#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxf n ASN 2 N 0.00 -1.12 -4.63 0.00 3.02 -1.26 -4.82 115.26 106.44 1jxf n ASN 2 Ca 0.00 -3.08 -0.43 0.00 -0.03 0.00 0.00 54.58 51.04 1jxf n ASN 2 Cb 0.00 2.25 -0.02 0.00 -0.61 0.00 0.00 39.78 41.40 1jxf n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jxf s ALA 3 N -3.06 3.37 -0.01 5.41 0.00 -1.09 -4.77 121.76 121.61 1jxf s ALA 3 Ca 0.35 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1jxf s ALA 3 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1jxf s ALA 3 CO 0.25 -1.77 0.93 0.99 0.00 0.00 0.00 175.76 176.16 1jxf s THR 4 N 4.37 4.89 -0.24 0.00 2.01 -1.26 -0.45 115.64 124.96 1jxf s THR 4 Ca 0.56 1.96 -0.03 0.00 0.31 0.00 0.00 61.69 64.49 1jxf s THR 4 Cb -0.17 -4.27 0.11 0.00 0.01 0.00 0.00 72.50 68.18 1jxf s THR 4 CO 0.23 0.18 0.23 -0.69 -0.69 0.00 0.00 174.62 173.88 1jxf s VAL 5 N 0.96 -0.32 -0.13 3.82 1.01 -0.32 -4.64 120.40 120.77 1jxf s VAL 5 Ca 0.50 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1jxf s VAL 5 Cb -0.20 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1jxf s VAL 5 CO 0.26 -0.36 1.23 -1.59 0.00 0.00 0.00 175.10 174.64 1jxf s LYS 6 N 2.31 4.27 0.41 2.72 -2.85 -0.85 -3.66 119.74 122.09 1jxf s LYS 6 Ca 0.08 1.65 0.14 0.00 -1.00 0.00 0.00 55.97 56.84 1jxf s LYS 6 Cb -0.15 -3.69 0.86 0.00 -2.06 0.00 0.00 37.83 32.79 1jxf s LYS 6 CO -0.22 -0.61 1.89 0.00 0.10 0.00 0.00 175.35 176.50 1jxf h MET 7 N 7.92 0.00 0.00 1.78 -0.00 -1.80 -2.48 114.93 120.34 1jxf h MET 7 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1jxf h MET 7 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 1jxf h MET 7 CO 0.94 0.30 0.00 0.41 -0.00 0.00 0.00 176.91 178.56 1jxf n GLY 8 N -0.63 5.10 3.37 -3.00 0.00 -1.16 -3.30 105.19 105.57 1jxf n GLY 8 Ca -0.02 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.09 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 1.00 2.61 -1.06 1.61 1.04 -0.89 -4.51 113.70 113.50 1jxf s SER 9 Ca 0.00 -1.08 -0.17 0.00 0.48 0.00 0.00 55.95 55.19 1jxf s SER 9 Cb 0.00 -0.14 -0.08 0.00 0.10 0.00 0.00 66.02 65.90 1jxf s SER 9 CO 0.00 -0.23 2.11 -0.90 0.98 0.00 0.00 173.24 175.20 1jxf n ASP 10 N -0.44 3.64 -2.11 7.02 5.68 -1.26 -3.37 116.55 125.71 1jxf n ASP 10 Ca -0.07 -2.68 -0.03 0.00 -0.50 0.00 0.00 54.79 51.51 1jxf n ASP 10 Cb 0.61 -1.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1jxf n SER 11 N 6.39 -4.74 0.00 -1.12 2.88 -1.26 -5.01 113.62 110.76 1jxf n SER 11 Ca 0.52 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1jxf n SER 11 Cb 0.35 -3.02 0.00 0.00 -0.75 0.00 0.00 64.21 60.80 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 -0.31 -2.14 3.37 0.46 0.00 -1.26 -5.10 105.19 100.21 1jxf n GLY 12 Ca 0.05 0.67 -0.18 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.00 1.44 -0.48 4.61 0.00 -1.26 -5.05 121.76 120.01 1jxf s ALA 13 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 51.96 49.99 1jxf s ALA 13 Cb 0.00 1.35 0.12 0.00 0.00 0.00 0.00 23.12 24.59 1jxf s ALA 13 CO 0.00 -0.72 0.38 -0.48 0.00 0.00 0.00 175.76 174.94 1jxf s LEU 14 N -3.32 5.79 0.01 0.00 2.34 -1.26 -2.10 118.68 120.13 1jxf s LEU 14 Ca 0.37 -1.89 -0.08 0.00 0.06 0.00 0.00 54.13 52.59 1jxf s LEU 14 Cb 0.01 -2.05 0.00 0.00 -0.56 0.00 0.00 46.19 43.59 1jxf s LEU 14 CO 0.25 -0.73 0.15 0.68 -1.06 0.00 0.00 176.35 175.64 1jxf s VAL 15 N 1.41 0.09 -0.24 1.48 -7.23 -1.23 -4.61 120.40 110.06 1jxf s VAL 15 Ca 0.05 -0.72 -0.18 0.00 -1.81 0.00 0.00 61.98 59.32 1jxf s VAL 15 Cb -0.27 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 1jxf s VAL 15 CO 0.00 -0.40 0.53 -0.36 -0.31 0.00 0.00 175.10 174.57 1jxf s PHE 16 N -1.54 3.30 -0.09 2.82 0.08 -1.21 -2.99 117.98 118.36 1jxf s PHE 16 Ca -0.14 0.70 -0.04 0.00 0.12 0.00 0.00 56.93 57.58 1jxf s PHE 16 Cb -0.07 -2.72 0.05 0.00 -0.57 0.00 0.00 43.02 39.71 1jxf s PHE 16 CO 0.01 -0.24 0.18 -2.00 -0.10 0.00 0.00 175.22 173.07 1jxf s GLU 17 N 2.16 0.08 0.04 0.44 2.12 -0.94 -0.56 118.70 122.04 1jxf s GLU 17 Ca 0.23 0.54 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 1jxf s GLU 17 Cb -0.16 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 33.98 1jxf s GLU 17 CO 0.09 -0.26 1.18 -1.25 -0.54 0.00 0.00 175.26 174.48 1jxf s PRO 18 N 1.95 4.43 0.52 4.30 0.04 -1.26 -2.02 135.00 142.96 1jxf s PRO 18 Ca -0.01 1.72 0.30 0.00 0.04 0.00 0.00 61.00 63.05 1jxf s PRO 18 Cb -0.12 -3.39 1.44 0.00 0.04 0.00 0.00 34.50 32.47 1jxf s PRO 18 CO -0.06 -0.27 1.89 0.66 0.04 0.00 0.00 177.00 179.26 1jxf h SER 19 N 6.91 0.05 -3.55 6.66 4.64 -1.18 -3.33 113.55 123.74 1jxf h SER 19 Ca -0.40 0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.33 1jxf h SER 19 Cb 1.21 -0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.91 1jxf h SER 19 CO 0.82 0.02 -0.78 -0.89 -0.87 0.00 0.00 176.83 175.12 1jxf s THR 20 N -5.03 1.34 -0.10 2.95 2.01 -1.26 -0.54 115.64 115.01 1jxf s THR 20 Ca -0.05 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.90 1jxf s THR 20 Cb 0.22 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 1jxf s THR 20 CO 0.77 -0.10 -0.17 0.68 -0.69 0.00 0.00 174.62 175.12 1jxf s VAL 21 N 1.48 2.75 -0.30 3.82 -7.23 -1.18 -5.05 120.40 114.70 1jxf s VAL 21 Ca -0.05 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1jxf s VAL 21 Cb -0.18 -2.10 0.09 0.00 0.56 0.00 0.00 36.38 34.74 1jxf s VAL 21 CO -0.07 0.55 0.05 -0.89 -0.31 0.00 0.00 175.10 174.43 1jxf s THR 22 N 0.06 1.43 0.56 5.32 2.01 -1.26 -2.20 115.64 121.56 1jxf s THR 22 Ca -0.07 -1.60 0.06 0.00 0.31 0.00 0.00 61.69 60.39 1jxf s THR 22 Cb -0.15 -1.97 0.05 0.00 0.01 0.00 0.00 72.50 70.44 1jxf s THR 22 CO 0.05 -0.50 0.51 0.27 -0.69 0.00 0.00 174.62 174.26 1jxf s ILE 23 N 1.36 1.73 0.93 1.82 -4.36 -1.18 -4.98 121.20 116.53 1jxf s ILE 23 Ca 0.06 -1.37 -0.13 0.00 -0.26 0.00 0.00 60.65 58.94 1jxf s ILE 23 Cb -0.18 -2.10 0.15 0.00 1.25 0.00 0.00 42.46 41.58 1jxf s ILE 23 CO -0.15 0.00 1.16 -0.54 0.24 0.00 0.00 174.94 175.66 1jxf s LYS 24 N -4.39 0.97 -0.15 0.37 1.02 -1.26 -1.48 119.74 114.82 1jxf s LYS 24 Ca 0.40 0.14 -0.21 0.00 0.02 0.00 0.00 55.97 56.33 1jxf s LYS 24 Cb -0.03 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1jxf s LYS 24 CO 0.25 -2.28 0.61 0.00 -0.92 0.00 0.00 175.35 173.01 1jxf s ALA 25 N -3.37 3.47 0.00 5.17 0.00 0.48 -3.64 121.76 123.87 1jxf s ALA 25 Ca 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1jxf s ALA 25 Cb -0.12 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1jxf s ALA 25 CO 0.53 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.39 1jxf n GLY 26 N 3.49 2.40 3.74 0.00 0.00 0.87 -4.94 105.19 110.75 1jxf n GLY 26 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1jxf n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jxf n GLU 27 N -1.13 -1.56 -4.70 1.61 2.13 -1.21 -4.72 120.64 111.06 1jxf n GLU 27 Ca 0.00 -1.97 -0.32 0.00 0.66 0.00 0.00 57.16 55.53 1jxf n GLU 27 Cb 0.00 -1.39 -0.07 0.00 0.27 0.00 0.00 31.44 30.25 1jxf n GLU 27 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1jxf s GLU 28 N -5.79 2.16 -0.01 5.31 8.01 -1.26 -0.78 118.70 126.34 1jxf s GLU 28 Ca 0.73 -2.39 -0.07 0.00 0.01 0.00 0.00 54.97 53.26 1jxf s GLU 28 Cb -0.03 -1.19 0.00 0.00 -4.31 0.00 0.00 34.13 28.60 1jxf s GLU 28 CO 0.52 -0.46 0.14 0.08 0.01 0.00 0.00 175.26 175.54 1jxf s VAL 29 N -2.99 0.07 0.21 2.63 1.01 -0.83 -2.67 120.40 117.82 1jxf s VAL 29 Ca 0.07 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.60 1jxf s VAL 29 Cb 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 1jxf s VAL 29 CO 0.05 -0.31 -0.23 -0.75 0.00 0.00 0.00 175.10 173.86 1jxf s LYS 30 N -1.10 1.54 -0.20 2.72 2.20 0.40 -1.89 119.74 123.42 1jxf s LYS 30 Ca -0.12 -1.58 -0.03 0.00 -0.36 0.00 0.00 55.97 53.88 1jxf s LYS 30 Cb -0.06 -1.79 0.06 0.00 -1.51 0.00 0.00 37.83 34.52 1jxf s LYS 30 CO 0.01 0.37 0.04 -1.58 -0.36 0.00 0.00 175.35 173.83 1jxf s TRP 31 N -1.91 1.00 0.19 4.03 0.51 -0.90 -1.18 118.94 120.69 1jxf s TRP 31 Ca 0.23 -0.85 -0.30 0.00 -2.12 0.00 0.00 56.10 53.06 1jxf s TRP 31 Cb -0.07 -1.02 -0.08 0.00 -0.81 0.00 0.00 33.47 31.49 1jxf s TRP 31 CO 0.11 -0.61 1.12 0.08 -0.51 0.00 0.00 176.95 177.13 1jxf s VAL 32 N 1.87 3.77 -0.25 4.03 1.01 -1.24 -2.50 120.40 127.10 1jxf s VAL 32 Ca -0.01 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 1jxf s VAL 32 Cb -0.17 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1jxf s VAL 32 CO -0.08 0.27 1.31 0.21 0.00 0.00 0.00 175.10 176.81 1jxf s ASN 33 N -0.14 6.74 0.24 3.32 3.84 -1.23 -3.82 114.94 123.90 1jxf s ASN 33 Ca 0.49 1.41 0.03 0.00 0.21 0.00 0.00 52.86 55.01 1jxf s ASN 33 Cb -0.30 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 37.89 1jxf s ASN 33 CO 0.36 -0.98 0.29 0.59 -2.79 0.00 0.00 177.10 174.56 1jxf n ASN 34 N 7.33 1.14 -3.93 -4.21 4.13 -1.26 -4.76 115.26 113.70 1jxf n ASN 34 Ca 0.15 -1.69 -0.30 0.00 1.68 0.00 0.00 54.58 54.42 1jxf n ASN 34 Cb 0.46 -0.13 0.22 0.00 -1.54 0.00 0.00 39.78 38.79 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 -3.05 -0.36 -0.53 3.52 3.01 -1.22 -4.25 119.74 116.87 1jxf s LYS 35 Ca 0.22 -0.27 0.00 0.00 -1.01 0.00 0.00 55.97 54.90 1jxf s LYS 35 Cb -0.02 -1.72 0.00 0.00 -1.01 0.00 0.00 37.83 35.09 1jxf s LYS 35 CO 0.14 -3.10 0.00 1.28 0.51 0.00 0.00 175.35 174.18 1jxf n LEU 36 N -4.28 -1.00 -4.67 3.17 4.32 -1.26 -4.71 117.00 108.55 1jxf n LEU 36 Ca 0.15 0.04 -0.30 0.00 -0.02 0.00 0.00 56.01 55.87 1jxf n LEU 36 Cb 0.59 -1.17 0.16 0.00 -1.62 0.00 0.00 43.42 41.38 1jxf n LEU 36 CO 0.45 -0.13 0.66 -0.94 -1.22 0.00 0.00 177.39 176.20 1jxf s SER 37 N -2.80 3.08 0.73 -1.43 1.04 -1.26 -4.57 113.70 108.48 1jxf s SER 37 Ca 0.00 1.86 -0.11 0.00 0.48 0.00 0.00 55.95 58.18 1jxf s SER 37 Cb 0.00 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.71 1jxf s SER 37 CO 0.00 -2.95 1.07 -2.16 0.98 0.00 0.00 173.24 170.18 1jxf s PRO 38 N -4.73 2.68 -0.27 4.02 0.04 -1.26 -5.11 135.00 130.36 1jxf s PRO 38 Ca 0.65 0.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 1jxf s PRO 38 Cb -0.21 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.46 1jxf s PRO 38 CO 0.58 -1.26 0.12 -1.01 0.04 0.00 0.00 177.00 175.48 1jxf s HIS 39 N -3.08 0.42 0.42 0.56 3.76 -1.26 -4.96 115.29 111.15 1jxf s HIS 39 Ca 0.59 -0.86 0.08 0.00 -0.15 0.00 0.00 55.06 54.72 1jxf s HIS 39 Cb -0.14 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.62 1jxf s HIS 39 CO 0.55 -0.78 0.52 0.54 -0.85 0.00 0.00 174.74 174.72 1jxf s ASN 40 N 2.06 5.48 -0.32 1.40 4.22 -1.26 -4.54 114.94 121.98 1jxf s ASN 40 Ca 0.08 -0.52 -0.01 0.00 -2.14 0.00 0.00 52.86 50.27 1jxf s ASN 40 Cb -0.16 -0.62 0.10 0.00 1.28 0.00 0.00 41.25 41.85 1jxf s ASN 40 CO -0.31 -0.74 0.12 -0.63 -2.04 0.00 0.00 177.10 173.50 1jxf s ILE 41 N -2.39 0.81 -0.30 0.54 1.01 -1.08 -4.39 121.20 115.40 1jxf s ILE 41 Ca 0.53 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 1jxf s ILE 41 Cb -0.08 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1jxf s ILE 41 CO 0.32 -0.71 0.22 0.68 0.00 0.00 0.00 174.94 175.45 1jxf s VAL 42 N 1.53 5.29 -0.92 2.92 -7.23 -1.15 0.21 120.40 121.05 1jxf s VAL 42 Ca 0.11 0.04 -0.24 0.00 -1.81 0.00 0.00 61.98 60.08 1jxf s VAL 42 Cb -0.18 -3.62 0.05 0.00 0.56 0.00 0.00 36.38 33.19 1jxf s VAL 42 CO -0.23 0.14 1.37 -0.36 -0.31 0.00 0.00 175.10 175.71 1jxf s PHE 43 N 1.77 2.46 -0.47 2.82 0.40 -1.26 -2.94 117.98 120.76 1jxf s PHE 43 Ca 0.07 -0.58 -0.28 0.00 -0.60 0.00 0.00 56.93 55.54 1jxf s PHE 43 Cb -0.17 -4.66 0.01 0.00 0.51 0.00 0.00 43.02 38.72 1jxf s PHE 43 CO 0.11 -1.97 1.42 0.00 0.70 0.00 0.00 175.22 175.47 1jxf s ALA 44 N 5.16 2.95 -0.69 5.36 0.00 0.58 -4.64 121.76 130.48 1jxf s ALA 44 Ca 0.41 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 1jxf s ALA 44 Cb -0.03 -4.00 -0.13 0.00 0.00 0.00 0.00 23.12 18.95 1jxf s ALA 44 CO -0.01 -2.61 2.51 0.00 0.00 0.00 0.00 175.76 175.65 1jxf n ALA 45 N 9.15 0.60 -2.54 0.00 0.00 -1.26 -3.22 120.51 123.23 1jxf n ALA 45 Ca 0.15 -0.72 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 1jxf n ALA 45 Cb 0.49 -2.87 -0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 13.94 5.13 0.00 0.00 -0.08 -1.26 -4.66 116.55 129.61 1jxf n ASP 46 Ca 0.48 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 50.04 1jxf n ASP 46 Cb 0.35 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.22 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 -0.41 1.09 3.82 0.27 0.00 -1.26 -4.85 105.19 103.84 1jxf n GLY 47 Ca 0.39 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.58 1.61 3.14 -1.26 -4.83 118.33 114.42 1jxf n VAL 48 Ca 0.00 -2.05 -0.38 0.00 -2.96 0.00 0.00 64.34 58.95 1jxf n VAL 48 Cb 0.00 -0.24 -0.05 0.00 -1.06 0.00 0.00 33.84 32.49 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 -4.36 7.09 0.03 6.55 1.01 -1.26 -4.87 116.67 120.85 1jxf s ASP 49 Ca 0.44 2.07 -0.26 0.00 0.71 0.00 0.00 52.55 55.50 1jxf s ASP 49 Cb -0.03 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.15 1jxf s ASP 49 CO 0.28 -0.26 1.22 0.00 0.21 0.00 0.00 175.17 176.62 1jxf h ALA 50 N 3.15 -1.08 -1.02 5.23 0.00 -1.98 0.55 119.26 124.11 1jxf h ALA 50 Ca -0.47 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 54.52 1jxf h ALA 50 Cb 1.21 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.23 1jxf h ALA 50 CO 0.65 -1.01 0.61 -0.44 0.00 0.00 0.00 179.25 179.05 1jxf h ASP 51 N -1.10 0.56 0.28 0.00 5.19 -1.99 0.44 116.42 119.80 1jxf h ASP 51 Ca -0.10 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1jxf h ASP 51 Cb 0.73 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1jxf h ASP 51 CO 0.16 -0.02 -0.14 0.74 -3.12 0.00 0.00 179.24 176.86 1jxf h THR 52 N 0.42 0.76 -0.06 0.35 2.02 -1.89 -2.24 112.91 112.26 1jxf h THR 52 Ca 0.69 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.56 1jxf h THR 52 Cb 1.53 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1jxf h THR 52 CO -0.51 0.07 0.06 0.00 0.37 0.00 0.00 175.52 175.51 1jxf h ALA 53 N 0.12 1.73 0.53 6.16 0.00 0.17 0.15 119.26 128.12 1jxf h ALA 53 Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jxf h ALA 53 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jxf h ALA 53 CO 0.06 -0.10 -0.26 0.00 0.00 0.00 0.00 179.25 178.96 1jxf h ALA 54 N 1.93 -0.72 -0.11 0.00 0.00 0.29 1.49 119.26 122.14 1jxf h ALA 54 Ca 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1jxf h ALA 54 Cb 0.16 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jxf h ALA 54 CO -0.00 -0.91 -0.45 0.87 0.00 0.00 0.00 179.25 178.76 1jxf h LYS 55 N -0.72 0.27 -0.01 0.00 1.57 -1.03 -1.61 116.57 115.03 1jxf h LYS 55 Ca -0.07 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1jxf h LYS 55 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1jxf h LYS 55 CO 0.11 0.67 0.00 1.28 -0.57 0.00 0.00 179.45 180.95 1jxf n LEU 56 N -3.99 0.40 -4.92 2.94 4.77 0.45 -4.73 117.00 111.92 1jxf n LEU 56 Ca -0.02 -0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 55.57 1jxf n LEU 56 Cb 0.51 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1jxf n LEU 56 CO 0.43 0.07 -0.11 -0.44 -1.33 0.00 0.00 177.39 176.01 1jxf s SER 57 N -1.89 6.19 -0.31 -1.43 0.01 0.51 -4.16 113.70 112.61 1jxf s SER 57 Ca 0.41 0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.74 1jxf s SER 57 Cb 0.20 -1.81 0.11 0.00 0.21 0.00 0.00 66.02 64.72 1jxf s SER 57 CO 0.32 0.03 0.13 -1.00 0.41 0.00 0.00 173.24 173.13 1jxf s HIS 58 N -1.80 1.06 -0.39 2.43 3.76 0.56 -4.85 115.29 116.05 1jxf s HIS 58 Ca 0.34 -1.41 0.06 0.00 -0.15 0.00 0.00 55.06 53.90 1jxf s HIS 58 Cb -0.10 -1.31 0.53 0.00 1.11 0.00 0.00 32.58 32.80 1jxf s HIS 58 CO 0.28 -0.85 1.51 1.63 -0.85 0.00 0.00 174.74 176.46 1jxf n LYS 59 N 4.87 2.82 -0.15 1.40 5.02 -1.26 -2.63 118.16 128.22 1jxf n LYS 59 Ca -0.02 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 1jxf n LYS 59 Cb 0.41 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 -0.11 0.59 3.26 0.72 0.00 -1.26 -5.08 105.19 103.31 1jxf n GLY 60 Ca 0.31 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 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 1.30 -0.10 0.99 1.02 -1.26 -4.58 118.68 116.05 1jxf s LEU 61 Ca 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 54.13 53.06 1jxf s LEU 61 Cb 0.00 0.78 0.05 0.00 0.02 0.00 0.00 46.19 47.04 1jxf s LEU 61 CO 0.00 -0.83 0.21 0.00 0.02 0.00 0.00 176.35 175.75 1jxf s ALA 62 N -4.02 -0.37 -0.02 4.21 0.00 -1.26 -4.98 121.76 115.32 1jxf s ALA 62 Ca 0.22 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1jxf s ALA 62 Cb 0.05 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.43 1jxf s ALA 62 CO 0.02 -0.46 0.87 1.19 0.00 0.00 0.00 175.76 177.37 1jxf n PHE 63 N 4.98 0.00 -4.22 0.00 3.01 -1.26 -4.15 117.46 115.82 1jxf n PHE 63 Ca -0.12 -0.34 -0.19 0.00 1.01 0.00 0.00 57.45 57.81 1jxf n PHE 63 Cb 0.51 -0.05 -0.12 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.84 1.42 -1.28 4.37 0.00 -1.26 -5.05 121.76 119.12 1jxf s ALA 64 Ca 0.06 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1jxf s ALA 64 Cb 0.05 -0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.21 1jxf s ALA 64 CO 0.01 0.17 2.14 0.00 0.00 0.00 0.00 175.76 178.08 1jxf n ALA 65 N 0.94 6.22 0.00 0.00 0.00 -1.26 -3.89 120.51 122.52 1jxf n ALA 65 Ca -0.19 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.02 1jxf n ALA 65 Cb 0.55 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 1.93 0.00 2.65 0.00 0.00 -1.26 -5.06 105.19 103.44 1jxf n GLY 66 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 0.47 -0.13 1.61 0.41 -1.25 -5.07 118.70 114.74 1jxf s GLU 67 Ca 0.00 -0.75 -0.01 0.00 -0.41 0.00 0.00 54.97 53.80 1jxf s GLU 67 Cb 0.00 -1.65 -0.02 0.00 -1.78 0.00 0.00 34.13 30.68 1jxf s GLU 67 CO 0.00 -0.96 -0.11 -1.12 -0.49 0.00 0.00 175.26 172.58 1jxf s SER 68 N 1.86 4.20 0.79 -0.19 0.01 -1.26 -3.51 113.70 115.59 1jxf s SER 68 Ca 0.08 -0.27 -0.10 0.00 1.31 0.00 0.00 55.95 56.97 1jxf s SER 68 Cb -0.17 -1.61 0.10 0.00 0.21 0.00 0.00 66.02 64.55 1jxf s SER 68 CO -0.28 0.18 1.13 -0.36 0.41 0.00 0.00 173.24 174.31 1jxf s PHE 69 N 0.28 2.60 0.04 2.43 0.08 -1.04 -4.79 117.98 117.59 1jxf s PHE 69 Ca -0.08 0.48 0.01 0.00 0.12 0.00 0.00 56.93 57.46 1jxf s PHE 69 Cb -0.15 -3.46 -0.03 0.00 -0.57 0.00 0.00 43.02 38.82 1jxf s PHE 69 CO 0.05 -1.78 -0.05 0.99 -0.10 0.00 0.00 175.22 174.33 1jxf s THR 70 N -3.47 0.35 -0.02 0.64 2.01 -1.26 -2.11 115.64 111.78 1jxf s THR 70 Ca 0.64 -1.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1jxf s THR 70 Cb -0.09 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1jxf s THR 70 CO 0.48 -0.55 0.06 -0.55 -0.69 0.00 0.00 174.62 173.37 1jxf s SER 71 N -1.84 -0.01 -0.31 3.53 0.15 -0.79 -4.96 113.70 109.47 1jxf s SER 71 Ca -0.08 -0.00 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 1jxf s SER 71 Cb -0.06 0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1jxf s SER 71 CO -0.02 -0.11 0.77 -0.89 1.20 0.00 0.00 173.24 174.19 1jxf s THR 72 N -0.38 4.81 -0.95 6.45 2.01 -1.26 -1.97 115.64 124.35 1jxf s THR 72 Ca -0.04 1.14 -0.00 0.00 0.31 0.00 0.00 61.69 63.09 1jxf s THR 72 Cb -0.03 -4.13 0.31 0.00 0.01 0.00 0.00 72.50 68.66 1jxf s THR 72 CO 0.00 -0.24 1.50 0.49 -0.69 0.00 0.00 174.62 175.69 1jxf n PHE 73 N 6.17 2.85 -0.08 4.92 3.01 0.04 -4.71 117.46 129.65 1jxf n PHE 73 Ca 0.03 -2.90 -0.10 0.00 1.01 0.00 0.00 57.45 55.49 1jxf n PHE 73 Cb 0.48 -1.06 -0.04 0.00 -0.01 0.00 0.00 39.48 38.85 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 0.43 1.45 -2.02 4.37 -2.24 -1.26 -0.09 114.28 114.92 1jxf n THR 74 Ca 0.37 0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.86 1jxf n THR 74 Cb 0.31 -2.29 -0.03 0.00 -2.10 0.00 0.00 70.33 66.23 1jxf n THR 74 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jxf s GLU 75 N -2.30 4.13 -0.64 -0.78 8.01 -1.26 -3.90 118.70 121.96 1jxf s GLU 75 Ca -0.19 2.13 -0.27 0.00 0.01 0.00 0.00 54.97 56.64 1jxf s GLU 75 Cb 0.03 -3.99 0.01 0.00 -4.31 0.00 0.00 34.13 25.87 1jxf s GLU 75 CO 0.33 -0.91 1.55 -1.25 0.01 0.00 0.00 175.26 174.99 1jxf s PRO 76 N 4.13 2.99 0.00 0.39 0.04 -1.26 -4.70 135.00 136.59 1jxf s PRO 76 Ca 0.73 0.27 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1jxf s PRO 76 Cb -0.32 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1jxf s PRO 76 CO 0.29 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1jxf n GLY 77 N 5.48 3.12 3.08 0.56 0.00 -1.24 -4.92 105.19 111.28 1jxf n GLY 77 Ca 0.12 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.96 1.56 -0.29 2.61 2.01 -1.26 -1.85 115.64 116.46 1jxf s THR 78 Ca 0.00 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1jxf s THR 78 Cb 0.00 -1.41 0.08 0.00 0.01 0.00 0.00 72.50 71.18 1jxf s THR 78 CO 0.00 0.45 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.03 1jxf s TYR 79 N 0.86 3.47 -0.73 4.92 2.02 -0.76 -4.02 117.35 123.10 1jxf s TYR 79 Ca -0.09 -2.61 -0.27 0.00 -0.37 0.00 0.00 57.07 53.73 1jxf s TYR 79 Cb -0.15 -2.34 0.03 0.00 -0.40 0.00 0.00 41.96 39.10 1jxf s TYR 79 CO 0.00 -0.91 1.25 0.99 -1.57 0.00 0.00 175.55 175.32 1jxf s THR 80 N 1.02 3.77 -0.14 -0.71 2.01 -1.20 -2.18 115.64 118.21 1jxf s THR 80 Ca -0.01 0.37 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 1jxf s THR 80 Cb -0.20 -4.90 -0.03 0.00 0.01 0.00 0.00 72.50 67.39 1jxf s THR 80 CO -0.06 -1.82 -0.02 -0.72 -0.69 0.00 0.00 174.62 171.31 1jxf s TYR 81 N 5.59 3.08 0.34 4.92 1.13 -1.13 -0.31 117.35 130.97 1jxf s TYR 81 Ca 0.34 -0.14 0.03 0.00 -1.41 0.00 0.00 57.07 55.89 1jxf s TYR 81 Cb -0.09 -1.94 -0.01 0.00 -1.10 0.00 0.00 41.96 38.83 1jxf s TYR 81 CO 0.15 0.10 0.38 2.48 -2.51 0.00 0.00 175.55 176.15 1jxf n TYR 82 N 3.23 -1.11 -2.89 -3.49 0.18 -1.15 -1.24 117.16 110.69 1jxf n TYR 82 Ca -0.17 -2.56 -0.41 0.00 1.88 0.00 0.00 57.90 56.63 1jxf n TYR 82 Cb 0.53 0.42 -0.04 0.00 -0.38 0.00 0.00 39.34 39.86 1jxf n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jxf h GLU 84 N 6.51 -0.02 0.19 0.00 5.08 -1.96 -1.64 114.58 122.76 1jxf h GLU 84 Ca -0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1jxf h GLU 84 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1jxf h GLU 84 CO 0.74 -0.01 -0.09 -1.00 -1.00 0.00 0.00 179.01 177.65 1jxf h PRO 85 N -0.02 -0.25 -3.51 2.33 0.13 -1.96 -3.36 132.00 125.36 1jxf h PRO 85 Ca 0.30 0.02 -0.73 0.00 -0.87 0.00 0.00 66.00 64.72 1jxf h PRO 85 Cb 0.48 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.57 1jxf h PRO 85 CO -0.67 0.01 2.59 0.72 -0.23 0.00 0.00 178.00 180.43 1jxf n HIS 86 N -4.94 3.04 -0.04 1.56 8.25 -1.07 -4.61 115.22 117.41 1jxf n HIS 86 Ca -0.05 -2.88 -0.02 0.00 -0.26 0.00 0.00 57.72 54.51 1jxf n HIS 86 Cb 0.19 -2.18 -0.01 0.00 1.12 0.00 0.00 29.99 29.12 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 5.63 0.00 -1.87 -0.41 2.43 -1.45 -3.23 114.38 115.47 1jxf h ARG 87 Ca 0.53 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.97 1jxf h ARG 87 Cb 0.56 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.81 1jxf h ARG 87 CO 1.71 0.00 0.60 0.41 -1.51 0.00 0.00 179.97 181.18 1jxf n GLY 88 N 1.74 5.65 0.06 2.80 0.00 -1.26 -4.42 105.19 109.76 1jxf n GLY 88 Ca -0.03 -2.56 -0.07 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.52 1.70 0.00 4.61 0.00 -1.26 -5.01 120.51 120.03 1jxf n ALA 89 Ca 0.50 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1jxf n ALA 89 Cb 0.34 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 2.50 0.65 3.45 0.00 0.00 -1.26 -5.10 105.19 105.43 1jxf n GLY 90 Ca -0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 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 3.14 -0.01 1.61 -2.45 -1.26 -4.99 119.30 115.34 1jxf s MET 91 Ca 0.00 -0.85 -0.09 0.00 -1.25 0.00 0.00 55.69 53.50 1jxf s MET 91 Cb 0.00 -4.16 0.01 0.00 1.25 0.00 0.00 34.83 31.93 1jxf s MET 91 CO 0.00 -1.50 0.19 0.08 1.05 0.00 0.00 175.02 174.84 1jxf s VAL 92 N 3.28 0.07 0.20 10.11 1.01 -1.26 -4.25 120.40 129.55 1jxf s VAL 92 Ca 0.19 -0.59 0.11 0.00 0.00 0.00 0.00 61.98 61.70 1jxf s VAL 92 Cb -0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1jxf s VAL 92 CO 0.12 -0.32 -0.22 -0.83 0.00 0.00 0.00 175.10 173.85 1jxf s GLY 93 N -1.27 1.73 -0.20 4.51 0.00 -0.38 -4.63 107.32 107.09 1jxf s GLY 93 Ca -0.13 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 42.94 1jxf s GLY 93 CO 0.02 -1.67 -0.05 0.54 0.00 0.00 0.00 173.10 171.94 1jxf s LYS 94 N -2.77 1.47 -0.05 2.90 1.02 0.30 -2.83 119.74 119.77 1jxf s LYS 94 Ca 0.22 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.38 1jxf s LYS 94 Cb -0.08 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1jxf s LYS 94 CO 0.11 -0.52 0.30 0.08 -0.92 0.00 0.00 175.35 174.40 1jxf s VAL 95 N 1.55 5.22 -0.16 3.17 1.01 -0.93 -3.11 120.40 127.16 1jxf s VAL 95 Ca -0.02 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1jxf s VAL 95 Cb -0.17 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1jxf s VAL 95 CO -0.07 0.59 0.09 -0.69 0.00 0.00 0.00 175.10 175.02 1jxf s VAL 96 N -1.04 -0.09 0.09 2.92 1.01 -0.93 -1.83 120.40 120.53 1jxf s VAL 96 Ca 0.20 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1jxf s VAL 96 Cb -0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1jxf s VAL 96 CO 0.10 -0.23 0.43 -0.69 0.00 0.00 0.00 175.10 174.70 1jxf s VAL 97 N 2.14 5.04 -0.69 2.92 1.01 -0.77 -3.10 120.40 126.96 1jxf s VAL 97 Ca 0.02 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1jxf s VAL 97 Cb -0.16 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1jxf s VAL 97 CO -0.08 0.29 0.67 -0.67 0.00 0.00 0.00 175.10 175.32