#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 6.76 0.42 0.00 2.20 -1.26 -4.87 114.94 118.18 1jxf s ASN 2 Ca 0.00 1.33 -0.23 0.00 -0.94 0.00 0.00 52.86 53.02 1jxf s ASN 2 Cb 0.00 -2.39 -0.09 0.00 -2.00 0.00 0.00 41.25 36.77 1jxf s ASN 2 CO 0.00 -0.27 1.05 0.00 -2.94 0.00 0.00 177.10 174.94 1jxf s ALA 3 N -2.09 3.04 -0.12 3.54 0.00 -1.18 -4.99 121.76 119.96 1jxf s ALA 3 Ca 0.55 0.69 0.01 0.00 0.00 0.00 0.00 51.96 53.21 1jxf s ALA 3 Cb -0.10 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1jxf s ALA 3 CO 0.19 -0.24 -0.12 0.99 0.00 0.00 0.00 175.76 176.58 1jxf s THR 4 N -1.72 1.34 0.03 0.00 2.01 -1.26 -2.79 115.64 113.24 1jxf s THR 4 Ca 0.60 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 62.14 1jxf s THR 4 Cb -0.21 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1jxf s THR 4 CO 0.26 0.42 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.76 1jxf s VAL 5 N 1.39 1.28 -0.08 3.82 1.01 -0.93 -4.36 120.40 122.52 1jxf s VAL 5 Ca 0.01 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1jxf s VAL 5 Cb -0.13 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1jxf s VAL 5 CO -0.07 0.13 -0.24 -1.59 0.00 0.00 0.00 175.10 173.33 1jxf s LYS 6 N -0.98 2.80 -0.29 2.72 -2.85 -0.97 -1.25 119.74 118.92 1jxf s LYS 6 Ca 0.04 -0.89 -0.05 0.00 -1.00 0.00 0.00 55.97 54.07 1jxf s LYS 6 Cb -0.08 -2.23 -0.13 0.00 -2.06 0.00 0.00 37.83 33.33 1jxf s LYS 6 CO 0.01 0.28 3.25 -1.33 0.10 0.00 0.00 175.35 177.66 1jxf n MET 7 N 3.22 2.31 0.00 1.78 2.81 -0.82 -3.71 117.12 122.72 1jxf n MET 7 Ca -0.18 -1.62 0.00 0.00 -1.81 0.00 0.00 57.70 54.09 1jxf n MET 7 Cb 0.52 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 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 1.94 4.71 3.79 3.03 0.00 -1.22 -4.25 105.19 113.19 1jxf n GLY 8 Ca 0.48 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 6.87 -1.15 1.61 1.04 -0.55 -4.79 113.70 116.74 1jxf s SER 9 Ca 0.00 1.96 -0.10 0.00 0.48 0.00 0.00 55.95 58.29 1jxf s SER 9 Cb 0.00 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.47 1jxf s SER 9 CO 0.00 -0.41 2.34 -0.90 0.98 0.00 0.00 173.24 175.25 1jxf n ASP 10 N -0.03 5.59 0.01 7.02 5.75 -1.26 -3.56 116.55 130.08 1jxf n ASP 10 Ca 0.05 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1jxf n ASP 10 Cb 0.50 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1jxf n SER 11 N 4.66 -0.16 0.00 -1.12 2.88 -1.26 -5.06 113.62 113.56 1jxf n SER 11 Ca 0.56 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1jxf n SER 11 Cb 0.22 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.13 0.00 2.65 0.46 0.00 -1.23 -5.06 105.19 100.88 1jxf n GLY 12 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.68 4.61 0.00 -1.26 -5.03 121.76 119.73 1jxf s ALA 13 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.68 1jxf s ALA 13 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1jxf s ALA 13 CO 0.00 -0.76 1.59 -0.48 0.00 0.00 0.00 175.76 176.10 1jxf s LEU 14 N 2.15 3.23 -0.04 0.00 0.05 -1.26 -1.48 118.68 121.33 1jxf s LEU 14 Ca 0.04 -0.05 -0.02 0.00 0.05 0.00 0.00 54.13 54.15 1jxf s LEU 14 Cb -0.14 -2.54 0.03 0.00 -2.05 0.00 0.00 46.19 41.49 1jxf s LEU 14 CO -0.05 -2.12 0.09 0.68 -0.55 0.00 0.00 176.35 174.40 1jxf s VAL 15 N 7.49 -0.05 -0.60 1.48 -7.23 -1.26 -4.81 120.40 115.42 1jxf s VAL 15 Ca 0.52 0.17 -0.28 0.00 -1.81 0.00 0.00 61.98 60.59 1jxf s VAL 15 Cb -0.10 -0.17 0.03 0.00 0.56 0.00 0.00 36.38 36.70 1jxf s VAL 15 CO 0.18 0.07 1.17 -0.36 -0.31 0.00 0.00 175.10 175.85 1jxf s PHE 16 N 1.00 2.59 -0.02 2.82 0.08 -1.26 -3.42 117.98 119.77 1jxf s PHE 16 Ca -0.08 0.30 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 1jxf s PHE 16 Cb -0.11 -4.47 0.02 0.00 -0.57 0.00 0.00 43.02 37.89 1jxf s PHE 16 CO -0.04 -1.62 0.03 -2.00 -0.10 0.00 0.00 175.22 171.49 1jxf s GLU 17 N 4.91 -0.00 0.12 0.44 2.12 -1.24 -1.72 118.70 123.33 1jxf s GLU 17 Ca 0.40 0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.56 1jxf s GLU 17 Cb -0.08 -0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.11 1jxf s GLU 17 CO 0.23 -0.09 1.14 -1.25 -0.54 0.00 0.00 175.26 174.75 1jxf s PRO 18 N 0.61 4.51 0.38 4.30 0.04 -1.26 -2.29 135.00 141.30 1jxf s PRO 18 Ca -0.05 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.80 1jxf s PRO 18 Cb -0.07 -3.32 0.83 0.00 0.04 0.00 0.00 34.50 31.98 1jxf s PRO 18 CO -0.02 -0.09 1.97 0.66 0.04 0.00 0.00 177.00 179.57 1jxf h SER 19 N 5.95 0.57 -3.21 6.66 4.64 -1.64 -3.39 113.55 123.12 1jxf h SER 19 Ca -0.43 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.29 1jxf h SER 19 Cb 1.21 -0.12 -0.35 0.00 -0.31 0.00 0.00 62.40 62.84 1jxf h SER 19 CO 0.76 0.37 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.36 1jxf s THR 20 N -5.59 1.59 -0.00 2.95 2.01 -1.26 0.06 115.64 115.40 1jxf s THR 20 Ca -0.09 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1jxf s THR 20 Cb 0.19 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1jxf s THR 20 CO 0.76 0.46 -0.16 0.68 -0.69 0.00 0.00 174.62 175.67 1jxf s VAL 21 N 1.11 1.28 -0.21 3.82 -7.23 -1.14 -5.02 120.40 113.01 1jxf s VAL 21 Ca -0.03 -0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.39 1jxf s VAL 21 Cb -0.14 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 35.78 1jxf s VAL 21 CO -0.04 0.32 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.15 1jxf s THR 22 N -0.44 1.16 0.50 5.32 2.01 -1.26 -1.53 115.64 121.40 1jxf s THR 22 Ca 0.06 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1jxf s THR 22 Cb -0.06 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1jxf s THR 22 CO -0.00 -0.08 0.03 2.30 -0.69 0.00 0.00 174.62 176.17 1jxf n ILE 23 N 4.82 0.00 -1.50 1.82 -6.64 -1.10 -5.03 119.36 111.73 1jxf n ILE 23 Ca -0.11 -2.32 -0.30 0.00 -1.77 0.00 0.00 62.75 58.25 1jxf n ILE 23 Cb 0.46 0.43 0.20 0.00 -1.44 0.00 0.00 39.64 39.29 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 -3.82 -0.15 -0.88 6.28 1.02 -1.26 -2.45 119.74 118.47 1jxf s LYS 24 Ca 0.02 -0.18 -0.15 0.00 0.02 0.00 0.00 55.97 55.69 1jxf s LYS 24 Cb -0.00 -1.73 0.21 0.00 -0.52 0.00 0.00 37.83 35.78 1jxf s LYS 24 CO 0.02 -2.98 0.88 0.00 -0.92 0.00 0.00 175.35 172.34 1jxf s ALA 25 N -3.42 4.00 0.00 5.17 0.00 -1.12 -3.85 121.76 122.53 1jxf s ALA 25 Ca 0.71 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 49.41 1jxf s ALA 25 Cb -0.08 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1jxf s ALA 25 CO 0.54 -2.42 0.00 0.41 0.00 0.00 0.00 175.76 174.29 1jxf n GLY 26 N 4.17 0.60 3.78 0.00 0.00 0.99 -4.77 105.19 109.94 1jxf n GLY 26 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 0.63 0.35 1.61 2.56 -1.25 -4.63 118.70 117.96 1jxf s GLU 27 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 54.97 55.16 1jxf s GLU 27 Cb 0.00 -1.80 -0.05 0.00 2.00 0.00 0.00 34.13 34.28 1jxf s GLU 27 CO 0.00 -2.51 0.04 -1.21 -0.56 0.00 0.00 175.26 171.02 1jxf s GLU 28 N -5.41 2.10 -0.02 4.30 8.01 -1.26 -1.14 118.70 125.27 1jxf s GLU 28 Ca 0.67 -1.77 0.01 0.00 0.01 0.00 0.00 54.97 53.89 1jxf s GLU 28 Cb -0.12 -1.93 0.01 0.00 -4.31 0.00 0.00 34.13 27.78 1jxf s GLU 28 CO 0.54 0.10 -0.04 0.08 0.01 0.00 0.00 175.26 175.94 1jxf s VAL 29 N -2.54 0.40 0.04 2.63 1.01 -0.64 -3.09 120.40 118.21 1jxf s VAL 29 Ca 0.36 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1jxf s VAL 29 Cb 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1jxf s VAL 29 CO 0.20 0.15 -0.12 -0.75 0.00 0.00 0.00 175.10 174.58 1jxf s LYS 30 N 0.39 2.28 -0.19 2.72 2.20 -1.12 -1.55 119.74 124.47 1jxf s LYS 30 Ca -0.04 -0.88 0.01 0.00 -0.36 0.00 0.00 55.97 54.70 1jxf s LYS 30 Cb -0.08 -2.34 0.03 0.00 -1.51 0.00 0.00 37.83 33.93 1jxf s LYS 30 CO -0.00 0.56 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.80 1jxf s TRP 31 N -1.01 2.74 0.18 4.03 0.51 -1.05 -2.19 118.94 122.15 1jxf s TRP 31 Ca 0.17 -1.71 -0.19 0.00 -2.12 0.00 0.00 56.10 52.25 1jxf s TRP 31 Cb -0.11 -1.84 -0.08 0.00 -0.81 0.00 0.00 33.47 30.63 1jxf s TRP 31 CO 0.08 -0.79 0.68 0.54 -0.51 0.00 0.00 176.95 176.94 1jxf s VAL 32 N 1.30 4.62 0.61 4.03 0.11 -0.38 -2.09 120.40 128.59 1jxf s VAL 32 Ca 0.02 1.25 -0.15 0.00 -2.93 0.00 0.00 61.98 60.17 1jxf s VAL 32 Cb -0.15 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.79 1jxf s VAL 32 CO -0.11 0.31 1.05 0.21 -3.33 0.00 0.00 175.10 173.23 1jxf s ASN 33 N -1.52 5.80 0.20 3.54 2.47 -1.26 -1.95 114.94 122.22 1jxf s ASN 33 Ca 0.39 1.74 -0.02 0.00 0.42 0.00 0.00 52.86 55.40 1jxf s ASN 33 Cb -0.18 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.11 1jxf s ASN 33 CO 0.21 -1.15 0.28 0.59 -3.72 0.00 0.00 177.10 173.31 1jxf n ASN 34 N -2.21 -0.79 -3.45 -4.21 4.13 -1.26 -4.78 115.26 102.68 1jxf n ASN 34 Ca 0.08 -2.03 -0.24 0.00 1.68 0.00 0.00 54.58 54.07 1jxf n ASN 34 Cb 0.53 1.46 0.19 0.00 -1.54 0.00 0.00 39.78 40.42 1jxf n ASN 34 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1jxf n LYS 35 N -0.32 -1.94 -3.12 3.52 2.85 -1.26 -4.39 118.16 113.50 1jxf n LYS 35 Ca -0.00 -1.54 -0.14 0.00 -1.05 0.00 0.00 58.31 55.58 1jxf n LYS 35 Cb 0.32 -1.23 0.05 0.00 -0.65 0.00 0.00 35.03 33.52 1jxf n LYS 35 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jxf n LEU 36 N 0.00 -2.81 -4.80 -5.58 7.99 -1.26 -4.75 117.00 105.80 1jxf n LEU 36 Ca 0.13 -0.31 -0.29 0.00 -0.01 0.00 0.00 56.01 55.53 1jxf n LEU 36 Cb 0.47 -1.95 0.11 0.00 -0.11 0.00 0.00 43.42 41.95 1jxf n LEU 36 CO 0.34 0.37 0.71 -0.44 -1.51 0.00 0.00 177.39 176.87 1jxf s SER 37 N -3.19 3.99 0.78 -1.43 0.01 -1.26 -4.59 113.70 108.01 1jxf s SER 37 Ca 0.33 1.12 -0.11 0.00 1.31 0.00 0.00 55.95 58.60 1jxf s SER 37 Cb -0.15 -1.77 0.06 0.00 0.21 0.00 0.00 66.02 64.37 1jxf s SER 37 CO 0.42 -2.27 1.09 -2.16 0.41 0.00 0.00 173.24 170.73 1jxf s PRO 38 N -5.22 2.22 -0.30 12.44 0.04 -1.26 -5.16 135.00 137.76 1jxf s PRO 38 Ca 0.62 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1jxf s PRO 38 Cb -0.15 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1jxf s PRO 38 CO 0.54 -1.54 0.10 -1.01 0.04 0.00 0.00 177.00 175.13 1jxf s HIS 39 N -3.14 1.35 0.56 0.56 3.76 -1.26 -4.92 115.29 112.20 1jxf s HIS 39 Ca 0.60 -1.49 0.09 0.00 -0.15 0.00 0.00 55.06 54.11 1jxf s HIS 39 Cb -0.14 -1.49 0.08 0.00 1.11 0.00 0.00 32.58 32.13 1jxf s HIS 39 CO 0.54 -0.85 0.74 -0.80 -0.85 0.00 0.00 174.74 173.52 1jxf s ASN 40 N 1.74 5.08 -0.29 1.40 -0.87 -1.26 -4.68 114.94 116.06 1jxf s ASN 40 Ca 0.09 -0.87 -0.04 0.00 -1.57 0.00 0.00 52.86 50.48 1jxf s ASN 40 Cb -0.17 0.26 0.10 0.00 -0.02 0.00 0.00 41.25 41.42 1jxf s ASN 40 CO -0.27 -1.29 0.13 -0.63 -2.57 0.00 0.00 177.10 172.47 1jxf s ILE 41 N -2.66 -0.01 -0.26 0.60 1.01 -1.26 -4.53 121.20 114.09 1jxf s ILE 41 Ca 0.59 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1jxf s ILE 41 Cb -0.06 -1.02 0.04 0.00 0.01 0.00 0.00 42.46 41.44 1jxf s ILE 41 CO 0.37 -0.73 -0.08 0.68 0.00 0.00 0.00 174.94 175.18 1jxf s VAL 42 N 2.06 2.57 -0.54 2.92 -7.23 -1.20 0.53 120.40 119.51 1jxf s VAL 42 Ca 0.09 -1.33 -0.23 0.00 -1.81 0.00 0.00 61.98 58.70 1jxf s VAL 42 Cb -0.16 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.42 1jxf s VAL 42 CO -0.36 0.07 0.89 -0.36 -0.31 0.00 0.00 175.10 175.03 1jxf s PHE 43 N 1.22 2.84 -0.60 2.82 0.08 -1.26 -2.92 117.98 120.16 1jxf s PHE 43 Ca -0.04 -0.08 -0.27 0.00 0.12 0.00 0.00 56.93 56.65 1jxf s PHE 43 Cb -0.18 -3.99 0.03 0.00 -0.57 0.00 0.00 43.02 38.31 1jxf s PHE 43 CO -0.05 -1.29 1.16 0.00 -0.10 0.00 0.00 175.22 174.94 1jxf s ALA 44 N 3.74 2.98 -0.99 5.36 0.00 -0.08 -4.70 121.76 128.07 1jxf s ALA 44 Ca 0.28 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 1jxf s ALA 44 Cb -0.13 -4.02 -0.25 0.00 0.00 0.00 0.00 23.12 18.71 1jxf s ALA 44 CO 0.18 -2.73 2.53 0.00 0.00 0.00 0.00 175.76 175.75 1jxf n ALA 45 N 8.42 0.55 -3.75 0.00 0.00 -1.26 -4.25 120.51 120.22 1jxf n ALA 45 Ca 0.06 -0.45 -0.28 0.00 0.00 0.00 0.00 53.44 52.77 1jxf n ALA 45 Cb 0.49 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.50 1jxf n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jxf n ASP 46 N 9.12 2.17 0.00 0.00 2.03 -1.26 -4.74 116.55 123.88 1jxf n ASP 46 Ca 0.66 -3.01 0.00 0.00 0.52 0.00 0.00 54.79 52.96 1jxf n ASP 46 Cb 0.07 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jxf n GLY 47 N 2.11 1.59 3.77 0.27 0.00 -1.26 -4.66 105.19 107.00 1jxf n GLY 47 Ca 0.23 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 -1.50 1.61 3.14 -1.26 -4.77 118.33 115.55 1jxf n VAL 48 Ca 0.00 -1.70 -0.29 0.00 -2.96 0.00 0.00 64.34 59.39 1jxf n VAL 48 Cb 0.00 -0.71 0.16 0.00 -1.06 0.00 0.00 33.84 32.23 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 -4.70 2.98 -0.03 6.55 1.01 -1.26 -4.88 116.67 116.34 1jxf s ASP 49 Ca 0.61 0.82 -0.01 0.00 0.71 0.00 0.00 52.55 54.68 1jxf s ASP 49 Cb -0.04 -1.27 -0.00 0.00 1.01 0.00 0.00 42.92 42.61 1jxf s ASP 49 CO 0.40 -2.87 -0.02 0.00 0.21 0.00 0.00 175.17 172.89 1jxf h ALA 50 N -1.72 0.00 -0.97 5.23 0.00 -1.96 -2.79 119.26 117.05 1jxf h ALA 50 Ca -0.49 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 54.56 1jxf h ALA 50 Cb 1.31 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 1jxf h ALA 50 CO 0.54 0.06 0.48 -0.44 0.00 0.00 0.00 179.25 179.89 1jxf h ASP 51 N -0.24 0.40 0.17 0.00 3.32 -1.98 1.63 116.42 119.73 1jxf h ASP 51 Ca 0.00 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1jxf h ASP 51 Cb 0.06 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1jxf h ASP 51 CO 0.00 -0.10 -0.08 0.74 -1.72 0.00 0.00 179.24 178.07 1jxf h THR 52 N 0.33 0.88 0.00 0.35 2.02 -1.98 -1.66 112.91 112.86 1jxf h THR 52 Ca 0.67 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.62 1jxf h THR 52 Cb 1.45 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1jxf h THR 52 CO -0.60 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.34 1jxf n ALA 53 N -2.25 1.76 0.08 6.16 0.00 0.11 -2.79 120.51 123.57 1jxf n ALA 53 Ca -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1jxf n ALA 53 Cb 0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 2.42 -0.86 -0.94 0.00 0.00 0.31 1.16 119.26 121.35 1jxf h ALA 54 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1jxf h ALA 54 Cb 0.36 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1jxf h ALA 54 CO 0.00 -0.84 0.60 -0.22 0.00 0.00 0.00 179.25 178.79 1jxf h LYS 55 N -0.24 0.83 -0.24 0.00 3.64 -1.53 0.33 116.57 119.36 1jxf h LYS 55 Ca -0.02 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1jxf h LYS 55 Cb 0.16 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1jxf h LYS 55 CO 0.03 0.55 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.46 1jxf h LEU 56 N 0.85 0.44 -9.28 5.20 4.07 -1.47 -3.42 115.31 111.70 1jxf h LEU 56 Ca 0.47 -0.14 -0.56 0.00 0.08 0.00 0.00 57.88 57.73 1jxf h LEU 56 Cb 0.58 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 1jxf h LEU 56 CO -0.23 0.68 0.51 -0.94 -1.08 0.00 0.00 178.44 177.38 1jxf s SER 57 N -6.81 7.24 0.71 -0.43 1.04 0.40 -4.72 113.70 111.12 1jxf s SER 57 Ca -0.07 1.52 0.02 0.00 0.48 0.00 0.00 55.95 57.91 1jxf s SER 57 Cb 0.14 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.84 1jxf s SER 57 CO 0.78 -0.40 0.97 -1.00 0.98 0.00 0.00 173.24 174.57 1jxf s HIS 58 N 1.82 1.26 0.00 5.02 3.76 0.19 -4.83 115.29 122.50 1jxf s HIS 58 Ca 0.48 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1jxf s HIS 58 Cb -0.19 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1jxf s HIS 58 CO 0.19 -1.69 0.00 1.63 -0.85 0.00 0.00 174.74 174.02 1jxf n LYS 59 N -2.74 0.00 -1.37 1.40 5.02 -1.26 -4.21 118.16 115.01 1jxf n LYS 59 Ca 0.17 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.95 1jxf n LYS 59 Cb 0.61 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.49 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 -1.43 -0.27 3.33 0.72 0.00 -1.26 -4.79 105.19 101.49 1jxf n GLY 60 Ca 0.00 1.12 -0.37 0.00 0.00 0.00 0.00 46.02 46.78 1jxf n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jxf n LEU 61 N 9.03 -1.53 -3.65 0.99 7.99 -1.26 -4.96 117.00 123.61 1jxf n LEU 61 Ca 0.59 0.51 -0.23 0.00 -0.01 0.00 0.00 56.01 56.87 1jxf n LEU 61 Cb 0.01 -1.05 -0.18 0.00 -0.11 0.00 0.00 43.42 42.10 1jxf n LEU 61 CO 0.90 -4.07 -0.34 0.00 -1.51 0.00 0.00 177.39 172.37 1jxf s ALA 62 N -1.98 0.34 -0.29 -1.18 0.00 -1.26 -5.02 121.76 112.36 1jxf s ALA 62 Ca 0.58 -0.03 0.13 0.00 0.00 0.00 0.00 51.96 52.64 1jxf s ALA 62 Cb -0.34 -0.79 0.47 0.00 0.00 0.00 0.00 23.12 22.46 1jxf s ALA 62 CO 0.65 -0.76 1.15 1.19 0.00 0.00 0.00 175.76 177.99 1jxf n PHE 63 N 5.28 2.25 -4.29 0.00 3.72 -1.26 -4.27 117.46 118.89 1jxf n PHE 63 Ca -0.05 -2.29 -0.18 0.00 -0.05 0.00 0.00 57.45 54.89 1jxf n PHE 63 Cb 0.50 -0.29 -0.14 0.00 -0.94 0.00 0.00 39.48 38.61 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jxf s ALA 64 N -3.64 0.78 -1.28 4.37 0.00 -1.26 -5.06 121.76 115.67 1jxf s ALA 64 Ca 0.42 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 1jxf s ALA 64 Cb 0.38 -0.14 0.16 0.00 0.00 0.00 0.00 23.12 23.53 1jxf s ALA 64 CO -0.00 0.15 2.06 0.00 0.00 0.00 0.00 175.76 177.96 1jxf n ALA 65 N 2.41 5.98 0.00 0.00 0.00 -1.26 -3.87 120.51 123.76 1jxf n ALA 65 Ca -0.16 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.02 1jxf n ALA 65 Cb 0.56 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.18 1jxf n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxf n GLY 66 N 2.17 0.00 2.66 0.00 0.00 -1.26 -5.07 105.19 103.69 1jxf n GLY 66 Ca 0.48 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 0.44 0.19 1.61 2.02 -1.25 -5.06 118.70 116.66 1jxf s GLU 67 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.50 1jxf s GLU 67 Cb 0.00 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.41 1jxf s GLU 67 CO 0.00 -0.82 0.22 -1.54 0.02 0.00 0.00 175.26 173.14 1jxf s SER 68 N 1.92 5.85 0.54 -0.19 1.04 -1.26 -4.12 113.70 117.48 1jxf s SER 68 Ca 0.04 -0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.49 1jxf s SER 68 Cb -0.17 -1.61 0.04 0.00 0.10 0.00 0.00 66.02 64.38 1jxf s SER 68 CO -0.20 0.02 0.49 -0.36 0.98 0.00 0.00 173.24 174.17 1jxf s PHE 69 N -1.87 1.66 0.01 5.02 0.08 -0.89 -4.88 117.98 117.10 1jxf s PHE 69 Ca 0.33 -0.79 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 1jxf s PHE 69 Cb -0.10 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1jxf s PHE 69 CO 0.26 -0.60 0.02 0.99 -0.10 0.00 0.00 175.22 175.79 1jxf s THR 70 N -2.73 0.08 -0.06 0.64 2.01 -1.26 -2.52 115.64 111.81 1jxf s THR 70 Ca 0.41 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1jxf s THR 70 Cb -0.03 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1jxf s THR 70 CO 0.26 -0.38 0.16 -0.55 -0.69 0.00 0.00 174.62 173.42 1jxf s SER 71 N -1.16 -0.16 -0.18 3.53 0.15 -0.59 -4.94 113.70 110.34 1jxf s SER 71 Ca -0.13 0.33 -0.19 0.00 0.70 0.00 0.00 55.95 56.66 1jxf s SER 71 Cb -0.08 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1jxf s SER 71 CO -0.00 -0.09 0.53 -0.89 1.20 0.00 0.00 173.24 173.99 1jxf s THR 72 N 0.45 5.10 -0.68 6.45 2.01 -1.26 -1.62 115.64 126.09 1jxf s THR 72 Ca -0.03 1.00 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1jxf s THR 72 Cb -0.04 -3.86 0.40 0.00 0.01 0.00 0.00 72.50 69.00 1jxf s THR 72 CO -0.02 0.19 1.77 0.49 -0.69 0.00 0.00 174.62 176.36 1jxf n PHE 73 N 4.65 3.11 -0.03 4.92 3.01 -0.30 -4.67 117.46 128.15 1jxf n PHE 73 Ca -0.04 -2.63 -0.13 0.00 1.01 0.00 0.00 57.45 55.65 1jxf n PHE 73 Cb 0.50 -0.94 -0.11 0.00 -0.01 0.00 0.00 39.48 38.92 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 1.92 1.49 -3.07 4.37 2.02 -1.82 0.28 112.91 118.10 1jxf h THR 74 Ca 0.51 -1.46 -0.57 0.00 0.77 0.00 0.00 66.41 65.66 1jxf h THR 74 Cb 0.51 2.49 -0.04 0.00 -1.74 0.00 0.00 68.15 69.36 1jxf h THR 74 CO 1.29 0.38 0.76 -0.70 0.37 0.00 0.00 175.52 177.62 1jxf s GLU 75 N -3.71 4.31 -0.30 6.66 2.56 -1.26 -4.21 118.70 122.74 1jxf s GLU 75 Ca -0.17 1.52 -0.29 0.00 0.00 0.00 0.00 54.97 56.03 1jxf s GLU 75 Cb 0.00 -3.64 -0.00 0.00 2.00 0.00 0.00 34.13 32.50 1jxf s GLU 75 CO 0.68 -0.55 1.35 -1.25 -0.56 0.00 0.00 175.26 174.93 1jxf s PRO 76 N 2.82 3.88 0.00 4.30 0.04 -1.26 -4.86 135.00 139.92 1jxf s PRO 76 Ca 0.50 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1jxf s PRO 76 Cb -0.20 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jxf s PRO 76 CO 0.14 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1jxf n GLY 77 N 4.40 3.22 2.69 0.56 0.00 -1.26 -4.99 105.19 109.82 1jxf n GLY 77 Ca 0.15 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.40 -0.24 -0.04 2.61 2.01 -1.26 -2.74 115.64 115.58 1jxf s THR 78 Ca 0.00 -0.97 -0.20 0.00 0.31 0.00 0.00 61.69 60.84 1jxf s THR 78 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1jxf s THR 78 CO 0.00 -0.64 0.57 -0.31 -0.69 0.00 0.00 174.62 173.55 1jxf s TYR 79 N 1.68 3.62 -0.27 4.92 1.51 -1.23 -4.14 117.35 123.44 1jxf s TYR 79 Ca 0.14 1.11 -0.01 0.00 -1.01 0.00 0.00 57.07 57.30 1jxf s TYR 79 Cb -0.16 -2.60 0.04 0.00 -0.11 0.00 0.00 41.96 39.12 1jxf s TYR 79 CO -0.14 0.28 -0.04 0.99 -1.11 0.00 0.00 175.55 175.53 1jxf s THR 80 N 0.11 2.84 -0.05 -0.71 2.01 -1.26 -0.28 115.64 118.31 1jxf s THR 80 Ca 0.30 -1.23 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1jxf s THR 80 Cb -0.17 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1jxf s THR 80 CO 0.15 0.06 -0.12 -0.72 -0.69 0.00 0.00 174.62 173.30 1jxf s TYR 81 N 1.27 2.78 0.34 4.92 1.13 -1.23 -0.90 117.35 125.66 1jxf s TYR 81 Ca -0.03 -0.10 0.06 0.00 -1.41 0.00 0.00 57.07 55.60 1jxf s TYR 81 Cb -0.18 -1.65 -0.02 0.00 -1.10 0.00 0.00 41.96 39.01 1jxf s TYR 81 CO -0.03 0.25 0.31 2.48 -2.51 0.00 0.00 175.55 176.05 1jxf n TYR 82 N 2.19 -0.89 -2.95 -3.49 0.18 -1.15 -1.18 117.16 109.87 1jxf n TYR 82 Ca -0.17 -2.76 -0.41 0.00 1.88 0.00 0.00 57.90 56.44 1jxf n TYR 82 Cb 0.52 0.33 -0.05 0.00 -0.38 0.00 0.00 39.34 39.77 1jxf n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jxf n GLU 84 N 5.89 -0.21 -0.02 0.00 2.13 -1.26 0.75 120.64 127.92 1jxf n GLU 84 Ca 0.04 1.46 -0.15 0.00 0.66 0.00 0.00 57.16 59.16 1jxf n GLU 84 Cb 0.48 -2.17 -0.11 0.00 0.27 0.00 0.00 31.44 29.92 1jxf n GLU 84 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1jxf h PRO 85 N 0.00 0.25 -2.34 5.31 0.13 -1.92 -3.32 132.00 130.10 1jxf h PRO 85 Ca 0.34 -0.24 -0.77 0.00 -0.87 0.00 0.00 66.00 64.46 1jxf h PRO 85 Cb 0.58 0.06 -0.22 0.00 0.13 0.00 0.00 31.00 31.55 1jxf h PRO 85 CO -0.94 0.94 1.46 0.72 -0.23 0.00 0.00 178.00 179.95 1jxf n HIS 86 N -4.45 2.69 -0.05 1.56 8.25 0.01 -4.63 115.22 118.60 1jxf n HIS 86 Ca -0.09 -2.61 -0.02 0.00 -0.26 0.00 0.00 57.72 54.74 1jxf n HIS 86 Cb 0.52 -1.41 -0.01 0.00 1.12 0.00 0.00 29.99 30.22 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 4.22 0.00 -2.12 -0.41 2.43 0.22 -3.20 114.38 115.52 1jxf h ARG 87 Ca 0.59 0.00 -0.78 0.00 -0.81 0.00 0.00 59.98 58.98 1jxf h ARG 87 Cb 0.31 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.59 1jxf h ARG 87 CO 1.28 0.00 1.00 0.41 -1.51 0.00 0.00 179.97 181.15 1jxf n GLY 88 N 1.73 5.84 0.65 2.80 0.00 -1.26 -4.32 105.19 110.63 1jxf n GLY 88 Ca -0.03 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.29 2.51 0.00 4.61 0.00 -1.26 -5.05 120.51 121.03 1jxf n ALA 89 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1jxf n ALA 89 Cb 0.25 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 2.76 0.36 3.55 0.00 0.00 -1.26 -5.09 105.19 105.51 1jxf n GLY 90 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jxf n GLY 90 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jxf s MET 91 N 0.00 3.04 0.21 1.61 1.00 -1.26 -4.92 119.30 118.98 1jxf s MET 91 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 55.69 55.58 1jxf s MET 91 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 34.83 30.50 1jxf s MET 91 CO 0.00 -2.34 0.29 0.08 0.00 0.00 0.00 175.02 173.05 1jxf s VAL 92 N 6.73 0.01 0.14 -6.03 1.01 -1.26 -3.58 120.40 117.42 1jxf s VAL 92 Ca 0.45 -1.67 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1jxf s VAL 92 Cb -0.09 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1jxf s VAL 92 CO 0.15 -0.06 0.14 -0.83 0.00 0.00 0.00 175.10 174.50 1jxf s GLY 93 N -3.07 0.82 -0.18 4.51 0.00 -0.32 -4.60 107.32 104.48 1jxf s GLY 93 Ca 0.28 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.70 1jxf s GLY 93 CO 0.09 -1.17 0.20 1.25 0.00 0.00 0.00 173.10 173.46 1jxf s LYS 94 N -4.02 0.15 0.32 2.90 2.20 0.11 -3.50 119.74 117.90 1jxf s LYS 94 Ca 0.22 0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 56.03 1jxf s LYS 94 Cb 0.06 -1.08 -0.05 0.00 -1.51 0.00 0.00 37.83 35.25 1jxf s LYS 94 CO 0.01 -0.59 0.60 0.08 -0.36 0.00 0.00 175.35 175.09 1jxf s VAL 95 N 2.30 4.98 -0.21 4.02 1.01 0.62 -2.86 120.40 130.26 1jxf s VAL 95 Ca 0.05 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1jxf s VAL 95 Cb -0.15 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.59 1jxf s VAL 95 CO -0.11 -0.38 0.22 -0.69 0.00 0.00 0.00 175.10 174.15 1jxf s VAL 96 N -2.16 -0.31 -0.09 2.92 1.01 -0.58 -3.52 120.40 117.67 1jxf s VAL 96 Ca 0.45 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1jxf s VAL 96 Cb -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1jxf s VAL 96 CO 0.31 -0.26 0.25 -0.69 0.00 0.00 0.00 175.10 174.71 1jxf s VAL 97 N 2.31 5.31 0.00 2.92 1.01 -1.11 -2.70 120.40 128.15 1jxf s VAL 97 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1jxf s VAL 97 Cb -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1jxf s VAL 97 CO -0.15 0.56 0.32 0.47 0.00 0.00 0.00 175.10 176.30