#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 2.56 0.33 0.00 2.20 -1.26 -5.01 114.94 113.76 1jxf s ASN 2 Ca 0.00 0.55 -0.26 0.00 -0.94 0.00 0.00 52.86 52.21 1jxf s ASN 2 Cb 0.00 -0.78 -0.10 0.00 -2.00 0.00 0.00 41.25 38.37 1jxf s ASN 2 CO 0.00 -3.10 0.99 0.00 -2.94 0.00 0.00 177.10 172.05 1jxf s ALA 3 N -3.47 3.20 -0.06 3.54 0.00 -1.13 -4.96 121.76 118.89 1jxf s ALA 3 Ca 0.70 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 1jxf s ALA 3 Cb -0.08 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1jxf s ALA 3 CO 0.54 0.03 -0.00 0.99 0.00 0.00 0.00 175.76 177.32 1jxf s THR 4 N -1.56 0.33 -0.13 0.00 2.01 -1.26 -1.64 115.64 113.39 1jxf s THR 4 Ca 0.51 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 1jxf s THR 4 Cb -0.21 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1jxf s THR 4 CO 0.27 0.22 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.72 1jxf s VAL 5 N 1.59 4.11 -0.25 3.82 1.01 -0.06 -4.65 120.40 125.97 1jxf s VAL 5 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1jxf s VAL 5 Cb -0.13 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1jxf s VAL 5 CO -0.03 0.53 -0.04 -1.59 0.00 0.00 0.00 175.10 173.97 1jxf s LYS 6 N -0.09 2.88 -0.73 2.72 -2.85 -1.01 -1.63 119.74 119.03 1jxf s LYS 6 Ca 0.03 -0.95 -0.27 0.00 -1.00 0.00 0.00 55.97 53.78 1jxf s LYS 6 Cb -0.13 -3.04 0.02 0.00 -2.06 0.00 0.00 37.83 32.62 1jxf s LYS 6 CO 0.02 -0.40 1.41 0.00 0.10 0.00 0.00 175.35 176.47 1jxf s MET 7 N 1.35 3.09 0.00 1.78 0.23 -1.09 -4.01 119.30 120.64 1jxf s MET 7 Ca 0.01 -0.10 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 1jxf s MET 7 Cb -0.17 -4.27 0.00 0.00 -1.53 0.00 0.00 34.83 28.87 1jxf s MET 7 CO -0.03 -2.28 0.00 0.41 -2.03 0.00 0.00 175.02 171.09 1jxf n GLY 8 N 5.50 0.51 3.36 3.16 0.00 -1.17 -3.68 105.19 112.87 1jxf n GLY 8 Ca 0.08 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1jxf n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jxf n SER 9 N 0.00 -2.22 -3.24 1.61 7.64 -0.67 -4.34 113.62 112.41 1jxf n SER 9 Ca 0.00 0.78 -0.29 0.00 1.01 0.00 0.00 58.87 60.37 1jxf n SER 9 Cb 0.00 -0.99 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 1jxf n SER 9 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jxf n ASP 10 N 1.73 6.20 0.00 6.43 9.92 -1.26 -3.62 116.55 135.94 1jxf n ASP 10 Ca 0.10 -2.42 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 1jxf n ASP 10 Cb 0.43 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 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 4.09 0.00 0.00 -2.24 7.64 -1.26 -5.07 113.62 116.78 1jxf n SER 11 Ca 0.57 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1jxf n SER 11 Cb 0.17 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.14 0.00 2.93 0.23 0.00 -1.24 -5.10 105.19 102.16 1jxf n GLY 12 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.37 -0.72 4.61 0.00 -1.26 -5.06 121.76 118.96 1jxf s ALA 13 Ca 0.00 0.76 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 1jxf s ALA 13 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1jxf s ALA 13 CO 0.00 -0.54 1.44 -0.48 0.00 0.00 0.00 175.76 176.17 1jxf s LEU 14 N 2.19 3.20 -0.03 0.00 0.05 -1.26 -1.66 118.68 121.18 1jxf s LEU 14 Ca 0.01 -0.29 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 1jxf s LEU 14 Cb -0.12 -2.55 0.02 0.00 -2.05 0.00 0.00 46.19 41.49 1jxf s LEU 14 CO -0.07 -1.97 0.06 0.68 -0.55 0.00 0.00 176.35 174.50 1jxf s VAL 15 N 6.59 -0.03 -0.50 1.48 -7.23 -1.26 -4.91 120.40 114.54 1jxf s VAL 15 Ca 0.44 0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 1jxf s VAL 15 Cb -0.09 -0.11 0.02 0.00 0.56 0.00 0.00 36.38 36.77 1jxf s VAL 15 CO 0.15 0.04 1.27 -0.36 -0.31 0.00 0.00 175.10 175.90 1jxf s PHE 16 N 0.57 2.57 -0.02 2.82 0.08 -1.26 -3.03 117.98 119.71 1jxf s PHE 16 Ca -0.05 0.60 0.01 0.00 0.12 0.00 0.00 56.93 57.62 1jxf s PHE 16 Cb -0.06 -4.42 0.01 0.00 -0.57 0.00 0.00 43.02 37.98 1jxf s PHE 16 CO -0.02 -1.65 -0.03 -1.21 -0.10 0.00 0.00 175.22 172.21 1jxf s GLU 17 N 4.87 0.39 0.13 0.44 8.01 -1.26 -1.45 118.70 129.83 1jxf s GLU 17 Ca 0.51 -0.06 -0.30 0.00 0.01 0.00 0.00 54.97 55.13 1jxf s GLU 17 Cb -0.09 -0.45 -0.07 0.00 -4.31 0.00 0.00 34.13 29.21 1jxf s GLU 17 CO 0.30 -0.02 1.14 -1.25 0.01 0.00 0.00 175.26 175.44 1jxf s PRO 18 N 0.45 4.52 0.40 0.39 0.04 -1.26 -2.40 135.00 137.14 1jxf s PRO 18 Ca -0.05 1.74 0.19 0.00 0.04 0.00 0.00 61.00 62.92 1jxf s PRO 18 Cb -0.08 -3.31 1.12 0.00 0.04 0.00 0.00 34.50 32.27 1jxf s PRO 18 CO -0.01 -0.07 1.78 0.66 0.04 0.00 0.00 177.00 179.40 1jxf h SER 19 N 5.82 0.43 -3.35 6.66 4.64 -1.58 -3.34 113.55 122.82 1jxf h SER 19 Ca -0.43 0.08 -0.55 0.00 -0.47 0.00 0.00 61.79 60.42 1jxf h SER 19 Cb 1.21 0.01 -0.38 0.00 -0.31 0.00 0.00 62.40 62.93 1jxf h SER 19 CO 0.76 0.09 -0.79 -0.89 -0.87 0.00 0.00 176.83 175.13 1jxf s THR 20 N -5.47 1.05 -0.15 2.95 2.01 -1.26 -1.58 115.64 113.20 1jxf s THR 20 Ca -0.09 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1jxf s THR 20 Cb 0.25 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1jxf s THR 20 CO 0.80 0.06 -0.08 0.68 -0.69 0.00 0.00 174.62 175.38 1jxf s VAL 21 N 1.65 3.44 -0.30 3.82 -7.23 -1.15 -5.05 120.40 115.58 1jxf s VAL 21 Ca -0.00 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1jxf s VAL 21 Cb -0.16 -2.48 0.09 0.00 0.56 0.00 0.00 36.38 34.39 1jxf s VAL 21 CO -0.07 0.51 0.03 -0.89 -0.31 0.00 0.00 175.10 174.36 1jxf s THR 22 N 0.41 1.62 0.57 5.32 2.01 -1.26 -2.70 115.64 121.61 1jxf s THR 22 Ca -0.07 -1.72 0.06 0.00 0.31 0.00 0.00 61.69 60.27 1jxf s THR 22 Cb -0.15 -2.11 0.06 0.00 0.01 0.00 0.00 72.50 70.31 1jxf s THR 22 CO 0.04 -0.47 0.50 2.30 -0.69 0.00 0.00 174.62 176.30 1jxf n ILE 23 N 4.56 0.00 -1.97 1.82 -5.35 -1.23 -5.02 119.36 112.17 1jxf n ILE 23 Ca -0.03 -2.17 -0.29 0.00 -0.27 0.00 0.00 62.75 59.99 1jxf n ILE 23 Cb 0.43 -0.11 0.18 0.00 -1.74 0.00 0.00 39.64 38.39 1jxf n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1jxf s LYS 24 N -4.37 0.76 -0.80 6.28 -0.14 -1.26 -2.54 119.74 117.66 1jxf s LYS 24 Ca 0.38 -0.43 -0.18 0.00 -1.36 0.00 0.00 55.97 54.37 1jxf s LYS 24 Cb -0.03 -1.88 0.13 0.00 -1.68 0.00 0.00 37.83 34.37 1jxf s LYS 24 CO 0.24 -2.33 0.95 0.00 -0.76 0.00 0.00 175.35 173.45 1jxf s ALA 25 N -3.84 3.47 0.00 5.17 0.00 -1.26 -3.54 121.76 121.76 1jxf s ALA 25 Ca 0.73 -2.62 0.00 0.00 0.00 0.00 0.00 51.96 50.07 1jxf s ALA 25 Cb -0.04 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1jxf s ALA 25 CO 0.52 -2.69 0.00 0.41 0.00 0.00 0.00 175.76 174.00 1jxf n GLY 26 N 5.17 0.67 3.77 0.00 0.00 -0.22 -4.82 105.19 109.75 1jxf n GLY 26 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.37 0.40 1.61 2.12 -1.23 -4.71 118.70 116.53 1jxf s GLU 27 Ca 0.00 -0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.08 1jxf s GLU 27 Cb 0.00 -1.72 -0.06 0.00 0.26 0.00 0.00 34.13 32.61 1jxf s GLU 27 CO 0.00 -3.10 0.03 -1.21 -0.54 0.00 0.00 175.26 170.44 1jxf s GLU 28 N -5.70 1.92 -0.06 4.30 8.01 -1.26 -2.53 118.70 123.37 1jxf s GLU 28 Ca 0.73 -2.11 -0.02 0.00 0.01 0.00 0.00 54.97 53.57 1jxf s GLU 28 Cb -0.06 -1.33 0.04 0.00 -4.31 0.00 0.00 34.13 28.47 1jxf s GLU 28 CO 0.54 -0.18 0.11 0.08 0.01 0.00 0.00 175.26 175.83 1jxf s VAL 29 N -2.94 -0.16 -0.01 2.63 1.01 -0.94 -2.82 120.40 117.18 1jxf s VAL 29 Ca 0.29 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1jxf s VAL 29 Cb 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 1jxf s VAL 29 CO 0.14 0.15 0.00 -0.75 0.00 0.00 0.00 175.10 174.65 1jxf s LYS 30 N 2.04 2.81 0.08 2.72 2.20 -0.65 -1.10 119.74 127.83 1jxf s LYS 30 Ca 0.02 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.09 1jxf s LYS 30 Cb -0.12 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.48 1jxf s LYS 30 CO -0.04 0.63 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.92 1jxf s TRP 31 N -1.08 2.82 -0.06 4.03 0.51 -0.73 -0.88 118.94 123.56 1jxf s TRP 31 Ca 0.19 -0.11 -0.00 0.00 -2.12 0.00 0.00 56.10 54.06 1jxf s TRP 31 Cb -0.12 -1.49 0.03 0.00 -0.81 0.00 0.00 33.47 31.08 1jxf s TRP 31 CO 0.10 0.42 -0.01 0.08 -0.51 0.00 0.00 176.95 177.03 1jxf s VAL 32 N -1.19 0.37 0.33 4.03 1.01 -0.65 -3.28 120.40 121.02 1jxf s VAL 32 Ca 0.21 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 1jxf s VAL 32 Cb -0.11 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.69 1jxf s VAL 32 CO 0.13 0.23 0.99 0.21 0.00 0.00 0.00 175.10 176.66 1jxf s ASN 33 N 1.56 7.22 0.00 3.32 2.47 -1.25 -2.68 114.94 125.58 1jxf s ASN 33 Ca -0.02 1.95 0.00 0.00 0.42 0.00 0.00 52.86 55.21 1jxf s ASN 33 Cb -0.13 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1jxf s ASN 33 CO -0.03 -0.15 0.00 0.59 -3.72 0.00 0.00 177.10 173.78 1jxf n ASN 34 N 0.58 0.00 -3.10 -4.21 3.02 -1.24 -4.67 115.26 105.64 1jxf n ASN 34 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 1jxf n ASN 34 Cb 0.49 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jxf n LYS 35 N -0.33 0.45 -3.02 3.52 5.02 -1.26 -4.92 118.16 117.62 1jxf n LYS 35 Ca 0.00 -3.10 -0.13 0.00 -2.02 0.00 0.00 58.31 53.07 1jxf n LYS 35 Cb 0.00 2.62 0.05 0.00 -0.02 0.00 0.00 35.03 37.69 1jxf n LYS 35 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jxf n LEU 36 N 0.00 -3.04 -4.91 -0.35 7.99 -1.26 -4.60 117.00 110.82 1jxf n LEU 36 Ca 0.06 -0.35 -0.27 0.00 -0.01 0.00 0.00 56.01 55.44 1jxf n LEU 36 Cb 0.58 -2.07 0.03 0.00 -0.11 0.00 0.00 43.42 41.85 1jxf n LEU 36 CO 0.30 0.32 0.57 -0.44 -1.51 0.00 0.00 177.39 176.62 1jxf s SER 37 N -3.50 5.56 0.72 -1.43 0.01 -1.26 -4.44 113.70 109.35 1jxf s SER 37 Ca 0.18 0.77 -0.11 0.00 1.31 0.00 0.00 55.95 58.11 1jxf s SER 37 Cb -0.08 -1.73 0.02 0.00 0.21 0.00 0.00 66.02 64.44 1jxf s SER 37 CO 0.44 -1.11 1.07 -2.16 0.41 0.00 0.00 173.24 171.89 1jxf s PRO 38 N -5.05 2.77 -0.30 12.44 0.04 -1.26 -5.11 135.00 138.53 1jxf s PRO 38 Ca 0.55 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1jxf s PRO 38 Cb -0.11 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1jxf s PRO 38 CO 0.46 -1.20 0.12 -1.01 0.04 0.00 0.00 177.00 175.41 1jxf s HIS 39 N -3.07 0.86 0.51 0.56 3.76 -1.26 -4.96 115.29 111.70 1jxf s HIS 39 Ca 0.59 -1.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.31 1jxf s HIS 39 Cb -0.14 -1.22 0.03 0.00 1.11 0.00 0.00 32.58 32.36 1jxf s HIS 39 CO 0.55 -0.85 0.71 -0.80 -0.85 0.00 0.00 174.74 173.51 1jxf s ASN 40 N 1.91 5.38 -0.29 1.40 -0.87 -1.26 -4.60 114.94 116.61 1jxf s ASN 40 Ca 0.09 -0.14 -0.03 0.00 -1.57 0.00 0.00 52.86 51.21 1jxf s ASN 40 Cb -0.16 -0.80 0.10 0.00 -0.02 0.00 0.00 41.25 40.37 1jxf s ASN 40 CO -0.32 -1.04 0.13 -0.63 -2.57 0.00 0.00 177.10 172.67 1jxf s ILE 41 N -2.64 0.09 -0.23 0.60 1.01 -1.24 -4.35 121.20 114.44 1jxf s ILE 41 Ca 0.57 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 1jxf s ILE 41 Cb -0.10 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1jxf s ILE 41 CO 0.37 -0.73 -0.06 0.68 0.00 0.00 0.00 174.94 175.20 1jxf s VAL 42 N 2.00 3.02 -0.59 2.92 -7.23 -1.14 0.26 120.40 119.65 1jxf s VAL 42 Ca 0.09 -0.82 -0.22 0.00 -1.81 0.00 0.00 61.98 59.23 1jxf s VAL 42 Cb -0.16 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.38 1jxf s VAL 42 CO -0.34 0.30 0.85 -0.36 -0.31 0.00 0.00 175.10 175.24 1jxf s PHE 43 N 1.38 2.83 -0.23 2.82 0.08 -1.26 -2.41 117.98 121.19 1jxf s PHE 43 Ca 0.03 -0.45 -0.28 0.00 0.12 0.00 0.00 56.93 56.35 1jxf s PHE 43 Cb -0.15 -4.03 0.01 0.00 -0.57 0.00 0.00 43.02 38.27 1jxf s PHE 43 CO -0.05 -1.39 1.00 0.00 -0.10 0.00 0.00 175.22 174.69 1jxf s ALA 44 N 3.55 3.67 -0.91 5.36 0.00 0.07 -4.66 121.76 128.85 1jxf s ALA 44 Ca 0.22 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 1jxf s ALA 44 Cb -0.17 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.22 1jxf s ALA 44 CO 0.13 -1.01 2.45 0.00 0.00 0.00 0.00 175.76 177.33 1jxf n ALA 45 N 6.21 0.64 -3.51 0.00 0.00 -1.26 -3.91 120.51 118.68 1jxf n ALA 45 Ca 0.11 -0.67 -0.27 0.00 0.00 0.00 0.00 53.44 52.61 1jxf n ALA 45 Cb 0.46 -2.56 -0.09 0.00 0.00 0.00 0.00 19.45 17.27 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 10.52 3.09 0.00 0.00 -0.08 -1.25 -4.73 116.55 124.11 1jxf n ASP 46 Ca 0.61 -3.28 0.00 0.00 -1.51 0.00 0.00 54.79 50.61 1jxf n ASP 46 Cb 0.18 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 42.96 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jxf n GLY 47 N 1.24 1.22 3.93 0.27 0.00 -1.25 -4.46 105.19 106.14 1jxf n GLY 47 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.04 0.00 -1.55 1.61 3.14 -1.16 -4.55 118.33 115.79 1jxf n VAL 48 Ca 0.00 -1.94 -0.29 0.00 -2.96 0.00 0.00 64.34 59.15 1jxf n VAL 48 Cb 0.00 -0.52 0.11 0.00 -1.06 0.00 0.00 33.84 32.37 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 -4.63 3.96 -0.02 6.55 1.01 -1.26 -4.83 116.67 117.46 1jxf s ASP 49 Ca 0.61 1.12 -0.02 0.00 0.71 0.00 0.00 52.55 54.97 1jxf s ASP 49 Cb -0.05 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 42.10 1jxf s ASP 49 CO 0.39 -2.28 0.24 0.00 0.21 0.00 0.00 175.17 173.73 1jxf h ALA 50 N -1.31 -0.23 -0.90 5.23 0.00 -1.97 -2.53 119.26 117.56 1jxf h ALA 50 Ca -0.49 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.65 1jxf h ALA 50 Cb 1.30 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 1jxf h ALA 50 CO 0.61 -0.22 0.29 -0.44 0.00 0.00 0.00 179.25 179.48 1jxf h ASP 51 N -0.26 0.09 -0.90 0.00 3.32 -1.97 1.79 116.42 118.49 1jxf h ASP 51 Ca -0.01 0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.28 1jxf h ASP 51 Cb 0.05 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1jxf h ASP 51 CO 0.01 -0.15 0.59 0.74 -1.72 0.00 0.00 179.24 178.71 1jxf h THR 52 N 0.23 1.12 0.00 0.35 2.02 -1.97 0.81 112.91 115.48 1jxf h THR 52 Ca 0.58 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1jxf h THR 52 Cb 1.20 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1jxf h THR 52 CO -0.64 0.20 -0.44 0.00 0.37 0.00 0.00 175.52 175.00 1jxf n ALA 53 N -2.40 2.77 -0.03 6.16 0.00 0.41 -2.76 120.51 124.65 1jxf n ALA 53 Ca 0.13 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1jxf n ALA 53 Cb 0.14 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 2.55 0.80 0.22 0.00 0.00 0.45 0.57 119.26 123.86 1jxf h ALA 54 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.13 1jxf h ALA 54 Cb 0.73 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jxf h ALA 54 CO 0.00 0.65 -1.60 -0.22 0.00 0.00 0.00 179.25 178.08 1jxf h LYS 55 N 0.53 0.47 0.00 0.00 1.63 -1.42 -3.27 116.57 114.52 1jxf h LYS 55 Ca 0.05 -0.80 -0.06 0.00 -0.85 0.00 0.00 60.65 58.99 1jxf h LYS 55 Cb 0.90 0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1jxf h LYS 55 CO 0.08 1.38 -0.29 -0.07 -3.45 0.00 0.00 179.45 177.10 1jxf h LEU 56 N 0.11 0.00-10.23 5.20 4.07 -1.47 -3.44 115.31 109.55 1jxf h LEU 56 Ca -0.30 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.17 1jxf h LEU 56 Cb 2.12 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.92 1jxf h LEU 56 CO 0.22 0.29 0.38 -0.44 -1.08 0.00 0.00 178.44 177.82 1jxf s SER 57 N -6.49 5.86 -0.30 -0.43 0.01 0.20 -4.70 113.70 107.86 1jxf s SER 57 Ca -0.02 1.72 -0.01 0.00 1.31 0.00 0.00 55.95 58.96 1jxf s SER 57 Cb 0.12 -2.52 0.10 0.00 0.21 0.00 0.00 66.02 63.93 1jxf s SER 57 CO 0.67 -1.11 0.09 -1.00 0.41 0.00 0.00 173.24 172.30 1jxf s HIS 58 N -2.62 1.69 -0.71 2.43 3.76 0.14 -4.88 115.29 115.10 1jxf s HIS 58 Ca 0.61 -1.70 -0.02 0.00 -0.15 0.00 0.00 55.06 53.81 1jxf s HIS 58 Cb -0.14 -1.68 0.37 0.00 1.11 0.00 0.00 32.58 32.23 1jxf s HIS 58 CO 0.40 -0.86 2.08 1.63 -0.85 0.00 0.00 174.74 177.14 1jxf n LYS 59 N 4.85 2.65 0.00 1.40 5.02 -1.26 -3.67 118.16 127.15 1jxf n LYS 59 Ca -0.03 -3.23 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 1jxf n LYS 59 Cb 0.42 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 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 -0.58 1.95 3.26 0.72 0.00 -1.26 -5.13 105.19 104.14 1jxf n GLY 60 Ca 0.56 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 2.52 0.05 0.99 2.01 -1.26 -4.96 118.68 118.03 1jxf s LEU 61 Ca 0.00 -0.98 0.02 0.00 0.01 0.00 0.00 54.13 53.18 1jxf s LEU 61 Cb 0.00 -0.42 -0.03 0.00 0.01 0.00 0.00 46.19 45.76 1jxf s LEU 61 CO 0.00 -0.28 -0.08 0.00 1.01 0.00 0.00 176.35 177.00 1jxf s ALA 62 N -3.11 0.67 0.00 4.21 0.00 -1.26 -4.96 121.76 117.30 1jxf s ALA 62 Ca 0.16 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1jxf s ALA 62 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1jxf s ALA 62 CO 0.02 -0.05 0.00 1.19 0.00 0.00 0.00 175.76 176.92 1jxf n PHE 63 N 1.19 0.00 -2.36 0.00 3.01 -1.26 -4.53 117.46 113.51 1jxf n PHE 63 Ca -0.21 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.84 1jxf n PHE 63 Cb 0.56 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.00 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 0.00 2.80 0.28 4.37 0.00 -1.26 -4.96 121.76 123.00 1jxf s ALA 64 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 1jxf s ALA 64 Cb 0.00 -4.09 -0.12 0.00 0.00 0.00 0.00 23.12 18.90 1jxf s ALA 64 CO 0.00 -2.91 1.51 0.00 0.00 0.00 0.00 175.76 174.36 1jxf n ALA 65 N 9.67 1.96 0.00 0.00 0.00 -1.26 -2.83 120.51 128.06 1jxf n ALA 65 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1jxf n ALA 65 Cb 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 2.07 1.91 3.72 0.00 0.00 -1.26 -5.09 105.19 106.54 1jxf n GLY 66 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.57 -0.02 1.61 0.41 -1.13 -4.99 118.70 119.14 1jxf s GLU 67 Ca 0.00 1.56 0.01 0.00 -0.41 0.00 0.00 54.97 56.13 1jxf s GLU 67 Cb 0.00 -3.39 0.01 0.00 -1.78 0.00 0.00 34.13 28.98 1jxf s GLU 67 CO 0.00 -0.02 -0.03 -1.54 -0.49 0.00 0.00 175.26 173.18 1jxf s SER 68 N 0.62 0.61 0.56 -0.19 1.04 -1.26 -3.79 113.70 111.30 1jxf s SER 68 Ca 0.52 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.91 1jxf s SER 68 Cb -0.25 -0.22 0.05 0.00 0.10 0.00 0.00 66.02 65.71 1jxf s SER 68 CO 0.30 -0.02 0.78 -0.36 0.98 0.00 0.00 173.24 174.91 1jxf s PHE 69 N 0.50 2.41 0.08 5.02 0.08 -1.21 -4.82 117.98 120.04 1jxf s PHE 69 Ca -0.06 -0.24 0.04 0.00 0.12 0.00 0.00 56.93 56.79 1jxf s PHE 69 Cb -0.09 -2.65 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 1jxf s PHE 69 CO -0.01 -0.98 -0.11 0.99 -0.10 0.00 0.00 175.22 175.02 1jxf s THR 70 N -2.73 0.88 0.00 0.64 2.01 -1.26 -1.77 115.64 113.41 1jxf s THR 70 Ca 0.59 -1.42 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1jxf s THR 70 Cb -0.09 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 1jxf s THR 70 CO 0.38 -0.43 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.32 1jxf s SER 71 N -2.06 0.06 -0.12 3.53 0.15 -0.26 -4.87 113.70 110.13 1jxf s SER 71 Ca -0.00 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.41 1jxf s SER 71 Cb -0.06 0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.22 1jxf s SER 71 CO 0.01 -0.05 0.33 -0.89 1.20 0.00 0.00 173.24 173.83 1jxf s THR 72 N -0.27 5.25 -0.23 6.45 2.01 -1.26 -2.20 115.64 125.38 1jxf s THR 72 Ca -0.03 0.64 0.12 0.00 0.31 0.00 0.00 61.69 62.72 1jxf s THR 72 Cb -0.02 -3.66 0.45 0.00 0.01 0.00 0.00 72.50 69.28 1jxf s THR 72 CO -0.00 0.43 1.19 0.49 -0.69 0.00 0.00 174.62 176.04 1jxf n PHE 73 N 3.13 1.28 0.00 4.92 3.01 -1.05 -4.87 117.46 123.89 1jxf n PHE 73 Ca -0.12 -1.78 0.00 0.00 1.01 0.00 0.00 57.45 56.56 1jxf n PHE 73 Cb 0.52 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 1jxf n PHE 73 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jxf n THR 74 N -0.76 0.00 -2.36 4.37 -2.24 -1.26 -1.06 114.28 110.97 1jxf n THR 74 Ca 0.27 1.41 -0.41 0.00 -2.27 0.00 0.00 64.05 63.06 1jxf n THR 74 Cb 0.86 -2.41 -0.04 0.00 -2.10 0.00 0.00 70.33 66.65 1jxf n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jxf s GLU 75 N -2.72 4.52 -0.29 -0.78 2.12 -1.26 -3.67 118.70 116.62 1jxf s GLU 75 Ca 0.00 1.92 -0.29 0.00 0.36 0.00 0.00 54.97 56.96 1jxf s GLU 75 Cb 0.00 -3.19 -0.00 0.00 0.26 0.00 0.00 34.13 31.20 1jxf s GLU 75 CO 0.00 0.00 1.35 -1.25 -0.54 0.00 0.00 175.26 174.82 1jxf s PRO 76 N -0.97 3.89 0.00 4.30 0.04 -1.26 -4.88 135.00 136.11 1jxf s PRO 76 Ca 0.49 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1jxf s PRO 76 Cb -0.34 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1jxf s PRO 76 CO 0.41 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.70 1jxf n GLY 77 N 4.39 3.36 2.83 0.56 0.00 -1.26 -4.98 105.19 110.09 1jxf n GLY 77 Ca 0.15 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.36 1.24 -0.17 2.61 2.01 -1.26 -2.63 115.64 115.07 1jxf s THR 78 Ca 0.00 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 60.43 1jxf s THR 78 Cb 0.00 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1jxf s THR 78 CO 0.00 -0.53 0.10 -0.31 -0.69 0.00 0.00 174.62 173.19 1jxf s TYR 79 N 1.46 3.37 -0.27 4.92 2.02 -1.11 -2.98 117.35 124.76 1jxf s TYR 79 Ca 0.07 0.26 0.02 0.00 -0.37 0.00 0.00 57.07 57.05 1jxf s TYR 79 Cb -0.18 -2.06 0.07 0.00 -0.40 0.00 0.00 41.96 39.39 1jxf s TYR 79 CO -0.17 0.33 -0.06 0.99 -1.57 0.00 0.00 175.55 175.08 1jxf s THR 80 N 0.02 1.93 -0.02 -0.71 2.01 -1.25 -0.38 115.64 117.24 1jxf s THR 80 Ca 0.08 -1.62 0.01 0.00 0.31 0.00 0.00 61.69 60.47 1jxf s THR 80 Cb -0.12 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1jxf s THR 80 CO 0.00 -0.18 -0.00 -0.72 -0.69 0.00 0.00 174.62 173.03 1jxf s TYR 81 N 1.18 3.08 0.28 4.92 1.13 -0.79 -0.75 117.35 126.40 1jxf s TYR 81 Ca -0.04 0.09 -0.01 0.00 -1.41 0.00 0.00 57.07 55.71 1jxf s TYR 81 Cb -0.19 -1.69 -0.02 0.00 -1.10 0.00 0.00 41.96 38.95 1jxf s TYR 81 CO -0.07 0.45 0.31 1.52 -2.51 0.00 0.00 175.55 175.26 1jxf s TYR 82 N -1.03 1.21 -0.17 -3.49 -0.85 -1.01 -1.21 117.35 110.79 1jxf s TYR 82 Ca 0.18 -1.35 -0.29 0.00 -0.52 0.00 0.00 57.07 55.08 1jxf s TYR 82 Cb -0.11 -0.38 -0.00 0.00 0.38 0.00 0.00 41.96 41.84 1jxf s TYR 82 CO 0.08 -0.89 1.09 0.00 -1.52 0.00 0.00 175.55 174.32 1jxf h GLU 84 N 7.52 -0.11 -0.00 0.00 4.81 -1.94 1.29 114.58 126.14 1jxf h GLU 84 Ca -0.24 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1jxf h GLU 84 Cb 1.10 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1jxf h GLU 84 CO 0.94 -0.07 -0.06 -1.00 -0.73 0.00 0.00 179.01 178.10 1jxf h PRO 85 N -0.11 0.04 -1.81 0.92 0.13 -1.92 -3.28 132.00 125.97 1jxf h PRO 85 Ca 0.24 -0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.80 1jxf h PRO 85 Cb 0.49 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 31.44 1jxf h PRO 85 CO -0.61 0.78 0.56 0.72 -0.23 0.00 0.00 178.00 179.22 1jxf n HIS 86 N -4.68 1.98 -0.16 1.56 8.25 -0.96 -4.59 115.22 116.61 1jxf n HIS 86 Ca -0.09 -2.12 -0.07 0.00 -0.26 0.00 0.00 57.72 55.18 1jxf n HIS 86 Cb 0.39 -1.27 0.02 0.00 1.12 0.00 0.00 29.99 30.25 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 2.60 0.62 -1.96 -0.41 2.43 0.16 -3.11 114.38 114.70 1jxf h ARG 87 Ca 0.42 -0.04 -0.63 0.00 -0.81 0.00 0.00 59.98 58.93 1jxf h ARG 87 Cb 0.65 -0.14 -0.39 0.00 -0.42 0.00 0.00 29.97 29.66 1jxf h ARG 87 CO 1.02 0.41 -0.36 0.41 -1.51 0.00 0.00 179.97 179.94 1jxf n GLY 88 N -1.23 5.81 2.55 2.80 0.00 -1.26 -4.70 105.19 109.16 1jxf n GLY 88 Ca 0.02 -2.73 -0.22 0.00 0.00 0.00 0.00 46.02 43.09 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 -0.35 3.38 -3.31 4.61 0.00 -1.18 -4.91 120.51 118.75 1jxf n ALA 89 Ca 0.38 -3.98 -0.18 0.00 0.00 0.00 0.00 53.44 49.66 1jxf n ALA 89 Cb 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.00 -0.46 2.70 0.00 0.00 -1.26 -4.86 105.19 101.30 1jxf n GLY 90 Ca 0.27 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.90 0.66 0.07 1.61 -2.45 -1.26 -4.87 119.30 107.16 1jxf s MET 91 Ca 0.34 -1.05 -0.08 0.00 -1.25 0.00 0.00 55.69 53.65 1jxf s MET 91 Cb -0.19 -1.88 -0.00 0.00 1.25 0.00 0.00 34.83 34.00 1jxf s MET 91 CO 0.42 -1.00 0.16 0.08 1.05 0.00 0.00 175.02 175.73 1jxf s VAL 92 N 1.62 0.14 -0.06 10.11 1.01 -1.26 -4.04 120.40 127.92 1jxf s VAL 92 Ca 0.10 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 1jxf s VAL 92 Cb -0.17 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1jxf s VAL 92 CO -0.25 -0.65 0.03 -0.83 0.00 0.00 0.00 175.10 173.40 1jxf s GLY 93 N -2.67 0.34 -0.17 4.51 0.00 -0.35 -4.65 107.32 104.34 1jxf s GLY 93 Ca 0.03 0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 1jxf s GLY 93 CO -0.09 1.28 0.24 1.25 0.00 0.00 0.00 173.10 175.78 1jxf s LYS 94 N 2.07 4.18 0.05 2.90 2.47 -0.61 -1.89 119.74 128.91 1jxf s LYS 94 Ca 0.05 -0.00 0.08 0.00 -1.56 0.00 0.00 55.97 54.53 1jxf s LYS 94 Cb -0.12 -3.41 -0.03 0.00 -1.46 0.00 0.00 37.83 32.81 1jxf s LYS 94 CO -0.04 0.30 -0.20 0.08 0.16 0.00 0.00 175.35 175.65 1jxf s VAL 95 N 0.31 2.65 -0.10 4.02 1.01 0.49 -2.93 120.40 125.86 1jxf s VAL 95 Ca 0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 1jxf s VAL 95 Cb -0.12 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1jxf s VAL 95 CO 0.02 0.32 0.17 -0.69 0.00 0.00 0.00 175.10 174.93 1jxf s VAL 96 N -0.92 -0.27 0.02 2.92 1.01 -1.10 -2.75 120.40 119.31 1jxf s VAL 96 Ca 0.14 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 1jxf s VAL 96 Cb -0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1jxf s VAL 96 CO 0.05 0.11 0.34 -0.69 0.00 0.00 0.00 175.10 174.91 1jxf s VAL 97 N 2.30 5.18 -2.00 2.92 1.01 -1.08 -3.50 120.40 125.23 1jxf s VAL 97 Ca 0.03 0.44 0.25 0.00 0.00 0.00 0.00 61.98 62.70 1jxf s VAL 97 Cb -0.12 -3.61 0.72 0.00 0.00 0.00 0.00 36.38 33.36 1jxf s VAL 97 CO -0.06 0.41 1.87 0.47 0.00 0.00 0.00 175.10 177.78