#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 0.00 -3.80 3.04 0.00 -1.26 -4.96 120.51 113.53 1yx3 n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1yx3 n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yx3 n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yx3 s ASP 3 N -4.00 -0.10 -0.05 0.00 -1.08 -0.82 -4.77 116.67 105.85 1yx3 s ASP 3 Ca 0.00 -0.55 0.01 0.00 -0.52 0.00 0.00 52.55 51.49 1yx3 s ASP 3 Cb 0.00 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 42.00 1yx3 s ASP 3 CO 0.00 -0.99 -0.07 0.42 0.52 0.00 0.00 175.17 175.06 1yx3 s THR 4 N -2.85 0.72 -0.14 1.71 -4.23 -1.26 0.01 115.64 109.60 1yx3 s THR 4 Ca 0.16 -0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1yx3 s THR 4 Cb -0.02 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 73.06 1yx3 s THR 4 CO 0.04 0.27 0.22 0.27 -0.54 0.00 0.00 174.62 174.87 1yx3 s ILE 5 N 0.89 5.36 -0.54 2.99 -4.36 -0.24 -4.86 121.20 120.45 1yx3 s ILE 5 Ca -0.11 0.38 -0.20 0.00 -0.26 0.00 0.00 60.65 60.46 1yx3 s ILE 5 Cb -0.15 -3.53 0.07 0.00 1.25 0.00 0.00 42.46 40.10 1yx3 s ILE 5 CO 0.01 0.50 0.69 -1.61 0.24 0.00 0.00 174.94 174.77 1yx3 s GLU 6 N -0.24 3.13 -0.77 0.37 8.01 -1.26 -0.69 118.70 127.24 1yx3 s GLU 6 Ca 0.15 -0.91 -0.16 0.00 0.01 0.00 0.00 54.97 54.05 1yx3 s GLU 6 Cb -0.13 -4.13 0.17 0.00 -4.31 0.00 0.00 34.13 25.73 1yx3 s GLU 6 CO 0.04 -1.34 0.79 0.08 0.01 0.00 0.00 175.26 174.84 1yx3 s VAL 7 N 2.84 5.27 -1.21 2.63 1.01 0.12 -4.44 120.40 126.62 1yx3 s VAL 7 Ca 0.16 -1.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.12 1yx3 s VAL 7 Cb -0.19 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.68 1yx3 s VAL 7 CO 0.11 -1.12 1.05 -0.67 0.00 0.00 0.00 175.10 174.47 1yx3 n ASP 8 N 4.99 -5.18 0.00 3.32 2.03 -1.26 -1.92 116.55 118.53 1yx3 n ASP 8 Ca 0.09 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.89 1yx3 n ASP 8 Cb 0.46 -4.64 0.00 0.00 -0.72 0.00 0.00 41.12 36.21 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 -1.72 3.00 3.64 0.27 0.00 -1.26 -5.01 105.19 104.10 1yx3 n GLY 9 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.58 4.13 -0.09 1.61 2.20 -0.81 -4.99 119.74 121.23 1yx3 s LYS 10 Ca 0.00 0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.87 1yx3 s LYS 10 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1yx3 s LYS 10 CO 0.00 -0.30 0.54 -0.65 -0.36 0.00 0.00 175.35 174.58 1yx3 s GLN 11 N 2.12 4.34 -0.20 4.03 -0.21 -1.26 0.11 119.66 128.59 1yx3 s GLN 11 Ca 0.24 0.58 0.02 0.00 0.02 0.00 0.00 55.36 56.21 1yx3 s GLN 11 Cb -0.16 -3.41 0.03 0.00 1.00 0.00 0.00 33.01 30.47 1yx3 s GLN 11 CO 0.09 0.19 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.22 1yx3 s PHE 12 N 0.46 2.92 0.03 0.91 0.40 0.14 -4.93 117.98 117.90 1yx3 s PHE 12 Ca 0.29 -1.84 -0.30 0.00 -0.60 0.00 0.00 56.93 54.48 1yx3 s PHE 12 Cb -0.16 -1.92 -0.06 0.00 0.51 0.00 0.00 43.02 41.38 1yx3 s PHE 12 CO 0.13 -0.83 1.45 0.00 0.70 0.00 0.00 175.22 176.67 1yx3 s ALA 13 N 1.24 3.60 0.24 5.36 0.00 -1.26 -1.08 121.76 129.86 1yx3 s ALA 13 Ca 0.01 0.97 0.12 0.00 0.00 0.00 0.00 51.96 53.06 1yx3 s ALA 13 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1yx3 s ALA 13 CO -0.11 -0.91 -0.22 0.14 0.00 0.00 0.00 175.76 174.67 1yx3 s VAL 14 N 2.29 2.38 0.63 0.00 -7.23 0.10 -1.08 120.40 117.49 1yx3 s VAL 14 Ca 0.66 -2.22 -0.13 0.00 -1.81 0.00 0.00 61.98 58.47 1yx3 s VAL 14 Cb -0.34 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1yx3 s VAL 14 CO 0.28 -0.28 1.05 -0.62 -0.31 0.00 0.00 175.10 175.22 1yx3 s ASP 15 N -3.11 5.75 0.46 4.85 -1.08 0.14 -1.94 116.67 121.75 1yx3 s ASP 15 Ca 0.25 1.67 0.31 0.00 -0.52 0.00 0.00 52.55 54.26 1yx3 s ASP 15 Cb -0.06 -2.51 1.40 0.00 -1.46 0.00 0.00 42.92 40.29 1yx3 s ASP 15 CO 0.12 -1.19 1.93 -0.08 0.52 0.00 0.00 175.17 176.48 1yx3 h GLU 16 N -0.07 0.00 -0.07 4.34 4.81 -1.86 0.62 114.58 122.35 1yx3 h GLU 16 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 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 0.58 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 179.25 1yx3 n GLU 17 N -2.76 1.47 0.00 1.92 -0.58 -1.26 -4.91 120.64 114.51 1yx3 n GLU 17 Ca 0.00 -0.70 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 1yx3 n GLU 17 Cb 0.22 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1yx3 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yx3 n GLY 18 N 1.06 1.58 3.73 0.62 0.00 0.21 -5.05 105.19 107.34 1yx3 n GLY 18 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.45 3.68 0.23 1.61 2.02 -1.25 -4.74 117.35 116.45 1yx3 s TYR 19 Ca 0.00 1.66 -0.32 0.00 -0.37 0.00 0.00 57.07 58.05 1yx3 s TYR 19 Cb 0.00 -3.19 -0.12 0.00 -0.40 0.00 0.00 41.96 38.25 1yx3 s TYR 19 CO 0.00 -0.30 1.65 -0.11 -1.57 0.00 0.00 175.55 175.22 1yx3 n LEU 20 N 2.66 3.98 -0.84 -1.29 7.94 -1.25 0.28 117.00 128.49 1yx3 n LEU 20 Ca 0.03 1.09 0.10 0.00 -1.11 0.00 0.00 56.01 56.13 1yx3 n LEU 20 Cb 0.47 -1.56 0.10 0.00 0.53 0.00 0.00 43.42 42.96 1yx3 n LEU 20 CO 0.53 0.09 0.58 -0.24 -1.11 0.00 0.00 177.39 177.24 1yx3 n SER 21 N 3.25 2.76 -3.90 1.96 2.88 -0.24 -4.42 113.62 115.91 1yx3 n SER 21 Ca 0.14 -1.85 -0.30 0.00 -1.33 0.00 0.00 58.87 55.52 1yx3 n SER 21 Cb 0.35 -0.03 -0.15 0.00 -0.75 0.00 0.00 64.21 63.62 1yx3 n SER 21 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1yx3 s ASN 22 N -1.63 3.91 -0.33 -3.46 3.84 -1.10 -4.95 114.94 111.23 1yx3 s ASN 22 Ca 0.25 -1.35 0.09 0.00 0.21 0.00 0.00 52.86 52.06 1yx3 s ASN 22 Cb 0.17 -1.13 0.74 0.00 -0.55 0.00 0.00 41.25 40.49 1yx3 s ASN 22 CO 0.26 -0.29 1.81 0.18 -2.79 0.00 0.00 177.10 176.26 1yx3 n LEU 23 N 4.68 6.12 0.04 3.21 4.77 -1.26 -4.42 117.00 130.13 1yx3 n LEU 23 Ca -0.08 -3.18 -0.09 0.00 -0.03 0.00 0.00 56.01 52.63 1yx3 n LEU 23 Cb 0.44 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 1yx3 n LEU 23 CO 0.17 0.80 -0.08 -1.13 -1.33 0.00 0.00 177.39 175.82 1yx3 h ASN 24 N 2.63 0.06 0.00 -1.43 -0.73 -1.99 -3.45 115.58 110.67 1yx3 h ASN 24 Ca 0.28 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1yx3 h ASN 24 Cb 2.35 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 40.92 1yx3 h ASN 24 CO 0.75 1.06 0.00 -0.67 -0.37 0.00 0.00 177.43 178.20 1yx3 n ASP 25 N -3.29 0.00 -1.23 1.15 2.03 -1.26 -5.16 116.55 108.79 1yx3 n ASP 25 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1yx3 n ASP 25 Cb 0.98 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 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 -1.06 -2.75 -4.27 -0.67 -0.00 -1.26 -5.10 117.44 102.33 1yx3 n TRP 26 Ca 0.00 1.56 -0.15 0.00 -0.00 0.00 0.00 57.50 58.91 1yx3 n TRP 26 Cb 0.00 -2.85 -0.10 0.00 -0.00 0.00 0.00 31.31 28.36 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 -0.86 1.32 0.48 5.87 -7.23 -1.26 -5.04 120.40 113.68 1yx3 s VAL 27 Ca 0.00 -2.09 0.22 0.00 -1.81 0.00 0.00 61.98 58.30 1yx3 s VAL 27 Cb 0.00 -1.88 0.39 0.00 0.56 0.00 0.00 36.38 35.45 1yx3 s VAL 27 CO 0.00 -0.69 1.93 -0.65 -0.31 0.00 0.00 175.10 175.37 1yx3 h PRO 28 N 2.75 0.21 0.00 4.82 0.11 -1.99 -0.37 132.00 137.54 1yx3 h PRO 28 Ca -0.37 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1yx3 h PRO 28 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1yx3 h PRO 28 CO 0.63 0.14 -0.05 0.78 -0.21 0.00 0.00 178.00 179.29 1yx3 h GLY 29 N 0.22 0.00 0.96 -0.55 0.00 -1.98 -2.45 103.07 99.25 1yx3 h GLY 29 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1yx3 h GLY 29 CO -0.07 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.38 1yx3 h VAL 30 N 0.00 1.01 -0.30 4.60 2.07 -1.44 -0.60 116.25 121.59 1yx3 h VAL 30 Ca -0.00 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1yx3 h VAL 30 Cb 0.11 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1yx3 h VAL 30 CO 0.01 0.03 -0.32 0.00 0.02 0.00 0.00 177.57 177.30 1yx3 h ALA 31 N 0.91 0.88 0.22 1.67 0.00 -1.61 -1.26 119.26 120.07 1yx3 h ALA 31 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1yx3 h ALA 31 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yx3 h ALA 31 CO 0.00 0.63 -0.11 0.22 0.00 0.00 0.00 179.25 180.00 1yx3 h ASP 32 N 0.55 -0.26 -0.44 0.00 3.58 -1.20 0.53 116.42 119.18 1yx3 h ASP 32 Ca 0.06 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 1yx3 h ASP 32 Cb 0.82 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1yx3 h ASP 32 CO 0.07 -0.11 -0.17 0.58 -2.88 0.00 0.00 179.24 176.73 1yx3 h VAL 33 N -0.39 1.27 0.32 2.25 2.07 -1.11 -2.29 116.25 118.37 1yx3 h VAL 33 Ca -0.03 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1yx3 h VAL 33 Cb 0.30 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1yx3 h VAL 33 CO 0.05 0.45 -0.15 -0.03 0.02 0.00 0.00 177.57 177.91 1yx3 h MET 34 N 0.82 -0.41 0.00 1.57 1.85 -1.08 -2.70 114.93 114.97 1yx3 h MET 34 Ca 0.12 0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.20 1yx3 h MET 34 Cb 0.72 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.83 1yx3 h MET 34 CO 0.05 -0.13 -0.17 0.00 -0.40 0.00 0.00 176.91 176.26 1yx3 h ALA 35 N -0.11 1.50 -0.55 0.39 0.00 -0.94 -1.07 119.26 118.47 1yx3 h ALA 35 Ca -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1yx3 h ALA 35 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1yx3 h ALA 35 CO 0.07 0.22 0.20 -0.22 0.00 0.00 0.00 179.25 179.52 1yx3 h LYS 36 N 0.00 0.80 -0.30 0.00 3.64 -1.26 0.16 116.57 119.61 1yx3 h LYS 36 Ca -0.00 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1yx3 h LYS 36 Cb 0.36 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1yx3 h LYS 36 CO 0.02 0.67 -0.36 1.96 -2.27 0.00 0.00 179.45 179.47 1yx3 h GLN 37 N 0.79 0.69 0.00 1.90 4.20 -0.88 -2.57 115.11 119.24 1yx3 h GLN 37 Ca 0.19 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1yx3 h GLN 37 Cb 0.18 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1yx3 h GLN 37 CO -0.01 0.95 0.00 -0.25 -0.67 0.00 0.00 178.83 178.84 1yx3 n ASP 38 N -4.05 0.00 -2.05 1.46 8.00 -0.68 -4.89 116.55 114.34 1yx3 n ASP 38 Ca -0.01 -0.64 -0.17 0.00 0.71 0.00 0.00 54.79 54.68 1yx3 n ASP 38 Cb 0.50 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1yx3 n ASP 38 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1yx3 n ASN 39 N -1.12 -5.01 -4.50 -2.24 5.03 0.25 -4.98 115.26 102.69 1yx3 n ASN 39 Ca 0.20 -0.08 -0.36 0.00 0.87 0.00 0.00 54.58 55.21 1yx3 n ASN 39 Cb 0.16 -4.04 -0.12 0.00 -1.02 0.00 0.00 39.78 34.76 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1yx3 s LEU 40 N -4.97 3.55 -0.49 3.41 2.96 0.30 -5.01 118.68 118.44 1yx3 s LEU 40 Ca 0.07 -0.13 -0.27 0.00 -0.22 0.00 0.00 54.13 53.57 1yx3 s LEU 40 Cb -0.03 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1yx3 s LEU 40 CO 0.08 0.01 1.06 -1.61 -1.32 0.00 0.00 176.35 174.57 1yx3 s GLU 41 N 1.36 3.61 -0.39 1.98 0.41 -1.26 -4.37 118.70 120.05 1yx3 s GLU 41 Ca 0.05 0.34 -0.27 0.00 -0.41 0.00 0.00 54.97 54.69 1yx3 s GLU 41 Cb -0.15 -3.93 0.02 0.00 -1.78 0.00 0.00 34.13 28.29 1yx3 s GLU 41 CO 0.04 -1.36 0.97 -0.51 -0.49 0.00 0.00 175.26 173.91 1yx3 s LEU 42 N 4.23 3.94 0.00 1.80 1.43 -1.26 -4.99 118.68 123.83 1yx3 s LEU 42 Ca 0.43 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1yx3 s LEU 42 Cb -0.08 -3.33 0.04 0.00 0.03 0.00 0.00 46.19 42.85 1yx3 s LEU 42 CO 0.29 -0.93 0.32 0.35 0.23 0.00 0.00 176.35 176.61 1yx3 n THR 43 N 6.12 0.00 -0.31 5.49 -2.24 -1.26 -4.87 114.28 117.22 1yx3 n THR 43 Ca 0.08 -0.64 0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1yx3 n THR 43 Cb 0.48 -0.99 0.24 0.00 -2.10 0.00 0.00 70.33 67.95 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 1.00 -0.59 -0.78 5.08 -1.99 -1.27 114.58 116.02 1yx3 h GLU 44 Ca -0.11 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1yx3 h GLU 44 Cb 0.45 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1yx3 h GLU 44 CO 0.13 0.66 0.16 0.93 -1.00 0.00 0.00 179.01 179.90 1yx3 h GLU 45 N 1.03 0.93 -0.04 2.33 3.07 -1.99 -1.83 114.58 118.08 1yx3 h GLU 45 Ca 0.40 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1yx3 h GLU 45 Cb 0.21 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1yx3 h GLU 45 CO -0.15 0.85 0.00 0.45 -1.40 0.00 0.00 179.01 178.76 1yx3 h HIS 46 N 0.85 0.07 -1.00 4.33 3.86 -1.68 -2.47 115.15 119.12 1yx3 h HIS 46 Ca 0.19 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.47 1yx3 h HIS 46 Cb 0.32 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 1yx3 h HIS 46 CO 0.02 0.32 0.64 -1.49 0.86 0.00 0.00 177.93 178.29 1yx3 h TRP 47 N -0.20 1.18 -0.37 2.45 4.06 -1.22 -1.27 115.95 120.57 1yx3 h TRP 47 Ca 0.01 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1yx3 h TRP 47 Cb 0.29 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 1yx3 h TRP 47 CO 0.02 0.58 0.19 0.22 -3.56 0.00 0.00 178.44 175.89 1yx3 h ASP 48 N 1.13 0.48 -0.45 -3.49 1.82 -1.16 0.05 116.42 114.79 1yx3 h ASP 48 Ca 0.45 -0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.92 1yx3 h ASP 48 Cb 0.25 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1yx3 h ASP 48 CO -0.19 0.46 0.07 0.40 -1.61 0.00 0.00 179.24 178.37 1yx3 h ILE 49 N 0.46 1.24 0.17 2.25 1.08 -0.95 0.13 117.51 121.91 1yx3 h ILE 49 Ca 0.13 -0.89 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1yx3 h ILE 49 Cb 0.10 0.96 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1yx3 h ILE 49 CO -0.02 0.31 -0.11 0.40 -0.69 0.00 0.00 178.15 178.05 1yx3 h ILE 50 N 0.60 0.77 -0.89 -0.67 2.04 -1.03 -0.57 117.51 117.77 1yx3 h ILE 50 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1yx3 h ILE 50 Cb 0.38 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1yx3 h ILE 50 CO 0.01 0.00 0.52 -1.13 0.00 0.00 0.00 178.15 177.55 1yx3 h ASN 51 N -0.27 1.09 -0.72 1.72 -1.24 -0.90 -2.48 115.58 112.78 1yx3 h ASN 51 Ca -0.02 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 1yx3 h ASN 51 Cb 0.23 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 1yx3 h ASN 51 CO 0.02 0.85 0.44 0.15 -1.29 0.00 0.00 177.43 177.60 1yx3 h PHE 52 N 1.24 0.95 -0.62 0.67 3.57 -0.33 -1.76 116.94 120.65 1yx3 h PHE 52 Ca 0.32 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1yx3 h PHE 52 Cb -0.02 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 1yx3 h PHE 52 CO 0.01 0.64 0.31 -0.07 -2.23 0.00 0.00 178.31 176.97 1yx3 h LEU 53 N 0.99 0.78 0.42 0.59 3.38 -0.68 0.33 115.31 121.12 1yx3 h LEU 53 Ca 0.26 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1yx3 h LEU 53 Cb -0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1yx3 h LEU 53 CO -0.05 0.66 -0.26 -0.09 0.09 0.00 0.00 178.44 178.79 1yx3 h ARG 54 N 0.87 -0.62 -0.39 1.13 2.43 -0.95 0.48 114.38 117.34 1yx3 h ARG 54 Ca 0.22 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1yx3 h ARG 54 Cb 0.07 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1yx3 h ARG 54 CO -0.03 -0.41 0.18 0.93 -1.51 0.00 0.00 179.97 179.13 1yx3 h GLU 55 N -0.64 0.57 -0.55 0.20 3.07 -1.13 -1.21 114.58 114.89 1yx3 h GLU 55 Ca -0.05 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1yx3 h GLU 55 Cb 0.53 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 1yx3 h GLU 55 CO 0.05 0.51 0.33 -0.92 -1.40 0.00 0.00 179.01 177.58 1yx3 h TYR 56 N 0.50 0.63 -0.14 4.33 3.20 -0.23 0.32 116.97 125.57 1yx3 h TYR 56 Ca 0.13 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 1yx3 h TYR 56 Cb 0.13 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.20 1yx3 h TYR 56 CO -0.01 0.36 -0.53 -0.92 -1.64 0.00 0.00 178.16 175.43 1yx3 h TYR 57 N 0.67 0.80 0.00 -3.82 3.20 -0.83 -0.40 116.97 116.59 1yx3 h TYR 57 Ca 0.22 -0.34 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 1yx3 h TYR 57 Cb 0.01 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1yx3 h TYR 57 CO -0.06 1.12 -0.15 1.49 -1.64 0.00 0.00 178.16 178.92 1yx3 h GLU 58 N 0.26 0.00 0.00 1.82 4.81 -0.98 0.58 114.58 121.06 1yx3 h GLU 58 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1yx3 h GLU 58 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1yx3 h GLU 58 CO 0.11 0.15 -0.62 -1.91 -0.73 0.00 0.00 179.01 176.01 1yx3 n GLU 59 N -3.28 0.47 0.00 1.92 4.07 0.08 -4.54 120.64 119.36 1yx3 n GLU 59 Ca 0.01 0.51 0.13 0.00 -0.06 0.00 0.00 57.16 57.74 1yx3 n GLU 59 Cb 0.40 -1.68 0.35 0.00 -0.06 0.00 0.00 31.44 30.45 1yx3 n GLU 59 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1yx3 n TYR 60 N -4.59 0.00 -3.23 4.31 4.01 -0.17 -4.94 117.16 112.56 1yx3 n TYR 60 Ca -0.10 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.42 1yx3 n TYR 60 Cb 0.32 -0.22 0.05 0.00 -0.31 0.00 0.00 39.34 39.18 1yx3 n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1yx3 n GLN 61 N -1.20 -6.03 -3.77 -0.72 1.13 0.19 -4.99 117.38 101.99 1yx3 n GLN 61 Ca 0.08 0.85 -0.13 0.00 -1.94 0.00 0.00 57.00 55.87 1yx3 n GLN 61 Cb 0.33 -5.73 -0.13 0.00 0.11 0.00 0.00 30.24 24.82 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 -3.23 -0.02 -0.33 5.09 2.07 -1.25 -5.06 121.20 118.48 1yx3 s ILE 62 Ca 0.41 0.09 -0.18 0.00 -1.41 0.00 0.00 60.65 59.57 1yx3 s ILE 62 Cb -0.18 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1yx3 s ILE 62 CO 0.51 0.04 0.49 0.00 -1.91 0.00 0.00 174.94 174.07 1yx3 s ALA 63 N 0.71 3.50 -0.02 1.50 0.00 -1.26 -4.15 121.76 122.04 1yx3 s ALA 63 Ca -0.05 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 1yx3 s ALA 63 Cb -0.07 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1yx3 s ALA 63 CO -0.04 -1.10 1.09 -1.25 0.00 0.00 0.00 175.76 174.46 1yx3 s PRO 64 N 2.33 4.45 1.12 0.00 0.04 -1.26 -5.00 135.00 136.68 1yx3 s PRO 64 Ca 0.18 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1yx3 s PRO 64 Cb -0.16 -3.48 0.25 0.00 0.04 0.00 0.00 34.50 31.16 1yx3 s PRO 64 CO 0.12 -0.25 1.13 0.00 0.04 0.00 0.00 177.00 178.03 1yx3 s ALA 65 N 1.55 0.88 0.21 8.56 0.00 -1.26 -4.51 121.76 127.18 1yx3 s ALA 65 Ca 0.54 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 1yx3 s ALA 65 Cb -0.23 -2.94 0.27 0.00 0.00 0.00 0.00 23.12 20.22 1yx3 s ALA 65 CO 0.24 -3.25 1.77 0.28 0.00 0.00 0.00 175.76 174.80 1yx3 h VAL 66 N -2.29 0.85 0.00 0.00 2.07 -1.96 0.71 116.25 115.64 1yx3 h VAL 66 Ca -0.48 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1yx3 h VAL 66 Cb 1.30 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1yx3 h VAL 66 CO 0.42 0.09 0.00 -0.09 0.02 0.00 0.00 177.57 178.01 1yx3 h ARG 67 N 0.52 0.00 0.05 1.57 2.43 -1.92 -2.43 114.38 114.60 1yx3 h ARG 67 Ca 0.30 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.11 1yx3 h ARG 67 Cb 0.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1yx3 h ARG 67 CO -0.25 0.00 -2.15 0.28 -1.51 0.00 0.00 179.97 176.33 1yx3 n VAL 68 N -3.05 1.62 -0.19 0.20 0.31 -0.07 -4.33 118.33 112.82 1yx3 n VAL 68 Ca 0.00 -0.68 -0.02 0.00 -0.01 0.00 0.00 64.34 63.64 1yx3 n VAL 68 Cb 0.27 -1.37 0.21 0.00 -0.91 0.00 0.00 33.84 32.03 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 0.03 0.85 -1.32 7.52 5.85 0.57 -1.83 115.31 126.98 1yx3 h LEU 69 Ca -0.47 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.21 1yx3 h LEU 69 Cb 2.02 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.79 1yx3 h LEU 69 CO 0.02 0.72 0.49 0.71 -0.34 0.00 0.00 178.44 180.04 1yx3 h THR 70 N 0.94 1.09 -0.12 1.05 1.35 -1.64 0.16 112.91 115.74 1yx3 h THR 70 Ca 0.23 -0.30 -0.23 0.00 -0.55 0.00 0.00 66.41 65.57 1yx3 h THR 70 Cb 0.09 0.15 0.01 0.00 -1.73 0.00 0.00 68.15 66.67 1yx3 h THR 70 CO -0.03 0.16 -0.82 0.11 -0.25 0.00 0.00 175.52 174.69 1yx3 h LYS 71 N 0.87 0.74 -0.37 4.72 1.57 -1.55 -2.67 116.57 119.87 1yx3 h LYS 71 Ca 0.30 -0.63 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1yx3 h LYS 71 Cb 0.10 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1yx3 h LYS 71 CO -0.09 1.23 -0.07 0.00 -0.57 0.00 0.00 179.45 179.96 1yx3 h ALA 72 N 0.58 0.50 -0.71 3.86 0.00 -0.62 -2.39 119.26 120.48 1yx3 h ALA 72 Ca -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1yx3 h ALA 72 Cb 1.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1yx3 h ALA 72 CO 0.16 0.34 0.29 0.28 0.00 0.00 0.00 179.25 180.32 1yx3 h VAL 73 N 0.49 1.24 0.00 0.00 2.07 -0.78 -1.82 116.25 117.45 1yx3 h VAL 73 Ca 0.10 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1yx3 h VAL 73 Cb 0.57 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1yx3 h VAL 73 CO 0.03 0.30 0.00 1.23 0.02 0.00 0.00 177.57 179.15 1yx3 h GLY 74 N 1.08 0.00 1.01 2.17 0.00 -1.27 0.19 103.07 106.26 1yx3 h GLY 74 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.33 1yx3 h GLY 74 CO -0.02 0.00 -1.57 1.70 0.00 0.00 0.00 176.54 176.65 1yx3 h LYS 75 N 0.00 0.00 0.00 4.80 3.64 -0.83 -2.48 116.57 121.70 1yx3 h LYS 75 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1yx3 h LYS 75 Cb 0.44 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1yx3 h LYS 75 CO 0.00 0.42 -1.45 1.17 -2.27 0.00 0.00 179.45 177.31 1yx3 n LYS 76 N -2.99 0.54 0.04 1.90 4.81 -0.90 -4.79 118.16 116.77 1yx3 n LYS 76 Ca -0.13 0.34 -0.03 0.00 -0.87 0.00 0.00 58.31 57.62 1yx3 n LYS 76 Cb 0.96 -1.55 -0.01 0.00 0.02 0.00 0.00 35.03 34.45 1yx3 n LYS 76 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1yx3 h LEU 77 N -1.00 -0.15 0.00 3.14 5.85 -0.86 -3.49 115.31 118.80 1yx3 h LEU 77 Ca -0.28 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1yx3 h LEU 77 Cb 1.16 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1yx3 h LEU 77 CO -0.17 0.21 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1yx3 n GLY 78 N 1.28 1.52 0.23 3.75 0.00 -1.17 -5.00 105.19 105.79 1yx3 n GLY 78 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.75 -0.48 116.57 117.52 1yx3 h LYS 79 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1yx3 h LYS 79 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1yx3 h LYS 79 CO 0.00 0.23 -0.61 0.93 -0.57 0.00 0.00 179.45 179.43 1yx3 h GLU 80 N 0.00 0.00 -0.01 3.15 5.08 -1.95 -3.23 114.58 117.61 1yx3 h GLU 80 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yx3 h GLU 80 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1yx3 h GLU 80 CO 0.03 0.61 -0.39 1.17 -1.00 0.00 0.00 179.01 179.43 1yx3 n LYS 81 N -3.42 1.45 -1.69 2.33 3.00 -0.77 -4.69 118.16 114.37 1yx3 n LYS 81 Ca 0.00 -0.99 -0.42 0.00 -0.00 0.00 0.00 58.31 56.90 1yx3 n LYS 81 Cb 0.71 -1.40 -0.00 0.00 0.00 0.00 0.00 35.03 34.34 1yx3 n LYS 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yx3 n GLY 82 N 1.30 4.38 3.24 3.14 0.00 -0.26 -4.81 105.19 112.19 1yx3 n GLY 82 Ca 0.09 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 1yx3 n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yx3 s ASN 83 N 3.16 2.20 0.31 1.61 3.84 -1.26 -4.75 114.94 120.04 1yx3 s ASN 83 Ca 0.49 -0.69 0.00 0.00 0.21 0.00 0.00 52.86 52.87 1yx3 s ASN 83 Cb 0.14 -0.10 0.50 0.00 -0.55 0.00 0.00 41.25 41.24 1yx3 s ASN 83 CO -0.08 -0.01 1.92 0.28 -2.79 0.00 0.00 177.10 176.41 1yx3 h SER 84 N 4.04 0.78 -0.46 -4.21 0.02 -1.93 -2.45 113.55 109.35 1yx3 h SER 84 Ca -0.43 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 1yx3 h SER 84 Cb 1.19 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1yx3 h SER 84 CO 0.42 0.66 0.15 0.50 -1.14 0.00 0.00 176.83 177.41 1yx3 h LYS 85 N 0.87 0.77 -0.56 3.45 1.63 -1.96 -1.58 116.57 119.19 1yx3 h LYS 85 Ca 0.22 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1yx3 h LYS 85 Cb 0.08 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1yx3 h LYS 85 CO -0.03 0.68 0.11 -0.92 -3.45 0.00 0.00 179.45 175.84 1yx3 h TYR 86 N 0.75 0.91 -0.06 1.91 3.20 -1.75 0.07 116.97 121.99 1yx3 h TYR 86 Ca 0.17 -0.10 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 1yx3 h TYR 86 Cb 0.24 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1yx3 h TYR 86 CO 0.01 0.77 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.59 1yx3 h LEU 87 N 0.84 0.30 -1.05 2.82 3.38 -1.28 -0.67 115.31 119.65 1yx3 h LEU 87 Ca 0.18 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1yx3 h LEU 87 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1yx3 h LEU 87 CO 0.00 0.86 -0.24 1.88 0.09 0.00 0.00 178.44 181.03 1yx3 h TYR 88 N 0.18 0.00 0.00 1.13 0.05 -0.86 0.36 116.97 117.83 1yx3 h TYR 88 Ca -0.01 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.59 1yx3 h TYR 88 Cb 1.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 1yx3 h TYR 88 CO 0.03 0.24 -0.83 0.77 -1.05 0.00 0.00 178.16 177.32 1yx3 h SER 89 N 0.00 0.03 0.08 3.88 0.02 -0.45 -3.27 113.55 113.83 1yx3 h SER 89 Ca -0.00 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1yx3 h SER 89 Cb 0.78 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1yx3 h SER 89 CO 0.03 0.85 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.46 1yx3 h LEU 90 N 0.01 -0.09 -7.71 5.07 3.38 -0.63 -3.44 115.31 111.90 1yx3 h LEU 90 Ca -0.01 -0.39 -0.65 0.00 0.09 0.00 0.00 57.88 56.92 1yx3 h LEU 90 Cb 1.47 0.02 -0.38 0.00 0.09 0.00 0.00 40.66 41.86 1yx3 h LEU 90 CO 0.11 0.56 -0.77 -0.36 0.09 0.00 0.00 178.44 178.07 1yx3 s PHE 91 N -2.48 3.09 0.08 1.13 0.08 0.12 -4.99 117.98 115.01 1yx3 s PHE 91 Ca -0.10 -2.34 0.27 0.00 0.12 0.00 0.00 56.93 54.88 1yx3 s PHE 91 Cb -0.01 -2.12 1.02 0.00 -0.57 0.00 0.00 43.02 41.35 1yx3 s PHE 91 CO 0.37 -0.87 1.86 -1.00 -0.10 0.00 0.00 175.22 175.47 1yx3 h PRO 92 N 7.79 0.00 -0.64 0.24 0.13 -1.81 -3.00 132.00 134.71 1yx3 h PRO 92 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1yx3 h PRO 92 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1yx3 h PRO 92 CO 0.47 0.13 0.00 0.66 -0.23 0.00 0.00 178.00 179.03 1yx3 n TYR 93 N -3.26 1.47 0.00 1.56 4.01 -1.26 -4.94 117.16 114.74 1yx3 n TYR 93 Ca 0.01 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 1yx3 n TYR 93 Cb 0.40 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx3 n GLY 94 N 0.78 1.11 0.27 2.72 0.00 -1.13 -4.72 105.19 104.22 1yx3 n GLY 94 Ca 0.22 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.34 1yx3 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yx3 h PRO 95 N 0.00 0.28 0.76 1.61 0.13 -1.79 -1.83 132.00 131.17 1yx3 h PRO 95 Ca 0.00 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1yx3 h PRO 95 Cb 0.00 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.07 1yx3 h PRO 95 CO 0.00 0.19 -0.37 0.00 -0.23 0.00 0.00 178.00 177.59 1yx3 h ALA 96 N 1.61 -1.24 -0.72 -0.56 0.00 -1.91 -0.17 119.26 116.26 1yx3 h ALA 96 Ca 0.42 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1yx3 h ALA 96 Cb 0.72 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1yx3 h ALA 96 CO -0.50 -1.17 0.41 0.87 0.00 0.00 0.00 179.25 178.86 1yx3 h LYS 97 N -1.05 0.71 0.47 0.00 1.57 -1.84 -0.80 116.57 115.63 1yx3 h LYS 97 Ca -0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1yx3 h LYS 97 Cb 0.79 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1yx3 h LYS 97 CO 0.17 0.47 -0.23 1.96 -0.57 0.00 0.00 179.45 181.26 1yx3 h GLN 98 N 0.73 -0.61 -0.41 3.15 1.08 -1.32 -2.09 115.11 115.64 1yx3 h GLN 98 Ca 0.33 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.55 1yx3 h GLN 98 Cb 0.23 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1yx3 h GLN 98 CO -0.20 -0.31 0.19 0.00 -0.95 0.00 0.00 178.83 177.56 1yx3 h ALA 99 N -0.53 0.53 -0.49 3.87 0.00 -0.85 -2.49 119.26 119.30 1yx3 h ALA 99 Ca -0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1yx3 h ALA 99 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1yx3 h ALA 99 CO 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.45 1yx3 h ARG 101 N 0.76 -0.20 0.00 0.00 2.43 -0.94 0.41 114.38 116.84 1yx3 h ARG 101 Ca 0.14 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1yx3 h ARG 101 Cb 0.48 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1yx3 h ARG 101 CO 0.02 -0.14 -0.41 0.74 -1.51 0.00 0.00 179.97 178.67 1yx3 h PHE 102 N -0.21 0.00 0.00 2.20 0.04 -1.29 -3.00 116.94 114.68 1yx3 h PHE 102 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1yx3 h PHE 102 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1yx3 h PHE 102 CO -0.35 0.41 0.00 0.00 -0.60 0.00 0.00 178.31 177.78 1yx3 n ALA 103 N -2.24 2.20 -0.06 2.45 0.00 -0.41 -4.28 120.51 118.17 1yx3 n ALA 103 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yx3 n ALA 103 Cb 0.62 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1yx3 n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx3 n GLY 104 N 1.16 0.97 3.75 0.00 0.00 -0.26 -4.79 105.19 106.01 1yx3 n GLY 104 Ca 0.05 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 4.28 0.00 0.99 1.43 0.13 -4.56 118.68 120.94 1yx3 s LEU 105 Ca 0.00 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1yx3 s LEU 105 Cb 0.00 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.93 1yx3 s LEU 105 CO 0.00 0.16 0.14 -0.81 0.23 0.00 0.00 176.35 176.07 1yx3 n PRO 106 N 3.25 -1.36 -1.89 1.29 -0.04 -1.26 -3.71 135.00 131.28 1yx3 n PRO 106 Ca -0.13 -0.22 -0.43 0.00 -0.04 0.00 0.00 63.50 62.68 1yx3 n PRO 106 Cb 0.52 -0.21 -0.03 0.00 -0.04 0.00 0.00 33.50 33.74 1yx3 n PRO 106 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1yx3 s LYS 107 N -3.32 3.22 -0.07 0.54 -2.85 -1.26 -4.85 119.74 111.16 1yx3 s LYS 107 Ca 0.09 1.55 0.16 0.00 -1.00 0.00 0.00 55.97 56.77 1yx3 s LYS 107 Cb -0.01 -4.26 0.57 0.00 -2.06 0.00 0.00 37.83 32.07 1yx3 s LYS 107 CO 0.07 -1.99 1.46 -0.35 0.10 0.00 0.00 175.35 174.64 1yx3 n PRO 108 N 8.56 3.00 -3.90 1.78 -0.04 -1.26 -4.93 135.00 138.20 1yx3 n PRO 108 Ca 0.25 -2.27 -0.26 0.00 -0.04 0.00 0.00 63.50 61.17 1yx3 n PRO 108 Cb 0.47 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 32.23 1yx3 n PRO 108 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1yx3 n THR 109 N 0.98 -3.55 -2.59 0.52 -2.24 -1.26 -4.84 114.28 101.30 1yx3 n THR 109 Ca 0.21 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 1yx3 n THR 109 Cb 0.68 -2.96 0.00 0.00 -2.10 0.00 0.00 70.33 65.95 1yx3 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yx3 n GLY 110 N -1.92 3.15 5.00 3.38 0.00 -1.26 -4.69 105.19 108.85 1yx3 n GLY 110 Ca -0.28 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32