#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqa s ILE 3 N 0.00 4.93 0.00 -0.61 1.01 -1.26 -4.87 121.20 120.40 1xqa s ILE 3 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1xqa s ILE 3 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1xqa s ILE 3 CO 0.00 -0.21 0.24 0.29 0.00 0.00 0.00 174.94 175.26 1xqa n LYS 4 N 5.91 -0.07 -3.78 2.79 4.76 -1.26 -5.03 118.16 121.48 1xqa n LYS 4 Ca -0.02 -0.26 -0.13 0.00 -2.87 0.00 0.00 58.31 55.03 1xqa n LYS 4 Cb 0.49 -0.64 -0.13 0.00 -1.84 0.00 0.00 35.03 32.90 1xqa n LYS 4 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1xqa s HIS 5 N -0.05 -0.20 -0.05 2.13 2.46 -1.26 -0.43 115.29 117.89 1xqa s HIS 5 Ca 0.00 0.50 0.03 0.00 0.47 0.00 0.00 55.06 56.07 1xqa s HIS 5 Cb 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.47 1xqa s HIS 5 CO 0.00 -0.13 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.48 1xqa s LEU 6 N 0.60 1.83 -0.38 8.88 1.43 -0.42 -4.99 118.68 125.61 1xqa s LEU 6 Ca -0.04 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1xqa s LEU 6 Cb -0.06 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.32 1xqa s LEU 6 CO -0.03 0.11 0.21 0.21 0.23 0.00 0.00 176.35 177.08 1xqa s ASN 7 N 0.25 5.65 -0.41 2.29 3.84 -1.26 -0.61 114.94 124.70 1xqa s ASN 7 Ca -0.07 -1.18 -0.13 0.00 0.21 0.00 0.00 52.86 51.69 1xqa s ASN 7 Cb -0.13 -1.99 0.04 0.00 -0.55 0.00 0.00 41.25 38.62 1xqa s ASN 7 CO 0.03 -0.43 0.27 -0.76 -2.79 0.00 0.00 177.10 173.42 1xqa s LEU 8 N 1.49 5.03 0.17 3.21 1.43 0.32 -4.98 118.68 125.35 1xqa s LEU 8 Ca 0.02 -1.07 -0.31 0.00 -1.03 0.00 0.00 54.13 51.74 1xqa s LEU 8 Cb -0.20 -2.09 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 1xqa s LEU 8 CO 0.05 -0.46 1.51 -0.89 0.23 0.00 0.00 176.35 176.78 1xqa s THR 9 N 1.60 2.78 0.13 5.49 2.01 -1.26 -4.30 115.64 122.09 1xqa s THR 9 Ca 0.03 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1xqa s THR 9 Cb -0.20 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1xqa s THR 9 CO 0.07 0.05 0.02 0.68 -0.69 0.00 0.00 174.62 174.76 1xqa s VAL 10 N 0.97 0.33 0.02 3.82 -7.23 -1.26 -4.94 120.40 112.11 1xqa s VAL 10 Ca 0.67 -1.92 0.16 0.00 -1.81 0.00 0.00 61.98 59.08 1xqa s VAL 10 Cb -0.42 -1.98 0.07 0.00 0.56 0.00 0.00 36.38 34.61 1xqa s VAL 10 CO 0.33 -0.56 1.57 0.00 -0.31 0.00 0.00 175.10 176.13 1xqa h ALA 11 N 2.85 0.79 -1.25 1.32 0.00 -1.45 -2.73 119.26 118.80 1xqa h ALA 11 Ca -0.35 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 1xqa h ALA 11 Cb 1.19 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.67 1xqa h ALA 11 CO 0.61 0.61 -0.42 0.34 0.00 0.00 0.00 179.25 180.39 1xqa s ASP 12 N -6.47 -0.92 0.12 0.00 -1.08 -1.26 -4.78 116.67 102.28 1xqa s ASP 12 Ca 0.02 0.10 -0.16 0.00 -0.52 0.00 0.00 52.55 51.99 1xqa s ASP 12 Cb 0.09 1.73 -0.02 0.00 -1.46 0.00 0.00 42.92 43.27 1xqa s ASP 12 CO 0.72 -0.31 1.65 0.58 0.52 0.00 0.00 175.17 178.33 1xqa h VAL 13 N 6.06 1.21 -0.21 1.11 2.07 -1.84 -2.09 116.25 122.55 1xqa h VAL 13 Ca -0.07 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1xqa h VAL 13 Cb 1.16 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1xqa h VAL 13 CO 0.20 0.23 0.09 0.58 0.02 0.00 0.00 177.57 178.69 1xqa h VAL 14 N 0.45 0.97 -0.72 2.57 2.07 -1.96 0.13 116.25 119.76 1xqa h VAL 14 Ca 0.12 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 1xqa h VAL 14 Cb 0.24 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1xqa h VAL 14 CO -0.01 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.80 1xqa h ALA 15 N 1.12 0.95 -0.35 1.67 0.00 -1.92 -1.55 119.26 119.18 1xqa h ALA 15 Ca 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1xqa h ALA 15 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xqa h ALA 15 CO -0.08 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 1xqa h ALA 16 N 1.09 0.49 -0.07 0.00 0.00 -1.15 -2.30 119.26 117.32 1xqa h ALA 16 Ca 0.23 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xqa h ALA 16 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xqa h ALA 16 CO 0.00 0.39 -0.02 -0.09 0.00 0.00 0.00 179.25 179.53 1xqa h ARG 17 N 0.50 -0.01 -0.41 0.00 2.43 -0.61 -1.80 114.38 114.49 1xqa h ARG 17 Ca 0.08 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1xqa h ARG 17 Cb 0.67 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1xqa h ARG 17 CO 0.05 -0.00 0.01 1.05 -1.51 0.00 0.00 179.97 179.56 1xqa h GLU 18 N -0.01 0.66 -0.19 0.20 4.11 -1.26 -1.20 114.58 116.88 1xqa h GLU 18 Ca 0.04 -0.15 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 1xqa h GLU 18 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xqa h GLU 18 CO -0.08 0.67 0.11 0.35 0.07 0.00 0.00 179.01 180.13 1xqa h PHE 19 N 0.62 0.27 -0.28 2.06 3.57 -1.24 -1.29 116.94 120.65 1xqa h PHE 19 Ca 0.13 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1xqa h PHE 19 Cb 0.37 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1xqa h PHE 19 CO 0.02 0.24 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.01 1xqa h LEU 20 N 0.21 0.55 -0.25 0.59 3.38 -0.87 -1.43 115.31 117.49 1xqa h LEU 20 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1xqa h LEU 20 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xqa h LEU 20 CO -0.01 0.80 0.06 -0.33 0.09 0.00 0.00 178.44 179.05 1xqa h GLU 21 N 0.48 0.39 -0.05 1.13 5.08 -1.14 -1.88 114.58 118.60 1xqa h GLU 21 Ca 0.07 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1xqa h GLU 21 Cb 0.70 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xqa h GLU 21 CO 0.05 0.49 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.23 1xqa h LYS 22 N 0.22 0.15 0.00 2.33 3.64 -0.95 -3.02 116.57 118.95 1xqa h LYS 22 Ca 0.08 -0.10 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 1xqa h LYS 22 Cb 0.27 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1xqa h LYS 22 CO 0.00 0.70 -1.86 0.66 -2.27 0.00 0.00 179.45 176.68 1xqa n TYR 23 N -4.66 0.56 -0.05 1.91 4.01 -0.56 -4.57 117.16 113.79 1xqa n TYR 23 Ca -0.08 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1xqa n TYR 23 Cb 0.36 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 1xqa n TYR 23 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xqa n PHE 24 N -2.80 0.00 -1.79 -0.72 3.01 -0.80 -5.02 117.46 109.33 1xqa n PHE 24 Ca -0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.13 1xqa n PHE 24 Cb 0.96 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.39 1xqa n PHE 24 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xqa n GLY 25 N 0.18 0.76 3.78 1.37 0.00 -0.77 -4.97 105.19 105.54 1xqa n GLY 25 Ca 0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1xqa n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xqa s LEU 26 N -3.74 3.33 0.09 0.99 1.43 -1.09 -4.97 118.68 114.72 1xqa s LEU 26 Ca 0.00 1.92 0.09 0.00 -1.03 0.00 0.00 54.13 55.11 1xqa s LEU 26 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1xqa s LEU 26 CO 0.00 -1.62 -0.21 0.28 0.23 0.00 0.00 176.35 175.03 1xqa s THR 27 N -2.50 2.60 -0.23 5.49 -1.32 -0.72 -4.34 115.64 114.61 1xqa s THR 27 Ca 0.65 -1.48 -0.15 0.00 -1.21 0.00 0.00 61.69 59.50 1xqa s THR 27 Cb -0.19 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 68.62 1xqa s THR 27 CO 0.44 0.18 0.36 0.00 -2.21 0.00 0.00 174.62 173.39 1xqa n SER 29 N 4.78 2.93 0.00 0.00 3.41 0.21 -5.00 113.62 119.95 1xqa n SER 29 Ca -0.09 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1xqa n SER 29 Cb 0.51 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1xqa n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xqa n GLY 30 N 1.23 1.82 3.11 5.00 0.00 -1.24 -4.97 105.19 110.14 1xqa n GLY 30 Ca 0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1xqa n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xqa s THR 31 N -2.00 0.15 -0.58 2.61 -4.23 -1.26 -0.60 115.64 109.73 1xqa s THR 31 Ca 0.00 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1xqa s THR 31 Cb 0.00 -1.05 0.15 0.00 1.34 0.00 0.00 72.50 72.94 1xqa s THR 31 CO 0.00 -0.69 0.35 -0.13 -0.54 0.00 0.00 174.62 173.61 1xqa s ARG 32 N -2.99 2.07 6.65 3.99 1.81 -0.49 -4.98 118.95 125.01 1xqa s ARG 32 Ca -0.02 -2.83 0.00 0.00 -1.72 0.00 0.00 55.73 51.16 1xqa s ARG 32 Cb 0.01 -3.21 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 1xqa s ARG 32 CO -0.06 -1.19 0.00 0.41 -0.68 0.00 0.00 175.30 173.78 1xqa n GLY 33 N 2.70 3.15 1.37 -3.53 0.00 -1.26 -1.70 105.19 105.93 1xqa n GLY 33 Ca 0.12 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1xqa n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xqa n ASN 34 N 2.48 4.01 0.08 1.61 0.23 -1.26 -4.40 115.26 118.01 1xqa n ASN 34 Ca 0.00 -2.18 0.07 0.00 -0.53 0.00 0.00 54.58 51.94 1xqa n ASN 34 Cb 0.00 -0.50 -0.02 0.00 -2.08 0.00 0.00 39.78 37.18 1xqa n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xqa h ALA 35 N 4.17 0.58 -2.09 -2.53 0.00 -1.71 -3.39 119.26 114.29 1xqa h ALA 35 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1xqa h ALA 35 Cb 1.11 0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 1xqa h ALA 35 CO 0.09 0.36 0.05 0.12 0.00 0.00 0.00 179.25 179.87 1xqa s PHE 36 N -3.18 -0.84 -0.07 0.00 5.36 -1.20 -1.11 117.98 116.93 1xqa s PHE 36 Ca -0.01 1.90 -0.04 0.00 -0.96 0.00 0.00 56.93 57.82 1xqa s PHE 36 Cb 0.09 0.37 0.03 0.00 -0.34 0.00 0.00 43.02 43.18 1xqa s PHE 36 CO 0.79 -0.41 0.18 0.00 -1.46 0.00 0.00 175.22 174.32 1xqa s ALA 37 N 0.80 -0.38 0.38 11.12 0.00 -0.41 -1.39 121.76 131.88 1xqa s ALA 37 Ca -0.04 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1xqa s ALA 37 Cb -0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1xqa s ALA 37 CO -0.06 -0.14 0.49 0.08 0.00 0.00 0.00 175.76 176.12 1xqa s VAL 38 N 0.88 3.44 -0.29 0.00 1.01 0.23 -0.09 120.40 125.57 1xqa s VAL 38 Ca -0.07 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 1xqa s VAL 38 Cb -0.08 -3.18 0.19 0.00 0.00 0.00 0.00 36.38 33.31 1xqa s VAL 38 CO -0.05 -0.08 1.41 -0.13 0.00 0.00 0.00 175.10 176.25 1xqa s ARG 40 N -4.23 0.05 0.03 2.72 0.52 0.29 -0.62 118.95 117.72 1xqa s ARG 40 Ca 0.49 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1xqa s ARG 40 Cb -0.09 0.02 0.01 0.00 0.52 0.00 0.00 34.95 35.41 1xqa s ARG 40 CO 0.31 -0.01 0.05 -0.40 0.02 0.00 0.00 175.30 175.27 1xqa n ASP 41 N 1.01 0.11 0.26 0.23 5.68 -1.02 -1.76 116.55 121.05 1xqa n ASP 41 Ca -0.05 -1.08 0.15 0.00 -0.50 0.00 0.00 54.79 53.31 1xqa n ASP 41 Cb 0.58 -0.03 0.53 0.00 -1.14 0.00 0.00 41.12 41.06 1xqa n ASP 41 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1xqa h ASN 42 N -0.00 0.00 -0.54 -1.12 2.35 -1.93 -3.22 115.58 111.11 1xqa h ASN 42 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xqa h ASN 42 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1xqa h ASN 42 CO 0.02 0.03 0.00 0.47 -1.65 0.00 0.00 177.43 176.30 1xqa n ASP 43 N -3.12 4.39 -0.07 5.81 8.00 -1.26 -4.93 116.55 125.37 1xqa n ASP 43 Ca 0.01 -2.48 -0.01 0.00 0.71 0.00 0.00 54.79 53.03 1xqa n ASP 43 Cb 0.38 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1xqa n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqa n GLY 44 N 0.78 0.48 3.74 0.44 0.00 -1.22 -5.02 105.19 104.39 1xqa n GLY 44 Ca 0.23 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1xqa n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xqa s PHE 45 N -2.00 3.46 -0.28 1.61 5.36 -1.26 -4.92 117.98 119.96 1xqa s PHE 45 Ca 0.00 1.45 -0.06 0.00 -0.96 0.00 0.00 56.93 57.36 1xqa s PHE 45 Cb 0.00 -3.40 0.01 0.00 -0.34 0.00 0.00 43.02 39.29 1xqa s PHE 45 CO 0.00 -1.09 0.05 0.42 -1.46 0.00 0.00 175.22 173.14 1xqa s ILE 46 N -0.05 3.78 -0.30 3.12 -1.09 0.43 -2.42 121.20 124.67 1xqa s ILE 46 Ca 0.52 -0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 58.16 1xqa s ILE 46 Cb -0.32 -2.92 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 1xqa s ILE 46 CO 0.36 0.14 0.14 -0.22 -1.23 0.00 0.00 174.94 174.13 1xqa s LEU 47 N 1.48 4.00 -0.11 2.97 1.98 -1.26 -1.30 118.68 126.44 1xqa s LEU 47 Ca 0.03 -0.48 -0.05 0.00 -2.89 0.00 0.00 54.13 50.73 1xqa s LEU 47 Cb -0.17 -1.99 -0.04 0.00 0.66 0.00 0.00 46.19 44.66 1xqa s LEU 47 CO 0.01 -0.17 0.09 0.42 -1.89 0.00 0.00 176.35 174.81 1xqa s THR 48 N 1.61 5.09 0.46 3.68 -4.23 0.22 -4.51 115.64 117.96 1xqa s THR 48 Ca 0.05 0.05 0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1xqa s THR 48 Cb -0.17 -3.20 -0.00 0.00 1.34 0.00 0.00 72.50 70.47 1xqa s THR 48 CO 0.06 0.61 0.37 -0.76 -0.54 0.00 0.00 174.62 174.35 1xqa s LEU 49 N -0.93 3.13 0.20 4.79 1.43 0.87 -0.52 118.68 127.65 1xqa s LEU 49 Ca 0.14 -0.96 0.11 0.00 -1.03 0.00 0.00 54.13 52.39 1xqa s LEU 49 Cb -0.12 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1xqa s LEU 49 CO 0.03 -0.79 -0.22 -0.75 0.23 0.00 0.00 176.35 174.85 1xqa s LYS 51 N -4.15 1.49 0.00 1.70 2.20 -0.26 -1.29 119.74 119.42 1xqa s LYS 51 Ca 0.43 -1.54 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 1xqa s LYS 51 Cb -0.02 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.58 1xqa s LYS 51 CO 0.25 0.36 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1xqa n GLY 52 N 0.12 0.43 3.67 5.54 0.00 -1.03 -4.75 105.19 109.17 1xqa n GLY 52 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1xqa n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqa s LYS 53 N 0.00 4.15 -0.03 1.61 2.47 -1.26 -4.84 119.74 121.85 1xqa s LYS 53 Ca 0.00 2.53 0.02 0.00 -1.56 0.00 0.00 55.97 56.95 1xqa s LYS 53 Cb 0.00 -3.89 -0.03 0.00 -1.46 0.00 0.00 37.83 32.46 1xqa s LYS 53 CO 0.00 -0.88 -0.00 -1.91 0.16 0.00 0.00 175.35 172.72 1xqa n GLU 54 N 6.64 2.62 -3.93 4.03 4.07 -1.26 -5.08 120.64 127.74 1xqa n GLU 54 Ca 0.18 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.19 1xqa n GLU 54 Cb 0.40 -1.06 -0.10 0.00 -0.06 0.00 0.00 31.44 30.62 1xqa n GLU 54 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1xqa s VAL 55 N -2.06 0.11 1.02 6.31 -7.23 -1.26 -5.16 120.40 112.13 1xqa s VAL 55 Ca -0.02 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.14 1xqa s VAL 55 Cb 0.01 -0.52 0.20 0.00 0.56 0.00 0.00 36.38 36.63 1xqa s VAL 55 CO 0.09 -0.49 1.08 -1.10 -0.31 0.00 0.00 175.10 174.36 1xqa s GLN 56 N -1.77 0.24 0.36 4.82 1.11 -1.26 -5.04 119.66 118.12 1xqa s GLN 56 Ca -0.12 0.87 -0.15 0.00 0.01 0.00 0.00 55.36 55.97 1xqa s GLN 56 Cb -0.06 -1.69 -0.09 0.00 -1.01 0.00 0.00 33.01 30.16 1xqa s GLN 56 CO -0.01 -2.95 0.79 0.71 0.01 0.00 0.00 175.29 173.84 1xqa s TYR 57 N -2.72 3.39 0.42 0.91 2.02 -1.26 -5.05 117.35 115.05 1xqa s TYR 57 Ca 0.66 1.26 -0.24 0.00 -0.37 0.00 0.00 57.07 58.38 1xqa s TYR 57 Cb -0.21 -2.58 -0.11 0.00 -0.40 0.00 0.00 41.96 38.66 1xqa s TYR 57 CO 0.60 0.00 0.97 -2.30 -1.57 0.00 0.00 175.55 173.25 1xqa n PRO 58 N -0.65 1.27 0.23 -1.71 -0.02 -1.26 -4.86 135.00 128.00 1xqa n PRO 58 Ca 0.04 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.04 1xqa n PRO 58 Cb 0.53 -1.99 0.55 0.00 -0.02 0.00 0.00 33.50 32.57 1xqa n PRO 58 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1xqa h LYS 59 N 1.46 0.00 -0.01 -0.52 2.10 -2.03 -1.43 116.57 116.14 1xqa h LYS 59 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1xqa h LYS 59 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1xqa h LYS 59 CO 0.56 0.15 -0.14 0.25 -2.00 0.00 0.00 179.45 178.27 1xqa n THR 60 N -4.30 0.00 -2.04 0.07 -2.24 -1.26 -4.89 114.28 99.63 1xqa n THR 60 Ca -0.03 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1xqa n THR 60 Cb 0.22 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1xqa n THR 60 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xqa s PHE 61 N -2.38 3.11 0.07 4.78 5.36 -0.54 -5.02 117.98 123.36 1xqa s PHE 61 Ca 0.30 0.89 -0.24 0.00 -0.96 0.00 0.00 56.93 56.92 1xqa s PHE 61 Cb 0.20 -3.80 0.06 0.00 -0.34 0.00 0.00 43.02 39.14 1xqa s PHE 61 CO 0.46 -2.78 0.56 -3.38 -1.46 0.00 0.00 175.22 168.62 1xqa s HIS 62 N 0.66 -0.49 -0.16 10.12 -3.43 -1.26 -4.24 115.29 116.49 1xqa s HIS 62 Ca 0.64 0.51 -0.03 0.00 -0.80 0.00 0.00 55.06 55.37 1xqa s HIS 62 Cb -0.41 0.41 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 1xqa s HIS 62 CO 0.36 -0.70 -0.05 0.08 -2.00 0.00 0.00 174.74 172.43 1xqa s VAL 63 N -2.70 3.78 -0.17 -5.38 1.01 -0.60 -4.92 120.40 111.42 1xqa s VAL 63 Ca -0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 1xqa s VAL 63 Cb -0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1xqa s VAL 63 CO -0.04 0.49 0.03 -0.83 0.00 0.00 0.00 175.10 174.75 1xqa s GLY 64 N 0.46 1.85 -0.47 4.51 0.00 -1.26 -0.28 107.32 112.12 1xqa s GLY 64 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1xqa s GLY 64 CO 0.03 -0.03 0.21 -1.36 0.00 0.00 0.00 173.10 171.95 1xqa s PHE 65 N 0.27 3.34 0.66 1.90 0.08 0.27 -4.95 117.98 119.54 1xqa s PHE 65 Ca 0.01 -3.13 -0.15 0.00 0.12 0.00 0.00 56.93 53.78 1xqa s PHE 65 Cb -0.13 -2.85 -0.00 0.00 -0.57 0.00 0.00 43.02 39.47 1xqa s PHE 65 CO 0.01 -0.80 1.12 -1.25 -0.10 0.00 0.00 175.22 174.21 1xqa s PRO 66 N 0.02 2.76 0.25 0.24 0.04 -1.26 -4.52 135.00 132.52 1xqa s PRO 66 Ca 0.15 1.46 0.11 0.00 0.04 0.00 0.00 61.00 62.76 1xqa s PRO 66 Cb -0.24 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1xqa s PRO 66 CO -0.02 -1.29 -0.19 -0.65 0.04 0.00 0.00 177.00 174.89 1xqa s GLN 67 N -4.00 1.55 0.48 4.56 -1.52 -1.26 -5.01 119.66 114.45 1xqa s GLN 67 Ca 0.68 -1.68 0.28 0.00 -1.95 0.00 0.00 55.36 52.70 1xqa s GLN 67 Cb -0.22 -1.58 0.87 0.00 -0.22 0.00 0.00 33.01 31.87 1xqa s GLN 67 CO 0.41 0.29 1.80 0.93 -0.25 0.00 0.00 175.29 178.47 1xqa h GLU 68 N 2.49 0.00 -3.09 2.91 5.08 -1.96 -3.41 114.58 116.60 1xqa h GLU 68 Ca -0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1xqa h GLU 68 Cb 1.24 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 1xqa h GLU 68 CO 0.59 0.00 0.16 -1.54 -1.00 0.00 0.00 179.01 177.22 1xqa s SER 69 N -5.82 -0.42 0.30 1.42 1.04 -1.26 -5.03 113.70 103.94 1xqa s SER 69 Ca 0.04 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1xqa s SER 69 Cb 0.07 0.61 0.49 0.00 0.10 0.00 0.00 66.02 67.30 1xqa s SER 69 CO 0.60 -1.06 1.82 -0.33 0.98 0.00 0.00 173.24 175.25 1xqa h GLU 70 N 2.06 0.62 -0.69 4.02 5.08 -1.90 -2.72 114.58 121.06 1xqa h GLU 70 Ca -0.30 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1xqa h GLU 70 Cb 1.28 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 1xqa h GLU 70 CO 0.35 0.65 0.38 1.49 -1.00 0.00 0.00 179.01 180.88 1xqa h GLU 71 N 0.58 0.66 -0.54 2.33 4.81 -1.99 -0.39 114.58 120.05 1xqa h GLU 71 Ca 0.12 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1xqa h GLU 71 Cb 0.40 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1xqa h GLU 71 CO 0.02 0.43 0.09 1.96 -0.73 0.00 0.00 179.01 180.78 1xqa h GLN 72 N 0.68 0.85 0.00 1.92 1.08 -1.90 0.20 115.11 117.94 1xqa h GLN 72 Ca 0.32 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1xqa h GLN 72 Cb 0.24 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1xqa h GLN 72 CO -0.21 0.80 -0.01 0.28 -0.95 0.00 0.00 178.83 178.75 1xqa h VAL 73 N 0.81 0.99 -0.91 -0.54 2.07 -1.14 -2.44 116.25 115.08 1xqa h VAL 73 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1xqa h VAL 73 Cb 0.36 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1xqa h VAL 73 CO 0.01 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.63 1xqa h ASP 74 N -0.01 0.98 -0.30 0.57 3.32 -0.76 -1.03 116.42 119.18 1xqa h ASP 74 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xqa h ASP 74 Cb 0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1xqa h ASP 74 CO -0.00 0.68 0.20 0.50 -1.72 0.00 0.00 179.24 178.89 1xqa h LYS 75 N 1.15 0.40 -0.38 3.56 3.64 -0.85 -0.13 116.57 123.95 1xqa h LYS 75 Ca 0.36 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1xqa h LYS 75 Cb 0.00 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1xqa h LYS 75 CO -0.12 0.28 -0.04 0.82 -2.27 0.00 0.00 179.45 178.12 1xqa h ILE 76 N 0.40 1.27 -0.23 2.00 2.04 -1.09 -1.62 117.51 120.28 1xqa h ILE 76 Ca 0.11 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 64.95 1xqa h ILE 76 Cb -0.03 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1xqa h ILE 76 CO -0.02 0.36 -0.16 -1.13 0.00 0.00 0.00 178.15 177.20 1xqa h ASN 77 N 0.51 -0.52 -0.62 1.72 -0.73 -1.05 -0.35 115.58 114.55 1xqa h ASN 77 Ca 0.10 0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 1xqa h ASN 77 Cb 0.53 0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.35 1xqa h ASN 77 CO 0.03 -0.20 0.26 -0.61 -0.37 0.00 0.00 177.43 176.54 1xqa h GLN 78 N -0.15 0.92 -0.37 6.67 5.75 -0.87 -1.21 115.11 125.85 1xqa h GLN 78 Ca 0.13 -0.16 -0.16 0.00 -0.15 0.00 0.00 58.65 58.31 1xqa h GLN 78 Cb 0.35 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1xqa h GLN 78 CO -0.32 0.77 -0.38 0.00 -2.65 0.00 0.00 178.83 176.25 1xqa h ARG 79 N 0.87 0.91 -0.27 1.69 3.08 -1.13 0.11 114.38 119.64 1xqa h ARG 79 Ca 0.21 -0.49 0.03 0.00 0.07 0.00 0.00 59.98 59.81 1xqa h ARG 79 Cb 0.18 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1xqa h ARG 79 CO -0.02 1.14 0.06 -0.07 -1.07 0.00 0.00 179.97 180.01 1xqa h LEU 80 N 0.72 0.04 -0.41 3.04 3.38 -0.95 -0.19 115.31 120.94 1xqa h LEU 80 Ca 0.06 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xqa h LEU 80 Cb 0.98 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1xqa h LEU 80 CO 0.09 0.05 0.25 0.50 0.09 0.00 0.00 178.44 179.43 1xqa h LYS 81 N 0.17 0.49 -0.39 1.13 3.64 -1.02 -0.73 116.57 119.86 1xqa h LYS 81 Ca 0.12 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1xqa h LYS 81 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1xqa h LYS 81 CO -0.15 0.32 0.01 0.93 -2.27 0.00 0.00 179.45 178.29 1xqa h GLU 82 N 0.50 0.61 -0.15 1.90 5.08 -0.77 -2.63 114.58 119.12 1xqa h GLU 82 Ca 0.16 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xqa h GLU 82 Cb -0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1xqa h GLU 82 CO -0.06 0.63 0.00 -0.25 -1.00 0.00 0.00 179.01 178.32 1xqa n ASP 83 N -4.26 1.11 0.00 1.42 8.00 -0.10 -4.90 116.55 117.81 1xqa n ASP 83 Ca 0.02 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.77 1xqa n ASP 83 Cb 0.26 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1xqa n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqa n GLY 84 N 0.95 0.79 3.85 0.44 0.00 -0.96 -5.04 105.19 105.21 1xqa n GLY 84 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1xqa n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xqa s PHE 85 N -2.02 3.44 -0.39 1.61 0.08 -0.32 -5.02 117.98 115.37 1xqa s PHE 85 Ca 0.00 1.18 -0.28 0.00 0.12 0.00 0.00 56.93 57.95 1xqa s PHE 85 Cb 0.00 -2.49 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1xqa s PHE 85 CO 0.00 0.18 1.04 -1.17 -0.10 0.00 0.00 175.22 175.17 1xqa s LEU 86 N -2.73 3.87 0.05 -0.37 0.20 -1.26 -4.16 118.68 114.27 1xqa s LEU 86 Ca 0.50 0.70 -0.05 0.00 0.69 0.00 0.00 54.13 55.97 1xqa s LEU 86 Cb -0.12 -3.44 -0.01 0.00 -0.43 0.00 0.00 46.19 42.19 1xqa s LEU 86 CO 0.19 -0.99 0.09 0.68 -0.29 0.00 0.00 176.35 176.03 1xqa s VAL 87 N 3.83 0.15 0.38 1.68 -7.23 -1.26 -4.60 120.40 113.34 1xqa s VAL 87 Ca 0.44 -1.20 0.08 0.00 -1.81 0.00 0.00 61.98 59.48 1xqa s VAL 87 Cb -0.11 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 1xqa s VAL 87 CO 0.22 -0.66 0.04 -1.83 -0.31 0.00 0.00 175.10 172.56 1xqa s GLU 88 N -2.92 2.06 0.44 4.82 -1.05 -1.26 -5.00 118.70 115.78 1xqa s GLU 88 Ca -0.02 -1.88 -0.25 0.00 -0.15 0.00 0.00 54.97 52.66 1xqa s GLU 88 Cb 0.01 -1.85 -0.09 0.00 -0.44 0.00 0.00 34.13 31.76 1xqa s GLU 88 CO -0.06 0.02 1.30 -2.30 0.95 0.00 0.00 175.26 175.18 1xqa n PRO 89 N -1.02 1.96 -1.49 -4.83 -0.02 -1.26 -4.87 135.00 123.47 1xqa n PRO 89 Ca -0.04 0.70 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 1xqa n PRO 89 Cb 0.64 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1xqa n PRO 89 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xqa s PRO 90 N -2.32 2.28 0.06 0.52 0.02 -1.26 -4.91 135.00 129.39 1xqa s PRO 90 Ca 0.62 1.61 0.09 0.00 0.02 0.00 0.00 61.00 63.35 1xqa s PRO 90 Cb -0.49 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.14 1xqa s PRO 90 CO 0.57 -1.69 -0.26 0.15 -0.33 0.00 0.00 177.00 175.44 1xqa s LYS 91 N -4.04 1.75 -0.44 5.54 1.02 -0.26 -4.86 119.74 118.45 1xqa s LYS 91 Ca 0.71 -1.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.31 1xqa s LYS 91 Cb -0.26 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1xqa s LYS 91 CO 0.45 0.50 0.91 -1.01 -0.92 0.00 0.00 175.35 175.28 1xqa s HIS 92 N -0.85 2.96 0.00 3.18 3.76 -1.26 -1.57 115.29 121.50 1xqa s HIS 92 Ca 0.12 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 1xqa s HIS 92 Cb -0.10 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.71 1xqa s HIS 92 CO 0.03 -1.04 0.00 0.00 -0.85 0.00 0.00 174.74 172.88 1xqa n ALA 93 N 7.04 0.18 -0.93 -1.40 0.00 -1.26 -4.99 120.51 119.15 1xqa n ALA 93 Ca 0.06 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1xqa n ALA 93 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 1xqa n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xqa n ALA 95 N -1.56 -4.74 -2.58 0.00 0.00 -1.26 -5.04 120.51 105.33 1xqa n ALA 95 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 1xqa n ALA 95 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 1xqa n ALA 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xqa s TYR 96 N -2.12 3.07 0.00 0.00 5.04 0.14 -4.88 117.35 118.61 1xqa s TYR 96 Ca 0.45 0.56 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 1xqa s TYR 96 Cb -0.14 -3.56 -0.00 0.00 0.35 0.00 0.00 41.96 38.61 1xqa s TYR 96 CO 0.76 -0.82 -0.03 0.99 -1.34 0.00 0.00 175.55 175.11 1xqa s THR 97 N 3.29 0.20 0.21 4.34 2.01 -0.61 -1.33 115.64 123.75 1xqa s THR 97 Ca 0.34 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.12 1xqa s THR 97 Cb -0.12 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1xqa s THR 97 CO 0.19 -0.00 0.17 0.72 -0.69 0.00 0.00 174.62 175.01 1xqa s PHE 98 N -0.21 1.10 0.11 4.92 -0.12 -0.31 -1.10 117.98 122.37 1xqa s PHE 98 Ca -0.01 -1.32 0.09 0.00 -0.05 0.00 0.00 56.93 55.65 1xqa s PHE 98 Cb -0.02 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 1xqa s PHE 98 CO -0.00 -0.69 -0.24 0.71 -0.05 0.00 0.00 175.22 174.95 1xqa s TYR 99 N -4.11 2.03 -0.02 3.49 2.02 -1.26 -1.08 117.35 118.42 1xqa s TYR 99 Ca 0.37 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1xqa s TYR 99 Cb 0.06 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 1xqa s TYR 99 CO 0.12 0.26 0.06 0.54 -1.57 0.00 0.00 175.55 174.96 1xqa s VAL 100 N -1.09 0.03 -0.29 0.71 0.11 -0.48 -4.69 120.40 114.71 1xqa s VAL 100 Ca 0.10 -0.25 -0.27 0.00 -2.93 0.00 0.00 61.98 58.63 1xqa s VAL 100 Cb -0.10 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1xqa s VAL 100 CO 0.05 -0.14 0.94 -1.61 -3.33 0.00 0.00 175.10 171.01 1xqa s GLU 101 N -0.41 4.08 0.31 1.54 2.02 -1.26 -0.65 118.70 124.33 1xqa s GLU 101 Ca -0.05 0.95 -0.27 0.00 0.02 0.00 0.00 54.97 55.62 1xqa s GLU 101 Cb -0.03 -3.70 -0.09 0.00 0.10 0.00 0.00 34.13 30.40 1xqa s GLU 101 CO 0.00 -0.73 1.01 0.00 0.02 0.00 0.00 175.26 175.56 1xqa s ALA 102 N 3.24 3.25 0.28 5.21 0.00 0.25 -4.96 121.76 129.02 1xqa s ALA 102 Ca 0.40 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 1xqa s ALA 102 Cb -0.14 -3.25 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1xqa s ALA 102 CO 0.12 0.00 0.95 -2.30 0.00 0.00 0.00 175.76 174.53 1xqa n PRO 103 N 0.74 1.19 0.00 0.00 -0.02 -1.26 -1.42 135.00 134.23 1xqa n PRO 103 Ca 0.01 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1xqa n PRO 103 Cb 0.48 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1xqa n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xqa n GLY 104 N 1.31 2.55 0.00 -1.23 0.00 -1.26 -3.96 105.19 102.60 1xqa n GLY 104 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xqa n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqa n GLY 105 N 0.00 1.08 3.08 -0.02 0.00 -0.51 -1.01 105.19 107.81 1xqa n GLY 105 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1xqa n GLY 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xqa s PHE 106 N -2.00 0.69 0.04 1.61 -0.12 -1.24 -4.52 117.98 112.44 1xqa s PHE 106 Ca 0.00 -0.64 -0.19 0.00 -0.05 0.00 0.00 56.93 56.05 1xqa s PHE 106 Cb 0.00 -0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 41.91 1xqa s PHE 106 CO 0.00 -0.13 0.57 0.99 -0.05 0.00 0.00 175.22 176.60 1xqa s THR 107 N -2.11 4.81 -0.09 -4.49 2.01 -1.26 -0.59 115.64 113.93 1xqa s THR 107 Ca -0.04 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1xqa s THR 107 Cb -0.05 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1xqa s THR 107 CO -0.02 0.52 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.70 1xqa s ILE 108 N -0.83 3.40 -0.15 1.82 1.01 0.17 -1.56 121.20 125.06 1xqa s ILE 108 Ca 0.29 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1xqa s ILE 108 Cb -0.19 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1xqa s ILE 108 CO 0.18 0.57 0.08 -0.70 0.00 0.00 0.00 174.94 175.07 1xqa s GLU 109 N -0.40 3.68 -0.03 2.79 2.12 0.61 -1.38 118.70 126.09 1xqa s GLU 109 Ca 0.05 -0.27 0.06 0.00 0.36 0.00 0.00 54.97 55.16 1xqa s GLU 109 Cb -0.12 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 1xqa s GLU 109 CO 0.02 0.50 -0.20 0.08 -0.54 0.00 0.00 175.26 175.13 1xqa s VAL 110 N -0.26 1.58 0.00 3.70 1.01 -0.24 -0.57 120.40 125.62 1xqa s VAL 110 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1xqa s VAL 110 Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1xqa s VAL 110 CO 0.01 0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.56