#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xja n PRO 8 N 0.00 0.65 -0.17 -0.67 -0.02 -1.26 -4.31 135.00 129.22 1xja n PRO 8 Ca 0.00 0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.68 1xja n PRO 8 Cb 0.00 -1.87 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 1xja n PRO 8 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xja h LEU 9 N 6.95 0.19 -6.89 2.45 5.85 -1.64 -3.30 115.31 118.92 1xja h LEU 9 Ca -0.41 0.06 -0.61 0.00 0.84 0.00 0.00 57.88 57.76 1xja h LEU 9 Cb 1.34 0.04 -0.41 0.00 0.37 0.00 0.00 40.66 42.01 1xja h LEU 9 CO 0.98 0.14 -0.70 -0.22 -0.34 0.00 0.00 178.44 178.30 1xja s LEU 10 N -10.37 3.62 0.35 2.25 0.20 -1.26 -5.01 118.68 108.46 1xja s LEU 10 Ca -0.13 -3.46 -0.28 0.00 0.69 0.00 0.00 54.13 50.96 1xja s LEU 10 Cb 0.15 -1.24 -0.12 0.00 -0.43 0.00 0.00 46.19 44.55 1xja s LEU 10 CO 0.73 -0.14 1.26 -0.81 -0.29 0.00 0.00 176.35 177.11 1xja n PRO 11 N 2.45 2.04 -0.00 0.98 -0.04 -1.24 -2.25 135.00 136.94 1xja n PRO 11 Ca 0.20 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 1xja n PRO 11 Cb 0.38 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1xja n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xja n GLY 12 N 0.81 0.88 0.22 0.55 0.00 -1.26 -4.82 105.19 101.57 1xja n GLY 12 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1xja n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xja n TYR 13 N -2.00 0.00 -3.85 1.61 9.36 -0.96 -5.11 117.16 116.21 1xja n TYR 13 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1xja n TYR 13 Cb 0.00 -0.22 0.01 0.00 -0.63 0.00 0.00 39.34 38.50 1xja n TYR 13 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1xja s SER 14 N -4.80 0.11 0.00 2.98 0.15 -1.20 -5.06 113.70 105.89 1xja s SER 14 Ca -0.08 -1.15 0.10 0.00 0.70 0.00 0.00 55.95 55.52 1xja s SER 14 Cb 0.02 0.81 -0.09 0.00 -1.71 0.00 0.00 66.02 65.06 1xja s SER 14 CO 0.13 -1.60 0.49 0.49 1.20 0.00 0.00 173.24 173.95 1xja n PHE 15 N -0.53 0.00 -1.77 3.44 3.01 -1.26 -4.52 117.46 115.83 1xja n PHE 15 Ca -0.07 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.98 1xja n PHE 15 Cb 0.60 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.05 1xja n PHE 15 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1xja s ASN 16 N -1.85 6.37 0.00 4.37 0.01 -1.26 -4.33 114.94 118.25 1xja s ASN 16 Ca 0.05 2.95 0.21 0.00 -0.71 0.00 0.00 52.86 55.36 1xja s ASN 16 Cb 0.08 -2.63 0.38 0.00 0.41 0.00 0.00 41.25 39.49 1xja s ASN 16 CO 0.39 -0.92 1.34 0.00 -1.51 0.00 0.00 177.10 176.40 1xja n ALA 17 N 2.29 2.40 0.00 0.60 0.00 -1.26 -2.05 120.51 122.49 1xja n ALA 17 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1xja n ALA 17 Cb 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1xja n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xja n HIS 18 N 1.35 0.00 -3.71 0.00 8.25 -1.26 -4.49 115.22 115.35 1xja n HIS 18 Ca 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1xja n HIS 18 Cb 0.57 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.56 1xja n HIS 18 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1xja s LEU 19 N -4.31 0.16 0.02 2.41 0.20 -1.26 -1.21 118.68 114.68 1xja s LEU 19 Ca 0.00 0.73 0.04 0.00 0.69 0.00 0.00 54.13 55.58 1xja s LEU 19 Cb 0.00 1.08 -0.02 0.00 -0.43 0.00 0.00 46.19 46.82 1xja s LEU 19 CO 0.00 -0.18 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.08 1xja s VAL 20 N 1.29 0.88 0.24 1.68 1.01 0.68 -4.82 120.40 121.36 1xja s VAL 20 Ca -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1xja s VAL 20 Cb -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1xja s VAL 20 CO -0.10 0.05 0.14 0.00 0.00 0.00 0.00 175.10 175.20 1xja s ALA 21 N -0.63 1.42 -0.04 5.51 0.00 -1.26 0.11 121.76 126.88 1xja s ALA 21 Ca 0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 1xja s ALA 21 Cb -0.06 1.32 0.12 0.00 0.00 0.00 0.00 23.12 24.50 1xja s ALA 21 CO 0.00 -0.57 1.33 0.20 0.00 0.00 0.00 175.76 176.72 1xja s GLY 22 N -3.23 -0.36 0.02 0.00 0.00 -0.60 -4.79 107.32 98.35 1xja s GLY 22 Ca 0.39 0.58 0.06 0.00 0.00 0.00 0.00 44.72 45.74 1xja s GLY 22 CO 0.15 1.69 -0.17 -2.27 0.00 0.00 0.00 173.10 172.50 1xja s LEU 23 N -3.22 2.10 -0.44 0.66 2.96 -1.26 -0.92 118.68 118.56 1xja s LEU 23 Ca 0.19 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1xja s LEU 23 Cb 0.04 -0.82 0.15 0.00 0.50 0.00 0.00 46.19 46.06 1xja s LEU 23 CO -0.04 0.15 0.28 -0.89 -1.32 0.00 0.00 176.35 174.53 1xja s THR 24 N -0.61 0.97 -1.36 3.68 2.01 -0.31 -5.01 115.64 115.01 1xja s THR 24 Ca 0.05 -2.52 -0.15 0.00 0.31 0.00 0.00 61.69 59.39 1xja s THR 24 Cb -0.07 -1.67 0.08 0.00 0.01 0.00 0.00 72.50 70.84 1xja s THR 24 CO 0.00 -1.01 1.93 -0.81 -0.69 0.00 0.00 174.62 174.05 1xja n PRO 25 N 3.37 3.12 -1.69 4.92 -0.04 -1.26 -2.61 135.00 140.81 1xja n PRO 25 Ca 0.15 -3.08 -0.42 0.00 -0.04 0.00 0.00 63.50 60.11 1xja n PRO 25 Cb 0.38 -3.30 -0.00 0.00 -0.04 0.00 0.00 33.50 30.54 1xja n PRO 25 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xja n ILE 26 N 5.33 2.14 -4.38 0.52 2.08 -1.04 -4.89 119.36 119.12 1xja n ILE 26 Ca 0.48 -0.50 -0.28 0.00 0.56 0.00 0.00 62.75 63.01 1xja n ILE 26 Cb 0.42 -1.50 -0.13 0.00 -0.75 0.00 0.00 39.64 37.67 1xja n ILE 26 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1xja s GLU 27 N -1.93 1.35 0.00 0.38 0.41 -1.26 -2.98 118.70 114.68 1xja s GLU 27 Ca 0.57 -1.31 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 1xja s GLU 27 Cb -0.57 -1.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.98 1xja s GLU 27 CO 0.61 0.43 0.00 0.00 -0.49 0.00 0.00 175.26 175.81 1xja n ALA 28 N 0.95 0.00 -1.96 5.21 0.00 0.04 -1.62 120.51 123.13 1xja n ALA 28 Ca -0.18 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.30 1xja n ALA 28 Cb 0.53 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.06 1xja n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xja n ASN 29 N -0.61 1.15 -3.37 0.00 4.13 -1.26 -4.92 115.26 110.38 1xja n ASN 29 Ca 0.00 -2.63 -0.28 0.00 1.68 0.00 0.00 54.58 53.35 1xja n ASN 29 Cb 0.00 -0.35 0.25 0.00 -1.54 0.00 0.00 39.78 38.14 1xja n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xja n GLY 30 N -0.29 -3.26 0.28 7.41 0.00 -0.64 -4.85 105.19 103.85 1xja n GLY 30 Ca 0.09 -1.41 0.15 0.00 0.00 0.00 0.00 46.02 44.86 1xja n GLY 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xja h VAL 31 N -3.03 0.35 0.00 1.61 -1.51 -1.99 -2.53 116.25 109.15 1xja h VAL 31 Ca -0.38 -0.44 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 1xja h VAL 31 Cb 1.20 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 31.69 1xja h VAL 31 CO 0.24 0.07 -1.09 0.18 -1.23 0.00 0.00 177.57 175.74 1xja n LEU 32 N -3.42 0.80 -4.56 4.19 4.77 -1.26 -4.82 117.00 112.70 1xja n LEU 32 Ca -0.01 0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 56.04 1xja n LEU 32 Cb 0.22 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1xja n LEU 32 CO 0.28 -0.16 1.34 -0.62 -1.33 0.00 0.00 177.39 176.90 1xja s ASP 33 N -5.34 4.82 0.19 -1.43 2.15 -0.96 -4.84 116.67 111.26 1xja s ASP 33 Ca -0.01 -0.75 -0.05 0.00 0.43 0.00 0.00 52.55 52.17 1xja s ASP 33 Cb 0.10 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 1xja s ASP 33 CO 0.80 -3.11 0.33 2.22 -0.17 0.00 0.00 175.17 175.24 1xja n PHE 34 N 15.16 -1.39 -4.80 -5.34 1.16 -1.26 -4.85 117.46 116.13 1xja n PHE 34 Ca 0.42 -1.01 -0.33 0.00 -1.87 0.00 0.00 57.45 54.66 1xja n PHE 34 Cb 0.46 0.38 -0.12 0.00 -1.61 0.00 0.00 39.48 38.59 1xja n PHE 34 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1xja s PHE 35 N -5.03 2.77 -0.15 2.97 0.40 -1.26 -4.42 117.98 113.26 1xja s PHE 35 Ca 0.10 -0.11 -0.13 0.00 -0.60 0.00 0.00 56.93 56.20 1xja s PHE 35 Cb -0.02 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 1xja s PHE 35 CO 0.08 0.23 0.27 0.42 0.70 0.00 0.00 175.22 176.92 1xja s ILE 36 N -0.76 5.31 -0.22 0.64 -1.09 -0.80 -4.97 121.20 119.31 1xja s ILE 36 Ca 0.12 0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 59.02 1xja s ILE 36 Cb -0.11 -3.61 0.07 0.00 -1.58 0.00 0.00 42.46 37.24 1xja s ILE 36 CO 0.01 0.42 0.07 -0.62 -1.23 0.00 0.00 174.94 173.59 1xja s ASP 37 N 0.26 3.06 -0.83 3.58 2.15 -1.26 -2.30 116.67 121.33 1xja s ASP 37 Ca 0.16 -0.97 -0.01 0.00 0.43 0.00 0.00 52.55 52.16 1xja s ASP 37 Cb -0.13 -0.52 0.20 0.00 -0.30 0.00 0.00 42.92 42.18 1xja s ASP 37 CO 0.04 -0.35 0.69 -0.13 -0.17 0.00 0.00 175.17 175.24 1xja s ARG 38 N 1.92 3.06 0.32 4.34 0.52 0.85 -4.96 118.95 125.01 1xja s ARG 38 Ca 0.03 -3.18 0.09 0.00 -0.52 0.00 0.00 55.73 52.15 1xja s ARG 38 Cb -0.17 -3.85 0.94 0.00 0.52 0.00 0.00 34.95 32.40 1xja s ARG 38 CO -0.16 -1.25 1.61 -1.00 0.02 0.00 0.00 175.30 174.52 1xja h PRO 39 N 6.08 0.10 -0.52 3.54 0.13 -1.94 0.21 132.00 139.60 1xja h PRO 39 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xja h PRO 39 Cb 0.83 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1xja h PRO 39 CO 0.81 0.07 0.00 1.28 -0.23 0.00 0.00 178.00 179.93 1xja n LEU 40 N -5.29 3.63 0.00 1.56 4.77 -1.26 -4.66 117.00 115.74 1xja n LEU 40 Ca 0.28 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1xja n LEU 40 Cb 0.91 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1xja n LEU 40 CO 0.01 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1xja n GLY 41 N 1.51 0.03 3.13 -0.72 0.00 0.73 -4.27 105.19 105.59 1xja n GLY 41 Ca 0.21 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1xja n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xja s MET 42 N 0.00 0.72 0.48 1.61 1.00 -1.26 -4.85 119.30 117.00 1xja s MET 42 Ca 0.00 -1.10 0.23 0.00 0.00 0.00 0.00 55.69 54.82 1xja s MET 42 Cb 0.00 -0.28 1.21 0.00 0.00 0.00 0.00 34.83 35.76 1xja s MET 42 CO 0.00 0.02 1.99 1.57 0.00 0.00 0.00 175.02 178.60 1xja h LYS 43 N 3.59 0.00 0.00 2.03 -0.00 -1.94 -1.78 116.57 118.47 1xja h LYS 43 Ca -0.36 0.00 -0.34 0.00 -0.00 0.00 0.00 60.65 59.96 1xja h LYS 43 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.39 1xja h LYS 43 CO 0.55 0.18 -0.13 0.41 -0.00 0.00 0.00 179.45 180.46 1xja n GLY 44 N -0.59 2.62 3.88 0.07 0.00 -1.26 -4.60 105.19 105.32 1xja n GLY 44 Ca -0.02 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 1xja n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xja s TYR 45 N -1.53 3.44 -0.05 1.61 1.51 0.02 -3.53 117.35 118.82 1xja s TYR 45 Ca 0.24 0.81 0.03 0.00 -1.01 0.00 0.00 57.07 57.14 1xja s TYR 45 Cb -0.02 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1xja s TYR 45 CO 0.15 0.27 -0.15 0.42 -1.11 0.00 0.00 175.55 175.13 1xja s ILE 46 N -1.84 1.29 -0.14 2.71 -1.09 -0.45 -1.62 121.20 120.06 1xja s ILE 46 Ca 0.46 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 58.29 1xja s ILE 46 Cb -0.11 -1.13 0.01 0.00 -1.58 0.00 0.00 42.46 39.65 1xja s ILE 46 CO 0.23 0.38 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.35 1xja s LEU 47 N 0.25 2.06 -0.13 2.97 1.43 -0.48 -0.80 118.68 123.98 1xja s LEU 47 Ca -0.07 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 1xja s LEU 47 Cb -0.13 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1xja s LEU 47 CO 0.03 0.06 -0.22 0.21 0.23 0.00 0.00 176.35 176.66 1xja s ASN 48 N 0.89 3.17 -0.10 2.29 3.84 -0.44 -1.30 114.94 123.30 1xja s ASN 48 Ca -0.06 -0.58 0.02 0.00 0.21 0.00 0.00 52.86 52.46 1xja s ASN 48 Cb -0.15 -1.45 -0.01 0.00 -0.55 0.00 0.00 41.25 39.08 1xja s ASN 48 CO -0.03 0.10 -0.17 -0.22 -2.79 0.00 0.00 177.10 173.99 1xja s LEU 49 N 0.70 2.50 -0.26 3.21 2.96 0.92 -0.88 118.68 127.82 1xja s LEU 49 Ca -0.10 -0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 53.29 1xja s LEU 49 Cb -0.16 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1xja s LEU 49 CO 0.01 0.21 0.33 -0.89 -1.32 0.00 0.00 176.35 174.68 1xja s THR 50 N 0.10 5.21 -0.10 3.68 2.01 -1.09 -0.13 115.64 125.32 1xja s THR 50 Ca -0.08 0.49 0.16 0.00 0.31 0.00 0.00 61.69 62.57 1xja s THR 50 Cb -0.15 -3.66 -0.23 0.00 0.01 0.00 0.00 72.50 68.47 1xja s THR 50 CO 0.05 0.20 0.20 2.30 -0.69 0.00 0.00 174.62 176.67 1xja n ILE 51 N 4.96 0.66 -3.71 1.82 -5.35 -0.05 0.35 119.36 118.02 1xja n ILE 51 Ca -0.10 -0.58 -0.13 0.00 -0.27 0.00 0.00 62.75 61.68 1xja n ILE 51 Cb 0.51 -0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 38.03 1xja n ILE 51 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xja s ARG 52 N -2.75 0.53 2.22 6.28 3.52 -1.07 -4.81 118.95 122.88 1xja s ARG 52 Ca -0.07 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1xja s ARG 52 Cb 0.08 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1xja s ARG 52 CO 0.70 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 1xja n GLY 53 N 2.95 -1.22 2.99 8.12 0.00 -1.26 -1.15 105.19 115.61 1xja n GLY 53 Ca -0.14 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 1xja n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xja s GLN 54 N 0.00 0.34 0.37 1.61 -0.21 -1.06 -3.77 119.66 116.94 1xja s GLN 54 Ca 0.00 -0.64 0.04 0.00 0.02 0.00 0.00 55.36 54.78 1xja s GLN 54 Cb 0.00 0.09 -0.06 0.00 1.00 0.00 0.00 33.01 34.04 1xja s GLN 54 CO 0.00 -0.05 0.05 0.20 -2.12 0.00 0.00 175.29 173.38 1xja s GLY 55 N -1.52 2.34 -0.08 3.09 0.00 -0.65 -0.81 107.32 109.69 1xja s GLY 55 Ca -0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 44.72 42.73 1xja s GLY 55 CO -0.01 -1.92 0.03 -1.34 0.00 0.00 0.00 173.10 169.86 1xja s VAL 56 N -3.12 0.19 -0.03 1.40 -7.23 -0.30 -0.70 120.40 110.61 1xja s VAL 56 Ca 0.31 0.13 -0.01 0.00 -1.81 0.00 0.00 61.98 60.60 1xja s VAL 56 Cb 0.07 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1xja s VAL 56 CO 0.15 0.14 0.07 0.68 -0.31 0.00 0.00 175.10 175.82 1xja s VAL 57 N 2.04 4.69 0.07 1.32 -7.23 0.13 -2.52 120.40 118.89 1xja s VAL 57 Ca 0.04 -0.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 1xja s VAL 57 Cb -0.13 -3.10 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 1xja s VAL 57 CO -0.05 0.43 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.52 1xja s LYS 58 N -1.49 0.74 -0.22 4.82 1.02 0.34 -0.38 119.74 124.57 1xja s LYS 58 Ca 0.20 -0.96 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 1xja s LYS 58 Cb -0.12 -0.56 0.12 0.00 -0.52 0.00 0.00 37.83 36.75 1xja s LYS 58 CO 0.10 0.11 0.37 1.21 -0.92 0.00 0.00 175.35 176.22 1xja s ASN 59 N -1.92 0.21 -1.27 2.83 3.84 0.36 -4.35 114.94 114.65 1xja s ASN 59 Ca -0.02 0.38 -0.16 0.00 0.21 0.00 0.00 52.86 53.26 1xja s ASN 59 Cb -0.08 1.09 0.01 0.00 -0.55 0.00 0.00 41.25 41.72 1xja s ASN 59 CO 0.01 -0.28 0.60 0.00 -2.79 0.00 0.00 177.10 174.63 1xja n GLN 60 N 5.37 -1.57 0.00 0.43 6.02 -1.26 -1.17 117.38 125.20 1xja n GLN 60 Ca -0.05 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1xja n GLN 60 Cb 0.50 -3.83 0.00 0.00 1.02 0.00 0.00 30.24 27.93 1xja n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xja n GLY 61 N -1.94 2.85 3.78 1.08 0.00 -1.26 -5.01 105.19 104.69 1xja n GLY 61 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1xja n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xja s ARG 62 N -0.43 4.20 -0.07 1.61 0.52 -0.31 -5.08 118.95 119.39 1xja s ARG 62 Ca 0.00 0.57 0.04 0.00 -0.52 0.00 0.00 55.73 55.83 1xja s ARG 62 Cb 0.00 -3.32 -0.00 0.00 0.52 0.00 0.00 34.95 32.15 1xja s ARG 62 CO 0.00 0.45 -0.21 -1.21 0.02 0.00 0.00 175.30 174.35 1xja s GLU 63 N -0.38 2.50 -0.08 3.54 2.02 -1.26 -0.49 118.70 124.56 1xja s GLU 63 Ca 0.27 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.52 1xja s GLU 63 Cb -0.17 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.08 1xja s GLU 63 CO 0.15 0.21 -0.14 0.12 0.02 0.00 0.00 175.26 175.62 1xja s PHE 64 N 0.23 1.66 -0.19 1.61 5.36 0.49 -4.98 117.98 122.16 1xja s PHE 64 Ca -0.12 -0.66 -0.16 0.00 -0.96 0.00 0.00 56.93 55.03 1xja s PHE 64 Cb -0.16 -1.20 -0.04 0.00 -0.34 0.00 0.00 43.02 41.28 1xja s PHE 64 CO 0.06 -0.34 0.39 0.08 -1.46 0.00 0.00 175.22 173.95 1xja s VAL 65 N 0.73 5.21 -0.20 3.12 1.01 -1.26 0.19 120.40 129.21 1xja s VAL 65 Ca -0.13 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 1xja s VAL 65 Cb -0.16 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1xja s VAL 65 CO 0.03 0.28 0.07 0.00 0.00 0.00 0.00 175.10 175.48 1xja s ARG 67 N 0.57 2.72 0.20 0.00 3.00 -1.26 -1.64 118.95 122.54 1xja s ARG 67 Ca 0.04 -1.33 -0.32 0.00 0.00 0.00 0.00 55.73 54.12 1xja s ARG 67 Cb -0.13 -2.51 -0.14 0.00 0.00 0.00 0.00 34.95 32.17 1xja s ARG 67 CO 0.01 -0.02 1.35 -2.30 0.00 0.00 0.00 175.30 174.34 1xja n PRO 68 N -1.49 1.71 0.00 3.54 -0.02 -1.25 -1.04 135.00 136.45 1xja n PRO 68 Ca 0.01 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1xja n PRO 68 Cb 0.60 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1xja n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xja n GLY 69 N 2.31 0.65 3.69 -1.23 0.00 0.15 -4.98 105.19 105.79 1xja n GLY 69 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1xja n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xja s ASP 70 N -2.22 7.02 -0.20 1.61 1.01 -0.21 -4.38 116.67 119.30 1xja s ASP 70 Ca 0.00 1.24 -0.05 0.00 0.71 0.00 0.00 52.55 54.46 1xja s ASP 70 Cb 0.00 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 1xja s ASP 70 CO 0.00 -0.27 -0.02 -0.63 0.21 0.00 0.00 175.17 174.46 1xja s ILE 71 N 1.48 3.75 0.06 0.77 1.01 -0.71 -2.68 121.20 124.88 1xja s ILE 71 Ca 0.40 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1xja s ILE 71 Cb -0.18 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1xja s ILE 71 CO 0.17 0.43 -0.01 -0.76 0.00 0.00 0.00 174.94 174.76 1xja s LEU 72 N 1.14 3.42 -0.12 2.97 1.02 -0.06 -1.05 118.68 126.01 1xja s LEU 72 Ca 0.02 -0.14 0.03 0.00 0.02 0.00 0.00 54.13 54.06 1xja s LEU 72 Cb -0.14 -2.09 0.01 0.00 0.02 0.00 0.00 46.19 43.98 1xja s LEU 72 CO 0.01 0.21 -0.22 -0.22 0.02 0.00 0.00 176.35 176.16 1xja s LEU 73 N -2.01 2.04 -0.31 1.79 2.96 -0.45 -1.32 118.68 121.38 1xja s LEU 73 Ca 0.23 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1xja s LEU 73 Cb -0.12 -1.36 0.08 0.00 0.50 0.00 0.00 46.19 45.29 1xja s LEU 73 CO 0.15 0.10 0.00 -0.36 -1.32 0.00 0.00 176.35 174.92 1xja s PHE 74 N 0.64 3.53 0.90 5.38 0.40 0.02 -1.58 117.98 127.27 1xja s PHE 74 Ca -0.12 -2.62 -0.12 0.00 -0.60 0.00 0.00 56.93 53.47 1xja s PHE 74 Cb -0.16 -2.53 0.13 0.00 0.51 0.00 0.00 43.02 40.97 1xja s PHE 74 CO 0.03 -0.91 1.10 -2.14 0.70 0.00 0.00 175.22 173.99 1xja s PRO 75 N 1.02 1.22 0.20 0.24 0.02 -1.26 -1.34 135.00 135.10 1xja s PRO 75 Ca 0.02 0.71 -0.32 0.00 0.02 0.00 0.00 61.00 61.43 1xja s PRO 75 Cb -0.20 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 1xja s PRO 75 CO -0.06 -2.24 1.65 -2.30 -0.33 0.00 0.00 177.00 173.73 1xja n PRO 76 N -3.86 2.53 0.00 5.54 -0.02 -1.23 -1.81 135.00 136.15 1xja n PRO 76 Ca 0.07 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1xja n PRO 76 Cb 0.56 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1xja n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xja n GLY 77 N 3.57 3.12 3.75 -1.23 0.00 -0.67 -4.93 105.19 108.80 1xja n GLY 77 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1xja n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xja s GLU 78 N -0.35 3.13 0.30 1.61 2.56 -0.75 -4.07 118.70 121.12 1xja s GLU 78 Ca 0.00 2.25 -0.29 0.00 0.00 0.00 0.00 54.97 56.93 1xja s GLU 78 Cb 0.00 -2.26 -0.10 0.00 2.00 0.00 0.00 34.13 33.78 1xja s GLU 78 CO 0.00 -1.20 1.11 0.42 -0.56 0.00 0.00 175.26 175.02 1xja s ILE 79 N -1.29 3.46 -0.11 -3.70 1.01 -1.26 -3.50 121.20 115.80 1xja s ILE 79 Ca 0.72 1.43 0.01 0.00 0.00 0.00 0.00 60.65 62.81 1xja s ILE 79 Cb -0.41 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 1xja s ILE 79 CO 0.48 0.31 -0.16 -1.00 0.00 0.00 0.00 174.94 174.58 1xja s HIS 80 N -1.21 2.73 -0.31 3.97 3.76 -1.14 -4.96 115.29 118.13 1xja s HIS 80 Ca 0.46 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1xja s HIS 80 Cb -0.31 -1.79 0.19 0.00 1.11 0.00 0.00 32.58 31.78 1xja s HIS 80 CO 0.40 -0.22 0.75 -1.58 -0.85 0.00 0.00 174.74 173.25 1xja s HIS 81 N 0.23 -1.36 0.21 1.40 5.04 -1.23 -0.10 115.29 119.48 1xja s HIS 81 Ca -0.10 0.68 -0.15 0.00 -1.54 0.00 0.00 55.06 53.94 1xja s HIS 81 Cb -0.16 0.24 0.01 0.00 0.04 0.00 0.00 32.58 32.71 1xja s HIS 81 CO 0.06 -0.82 0.48 1.52 -2.34 0.00 0.00 174.74 173.64 1xja s TYR 82 N 2.67 0.10 -0.01 3.88 -0.85 -0.97 -0.50 117.35 121.66 1xja s TYR 82 Ca 0.16 -0.46 -0.10 0.00 -0.52 0.00 0.00 57.07 56.15 1xja s TYR 82 Cb -0.06 0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.59 1xja s TYR 82 CO -0.22 -0.92 0.46 0.41 -1.52 0.00 0.00 175.55 173.76 1xja n GLY 83 N -0.33 0.49 3.75 5.49 0.00 -1.05 -1.90 105.19 111.65 1xja n GLY 83 Ca -0.07 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1xja n GLY 83 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xja s ARG 84 N -2.01 4.33 -0.04 1.61 3.52 -1.26 -1.15 118.95 123.95 1xja s ARG 84 Ca 0.11 2.22 -0.30 0.00 -0.13 0.00 0.00 55.73 57.64 1xja s ARG 84 Cb -0.00 -3.11 -0.07 0.00 -1.56 0.00 0.00 34.95 30.21 1xja s ARG 84 CO -0.00 -0.29 1.94 -1.58 -0.81 0.00 0.00 175.30 174.56 1xja s HIS 85 N -0.49 1.41 -0.10 5.12 5.65 0.01 -4.62 115.29 122.27 1xja s HIS 85 Ca 0.54 -0.13 0.07 0.00 0.25 0.00 0.00 55.06 55.80 1xja s HIS 85 Cb -0.40 -4.13 0.39 0.00 -1.18 0.00 0.00 32.58 27.26 1xja s HIS 85 CO 0.47 -4.90 1.05 -2.30 -0.65 0.00 0.00 174.74 168.40 1xja n PRO 86 N 7.71 0.05 -0.63 2.88 -0.02 -1.26 -1.13 135.00 142.60 1xja n PRO 86 Ca 0.21 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 62.15 1xja n PRO 86 Cb 0.42 -2.01 0.21 0.00 -0.02 0.00 0.00 33.50 32.11 1xja n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xja n GLU 87 N -1.75 2.14 -4.26 -0.52 4.71 -1.26 -5.00 120.64 114.70 1xja n GLU 87 Ca -0.00 -3.03 -0.18 0.00 -0.01 0.00 0.00 57.16 53.93 1xja n GLU 87 Cb 0.36 -1.80 -0.13 0.00 -1.01 0.00 0.00 31.44 28.86 1xja n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xja s ALA 88 N -3.09 1.03 0.18 0.62 0.00 -0.28 -5.04 121.76 115.18 1xja s ALA 88 Ca 0.43 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1xja s ALA 88 Cb 0.38 -0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.52 1xja s ALA 88 CO 0.03 0.17 1.76 0.00 0.00 0.00 0.00 175.76 177.72 1xja h ARG 89 N 4.83 0.40 -4.04 0.00 3.08 -1.94 -3.45 114.38 113.25 1xja h ARG 89 Ca -0.37 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.44 1xja h ARG 89 Cb 1.19 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 31.06 1xja h ARG 89 CO 0.43 0.26 -0.21 -1.83 -1.07 0.00 0.00 179.97 177.55 1xja s GLU 90 N -6.13 1.76 -0.38 0.04 1.03 -1.26 -0.78 118.70 112.97 1xja s GLU 90 Ca -0.13 -1.62 0.03 0.00 0.03 0.00 0.00 54.97 53.28 1xja s GLU 90 Cb 0.14 0.44 0.16 0.00 -0.80 0.00 0.00 34.13 34.06 1xja s GLU 90 CO 0.73 -0.72 0.35 -0.46 -1.33 0.00 0.00 175.26 173.83 1xja s TRP 91 N -3.38 0.10 -0.41 4.83 -0.00 -1.16 -2.58 118.94 116.34 1xja s TRP 91 Ca 0.29 -1.27 -0.22 0.00 -0.00 0.00 0.00 56.10 54.91 1xja s TRP 91 Cb 0.00 -0.57 0.02 0.00 -0.00 0.00 0.00 33.47 32.92 1xja s TRP 91 CO 0.17 -0.93 0.71 0.71 -0.00 0.00 0.00 176.95 177.60 1xja s TYR 92 N 1.06 3.07 0.00 5.86 1.51 -0.30 -2.50 117.35 126.05 1xja s TYR 92 Ca 0.21 0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 1xja s TYR 92 Cb -0.13 -3.40 -0.01 0.00 -0.11 0.00 0.00 41.96 38.31 1xja s TYR 92 CO -0.05 -0.83 -0.11 -3.38 -1.11 0.00 0.00 175.55 170.08 1xja s HIS 93 N 2.98 0.99 -0.01 2.71 -3.43 -1.07 -0.87 115.29 116.59 1xja s HIS 93 Ca 0.27 -0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 54.28 1xja s HIS 93 Cb -0.13 -0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 30.35 1xja s HIS 93 CO 0.19 -0.01 0.17 -0.65 -2.00 0.00 0.00 174.74 172.43 1xja s GLN 94 N -0.47 3.38 0.07 -0.38 -0.21 0.82 -1.16 119.66 121.71 1xja s GLN 94 Ca 0.03 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.07 1xja s GLN 94 Cb -0.05 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 1xja s GLN 94 CO -0.00 0.67 -0.05 1.67 -2.12 0.00 0.00 175.29 175.46 1xja s TRP 95 N -1.30 0.68 -0.05 0.91 1.48 -0.10 -0.06 118.94 120.50 1xja s TRP 95 Ca 0.26 -0.89 -0.02 0.00 -1.06 0.00 0.00 56.10 54.39 1xja s TRP 95 Cb -0.13 -0.43 0.04 0.00 -1.16 0.00 0.00 33.47 31.79 1xja s TRP 95 CO 0.18 -0.23 0.09 0.54 -4.06 0.00 0.00 176.95 173.46 1xja s VAL 96 N -3.30 -0.12 -0.23 -0.66 0.11 -0.42 -1.56 120.40 114.22 1xja s VAL 96 Ca 0.05 0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 59.35 1xja s VAL 96 Cb 0.03 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1xja s VAL 96 CO -0.06 0.13 0.03 -0.47 -3.33 0.00 0.00 175.10 171.40 1xja s TYR 97 N 1.69 3.05 0.20 1.54 5.04 0.29 -1.38 117.35 127.79 1xja s TYR 97 Ca -0.02 -0.54 -0.04 0.00 -2.44 0.00 0.00 57.07 54.02 1xja s TYR 97 Cb -0.12 -2.17 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 1xja s TYR 97 CO -0.04 -0.37 0.22 -0.59 -1.34 0.00 0.00 175.55 173.42 1xja s PHE 98 N 1.44 0.88 -0.21 4.97 -0.71 -0.64 -0.23 117.98 123.48 1xja s PHE 98 Ca 0.05 -1.16 -0.06 0.00 -1.04 0.00 0.00 56.93 54.72 1xja s PHE 98 Cb -0.15 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 1xja s PHE 98 CO 0.02 -0.72 0.03 1.03 -1.34 0.00 0.00 175.22 174.24 1xja s ARG 99 N -4.10 3.68 0.12 1.99 0.52 -0.35 -0.80 118.95 120.02 1xja s ARG 99 Ca 0.32 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 54.73 1xja s ARG 99 Cb 0.05 -3.17 -0.08 0.00 0.52 0.00 0.00 34.95 32.27 1xja s ARG 99 CO 0.09 -0.01 1.44 -1.25 0.02 0.00 0.00 175.30 175.60 1xja s PRO 100 N 1.09 4.29 0.80 3.54 0.04 -1.26 -4.91 135.00 138.58 1xja s PRO 100 Ca 0.03 2.15 -0.13 0.00 0.04 0.00 0.00 61.00 63.09 1xja s PRO 100 Cb -0.14 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.23 1xja s PRO 100 CO 0.02 -0.49 1.17 1.03 0.04 0.00 0.00 177.00 178.77 1xja s ARG 101 N 1.19 1.79 0.11 4.56 0.52 -1.26 -4.92 118.95 120.94 1xja s ARG 101 Ca 0.66 1.59 -0.31 0.00 -0.52 0.00 0.00 55.73 57.15 1xja s ARG 101 Cb -0.38 -1.81 -0.10 0.00 0.52 0.00 0.00 34.95 33.17 1xja s ARG 101 CO 0.30 -2.07 1.59 0.00 0.02 0.00 0.00 175.30 175.15 1xja h ALA 102 N -0.95 -0.73 0.00 2.13 0.00 -2.05 -2.75 119.26 114.91 1xja h ALA 102 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xja h ALA 102 Cb 1.27 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xja h ALA 102 CO 0.47 -0.97 0.00 2.48 0.00 0.00 0.00 179.25 181.23 1xja n TYR 103 N -5.46 0.00 0.07 0.00 4.11 -1.26 -3.14 117.16 111.47 1xja n TYR 103 Ca -0.08 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.94 1xja n TYR 103 Cb 0.37 -0.01 -0.08 0.00 -0.00 0.00 0.00 39.34 39.62 1xja n TYR 103 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.86 177.77 1xja n TRP 104 N -0.37 0.48 -0.35 -3.48 7.02 -1.04 -4.42 117.44 115.29 1xja n TRP 104 Ca 0.00 0.14 0.07 0.00 -1.02 0.00 0.00 57.50 56.69 1xja n TRP 104 Cb 0.03 -0.72 0.17 0.00 -2.42 0.00 0.00 31.31 28.37 1xja n TRP 104 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1xja h HIS 105 N 0.00 -0.43 -0.65 -5.99 3.86 -1.71 0.28 115.15 110.52 1xja h HIS 105 Ca 0.00 0.09 0.12 0.00 -1.16 0.00 0.00 60.37 59.42 1xja h HIS 105 Cb 0.99 0.34 -0.09 0.00 1.06 0.00 0.00 27.41 29.71 1xja h HIS 105 CO 0.00 -0.42 0.18 0.93 0.86 0.00 0.00 177.93 179.48 1xja h GLU 106 N 0.00 0.30 -0.07 2.45 5.08 -1.87 -1.73 114.58 118.74 1xja h GLU 106 Ca 0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1xja h GLU 106 Cb 0.81 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1xja h GLU 106 CO -0.99 0.20 0.00 0.91 -1.00 0.00 0.00 179.01 178.13 1xja n TRP 107 N -5.09 0.10 -0.79 4.33 8.01 0.97 -3.62 117.44 121.34 1xja n TRP 107 Ca 0.11 -0.05 0.08 0.00 -1.31 0.00 0.00 57.50 56.32 1xja n TRP 107 Cb 0.36 0.00 0.17 0.00 -2.01 0.00 0.00 31.31 29.82 1xja n TRP 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1xja n LEU 108 N -0.33 2.94 -3.85 -0.99 4.77 -0.65 -4.79 117.00 114.10 1xja n LEU 108 Ca 0.08 -2.79 -0.42 0.00 -0.03 0.00 0.00 56.01 52.85 1xja n LEU 108 Cb 0.10 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1xja n LEU 108 CO 0.06 0.67 1.49 -3.20 -1.33 0.00 0.00 177.39 175.08 1xja n ASN 109 N -0.73 6.52 -4.86 -1.43 2.85 -1.24 -5.01 115.26 111.35 1xja n ASN 109 Ca 0.15 -3.39 -0.31 0.00 -0.11 0.00 0.00 54.58 50.93 1xja n ASN 109 Cb 0.66 -1.30 0.02 0.00 1.24 0.00 0.00 39.78 40.40 1xja n ASN 109 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1xja s TRP 110 N -2.34 3.48 0.47 1.20 0.52 -1.26 -5.04 118.94 115.97 1xja s TRP 110 Ca 0.37 1.27 -0.22 0.00 0.02 0.00 0.00 56.10 57.54 1xja s TRP 110 Cb 0.10 -2.81 -0.08 0.00 -1.15 0.00 0.00 33.47 29.53 1xja s TRP 110 CO 0.02 -0.88 1.09 -2.14 0.02 0.00 0.00 176.95 175.06 1xja s PRO 111 N -5.19 3.79 0.17 4.98 0.02 -1.26 -4.73 135.00 132.78 1xja s PRO 111 Ca 0.56 1.54 -0.05 0.00 0.02 0.00 0.00 61.00 63.07 1xja s PRO 111 Cb -0.12 -2.25 -0.06 0.00 0.02 0.00 0.00 34.50 32.10 1xja s PRO 111 CO 0.54 -0.47 0.41 -1.12 -0.33 0.00 0.00 177.00 176.03 1xja s SER 112 N -1.71 6.49 0.01 2.53 0.01 -1.26 -1.37 113.70 118.40 1xja s SER 112 Ca 0.65 0.61 0.22 0.00 1.31 0.00 0.00 55.95 58.74 1xja s SER 112 Cb -0.22 -2.10 -0.12 0.00 0.21 0.00 0.00 66.02 63.79 1xja s SER 112 CO 0.26 0.01 0.87 2.30 0.41 0.00 0.00 173.24 177.09 1xja n ILE 113 N -0.11 0.07 0.00 1.44 -5.35 -0.83 -4.91 119.36 109.66 1xja n ILE 113 Ca -0.02 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1xja n ILE 113 Cb 0.52 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 1xja n ILE 113 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1xja n PHE 114 N -1.85 0.00 0.00 4.28 1.16 -1.26 -5.03 117.46 114.76 1xja n PHE 114 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1xja n PHE 114 Cb 0.42 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.29 1xja n PHE 114 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xja n ALA 115 N -0.73 0.00 -2.18 1.98 0.00 -1.26 -2.00 120.51 116.32 1xja n ALA 115 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1xja n ALA 115 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1xja n ALA 115 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xja n ASN 116 N 5.43 2.60 -4.35 0.00 4.05 -1.26 -4.88 115.26 116.85 1xja n ASN 116 Ca 0.00 -3.08 -0.45 0.00 0.45 0.00 0.00 54.58 51.49 1xja n ASN 116 Cb 0.00 -0.41 -0.06 0.00 1.23 0.00 0.00 39.78 40.54 1xja n ASN 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1xja s THR 117 N -3.22 5.12 0.82 -0.44 2.01 -0.85 -4.50 115.64 114.59 1xja s THR 117 Ca 0.39 -1.22 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 1xja s THR 117 Cb 0.38 -4.31 0.09 0.00 0.01 0.00 0.00 72.50 68.66 1xja s THR 117 CO -0.05 -0.84 1.12 -0.83 -0.69 0.00 0.00 174.62 173.33 1xja s GLY 118 N 3.29 1.72 0.02 4.40 0.00 -0.61 -1.97 107.32 114.17 1xja s GLY 118 Ca 0.06 0.42 -0.07 0.00 0.00 0.00 0.00 44.72 45.12 1xja s GLY 118 CO 0.05 0.80 0.14 -0.11 0.00 0.00 0.00 173.10 173.98 1xja s PHE 119 N -2.76 0.08 -0.29 1.90 -0.12 -0.47 -1.34 117.98 114.98 1xja s PHE 119 Ca 0.64 -0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 57.24 1xja s PHE 119 Cb -0.20 -0.07 0.17 0.00 -0.63 0.00 0.00 43.02 42.30 1xja s PHE 119 CO 0.56 -0.34 0.57 0.12 -0.05 0.00 0.00 175.22 176.08 1xja s PHE 120 N -1.96 -1.44 -0.32 3.49 5.36 -0.21 -4.38 117.98 118.51 1xja s PHE 120 Ca -0.10 1.68 -0.00 0.00 -0.96 0.00 0.00 56.93 57.55 1xja s PHE 120 Cb -0.04 0.52 0.07 0.00 -0.34 0.00 0.00 43.02 43.23 1xja s PHE 120 CO -0.01 -0.82 0.02 0.50 -1.46 0.00 0.00 175.22 173.46 1xja s ARG 121 N 2.82 2.15 0.78 10.12 3.52 -1.26 -1.75 118.95 135.33 1xja s ARG 121 Ca 0.16 -1.49 -0.12 0.00 -0.13 0.00 0.00 55.73 54.14 1xja s ARG 121 Cb -0.15 -3.20 0.07 0.00 -1.56 0.00 0.00 34.95 30.11 1xja s ARG 121 CO -0.20 -0.75 1.13 -2.14 -0.81 0.00 0.00 175.30 172.54 1xja s PRO 122 N 1.14 2.00 0.86 5.12 0.02 -1.26 -4.99 135.00 137.89 1xja s PRO 122 Ca -0.01 1.44 -0.12 0.00 0.02 0.00 0.00 61.00 62.34 1xja s PRO 122 Cb -0.20 -1.85 0.11 0.00 0.02 0.00 0.00 34.50 32.58 1xja s PRO 122 CO -0.04 -1.88 1.11 0.16 -0.33 0.00 0.00 177.00 176.02 1xja s ASP 123 N -2.75 3.90 0.38 2.53 -4.77 -1.26 -4.56 116.67 110.13 1xja s ASP 123 Ca 0.67 1.21 0.12 0.00 -3.30 0.00 0.00 52.55 51.25 1xja s ASP 123 Cb -0.22 -1.88 0.92 0.00 -1.09 0.00 0.00 42.92 40.65 1xja s ASP 123 CO 0.51 -2.34 1.86 1.05 0.70 0.00 0.00 175.17 176.95 1xja h GLU 124 N -1.34 0.56 0.00 2.11 9.09 -1.99 0.12 114.58 123.12 1xja h GLU 124 Ca -0.49 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1xja h GLU 124 Cb 1.30 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1xja h GLU 124 CO 0.59 0.37 0.00 0.00 0.05 0.00 0.00 179.01 180.02 1xja n ALA 125 N -2.46 1.60 -0.02 1.06 0.00 -1.26 -3.17 120.51 116.26 1xja n ALA 125 Ca 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.66 1xja n ALA 125 Cb 0.57 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1xja n ALA 125 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xja n HIS 126 N -1.93 0.00 -0.26 0.00 -0.00 -0.08 -4.75 115.22 108.21 1xja n HIS 126 Ca 0.02 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.81 1xja n HIS 126 Cb 0.19 -0.20 0.18 0.00 -0.00 0.00 0.00 29.99 30.15 1xja n HIS 126 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1xja h GLN 127 N 0.00 0.15 0.53 -0.41 5.75 -0.82 -1.33 115.11 118.99 1xja h GLN 127 Ca -0.08 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1xja h GLN 127 Cb 0.86 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1xja h GLN 127 CO 0.00 0.10 -0.40 -1.35 -2.65 0.00 0.00 178.83 174.53 1xja h PRO 128 N 0.16 -0.88 0.10 -2.39 0.11 -1.86 -0.57 132.00 126.68 1xja h PRO 128 Ca 0.43 0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.62 1xja h PRO 128 Cb 0.77 0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 1xja h PRO 128 CO -0.62 -0.59 -0.42 1.25 -0.21 0.00 0.00 178.00 177.41 1xja h HIS 129 N -0.91 -1.19 -0.92 0.65 -0.00 -1.77 -0.80 115.15 110.20 1xja h HIS 129 Ca -0.06 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.44 1xja h HIS 129 Cb 0.77 0.51 -0.07 0.00 -0.00 0.00 0.00 27.41 28.62 1xja h HIS 129 CO -0.16 -0.52 0.59 0.74 -0.00 0.00 0.00 177.93 178.58 1xja h PHE 130 N -0.65 1.01 -0.41 5.26 0.04 -1.24 -0.89 116.94 120.06 1xja h PHE 130 Ca 0.02 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 1xja h PHE 130 Cb 0.68 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1xja h PHE 130 CO -0.38 0.46 -0.10 0.77 -0.60 0.00 0.00 178.31 178.47 1xja h SER 131 N 0.93 0.80 -0.47 2.17 0.02 -0.56 -1.91 113.55 114.52 1xja h SER 131 Ca 0.42 -0.36 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1xja h SER 131 Cb 0.39 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1xja h SER 131 CO -0.19 0.97 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.64 1xja h ASP 132 N 0.61 0.86 -0.81 3.07 3.58 -0.71 -2.66 116.42 120.36 1xja h ASP 132 Ca 0.10 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.23 1xja h ASP 132 Cb 0.62 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1xja h ASP 132 CO 0.04 0.99 0.54 0.25 -2.88 0.00 0.00 179.24 178.18 1xja h LEU 133 N 0.71 0.93 -1.00 2.28 6.46 -1.09 -1.88 115.31 121.73 1xja h LEU 133 Ca 0.13 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1xja h LEU 133 Cb 0.59 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1xja h LEU 133 CO 0.04 0.68 0.19 0.15 -0.62 0.00 0.00 178.44 178.88 1xja h PHE 134 N 1.10 0.94 -0.70 1.25 3.04 -1.24 -2.38 116.94 118.96 1xja h PHE 134 Ca 0.30 -0.08 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 1xja h PHE 134 Cb -0.13 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.08 1xja h PHE 134 CO -0.02 0.75 0.15 0.78 -2.02 0.00 0.00 178.31 177.96 1xja h GLY 135 N 1.01 1.21 1.60 2.40 0.00 -1.02 -2.17 103.07 106.11 1xja h GLY 135 Ca 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1xja h GLY 135 CO -0.01 0.72 0.27 1.46 0.00 0.00 0.00 176.54 178.99 1xja h GLN 136 N 1.06 0.54 -0.33 4.80 4.20 -0.87 0.38 115.11 124.88 1xja h GLN 136 Ca 0.22 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 1xja h GLN 136 Cb 0.40 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1xja h GLN 136 CO 0.01 0.36 -0.04 0.82 -0.67 0.00 0.00 178.83 179.30 1xja h ILE 137 N 0.55 1.27 -0.31 2.54 2.04 -1.00 -0.70 117.51 121.90 1xja h ILE 137 Ca 0.15 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.98 1xja h ILE 137 Cb -0.06 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1xja h ILE 137 CO -0.03 0.34 0.17 0.40 0.00 0.00 0.00 178.15 179.03 1xja h ILE 138 N 0.41 1.01 -0.24 -0.67 1.08 -0.62 0.42 117.51 118.91 1xja h ILE 138 Ca 0.09 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1xja h ILE 138 Cb 0.51 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1xja h ILE 138 CO 0.02 0.06 0.13 0.78 -0.69 0.00 0.00 178.15 178.46 1xja h ASN 139 N 0.35 0.29 -0.06 1.72 -0.26 -0.83 -2.00 115.58 114.80 1xja h ASN 139 Ca 0.13 -0.08 -0.14 0.00 -0.56 0.00 0.00 56.30 55.65 1xja h ASN 139 Cb 0.02 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1xja h ASN 139 CO -0.07 0.29 -0.42 0.00 -1.06 0.00 0.00 177.43 176.17 1xja h ALA 140 N 1.02 0.81 0.00 -0.83 0.00 -0.95 -2.34 119.26 116.96 1xja h ALA 140 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xja h ALA 140 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xja h ALA 140 CO -0.01 0.65 0.00 0.78 0.00 0.00 0.00 179.25 180.67 1xja h GLY 141 N 1.03 0.00 -0.64 0.00 0.00 0.06 -2.72 103.07 100.81 1xja h GLY 141 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xja h GLY 141 CO 0.08 0.00 -0.32 -1.06 0.00 0.00 0.00 176.54 175.24 1xja n GLN 142 N -3.05 1.80 -1.24 4.80 6.02 -0.77 -4.17 117.38 120.77 1xja n GLN 142 Ca -0.00 -0.72 -0.32 0.00 -0.01 0.00 0.00 57.00 55.94 1xja n GLN 142 Cb 0.25 -1.23 0.11 0.00 1.02 0.00 0.00 30.24 30.39 1xja n GLN 142 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1xja s GLY 143 N -1.80 1.97 -0.15 1.08 0.00 -0.89 -4.97 107.32 102.57 1xja s GLY 143 Ca 0.12 0.60 0.18 0.00 0.00 0.00 0.00 44.72 45.62 1xja s GLY 143 CO 0.38 0.99 0.23 -1.84 0.00 0.00 0.00 173.10 172.85 1xja n GLU 144 N -3.28 0.68 -1.41 2.90 0.28 -1.26 -4.77 120.64 113.77 1xja n GLU 144 Ca 0.11 0.01 -0.40 0.00 -0.16 0.00 0.00 57.16 56.72 1xja n GLU 144 Cb 0.52 -1.56 0.02 0.00 1.43 0.00 0.00 31.44 31.84 1xja n GLU 144 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xja n GLY 145 N 1.64 -1.87 0.51 -1.84 0.00 -1.26 -4.83 105.19 97.54 1xja n GLY 145 Ca -0.26 -0.08 0.33 0.00 0.00 0.00 0.00 46.02 46.01 1xja n GLY 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xja h ARG 146 N 0.42 0.00 -0.02 1.61 2.43 -2.03 -1.49 114.38 115.30 1xja h ARG 146 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1xja h ARG 146 Cb 1.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1xja h ARG 146 CO 0.48 0.00 -0.07 0.66 -1.51 0.00 0.00 179.97 179.53 1xja n TYR 147 N -4.11 0.00 0.11 2.20 4.01 -1.26 -4.72 117.16 113.39 1xja n TYR 147 Ca 0.23 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.86 1xja n TYR 147 Cb 1.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.13 1xja n TYR 147 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1xja h SER 148 N 3.29 -0.95 -0.79 7.72 0.02 -1.54 -0.37 113.55 120.93 1xja h SER 148 Ca 0.00 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 61.17 1xja h SER 148 Cb 0.73 0.34 -0.09 0.00 0.14 0.00 0.00 62.40 63.53 1xja h SER 148 CO 0.00 -0.37 0.39 -0.08 -1.14 0.00 0.00 176.83 175.63 1xja h GLU 149 N -0.52 0.58 -0.82 3.45 4.81 -1.79 0.22 114.58 120.51 1xja h GLU 149 Ca -0.02 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1xja h GLU 149 Cb 0.49 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1xja h GLU 149 CO -0.13 0.39 0.36 -0.07 -0.73 0.00 0.00 179.01 178.83 1xja h LEU 150 N 0.60 1.11 -0.58 1.64 3.38 -1.82 0.12 115.31 119.76 1xja h LEU 150 Ca 0.42 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1xja h LEU 150 Cb 0.54 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xja h LEU 150 CO -0.33 0.95 0.16 -0.07 0.09 0.00 0.00 178.44 179.24 1xja h LEU 151 N 1.19 0.86 -0.18 1.67 3.38 0.78 -1.21 115.31 121.79 1xja h LEU 151 Ca 0.28 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xja h LEU 151 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xja h LEU 151 CO -0.03 0.85 0.10 0.00 0.09 0.00 0.00 178.44 179.45 1xja h ALA 152 N 1.04 0.23 -1.00 1.53 0.00 -0.07 -0.24 119.26 120.75 1xja h ALA 152 Ca 0.18 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1xja h ALA 152 Cb 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1xja h ALA 152 CO -0.00 -0.23 0.65 0.82 0.00 0.00 0.00 179.25 180.48 1xja h ILE 153 N 0.18 1.10 -0.38 0.00 2.04 -0.84 0.19 117.51 119.80 1xja h ILE 153 Ca 0.06 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1xja h ILE 153 Cb 0.08 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 1xja h ILE 153 CO -0.01 0.22 0.13 -1.13 0.00 0.00 0.00 178.15 177.35 1xja h ASN 154 N 1.18 0.54 0.07 1.72 -1.24 -0.68 -1.84 115.58 115.33 1xja h ASN 154 Ca 0.43 -0.19 -0.15 0.00 0.71 0.00 0.00 56.30 57.09 1xja h ASN 154 Cb 0.15 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 1xja h ASN 154 CO -0.16 0.59 -0.52 -0.07 -1.29 0.00 0.00 177.43 175.98 1xja h LEU 155 N 0.46 0.55 -0.79 0.34 3.38 -0.45 -1.61 115.31 117.18 1xja h LEU 155 Ca 0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1xja h LEU 155 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1xja h LEU 155 CO -0.01 0.96 0.30 0.25 0.09 0.00 0.00 178.44 180.04 1xja h LEU 156 N 0.39 1.11 -1.05 1.67 5.85 -0.90 -1.09 115.31 121.28 1xja h LEU 156 Ca 0.01 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1xja h LEU 156 Cb 1.04 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1xja h LEU 156 CO 0.09 0.99 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.09 1xja h GLU 157 N 1.16 0.66 -0.65 1.25 4.81 -1.03 -1.37 114.58 119.41 1xja h GLU 157 Ca 0.26 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1xja h GLU 157 Cb 0.24 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1xja h GLU 157 CO -0.02 0.69 0.28 0.37 -0.73 0.00 0.00 179.01 179.60 1xja h GLN 158 N 0.62 0.96 -0.49 1.92 4.15 -0.47 -1.33 115.11 120.47 1xja h GLN 158 Ca 0.13 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1xja h GLN 158 Cb 0.41 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1xja h GLN 158 CO 0.02 0.79 0.32 1.25 -1.93 0.00 0.00 178.83 179.28 1xja h LEU 159 N 0.91 0.57 -0.66 -2.39 5.85 -0.50 0.28 115.31 119.36 1xja h LEU 159 Ca 0.22 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1xja h LEU 159 Cb 0.17 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1xja h LEU 159 CO -0.02 0.42 0.43 -0.07 -0.34 0.00 0.00 178.44 178.86 1xja h LEU 160 N 0.67 0.74 -0.47 2.25 3.38 -0.91 -1.12 115.31 119.83 1xja h LEU 160 Ca 0.18 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1xja h LEU 160 Cb -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1xja h LEU 160 CO -0.04 0.53 -0.57 -0.07 0.09 0.00 0.00 178.44 178.37 1xja h LEU 161 N 0.87 0.66 -0.61 1.67 3.38 -0.84 -2.43 115.31 118.01 1xja h LEU 161 Ca 0.25 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xja h LEU 161 Cb -0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1xja h LEU 161 CO -0.07 1.09 0.29 0.03 0.09 0.00 0.00 178.44 179.87 1xja h ARG 162 N 0.44 0.88 0.23 1.13 2.47 -0.11 -0.58 114.38 118.85 1xja h ARG 162 Ca 0.00 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1xja h ARG 162 Cb 1.13 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1xja h ARG 162 CO 0.11 0.71 -0.13 -0.09 0.56 0.00 0.00 179.97 181.14 1xja h ARG 163 N 0.83 -0.32 -0.35 0.04 2.43 -1.13 0.28 114.38 116.15 1xja h ARG 163 Ca 0.21 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 1xja h ARG 163 Cb 0.13 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 1xja h ARG 163 CO -0.03 -0.22 -0.15 0.52 -1.51 0.00 0.00 179.97 178.59 1xja h MET 164 N -0.34 -0.08 -0.81 0.20 2.86 -1.22 0.33 114.93 115.87 1xja h MET 164 Ca -0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xja h MET 164 Cb 0.27 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1xja h MET 164 CO 0.04 -0.05 0.51 1.49 1.06 0.00 0.00 176.91 179.96 1xja h GLU 165 N -0.08 1.09 -0.61 1.72 4.81 -0.82 0.28 114.58 120.97 1xja h GLU 165 Ca 0.18 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1xja h GLU 165 Cb 0.35 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1xja h GLU 165 CO -0.41 0.74 -0.00 0.00 -0.73 0.00 0.00 179.01 178.61 1xja h ALA 166 N 1.45 0.82 -0.17 2.92 0.00 0.14 0.36 119.26 124.78 1xja h ALA 166 Ca 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xja h ALA 166 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xja h ALA 166 CO -0.06 0.67 0.00 0.82 0.00 0.00 0.00 179.25 180.68 1xja h ILE 167 N 0.98 1.25 0.00 0.00 1.08 0.47 -0.41 117.51 120.88 1xja h ILE 167 Ca 0.17 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1xja h ILE 167 Cb 0.56 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1xja h ILE 167 CO 0.03 0.25 0.00 -3.20 -0.69 0.00 0.00 178.15 174.54 1xja n ASN 168 N -4.73 0.56 0.00 1.72 5.15 0.89 -5.10 115.26 113.75 1xja n ASN 168 Ca -0.05 0.72 0.00 0.00 -0.60 0.00 0.00 54.58 54.65 1xja n ASN 168 Cb 0.22 -0.81 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 1xja n ASN 168 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82