#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxf s ASN 2 N 0.00 0.96 -0.60 0.00 0.01 -1.26 -4.73 114.94 109.32 1jxf s ASN 2 Ca 0.00 -1.51 -0.22 0.00 -0.71 0.00 0.00 52.86 50.43 1jxf s ASN 2 Cb 0.00 0.61 0.07 0.00 0.41 0.00 0.00 41.25 42.34 1jxf s ASN 2 CO 0.00 -1.19 0.87 0.00 -1.51 0.00 0.00 177.10 175.27 1jxf s ALA 3 N -3.30 3.21 -0.04 0.60 0.00 -1.12 -4.98 121.76 116.13 1jxf s ALA 3 Ca 0.33 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 1jxf s ALA 3 Cb 0.01 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1jxf s ALA 3 CO 0.21 -2.52 1.02 0.99 0.00 0.00 0.00 175.76 175.45 1jxf s THR 4 N 3.62 4.75 -0.11 0.00 2.01 -1.26 -2.56 115.64 122.08 1jxf s THR 4 Ca 0.21 1.99 -0.04 0.00 0.31 0.00 0.00 61.69 64.16 1jxf s THR 4 Cb -0.17 -4.27 0.06 0.00 0.01 0.00 0.00 72.50 68.12 1jxf s THR 4 CO 0.12 0.09 0.19 -0.69 -0.69 0.00 0.00 174.62 173.64 1jxf s VAL 5 N 1.44 -0.30 0.02 3.82 1.01 -0.92 -4.55 120.40 120.91 1jxf s VAL 5 Ca 0.51 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 1jxf s VAL 5 Cb -0.21 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 1jxf s VAL 5 CO 0.24 0.09 0.54 -1.59 0.00 0.00 0.00 175.10 174.38 1jxf s LYS 6 N 2.32 4.20 -1.02 2.72 -2.85 -1.03 -2.49 119.74 121.59 1jxf s LYS 6 Ca 0.03 0.65 -0.04 0.00 -1.00 0.00 0.00 55.97 55.61 1jxf s LYS 6 Cb -0.13 -3.29 0.28 0.00 -2.06 0.00 0.00 37.83 32.64 1jxf s LYS 6 CO -0.07 0.51 1.21 -0.12 0.10 0.00 0.00 175.35 176.98 1jxf n MET 7 N 2.25 3.75 0.00 1.78 1.56 -0.76 -3.05 117.12 122.65 1jxf n MET 7 Ca -0.09 -4.53 0.00 0.00 -0.27 0.00 0.00 57.70 52.80 1jxf n MET 7 Cb 0.51 -2.48 0.00 0.00 2.15 0.00 0.00 33.22 33.40 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1jxf n GLY 8 N 1.81 2.51 3.27 -5.12 0.00 -0.52 -4.07 105.19 103.07 1jxf n GLY 8 Ca 0.25 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jxf n SER 9 N 0.00 -3.42 -3.11 1.61 3.41 -0.99 -4.35 113.62 106.77 1jxf n SER 9 Ca 0.00 0.65 -0.27 0.00 -0.26 0.00 0.00 58.87 58.99 1jxf n SER 9 Cb 0.00 -0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 1jxf n SER 9 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jxf n ASP 10 N 2.29 6.26 0.04 4.04 9.92 -1.26 -3.54 116.55 134.29 1jxf n ASP 10 Ca 0.08 -2.40 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 1jxf n ASP 10 Cb 0.47 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 1jxf n ASP 10 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jxf n SER 11 N 3.80 -0.49 0.00 -2.24 7.64 -1.26 -5.08 113.62 115.99 1jxf n SER 11 Ca 0.56 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1jxf n SER 11 Cb 0.23 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1jxf n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jxf n GLY 12 N 0.11 -0.64 2.83 0.23 0.00 -1.23 -5.03 105.19 101.45 1jxf n GLY 12 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 1jxf n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf s ALA 13 N 0.00 -0.32 -0.66 4.61 0.00 -1.26 -5.05 121.76 119.07 1jxf s ALA 13 Ca 0.00 0.47 -0.27 0.00 0.00 0.00 0.00 51.96 52.17 1jxf s ALA 13 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1jxf s ALA 13 CO 0.00 -0.96 1.57 -0.48 0.00 0.00 0.00 175.76 175.89 1jxf s LEU 14 N 2.34 3.24 0.32 0.00 2.34 -1.26 -2.35 118.68 123.32 1jxf s LEU 14 Ca 0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 54.13 54.23 1jxf s LEU 14 Cb -0.14 -2.59 -0.01 0.00 -0.56 0.00 0.00 46.19 42.89 1jxf s LEU 14 CO -0.10 -2.09 0.40 0.68 -1.06 0.00 0.00 176.35 174.18 1jxf s VAL 15 N 7.38 0.00 -0.30 1.48 -7.23 -1.26 -4.72 120.40 115.74 1jxf s VAL 15 Ca 0.52 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 1jxf s VAL 15 Cb -0.11 -2.57 0.09 0.00 0.56 0.00 0.00 36.38 34.35 1jxf s VAL 15 CO 0.19 0.00 0.01 -0.36 -0.31 0.00 0.00 175.10 174.62 1jxf s PHE 16 N -3.29 3.18 -0.05 2.82 0.08 -1.26 -1.44 117.98 118.02 1jxf s PHE 16 Ca 0.33 -2.51 -0.01 0.00 0.12 0.00 0.00 56.93 54.86 1jxf s PHE 16 Cb 0.01 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1jxf s PHE 16 CO 0.21 -0.90 0.01 -2.00 -0.10 0.00 0.00 175.22 172.44 1jxf s GLU 17 N 1.11 0.35 0.35 0.44 2.56 -1.17 -1.09 118.70 121.24 1jxf s GLU 17 Ca 0.04 0.15 -0.26 0.00 0.00 0.00 0.00 54.97 54.90 1jxf s GLU 17 Cb -0.19 -0.69 -0.09 0.00 2.00 0.00 0.00 34.13 35.16 1jxf s GLU 17 CO -0.09 -0.24 1.07 -1.25 -0.56 0.00 0.00 175.26 174.18 1jxf s PRO 18 N 1.65 4.36 0.36 4.30 0.04 -1.26 -2.46 135.00 141.98 1jxf s PRO 18 Ca -0.01 1.63 0.19 0.00 0.04 0.00 0.00 61.00 62.84 1jxf s PRO 18 Cb -0.13 -2.81 0.53 0.00 0.04 0.00 0.00 34.50 32.13 1jxf s PRO 18 CO -0.03 0.01 1.66 0.66 0.04 0.00 0.00 177.00 179.34 1jxf h SER 19 N 3.05 0.00 -3.31 6.66 4.64 -1.43 -3.43 113.55 119.74 1jxf h SER 19 Ca -0.48 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.36 1jxf h SER 19 Cb 1.21 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.95 1jxf h SER 19 CO 0.64 0.39 -0.79 -0.89 -0.87 0.00 0.00 176.83 175.31 1jxf s THR 20 N -3.41 0.83 0.07 2.95 2.01 -1.26 -0.69 115.64 116.14 1jxf s THR 20 Ca 0.01 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1jxf s THR 20 Cb 0.10 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1jxf s THR 20 CO 0.69 0.31 -0.06 0.68 -0.69 0.00 0.00 174.62 175.56 1jxf s VAL 21 N 1.32 0.52 -0.30 3.82 -7.23 -1.23 -5.05 120.40 112.25 1jxf s VAL 21 Ca -0.03 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1jxf s VAL 21 Cb -0.14 -1.29 0.08 0.00 0.56 0.00 0.00 36.38 35.59 1jxf s VAL 21 CO -0.03 -0.75 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.10 1jxf s THR 22 N -2.99 2.11 0.03 5.32 2.01 -1.26 -2.44 115.64 118.42 1jxf s THR 22 Ca 0.04 -1.93 0.03 0.00 0.31 0.00 0.00 61.69 60.14 1jxf s THR 22 Cb 0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1jxf s THR 22 CO -0.04 -0.33 -0.01 -0.51 -0.69 0.00 0.00 174.62 173.03 1jxf s ILE 23 N 1.05 4.02 0.87 1.82 -1.16 -0.81 -5.01 121.20 121.98 1jxf s ILE 23 Ca 0.01 -0.76 -0.12 0.00 -0.51 0.00 0.00 60.65 59.28 1jxf s ILE 23 Cb -0.19 -2.82 0.11 0.00 0.61 0.00 0.00 42.46 40.17 1jxf s ILE 23 CO -0.07 0.29 1.10 -0.54 -2.81 0.00 0.00 174.94 172.92 1jxf s LYS 24 N -1.78 1.48 0.46 3.50 -0.14 -1.26 -3.61 119.74 118.40 1jxf s LYS 24 Ca 0.21 0.58 -0.21 0.00 -1.36 0.00 0.00 55.97 55.19 1jxf s LYS 24 Cb -0.11 -1.85 -0.09 0.00 -1.68 0.00 0.00 37.83 34.09 1jxf s LYS 24 CO 0.12 -2.02 1.03 0.00 -0.76 0.00 0.00 175.35 173.72 1jxf s ALA 25 N -3.11 2.94 0.00 5.17 0.00 -1.08 -3.24 121.76 122.43 1jxf s ALA 25 Ca 0.63 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1jxf s ALA 25 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1jxf s ALA 25 CO 0.55 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1jxf n GLY 26 N -0.15 2.80 3.79 0.00 0.00 -1.14 -5.00 105.19 105.48 1jxf n GLY 26 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1jxf n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jxf s GLU 27 N -0.07 0.39 0.46 1.61 2.56 -1.20 -4.77 118.70 117.68 1jxf s GLU 27 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.97 54.97 1jxf s GLU 27 Cb 0.00 -1.78 -0.01 0.00 2.00 0.00 0.00 34.13 34.34 1jxf s GLU 27 CO 0.00 -2.64 0.11 -0.85 -0.56 0.00 0.00 175.26 171.32 1jxf n GLU 28 N -4.01 0.61 -4.35 4.30 0.28 -1.26 -2.33 120.64 113.89 1jxf n GLU 28 Ca 0.11 -3.67 -0.18 0.00 -0.16 0.00 0.00 57.16 53.25 1jxf n GLU 28 Cb 0.59 1.68 -0.10 0.00 1.43 0.00 0.00 31.44 35.04 1jxf n GLU 28 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1jxf s VAL 29 N -3.08 1.56 0.00 3.84 1.01 0.27 -2.77 120.40 121.22 1jxf s VAL 29 Ca 0.15 -2.15 0.02 0.00 0.00 0.00 0.00 61.98 60.00 1jxf s VAL 29 Cb 0.01 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1jxf s VAL 29 CO 0.11 -0.52 -0.07 -0.75 0.00 0.00 0.00 175.10 173.87 1jxf s LYS 30 N -3.70 0.56 -0.13 2.72 2.20 -1.06 -1.85 119.74 118.48 1jxf s LYS 30 Ca 0.24 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1jxf s LYS 30 Cb 0.02 -0.52 -0.00 0.00 -1.51 0.00 0.00 37.83 35.81 1jxf s LYS 30 CO 0.07 0.14 -0.19 -1.58 -0.36 0.00 0.00 175.35 173.44 1jxf s TRP 31 N -0.29 2.70 -0.35 4.03 0.51 -0.88 -2.17 118.94 122.49 1jxf s TRP 31 Ca 0.01 -1.05 -0.06 0.00 -2.12 0.00 0.00 56.10 52.89 1jxf s TRP 31 Cb -0.03 -1.82 0.05 0.00 -0.81 0.00 0.00 33.47 30.86 1jxf s TRP 31 CO -0.00 -0.45 0.11 0.08 -0.51 0.00 0.00 176.95 176.18 1jxf s VAL 32 N 0.61 3.68 0.41 4.03 1.01 -1.04 -2.82 120.40 126.29 1jxf s VAL 32 Ca -0.10 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 60.38 1jxf s VAL 32 Cb -0.16 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 1jxf s VAL 32 CO 0.03 -0.24 1.04 0.20 0.00 0.00 0.00 175.10 176.13 1jxf s ASN 33 N 1.49 6.73 0.00 3.32 0.01 -1.26 -1.83 114.94 123.41 1jxf s ASN 33 Ca -0.01 2.01 0.00 0.00 -0.71 0.00 0.00 52.86 54.15 1jxf s ASN 33 Cb -0.20 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.88 1jxf s ASN 33 CO 0.02 -0.51 0.00 0.59 -1.51 0.00 0.00 177.10 175.69 1jxf n ASN 34 N -0.18 0.00 -3.17 -1.22 4.13 -1.26 -4.55 115.26 109.01 1jxf n ASN 34 Ca 0.05 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.14 1jxf n ASN 34 Cb 0.50 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.69 1jxf n ASN 34 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1jxf s LYS 35 N -0.86 1.92 -0.53 3.52 -0.14 -1.26 -4.88 119.74 117.51 1jxf s LYS 35 Ca 0.00 -1.91 -0.02 0.00 -1.36 0.00 0.00 55.97 52.68 1jxf s LYS 35 Cb 0.00 0.41 -0.03 0.00 -1.68 0.00 0.00 37.83 36.53 1jxf s LYS 35 CO 0.00 -0.77 0.46 1.28 -0.76 0.00 0.00 175.35 175.56 1jxf n LEU 36 N -0.62 -3.60 -4.97 3.17 4.32 -1.26 -4.85 117.00 109.20 1jxf n LEU 36 Ca 0.04 -0.34 -0.21 0.00 -0.02 0.00 0.00 56.01 55.48 1jxf n LEU 36 Cb 0.62 -1.82 -0.01 0.00 -1.62 0.00 0.00 43.42 40.59 1jxf n LEU 36 CO 0.31 0.08 0.07 -0.94 -1.22 0.00 0.00 177.39 175.69 1jxf s SER 37 N -3.30 6.18 0.70 -1.43 1.04 -1.26 -4.25 113.70 111.38 1jxf s SER 37 Ca 0.17 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.62 1jxf s SER 37 Cb -0.02 -1.73 0.01 0.00 0.10 0.00 0.00 66.02 64.38 1jxf s SER 37 CO 0.36 -0.27 1.06 -2.16 0.98 0.00 0.00 173.24 173.21 1jxf s PRO 38 N -4.17 2.89 -0.22 4.02 0.04 -1.26 -5.14 135.00 131.16 1jxf s PRO 38 Ca 0.39 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 1jxf s PRO 38 Cb -0.09 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.53 1jxf s PRO 38 CO 0.32 -1.13 0.05 -1.01 0.04 0.00 0.00 177.00 175.28 1jxf s HIS 39 N -3.05 1.08 0.33 0.56 3.76 -1.26 -4.99 115.29 111.72 1jxf s HIS 39 Ca 0.58 -1.01 0.07 0.00 -0.15 0.00 0.00 55.06 54.56 1jxf s HIS 39 Cb -0.14 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.39 1jxf s HIS 39 CO 0.55 -0.67 0.28 0.54 -0.85 0.00 0.00 174.74 174.58 1jxf s ASN 40 N 1.84 5.27 -0.27 1.40 2.20 -1.26 -4.65 114.94 119.46 1jxf s ASN 40 Ca 0.02 -0.49 0.00 0.00 -0.94 0.00 0.00 52.86 51.45 1jxf s ASN 40 Cb -0.17 -0.99 0.08 0.00 -2.00 0.00 0.00 41.25 38.17 1jxf s ASN 40 CO -0.13 -0.33 0.03 -0.63 -2.94 0.00 0.00 177.10 173.10 1jxf s ILE 41 N -2.30 1.30 -0.22 0.54 1.01 -1.22 -4.31 121.20 116.00 1jxf s ILE 41 Ca 0.40 -1.39 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 1jxf s ILE 41 Cb -0.06 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1jxf s ILE 41 CO 0.26 -0.40 0.04 0.68 0.00 0.00 0.00 174.94 175.52 1jxf s VAL 42 N 1.45 4.21 -0.55 2.92 -7.23 -1.05 0.12 120.40 120.27 1jxf s VAL 42 Ca 0.03 -0.22 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 1jxf s VAL 42 Cb -0.18 -2.94 0.13 0.00 0.56 0.00 0.00 36.38 33.95 1jxf s VAL 42 CO -0.13 0.39 0.52 -0.36 -0.31 0.00 0.00 175.10 175.20 1jxf s PHE 43 N 1.25 3.23 -0.44 2.82 0.08 -1.26 -1.90 117.98 121.76 1jxf s PHE 43 Ca 0.04 -1.27 -0.28 0.00 0.12 0.00 0.00 56.93 55.54 1jxf s PHE 43 Cb -0.15 -3.82 0.01 0.00 -0.57 0.00 0.00 43.02 38.49 1jxf s PHE 43 CO 0.02 -1.05 1.46 0.00 -0.10 0.00 0.00 175.22 175.56 1jxf s ALA 44 N 1.69 2.95 -0.75 5.36 0.00 -0.79 -4.67 121.76 125.54 1jxf s ALA 44 Ca 0.04 -0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 1jxf s ALA 44 Cb -0.29 -3.99 -0.15 0.00 0.00 0.00 0.00 23.12 18.68 1jxf s ALA 44 CO 0.03 -2.58 2.53 0.00 0.00 0.00 0.00 175.76 175.74 1jxf n ALA 45 N 9.24 0.56 -3.80 0.00 0.00 -1.26 -4.31 120.51 120.95 1jxf n ALA 45 Ca 0.16 -0.68 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 1jxf n ALA 45 Cb 0.48 -2.77 -0.12 0.00 0.00 0.00 0.00 19.45 17.04 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxf s ASP 46 N 10.15 4.13 0.00 0.00 1.11 -1.26 -4.71 116.67 126.09 1jxf s ASP 46 Ca 1.16 -3.63 0.00 0.00 0.18 0.00 0.00 52.55 50.26 1jxf s ASP 46 Cb -0.67 -1.39 0.00 0.00 1.07 0.00 0.00 42.92 41.92 1jxf s ASP 46 CO 0.37 -0.11 0.00 0.61 1.18 0.00 0.00 175.17 177.21 1jxf n GLY 47 N 2.23 1.62 3.89 0.21 0.00 -1.26 -4.77 105.19 107.11 1jxf n GLY 47 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1jxf n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jxf n VAL 48 N -0.16 0.00 -1.81 1.61 3.14 -1.26 -4.88 118.33 114.97 1jxf n VAL 48 Ca 0.00 -1.79 -0.32 0.00 -2.96 0.00 0.00 64.34 59.27 1jxf n VAL 48 Cb 0.00 -0.67 0.03 0.00 -1.06 0.00 0.00 33.84 32.15 1jxf n VAL 48 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1jxf s ASP 49 N -4.78 5.53 -0.01 6.55 1.11 -1.26 -4.90 116.67 118.91 1jxf s ASP 49 Ca 0.63 1.75 -0.06 0.00 0.18 0.00 0.00 52.55 55.05 1jxf s ASP 49 Cb -0.04 -2.52 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1jxf s ASP 49 CO 0.41 -1.34 0.53 0.00 1.18 0.00 0.00 175.17 175.95 1jxf h ALA 50 N -0.09 -0.50 -1.18 5.23 0.00 -1.96 -1.55 119.26 119.20 1jxf h ALA 50 Ca -0.45 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 54.75 1jxf h ALA 50 Cb 1.22 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1jxf h ALA 50 CO 0.57 -0.48 0.81 -0.44 0.00 0.00 0.00 179.25 179.71 1jxf h ASP 51 N -0.39 0.18 -0.38 0.00 3.32 -1.97 1.76 116.42 118.94 1jxf h ASP 51 Ca -0.02 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1jxf h ASP 51 Cb 0.16 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1jxf h ASP 51 CO 0.03 0.01 -0.06 0.74 -1.72 0.00 0.00 179.24 178.25 1jxf h THR 52 N 0.15 1.27 -0.01 0.35 2.02 -1.95 -2.46 112.91 112.28 1jxf h THR 52 Ca 0.62 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1jxf h THR 52 Cb 2.10 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1jxf h THR 52 CO -0.15 0.37 -0.17 0.00 0.37 0.00 0.00 175.52 175.93 1jxf n ALA 53 N -2.42 2.90 -0.03 6.16 0.00 0.29 -2.76 120.51 124.64 1jxf n ALA 53 Ca -0.01 -0.34 -0.14 0.00 0.00 0.00 0.00 53.44 52.95 1jxf n ALA 53 Cb 0.32 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 1jxf n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxf h ALA 54 N 3.69 0.05 0.22 0.00 0.00 0.27 -1.25 119.26 122.23 1jxf h ALA 54 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 1jxf h ALA 54 Cb 0.43 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.25 1jxf h ALA 54 CO 0.00 -0.05 -1.36 0.87 0.00 0.00 0.00 179.25 178.71 1jxf h LYS 55 N -0.47 0.53 -0.02 0.00 1.57 -1.61 -3.19 116.57 113.39 1jxf h LYS 55 Ca -0.01 -0.87 0.00 0.00 -1.87 0.00 0.00 60.65 57.91 1jxf h LYS 55 Cb 0.75 0.32 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1jxf h LYS 55 CO 0.02 1.41 0.01 -0.07 -0.57 0.00 0.00 179.45 180.26 1jxf h LEU 56 N 0.11 0.00-10.40 2.94 3.38 -1.62 -3.42 115.31 106.30 1jxf h LEU 56 Ca -0.23 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.24 1jxf h LEU 56 Cb 2.06 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.88 1jxf h LEU 56 CO 0.26 0.00 0.41 -0.94 0.09 0.00 0.00 178.44 178.26 1jxf s SER 57 N -6.75 5.96 -0.30 -0.43 1.04 -0.47 -4.71 113.70 108.03 1jxf s SER 57 Ca -0.05 1.31 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 1jxf s SER 57 Cb 0.16 -2.28 0.10 0.00 0.10 0.00 0.00 66.02 64.11 1jxf s SER 57 CO 0.63 -1.03 0.11 -1.00 0.98 0.00 0.00 173.24 172.93 1jxf s HIS 58 N -3.24 1.10 -0.97 5.02 3.76 0.33 -4.88 115.29 116.42 1jxf s HIS 58 Ca 0.56 -1.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.09 1jxf s HIS 58 Cb -0.11 -1.36 0.33 0.00 1.11 0.00 0.00 32.58 32.55 1jxf s HIS 58 CO 0.53 -0.86 1.84 1.63 -0.85 0.00 0.00 174.74 177.03 1jxf n LYS 59 N 5.01 4.75 -1.75 1.40 5.02 -1.26 -3.44 118.16 127.88 1jxf n LYS 59 Ca -0.04 -4.42 0.00 0.00 -2.02 0.00 0.00 58.31 51.84 1jxf n LYS 59 Cb 0.42 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 1jxf n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jxf n GLY 60 N -0.18 4.33 3.29 0.72 0.00 -1.26 -5.14 105.19 106.95 1jxf n GLY 60 Ca 0.48 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 1jxf n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jxf s LEU 61 N 0.00 2.46 -0.08 0.99 2.01 -1.26 -4.63 118.68 118.17 1jxf s LEU 61 Ca 0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 54.13 53.21 1jxf s LEU 61 Cb 0.00 -0.63 0.04 0.00 0.01 0.00 0.00 46.19 45.61 1jxf s LEU 61 CO 0.00 -0.14 0.18 0.00 1.01 0.00 0.00 176.35 177.40 1jxf s ALA 62 N -2.45 -0.36 -0.30 4.21 0.00 -1.26 -5.04 121.76 116.57 1jxf s ALA 62 Ca 0.15 0.78 0.16 0.00 0.00 0.00 0.00 51.96 53.05 1jxf s ALA 62 Cb -0.03 -0.53 0.48 0.00 0.00 0.00 0.00 23.12 23.04 1jxf s ALA 62 CO 0.05 -0.19 1.09 1.19 0.00 0.00 0.00 175.76 177.90 1jxf n PHE 63 N 4.27 1.80 -3.53 0.00 3.01 -1.26 -4.09 117.46 117.66 1jxf n PHE 63 Ca -0.25 -2.39 -0.23 0.00 1.01 0.00 0.00 57.45 55.58 1jxf n PHE 63 Cb 0.52 -0.27 -0.14 0.00 -0.01 0.00 0.00 39.48 39.58 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jxf s ALA 64 N -3.59 0.11 -1.04 4.37 0.00 -1.26 -5.07 121.76 115.28 1jxf s ALA 64 Ca 0.35 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 1jxf s ALA 64 Cb 0.38 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1jxf s ALA 64 CO -0.02 -1.34 1.85 0.00 0.00 0.00 0.00 175.76 176.25 1jxf s ALA 65 N 2.22 2.01 0.00 0.00 0.00 -1.26 -2.64 121.76 122.09 1jxf s ALA 65 Ca 0.06 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1jxf s ALA 65 Cb -0.16 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.37 1jxf s ALA 65 CO -0.18 -4.62 0.00 0.41 0.00 0.00 0.00 175.76 171.37 1jxf n GLY 66 N 6.43 0.39 3.82 0.00 0.00 -1.26 -5.07 105.19 109.50 1jxf n GLY 66 Ca 0.41 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1jxf n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jxf s GLU 67 N 0.00 3.40 -0.08 1.61 -1.05 -1.08 -4.95 118.70 116.54 1jxf s GLU 67 Ca 0.00 1.05 -0.03 0.00 -0.15 0.00 0.00 54.97 55.84 1jxf s GLU 67 Cb 0.00 -2.05 0.04 0.00 -0.44 0.00 0.00 34.13 31.68 1jxf s GLU 67 CO 0.00 -0.74 0.17 -1.54 0.95 0.00 0.00 175.26 174.10 1jxf s SER 68 N -3.21 -0.00 0.94 0.83 1.04 -1.26 -3.98 113.70 108.07 1jxf s SER 68 Ca 0.60 0.36 -0.13 0.00 0.48 0.00 0.00 55.95 57.26 1jxf s SER 68 Cb -0.14 0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.40 1jxf s SER 68 CO 0.41 -0.17 1.16 -0.36 0.98 0.00 0.00 173.24 175.26 1jxf s PHE 69 N 1.39 2.22 0.01 5.02 0.08 -1.13 -4.77 117.98 120.80 1jxf s PHE 69 Ca -0.07 0.76 -0.02 0.00 0.12 0.00 0.00 56.93 57.72 1jxf s PHE 69 Cb -0.11 -3.48 -0.01 0.00 -0.57 0.00 0.00 43.02 38.85 1jxf s PHE 69 CO -0.06 -2.54 0.02 0.99 -0.10 0.00 0.00 175.22 173.53 1jxf s THR 70 N -3.32 0.08 -0.09 0.64 2.01 -1.26 -2.08 115.64 111.62 1jxf s THR 70 Ca 0.66 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1jxf s THR 70 Cb -0.13 -0.25 0.05 0.00 0.01 0.00 0.00 72.50 72.17 1jxf s THR 70 CO 0.53 -0.36 0.20 -0.94 -0.69 0.00 0.00 174.62 173.37 1jxf s SER 71 N -1.10 0.04 -0.14 3.53 1.04 -0.77 -4.94 113.70 111.36 1jxf s SER 71 Ca -0.12 0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.67 1jxf s SER 71 Cb -0.07 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1jxf s SER 71 CO -0.00 -0.18 0.10 -0.89 0.98 0.00 0.00 173.24 173.25 1jxf s THR 72 N 1.56 5.15 -0.92 2.02 2.01 -1.26 0.95 115.64 125.15 1jxf s THR 72 Ca -0.06 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1jxf s THR 72 Cb -0.11 -3.27 0.23 0.00 0.01 0.00 0.00 72.50 69.36 1jxf s THR 72 CO -0.07 0.56 0.82 -0.36 -0.69 0.00 0.00 174.62 174.88 1jxf s PHE 73 N -0.52 3.95 0.07 4.92 0.40 -0.98 -4.72 117.98 121.10 1jxf s PHE 73 Ca 0.11 -2.98 -0.29 0.00 -0.60 0.00 0.00 56.93 53.17 1jxf s PHE 73 Cb -0.12 -3.32 -0.18 0.00 0.51 0.00 0.00 43.02 39.92 1jxf s PHE 73 CO 0.02 -0.77 1.62 1.79 0.70 0.00 0.00 175.22 178.58 1jxf h THR 74 N 4.03 0.58 -3.38 0.64 1.35 -1.90 -3.01 112.91 111.21 1jxf h THR 74 Ca 0.16 -0.06 -0.58 0.00 -0.55 0.00 0.00 66.41 65.38 1jxf h THR 74 Cb 0.82 0.61 -0.08 0.00 -1.73 0.00 0.00 68.15 67.77 1jxf h THR 74 CO 0.87 0.01 0.07 -0.70 -0.25 0.00 0.00 175.52 175.53 1jxf s GLU 75 N -5.95 4.31 -0.56 4.72 2.56 -1.26 -4.36 118.70 118.16 1jxf s GLU 75 Ca -0.16 0.68 -0.28 0.00 0.00 0.00 0.00 54.97 55.21 1jxf s GLU 75 Cb 0.04 -3.51 0.01 0.00 2.00 0.00 0.00 34.13 32.67 1jxf s GLU 75 CO 0.62 -0.07 1.49 -1.25 -0.56 0.00 0.00 175.26 175.49 1jxf s PRO 76 N 1.33 3.23 0.00 4.30 0.04 -1.26 -4.86 135.00 137.77 1jxf s PRO 76 Ca 0.31 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1jxf s PRO 76 Cb -0.16 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1jxf s PRO 76 CO 0.13 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.55 1jxf n GLY 77 N 5.32 4.91 2.68 0.56 0.00 -1.22 -4.85 105.19 112.59 1jxf n GLY 77 Ca 0.14 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1jxf n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxf s THR 78 N 1.02 0.52 -0.07 2.61 2.01 -1.26 -2.45 115.64 118.03 1jxf s THR 78 Ca 0.00 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 60.88 1jxf s THR 78 Cb 0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1jxf s THR 78 CO 0.00 -0.59 0.25 -0.31 -0.69 0.00 0.00 174.62 173.28 1jxf s TYR 79 N 1.81 3.65 -0.24 4.92 2.02 -1.05 -4.42 117.35 124.04 1jxf s TYR 79 Ca 0.07 0.72 0.02 0.00 -0.37 0.00 0.00 57.07 57.51 1jxf s TYR 79 Cb -0.17 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.36 1jxf s TYR 79 CO -0.25 0.70 -0.11 0.95 -1.57 0.00 0.00 175.55 175.27 1jxf s THR 80 N -1.06 1.95 -0.03 -0.71 -4.23 -1.26 -1.83 115.64 108.47 1jxf s THR 80 Ca 0.19 -1.38 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1jxf s THR 80 Cb -0.14 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 1jxf s THR 80 CO 0.08 0.06 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.44 1jxf s TYR 81 N 1.22 2.94 0.26 3.99 1.13 -1.16 -1.89 117.35 123.85 1jxf s TYR 81 Ca -0.06 0.01 -0.03 0.00 -1.41 0.00 0.00 57.07 55.58 1jxf s TYR 81 Cb -0.18 -1.67 -0.02 0.00 -1.10 0.00 0.00 41.96 38.99 1jxf s TYR 81 CO -0.07 0.37 0.32 1.52 -2.51 0.00 0.00 175.55 175.18 1jxf s TYR 82 N -0.91 1.01 -0.02 -3.49 -0.85 -0.80 -2.22 117.35 110.07 1jxf s TYR 82 Ca 0.15 -1.22 -0.30 0.00 -0.52 0.00 0.00 57.07 55.18 1jxf s TYR 82 Cb -0.11 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 1jxf s TYR 82 CO 0.05 -0.88 1.00 0.00 -1.52 0.00 0.00 175.55 174.20 1jxf h GLU 84 N 6.86 -0.23 -0.01 0.00 4.81 -1.94 1.43 114.58 125.50 1jxf h GLU 84 Ca -0.39 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1jxf h GLU 84 Cb 1.21 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1jxf h GLU 84 CO 0.77 -0.15 -0.26 -1.00 -0.73 0.00 0.00 179.01 177.65 1jxf h PRO 85 N -0.23 0.20 -1.65 0.92 0.13 -1.94 -3.28 132.00 126.15 1jxf h PRO 85 Ca 0.08 -0.19 -0.67 0.00 -0.87 0.00 0.00 66.00 64.35 1jxf h PRO 85 Cb 0.35 0.05 -0.25 0.00 0.13 0.00 0.00 31.00 31.28 1jxf h PRO 85 CO -0.23 0.90 0.87 0.72 -0.23 0.00 0.00 178.00 180.04 1jxf n HIS 86 N -4.50 2.77 -0.07 1.56 8.25 -1.16 -4.60 115.22 117.48 1jxf n HIS 86 Ca -0.09 -2.47 -0.12 0.00 -0.26 0.00 0.00 57.72 54.78 1jxf n HIS 86 Cb 0.49 -1.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.27 1jxf n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jxf h ARG 87 N 2.57 0.36 -0.80 -0.41 2.43 0.19 -3.22 114.38 115.50 1jxf h ARG 87 Ca 0.54 -0.12 -0.57 0.00 -0.81 0.00 0.00 59.98 59.02 1jxf h ARG 87 Cb 0.43 -0.03 -0.37 0.00 -0.42 0.00 0.00 29.97 29.58 1jxf h ARG 87 CO 1.37 0.58 -0.25 0.41 -1.51 0.00 0.00 179.97 180.57 1jxf n GLY 88 N -0.24 6.15 0.00 2.80 0.00 -1.26 -4.75 105.19 107.89 1jxf n GLY 88 Ca -0.05 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.51 1jxf n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxf n ALA 89 N -0.80 0.00 -1.92 4.61 0.00 -1.21 -5.01 120.51 116.17 1jxf n ALA 89 Ca 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 1jxf n ALA 89 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1jxf n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxf n GLY 90 N 2.40 -0.37 2.90 0.00 0.00 -1.26 -5.12 105.19 103.73 1jxf n GLY 90 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1jxf n GLY 90 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jxf s MET 91 N 0.01 0.13 0.17 1.61 0.00 -1.26 -4.93 119.30 115.03 1jxf s MET 91 Ca 0.01 0.56 -0.07 0.00 0.00 0.00 0.00 55.69 56.18 1jxf s MET 91 Cb 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 34.83 34.43 1jxf s MET 91 CO -0.01 -0.39 0.24 0.08 0.00 0.00 0.00 175.02 174.94 1jxf s VAL 92 N 2.37 0.06 0.02 5.16 1.01 -1.26 -4.27 120.40 123.48 1jxf s VAL 92 Ca 0.03 -1.55 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 1jxf s VAL 92 Cb -0.13 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1jxf s VAL 92 CO -0.09 -0.28 0.10 -0.83 0.00 0.00 0.00 175.10 174.01 1jxf s GLY 93 N -3.01 0.11 -0.19 4.51 0.00 -0.94 -4.60 107.32 103.21 1jxf s GLY 93 Ca 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 1jxf s GLY 93 CO 0.02 -0.46 0.05 1.25 0.00 0.00 0.00 173.10 173.97 1jxf s LYS 94 N -1.82 0.47 -0.07 2.90 2.36 0.13 -2.98 119.74 120.74 1jxf s LYS 94 Ca -0.12 -0.32 -0.07 0.00 -2.55 0.00 0.00 55.97 52.92 1jxf s LYS 94 Cb -0.06 -2.02 -0.04 0.00 -1.05 0.00 0.00 37.83 34.66 1jxf s LYS 94 CO -0.01 -0.65 0.19 0.08 1.55 0.00 0.00 175.35 176.52 1jxf s VAL 95 N 1.94 5.42 -0.05 4.02 1.01 -0.76 -3.57 120.40 128.41 1jxf s VAL 95 Ca -0.00 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1jxf s VAL 95 Cb -0.17 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1jxf s VAL 95 CO -0.08 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.68 1jxf s VAL 96 N -1.12 1.51 0.06 2.92 1.01 -1.02 -2.53 120.40 121.23 1jxf s VAL 96 Ca 0.20 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1jxf s VAL 96 Cb -0.13 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1jxf s VAL 96 CO 0.09 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 1jxf s VAL 97 N 0.08 1.31 0.00 2.92 1.01 -1.03 -1.93 120.40 122.77 1jxf s VAL 97 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1jxf s VAL 97 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1jxf s VAL 97 CO 0.03 -0.06 0.22 0.47 0.00 0.00 0.00 175.10 175.77