#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 -1.68 -3.06 3.04 0.00 -1.26 -4.87 120.51 112.68 1yx3 n ALA 2 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1yx3 n ALA 2 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1yx3 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx3 n ASP 3 N -3.23 -0.10 -4.18 0.00 -0.08 -1.21 -4.92 116.55 102.83 1yx3 n ASP 3 Ca -0.02 -1.05 -0.31 0.00 -1.51 0.00 0.00 54.79 51.91 1yx3 n ASP 3 Cb 0.30 0.16 -0.17 0.00 2.34 0.00 0.00 41.12 43.75 1yx3 n ASP 3 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1yx3 s THR 4 N -2.46 1.93 -0.16 5.18 -4.23 -1.26 -2.29 115.64 112.35 1yx3 s THR 4 Ca 0.02 -0.93 -0.18 0.00 -1.18 0.00 0.00 61.69 59.41 1yx3 s THR 4 Cb -0.00 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 1yx3 s THR 4 CO 0.00 0.53 0.49 0.27 -0.54 0.00 0.00 174.62 175.38 1yx3 s ILE 5 N 0.49 5.15 -0.46 2.99 -4.36 0.14 -4.74 121.20 120.41 1yx3 s ILE 5 Ca -0.16 0.95 -0.18 0.00 -0.26 0.00 0.00 60.65 61.01 1yx3 s ILE 5 Cb -0.17 -3.83 0.04 0.00 1.25 0.00 0.00 42.46 39.75 1yx3 s ILE 5 CO 0.06 0.26 0.50 -0.70 0.24 0.00 0.00 174.94 175.30 1yx3 s GLU 6 N 1.09 3.09 -0.34 0.37 2.12 -1.26 0.11 118.70 123.88 1yx3 s GLU 6 Ca 0.25 -0.89 -0.12 0.00 0.36 0.00 0.00 54.97 54.56 1yx3 s GLU 6 Cb -0.15 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 30.18 1yx3 s GLU 6 CO 0.10 -1.02 0.23 0.08 -0.54 0.00 0.00 175.26 174.11 1yx3 s VAL 7 N 2.25 5.21 0.00 3.70 1.01 -0.20 -4.80 120.40 127.57 1yx3 s VAL 7 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1yx3 s VAL 7 Cb -0.19 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1yx3 s VAL 7 CO 0.12 0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.70 1yx3 n ASP 8 N 5.09 0.00 -0.18 3.32 9.92 -1.26 -2.15 116.55 131.29 1yx3 n ASP 8 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1yx3 n ASP 8 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yx3 n GLY 9 N 0.00 -0.50 3.16 0.44 0.00 -1.26 -5.09 105.19 101.94 1yx3 n GLY 9 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1yx3 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yx3 s LYS 10 N 0.00 2.21 -0.24 1.61 2.20 -0.92 -5.11 119.74 119.49 1yx3 s LYS 10 Ca 0.00 -0.69 -0.22 0.00 -0.36 0.00 0.00 55.97 54.71 1yx3 s LYS 10 Cb 0.00 -1.81 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1yx3 s LYS 10 CO 0.00 0.21 0.69 -0.65 -0.36 0.00 0.00 175.35 175.24 1yx3 s GLN 11 N 0.20 4.14 -0.21 4.03 -0.21 -1.26 -1.04 119.66 125.31 1yx3 s GLN 11 Ca -0.10 0.68 -0.09 0.00 0.02 0.00 0.00 55.36 55.87 1yx3 s GLN 11 Cb -0.14 -3.64 -0.05 0.00 1.00 0.00 0.00 33.01 30.18 1yx3 s GLN 11 CO 0.04 -0.43 0.11 -0.06 -2.12 0.00 0.00 175.29 172.84 1yx3 s PHE 12 N 2.55 3.31 -0.36 0.91 0.40 0.12 -4.88 117.98 120.03 1yx3 s PHE 12 Ca 0.29 0.17 -0.26 0.00 -0.60 0.00 0.00 56.93 56.53 1yx3 s PHE 12 Cb -0.15 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.22 1yx3 s PHE 12 CO 0.08 0.14 0.94 0.00 0.70 0.00 0.00 175.22 177.08 1yx3 s ALA 13 N 0.65 3.42 0.12 5.36 0.00 -1.26 -0.68 121.76 129.36 1yx3 s ALA 13 Ca 0.06 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.70 1yx3 s ALA 13 Cb -0.12 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1yx3 s ALA 13 CO 0.01 -1.59 -0.23 0.14 0.00 0.00 0.00 175.76 174.09 1yx3 s VAL 14 N 3.49 1.89 0.57 0.00 -7.23 -0.97 -1.13 120.40 117.03 1yx3 s VAL 14 Ca 0.39 -1.64 -0.16 0.00 -1.81 0.00 0.00 61.98 58.76 1yx3 s VAL 14 Cb -0.12 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 1yx3 s VAL 14 CO 0.18 -0.03 1.03 -0.62 -0.31 0.00 0.00 175.10 175.35 1yx3 s ASP 15 N -2.01 6.05 0.44 4.85 -1.08 0.83 -3.30 116.67 122.45 1yx3 s ASP 15 Ca 0.09 1.71 0.31 0.00 -0.52 0.00 0.00 52.55 54.14 1yx3 s ASP 15 Cb -0.10 -2.52 1.37 0.00 -1.46 0.00 0.00 42.92 40.21 1yx3 s ASP 15 CO 0.05 -0.98 1.91 -0.08 0.52 0.00 0.00 175.17 176.59 1yx3 h GLU 16 N 0.50 0.00 0.00 4.34 4.81 -1.89 0.29 114.58 122.64 1yx3 h GLU 16 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1yx3 h GLU 16 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1yx3 h GLU 16 CO 0.59 0.00 0.00 1.49 -0.73 0.00 0.00 179.01 180.36 1yx3 h GLU 17 N 0.00 0.00 -0.78 1.92 4.81 -2.01 -3.47 114.58 115.05 1yx3 h GLU 17 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yx3 h GLU 17 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1yx3 h GLU 17 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1yx3 n GLY 18 N -0.32 0.56 2.86 1.92 0.00 0.10 -5.12 105.19 105.20 1yx3 n GLY 18 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.84 -0.03 -0.17 1.61 2.02 -1.19 -4.77 117.35 112.97 1yx3 s TYR 19 Ca 0.00 0.16 -0.29 0.00 -0.37 0.00 0.00 57.07 56.57 1yx3 s TYR 19 Cb 0.00 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.43 1yx3 s TYR 19 CO 0.00 -0.06 1.83 -1.17 -1.57 0.00 0.00 175.55 174.57 1yx3 s LEU 20 N 0.53 3.89 0.27 -1.29 2.96 -1.26 -0.12 118.68 123.66 1yx3 s LEU 20 Ca -0.04 1.88 0.23 0.00 -0.22 0.00 0.00 54.13 55.98 1yx3 s LEU 20 Cb -0.06 -3.53 0.12 0.00 0.50 0.00 0.00 46.19 43.22 1yx3 s LEU 20 CO -0.02 -1.39 1.22 -1.28 -1.32 0.00 0.00 176.35 173.57 1yx3 h SER 21 N 11.74 0.00 -3.86 3.68 0.87 -1.45 -3.40 113.55 121.14 1yx3 h SER 21 Ca -0.38 -0.01 -0.74 0.00 -1.23 0.00 0.00 61.79 59.43 1yx3 h SER 21 Cb 1.19 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.84 1yx3 h SER 21 CO 0.98 0.00 -0.19 0.21 -0.53 0.00 0.00 176.83 177.31 1yx3 s ASN 22 N -5.55 5.92 -0.60 6.23 3.04 -1.19 -5.02 114.94 117.77 1yx3 s ASN 22 Ca 0.02 -2.62 -0.27 0.00 0.04 0.00 0.00 52.86 50.03 1yx3 s ASN 22 Cb 0.08 -2.02 0.03 0.00 -1.54 0.00 0.00 41.25 37.80 1yx3 s ASN 22 CO 0.75 -0.51 1.13 -0.76 -3.04 0.00 0.00 177.10 174.68 1yx3 s LEU 23 N 0.28 3.61 0.00 3.21 1.43 -1.26 -4.37 118.68 121.58 1yx3 s LEU 23 Ca 0.15 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1yx3 s LEU 23 Cb -0.17 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1yx3 s LEU 23 CO -0.05 -1.46 0.00 -3.20 0.23 0.00 0.00 176.35 171.87 1yx3 n ASN 24 N 8.29 0.00 0.00 2.29 2.85 -1.26 -5.08 115.26 122.35 1yx3 n ASN 24 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1yx3 n ASN 24 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1yx3 n ASN 24 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1yx3 n ASP 25 N -0.61 0.00 -1.71 1.20 2.03 -1.26 -5.14 116.55 111.05 1yx3 n ASP 25 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1yx3 n ASP 25 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1yx3 n ASP 25 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1yx3 n TRP 26 N -0.32 -2.56 -4.39 -0.67 -0.00 -1.26 -5.09 117.44 103.15 1yx3 n TRP 26 Ca 0.00 1.52 -0.25 0.00 -0.00 0.00 0.00 57.50 58.77 1yx3 n TRP 26 Cb 0.00 -2.98 -0.10 0.00 -0.00 0.00 0.00 31.31 28.23 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 -0.32 2.71 0.50 5.87 -7.23 -1.26 -5.03 120.40 115.65 1yx3 s VAL 27 Ca 0.00 -2.06 0.22 0.00 -1.81 0.00 0.00 61.98 58.32 1yx3 s VAL 27 Cb 0.00 -2.37 0.37 0.00 0.56 0.00 0.00 36.38 34.94 1yx3 s VAL 27 CO 0.00 -0.24 2.00 -0.65 -0.31 0.00 0.00 175.10 175.90 1yx3 h PRO 28 N 2.67 0.11 -0.61 4.82 0.11 -1.98 -0.51 132.00 136.60 1yx3 h PRO 28 Ca -0.44 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1yx3 h PRO 28 Cb 1.23 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1yx3 h PRO 28 CO 0.55 0.07 0.41 0.78 -0.21 0.00 0.00 178.00 179.59 1yx3 h GLY 29 N 0.11 0.75 0.77 -0.55 0.00 -1.99 -1.70 103.07 100.45 1yx3 h GLY 29 Ca 0.24 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1yx3 h GLY 29 CO -0.03 0.18 0.11 -2.08 0.00 0.00 0.00 176.54 174.72 1yx3 h VAL 30 N 0.60 0.93 -0.56 4.60 2.07 -1.48 -0.14 116.25 122.26 1yx3 h VAL 30 Ca 0.26 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.59 1yx3 h VAL 30 Cb 0.28 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1yx3 h VAL 30 CO -0.08 0.04 -0.08 0.00 0.02 0.00 0.00 177.57 177.47 1yx3 h ALA 31 N 1.18 0.76 -0.07 1.67 0.00 -1.50 -1.42 119.26 119.89 1yx3 h ALA 31 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yx3 h ALA 31 Cb 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1yx3 h ALA 31 CO -0.13 0.66 0.02 0.22 0.00 0.00 0.00 179.25 180.02 1yx3 h ASP 32 N 0.92 0.10 -0.40 0.00 3.58 -0.93 0.99 116.42 120.68 1yx3 h ASP 32 Ca 0.15 -0.22 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 1yx3 h ASP 32 Cb 0.65 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1yx3 h ASP 32 CO 0.04 0.29 0.01 0.58 -2.88 0.00 0.00 179.24 177.29 1yx3 h VAL 33 N -0.10 1.24 0.05 2.25 2.07 -1.03 0.32 116.25 121.05 1yx3 h VAL 33 Ca 0.02 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1yx3 h VAL 33 Cb 0.23 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1yx3 h VAL 33 CO -0.00 0.35 -0.03 -0.03 0.02 0.00 0.00 177.57 177.88 1yx3 h MET 34 N 0.74 -0.07 0.00 1.57 1.85 -1.04 -2.30 114.93 115.67 1yx3 h MET 34 Ca 0.15 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.21 1yx3 h MET 34 Cb 0.44 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.48 1yx3 h MET 34 CO 0.02 0.20 -0.16 0.00 -0.40 0.00 0.00 176.91 176.57 1yx3 h ALA 35 N 0.59 1.44 -0.41 0.39 0.00 -0.67 -0.87 119.26 119.73 1yx3 h ALA 35 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1yx3 h ALA 35 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1yx3 h ALA 35 CO 0.01 0.20 0.01 -0.22 0.00 0.00 0.00 179.25 179.24 1yx3 h LYS 36 N 0.00 0.65 0.07 0.00 1.63 -0.60 0.13 116.57 118.45 1yx3 h LYS 36 Ca -0.00 -0.15 -0.25 0.00 -0.85 0.00 0.00 60.65 59.39 1yx3 h LYS 36 Cb 0.34 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1yx3 h LYS 36 CO 0.02 0.66 -1.09 1.96 -3.45 0.00 0.00 179.45 177.55 1yx3 h GLN 37 N 0.62 0.36 0.00 1.90 4.20 -0.66 -3.13 115.11 118.39 1yx3 h GLN 37 Ca 0.13 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1yx3 h GLN 37 Cb 0.38 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1yx3 h GLN 37 CO 0.01 1.17 0.00 -0.25 -0.67 0.00 0.00 178.83 179.09 1yx3 n ASP 38 N -3.66 0.00 -2.09 1.46 8.00 -0.46 -4.89 116.55 114.91 1yx3 n ASP 38 Ca -0.08 0.16 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 1yx3 n ASP 38 Cb 0.93 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 41.66 1yx3 n ASP 38 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1yx3 n ASN 39 N -1.38 -4.96 -4.74 -2.24 4.05 0.26 -5.00 115.26 101.26 1yx3 n ASN 39 Ca 0.10 -0.11 -0.29 0.00 0.45 0.00 0.00 54.58 54.73 1yx3 n ASN 39 Cb 0.25 -3.95 -0.07 0.00 1.23 0.00 0.00 39.78 37.24 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 -4.95 3.63 0.21 1.20 2.96 -0.11 -5.03 118.68 116.59 1yx3 s LEU 40 Ca 0.10 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 53.67 1yx3 s LEU 40 Cb -0.05 -2.31 -0.08 0.00 0.50 0.00 0.00 46.19 44.25 1yx3 s LEU 40 CO 0.13 0.14 0.74 -1.61 -1.32 0.00 0.00 176.35 174.43 1yx3 s GLU 41 N -2.57 4.32 -0.54 1.98 0.41 -1.26 -4.53 118.70 116.51 1yx3 s GLU 41 Ca 0.28 0.94 0.02 0.00 -0.41 0.00 0.00 54.97 55.80 1yx3 s GLU 41 Cb -0.11 -2.94 0.14 0.00 -1.78 0.00 0.00 34.13 29.43 1yx3 s GLU 41 CO 0.21 0.42 0.30 -0.51 -0.49 0.00 0.00 175.26 175.19 1yx3 s LEU 42 N -1.82 4.58 0.00 1.80 1.43 -1.26 -4.91 118.68 118.50 1yx3 s LEU 42 Ca 0.42 -2.94 -0.02 0.00 -1.03 0.00 0.00 54.13 50.56 1yx3 s LEU 42 Cb -0.18 -1.70 0.12 0.00 0.03 0.00 0.00 46.19 44.46 1yx3 s LEU 42 CO 0.22 -0.27 0.82 0.35 0.23 0.00 0.00 176.35 177.70 1yx3 n THR 43 N 3.25 0.00 0.28 5.49 -2.24 -1.26 -4.80 114.28 115.00 1yx3 n THR 43 Ca 0.06 -1.20 0.14 0.00 -2.27 0.00 0.00 64.05 60.77 1yx3 n THR 43 Cb 0.34 -1.06 0.81 0.00 -2.10 0.00 0.00 70.33 68.32 1yx3 n THR 43 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1yx3 h GLU 44 N 0.00 0.00 -0.02 -0.78 3.07 -1.98 0.12 114.58 114.99 1yx3 h GLU 44 Ca -0.27 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1yx3 h GLU 44 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1yx3 h GLU 44 CO 0.28 0.07 -0.05 1.49 -1.40 0.00 0.00 179.01 179.39 1yx3 h GLU 45 N 0.00 0.07 0.07 2.33 4.57 -1.99 -2.00 114.58 117.63 1yx3 h GLU 45 Ca -0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1yx3 h GLU 45 Cb 0.19 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1yx3 h GLU 45 CO 0.01 0.66 -0.03 0.45 -1.18 0.00 0.00 179.01 178.92 1yx3 h HIS 46 N -0.51 -0.09 -0.32 0.92 3.86 -1.71 -1.99 115.15 115.30 1yx3 h HIS 46 Ca -0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1yx3 h HIS 46 Cb 0.66 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 1yx3 h HIS 46 CO 0.13 0.02 0.22 -1.49 0.86 0.00 0.00 177.93 177.67 1yx3 h TRP 47 N -0.17 0.38 -0.12 2.45 4.06 -0.89 0.09 115.95 121.74 1yx3 h TRP 47 Ca -0.01 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1yx3 h TRP 47 Cb 0.14 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1yx3 h TRP 47 CO -0.05 0.23 0.04 0.22 -3.56 0.00 0.00 178.44 175.32 1yx3 h ASP 48 N 0.40 0.17 -0.56 -3.49 1.82 -0.94 -0.13 116.42 113.70 1yx3 h ASP 48 Ca 0.12 -0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 56.53 1yx3 h ASP 48 Cb 0.01 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 1yx3 h ASP 48 CO -0.03 0.33 0.22 0.40 -1.61 0.00 0.00 179.24 178.56 1yx3 h ILE 49 N 0.00 1.22 0.00 2.25 1.08 -0.70 0.26 117.51 121.63 1yx3 h ILE 49 Ca 0.04 -0.69 0.02 0.00 -0.39 0.00 0.00 64.86 63.84 1yx3 h ILE 49 Cb 0.22 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1yx3 h ILE 49 CO -0.00 0.26 -0.11 0.40 -0.69 0.00 0.00 178.15 178.02 1yx3 h ILE 50 N 0.76 0.73 -0.26 -0.67 2.04 -0.86 -0.22 117.51 119.03 1yx3 h ILE 50 Ca 0.19 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.92 1yx3 h ILE 50 Cb 0.20 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1yx3 h ILE 50 CO -0.02 0.00 -0.36 -1.13 0.00 0.00 0.00 178.15 176.65 1yx3 h ASN 51 N -0.18 0.59 -0.94 1.72 -1.24 -0.86 -2.65 115.58 112.01 1yx3 h ASN 51 Ca 0.04 -0.25 -0.00 0.00 0.71 0.00 0.00 56.30 56.80 1yx3 h ASN 51 Cb 0.23 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 1yx3 h ASN 51 CO -0.11 0.90 0.58 0.15 -1.29 0.00 0.00 177.43 177.67 1yx3 h PHE 52 N 0.48 1.23 -0.55 0.67 3.57 -0.11 0.33 116.94 122.56 1yx3 h PHE 52 Ca 0.05 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1yx3 h PHE 52 Cb 0.84 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1yx3 h PHE 52 CO 0.03 0.81 0.13 -0.07 -2.23 0.00 0.00 178.31 176.98 1yx3 h LEU 53 N 1.30 0.84 -0.41 0.59 3.38 -0.82 0.22 115.31 120.41 1yx3 h LEU 53 Ca 0.34 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1yx3 h LEU 53 Cb -0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1yx3 h LEU 53 CO -0.07 0.86 0.16 -0.09 0.09 0.00 0.00 178.44 179.39 1yx3 h ARG 54 N 0.79 0.62 -0.25 1.13 2.43 -1.05 0.93 114.38 118.97 1yx3 h ARG 54 Ca 0.17 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1yx3 h ARG 54 Cb 0.35 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1yx3 h ARG 54 CO 0.00 0.59 -0.00 1.49 -1.51 0.00 0.00 179.97 180.54 1yx3 h GLU 55 N 0.52 0.07 -0.72 0.20 4.57 -0.10 0.29 114.58 119.41 1yx3 h GLU 55 Ca 0.14 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1yx3 h GLU 55 Cb 0.20 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1yx3 h GLU 55 CO -0.01 0.05 0.36 -0.92 -1.18 0.00 0.00 179.01 177.31 1yx3 h TYR 56 N 0.07 1.00 -0.11 0.92 5.03 -0.33 -1.00 116.97 122.55 1yx3 h TYR 56 Ca 0.12 -0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.19 1yx3 h TYR 56 Cb 0.16 -0.32 0.01 0.00 1.55 0.00 0.00 36.73 38.13 1yx3 h TYR 56 CO -0.20 0.71 -0.75 -0.92 -1.32 0.00 0.00 178.16 175.68 1yx3 h TYR 57 N 1.01 0.96 0.00 -3.82 3.20 -0.05 0.39 116.97 118.66 1yx3 h TYR 57 Ca 0.25 -0.45 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 1yx3 h TYR 57 Cb 0.07 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1yx3 h TYR 57 CO 0.01 1.27 -0.15 0.93 -1.64 0.00 0.00 178.16 178.58 1yx3 h GLU 58 N 0.38 0.00 0.00 1.82 5.08 -0.27 0.63 114.58 122.21 1yx3 h GLU 58 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1yx3 h GLU 58 Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1yx3 h GLU 58 CO 0.15 0.15 -0.86 0.39 -1.00 0.00 0.00 179.01 177.85 1yx3 n GLU 59 N -3.24 0.50 0.14 2.33 -0.58 -0.40 -4.63 120.64 114.76 1yx3 n GLU 59 Ca 0.01 0.40 0.09 0.00 -0.42 0.00 0.00 57.16 57.24 1yx3 n GLU 59 Cb 0.43 -1.59 0.06 0.00 -0.57 0.00 0.00 31.44 29.77 1yx3 n GLU 59 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1yx3 h TYR 60 N -1.00 0.00 -0.73 -0.32 -1.99 -0.35 -3.47 116.97 109.11 1yx3 h TYR 60 Ca -0.06 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.36 1yx3 h TYR 60 Cb 0.81 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.42 1yx3 h TYR 60 CO -0.27 0.15 -0.28 1.04 -0.00 0.00 0.00 178.16 178.79 1yx3 n GLN 61 N -2.94 -1.06 -5.13 4.88 1.13 0.21 -4.99 117.38 109.49 1yx3 n GLN 61 Ca 0.01 1.03 -0.32 0.00 -1.94 0.00 0.00 57.00 55.78 1yx3 n GLN 61 Cb 0.61 -5.18 -0.15 0.00 0.11 0.00 0.00 30.24 25.63 1yx3 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yx3 s ILE 62 N -2.56 2.48 -0.41 5.09 1.01 -1.26 -5.00 121.20 120.54 1yx3 s ILE 62 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 1yx3 s ILE 62 Cb 0.00 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1yx3 s ILE 62 CO 0.00 0.58 0.33 0.00 0.00 0.00 0.00 174.94 175.85 1yx3 s ALA 63 N -0.58 3.47 0.15 9.38 0.00 -1.26 -4.11 121.76 128.82 1yx3 s ALA 63 Ca 0.09 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 50.05 1yx3 s ALA 63 Cb -0.11 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 1yx3 s ALA 63 CO 0.00 -1.49 1.59 -2.14 0.00 0.00 0.00 175.76 173.72 1yx3 s PRO 64 N 1.77 4.21 0.38 0.00 0.02 -1.26 -4.88 135.00 135.24 1yx3 s PRO 64 Ca 0.06 2.37 -0.06 0.00 0.02 0.00 0.00 61.00 63.40 1yx3 s PRO 64 Cb -0.19 -3.21 0.09 0.00 0.02 0.00 0.00 34.50 31.21 1yx3 s PRO 64 CO 0.11 -0.63 0.52 0.00 -0.33 0.00 0.00 177.00 176.66 1yx3 n ALA 65 N 4.20 -0.51 -0.05 -1.55 0.00 -1.26 -4.62 120.51 116.71 1yx3 n ALA 65 Ca 0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 53.44 52.86 1yx3 n ALA 65 Cb 0.39 -0.01 0.26 0.00 0.00 0.00 0.00 19.45 20.09 1yx3 n ALA 65 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1yx3 h VAL 66 N -1.18 1.20 0.00 0.00 3.04 -1.85 0.12 116.25 117.59 1yx3 h VAL 66 Ca -0.17 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1yx3 h VAL 66 Cb 0.48 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1yx3 h VAL 66 CO 0.13 0.27 -0.26 0.54 -1.01 0.00 0.00 177.57 177.24 1yx3 n ARG 67 N -4.29 0.12 -0.06 4.17 1.74 -1.26 -3.73 116.66 113.35 1yx3 n ARG 67 Ca 0.03 0.07 -0.21 0.00 -0.77 0.00 0.00 57.85 56.97 1yx3 n ARG 67 Cb 0.22 -1.61 -0.13 0.00 -1.02 0.00 0.00 32.46 29.93 1yx3 n ARG 67 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1yx3 n VAL 68 N -1.80 1.64 -0.35 1.55 0.31 -0.54 -4.18 118.33 114.95 1yx3 n VAL 68 Ca 0.06 -0.56 -0.01 0.00 -0.01 0.00 0.00 64.34 63.81 1yx3 n VAL 68 Cb 0.38 -1.64 0.14 0.00 -0.91 0.00 0.00 33.84 31.81 1yx3 n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1yx3 h LEU 69 N -0.10 1.09 -0.58 7.52 5.85 -0.93 -2.07 115.31 126.10 1yx3 h LEU 69 Ca -0.50 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.22 1yx3 h LEU 69 Cb 1.91 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 1yx3 h LEU 69 CO -0.03 0.78 0.37 0.71 -0.34 0.00 0.00 178.44 179.93 1yx3 h THR 70 N 1.29 1.10 -0.60 1.05 1.35 -1.76 1.00 112.91 116.34 1yx3 h THR 70 Ca 0.36 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.92 1yx3 h THR 70 Cb -0.12 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 66.58 1yx3 h THR 70 CO -0.09 0.13 0.19 0.11 -0.25 0.00 0.00 175.52 175.62 1yx3 h LYS 71 N 0.73 0.93 -0.10 4.72 1.57 -1.61 -1.04 116.57 121.78 1yx3 h LYS 71 Ca 0.23 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1yx3 h LYS 71 Cb -0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1yx3 h LYS 71 CO -0.08 0.83 -0.01 0.00 -0.57 0.00 0.00 179.45 179.62 1yx3 h ALA 72 N 1.06 0.13 -0.80 3.86 0.00 -0.84 -2.60 119.26 120.06 1yx3 h ALA 72 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yx3 h ALA 72 Cb 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1yx3 h ALA 72 CO -0.01 -0.17 0.39 0.28 0.00 0.00 0.00 179.25 179.74 1yx3 h VAL 73 N -0.12 1.25 -0.16 0.00 2.07 -0.78 -2.15 116.25 116.35 1yx3 h VAL 73 Ca 0.03 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1yx3 h VAL 73 Cb 0.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1yx3 h VAL 73 CO 0.01 0.30 0.02 1.23 0.02 0.00 0.00 177.57 179.14 1yx3 h GLY 74 N 1.16 0.24 1.17 2.17 0.00 -1.06 -2.52 103.07 104.24 1yx3 h GLY 74 Ca 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1yx3 h GLY 74 CO -0.04 0.10 -0.97 0.50 0.00 0.00 0.00 176.54 176.14 1yx3 h LYS 75 N 0.23 0.00 0.07 4.80 1.57 -1.05 -3.22 116.57 118.97 1yx3 h LYS 75 Ca 0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.61 1yx3 h LYS 75 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.45 1yx3 h LYS 75 CO -0.00 0.11 -0.92 -0.22 -0.57 0.00 0.00 179.45 177.85 1yx3 h LYS 76 N 0.00 0.49 0.00 3.15 3.64 -1.02 -3.22 116.57 119.61 1yx3 h LYS 76 Ca -0.04 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1yx3 h LYS 76 Cb 1.19 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1yx3 h LYS 76 CO 0.02 1.25 0.00 1.28 -2.27 0.00 0.00 179.45 179.73 1yx3 n LEU 77 N -4.02 0.00 0.00 5.20 7.99 -0.98 -4.90 117.00 120.29 1yx3 n LEU 77 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1yx3 n LEU 77 Cb 0.84 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 1yx3 n LEU 77 CO 0.52 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 1yx3 n GLY 78 N 0.91 1.76 3.89 -0.72 0.00 -1.22 -4.88 105.19 104.93 1yx3 n GLY 78 Ca 0.21 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yx3 s LYS 79 N 0.00 3.68 -0.85 1.61 1.02 -1.25 -4.77 119.74 119.17 1yx3 s LYS 79 Ca 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 55.97 55.82 1yx3 s LYS 79 Cb 0.00 -2.82 -0.13 0.00 -0.52 0.00 0.00 37.83 34.37 1yx3 s LYS 79 CO 0.00 0.44 1.98 0.39 -0.92 0.00 0.00 175.35 177.24 1yx3 n GLU 80 N 0.12 1.70 -0.07 1.68 4.71 -1.22 -4.56 120.64 123.00 1yx3 n GLU 80 Ca -0.02 -1.87 -0.15 0.00 -0.01 0.00 0.00 57.16 55.11 1yx3 n GLU 80 Cb 0.52 -2.90 -0.05 0.00 -1.01 0.00 0.00 31.44 28.00 1yx3 n GLU 80 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1yx3 h LYS 81 N 7.53 0.80 -1.82 3.49 3.64 -1.84 -3.15 116.57 125.22 1yx3 h LYS 81 Ca 0.45 -0.51 -0.48 0.00 -1.27 0.00 0.00 60.65 58.84 1yx3 h LYS 81 Cb 0.61 0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 32.31 1yx3 h LYS 81 CO 1.90 1.14 0.45 0.41 -2.27 0.00 0.00 179.45 181.09 1yx3 n GLY 82 N 0.38 4.42 0.10 5.01 0.00 -1.26 -4.39 105.19 109.45 1yx3 n GLY 82 Ca -0.05 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1yx3 n GLY 82 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1yx3 h ASN 83 N 2.54 0.21 0.00 1.61 -1.24 -1.81 -3.41 115.58 113.48 1yx3 h ASN 83 Ca 0.39 -0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1yx3 h ASN 83 Cb 0.74 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1yx3 h ASN 83 CO 0.91 0.43 0.00 -1.54 -1.29 0.00 0.00 177.43 175.94 1yx3 n SER 84 N -4.81 0.00 -0.30 1.15 3.41 -1.26 -4.87 113.62 106.94 1yx3 n SER 84 Ca -0.06 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.60 1yx3 n SER 84 Cb 0.19 0.37 0.19 0.00 -0.26 0.00 0.00 64.21 64.70 1yx3 n SER 84 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1yx3 h LYS 85 N 0.00 0.72 -0.22 4.33 1.79 -1.91 -2.00 116.57 119.28 1yx3 h LYS 85 Ca 0.00 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1yx3 h LYS 85 Cb 0.00 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 1yx3 h LYS 85 CO 0.00 0.48 0.07 -0.92 -1.08 0.00 0.00 179.45 178.00 1yx3 h TYR 86 N 0.74 0.36 -0.05 -1.35 3.20 -1.91 0.12 116.97 118.09 1yx3 h TYR 86 Ca 0.43 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.16 1yx3 h TYR 86 Cb 0.47 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1yx3 h TYR 86 CO -0.07 0.42 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.38 1yx3 h LEU 87 N 0.19 0.11 -0.70 2.82 3.38 -1.78 0.03 115.31 119.37 1yx3 h LEU 87 Ca 0.07 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1yx3 h LEU 87 Cb 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1yx3 h LEU 87 CO -0.00 0.53 -0.30 0.22 0.09 0.00 0.00 178.44 178.97 1yx3 h TYR 88 N 0.09 0.00 0.06 1.13 3.20 -0.90 0.11 116.97 120.66 1yx3 h TYR 88 Ca 0.01 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.62 1yx3 h TYR 88 Cb 0.79 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1yx3 h TYR 88 CO 0.01 0.30 -1.26 0.77 -1.64 0.00 0.00 178.16 176.34 1yx3 h SER 89 N 0.00 0.18 -0.18 -2.11 0.02 -0.17 -2.95 113.55 108.34 1yx3 h SER 89 Ca -0.00 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1yx3 h SER 89 Cb 0.96 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1yx3 h SER 89 CO 0.04 1.18 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.76 1yx3 h LEU 90 N 0.03 0.38 -7.08 5.07 3.38 -0.71 -3.40 115.31 112.98 1yx3 h LEU 90 Ca -0.12 -0.40 -0.61 0.00 0.09 0.00 0.00 57.88 56.84 1yx3 h LEU 90 Cb 1.90 -0.10 -0.40 0.00 0.09 0.00 0.00 40.66 42.14 1yx3 h LEU 90 CO 0.15 0.69 -0.73 -0.36 0.09 0.00 0.00 178.44 178.28 1yx3 s PHE 91 N -4.62 2.09 -0.32 1.13 0.08 0.37 -4.95 117.98 111.76 1yx3 s PHE 91 Ca -0.14 -2.37 0.27 0.00 0.12 0.00 0.00 56.93 54.81 1yx3 s PHE 91 Cb 0.06 -1.96 1.07 0.00 -0.57 0.00 0.00 43.02 41.62 1yx3 s PHE 91 CO 0.75 -0.81 1.80 -1.35 -0.10 0.00 0.00 175.22 175.50 1yx3 h PRO 92 N 7.01 0.00 -0.63 0.24 0.11 -1.74 -2.32 132.00 134.67 1yx3 h PRO 92 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1yx3 h PRO 92 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1yx3 h PRO 92 CO 0.49 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.26 1yx3 n TYR 93 N -2.51 1.16 0.00 0.65 9.36 -1.26 -4.93 117.16 119.63 1yx3 n TYR 93 Ca 0.02 -0.48 0.00 0.00 3.32 0.00 0.00 57.90 60.75 1yx3 n TYR 93 Cb 0.27 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1yx3 n GLY 94 N 1.15 2.97 0.48 2.98 0.00 -0.88 -4.67 105.19 107.22 1yx3 n GLY 94 Ca 0.22 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.71 -0.33 1.61 0.11 -1.76 0.96 132.00 131.89 1yx3 h PRO 95 Ca 0.00 0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 1yx3 h PRO 95 Cb 0.00 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1yx3 h PRO 95 CO 0.00 -0.47 -0.33 0.00 -0.21 0.00 0.00 178.00 176.99 1yx3 h ALA 96 N -0.52 0.81 0.22 -0.75 0.00 -1.90 -2.48 119.26 114.64 1yx3 h ALA 96 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1yx3 h ALA 96 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yx3 h ALA 96 CO -0.30 0.64 -0.22 0.87 0.00 0.00 0.00 179.25 180.24 1yx3 h LYS 97 N 0.61 -0.46 0.01 0.00 1.79 -1.73 -1.64 116.57 115.15 1yx3 h LYS 97 Ca 0.07 0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.36 1yx3 h LYS 97 Cb 0.85 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 1yx3 h LYS 97 CO 0.07 -0.31 -0.98 1.96 -1.08 0.00 0.00 179.45 179.12 1yx3 h GLN 98 N -0.48 0.03 -0.02 3.15 1.08 -0.90 -2.26 115.11 115.71 1yx3 h GLN 98 Ca -0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1yx3 h GLN 98 Cb 0.45 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1yx3 h GLN 98 CO -0.05 0.98 0.01 0.00 -0.95 0.00 0.00 178.83 178.82 1yx3 h ALA 99 N 1.00 0.03 0.00 3.87 0.00 -1.34 -2.60 119.26 120.22 1yx3 h ALA 99 Ca -0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1yx3 h ALA 99 Cb 1.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1yx3 h ALA 99 CO 0.13 -0.38 -0.52 0.00 0.00 0.00 0.00 179.25 178.48 1yx3 h ARG 101 N 0.00 -0.15 0.00 0.00 2.43 -1.13 0.24 114.38 115.77 1yx3 h ARG 101 Ca -0.01 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1yx3 h ARG 101 Cb 0.94 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1yx3 h ARG 101 CO 0.07 -0.10 -0.67 0.74 -1.51 0.00 0.00 179.97 178.49 1yx3 h PHE 102 N -0.16 0.00 0.00 2.20 0.04 -1.35 -3.21 116.94 114.46 1yx3 h PHE 102 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1yx3 h PHE 102 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1yx3 h PHE 102 CO -0.47 0.57 0.00 0.00 -0.60 0.00 0.00 178.31 177.81 1yx3 h ALA 103 N 1.43 1.00 0.00 2.45 0.00 -0.53 -3.40 119.26 120.21 1yx3 h ALA 103 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yx3 h ALA 103 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1yx3 h ALA 103 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1yx3 n GLY 104 N 0.64 0.68 3.65 0.00 0.00 0.65 -4.82 105.19 105.99 1yx3 n GLY 104 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.00 -1.25 0.99 1.43 -0.07 -4.46 118.68 119.33 1yx3 s LEU 105 Ca 0.00 1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 54.07 1yx3 s LEU 105 Cb 0.00 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1yx3 s LEU 105 CO 0.00 -0.79 1.81 -2.16 0.23 0.00 0.00 176.35 175.45 1yx3 s PRO 106 N 3.45 3.39 -0.22 1.29 0.04 -1.26 -4.32 135.00 137.37 1yx3 s PRO 106 Ca 0.44 -1.66 -0.02 0.00 0.04 0.00 0.00 61.00 59.80 1yx3 s PRO 106 Cb -0.13 -5.42 0.01 0.00 0.04 0.00 0.00 34.50 28.99 1yx3 s PRO 106 CO 0.12 -2.94 0.04 1.17 0.04 0.00 0.00 177.00 175.42 1yx3 n LYS 107 N 8.36 -2.91 -1.41 4.56 4.81 -1.26 -4.92 118.16 125.39 1yx3 n LYS 107 Ca 0.47 2.40 -0.34 0.00 -0.87 0.00 0.00 58.31 59.97 1yx3 n LYS 107 Cb 0.46 -4.37 0.07 0.00 0.02 0.00 0.00 35.03 31.21 1yx3 n LYS 107 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1yx3 n PRO 108 N 0.71 2.63 -2.13 1.64 -0.04 -1.26 -4.95 135.00 131.60 1yx3 n PRO 108 Ca -0.07 -3.19 -0.30 0.00 -0.04 0.00 0.00 63.50 59.89 1yx3 n PRO 108 Cb 0.11 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.28 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 -4.65 3.51 -0.20 0.52 2.01 -1.26 -4.20 115.64 111.37 1yx3 s THR 109 Ca 0.60 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 1yx3 s THR 109 Cb 0.48 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1yx3 s THR 109 CO -0.09 -1.10 -0.07 -0.83 -0.69 0.00 0.00 174.62 171.85 1yx3 s GLY 110 N 7.53 1.59 0.07 4.40 0.00 -1.26 -4.97 107.32 114.67 1yx3 s GLY 110 Ca 0.66 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 44.32 1yx3 s GLY 110 CO 0.01 0.31 1.09 0.00 0.00 0.00 0.00 173.10 174.50