 0.82 -0.57 0.00 0.00 179.45 180.28 3a9k h ILE 30 N 0.61 1.28 -0.86 1.86 2.04 -0.60 -2.77 117.51 119.08 3a9k h ILE 30 Ca 0.11 -1.23 0.11 0.00 1.00 0.00 0.00 64.86 64.85 3a9k h ILE 30 Cb 0.49 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 3a9k h ILE 30 CO 0.03 0.41 0.49 -0.61 0.00 0.00 0.00 178.15 178.47 3a9k h GLN 31 N 0.63 0.78 -0.49 2.37 4.15 -0.35 0.15 115.11 122.34 3a9k h GLN 31 Ca 0.10 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.54 3a9k h GLN 31 Cb 0.65 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 3a9k h GLN 31 CO 0.04 0.52 0.33 -0.44 -1.93 0.00 0.00 178.83 177.35 3a9k h ASP 32 N 0.80 0.35 0.17 -0.69 3.32 -0.97 0.18 116.42 119.58 3a9k h ASP 32 Ca 0.42 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.12 3a9k h ASP 32 Cb 0.42 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3a9k h ASP 32 CO -0.27 0.23 -2.10 0.29 -1.72 0.00 0.00 179.24 175.67 3a9k n LYS 33 N -4.47 0.69 -0.00 3.56 5.02 -0.79 -4.66 118.16 117.51 3a9k n LYS 33 Ca 0.07 0.20 0.02 0.00 -2.02 0.00 0.00 58.31 56.58 3a9k n LYS 33 Cb 0.27 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3a9k n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a9k n GLU 34 N -3.20 3.27 -0.96 1.97 -0.58 0.44 -5.01 120.64 116.58 3a9k n GLU 34 Ca -0.31 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 3a9k n GLU 34 Cb 1.06 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 3a9k n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a9k n GLY 35 N 1.56 0.77 3.67 0.62 0.00 0.63 -5.00 105.19 107.43 3a9k n GLY 35 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3a9k n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a9k s ILE 36 N -3.17 4.91 0.37 -0.61 1.01 -1.26 -4.99 121.20 117.45 3a9k s ILE 36 Ca 0.00 1.54 -0.28 0.00 0.00 0.00 0.00 60.65 61.91 3a9k s ILE 36 Cb 0.00 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.26 3a9k s ILE 36 CO 0.00 0.04 1.48 -2.84 0.00 0.00 0.00 174.94 173.61 3a9k s PRO 37 N 2.14 4.13 0.41 2.79 0.02 -1.26 -3.96 135.00 139.27 3a9k s PRO 37 Ca 0.36 2.54 0.19 0.00 0.02 0.00 0.00 61.00 64.11 3a9k s PRO 37 Cb -0.16 -2.98 1.12 0.00 0.02 0.00 0.00 34.50 32.49 3a9k s PRO 37 CO 0.12 -0.51 1.80 -1.35 -0.33 0.00 0.00 177.00 176.73 3a9k h PRO 38 N 3.15 0.37 0.00 5.54 0.11 -1.95 0.77 132.00 139.99 3a9k h PRO 38 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3a9k h PRO 38 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a9k h PRO 38 CO 0.65 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 3a9k n ASP 39 N -4.57 0.45 -1.10 -2.05 5.68 -1.26 -1.45 116.55 112.25 3a9k n ASP 39 Ca 0.23 0.66 0.11 0.00 -0.50 0.00 0.00 54.79 55.29 3a9k n ASP 39 Cb 0.84 -0.73 0.20 0.00 -1.14 0.00 0.00 41.12 40.29 3a9k n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a9k n GLN 40 N -2.04 2.44 -4.42 0.11 6.02 0.26 -4.21 117.38 115.54 3a9k n GLN 40 Ca 0.01 -2.24 -0.34 0.00 -0.01 0.00 0.00 57.00 54.42 3a9k n GLN 40 Cb 0.12 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.78 3a9k n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3a9k s GLN 41 N -1.41 3.21 -0.07 -1.09 -0.21 -0.53 -0.60 119.66 118.96 3a9k s GLN 41 Ca 0.37 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 55.31 3a9k s GLN 41 Cb 0.22 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 3a9k s GLN 41 CO 0.30 0.52 -0.19 1.03 -2.12 0.00 0.00 175.29 174.83 3a9k s ARG 42 N -0.39 2.76 -0.11 2.91 0.52 0.75 -4.88 118.95 120.50 3a9k s ARG 42 Ca 0.07 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3a9k s ARG 42 Cb -0.12 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 3a9k s ARG 42 CO 0.02 0.40 -0.10 -0.51 0.02 0.00 0.00 175.30 175.13 3a9k s LEU 43 N -0.17 2.95 -0.07 2.53 1.43 -1.26 -0.74 118.68 123.35 3a9k s LEU 43 Ca -0.02 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3a9k s LEU 43 Cb -0.14 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3a9k s LEU 43 CO 0.03 0.23 -0.20 -0.63 0.23 0.00 0.00 176.35 176.01 3a9k s ILE 44 N -0.00 2.53 -0.12 -0.59 -1.09 0.07 -0.57 121.20 121.44 3a9k s ILE 44 Ca -0.02 -0.89 -0.06 0.00 -2.23 0.00 0.00 60.65 57.45 3a9k s ILE 44 Cb -0.14 -1.97 0.05 0.00 -1.58 0.00 0.00 42.46 38.82 3a9k s ILE 44 CO 0.03 0.57 0.28 0.12 -1.23 0.00 0.00 174.94 174.71 3a9k s PHE 45 N -0.25 -0.39 -1.47 3.97 5.36 -0.24 -0.61 117.98 124.34 3a9k s PHE 45 Ca -0.00 0.89 -0.07 0.00 -0.96 0.00 0.00 56.93 56.79 3a9k s PHE 45 Cb -0.13 0.08 0.05 0.00 -0.34 0.00 0.00 43.02 42.68 3a9k s PHE 45 CO 0.03 -0.26 0.70 0.00 -1.46 0.00 0.00 175.22 174.23 3a9k n ALA 46 N 4.34 -1.68 -0.11 11.12 0.00 -1.26 -1.47 120.51 131.45 3a9k n ALA 46 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3a9k n ALA 46 Cb 0.53 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3a9k n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a9k n GLY 47 N -1.70 1.68 3.37 0.00 0.00 -1.26 -5.01 105.19 102.26 3a9k n GLY 47 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3a9k n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a9k s LYS 48 N -0.38 2.06 0.00 1.61 1.02 -0.55 -5.11 119.74 118.40 3a9k s LYS 48 Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 3a9k s LYS 48 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 3a9k s LYS 48 CO 0.00 0.55 1.12 -1.14 -0.92 0.00 0.00 175.35 174.96 3a9k s GLN 49 N -0.98 4.45 -0.06 1.68 0.74 -1.26 -1.08 119.66 123.15 3a9k s GLN 49 Ca 0.12 1.62 -0.29 0.00 0.05 0.00 0.00 55.36 56.86 3a9k s GLN 49 Cb -0.10 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.54 3a9k s GLN 49 CO 0.01 -0.25 0.94 -0.51 -0.55 0.00 0.00 175.29 174.94 3a9k s LEU 50 N 1.38 4.31 -0.01 3.68 1.43 0.27 -4.98 118.68 124.76 3a9k s LEU 50 Ca 0.55 1.52 -0.17 0.00 -1.03 0.00 0.00 54.13 55.00 3a9k s LEU 50 Cb -0.25 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.44 3a9k s LEU 50 CO 0.26 -0.32 0.48 -1.61 0.23 0.00 0.00 176.35 175.40 3a9k s GLU 51 N 1.42 4.12 0.22 1.70 8.01 -1.26 -4.67 118.70 128.24 3a9k s GLU 51 Ca 0.48 0.53 -0.32 0.00 0.01 0.00 0.00 54.97 55.67 3a9k s GLU 51 Cb -0.19 -3.29 -0.12 0.00 -4.31 0.00 0.00 34.13 26.22 3a9k s GLU 51 CO 0.22 0.53 1.63 -0.25 0.01 0.00 0.00 175.26 177.40 3a9k n ASP 52 N 2.31 3.64 0.00 -0.19 10.43 -1.26 -2.35 116.55 129.12 3a9k n ASP 52 Ca -0.11 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.35 3a9k n ASP 52 Cb 0.52 -1.53 0.00 0.00 1.84 0.00 0.00 41.12 41.95 3a9k n ASP 52 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3a9k n GLY 53 N 3.24 1.13 3.95 0.44 0.00 -1.26 -5.03 105.19 107.66 3a9k n GLY 53 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3a9k n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a9k s ARG 54 N -0.02 2.69 0.34 1.61 0.52 -0.99 -4.88 118.95 118.22 3a9k s ARG 54 Ca 0.00 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 54.82 3a9k s ARG 54 Cb 0.00 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 3a9k s ARG 54 CO 0.00 -0.69 0.30 0.95 0.02 0.00 0.00 175.30 175.89 3a9k s THR 55 N -2.84 3.53 0.25 0.02 -4.23 -1.26 -0.61 115.64 110.50 3a9k s THR 55 Ca 0.55 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 3a9k s THR 55 Cb -0.10 -3.19 0.21 0.00 1.34 0.00 0.00 72.50 70.76 3a9k s THR 55 CO 0.41 -0.17 1.78 -0.07 -0.54 0.00 0.00 174.62 176.03 3a9k h LEU 56 N 1.22 0.56 -1.69 4.79 3.38 -0.95 -1.48 115.31 121.14 3a9k h LEU 56 Ca -0.45 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3a9k h LEU 56 Cb 1.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3a9k h LEU 56 CO 0.58 0.29 0.05 0.77 0.09 0.00 0.00 178.44 180.22 3a9k h SER 57 N 0.68 0.22 -0.13 -0.43 4.64 -1.24 -1.50 113.55 115.80 3a9k h SER 57 Ca 0.41 -0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.75 3a9k h SER 57 Cb 0.47 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3a9k h SER 57 CO -0.30 0.23 0.10 0.44 -0.87 0.00 0.00 176.83 176.43 3a9k h ASP 58 N 0.25 0.00 -0.50 4.97 3.45 -1.54 -1.57 116.42 121.49 3a9k h ASP 58 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3a9k h ASP 58 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3a9k h ASP 58 CO -0.00 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.45 3a9k n TYR 59 N -4.35 1.07 -3.86 4.55 4.02 -0.63 -4.95 117.16 113.02 3a9k n TYR 59 Ca 0.00 -0.63 -0.30 0.00 -0.01 0.00 0.00 57.90 56.96 3a9k n TYR 59 Cb 0.22 -0.18 0.01 0.00 -0.02 0.00 0.00 39.34 39.37 3a9k n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3a9k n ASN 60 N 0.68 -4.44 -4.60 7.72 3.02 -0.59 -4.91 115.26 112.14 3a9k n ASN 60 Ca 0.21 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.59 3a9k n ASN 60 Cb 0.75 -3.58 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 3a9k n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a9k s ILE 61 N -3.23 4.42 0.49 2.41 1.01 -0.84 -5.02 121.20 120.45 3a9k s ILE 61 Ca 0.63 1.19 0.09 0.00 0.00 0.00 0.00 60.65 62.56 3a9k s ILE 61 Cb -0.32 -4.46 0.04 0.00 0.01 0.00 0.00 42.46 37.73 3a9k s ILE 61 CO 0.78 -0.75 0.67 -1.10 0.00 0.00 0.00 174.94 174.53 3a9k s GLN 62 N 3.89 2.59 0.26 2.79 -1.52 -1.26 -4.59 119.66 121.82 3a9k s GLN 62 Ca 0.42 -1.43 -0.29 0.00 -1.95 0.00 0.00 55.36 52.12 3a9k s GLN 62 Cb -0.10 -2.70 -0.15 0.00 -0.22 0.00 0.00 33.01 29.84 3a9k s GLN 62 CO 0.24 -0.53 0.98 2.89 -0.25 0.00 0.00 175.29 178.62 3a9k n ARG 63 N -2.02 1.17 -0.96 2.91 1.85 -1.26 -2.31 116.66 116.04 3a9k n ARG 63 Ca 0.11 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 3a9k n ARG 63 Cb 0.60 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 3a9k n ARG 63 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3a9k n GLU 64 N 0.93 -0.24 -1.79 2.89 -0.58 0.44 -5.01 120.64 117.29 3a9k n GLU 64 Ca 0.11 0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.57 3a9k n GLU 64 Cb 0.30 -3.19 0.05 0.00 -0.57 0.00 0.00 31.44 28.03 3a9k n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3a9k s SER 65 N -2.32 4.89 -0.18 1.62 0.01 -0.98 -4.72 113.70 112.02 3a9k s SER 65 Ca 0.00 2.28 -0.04 0.00 1.31 0.00 0.00 55.95 59.50 3a9k s SER 65 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 3a9k s SER 65 CO 0.00 -1.79 -0.03 -0.89 0.41 0.00 0.00 173.24 170.94 3a9k s THR 66 N -1.89 3.74 0.23 1.44 2.01 -1.26 -0.81 115.64 119.09 3a9k s THR 66 Ca 0.74 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.39 3a9k s THR 66 Cb -0.27 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 3a9k s THR 66 CO 0.38 0.46 0.32 -0.76 -0.69 0.00 0.00 174.62 174.33 3a9k s LEU 67 N 0.81 4.24 -0.15 4.42 1.43 0.11 -4.84 118.68 124.70 3a9k s LEU 67 Ca -0.01 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3a9k s LEU 67 Cb -0.14 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 3a9k s LEU 67 CO 0.02 -0.05 -0.14 -1.00 0.23 0.00 0.00 176.35 175.41 3a9k s HIS 68 N -1.97 2.80 -0.22 0.29 3.76 0.22 -0.92 115.29 119.25 3a9k s HIS 68 Ca 0.34 -0.86 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 3a9k s HIS 68 Cb -0.09 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 3a9k s HIS 68 CO 0.28 -0.36 0.47 -1.17 -0.85 0.00 0.00 174.74 173.11 3a9k s LEU 69 N 0.63 4.12 -0.08 0.89 2.96 0.07 -0.75 118.68 126.52 3a9k s LEU 69 Ca -0.08 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 3a9k s LEU 69 Cb -0.16 -2.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 3a9k s LEU 69 CO 0.03 -0.17 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.98 3a9k s VAL 70 N 1.70 1.88 0.40 1.68 1.01 0.09 -3.74 120.40 123.41 3a9k s VAL 70 Ca 0.21 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 3a9k s VAL 70 Cb -0.15 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 3a9k s VAL 70 CO 0.09 0.52 0.82 -0.76 0.00 0.00 0.00 175.10 175.77 3a9k s LEU 71 N 0.26 3.87 0.09 3.92 1.43 -1.26 -0.18 118.68 126.81 3a9k s LEU 71 Ca -0.14 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3a9k s LEU 71 Cb -0.16 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3a9k s LEU 71 CO 0.07 -0.38 -0.06 0.00 0.23 0.00 0.00 176.35 176.21 3a9k s ARG 72 N -3.56 0.77 0.30 1.70 1.70 0.23 -4.84 118.95 115.25 3a9k s ARG 72 Ca 0.55 -1.25 -0.29 0.00 -0.47 0.00 0.00 55.73 54.27 3a9k s ARG 72 Cb -0.10 -0.16 -0.10 0.00 -0.57 0.00 0.00 34.95 34.02 3a9k s ARG 72 CO 0.25 -0.02 1.21 -0.51 -1.08 0.00 0.00 175.30 175.15 3a9k s LEU 73 N -2.85 4.49 0.27 -1.89 1.43 -1.26 -4.52 118.68 114.35 3a9k s LEU 73 Ca 0.09 2.47 -0.31 0.00 -1.03 0.00 0.00 54.13 55.35 3a9k s LEU 73 Cb 0.04 -3.64 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 3a9k s LEU 73 CO -0.05 -0.34 1.59 -1.14 0.23 0.00 0.00 176.35 176.64 3a9k n ARG 74 N 1.06 2.60 -2.66 1.70 0.63 -1.26 -4.88 116.66 113.85 3a9k n ARG 74 Ca -0.00 0.93 -0.40 0.00 -0.92 0.00 0.00 57.85 57.45 3a9k n ARG 74 Cb 0.43 -2.70 -0.05 0.00 0.45 0.00 0.00 32.46 30.59 3a9k n ARG 74 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3a9k s GLY 75 N 0.58 3.08 0.00 5.14 0.00 -1.26 -5.09 107.32 109.77 3a9k s GLY 75 Ca 0.67 0.70 0.25 0.00 0.00 0.00 0.00 44.72 46.33 3a9k s GLY 75 CO 0.46 1.32 1.34 0.61 0.00 0.00 0.00 173.10 176.83