#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxf s ASN 2 N 0.00 0.85 -0.08 0.00 2.20 -1.26 -4.90 114.94 111.74 1jxf s ASN 2 Ca 0.00 -1.49 -0.30 0.00 -0.94 0.00 0.00 52.86 50.13 1jxf s ASN 2 Cb 0.00 0.54 -0.02 0.00 -2.00 0.00 0.00 41.25 39.77 1jxf s ASN 2 CO 0.00 -1.08 1.05 0.00 -2.94 0.00 0.00 177.10 174.14 1jxf s ALA 3 N -3.59 3.41 0.06 3.54 0.00 -1.16 -4.92 121.76 119.11 1jxf s ALA 3 Ca 0.35 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 1jxf s ALA 3 Cb 0.03 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1jxf s ALA 3 CO 0.19 -0.62 0.51 0.99 0.00 0.00 0.00 175.76 176.83 1jxf s THR 4 N 1.99 4.87 -0.09 0.00 2.01 -1.26 -1.21 115.64 121.94 1jxf s THR 4 Ca 0.50 0.99 -0.04 0.00 0.31 0.00 0.00 61.69 63.46 1jxf s THR 4 Cb -0.20 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.56 1jxf s THR 4 CO 0.20 0.49 0.21 -0.69 -0.69 0.00 0.00 174.62 174.14 1jxf s VAL 5 N -1.18 -0.08 0.03 3.82 1.01 -0.21 -4.53 120.40 119.24 1jxf s VAL 5 Ca 0.29 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1jxf s VAL 5 Cb -0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1jxf s VAL 5 CO 0.17 0.07 -0.24 -0.54 0.00 0.00 0.00 175.10 174.57 1jxf s LYS 6 N 1.38 1.71 0.00 2.72 1.02 0.20 0.77 119.74 127.54 1jxf s LYS 6 Ca -0.08 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 54.93 1jxf s LYS 6 Cb -0.11 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1jxf s LYS 6 CO -0.08 0.47 0.00 -1.33 -0.92 0.00 0.00 175.35 173.50 1jxf n MET 7 N 2.02 0.00 -1.55 1.68 2.81 -1.08 -0.67 117.12 120.33 1jxf n MET 7 Ca -0.17 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.40 1jxf n MET 7 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.99 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 3.05 0.09 3.25 3.03 0.00 -1.22 -3.46 105.19 109.94 1jxf n GLY 8 Ca 0.00 0.61 -0.34 0.00 0.00 0.00 0.00 46.02 46.28 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 16.23 -3.57 -3.51 1.61 7.64 -1.10 -4.41 113.62 126.49 1jxf n SER 9 Ca 0.40 0.26 -0.38 0.00 1.01 0.00 0.00 58.87 60.16 1jxf n SER 9 Cb 0.51 -1.02 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 1jxf n SER 9 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jxf n ASP 10 N 0.52 4.38 0.19 6.43 5.68 -1.26 -3.47 116.55 129.02 1jxf n ASP 10 Ca 0.03 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 1jxf n ASP 10 Cb 0.55 -1.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.19 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 5.79 -2.64 0.00 -1.12 2.88 -1.26 -5.07 113.62 112.19 1jxf n SER 11 Ca 0.54 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1jxf n SER 11 Cb 0.32 2.55 0.00 0.00 -0.75 0.00 0.00 64.21 66.33 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 -0.47 0.00 3.00 0.46 0.00 -1.23 -5.16 105.19 101.79 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 -0.43 -0.39 4.61 0.00 -1.26 -5.07 121.76 119.23 1jxf s ALA 13 Ca 0.00 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 1jxf s ALA 13 Cb 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1jxf s ALA 13 CO 0.00 -0.18 1.38 -0.48 0.00 0.00 0.00 175.76 176.49 1jxf s LEU 14 N 1.20 3.66 0.00 0.00 2.34 -1.26 -2.72 118.68 121.90 1jxf s LEU 14 Ca -0.09 0.92 0.04 0.00 0.06 0.00 0.00 54.13 55.05 1jxf s LEU 14 Cb -0.11 -3.54 -0.01 0.00 -0.56 0.00 0.00 46.19 41.97 1jxf s LEU 14 CO -0.07 -1.35 0.38 1.33 -1.06 0.00 0.00 176.35 175.58 1jxf n VAL 15 N 6.86 0.00 -3.89 1.48 0.24 -1.22 -4.94 118.33 116.86 1jxf n VAL 15 Ca 0.16 -2.22 -0.29 0.00 -2.04 0.00 0.00 64.34 59.94 1jxf n VAL 15 Cb 0.48 1.20 -0.16 0.00 -1.47 0.00 0.00 33.84 33.89 1jxf n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1jxf s PHE 16 N -3.16 1.94 -0.08 6.34 0.08 -1.26 -3.40 117.98 118.44 1jxf s PHE 16 Ca 0.36 -1.40 -0.04 0.00 0.12 0.00 0.00 56.93 55.98 1jxf s PHE 16 Cb 0.01 -1.40 0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1jxf s PHE 16 CO 0.26 -0.70 0.20 -2.00 -0.10 0.00 0.00 175.22 172.87 1jxf s GLU 17 N 1.55 0.15 0.10 0.44 2.12 0.15 -1.70 118.70 121.51 1jxf s GLU 17 Ca -0.03 0.45 -0.30 0.00 0.36 0.00 0.00 54.97 55.45 1jxf s GLU 17 Cb -0.17 -0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.00 1jxf s GLU 17 CO -0.07 -0.16 1.15 -1.25 -0.54 0.00 0.00 175.26 174.39 1jxf s PRO 18 N 1.20 4.50 0.56 4.30 0.04 -1.26 0.61 135.00 144.95 1jxf s PRO 18 Ca -0.09 1.73 0.26 0.00 0.04 0.00 0.00 61.00 62.94 1jxf s PRO 18 Cb -0.11 -3.33 1.54 0.00 0.04 0.00 0.00 34.50 32.65 1jxf s PRO 18 CO -0.07 -0.12 2.11 0.66 0.04 0.00 0.00 177.00 179.61 1jxf h SER 19 N 6.15 0.00 -3.25 6.66 4.64 -1.69 -3.38 113.55 122.68 1jxf h SER 19 Ca -0.43 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.44 1jxf h SER 19 Cb 1.21 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.93 1jxf h SER 19 CO 0.77 0.00 -0.77 -0.89 -0.87 0.00 0.00 176.83 175.07 1jxf s THR 20 N -4.80 0.50 0.01 2.95 2.01 -1.26 -0.92 115.64 114.13 1jxf s THR 20 Ca -0.05 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.07 1jxf s THR 20 Cb 0.16 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1jxf s THR 20 CO 0.61 0.28 -0.25 0.68 -0.69 0.00 0.00 174.62 175.25 1jxf s VAL 21 N 1.87 1.98 -0.31 3.82 -7.23 -1.25 -5.06 120.40 114.22 1jxf s VAL 21 Ca 0.04 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1jxf s VAL 21 Cb -0.12 -1.67 0.10 0.00 0.56 0.00 0.00 36.38 35.25 1jxf s VAL 21 CO -0.05 0.45 0.10 -0.89 -0.31 0.00 0.00 175.10 174.39 1jxf s THR 22 N -0.68 0.77 0.54 5.32 2.01 -1.26 -2.36 115.64 119.98 1jxf s THR 22 Ca 0.10 -1.31 0.04 0.00 0.31 0.00 0.00 61.69 60.82 1jxf s THR 22 Cb -0.10 -1.58 0.04 0.00 0.01 0.00 0.00 72.50 70.87 1jxf s THR 22 CO 0.00 -0.67 0.29 2.30 -0.69 0.00 0.00 174.62 175.85 1jxf n ILE 23 N 4.90 0.00 -1.55 1.82 -5.35 -1.22 -5.01 119.36 112.94 1jxf n ILE 23 Ca -0.03 -2.26 -0.29 0.00 -0.27 0.00 0.00 62.75 59.90 1jxf n ILE 23 Cb 0.42 0.13 0.17 0.00 -1.74 0.00 0.00 39.64 38.62 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 -4.15 0.44 -0.17 6.28 1.02 -1.26 -2.20 119.74 119.71 1jxf s LYS 24 Ca 0.22 -0.01 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 1jxf s LYS 24 Cb -0.02 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1jxf s LYS 24 CO 0.14 -2.61 0.52 0.00 -0.92 0.00 0.00 175.35 172.48 1jxf s ALA 25 N -3.40 3.51 0.00 5.17 0.00 -1.26 -3.80 121.76 121.99 1jxf s ALA 25 Ca 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1jxf s ALA 25 Cb -0.10 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1jxf s ALA 25 CO 0.54 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1jxf n GLY 26 N 3.64 2.37 3.73 0.00 0.00 0.69 -4.93 105.19 110.68 1jxf n GLY 26 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.58 -2.25 -4.57 1.61 2.13 -1.22 -4.65 120.64 111.11 1jxf n GLU 27 Ca 0.00 -1.93 -0.28 0.00 0.66 0.00 0.00 57.16 55.62 1jxf n GLU 27 Cb 0.00 -1.52 -0.08 0.00 0.27 0.00 0.00 31.44 30.11 1jxf n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1jxf s GLU 28 N -5.73 2.02 -0.00 5.31 1.03 -1.26 -0.31 118.70 119.75 1jxf s GLU 28 Ca 0.74 -2.25 0.00 0.00 0.03 0.00 0.00 54.97 53.49 1jxf s GLU 28 Cb -0.05 -0.78 0.00 0.00 -0.80 0.00 0.00 34.13 32.51 1jxf s GLU 28 CO 0.54 -0.48 -0.01 0.08 -1.33 0.00 0.00 175.26 174.06 1jxf s VAL 29 N -3.13 0.11 -0.11 1.83 1.01 -0.51 -2.99 120.40 116.61 1jxf s VAL 29 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1jxf s VAL 29 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1jxf s VAL 29 CO 0.12 0.04 -0.15 -0.75 0.00 0.00 0.00 175.10 174.37 1jxf s LYS 30 N 0.11 3.17 0.42 2.72 2.20 -0.35 -1.54 119.74 126.47 1jxf s LYS 30 Ca -0.01 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1jxf s LYS 30 Cb -0.02 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1jxf s LYS 30 CO -0.00 0.29 0.63 -1.58 -0.36 0.00 0.00 175.35 174.33 1jxf s TRP 31 N 0.14 3.29 -0.28 4.03 0.51 -0.73 -1.05 118.94 124.85 1jxf s TRP 31 Ca -0.08 0.24 -0.03 0.00 -2.12 0.00 0.00 56.10 54.12 1jxf s TRP 31 Cb -0.15 -2.19 0.11 0.00 -0.81 0.00 0.00 33.47 30.42 1jxf s TRP 31 CO 0.05 -0.22 0.17 0.08 -0.51 0.00 0.00 176.95 176.52 1jxf s VAL 32 N -2.48 -0.17 0.44 4.03 1.01 0.23 -3.87 120.40 119.59 1jxf s VAL 32 Ca 0.46 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1jxf s VAL 32 Cb -0.10 -0.94 -0.11 0.00 0.00 0.00 0.00 36.38 35.23 1jxf s VAL 32 CO 0.37 -0.61 0.95 0.21 0.00 0.00 0.00 175.10 176.02 1jxf s ASN 33 N 2.18 6.90 0.00 3.32 2.47 0.16 -2.62 114.94 127.34 1jxf s ASN 33 Ca 0.09 1.67 0.00 0.00 0.42 0.00 0.00 52.86 55.03 1jxf s ASN 33 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1jxf s ASN 33 CO -0.33 -0.39 0.00 0.59 -3.72 0.00 0.00 177.10 173.25 1jxf n ASN 34 N -0.76 0.00 -3.94 -4.21 4.13 -1.26 -4.02 115.26 105.21 1jxf n ASN 34 Ca 0.07 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.07 1jxf n ASN 34 Cb 0.54 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.71 1jxf n ASN 34 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jxf n LYS 35 N -0.92 0.60 -2.61 3.52 5.02 -1.26 -4.63 118.16 117.88 1jxf n LYS 35 Ca 0.00 -3.47 -0.08 0.00 -2.02 0.00 0.00 58.31 52.75 1jxf n LYS 35 Cb 0.00 1.80 0.04 0.00 -0.02 0.00 0.00 35.03 36.85 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 -2.99 -4.96 -0.35 4.32 -1.26 -4.63 117.00 107.14 1jxf n LEU 36 Ca -0.07 -0.28 -0.22 0.00 -0.02 0.00 0.00 56.01 55.42 1jxf n LEU 36 Cb 0.61 -1.69 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 1jxf n LEU 36 CO 0.32 0.16 0.19 -0.44 -1.22 0.00 0.00 177.39 176.40 1jxf s SER 37 N -3.57 5.99 0.63 -1.43 0.01 -1.26 -4.28 113.70 109.79 1jxf s SER 37 Ca 0.02 0.20 -0.14 0.00 1.31 0.00 0.00 55.95 57.34 1jxf s SER 37 Cb -0.00 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 1jxf s SER 37 CO 0.33 -0.51 1.05 -2.16 0.41 0.00 0.00 173.24 172.36 1jxf s PRO 38 N -4.38 3.20 -0.24 12.44 0.04 -1.26 -5.14 135.00 139.67 1jxf s PRO 38 Ca 0.45 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1jxf s PRO 38 Cb -0.10 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.48 1jxf s PRO 38 CO 0.35 -0.90 -0.07 -1.01 0.04 0.00 0.00 177.00 175.42 1jxf s HIS 39 N -2.73 2.60 0.45 0.56 3.76 -1.25 -4.97 115.29 113.70 1jxf s HIS 39 Ca 0.61 -1.87 0.08 0.00 -0.15 0.00 0.00 55.06 53.73 1jxf s HIS 39 Cb -0.15 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1jxf s HIS 39 CO 0.45 -0.80 0.59 -0.80 -0.85 0.00 0.00 174.74 173.33 1jxf s ASN 40 N 1.33 5.52 -0.30 1.40 -0.87 -1.26 -4.56 114.94 116.20 1jxf s ASN 40 Ca -0.06 -0.52 -0.02 0.00 -1.57 0.00 0.00 52.86 50.69 1jxf s ASN 40 Cb -0.19 -0.49 0.12 0.00 -0.02 0.00 0.00 41.25 40.67 1jxf s ASN 40 CO -0.06 -0.85 0.22 -0.63 -2.57 0.00 0.00 177.10 173.21 1jxf s ILE 41 N -2.41 -0.22 -0.21 0.60 1.01 -1.22 -4.48 121.20 114.26 1jxf s ILE 41 Ca 0.55 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 1jxf s ILE 41 Cb -0.09 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1jxf s ILE 41 CO 0.33 -0.62 0.00 0.68 0.00 0.00 0.00 174.94 175.34 1jxf s VAL 42 N 2.13 3.89 -0.55 2.92 -7.23 -1.14 0.97 120.40 121.40 1jxf s VAL 42 Ca 0.10 -0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 59.76 1jxf s VAL 42 Cb -0.15 -2.77 0.08 0.00 0.56 0.00 0.00 36.38 34.09 1jxf s VAL 42 CO -0.32 0.41 0.65 -0.36 -0.31 0.00 0.00 175.10 175.17 1jxf s PHE 43 N 1.23 3.03 0.03 2.82 0.08 -1.26 -2.20 117.98 121.71 1jxf s PHE 43 Ca 0.03 -0.76 -0.30 0.00 0.12 0.00 0.00 56.93 56.02 1jxf s PHE 43 Cb -0.15 -3.75 -0.04 0.00 -0.57 0.00 0.00 43.02 38.52 1jxf s PHE 43 CO 0.01 -1.15 1.03 0.00 -0.10 0.00 0.00 175.22 175.02 1jxf s ALA 44 N 2.61 3.23 -0.51 5.36 0.00 -0.17 -4.70 121.76 127.57 1jxf s ALA 44 Ca 0.13 0.62 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 1jxf s ALA 44 Cb -0.22 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1jxf s ALA 44 CO 0.09 -0.25 2.25 0.00 0.00 0.00 0.00 175.76 177.84 1jxf s ALA 45 N 0.87 1.82 -0.41 0.00 0.00 -1.26 -3.99 121.76 118.79 1jxf s ALA 45 Ca 0.53 -0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.47 1jxf s ALA 45 Cb -0.23 -4.32 0.39 0.00 0.00 0.00 0.00 23.12 18.95 1jxf s ALA 45 CO 0.29 -4.24 0.90 -0.25 0.00 0.00 0.00 175.76 172.45 1jxf n ASP 46 N 14.88 2.36 0.00 0.00 9.92 -1.26 -4.77 116.55 137.68 1jxf n ASP 46 Ca 0.32 -3.18 0.00 0.00 -0.53 0.00 0.00 54.79 51.40 1jxf n ASP 46 Cb 0.54 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.04 0.87 3.66 0.44 0.00 -1.26 -4.86 105.19 103.99 1jxf n GLY 47 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.60 1.61 3.14 -1.26 -4.57 118.33 115.65 1jxf n VAL 48 Ca 0.00 -2.43 -0.29 0.00 -2.96 0.00 0.00 64.34 58.65 1jxf n VAL 48 Cb 0.00 0.54 0.12 0.00 -1.06 0.00 0.00 33.84 33.44 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 -3.80 3.93 -0.05 6.55 1.01 -1.26 -4.83 116.67 118.23 1jxf s ASP 49 Ca 0.03 1.03 -0.01 0.00 0.71 0.00 0.00 52.55 54.31 1jxf s ASP 49 Cb 0.00 -1.64 -0.00 0.00 1.01 0.00 0.00 42.92 42.29 1jxf s ASP 49 CO 0.02 -2.29 -0.01 0.00 0.21 0.00 0.00 175.17 173.10 1jxf h ALA 50 N -1.32 0.00 -0.90 5.23 0.00 -1.97 -2.35 119.26 117.95 1jxf h ALA 50 Ca -0.49 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 54.62 1jxf h ALA 50 Cb 1.31 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1jxf h ALA 50 CO 0.62 0.03 0.30 -0.44 0.00 0.00 0.00 179.25 179.77 1jxf h ASP 51 N -0.52 0.11 -0.12 0.00 3.32 -1.98 1.73 116.42 118.96 1jxf h ASP 51 Ca 0.00 0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1jxf h ASP 51 Cb 0.03 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1jxf h ASP 51 CO 0.00 -0.15 -0.16 0.74 -1.72 0.00 0.00 179.24 177.95 1jxf h THR 52 N 0.24 1.24 0.00 0.35 2.02 -1.97 -1.62 112.91 113.16 1jxf h THR 52 Ca 0.59 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1jxf h THR 52 Cb 1.21 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1jxf h THR 52 CO -0.64 0.36 0.00 0.00 0.37 0.00 0.00 175.52 175.61 1jxf h ALA 53 N 1.37 1.00 -0.09 6.16 0.00 0.25 -2.66 119.26 125.29 1jxf h ALA 53 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1jxf h ALA 53 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jxf h ALA 53 CO 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.95 1jxf h ALA 54 N 2.02 0.16 -0.43 0.00 0.00 0.27 0.58 119.26 121.87 1jxf h ALA 54 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1jxf h ALA 54 Cb 0.97 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1jxf h ALA 54 CO 0.00 0.23 -0.00 -0.22 0.00 0.00 0.00 179.25 179.26 1jxf h LYS 55 N -0.06 0.76 0.00 0.00 3.64 -1.37 -2.40 116.57 117.14 1jxf h LYS 55 Ca -0.02 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.05 1jxf h LYS 55 Cb 0.97 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1jxf h LYS 55 CO 0.07 0.83 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.69 1jxf h LEU 56 N 0.60 0.00-10.11 5.20 4.07 -1.49 -3.45 115.31 110.13 1jxf h LEU 56 Ca 0.12 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.61 1jxf h LEU 56 Cb 0.49 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.26 1jxf h LEU 56 CO 0.02 0.33 0.38 -0.44 -1.08 0.00 0.00 178.44 177.65 1jxf s SER 57 N -6.33 6.31 -0.33 -0.43 0.01 0.20 -4.71 113.70 108.42 1jxf s SER 57 Ca 0.01 1.84 0.01 0.00 1.31 0.00 0.00 55.95 59.12 1jxf s SER 57 Cb 0.10 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.88 1jxf s SER 57 CO 0.67 -0.80 0.08 -1.00 0.41 0.00 0.00 173.24 172.60 1jxf s HIS 58 N -2.18 2.58 -0.60 2.43 3.76 0.27 -4.87 115.29 116.69 1jxf s HIS 58 Ca 0.65 -2.29 -0.02 0.00 -0.15 0.00 0.00 55.06 53.26 1jxf s HIS 58 Cb -0.15 -2.23 0.39 0.00 1.11 0.00 0.00 32.58 31.70 1jxf s HIS 58 CO 0.24 -0.91 2.04 1.63 -0.85 0.00 0.00 174.74 176.90 1jxf n LYS 59 N 4.57 2.50 -4.40 1.40 5.02 -1.26 -3.39 118.16 122.59 1jxf n LYS 59 Ca 0.01 -2.92 -0.28 0.00 -2.02 0.00 0.00 58.31 53.10 1jxf n LYS 59 Cb 0.42 -2.14 -0.12 0.00 -0.02 0.00 0.00 35.03 33.16 1jxf n LYS 59 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jxf s GLY 60 N -1.35 1.65 0.42 0.72 0.00 -1.26 -5.12 107.32 102.39 1jxf s GLY 60 Ca 0.57 -1.56 -0.06 0.00 0.00 0.00 0.00 44.72 43.68 1jxf s GLY 60 CO -0.03 -1.56 0.72 1.08 0.00 0.00 0.00 173.10 173.31 1jxf s LEU 61 N -2.40 3.78 -0.20 0.66 2.01 -1.26 -4.68 118.68 116.59 1jxf s LEU 61 Ca 0.18 0.89 -0.04 0.00 0.01 0.00 0.00 54.13 55.17 1jxf s LEU 61 Cb -0.09 -3.80 0.07 0.00 0.01 0.00 0.00 46.19 42.38 1jxf s LEU 61 CO 0.08 -0.45 0.09 0.00 1.01 0.00 0.00 176.35 177.08 1jxf s ALA 62 N -2.52 0.59 -0.40 4.21 0.00 -1.26 -5.01 121.76 117.36 1jxf s ALA 62 Ca 0.47 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.93 1jxf s ALA 62 Cb -0.10 -1.14 0.43 0.00 0.00 0.00 0.00 23.12 22.31 1jxf s ALA 62 CO 0.39 -1.27 1.18 1.19 0.00 0.00 0.00 175.76 177.24 1jxf n PHE 63 N 5.22 3.16 -3.69 0.00 3.01 -1.26 -3.91 117.46 119.99 1jxf n PHE 63 Ca -0.07 -2.77 -0.18 0.00 1.01 0.00 0.00 57.45 55.44 1jxf n PHE 63 Cb 0.47 -0.23 -0.17 0.00 -0.01 0.00 0.00 39.48 39.55 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jxf s ALA 64 N -3.58 0.07 -0.18 4.37 0.00 -1.26 -5.10 121.76 116.08 1jxf s ALA 64 Ca 0.49 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1jxf s ALA 64 Cb 0.41 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1jxf s ALA 64 CO -0.11 -0.41 1.92 0.00 0.00 0.00 0.00 175.76 177.16 1jxf s ALA 65 N 1.92 3.10 0.00 0.00 0.00 -1.26 -2.07 121.76 123.45 1jxf s ALA 65 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1jxf s ALA 65 Cb -0.12 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1jxf s ALA 65 CO -0.04 -2.24 0.00 0.41 0.00 0.00 0.00 175.76 173.89 1jxf n GLY 66 N 5.10 1.77 3.76 0.00 0.00 -1.26 -5.10 105.19 109.48 1jxf n GLY 66 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.41 4.57 -0.10 1.61 0.41 -0.88 -4.83 118.70 119.08 1jxf s GLU 67 Ca 0.00 1.62 -0.04 0.00 -0.41 0.00 0.00 54.97 56.14 1jxf s GLU 67 Cb 0.00 -3.02 0.05 0.00 -1.78 0.00 0.00 34.13 29.38 1jxf s GLU 67 CO 0.00 0.21 0.21 -1.54 -0.49 0.00 0.00 175.26 173.64 1jxf s SER 68 N -1.18 0.36 0.60 -0.19 1.04 -1.26 -0.67 113.70 112.40 1jxf s SER 68 Ca 0.47 0.45 0.05 0.00 0.48 0.00 0.00 55.95 57.41 1jxf s SER 68 Cb -0.27 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.37 1jxf s SER 68 CO 0.34 -0.22 0.82 -0.36 0.98 0.00 0.00 173.24 174.80 1jxf s PHE 69 N 2.06 1.83 0.01 5.02 0.08 -1.25 -4.81 117.98 120.91 1jxf s PHE 69 Ca -0.01 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.61 1jxf s PHE 69 Cb -0.12 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.78 1jxf s PHE 69 CO -0.07 -1.19 -0.08 0.99 -0.10 0.00 0.00 175.22 174.77 1jxf s THR 70 N -2.78 0.60 -0.02 0.64 2.01 -1.26 -1.77 115.64 113.06 1jxf s THR 70 Ca 0.62 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1jxf s THR 70 Cb -0.07 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1jxf s THR 70 CO 0.40 0.02 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.74 1jxf s SER 71 N -0.57 0.88 -0.35 3.53 0.15 -0.59 -4.96 113.70 111.79 1jxf s SER 71 Ca -0.00 -0.13 -0.24 0.00 0.70 0.00 0.00 55.95 56.27 1jxf s SER 71 Cb -0.05 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1jxf s SER 71 CO 0.00 0.03 0.85 -0.89 1.20 0.00 0.00 173.24 174.43 1jxf s THR 72 N 0.27 4.68 -0.99 6.45 2.01 -1.26 -1.43 115.64 125.38 1jxf s THR 72 Ca -0.03 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.06 1jxf s THR 72 Cb -0.08 -4.25 0.32 0.00 0.01 0.00 0.00 72.50 68.50 1jxf s THR 72 CO -0.00 -0.43 1.67 0.49 -0.69 0.00 0.00 174.62 175.66 1jxf n PHE 73 N 6.52 2.81 0.00 4.92 3.01 0.57 -4.74 117.46 130.55 1jxf n PHE 73 Ca 0.05 -2.72 0.00 0.00 1.01 0.00 0.00 57.45 55.79 1jxf n PHE 73 Cb 0.48 -1.13 0.00 0.00 -0.01 0.00 0.00 39.48 38.82 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 0.18 0.00 -1.67 4.37 -2.24 -1.26 -0.23 114.28 113.43 1jxf n THR 74 Ca 0.42 0.50 -0.45 0.00 -2.27 0.00 0.00 64.05 62.24 1jxf n THR 74 Cb 0.29 -1.49 -0.04 0.00 -2.10 0.00 0.00 70.33 66.99 1jxf n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jxf n GLU 75 N -2.17 2.52 -2.30 -0.78 0.00 -1.26 -3.77 120.64 112.88 1jxf n GLU 75 Ca 0.00 0.92 -0.40 0.00 0.00 0.00 0.00 57.16 57.69 1jxf n GLU 75 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 31.44 28.59 1jxf n GLU 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1jxf s PRO 76 N 4.03 2.91 0.00 5.31 0.04 -1.26 -4.77 135.00 141.26 1jxf s PRO 76 Ca 0.90 0.18 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1jxf s PRO 76 Cb -0.57 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1jxf s PRO 76 CO 0.46 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1jxf n GLY 77 N 5.54 4.42 2.58 0.56 0.00 -1.24 -4.94 105.19 112.11 1jxf n GLY 77 Ca 0.12 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 0.20 -0.08 -0.00 2.61 2.01 -1.26 -2.66 115.64 116.46 1jxf s THR 78 Ca 0.00 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1jxf s THR 78 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1jxf s THR 78 CO 0.00 -0.50 0.23 -0.31 -0.69 0.00 0.00 174.62 173.34 1jxf s TYR 79 N 2.12 3.57 -0.22 4.92 1.51 -1.18 -4.11 117.35 123.96 1jxf s TYR 79 Ca 0.05 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.61 1jxf s TYR 79 Cb -0.16 -1.92 0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1jxf s TYR 79 CO -0.23 0.63 -0.06 0.95 -1.11 0.00 0.00 175.55 175.73 1jxf s THR 80 N -1.30 1.53 -0.06 -0.71 -4.23 -1.26 -0.93 115.64 108.69 1jxf s THR 80 Ca 0.27 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1jxf s THR 80 Cb -0.13 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 1jxf s THR 80 CO 0.16 -0.03 -0.10 -0.72 -0.54 0.00 0.00 174.62 173.40 1jxf s TYR 81 N 1.41 2.84 0.35 3.99 1.13 -1.03 -1.00 117.35 125.03 1jxf s TYR 81 Ca -0.04 -0.08 0.07 0.00 -1.41 0.00 0.00 57.07 55.61 1jxf s TYR 81 Cb -0.18 -1.69 -0.03 0.00 -1.10 0.00 0.00 41.96 38.96 1jxf s TYR 81 CO -0.07 0.25 0.26 1.52 -2.51 0.00 0.00 175.55 175.00 1jxf s TYR 82 N -0.71 1.78 -0.00 -3.49 -0.85 -0.93 -0.25 117.35 112.88 1jxf s TYR 82 Ca 0.11 -1.63 -0.29 0.00 -0.52 0.00 0.00 57.07 54.74 1jxf s TYR 82 Cb -0.11 -0.78 -0.03 0.00 0.38 0.00 0.00 41.96 41.41 1jxf s TYR 82 CO 0.01 -0.80 0.94 0.00 -1.52 0.00 0.00 175.55 174.18 1jxf h GLU 84 N 6.73 -0.08 0.06 0.00 4.81 -1.94 0.21 114.58 124.37 1jxf h GLU 84 Ca -0.41 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1jxf h GLU 84 Cb 1.22 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1jxf h GLU 84 CO 0.75 -0.05 -0.03 -1.00 -0.73 0.00 0.00 179.01 177.95 1jxf h PRO 85 N -0.08 -0.08 -1.80 0.92 0.13 -1.94 -3.28 132.00 125.88 1jxf h PRO 85 Ca 0.06 0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.86 1jxf h PRO 85 Cb 0.17 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.19 1jxf h PRO 85 CO -0.14 0.53 0.27 0.72 -0.23 0.00 0.00 178.00 179.14 1jxf n HIS 86 N -4.79 1.21 0.34 1.56 8.25 -1.21 -4.52 115.22 116.07 1jxf n HIS 86 Ca -0.08 -1.81 -0.16 0.00 -0.26 0.00 0.00 57.72 55.42 1jxf n HIS 86 Cb 0.31 -1.14 -0.08 0.00 1.12 0.00 0.00 29.99 30.20 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 2.15 -0.86 -2.44 -0.41 2.43 -0.64 -3.31 114.38 111.30 1jxf h ARG 87 Ca 0.29 0.06 -0.76 0.00 -0.81 0.00 0.00 59.98 58.75 1jxf h ARG 87 Cb 0.93 0.19 -0.30 0.00 -0.42 0.00 0.00 29.97 30.37 1jxf h ARG 87 CO 0.66 -0.53 0.62 0.41 -1.51 0.00 0.00 179.97 179.62 1jxf n GLY 88 N -0.85 5.70 1.01 2.80 0.00 -1.26 -4.44 105.19 108.15 1jxf n GLY 88 Ca -0.12 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.25 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 0.38 2.63 0.00 4.61 0.00 -1.25 -5.05 120.51 121.83 1jxf n ALA 89 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1jxf n ALA 89 Cb 0.31 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 2.18 0.00 2.63 0.00 0.00 -1.26 -5.14 105.19 103.60 1jxf n GLY 90 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.01 1.61 0.00 -1.26 -5.01 119.30 114.92 1jxf s MET 91 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 55.69 55.15 1jxf s MET 91 Cb 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 34.83 33.88 1jxf s MET 91 CO 0.00 -1.04 0.18 0.08 0.00 0.00 0.00 175.02 174.24 1jxf s VAL 92 N 2.11 0.08 0.16 10.11 1.01 -1.26 -3.20 120.40 129.41 1jxf s VAL 92 Ca 0.10 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1jxf s VAL 92 Cb -0.16 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1jxf s VAL 92 CO -0.32 -0.38 -0.14 -0.83 0.00 0.00 0.00 175.10 173.43 1jxf s GLY 93 N -1.50 1.25 0.25 4.51 0.00 0.65 -4.85 107.32 107.63 1jxf s GLY 93 Ca -0.13 -1.48 0.11 0.00 0.00 0.00 0.00 44.72 43.22 1jxf s GLY 93 CO 0.01 -1.56 -0.17 1.25 0.00 0.00 0.00 173.10 172.64 1jxf s LYS 94 N -3.18 1.77 0.01 2.90 2.20 -0.10 -2.46 119.74 120.88 1jxf s LYS 94 Ca 0.16 -1.61 -0.01 0.00 -0.36 0.00 0.00 55.97 54.15 1jxf s LYS 94 Cb -0.03 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 1jxf s LYS 94 CO 0.04 0.36 0.00 0.08 -0.36 0.00 0.00 175.35 175.48 1jxf s VAL 95 N -2.19 0.07 -0.26 4.02 1.01 -0.11 -3.78 120.40 119.17 1jxf s VAL 95 Ca 0.27 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1jxf s VAL 95 Cb -0.06 -0.22 0.11 0.00 0.00 0.00 0.00 36.38 36.22 1jxf s VAL 95 CO 0.14 -0.34 0.24 -0.69 0.00 0.00 0.00 175.10 174.45 1jxf s VAL 96 N -1.02 -0.32 -0.03 2.92 1.01 -0.99 -3.07 120.40 118.90 1jxf s VAL 96 Ca -0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1jxf s VAL 96 Cb -0.07 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1jxf s VAL 96 CO -0.00 -0.41 0.33 -0.69 0.00 0.00 0.00 175.10 174.32 1jxf s VAL 97 N 2.30 5.17 -0.62 2.92 1.01 -1.09 -3.44 120.40 126.65 1jxf s VAL 97 Ca 0.08 0.64 0.05 0.00 0.00 0.00 0.00 61.98 62.76 1jxf s VAL 97 Cb -0.15 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1jxf s VAL 97 CO -0.26 0.58 0.66 -0.67 0.00 0.00 0.00 175.10 175.41