#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx3 n ALA 2 N 0.00 -2.59 -1.65 3.17 0.00 -1.26 -4.95 120.51 113.22 1yx3 n ALA 2 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1yx3 n ALA 2 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.35 1yx3 n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yx3 n ASP 3 N -2.51 0.00 -3.97 0.00 8.00 -1.17 -4.80 116.55 112.10 1yx3 n ASP 3 Ca -0.12 -0.94 -0.17 0.00 0.71 0.00 0.00 54.79 54.28 1yx3 n ASP 3 Cb 0.59 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.55 1yx3 n ASP 3 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1yx3 s THR 4 N -0.26 0.48 -0.08 -3.53 -4.23 -1.26 -1.43 115.64 105.32 1yx3 s THR 4 Ca 0.00 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.19 1yx3 s THR 4 Cb 0.00 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 1yx3 s THR 4 CO 0.00 0.14 0.17 0.27 -0.54 0.00 0.00 174.62 174.66 1yx3 s ILE 5 N -0.08 5.46 -0.45 2.99 -4.36 -0.33 -4.87 121.20 119.57 1yx3 s ILE 5 Ca 0.02 0.16 -0.17 0.00 -0.26 0.00 0.00 60.65 60.40 1yx3 s ILE 5 Cb -0.03 -3.46 0.04 0.00 1.25 0.00 0.00 42.46 40.26 1yx3 s ILE 5 CO -0.00 0.54 0.43 -0.70 0.24 0.00 0.00 174.94 175.45 1yx3 s GLU 6 N -1.27 3.04 -0.41 0.37 2.12 -1.26 -0.48 118.70 120.81 1yx3 s GLU 6 Ca 0.19 -0.99 -0.04 0.00 0.36 0.00 0.00 54.97 54.48 1yx3 s GLU 6 Cb -0.12 -4.04 0.11 0.00 0.26 0.00 0.00 34.13 30.33 1yx3 s GLU 6 CO 0.08 -0.94 0.22 0.08 -0.54 0.00 0.00 175.26 174.16 1yx3 s VAL 7 N 1.99 3.50 -1.14 3.70 1.01 0.25 -4.71 120.40 125.01 1yx3 s VAL 7 Ca 0.09 -1.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.11 1yx3 s VAL 7 Cb -0.20 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1yx3 s VAL 7 CO 0.11 -0.65 0.91 -0.67 0.00 0.00 0.00 175.10 174.79 1yx3 n ASP 8 N 4.67 -4.42 0.00 3.32 2.03 -1.26 -2.29 116.55 118.60 1yx3 n ASP 8 Ca -0.04 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.55 1yx3 n ASP 8 Cb 0.41 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 35.91 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yx3 n GLY 9 N -1.27 2.99 3.77 0.27 0.00 -1.26 -4.97 105.19 104.72 1yx3 n GLY 9 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1yx3 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yx3 s LYS 10 N -0.09 3.11 -0.14 1.61 1.02 -0.97 -5.06 119.74 119.21 1yx3 s LYS 10 Ca 0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 55.97 55.54 1yx3 s LYS 10 Cb 0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1yx3 s LYS 10 CO 0.00 0.69 0.05 -0.65 -0.92 0.00 0.00 175.35 174.52 1yx3 s GLN 11 N -1.33 3.61 -0.09 1.68 -0.21 -1.26 0.84 119.66 122.90 1yx3 s GLN 11 Ca 0.18 -0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.24 1yx3 s GLN 11 Cb -0.12 -3.08 -0.02 0.00 1.00 0.00 0.00 33.01 30.79 1yx3 s GLN 11 CO 0.08 0.47 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.51 1yx3 s PHE 12 N -0.19 2.73 0.02 0.91 0.08 0.36 -4.92 117.98 116.97 1yx3 s PHE 12 Ca 0.07 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.34 1yx3 s PHE 12 Cb -0.12 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1yx3 s PHE 12 CO 0.01 -0.07 1.40 0.00 -0.10 0.00 0.00 175.22 176.46 1yx3 s ALA 13 N -0.09 3.58 0.32 5.36 0.00 -1.26 -1.18 121.76 128.48 1yx3 s ALA 13 Ca -0.02 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1yx3 s ALA 13 Cb -0.14 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 1yx3 s ALA 13 CO 0.04 -0.86 0.05 0.14 0.00 0.00 0.00 175.76 175.13 1yx3 s VAL 14 N 2.18 1.21 0.45 0.00 -7.23 -0.52 -0.74 120.40 115.75 1yx3 s VAL 14 Ca 0.64 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1yx3 s VAL 14 Cb -0.32 -2.78 0.09 0.00 0.56 0.00 0.00 36.38 33.93 1yx3 s VAL 14 CO 0.27 -0.02 0.61 -0.90 -0.31 0.00 0.00 175.10 174.76 1yx3 n ASP 15 N -0.68 0.63 0.26 4.85 5.75 0.22 -3.04 116.55 124.53 1yx3 n ASP 15 Ca -0.02 -1.57 0.17 0.00 -0.01 0.00 0.00 54.79 53.35 1yx3 n ASP 15 Cb 0.66 -0.41 0.69 0.00 -1.03 0.00 0.00 41.12 41.03 1yx3 n ASP 15 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1yx3 h GLU 16 N 0.00 0.00 0.00 0.11 4.81 -1.91 -1.05 114.58 116.54 1yx3 h GLU 16 Ca -0.20 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.80 1yx3 h GLU 16 Cb 0.69 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1yx3 h GLU 16 CO 0.20 0.00 -1.34 0.93 -0.73 0.00 0.00 179.01 178.07 1yx3 h GLU 17 N 0.00 0.00 0.00 1.92 5.08 -2.01 -3.45 114.58 116.12 1yx3 h GLU 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yx3 h GLU 17 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1yx3 h GLU 17 CO 0.00 0.60 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 1yx3 n GLY 18 N 1.44 0.96 3.69 -3.84 0.00 -0.40 -5.09 105.19 101.95 1yx3 n GLY 18 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1yx3 n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yx3 s TYR 19 N -1.93 2.55 -0.50 1.61 1.51 -1.26 -4.54 117.35 114.79 1yx3 s TYR 19 Ca 0.00 0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 56.17 1yx3 s TYR 19 Cb 0.00 -3.94 -0.10 0.00 -0.11 0.00 0.00 41.96 37.81 1yx3 s TYR 19 CO 0.00 -3.70 2.38 -0.11 -1.11 0.00 0.00 175.55 173.01 1yx3 n LEU 20 N 5.31 2.08 -0.54 -1.29 7.94 -1.25 -0.61 117.00 128.65 1yx3 n LEU 20 Ca 0.15 -0.06 0.13 0.00 -1.11 0.00 0.00 56.01 55.12 1yx3 n LEU 20 Cb 0.40 -1.39 0.26 0.00 0.53 0.00 0.00 43.42 43.22 1yx3 n LEU 20 CO 0.62 -1.09 0.62 -1.20 -1.11 0.00 0.00 177.39 175.23 1yx3 n SER 21 N 12.91 1.86 -4.18 1.96 7.64 0.08 -4.40 113.62 129.49 1yx3 n SER 21 Ca 0.42 -1.46 -0.39 0.00 1.01 0.00 0.00 58.87 58.44 1yx3 n SER 21 Cb 0.37 0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 1yx3 n SER 21 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1yx3 s ASN 22 N -2.25 6.29 -0.94 6.43 2.47 -0.92 -4.96 114.94 121.07 1yx3 s ASN 22 Ca 0.27 -3.50 -0.18 0.00 0.42 0.00 0.00 52.86 49.87 1yx3 s ASN 22 Cb 0.20 -2.00 0.14 0.00 -1.45 0.00 0.00 41.25 38.13 1yx3 s ASN 22 CO 0.43 -0.26 1.12 -0.22 -3.72 0.00 0.00 177.10 174.45 1yx3 s LEU 23 N -1.04 5.17 -0.20 3.21 0.20 -1.26 -4.71 118.68 120.04 1yx3 s LEU 23 Ca 0.26 -2.14 0.03 0.00 0.69 0.00 0.00 54.13 52.98 1yx3 s LEU 23 Cb -0.10 -2.39 -0.21 0.00 -0.43 0.00 0.00 46.19 43.07 1yx3 s LEU 23 CO -0.10 -1.01 0.04 -0.46 -0.29 0.00 0.00 176.35 174.53 1yx3 n ASN 24 N 6.33 1.62 0.00 3.68 0.23 -1.26 -4.94 115.26 120.92 1yx3 n ASN 24 Ca 0.24 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 1yx3 n ASN 24 Cb 0.49 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1yx3 n ASN 24 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1yx3 n ASP 25 N -3.22 0.00 -0.39 0.53 -0.08 -1.26 -5.15 116.55 106.98 1yx3 n ASP 25 Ca -0.38 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 1yx3 n ASP 25 Cb 1.04 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.50 1yx3 n ASP 25 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1yx3 n TRP 26 N -1.00 -0.07 -4.29 -0.67 -0.00 -1.26 -5.09 117.44 105.06 1yx3 n TRP 26 Ca 0.00 0.04 -0.28 0.00 -0.00 0.00 0.00 57.50 57.26 1yx3 n TRP 26 Cb 0.00 -1.89 -0.10 0.00 -0.00 0.00 0.00 31.31 29.31 1yx3 n TRP 26 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1yx3 s VAL 27 N -0.28 3.05 0.43 5.87 -7.23 -1.26 -5.03 120.40 115.95 1yx3 s VAL 27 Ca 0.00 -1.55 0.21 0.00 -1.81 0.00 0.00 61.98 58.83 1yx3 s VAL 27 Cb 0.00 -2.45 0.41 0.00 0.56 0.00 0.00 36.38 34.90 1yx3 s VAL 27 CO 0.00 0.01 1.81 -0.65 -0.31 0.00 0.00 175.10 175.96 1yx3 h PRO 28 N 3.37 0.33 -0.59 4.82 0.11 -1.98 0.25 132.00 138.31 1yx3 h PRO 28 Ca -0.48 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1yx3 h PRO 28 Cb 1.18 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1yx3 h PRO 28 CO 0.50 0.22 0.39 0.78 -0.21 0.00 0.00 178.00 179.68 1yx3 h GLY 29 N 0.34 0.66 0.97 -0.55 0.00 -1.98 0.73 103.07 103.24 1yx3 h GLY 29 Ca 0.54 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 1yx3 h GLY 29 CO -0.21 0.14 0.10 -2.08 0.00 0.00 0.00 176.54 174.50 1yx3 h VAL 30 N 0.51 1.08 -0.37 4.60 2.07 -1.30 -0.83 116.25 122.00 1yx3 h VAL 30 Ca 0.26 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.44 1yx3 h VAL 30 Cb 0.37 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1yx3 h VAL 30 CO -0.08 0.07 -0.34 0.00 0.02 0.00 0.00 177.57 177.25 1yx3 h ALA 31 N 1.02 0.70 0.46 1.67 0.00 -1.44 -2.34 119.26 119.33 1yx3 h ALA 31 Ca 0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1yx3 h ALA 31 Cb 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1yx3 h ALA 31 CO -0.01 0.66 -0.26 0.22 0.00 0.00 0.00 179.25 179.87 1yx3 h ASP 32 N 0.70 -0.63 -0.62 0.00 3.58 -0.62 0.26 116.42 119.09 1yx3 h ASP 32 Ca 0.07 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1yx3 h ASP 32 Cb 0.90 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 1yx3 h ASP 32 CO 0.08 -0.42 0.30 0.58 -2.88 0.00 0.00 179.24 176.90 1yx3 h VAL 33 N -0.67 1.22 -0.22 2.25 2.07 -1.20 -2.41 116.25 117.28 1yx3 h VAL 33 Ca -0.06 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1yx3 h VAL 33 Cb 0.54 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1yx3 h VAL 33 CO 0.08 0.26 -0.10 -0.03 0.02 0.00 0.00 177.57 177.79 1yx3 h MET 34 N 0.92 0.47 -0.35 1.57 1.85 -1.15 -3.02 114.93 115.22 1yx3 h MET 34 Ca 0.22 -0.20 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1yx3 h MET 34 Cb 0.12 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 1yx3 h MET 34 CO -0.03 0.74 0.16 0.00 -0.40 0.00 0.00 176.91 177.38 1yx3 h ALA 35 N 0.72 1.63 0.00 0.39 0.00 -0.26 0.15 119.26 121.90 1yx3 h ALA 35 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1yx3 h ALA 35 Cb 0.60 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yx3 h ALA 35 CO 0.03 0.30 -0.05 0.87 0.00 0.00 0.00 179.25 180.40 1yx3 h LYS 36 N 0.48 0.00 0.01 0.00 1.57 -1.32 0.16 116.57 117.47 1yx3 h LYS 36 Ca 0.12 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.59 1yx3 h LYS 36 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1yx3 h LYS 36 CO -0.02 0.05 -1.87 1.04 -0.57 0.00 0.00 179.45 178.08 1yx3 n GLN 37 N -3.19 0.65 0.06 3.15 6.02 -0.05 -3.93 117.38 120.09 1yx3 n GLN 37 Ca -0.00 0.24 0.13 0.00 -0.01 0.00 0.00 57.00 57.36 1yx3 n GLN 37 Cb 0.30 -1.73 0.50 0.00 1.02 0.00 0.00 30.24 30.32 1yx3 n GLN 37 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1yx3 n ASP 38 N -3.03 0.45 -2.23 1.08 2.03 0.34 -4.93 116.55 110.26 1yx3 n ASP 38 Ca -0.22 0.55 -0.10 0.00 0.52 0.00 0.00 54.79 55.54 1yx3 n ASP 38 Cb 1.07 -0.66 0.05 0.00 -0.72 0.00 0.00 41.12 40.85 1yx3 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1yx3 n ASN 39 N -1.92 -2.64 -4.03 1.67 4.05 0.39 -5.05 115.26 107.73 1yx3 n ASN 39 Ca 0.06 -0.31 -0.18 0.00 0.45 0.00 0.00 54.58 54.60 1yx3 n ASN 39 Cb 0.38 -2.90 -0.14 0.00 1.23 0.00 0.00 39.78 38.34 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1yx3 s LEU 40 N -4.28 2.06 0.16 1.20 2.96 -0.23 -5.04 118.68 115.52 1yx3 s LEU 40 Ca 0.08 -0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 53.50 1yx3 s LEU 40 Cb -0.04 -0.42 -0.08 0.00 0.50 0.00 0.00 46.19 46.15 1yx3 s LEU 40 CO 0.38 0.06 0.78 -1.83 -1.32 0.00 0.00 176.35 174.42 1yx3 s GLU 41 N -0.48 4.57 -0.66 1.98 1.03 -1.26 -4.32 118.70 119.56 1yx3 s GLU 41 Ca 0.02 1.16 -0.14 0.00 0.03 0.00 0.00 54.97 56.04 1yx3 s GLU 41 Cb -0.05 -3.26 0.17 0.00 -0.80 0.00 0.00 34.13 30.19 1yx3 s GLU 41 CO -0.00 0.57 0.59 -0.51 -1.33 0.00 0.00 175.26 174.58 1yx3 s LEU 42 N -1.12 6.33 0.45 1.83 1.43 -1.26 -4.91 118.68 121.42 1yx3 s LEU 42 Ca 0.36 -2.25 0.03 0.00 -1.03 0.00 0.00 54.13 51.24 1yx3 s LEU 42 Cb -0.23 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1yx3 s LEU 42 CO 0.26 -0.69 0.64 -0.89 0.23 0.00 0.00 176.35 175.90 1yx3 s THR 43 N 0.86 3.58 0.46 5.49 2.01 -1.26 -4.85 115.64 121.94 1yx3 s THR 43 Ca 0.10 -0.71 0.23 0.00 0.31 0.00 0.00 61.69 61.63 1yx3 s THR 43 Cb -0.21 -3.29 0.42 0.00 0.01 0.00 0.00 72.50 69.43 1yx3 s THR 43 CO -0.03 -0.17 1.86 -0.33 -0.69 0.00 0.00 174.62 175.26 1yx3 h GLU 44 N 0.45 0.24 0.54 4.92 3.07 -1.98 0.21 114.58 122.03 1yx3 h GLU 44 Ca -0.44 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 1yx3 h GLU 44 Cb 1.27 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 1yx3 h GLU 44 CO 0.54 0.16 -0.46 0.93 -1.40 0.00 0.00 179.01 178.77 1yx3 h GLU 45 N 0.24 -0.95 -0.83 2.33 4.39 -2.00 -2.40 114.58 115.38 1yx3 h GLU 45 Ca 0.46 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.22 1yx3 h GLU 45 Cb 1.40 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 30.23 1yx3 h GLU 45 CO -0.12 -0.63 0.48 0.45 -1.16 0.00 0.00 179.01 178.03 1yx3 h HIS 46 N -0.99 1.10 -0.76 4.33 3.86 -1.08 -2.30 115.15 119.32 1yx3 h HIS 46 Ca -0.06 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1yx3 h HIS 46 Cb 0.84 -0.36 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1yx3 h HIS 46 CO -0.20 0.75 0.44 -1.49 0.86 0.00 0.00 177.93 178.29 1yx3 h TRP 47 N 1.14 0.82 0.00 2.45 4.06 -0.67 -0.62 115.95 123.12 1yx3 h TRP 47 Ca 0.29 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 61.13 1yx3 h TRP 47 Cb -0.02 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 1yx3 h TRP 47 CO -0.00 0.40 -0.68 0.22 -3.56 0.00 0.00 178.44 174.81 1yx3 h ASP 48 N 0.81 0.00 -0.25 -3.49 3.58 -1.07 0.19 116.42 116.19 1yx3 h ASP 48 Ca 0.34 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 1yx3 h ASP 48 Cb 0.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1yx3 h ASP 48 CO -0.19 0.68 0.08 0.40 -2.88 0.00 0.00 179.24 177.34 1yx3 h ILE 49 N 0.00 1.19 -0.59 2.25 1.08 -0.81 0.39 117.51 121.02 1yx3 h ILE 49 Ca -0.01 -0.59 -0.06 0.00 -0.39 0.00 0.00 64.86 63.81 1yx3 h ILE 49 Cb 1.33 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 1yx3 h ILE 49 CO 0.09 0.19 0.14 0.40 -0.69 0.00 0.00 178.15 178.28 1yx3 h ILE 50 N 0.24 1.25 -0.16 -0.67 2.04 -1.01 -2.13 117.51 117.06 1yx3 h ILE 50 Ca 0.08 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1yx3 h ILE 50 Cb 0.22 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1yx3 h ILE 50 CO -0.00 0.34 -0.01 -1.13 0.00 0.00 0.00 178.15 177.35 1yx3 h ASN 51 N 0.86 -0.09 -0.39 1.72 -1.24 -0.33 -1.38 115.58 114.74 1yx3 h ASN 51 Ca 0.18 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 1yx3 h ASN 51 Cb 0.36 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 1yx3 h ASN 51 CO 0.00 -0.02 0.18 0.15 -1.29 0.00 0.00 177.43 176.45 1yx3 h PHE 52 N 0.04 0.61 -0.42 0.67 3.57 -0.09 0.20 116.94 121.51 1yx3 h PHE 52 Ca 0.08 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1yx3 h PHE 52 Cb 0.10 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1yx3 h PHE 52 CO -0.17 0.47 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.30 1yx3 h LEU 53 N 0.61 0.66 -0.08 0.59 3.38 -0.80 0.18 115.31 119.85 1yx3 h LEU 53 Ca 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1yx3 h LEU 53 Cb 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1yx3 h LEU 53 CO -0.02 0.74 -0.01 -0.09 0.09 0.00 0.00 178.44 179.15 1yx3 h ARG 54 N 0.65 0.15 -0.72 1.13 2.43 -0.04 -1.77 114.38 116.21 1yx3 h ARG 54 Ca 0.13 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1yx3 h ARG 54 Cb 0.43 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 1yx3 h ARG 54 CO 0.02 0.46 0.32 0.93 -1.51 0.00 0.00 179.97 180.19 1yx3 h GLU 55 N -0.16 0.51 -0.23 0.20 5.08 -0.20 0.43 114.58 120.20 1yx3 h GLU 55 Ca 0.02 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1yx3 h GLU 55 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1yx3 h GLU 55 CO 0.01 0.33 -0.43 -0.92 -1.00 0.00 0.00 179.01 177.00 1yx3 h TYR 56 N 0.52 0.88 0.08 4.33 3.20 -0.64 -2.37 116.97 122.97 1yx3 h TYR 56 Ca 0.38 -0.31 -0.28 0.00 3.14 0.00 0.00 58.73 61.65 1yx3 h TYR 56 Cb 0.48 -0.17 0.02 0.00 1.54 0.00 0.00 36.73 38.61 1yx3 h TYR 56 CO -0.14 1.09 -1.16 -0.92 -1.64 0.00 0.00 178.16 175.40 1yx3 h TYR 57 N 0.42 0.95 -0.01 -3.82 3.20 -0.83 0.10 116.97 116.99 1yx3 h TYR 57 Ca 0.01 -0.57 -0.11 0.00 3.14 0.00 0.00 58.73 61.21 1yx3 h TYR 57 Cb 1.03 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1yx3 h TYR 57 CO 0.08 1.41 -0.50 1.49 -1.64 0.00 0.00 178.16 179.01 1yx3 h GLU 58 N 0.29 0.01 0.00 1.82 4.81 -0.21 -0.42 114.58 120.88 1yx3 h GLU 58 Ca -0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1yx3 h GLU 58 Cb 1.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.21 1yx3 h GLU 58 CO 0.22 0.51 -0.36 -1.91 -0.73 0.00 0.00 179.01 176.74 1yx3 n GLU 59 N -3.95 0.25 0.00 1.92 0.00 -0.89 -4.56 120.64 113.41 1yx3 n GLU 59 Ca -0.02 0.28 0.11 0.00 0.00 0.00 0.00 57.16 57.54 1yx3 n GLU 59 Cb 0.52 -1.14 0.51 0.00 0.00 0.00 0.00 31.44 31.32 1yx3 n GLU 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1yx3 n TYR 60 N -3.50 0.00 -1.43 4.31 4.02 0.35 -4.87 117.16 116.04 1yx3 n TYR 60 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.69 1yx3 n TYR 60 Cb 0.19 -0.47 -0.06 0.00 -0.02 0.00 0.00 39.34 38.97 1yx3 n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1yx3 n GLN 61 N -1.47 -1.04 -4.07 -0.72 1.13 -0.17 -4.97 117.38 106.07 1yx3 n GLN 61 Ca 0.06 1.03 -0.14 0.00 -1.94 0.00 0.00 57.00 56.01 1yx3 n GLN 61 Cb 0.26 -5.16 -0.13 0.00 0.11 0.00 0.00 30.24 25.32 1yx3 n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1yx3 s ILE 62 N -2.55 0.37 -0.25 5.09 2.07 -1.25 -4.99 121.20 119.69 1yx3 s ILE 62 Ca 0.00 -0.57 -0.08 0.00 -1.41 0.00 0.00 60.65 58.59 1yx3 s ILE 62 Cb 0.00 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1yx3 s ILE 62 CO 0.00 -0.14 0.10 0.00 -1.91 0.00 0.00 174.94 173.00 1yx3 s ALA 63 N -0.69 3.31 0.63 1.50 0.00 -1.26 -3.49 121.76 121.77 1yx3 s ALA 63 Ca -0.04 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.78 1yx3 s ALA 63 Cb -0.05 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.91 1yx3 s ALA 63 CO -0.00 -0.40 0.98 -1.25 0.00 0.00 0.00 175.76 175.08 1yx3 s PRO 64 N 1.46 2.89 0.70 0.00 0.04 -1.26 -4.20 135.00 134.63 1yx3 s PRO 64 Ca 0.06 0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.31 1yx3 s PRO 64 Cb -0.15 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.34 1yx3 s PRO 64 CO 0.05 -0.83 0.96 0.00 0.04 0.00 0.00 177.00 177.22 1yx3 n ALA 65 N -2.74 0.60 -0.15 8.56 0.00 -1.26 -4.83 120.51 120.68 1yx3 n ALA 65 Ca 0.05 -2.07 -0.03 0.00 0.00 0.00 0.00 53.44 51.39 1yx3 n ALA 65 Cb 0.57 0.43 0.05 0.00 0.00 0.00 0.00 19.45 20.51 1yx3 n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yx3 h VAL 66 N -0.35 0.79 -0.12 0.00 2.07 -1.98 0.29 116.25 116.93 1yx3 h VAL 66 Ca -0.32 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1yx3 h VAL 66 Cb 1.27 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1yx3 h VAL 66 CO 0.38 0.05 -0.10 0.03 0.02 0.00 0.00 177.57 177.94 1yx3 h ARG 67 N 0.27 -0.12 -0.19 1.57 3.08 -2.00 -1.68 114.38 115.31 1yx3 h ARG 67 Ca 0.23 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1yx3 h ARG 67 Cb 0.27 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1yx3 h ARG 67 CO -0.27 -0.08 -0.02 0.28 -1.07 0.00 0.00 179.97 178.81 1yx3 h VAL 68 N -0.12 1.27 0.43 2.04 2.07 -1.81 -2.98 116.25 117.15 1yx3 h VAL 68 Ca 0.08 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1yx3 h VAL 68 Cb 0.24 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1yx3 h VAL 68 CO -0.20 0.29 -0.37 0.25 0.02 0.00 0.00 177.57 177.56 1yx3 h LEU 69 N 0.10 -0.97 -1.31 2.57 5.85 -0.82 0.85 115.31 121.59 1yx3 h LEU 69 Ca 0.05 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1yx3 h LEU 69 Cb 0.44 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1yx3 h LEU 69 CO 0.01 -0.53 0.54 0.74 -0.34 0.00 0.00 178.44 178.87 1yx3 h THR 70 N -0.80 0.94 0.00 1.05 2.02 -1.35 -0.43 112.91 114.34 1yx3 h THR 70 Ca -0.04 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 66.68 1yx3 h THR 70 Cb 0.69 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1yx3 h THR 70 CO -0.02 0.14 -1.04 0.11 0.37 0.00 0.00 175.52 175.08 1yx3 h LYS 71 N 0.76 0.00 0.00 6.66 1.57 -1.35 -3.26 116.57 120.95 1yx3 h LYS 71 Ca 0.39 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.11 1yx3 h LYS 71 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1yx3 h LYS 71 CO -0.16 0.73 -0.29 0.00 -0.57 0.00 0.00 179.45 179.16 1yx3 h ALA 72 N 1.16 0.88 -0.22 3.86 0.00 0.53 -2.90 119.26 122.57 1yx3 h ALA 72 Ca -0.07 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.64 1yx3 h ALA 72 Cb 1.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1yx3 h ALA 72 CO 0.10 0.37 0.16 0.28 0.00 0.00 0.00 179.25 180.16 1yx3 h VAL 73 N 0.00 0.84 0.00 0.00 2.07 -1.18 -1.06 116.25 116.92 1yx3 h VAL 73 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yx3 h VAL 73 Cb 1.03 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1yx3 h VAL 73 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1yx3 n GLY 74 N -1.56 -1.00 0.01 2.17 0.00 -0.97 -0.19 105.19 103.64 1yx3 n GLY 74 Ca 0.02 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1yx3 n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yx3 n LYS 75 N -1.56 0.62 -0.02 1.61 5.02 -0.41 -3.25 118.16 120.18 1yx3 n LYS 75 Ca 0.03 -0.19 -0.02 0.00 -2.02 0.00 0.00 58.31 56.12 1yx3 n LYS 75 Cb 0.17 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1yx3 n LYS 75 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yx3 n LYS 76 N -2.20 1.59 -0.13 1.97 0.00 -0.88 -4.82 118.16 113.69 1yx3 n LYS 76 Ca -0.04 0.01 -0.24 0.00 0.00 0.00 0.00 58.31 58.04 1yx3 n LYS 76 Cb 0.53 -1.07 -0.11 0.00 0.00 0.00 0.00 35.03 34.39 1yx3 n LYS 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1yx3 n LEU 77 N -2.39 2.39 0.00 3.14 7.94 0.73 -5.08 117.00 123.74 1yx3 n LEU 77 Ca -0.05 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1yx3 n LEU 77 Cb 0.58 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.68 1yx3 n LEU 77 CO 0.04 0.73 0.00 0.61 -1.11 0.00 0.00 177.39 177.67 1yx3 n GLY 78 N 1.72 2.16 0.13 -3.96 0.00 -1.05 -5.00 105.19 99.18 1yx3 n GLY 78 Ca -0.50 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.27 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yx3 h LYS 79 N 0.00 0.00 0.00 1.61 1.57 -1.84 -1.29 116.57 116.61 1yx3 h LYS 79 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1yx3 h LYS 79 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1yx3 h LYS 79 CO 0.00 0.00 -0.39 0.93 -0.57 0.00 0.00 179.45 179.42 1yx3 h GLU 80 N 0.00 0.00 -5.83 3.15 3.07 -1.95 -3.42 114.58 109.59 1yx3 h GLU 80 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 1yx3 h GLU 80 Cb 0.51 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.30 1yx3 h GLU 80 CO 0.00 0.39 0.39 0.15 -1.40 0.00 0.00 179.01 178.54 1yx3 s LYS 81 N -3.16 3.44 0.00 2.33 3.01 -0.49 -4.42 119.74 120.45 1yx3 s LYS 81 Ca 0.03 -0.05 0.00 0.00 -1.01 0.00 0.00 55.97 54.94 1yx3 s LYS 81 Cb 0.08 -3.93 0.00 0.00 -1.01 0.00 0.00 37.83 32.97 1yx3 s LYS 81 CO 0.71 -1.12 0.00 0.41 0.51 0.00 0.00 175.35 175.86 1yx3 n GLY 82 N 4.96 0.00 3.77 -3.33 0.00 -1.26 -2.30 105.19 107.04 1yx3 n GLY 82 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1yx3 n GLY 82 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yx3 s ASN 83 N -0.12 6.53 0.57 1.61 -0.87 -1.26 -4.52 114.94 116.88 1yx3 s ASN 83 Ca 0.00 2.89 0.25 0.00 -1.57 0.00 0.00 52.86 54.43 1yx3 s ASN 83 Cb 0.00 -2.66 1.62 0.00 -0.02 0.00 0.00 41.25 40.19 1yx3 s ASN 83 CO 0.00 -0.73 2.21 0.28 -2.57 0.00 0.00 177.10 176.29 1yx3 h SER 84 N 3.23 0.00 -0.82 -1.22 0.02 -2.00 -1.81 113.55 110.95 1yx3 h SER 84 Ca -0.50 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.65 1yx3 h SER 84 Cb 1.23 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.64 1yx3 h SER 84 CO 0.65 0.00 0.17 0.11 -1.14 0.00 0.00 176.83 176.62 1yx3 h LYS 85 N 0.00 0.20 0.84 3.45 1.79 -1.96 -0.11 116.57 120.77 1yx3 h LYS 85 Ca 0.01 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1yx3 h LYS 85 Cb 0.04 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1yx3 h LYS 85 CO -0.00 0.13 -0.42 -0.92 -1.08 0.00 0.00 179.45 177.16 1yx3 h TYR 86 N 0.20 -1.09 -0.17 -1.35 5.03 -1.70 -1.84 116.97 116.06 1yx3 h TYR 86 Ca 0.49 -0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.65 1yx3 h TYR 86 Cb 0.93 0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.56 1yx3 h TYR 86 CO -0.30 -0.67 -0.44 -0.07 -1.32 0.00 0.00 178.16 175.36 1yx3 h LEU 87 N -1.15 0.43 0.00 2.82 -0.00 -1.61 -2.31 115.31 113.50 1yx3 h LEU 87 Ca -0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 1yx3 h LEU 87 Cb 0.89 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1yx3 h LEU 87 CO 0.18 0.82 0.00 -1.22 -0.00 0.00 0.00 178.44 178.22 1yx3 n TYR 88 N -4.00 0.00 -0.05 1.13 4.01 -0.08 -0.67 117.16 117.49 1yx3 n TYR 88 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 1yx3 n TYR 88 Cb 0.52 -0.34 -0.15 0.00 -0.31 0.00 0.00 39.34 39.06 1yx3 n TYR 88 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1yx3 n SER 89 N -1.34 0.60 0.01 7.72 7.64 -0.70 -4.28 113.62 123.27 1yx3 n SER 89 Ca 0.12 0.24 -0.17 0.00 1.01 0.00 0.00 58.87 60.06 1yx3 n SER 89 Cb 0.26 0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 63.65 1yx3 n SER 89 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1yx3 h LEU 90 N 0.00 0.46 -7.66 -3.43 3.38 -1.07 -3.42 115.31 103.57 1yx3 h LEU 90 Ca -0.40 -0.81 -0.65 0.00 0.09 0.00 0.00 57.88 56.12 1yx3 h LEU 90 Cb 2.10 -0.14 -0.39 0.00 0.09 0.00 0.00 40.66 42.32 1yx3 h LEU 90 CO 0.06 1.21 -0.75 -0.36 0.09 0.00 0.00 178.44 178.69 1yx3 s PHE 91 N -3.02 3.28 -1.45 1.13 0.08 0.16 -4.97 117.98 113.19 1yx3 s PHE 91 Ca -0.14 -2.58 0.29 0.00 0.12 0.00 0.00 56.93 54.62 1yx3 s PHE 91 Cb 0.02 -2.43 1.47 0.00 -0.57 0.00 0.00 43.02 41.51 1yx3 s PHE 91 CO 0.81 -0.91 2.00 -2.30 -0.10 0.00 0.00 175.22 174.72 1yx3 n PRO 92 N 4.40 0.42 -0.07 0.24 -0.02 -1.26 -3.24 135.00 135.48 1yx3 n PRO 92 Ca -0.02 0.01 0.06 0.00 -2.02 0.00 0.00 63.50 61.53 1yx3 n PRO 92 Cb 0.42 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.50 1yx3 n PRO 92 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1yx3 n TYR 93 N -1.28 0.06 0.00 6.00 4.02 -1.26 -5.02 117.16 119.69 1yx3 n TYR 93 Ca 0.14 -0.80 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 1yx3 n TYR 93 Cb 0.23 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yx3 n GLY 94 N -1.00 2.29 0.46 2.72 0.00 -1.20 -4.67 105.19 103.80 1yx3 n GLY 94 Ca 0.10 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 1yx3 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yx3 h PRO 95 N 0.00 -0.59 -0.25 1.61 0.11 -1.80 0.45 132.00 131.53 1yx3 h PRO 95 Ca 0.00 0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 1yx3 h PRO 95 Cb 0.00 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1yx3 h PRO 95 CO 0.00 -0.39 -0.37 0.00 -0.21 0.00 0.00 178.00 177.03 1yx3 h ALA 96 N -0.41 0.90 -0.12 -0.75 0.00 -1.91 -2.63 119.26 114.34 1yx3 h ALA 96 Ca 0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1yx3 h ALA 96 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yx3 h ALA 96 CO -0.38 0.63 -0.33 -0.22 0.00 0.00 0.00 179.25 178.95 1yx3 h LYS 97 N 0.46 0.43 -0.29 0.00 3.64 -1.79 -0.72 116.57 118.31 1yx3 h LYS 97 Ca 0.05 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1yx3 h LYS 97 Cb 0.86 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1yx3 h LYS 97 CO 0.07 0.92 -0.15 1.96 -2.27 0.00 0.00 179.45 179.98 1yx3 h GLN 98 N 0.01 0.62 -0.35 1.90 4.20 -0.99 -2.19 115.11 118.32 1yx3 h GLN 98 Ca -0.01 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 1yx3 h GLN 98 Cb 0.94 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1yx3 h GLN 98 CO 0.07 0.86 0.14 0.00 -0.67 0.00 0.00 178.83 179.23 1yx3 h ALA 99 N 0.75 0.45 0.00 3.87 0.00 -1.46 -1.78 119.26 121.09 1yx3 h ALA 99 Ca 0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1yx3 h ALA 99 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1yx3 h ALA 99 CO 0.05 0.05 -0.35 0.00 0.00 0.00 0.00 179.25 178.99 1yx3 h ARG 101 N 0.00 -0.02 -0.28 0.00 2.43 -0.86 0.14 114.38 115.79 1yx3 h ARG 101 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1yx3 h ARG 101 Cb 0.72 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1yx3 h ARG 101 CO 0.05 0.05 -0.08 0.74 -1.51 0.00 0.00 179.97 179.22 1yx3 h PHE 102 N -0.09 0.47 0.00 2.20 0.04 -0.92 -2.36 116.94 116.28 1yx3 h PHE 102 Ca -0.00 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 1yx3 h PHE 102 Cb 0.08 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1yx3 h PHE 102 CO -0.05 0.52 -0.29 0.00 -0.60 0.00 0.00 178.31 177.89 1yx3 h ALA 103 N 1.50 0.85 -0.03 2.45 0.00 -1.04 -3.34 119.26 119.64 1yx3 h ALA 103 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1yx3 h ALA 103 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1yx3 h ALA 103 CO 0.02 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1yx3 n GLY 104 N 0.94 0.93 3.61 0.00 0.00 0.25 -4.81 105.19 106.11 1yx3 n GLY 104 Ca 0.02 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1yx3 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx3 s LEU 105 N -0.03 4.09 -0.91 0.99 1.43 0.12 -4.47 118.68 119.90 1yx3 s LEU 105 Ca 0.00 0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 53.45 1yx3 s LEU 105 Cb 0.00 -3.07 -0.15 0.00 0.03 0.00 0.00 46.19 43.00 1yx3 s LEU 105 CO 0.00 -0.64 2.25 -2.16 0.23 0.00 0.00 176.35 176.03 1yx3 s PRO 106 N 2.99 1.63 -0.06 1.29 0.04 -1.26 -4.29 135.00 135.33 1yx3 s PRO 106 Ca 0.32 0.05 -0.05 0.00 0.04 0.00 0.00 61.00 61.36 1yx3 s PRO 106 Cb -0.14 -4.90 0.01 0.00 0.04 0.00 0.00 34.50 29.51 1yx3 s PRO 106 CO 0.13 -4.61 0.09 0.36 0.04 0.00 0.00 177.00 173.01 1yx3 n LYS 107 N 8.62 -0.43 -1.68 4.56 2.85 -1.26 -4.72 118.16 126.10 1yx3 n LYS 107 Ca 0.44 0.68 -0.52 0.00 -1.05 0.00 0.00 58.31 57.87 1yx3 n LYS 107 Cb 0.45 -0.90 -0.06 0.00 -0.65 0.00 0.00 35.03 33.88 1yx3 n LYS 107 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1yx3 n PRO 108 N 0.89 1.70 -2.85 -1.58 -0.04 -1.26 -4.90 135.00 126.97 1yx3 n PRO 108 Ca -0.01 0.62 -0.43 0.00 -0.04 0.00 0.00 63.50 63.64 1yx3 n PRO 108 Cb 0.42 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 1yx3 n PRO 108 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1yx3 s THR 109 N 2.98 4.54 -0.97 0.52 2.01 -1.26 -4.90 115.64 118.56 1yx3 s THR 109 Ca 0.92 -1.35 -0.23 0.00 0.31 0.00 0.00 61.69 61.33 1yx3 s THR 109 Cb -0.85 -4.84 0.05 0.00 0.01 0.00 0.00 72.50 66.88 1yx3 s THR 109 CO 0.54 -1.60 1.40 -0.83 -0.69 0.00 0.00 174.62 173.44 1yx3 s GLY 110 N 3.92 1.24 0.00 4.40 0.00 -1.26 -4.85 107.32 110.76 1yx3 s GLY 110 Ca 0.35 -2.14 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1yx3 s GLY 110 CO -0.09 2.64 0.00 0.00 0.00 0.00 0.00 173.10 175.65