#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 7.16 0.24 0.00 2.20 -1.26 -4.32 114.94 118.96 1jxf s ASN 2 Ca 0.00 1.94 0.08 0.00 -0.94 0.00 0.00 52.86 53.95 1jxf s ASN 2 Cb 0.00 -2.58 -0.04 0.00 -2.00 0.00 0.00 41.25 36.63 1jxf s ASN 2 CO 0.00 -0.40 0.06 0.00 -2.94 0.00 0.00 177.10 173.82 1jxf s ALA 3 N 0.92 3.30 -0.06 3.54 0.00 -1.22 -5.06 121.76 123.18 1jxf s ALA 3 Ca 0.56 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 1jxf s ALA 3 Cb -0.28 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 21.90 1jxf s ALA 3 CO 0.29 0.31 0.12 0.99 0.00 0.00 0.00 175.76 177.48 1jxf s THR 4 N -2.14 -0.11 -0.01 0.00 2.01 -1.26 -2.33 115.64 111.80 1jxf s THR 4 Ca 0.31 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.60 1jxf s THR 4 Cb -0.07 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1jxf s THR 4 CO 0.21 0.10 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.42 1jxf s VAL 5 N 1.50 1.09 -0.15 3.82 1.01 -0.97 -4.38 120.40 122.32 1jxf s VAL 5 Ca -0.05 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1jxf s VAL 5 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1jxf s VAL 5 CO -0.05 0.31 0.02 -1.59 0.00 0.00 0.00 175.10 173.79 1jxf s LYS 6 N -0.29 3.65 -0.38 2.72 -2.85 -0.80 -2.15 119.74 119.63 1jxf s LYS 6 Ca 0.05 -0.41 -0.07 0.00 -1.00 0.00 0.00 55.97 54.54 1jxf s LYS 6 Cb -0.06 -3.02 -0.21 0.00 -2.06 0.00 0.00 37.83 32.48 1jxf s LYS 6 CO -0.00 0.37 3.33 -1.33 0.10 0.00 0.00 175.35 177.81 1jxf n MET 7 N 3.19 2.30 0.00 1.78 2.81 -0.86 -3.70 117.12 122.65 1jxf n MET 7 Ca -0.17 -1.24 0.00 0.00 -1.81 0.00 0.00 57.70 54.48 1jxf n MET 7 Cb 0.53 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jxf n GLY 8 N 2.79 -0.57 3.46 3.03 0.00 -0.29 -4.33 105.19 109.27 1jxf n GLY 8 Ca 0.49 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jxf s SER 9 N -4.00 -0.56 -1.26 1.61 1.04 -1.09 -4.12 113.70 105.31 1jxf s SER 9 Ca 0.00 0.93 -0.16 0.00 0.48 0.00 0.00 55.95 57.20 1jxf s SER 9 Cb 0.00 0.93 -0.02 0.00 0.10 0.00 0.00 66.02 67.03 1jxf s SER 9 CO 0.00 -0.32 2.17 0.47 0.98 0.00 0.00 173.24 176.54 1jxf n ASP 10 N 2.18 3.70 0.02 7.02 8.00 -1.26 -3.67 116.55 132.54 1jxf n ASP 10 Ca -0.16 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.57 1jxf n ASP 10 Cb 0.56 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jxf n SER 11 N 6.35 -0.35 0.00 -2.24 2.88 -1.26 -5.05 113.62 113.94 1jxf n SER 11 Ca 0.52 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1jxf n SER 11 Cb 0.38 0.60 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1jxf n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jxf n GLY 12 N -1.47 0.00 3.00 0.46 0.00 -1.24 -5.13 105.19 100.81 1jxf n GLY 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.42 -0.72 4.61 0.00 -1.26 -5.08 121.76 118.89 1jxf s ALA 13 Ca 0.00 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1jxf s ALA 13 Cb 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1jxf s ALA 13 CO 0.00 -0.16 1.26 -0.48 0.00 0.00 0.00 175.76 176.38 1jxf s LEU 14 N 1.05 3.23 0.19 0.00 0.05 -1.26 -2.67 118.68 119.27 1jxf s LEU 14 Ca -0.08 -0.43 -0.04 0.00 0.05 0.00 0.00 54.13 53.63 1jxf s LEU 14 Cb -0.09 -2.60 -0.03 0.00 -2.05 0.00 0.00 46.19 41.42 1jxf s LEU 14 CO -0.06 -1.80 0.19 0.68 -0.55 0.00 0.00 176.35 174.82 1jxf s VAL 15 N 5.61 0.02 -0.33 1.48 -7.23 -1.26 -4.79 120.40 113.90 1jxf s VAL 15 Ca 0.35 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1jxf s VAL 15 Cb -0.08 -2.30 0.09 0.00 0.56 0.00 0.00 36.38 34.65 1jxf s VAL 15 CO 0.16 -0.11 0.04 -0.36 -0.31 0.00 0.00 175.10 174.52 1jxf s PHE 16 N -4.10 3.64 -0.03 2.82 0.08 -1.26 -1.14 117.98 117.99 1jxf s PHE 16 Ca 0.31 -2.77 0.03 0.00 0.12 0.00 0.00 56.93 54.63 1jxf s PHE 16 Cb 0.05 -2.76 -0.00 0.00 -0.57 0.00 0.00 43.02 39.75 1jxf s PHE 16 CO 0.09 -0.93 -0.13 -2.00 -0.10 0.00 0.00 175.22 172.15 1jxf s GLU 17 N 0.98 1.30 0.14 0.44 2.12 -1.24 -0.98 118.70 121.46 1jxf s GLU 17 Ca 0.06 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.65 1jxf s GLU 17 Cb -0.20 -1.17 -0.07 0.00 0.26 0.00 0.00 34.13 32.95 1jxf s GLU 17 CO -0.07 0.18 1.14 -1.25 -0.54 0.00 0.00 175.26 174.72 1jxf s PRO 18 N 0.10 4.53 0.62 4.30 0.04 -1.26 -1.91 135.00 141.42 1jxf s PRO 18 Ca -0.03 1.74 0.31 0.00 0.04 0.00 0.00 61.00 63.06 1jxf s PRO 18 Cb -0.10 -3.30 1.67 0.00 0.04 0.00 0.00 34.50 32.81 1jxf s PRO 18 CO 0.01 -0.05 2.00 0.66 0.04 0.00 0.00 177.00 179.67 1jxf h SER 19 N 5.69 0.00 -3.43 6.66 4.64 -1.41 -3.39 113.55 122.32 1jxf h SER 19 Ca -0.43 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.62 1jxf h SER 19 Cb 1.21 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.98 1jxf h SER 19 CO 0.75 0.00 -0.64 -0.89 -0.87 0.00 0.00 176.83 175.19 1jxf s THR 20 N -4.40 -0.06 0.03 2.95 2.01 -1.26 -0.26 115.64 114.65 1jxf s THR 20 Ca -0.04 0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.21 1jxf s THR 20 Cb 0.13 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 1jxf s THR 20 CO 0.44 0.08 -0.15 0.68 -0.69 0.00 0.00 174.62 174.99 1jxf s VAL 21 N 1.23 1.15 -0.13 3.82 -7.23 -1.21 -5.05 120.40 112.98 1jxf s VAL 21 Ca -0.08 -0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1jxf s VAL 21 Cb -0.12 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 35.83 1jxf s VAL 21 CO -0.05 0.09 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.85 1jxf s THR 22 N -0.72 1.16 0.39 5.32 2.01 -1.26 -2.24 115.64 120.30 1jxf s THR 22 Ca 0.03 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.67 1jxf s THR 22 Cb -0.07 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1jxf s THR 22 CO 0.01 0.36 0.15 2.30 -0.69 0.00 0.00 174.62 176.76 1jxf n ILE 23 N 4.90 0.00 -1.48 1.82 -6.64 -1.15 -4.78 119.36 112.02 1jxf n ILE 23 Ca -0.13 -2.34 -0.30 0.00 -1.77 0.00 0.00 62.75 58.21 1jxf n ILE 23 Cb 0.50 0.87 0.20 0.00 -1.44 0.00 0.00 39.64 39.77 1jxf n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1jxf s LYS 24 N -3.51 -0.13 -0.76 6.28 1.02 -1.26 -1.99 119.74 119.39 1jxf s LYS 24 Ca 0.22 -0.14 -0.15 0.00 0.02 0.00 0.00 55.97 55.92 1jxf s LYS 24 Cb 0.01 -1.73 0.19 0.00 -0.52 0.00 0.00 37.83 35.78 1jxf s LYS 24 CO 0.15 -2.97 0.71 0.00 -0.92 0.00 0.00 175.35 172.32 1jxf s ALA 25 N -3.39 3.96 0.00 5.17 0.00 -1.25 -3.96 121.76 122.28 1jxf s ALA 25 Ca 0.71 -3.11 0.00 0.00 0.00 0.00 0.00 51.96 49.56 1jxf s ALA 25 Cb -0.08 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1jxf s ALA 25 CO 0.54 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 174.48 1jxf n GLY 26 N 4.32 0.66 3.87 0.00 0.00 -0.62 -4.82 105.19 108.60 1jxf n GLY 26 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.33 0.49 1.61 2.56 -1.25 -4.65 118.70 118.79 1jxf s GLU 27 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.97 55.03 1jxf s GLU 27 Cb 0.00 -1.89 -0.01 0.00 2.00 0.00 0.00 34.13 34.24 1jxf s GLU 27 CO 0.00 -2.02 0.20 -1.21 -0.56 0.00 0.00 175.26 171.67 1jxf s GLU 28 N -5.58 2.22 -0.03 4.30 8.01 -1.26 -0.95 118.70 125.41 1jxf s GLU 28 Ca 0.66 -2.10 -0.02 0.00 0.01 0.00 0.00 54.97 53.51 1jxf s GLU 28 Cb -0.10 -1.86 0.02 0.00 -4.31 0.00 0.00 34.13 27.87 1jxf s GLU 28 CO 0.51 -0.38 0.08 0.08 0.01 0.00 0.00 175.26 175.56 1jxf s VAL 29 N -2.76 -0.02 0.03 2.63 1.01 -0.24 -3.41 120.40 117.64 1jxf s VAL 29 Ca 0.26 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1jxf s VAL 29 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1jxf s VAL 29 CO 0.15 0.02 -0.10 -0.75 0.00 0.00 0.00 175.10 174.43 1jxf s LYS 30 N 0.37 2.38 0.49 2.72 2.20 -0.99 -1.46 119.74 125.46 1jxf s LYS 30 Ca -0.03 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 54.82 1jxf s LYS 30 Cb -0.04 -2.40 0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1jxf s LYS 30 CO -0.01 0.57 0.35 -1.58 -0.36 0.00 0.00 175.35 174.32 1jxf s TRP 31 N -1.01 2.04 -0.02 4.03 0.51 -0.82 -2.30 118.94 121.37 1jxf s TRP 31 Ca 0.17 -0.73 -0.05 0.00 -2.12 0.00 0.00 56.10 53.38 1jxf s TRP 31 Cb -0.11 -1.97 0.00 0.00 -0.81 0.00 0.00 33.47 30.59 1jxf s TRP 31 CO 0.08 -0.26 0.11 0.08 -0.51 0.00 0.00 176.95 176.45 1jxf s VAL 32 N -2.68 0.05 0.35 4.03 1.01 -0.91 -4.07 120.40 118.17 1jxf s VAL 32 Ca 0.37 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 1jxf s VAL 32 Cb -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 36.38 35.98 1jxf s VAL 32 CO 0.22 -0.22 0.97 0.20 0.00 0.00 0.00 175.10 176.27 1jxf s ASN 33 N -0.74 7.17 0.00 3.32 -0.87 -1.22 -2.03 114.94 120.57 1jxf s ASN 33 Ca -0.08 1.86 0.00 0.00 -1.57 0.00 0.00 52.86 53.07 1jxf s ASN 33 Cb -0.05 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1jxf s ASN 33 CO 0.01 -0.19 0.00 -3.20 -2.57 0.00 0.00 177.10 171.15 1jxf n ASN 34 N 0.29 0.24 -4.32 -1.22 2.85 -1.26 -4.82 115.26 107.02 1jxf n ASN 34 Ca 0.03 -0.30 -0.26 0.00 -0.11 0.00 0.00 54.58 53.94 1jxf n ASN 34 Cb 0.50 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.68 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1jxf n LYS 35 N 0.00 -0.61 -2.49 1.20 4.76 -1.26 -4.43 118.16 115.33 1jxf n LYS 35 Ca 0.00 -2.49 -0.13 0.00 -2.87 0.00 0.00 58.31 52.83 1jxf n LYS 35 Cb 0.00 -0.96 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 1jxf n LYS 35 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jxf n LEU 36 N 0.00 -1.92 -4.81 -0.35 4.32 -1.26 -4.81 117.00 108.17 1jxf n LEU 36 Ca 0.17 -0.10 -0.30 0.00 -0.02 0.00 0.00 56.01 55.76 1jxf n LEU 36 Cb 0.59 -1.94 0.08 0.00 -1.62 0.00 0.00 43.42 40.53 1jxf n LEU 36 CO 0.41 0.02 0.71 -0.94 -1.22 0.00 0.00 177.39 176.37 1jxf s SER 37 N -2.66 4.78 0.77 -1.43 1.04 -1.26 -4.51 113.70 110.43 1jxf s SER 37 Ca 0.10 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 57.83 1jxf s SER 37 Cb -0.04 -2.20 0.05 0.00 0.10 0.00 0.00 66.02 63.93 1jxf s SER 37 CO 0.12 -1.80 1.09 -2.16 0.98 0.00 0.00 173.24 171.47 1jxf s PRO 38 N -5.11 2.33 -0.32 4.02 0.04 -1.25 -5.10 135.00 129.61 1jxf s PRO 38 Ca 0.60 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 1jxf s PRO 38 Cb -0.14 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1jxf s PRO 38 CO 0.55 -1.47 0.09 -1.01 0.04 0.00 0.00 177.00 175.20 1jxf s HIS 39 N -3.12 2.02 0.72 0.56 3.76 -1.22 -4.86 115.29 113.14 1jxf s HIS 39 Ca 0.60 -1.94 -0.09 0.00 -0.15 0.00 0.00 55.06 53.48 1jxf s HIS 39 Cb -0.14 -1.90 0.05 0.00 1.11 0.00 0.00 32.58 31.69 1jxf s HIS 39 CO 0.54 -0.89 1.06 -0.80 -0.85 0.00 0.00 174.74 173.80 1jxf s ASN 40 N 1.49 4.97 -0.29 1.40 -0.87 -1.26 -3.81 114.94 116.56 1jxf s ASN 40 Ca 0.10 0.72 -0.01 0.00 -1.57 0.00 0.00 52.86 52.09 1jxf s ASN 40 Cb -0.18 -1.40 0.13 0.00 -0.02 0.00 0.00 41.25 39.77 1jxf s ASN 40 CO -0.22 -1.55 0.25 -0.63 -2.57 0.00 0.00 177.10 172.38 1jxf s ILE 41 N -3.32 -0.31 -0.19 0.60 1.01 -1.20 -4.31 121.20 113.49 1jxf s ILE 41 Ca 0.59 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 1jxf s ILE 41 Cb -0.11 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1jxf s ILE 41 CO 0.47 -0.55 -0.15 0.68 0.00 0.00 0.00 174.94 175.40 1jxf s VAL 42 N 2.28 2.49 -0.75 2.92 -7.23 -1.12 0.80 120.40 119.78 1jxf s VAL 42 Ca 0.09 -0.79 -0.20 0.00 -1.81 0.00 0.00 61.98 59.27 1jxf s VAL 42 Cb -0.15 -2.08 0.11 0.00 0.56 0.00 0.00 36.38 34.83 1jxf s VAL 42 CO -0.34 0.50 0.95 -0.36 -0.31 0.00 0.00 175.10 175.54 1jxf s PHE 43 N 1.33 2.98 -0.16 2.82 0.08 -1.26 -2.43 117.98 121.33 1jxf s PHE 43 Ca 0.05 -1.04 -0.29 0.00 0.12 0.00 0.00 56.93 55.76 1jxf s PHE 43 Cb -0.13 -4.20 -0.02 0.00 -0.57 0.00 0.00 43.02 38.10 1jxf s PHE 43 CO -0.09 -1.47 1.29 0.00 -0.10 0.00 0.00 175.22 174.85 1jxf s ALA 44 N 3.01 3.65 -0.88 5.36 0.00 -0.62 -4.67 121.76 127.61 1jxf s ALA 44 Ca 0.23 0.47 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 1jxf s ALA 44 Cb -0.14 -3.63 -0.22 0.00 0.00 0.00 0.00 23.12 19.13 1jxf s ALA 44 CO 0.01 -1.21 2.45 0.00 0.00 0.00 0.00 175.76 177.00 1jxf n ALA 45 N 6.69 0.64 -3.58 0.00 0.00 -1.26 -4.18 120.51 118.81 1jxf n ALA 45 Ca 0.14 -0.72 -0.27 0.00 0.00 0.00 0.00 53.44 52.59 1jxf n ALA 45 Cb 0.45 -2.62 -0.09 0.00 0.00 0.00 0.00 19.45 17.18 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jxf n ASP 46 N 11.17 3.27 0.00 0.00 9.92 -1.26 -4.70 116.55 134.95 1jxf n ASP 46 Ca 0.59 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 1jxf n ASP 46 Cb 0.21 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jxf n GLY 47 N 1.31 2.12 3.87 0.44 0.00 -1.26 -4.63 105.19 107.03 1jxf n GLY 47 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.42 0.00 -1.52 1.61 3.14 -1.25 -4.70 118.33 115.19 1jxf n VAL 48 Ca 0.00 -2.02 -0.29 0.00 -2.96 0.00 0.00 64.34 59.07 1jxf n VAL 48 Cb 0.00 -0.34 0.15 0.00 -1.06 0.00 0.00 33.84 32.59 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 -4.47 3.29 -0.00 6.55 1.01 -1.26 -4.82 116.67 116.98 1jxf s ASP 49 Ca 0.50 0.91 -0.00 0.00 0.71 0.00 0.00 52.55 54.67 1jxf s ASP 49 Cb -0.04 -1.43 -0.00 0.00 1.01 0.00 0.00 42.92 42.46 1jxf s ASP 49 CO 0.32 -2.68 -0.00 0.00 0.21 0.00 0.00 175.17 173.02 1jxf h ALA 50 N -1.59 0.00 -1.01 5.23 0.00 -1.97 -2.76 119.26 117.16 1jxf h ALA 50 Ca -0.50 -0.07 0.36 0.00 0.00 0.00 0.00 54.91 54.70 1jxf h ALA 50 Cb 1.32 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.96 1jxf h ALA 50 CO 0.59 0.00 0.57 -0.44 0.00 0.00 0.00 179.25 179.97 1jxf h ASP 51 N -0.01 0.44 0.83 0.00 3.32 -1.98 1.21 116.42 120.23 1jxf h ASP 51 Ca 0.00 0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1jxf h ASP 51 Cb 0.00 0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1jxf h ASP 51 CO 0.00 -0.24 -0.40 0.74 -1.72 0.00 0.00 179.24 177.62 1jxf h THR 52 N 0.21 0.00 0.00 0.35 2.02 -1.97 -2.00 112.91 111.51 1jxf h THR 52 Ca 0.78 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.89 1jxf h THR 52 Cb 1.90 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1jxf h THR 52 CO -0.65 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.24 1jxf n ALA 53 N -2.60 1.24 0.27 6.16 0.00 0.46 -2.45 120.51 123.59 1jxf n ALA 53 Ca -0.14 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1jxf n ALA 53 Cb 0.44 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 2.11 -0.93 -0.07 0.00 0.00 0.21 1.20 119.26 121.77 1jxf h ALA 54 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jxf h ALA 54 Cb 0.11 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jxf h ALA 54 CO 0.00 -0.88 0.06 -0.22 0.00 0.00 0.00 179.25 178.21 1jxf h LYS 55 N -0.87 0.00 0.00 0.00 3.64 -1.19 0.22 116.57 118.37 1jxf h LYS 55 Ca -0.07 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 1jxf h LYS 55 Cb 0.53 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1jxf h LYS 55 CO 0.12 0.00 -0.87 -0.07 -2.27 0.00 0.00 179.45 176.36 1jxf h LEU 56 N 0.00 0.00-10.21 5.20 4.07 -1.30 -3.46 115.31 109.62 1jxf h LEU 56 Ca 0.03 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.50 1jxf h LEU 56 Cb 0.16 0.00 0.06 0.00 1.08 0.00 0.00 40.66 41.96 1jxf h LEU 56 CO -0.00 0.87 0.38 -0.94 -1.08 0.00 0.00 178.44 177.67 1jxf s SER 57 N -6.71 5.80 -0.31 -0.43 1.04 0.41 -4.73 113.70 108.77 1jxf s SER 57 Ca 0.01 1.79 -0.01 0.00 0.48 0.00 0.00 55.95 58.22 1jxf s SER 57 Cb 0.10 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.79 1jxf s SER 57 CO 0.80 -1.15 0.10 -1.00 0.98 0.00 0.00 173.24 172.96 1jxf s HIS 58 N -2.51 1.66 -0.26 5.02 3.76 0.24 -4.88 115.29 118.31 1jxf s HIS 58 Ca 0.63 -1.70 -0.04 0.00 -0.15 0.00 0.00 55.06 53.80 1jxf s HIS 58 Cb -0.16 -1.68 -0.06 0.00 1.11 0.00 0.00 32.58 31.79 1jxf s HIS 58 CO 0.38 -0.87 3.06 1.63 -0.85 0.00 0.00 174.74 178.09 1jxf n LYS 59 N 4.86 2.19 0.00 1.40 5.02 -1.26 -3.22 118.16 127.15 1jxf n LYS 59 Ca -0.02 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1jxf n LYS 59 Cb 0.42 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 1.50 4.91 2.36 0.72 0.00 -1.26 -5.08 105.19 108.34 1jxf n GLY 60 Ca 0.45 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 1jxf n GLY 60 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jxf n LEU 61 N 0.00 0.00 -3.70 0.99 -0.00 -1.26 -4.61 117.00 108.41 1jxf n LEU 61 Ca 0.00 -1.63 -0.14 0.00 -0.00 0.00 0.00 56.01 54.24 1jxf n LEU 61 Cb 0.00 2.40 -0.14 0.00 -0.00 0.00 0.00 43.42 45.68 1jxf n LEU 61 CO 0.00 -0.54 -0.18 0.00 -0.00 0.00 0.00 177.39 176.67 1jxf s ALA 62 N -1.69 -0.37 0.00 1.47 0.00 -1.25 -4.86 121.76 115.06 1jxf s ALA 62 Ca 0.10 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1jxf s ALA 62 Cb -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1jxf s ALA 62 CO 0.08 -0.37 0.00 1.19 0.00 0.00 0.00 175.76 176.65 1jxf n PHE 63 N 4.74 0.00 -3.06 0.00 3.01 -1.26 -3.44 117.46 117.46 1jxf n PHE 63 Ca -0.16 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.90 1jxf n PHE 63 Cb 0.51 0.10 -0.05 0.00 -0.01 0.00 0.00 39.48 40.04 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 -1.54 3.37 -0.80 4.37 0.00 -1.26 -5.00 121.76 120.90 1jxf s ALA 64 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 1jxf s ALA 64 Cb 0.00 -2.93 0.05 0.00 0.00 0.00 0.00 23.12 20.24 1jxf s ALA 64 CO 0.00 -0.02 1.25 0.00 0.00 0.00 0.00 175.76 176.99 1jxf s ALA 65 N 0.42 2.85 0.00 0.00 0.00 -1.26 -3.29 121.76 120.48 1jxf s ALA 65 Ca 0.37 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1jxf s ALA 65 Cb -0.18 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.70 1jxf s ALA 65 CO 0.19 -3.25 0.00 0.41 0.00 0.00 0.00 175.76 173.11 1jxf n GLY 66 N 5.71 0.38 3.76 0.00 0.00 -1.26 -5.06 105.19 108.72 1jxf n GLY 66 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1jxf n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxf s GLU 67 N 0.00 4.64 0.17 1.61 0.41 -1.21 -4.90 118.70 119.42 1jxf s GLU 67 Ca 0.00 1.69 0.01 0.00 -0.41 0.00 0.00 54.97 56.27 1jxf s GLU 67 Cb 0.00 -3.13 -0.05 0.00 -1.78 0.00 0.00 34.13 29.17 1jxf s GLU 67 CO 0.00 0.24 0.02 -1.12 -0.49 0.00 0.00 175.26 173.91 1jxf s SER 68 N -1.04 1.02 0.45 -0.19 0.01 -1.26 -3.40 113.70 109.29 1jxf s SER 68 Ca 0.45 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.57 1jxf s SER 68 Cb -0.29 0.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.04 1jxf s SER 68 CO 0.37 -0.61 0.01 -0.36 0.41 0.00 0.00 173.24 173.07 1jxf s PHE 69 N -3.74 2.29 0.04 2.43 0.08 -1.26 -4.93 117.98 112.89 1jxf s PHE 69 Ca 0.25 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.54 1jxf s PHE 69 Cb 0.06 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1jxf s PHE 69 CO 0.04 0.36 -0.07 0.99 -0.10 0.00 0.00 175.22 176.44 1jxf s THR 70 N -2.77 0.45 -0.07 0.64 2.01 -1.26 -1.95 115.64 112.70 1jxf s THR 70 Ca 0.25 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1jxf s THR 70 Cb 0.07 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 72.01 1jxf s THR 70 CO 0.13 -0.44 0.19 -0.55 -0.69 0.00 0.00 174.62 173.26 1jxf s SER 71 N -1.63 -0.19 -0.23 3.53 0.15 -0.54 -4.94 113.70 109.86 1jxf s SER 71 Ca -0.10 0.38 -0.17 0.00 0.70 0.00 0.00 55.95 56.76 1jxf s SER 71 Cb -0.09 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1jxf s SER 71 CO -0.00 -0.09 0.44 -0.89 1.20 0.00 0.00 173.24 173.91 1jxf s THR 72 N 0.36 5.15 -0.67 6.45 2.01 -1.26 -1.07 115.64 126.60 1jxf s THR 72 Ca -0.02 0.77 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 1jxf s THR 72 Cb -0.04 -3.77 0.42 0.00 0.01 0.00 0.00 72.50 69.12 1jxf s THR 72 CO -0.02 0.18 1.90 0.49 -0.69 0.00 0.00 174.62 176.49 1jxf n PHE 73 N 4.91 3.12 0.01 4.92 3.01 -0.12 -4.73 117.46 128.59 1jxf n PHE 73 Ca -0.07 -2.74 -0.01 0.00 1.01 0.00 0.00 57.45 55.65 1jxf n PHE 73 Cb 0.51 -1.18 -0.00 0.00 -0.01 0.00 0.00 39.48 38.79 1jxf n PHE 73 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jxf h THR 74 N 1.53 0.00 -2.45 4.37 2.02 -1.83 -1.65 112.91 114.90 1jxf h THR 74 Ca 0.55 -0.01 -0.53 0.00 0.77 0.00 0.00 66.41 67.19 1jxf h THR 74 Cb 0.64 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1jxf h THR 74 CO 1.42 0.00 1.12 1.21 0.37 0.00 0.00 175.52 179.65 1jxf n GLU 75 N -2.14 2.78 -2.36 6.66 4.07 -1.26 -3.91 120.64 124.48 1jxf n GLU 75 Ca -0.00 1.01 -0.43 0.00 -0.06 0.00 0.00 57.16 57.68 1jxf n GLU 75 Cb 0.02 -2.91 -0.02 0.00 -0.06 0.00 0.00 31.44 28.46 1jxf n GLU 75 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1jxf s PRO 76 N 2.99 3.75 0.00 5.31 0.04 -1.26 -4.87 135.00 140.96 1jxf s PRO 76 Ca 0.83 1.14 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1jxf s PRO 76 Cb -0.48 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1jxf s PRO 76 CO 0.38 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1jxf n GLY 77 N 4.69 2.52 2.73 0.56 0.00 -1.26 -4.99 105.19 109.44 1jxf n GLY 77 Ca 0.16 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1jxf n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jxf s THR 78 N -1.65 0.52 -0.16 2.61 -1.32 -1.26 -2.29 115.64 112.09 1jxf s THR 78 Ca 0.00 -0.57 -0.08 0.00 -1.21 0.00 0.00 61.69 59.83 1jxf s THR 78 Cb 0.00 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1jxf s THR 78 CO 0.00 -0.22 0.10 -0.31 -2.21 0.00 0.00 174.62 171.98 1jxf s TYR 79 N 1.86 3.38 -0.26 9.09 1.51 -1.19 -3.80 117.35 127.93 1jxf s TYR 79 Ca -0.01 0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1jxf s TYR 79 Cb -0.17 -2.04 0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1jxf s TYR 79 CO -0.08 0.37 -0.09 0.99 -1.11 0.00 0.00 175.55 175.63 1jxf s THR 80 N -0.09 2.38 -0.15 -0.71 2.01 -1.26 -0.26 115.64 117.56 1jxf s THR 80 Ca 0.08 -1.51 -0.03 0.00 0.31 0.00 0.00 61.69 60.55 1jxf s THR 80 Cb -0.12 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1jxf s THR 80 CO 0.01 0.00 -0.07 -0.72 -0.69 0.00 0.00 174.62 173.15 1jxf s TYR 81 N 1.16 2.96 0.44 4.92 1.13 -1.08 -1.59 117.35 125.29 1jxf s TYR 81 Ca -0.07 -0.41 0.03 0.00 -1.41 0.00 0.00 57.07 55.21 1jxf s TYR 81 Cb -0.19 -1.92 -0.02 0.00 -1.10 0.00 0.00 41.96 38.72 1jxf s TYR 81 CO -0.05 -0.10 0.10 1.52 -2.51 0.00 0.00 175.55 174.51 1jxf s TYR 82 N 0.37 1.80 -0.10 -3.49 -0.85 -1.02 -0.89 117.35 113.19 1jxf s TYR 82 Ca -0.06 -1.20 -0.29 0.00 -0.52 0.00 0.00 57.07 55.00 1jxf s TYR 82 Cb -0.15 -1.29 -0.02 0.00 0.38 0.00 0.00 41.96 40.89 1jxf s TYR 82 CO 0.04 -0.16 0.96 0.00 -1.52 0.00 0.00 175.55 174.87 1jxf h GLU 84 N 7.06 -0.06 0.00 0.00 4.81 -1.94 1.44 114.58 125.89 1jxf h GLU 84 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1jxf h GLU 84 Cb 1.16 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1jxf h GLU 84 CO 0.83 0.04 0.00 -1.00 -0.73 0.00 0.00 179.01 178.15 1jxf h PRO 85 N -0.15 0.00 -1.00 0.92 0.13 -1.92 -3.18 132.00 126.80 1jxf h PRO 85 Ca -0.01 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1jxf h PRO 85 Cb 0.13 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.84 1jxf h PRO 85 CO 0.01 0.00 -0.93 0.72 -0.23 0.00 0.00 178.00 177.57 1jxf n HIS 86 N -2.61 2.35 1.59 1.56 8.25 -0.92 -4.79 115.22 120.65 1jxf n HIS 86 Ca 0.03 -2.63 0.13 0.00 -0.26 0.00 0.00 57.72 54.99 1jxf n HIS 86 Cb 0.37 -0.24 0.76 0.00 1.12 0.00 0.00 29.99 31.99 1jxf n HIS 86 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1jxf n ARG 87 N -0.47 0.78 -2.91 -0.41 1.85 0.49 -3.64 116.66 112.34 1jxf n ARG 87 Ca 0.28 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.01 1jxf n ARG 87 Cb 0.80 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.75 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jxf n GLY 88 N 0.64 1.90 1.88 2.89 0.00 -1.26 -4.93 105.19 106.31 1jxf n GLY 88 Ca 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.26 3.00 0.00 4.61 0.00 -1.24 -5.06 120.51 122.08 1jxf n ALA 89 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1jxf n ALA 89 Cb 0.70 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 1.69 0.00 2.65 0.00 0.00 -1.26 -5.14 105.19 103.12 1jxf n GLY 90 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1jxf n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jxf s MET 91 N 0.00 0.28 0.19 1.61 0.00 -1.26 -4.88 119.30 115.23 1jxf s MET 91 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 55.69 55.22 1jxf s MET 91 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 34.83 33.89 1jxf s MET 91 CO 0.00 -1.04 0.27 0.54 0.00 0.00 0.00 175.02 174.79 1jxf s VAL 92 N 2.16 0.04 0.05 10.11 0.11 -1.26 -2.61 120.40 129.00 1jxf s VAL 92 Ca 0.10 -1.59 -0.03 0.00 -2.93 0.00 0.00 61.98 57.53 1jxf s VAL 92 Cb -0.15 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.58 1jxf s VAL 92 CO -0.32 -0.19 0.03 -0.83 -3.33 0.00 0.00 175.10 170.45 1jxf s GLY 93 N -3.03 0.34 0.03 6.54 0.00 -0.07 -4.49 107.32 106.64 1jxf s GLY 93 Ca 0.24 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 44.09 1jxf s GLY 93 CO 0.05 -1.06 -0.20 1.25 0.00 0.00 0.00 173.10 173.13 1jxf s LYS 94 N -3.44 1.41 0.11 2.90 2.20 0.64 -2.62 119.74 120.94 1jxf s LYS 94 Ca 0.02 -0.89 0.08 0.00 -0.36 0.00 0.00 55.97 54.82 1jxf s LYS 94 Cb 0.04 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 1jxf s LYS 94 CO -0.08 0.39 -0.21 0.08 -0.36 0.00 0.00 175.35 175.17 1jxf s VAL 95 N -0.74 1.72 -0.14 4.02 1.01 0.64 -3.32 120.40 123.59 1jxf s VAL 95 Ca 0.07 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1jxf s VAL 95 Cb -0.09 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.77 1jxf s VAL 95 CO 0.01 -0.09 0.20 -0.69 0.00 0.00 0.00 175.10 174.54 1jxf s VAL 96 N -1.26 -0.32 -0.04 2.92 1.01 -0.95 -3.17 120.40 118.59 1jxf s VAL 96 Ca 0.07 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1jxf s VAL 96 Cb -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1jxf s VAL 96 CO 0.04 0.00 0.05 -0.69 0.00 0.00 0.00 175.10 174.51 1jxf s VAL 97 N 2.33 4.60 0.00 2.92 1.01 -0.97 -2.96 120.40 127.33 1jxf s VAL 97 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1jxf s VAL 97 Cb -0.13 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1jxf s VAL 97 CO -0.09 0.47 0.00 0.47 0.00 0.00 0.00 175.10 175.95