#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 1.34 0.35 0.00 6.03 -1.26 -4.82 114.94 116.57 1jxf s ASN 2 Ca 0.00 -1.64 -0.26 0.00 -1.03 0.00 0.00 52.86 49.93 1jxf s ASN 2 Cb 0.00 0.63 -0.09 0.00 -3.03 0.00 0.00 41.25 38.76 1jxf s ASN 2 CO 0.00 -1.22 1.01 0.00 -2.03 0.00 0.00 177.10 174.86 1jxf s ALA 3 N -3.14 3.19 -0.11 3.54 0.00 -1.14 -4.92 121.76 119.18 1jxf s ALA 3 Ca 0.35 0.65 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 1jxf s ALA 3 Cb 0.01 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1jxf s ALA 3 CO 0.25 -0.03 -0.10 0.99 0.00 0.00 0.00 175.76 176.87 1jxf s THR 4 N -1.56 3.38 -0.29 0.00 2.01 -1.26 -1.27 115.64 116.65 1jxf s THR 4 Ca 0.52 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 1jxf s THR 4 Cb -0.22 -2.41 0.12 0.00 0.01 0.00 0.00 72.50 70.00 1jxf s THR 4 CO 0.28 0.54 0.24 -0.69 -0.69 0.00 0.00 174.62 174.30 1jxf s VAL 5 N -0.07 -0.28 0.31 3.82 1.01 -0.60 -4.19 120.40 120.39 1jxf s VAL 5 Ca -0.01 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1jxf s VAL 5 Cb -0.14 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 1jxf s VAL 5 CO 0.03 -0.57 0.82 -0.54 0.00 0.00 0.00 175.10 174.85 1jxf s LYS 6 N 2.24 4.27 0.00 2.72 1.02 -1.14 -2.50 119.74 126.35 1jxf s LYS 6 Ca 0.10 0.98 0.00 0.00 0.02 0.00 0.00 55.97 57.07 1jxf s LYS 6 Cb -0.15 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1jxf s LYS 6 CO -0.33 0.24 0.00 -1.33 -0.92 0.00 0.00 175.35 173.01 1jxf n MET 7 N 0.20 0.05 -1.09 1.68 2.81 0.32 -3.85 117.12 117.24 1jxf n MET 7 Ca 0.02 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 1jxf n MET 7 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.97 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 3.16 -0.38 3.51 3.03 0.00 -1.26 -4.73 105.19 108.52 1jxf n GLY 8 Ca 0.00 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jxf n SER 9 N 1.16 -0.10 -2.94 1.61 3.41 0.04 -3.94 113.62 112.87 1jxf n SER 9 Ca 0.14 0.99 -0.27 0.00 -0.26 0.00 0.00 58.87 59.48 1jxf n SER 9 Cb 0.08 -1.18 -0.06 0.00 -0.26 0.00 0.00 64.21 62.79 1jxf n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jxf n ASP 10 N 1.12 6.63 0.00 4.04 5.75 -1.26 -3.75 116.55 129.08 1jxf n ASP 10 Ca 0.11 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1jxf n ASP 10 Cb 0.37 -1.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 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 3.46 0.00 0.00 -1.12 2.88 -1.26 -5.06 113.62 112.52 1jxf n SER 11 Ca 0.59 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1jxf n SER 11 Cb 0.35 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.50 0.00 2.83 0.46 0.00 -1.25 -5.12 105.19 102.62 1jxf n GLY 12 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.29 -0.73 4.61 0.00 -1.26 -5.06 121.76 119.03 1jxf s ALA 13 Ca 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.18 1jxf s ALA 13 Cb 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 22.05 1jxf s ALA 13 CO 0.00 -0.92 1.16 -0.48 0.00 0.00 0.00 175.76 175.52 1jxf s LEU 14 N 2.34 3.74 -0.06 0.00 2.34 -1.26 -0.78 118.68 124.99 1jxf s LEU 14 Ca 0.05 -0.77 -0.07 0.00 0.06 0.00 0.00 54.13 53.39 1jxf s LEU 14 Cb -0.14 -2.50 0.02 0.00 -0.56 0.00 0.00 46.19 43.01 1jxf s LEU 14 CO -0.10 -1.64 0.19 0.68 -1.06 0.00 0.00 176.35 174.42 1jxf s VAL 15 N 4.92 0.02 -0.14 1.48 -7.23 -1.26 -4.51 120.40 113.68 1jxf s VAL 15 Ca 0.30 -0.13 -0.21 0.00 -1.81 0.00 0.00 61.98 60.13 1jxf s VAL 15 Cb -0.11 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 1jxf s VAL 15 CO 0.11 -0.07 0.63 -0.36 -0.31 0.00 0.00 175.10 175.09 1jxf s PHE 16 N -0.19 3.47 -0.03 2.82 0.08 -1.26 -4.05 117.98 118.81 1jxf s PHE 16 Ca -0.03 1.03 -0.01 0.00 0.12 0.00 0.00 56.93 58.04 1jxf s PHE 16 Cb -0.03 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.70 1jxf s PHE 16 CO 0.01 -0.02 0.06 -2.00 -0.10 0.00 0.00 175.22 173.17 1jxf s GLU 17 N 1.29 0.01 0.12 0.44 2.12 -1.25 -1.43 118.70 120.00 1jxf s GLU 17 Ca 0.31 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.56 1jxf s GLU 17 Cb -0.16 -0.20 -0.07 0.00 0.26 0.00 0.00 34.13 33.96 1jxf s GLU 17 CO 0.13 -0.15 1.15 -1.25 -0.54 0.00 0.00 175.26 174.60 1jxf s PRO 18 N 0.97 4.51 0.44 4.30 0.04 -1.26 -2.88 135.00 141.12 1jxf s PRO 18 Ca -0.08 1.74 0.29 0.00 0.04 0.00 0.00 61.00 63.00 1jxf s PRO 18 Cb -0.11 -3.31 1.41 0.00 0.04 0.00 0.00 34.50 32.53 1jxf s PRO 18 CO -0.03 -0.09 1.63 1.03 0.04 0.00 0.00 177.00 179.58 1jxf h SER 19 N 5.92 0.25 -3.45 6.66 0.87 -1.59 -3.36 113.55 118.84 1jxf h SER 19 Ca -0.43 0.13 -0.37 0.00 -1.23 0.00 0.00 61.79 59.89 1jxf h SER 19 Cb 1.21 0.12 -0.35 0.00 -0.44 0.00 0.00 62.40 62.95 1jxf h SER 19 CO 0.76 -0.16 -0.76 -0.89 -0.53 0.00 0.00 176.83 175.25 1jxf s THR 20 N -5.31 0.28 0.03 2.23 2.01 -1.26 -0.77 115.64 112.85 1jxf s THR 20 Ca -0.08 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1jxf s THR 20 Cb 0.29 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 1jxf s THR 20 CO 0.82 0.18 -0.20 0.68 -0.69 0.00 0.00 174.62 175.41 1jxf s VAL 21 N 1.14 1.61 -0.27 3.82 -7.23 -1.14 -5.04 120.40 113.29 1jxf s VAL 21 Ca -0.08 -1.09 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1jxf s VAL 21 Cb -0.14 -1.39 0.07 0.00 0.56 0.00 0.00 36.38 35.49 1jxf s VAL 21 CO -0.02 0.26 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.09 1jxf s THR 22 N -0.71 1.91 0.53 5.32 2.01 -1.26 -1.82 115.64 121.62 1jxf s THR 22 Ca 0.07 -1.59 0.01 0.00 0.31 0.00 0.00 61.69 60.49 1jxf s THR 22 Cb -0.08 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.29 1jxf s THR 22 CO 0.01 -0.17 0.12 2.30 -0.69 0.00 0.00 174.62 176.19 1jxf n ILE 23 N 4.50 0.00 -1.72 1.82 -5.35 -0.96 -5.04 119.36 112.61 1jxf n ILE 23 Ca -0.10 -2.36 -0.30 0.00 -0.27 0.00 0.00 62.75 59.73 1jxf n ILE 23 Cb 0.43 0.34 0.19 0.00 -1.74 0.00 0.00 39.64 38.86 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 -3.97 0.27 -0.57 6.28 1.02 -1.26 -2.72 119.74 118.78 1jxf s LYS 24 Ca 0.09 -0.28 -0.15 0.00 0.02 0.00 0.00 55.97 55.65 1jxf s LYS 24 Cb -0.01 -1.79 0.14 0.00 -0.52 0.00 0.00 37.83 35.65 1jxf s LYS 24 CO 0.06 -2.68 0.52 0.00 -0.92 0.00 0.00 175.35 172.33 1jxf s ALA 25 N -3.65 3.69 0.00 5.17 0.00 -1.06 -4.06 121.76 121.85 1jxf s ALA 25 Ca 0.72 -2.65 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1jxf s ALA 25 Cb -0.06 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1jxf s ALA 25 CO 0.54 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1jxf n GLY 26 N 5.03 1.10 3.78 0.00 0.00 -0.94 -4.88 105.19 109.28 1jxf n GLY 26 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.49 0.44 1.61 2.56 -1.26 -4.58 118.70 116.98 1jxf s GLU 27 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 54.97 54.61 1jxf s GLU 27 Cb 0.00 -1.71 -0.03 0.00 2.00 0.00 0.00 34.13 34.39 1jxf s GLU 27 CO 0.00 -3.17 0.05 -1.83 -0.56 0.00 0.00 175.26 169.75 1jxf s GLU 28 N -5.77 2.02 0.13 4.30 1.03 -1.26 -1.21 118.70 117.94 1jxf s GLU 28 Ca 0.75 -2.24 0.05 0.00 0.03 0.00 0.00 54.97 53.56 1jxf s GLU 28 Cb -0.04 -1.17 -0.04 0.00 -0.80 0.00 0.00 34.13 32.07 1jxf s GLU 28 CO 0.55 -0.34 -0.12 0.08 -1.33 0.00 0.00 175.26 174.10 1jxf s VAL 29 N -3.01 1.24 0.01 1.83 1.01 -0.33 -2.91 120.40 118.24 1jxf s VAL 29 Ca 0.19 -1.88 0.06 0.00 0.00 0.00 0.00 61.98 60.35 1jxf s VAL 29 Cb 0.04 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1jxf s VAL 29 CO 0.10 -0.58 -0.18 -0.75 0.00 0.00 0.00 175.10 173.69 1jxf s LYS 30 N -3.18 1.36 0.25 2.72 2.20 -0.39 -1.86 119.74 120.84 1jxf s LYS 30 Ca 0.12 -0.71 0.09 0.00 -0.36 0.00 0.00 55.97 55.11 1jxf s LYS 30 Cb -0.01 -1.36 -0.04 0.00 -1.51 0.00 0.00 37.83 34.91 1jxf s LYS 30 CO 0.02 0.36 0.02 -1.58 -0.36 0.00 0.00 175.35 173.81 1jxf s TRP 31 N -0.55 2.76 -0.15 4.03 0.51 -0.51 -1.55 118.94 123.48 1jxf s TRP 31 Ca 0.06 -0.20 -0.04 0.00 -2.12 0.00 0.00 56.10 53.80 1jxf s TRP 31 Cb -0.07 -1.24 0.05 0.00 -0.81 0.00 0.00 33.47 31.40 1jxf s TRP 31 CO 0.00 0.60 0.08 0.08 -0.51 0.00 0.00 176.95 177.19 1jxf s VAL 32 N -2.23 -0.01 0.26 4.03 1.01 -1.04 -3.48 120.40 118.95 1jxf s VAL 32 Ca 0.31 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1jxf s VAL 32 Cb -0.07 -0.55 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 1jxf s VAL 32 CO 0.20 -0.18 1.01 0.21 0.00 0.00 0.00 175.10 176.34 1jxf s ASN 33 N 2.11 7.47 0.00 3.32 2.47 -1.22 0.12 114.94 129.21 1jxf s ASN 33 Ca 0.02 2.08 0.00 0.00 0.42 0.00 0.00 52.86 55.38 1jxf s ASN 33 Cb -0.15 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 1jxf s ASN 33 CO -0.08 0.02 0.00 0.59 -3.72 0.00 0.00 177.10 173.91 1jxf n ASN 34 N 1.32 0.00 -3.43 -4.21 3.02 -1.26 -4.53 115.26 106.17 1jxf n ASN 34 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.32 1jxf n ASN 34 Cb 0.46 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.29 0.48 -1.87 3.52 4.76 -1.25 -4.98 118.16 118.53 1jxf n LYS 35 Ca 0.00 -3.23 -0.00 0.00 -2.87 0.00 0.00 58.31 52.21 1jxf n LYS 35 Cb 0.00 2.22 0.00 0.00 -1.84 0.00 0.00 35.03 35.41 1jxf n LYS 35 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jxf n LEU 36 N 0.00 -3.13 -4.49 -0.35 4.77 -1.26 -4.37 117.00 108.17 1jxf n LEU 36 Ca 0.01 -0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1jxf n LEU 36 Cb 0.58 -1.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.02 1jxf n LEU 36 CO 0.30 -0.26 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.14 1jxf s SER 37 N -2.24 3.42 0.27 -1.43 0.15 -1.26 -3.78 113.70 108.82 1jxf s SER 37 Ca 0.00 -1.14 -0.30 0.00 0.70 0.00 0.00 55.95 55.22 1jxf s SER 37 Cb -0.00 -0.28 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 1jxf s SER 37 CO 0.18 -0.16 1.08 -2.16 1.20 0.00 0.00 173.24 173.37 1jxf s PRO 38 N -3.61 4.66 -0.25 5.44 0.04 -1.26 -5.14 135.00 134.88 1jxf s PRO 38 Ca 0.30 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 1jxf s PRO 38 Cb 0.01 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.43 1jxf s PRO 38 CO 0.14 0.24 0.12 -1.01 0.04 0.00 0.00 177.00 176.54 1jxf s HIS 39 N -1.14 0.27 0.69 0.56 3.76 -1.25 -4.66 115.29 113.53 1jxf s HIS 39 Ca 0.44 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.69 1jxf s HIS 39 Cb -0.31 -0.83 0.13 0.00 1.11 0.00 0.00 32.58 32.68 1jxf s HIS 39 CO 0.40 -0.74 0.95 0.09 -0.85 0.00 0.00 174.74 174.59 1jxf n ASN 40 N 5.26 1.68 -4.07 1.40 3.02 -1.26 -4.56 115.26 116.72 1jxf n ASN 40 Ca -0.06 -2.33 -0.32 0.00 -0.03 0.00 0.00 54.58 51.84 1jxf n ASN 40 Cb 0.44 -0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 38.88 1jxf n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jxf s ILE 41 N -3.00 2.00 -0.11 2.41 1.01 -0.95 -4.00 121.20 118.56 1jxf s ILE 41 Ca 0.66 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1jxf s ILE 41 Cb -0.04 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1jxf s ILE 41 CO 0.43 0.26 -0.16 0.68 0.00 0.00 0.00 174.94 176.15 1jxf s VAL 42 N 1.25 1.59 -0.55 2.92 -7.23 -0.89 -1.98 120.40 115.52 1jxf s VAL 42 Ca -0.01 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.28 1jxf s VAL 42 Cb -0.16 -1.45 0.10 0.00 0.56 0.00 0.00 36.38 35.43 1jxf s VAL 42 CO -0.09 0.46 0.61 -0.36 -0.31 0.00 0.00 175.10 175.40 1jxf s PHE 43 N 0.95 3.09 -0.53 2.82 0.08 -1.26 -2.11 117.98 121.02 1jxf s PHE 43 Ca -0.07 -0.97 -0.28 0.00 0.12 0.00 0.00 56.93 55.73 1jxf s PHE 43 Cb -0.15 -3.79 0.03 0.00 -0.57 0.00 0.00 43.02 38.54 1jxf s PHE 43 CO -0.02 -1.13 1.24 0.00 -0.10 0.00 0.00 175.22 175.21 1jxf s ALA 44 N 2.29 3.01 -0.88 5.36 0.00 -0.23 -4.72 121.76 126.59 1jxf s ALA 44 Ca 0.09 -0.64 -0.24 0.00 0.00 0.00 0.00 51.96 51.17 1jxf s ALA 44 Cb -0.25 -4.00 -0.22 0.00 0.00 0.00 0.00 23.12 18.65 1jxf s ALA 44 CO 0.06 -2.58 2.47 0.00 0.00 0.00 0.00 175.76 175.72 1jxf n ALA 45 N 8.52 0.61 -3.68 0.00 0.00 -1.26 -4.22 120.51 120.48 1jxf n ALA 45 Ca 0.11 -0.67 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 1jxf n ALA 45 Cb 0.49 -2.59 -0.10 0.00 0.00 0.00 0.00 19.45 17.25 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jxf n ASP 46 N 11.08 3.27 0.00 0.00 9.92 -1.26 -4.69 116.55 134.87 1jxf n ASP 46 Ca 0.59 -3.30 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 1jxf n ASP 46 Cb 0.20 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jxf n GLY 47 N 1.47 1.66 4.03 0.44 0.00 -1.26 -4.78 105.19 106.75 1jxf n GLY 47 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 1jxf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxf s VAL 48 N -1.85 2.43 0.42 1.61 0.11 -1.26 -4.86 120.40 117.00 1jxf s VAL 48 Ca 0.00 -1.00 -0.23 0.00 -2.93 0.00 0.00 61.98 57.82 1jxf s VAL 48 Cb 0.00 -2.43 -0.09 0.00 -1.53 0.00 0.00 36.38 32.32 1jxf s VAL 48 CO 0.00 0.00 1.02 -1.81 -3.33 0.00 0.00 175.10 170.98 1jxf s ASP 49 N -4.56 6.74 0.04 3.54 1.01 -1.26 -4.83 116.67 117.35 1jxf s ASP 49 Ca 0.60 1.93 -0.25 0.00 0.71 0.00 0.00 52.55 55.53 1jxf s ASP 49 Cb -0.07 -2.57 -0.17 0.00 1.01 0.00 0.00 42.92 41.12 1jxf s ASP 49 CO 0.37 -0.50 1.50 0.00 0.21 0.00 0.00 175.17 176.74 1jxf h ALA 50 N 2.23 -0.19 -0.59 5.23 0.00 -1.96 0.72 119.26 124.69 1jxf h ALA 50 Ca -0.49 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.40 1jxf h ALA 50 Cb 1.21 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1jxf h ALA 50 CO 0.61 -0.51 -0.38 -0.44 0.00 0.00 0.00 179.25 178.53 1jxf h ASP 51 N -0.39 -1.32 0.33 0.00 5.19 -1.98 1.54 116.42 119.80 1jxf h ASP 51 Ca -0.02 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1jxf h ASP 51 Cb 0.31 0.63 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 1jxf h ASP 51 CO 0.03 -0.32 -0.20 0.74 -3.12 0.00 0.00 179.24 176.37 1jxf h THR 52 N -0.19 0.57 -0.03 0.35 2.02 -1.94 -0.43 112.91 113.27 1jxf h THR 52 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.40 1jxf h THR 52 Cb 0.56 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1jxf h THR 52 CO -0.69 0.00 0.14 0.00 0.37 0.00 0.00 175.52 175.34 1jxf h ALA 53 N 0.13 1.25 -0.02 6.16 0.00 0.65 0.25 119.26 127.68 1jxf h ALA 53 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jxf h ALA 53 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jxf h ALA 53 CO 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1jxf n ALA 54 N -2.07 -0.31 0.16 0.00 0.00 0.51 -0.34 120.51 118.47 1jxf n ALA 54 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1jxf n ALA 54 Cb 0.21 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.32 1jxf n ALA 54 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jxf h LYS 55 N 0.00 0.00 -0.08 0.00 1.57 -1.09 0.28 116.57 117.26 1jxf h LYS 55 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1jxf h LYS 55 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1jxf h LYS 55 CO 0.00 0.00 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.41 1jxf h LEU 56 N 0.00 0.17-10.02 2.94 -0.00 -0.51 -3.43 115.31 104.46 1jxf h LEU 56 Ca 0.09 -0.07 -0.48 0.00 -0.00 0.00 0.00 57.88 57.43 1jxf h LEU 56 Cb 0.38 -0.05 0.03 0.00 -0.00 0.00 0.00 40.66 41.02 1jxf h LEU 56 CO -0.00 0.56 0.41 -0.94 -0.00 0.00 0.00 178.44 178.46 1jxf s SER 57 N -6.89 6.51 -0.29 -0.43 1.04 0.98 -4.73 113.70 109.89 1jxf s SER 57 Ca -0.04 2.02 -0.01 0.00 0.48 0.00 0.00 55.95 58.39 1jxf s SER 57 Cb 0.14 -2.58 0.13 0.00 0.10 0.00 0.00 66.02 63.81 1jxf s SER 57 CO 0.76 -0.67 0.25 -1.38 0.98 0.00 0.00 173.24 173.18 1jxf s HIS 58 N -1.79 -0.24 0.00 5.02 -3.43 -0.83 -4.93 115.29 109.08 1jxf s HIS 58 Ca 0.63 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.51 1jxf s HIS 58 Cb -0.20 -0.59 0.00 0.00 -1.43 0.00 0.00 32.58 30.36 1jxf s HIS 58 CO 0.25 -0.90 0.19 1.63 -2.00 0.00 0.00 174.74 173.91 1jxf n LYS 59 N 5.28 0.00 -2.90 -0.38 5.02 -1.07 -2.23 118.16 121.88 1jxf n LYS 59 Ca -0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.24 1jxf n LYS 59 Cb 0.45 -0.63 -0.02 0.00 -0.02 0.00 0.00 35.03 34.81 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 1.12 -2.08 3.51 0.72 0.00 -1.26 -3.44 105.19 103.75 1jxf n GLY 60 Ca 0.00 0.68 -0.44 0.00 0.00 0.00 0.00 46.02 46.27 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 2.09 0.67 -4.24 0.99 7.99 -1.26 -4.73 117.00 118.50 1jxf n LEU 61 Ca -0.16 1.05 -0.38 0.00 -0.01 0.00 0.00 56.01 56.51 1jxf n LEU 61 Cb 0.27 -1.17 -0.11 0.00 -0.11 0.00 0.00 43.42 42.30 1jxf n LEU 61 CO 0.16 -2.24 -0.19 0.00 -1.51 0.00 0.00 177.39 173.61 1jxf s ALA 62 N -1.23 3.14 0.00 -1.18 0.00 -1.26 -4.83 121.76 116.40 1jxf s ALA 62 Ca 0.62 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1jxf s ALA 62 Cb -0.69 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1jxf s ALA 62 CO 0.58 -1.52 0.00 1.19 0.00 0.00 0.00 175.76 176.02 1jxf n PHE 63 N 4.81 0.00 -3.34 0.00 3.72 -1.26 -4.37 117.46 117.02 1jxf n PHE 63 Ca -0.10 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.96 1jxf n PHE 63 Cb 0.43 0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 39.06 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 -1.71 3.54 -0.09 4.37 0.00 -1.26 -5.05 121.76 121.57 1jxf s ALA 64 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 1jxf s ALA 64 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1jxf s ALA 64 CO 0.00 0.45 0.76 0.00 0.00 0.00 0.00 175.76 176.97 1jxf s ALA 65 N -1.62 3.36 0.00 0.00 0.00 -1.26 -3.80 121.76 118.44 1jxf s ALA 65 Ca 0.42 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1jxf s ALA 65 Cb -0.14 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1jxf s ALA 65 CO 0.20 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1jxf n GLY 66 N 3.19 1.46 3.49 0.00 0.00 -1.26 -5.07 105.19 107.00 1jxf n GLY 66 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1jxf n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jxf s GLU 67 N -0.19 3.23 -0.13 1.61 -6.30 -1.25 -4.99 118.70 110.70 1jxf s GLU 67 Ca 0.00 -0.51 -0.04 0.00 -2.50 0.00 0.00 54.97 51.92 1jxf s GLU 67 Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 34.13 29.98 1jxf s GLU 67 CO 0.00 -1.58 0.02 -1.12 0.02 0.00 0.00 175.26 172.59 1jxf s SER 68 N 3.12 5.30 0.50 -1.70 0.01 -1.26 -3.42 113.70 116.25 1jxf s SER 68 Ca 0.26 0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.67 1jxf s SER 68 Cb -0.15 -1.70 0.02 0.00 0.21 0.00 0.00 66.02 64.41 1jxf s SER 68 CO 0.15 0.28 0.38 -0.36 0.41 0.00 0.00 173.24 174.11 1jxf s PHE 69 N -0.31 1.95 0.06 2.43 0.08 -1.23 -4.91 117.98 116.05 1jxf s PHE 69 Ca 0.07 -0.74 -0.07 0.00 0.12 0.00 0.00 56.93 56.31 1jxf s PHE 69 Cb -0.12 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1jxf s PHE 69 CO 0.02 -0.35 0.13 0.99 -0.10 0.00 0.00 175.22 175.91 1jxf s THR 70 N -2.69 0.15 0.04 0.64 2.01 -1.26 -1.43 115.64 113.10 1jxf s THR 70 Ca 0.38 -1.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1jxf s THR 70 Cb -0.02 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 1jxf s THR 70 CO 0.23 -0.66 0.14 -0.55 -0.69 0.00 0.00 174.62 173.08 1jxf s SER 71 N -2.52 0.12 -0.37 3.53 0.15 -0.78 -4.87 113.70 108.97 1jxf s SER 71 Ca 0.01 -0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.09 1jxf s SER 71 Cb 0.03 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.62 1jxf s SER 71 CO -0.08 -0.53 0.18 -0.89 1.20 0.00 0.00 173.24 173.12 1jxf s THR 72 N -2.63 4.35 -0.63 6.45 2.01 -1.26 -1.19 115.64 122.73 1jxf s THR 72 Ca -0.05 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1jxf s THR 72 Cb -0.01 -3.44 0.27 0.00 0.01 0.00 0.00 72.50 69.33 1jxf s THR 72 CO -0.05 -0.23 2.24 0.49 -0.69 0.00 0.00 174.62 176.39 1jxf n PHE 73 N 4.94 2.45 0.15 4.92 3.01 -0.35 -4.64 117.46 127.94 1jxf n PHE 73 Ca -0.12 -2.32 -0.06 0.00 1.01 0.00 0.00 57.45 55.96 1jxf n PHE 73 Cb 0.46 -1.27 -0.03 0.00 -0.01 0.00 0.00 39.48 38.62 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 1.65 0.00 -2.50 4.37 2.02 -1.81 -2.51 112.91 114.14 1jxf h THR 74 Ca 0.49 -0.23 -0.53 0.00 0.77 0.00 0.00 66.41 66.92 1jxf h THR 74 Cb 0.50 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1jxf h THR 74 CO 1.22 0.00 1.14 -0.70 0.37 0.00 0.00 175.52 177.55 1jxf s GLU 75 N -3.19 4.15 -0.05 6.66 2.56 -1.26 -3.63 118.70 123.94 1jxf s GLU 75 Ca -0.06 2.55 -0.30 0.00 0.00 0.00 0.00 54.97 57.16 1jxf s GLU 75 Cb 0.01 -3.80 -0.04 0.00 2.00 0.00 0.00 34.13 32.30 1jxf s GLU 75 CO 0.18 -0.87 1.22 -1.25 -0.56 0.00 0.00 175.26 173.98 1jxf s PRO 76 N 3.37 4.35 0.00 4.30 0.04 -1.26 -4.87 135.00 140.93 1jxf s PRO 76 Ca 0.82 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1jxf s PRO 76 Cb -0.44 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1jxf s PRO 76 CO 0.37 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1jxf n GLY 77 N 3.38 -0.99 2.71 0.56 0.00 -1.21 -5.00 105.19 104.64 1jxf n GLY 77 Ca 0.11 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.00 -0.27 -0.13 2.61 2.01 -1.26 -2.75 115.64 111.85 1jxf s THR 78 Ca 0.00 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 1jxf s THR 78 Cb 0.00 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1jxf s THR 78 CO 0.00 -0.27 0.03 -0.31 -0.69 0.00 0.00 174.62 173.37 1jxf s TYR 79 N 2.28 3.21 -0.27 4.92 1.51 -1.20 -4.05 117.35 123.74 1jxf s TYR 79 Ca 0.06 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.18 1jxf s TYR 79 Cb -0.16 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1jxf s TYR 79 CO -0.15 0.31 0.03 0.99 -1.11 0.00 0.00 175.55 175.62 1jxf s THR 80 N -0.30 3.59 -0.07 -0.71 2.01 -1.26 -0.34 115.64 118.57 1jxf s THR 80 Ca 0.07 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.35 1jxf s THR 80 Cb -0.12 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 1jxf s THR 80 CO 0.02 0.15 -0.16 -0.72 -0.69 0.00 0.00 174.62 173.23 1jxf s TYR 81 N 1.45 2.68 0.35 4.92 1.13 -1.23 -1.06 117.35 125.58 1jxf s TYR 81 Ca 0.02 -0.32 0.02 0.00 -1.41 0.00 0.00 57.07 55.38 1jxf s TYR 81 Cb -0.17 -1.66 -0.01 0.00 -1.10 0.00 0.00 41.96 39.02 1jxf s TYR 81 CO -0.00 0.06 0.42 2.48 -2.51 0.00 0.00 175.55 176.00 1jxf n TYR 82 N 2.62 -1.23 -3.35 -3.49 0.18 -0.90 -0.54 117.16 110.46 1jxf n TYR 82 Ca -0.17 -2.54 -0.40 0.00 1.88 0.00 0.00 57.90 56.66 1jxf n TYR 82 Cb 0.52 0.46 -0.09 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 n GLU 84 N 5.48 -0.27 -0.81 0.00 1.02 -1.26 -0.02 120.64 124.78 1jxf n GLU 84 Ca -0.08 1.30 -0.14 0.00 -0.02 0.00 0.00 57.16 58.22 1jxf n GLU 84 Cb 0.50 -1.93 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 1jxf n GLU 84 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1jxf n PRO 85 N -5.18 1.85 0.00 3.49 -0.04 -1.26 -2.65 135.00 131.20 1jxf n PRO 85 Ca 0.06 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1jxf n PRO 85 Cb 0.29 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1jxf n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jxf n HIS 86 N 2.98 0.00 -3.17 0.54 8.25 0.97 -5.06 115.22 119.73 1jxf n HIS 86 Ca 0.40 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.45 1jxf n HIS 86 Cb 0.55 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1jxf n HIS 86 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1jxf s ARG 87 N 0.00 4.12 -0.15 -0.41 1.70 -1.08 -3.79 118.95 119.34 1jxf s ARG 87 Ca 0.00 0.47 0.00 0.00 -0.47 0.00 0.00 55.73 55.73 1jxf s ARG 87 Cb 0.00 -3.63 0.00 0.00 -0.57 0.00 0.00 34.95 30.75 1jxf s ARG 87 CO 0.00 -0.33 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 1jxf n GLY 88 N 4.14 0.33 0.08 3.88 0.00 -1.26 -4.93 105.19 107.43 1jxf n GLY 88 Ca -0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.75 1.63 0.00 4.61 0.00 -1.25 -5.03 120.51 119.73 1jxf n ALA 89 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1jxf n ALA 89 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 2.48 2.51 3.55 0.00 0.00 -1.26 -5.09 105.19 107.38 1jxf n GLY 90 Ca -0.28 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 3.10 0.22 1.61 -2.45 -1.26 -4.93 119.30 115.58 1jxf s MET 91 Ca 0.00 -0.16 -0.08 0.00 -1.25 0.00 0.00 55.69 54.20 1jxf s MET 91 Cb 0.00 -4.37 -0.02 0.00 1.25 0.00 0.00 34.83 31.69 1jxf s MET 91 CO 0.00 -2.31 0.32 0.08 1.05 0.00 0.00 175.02 174.16 1jxf s VAL 92 N 6.48 0.01 0.30 10.11 1.01 -1.26 -4.22 120.40 132.82 1jxf s VAL 92 Ca 0.44 -1.64 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1jxf s VAL 92 Cb -0.08 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 1jxf s VAL 92 CO 0.13 -0.03 0.01 -0.83 0.00 0.00 0.00 175.10 174.38 1jxf s GLY 93 N -3.07 1.93 -0.10 4.51 0.00 0.30 -4.30 107.32 106.59 1jxf s GLY 93 Ca 0.28 -1.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 1jxf s GLY 93 CO 0.09 -1.82 0.13 0.54 0.00 0.00 0.00 173.10 172.05 1jxf s LYS 94 N -3.82 0.03 0.05 2.90 -0.14 0.05 -3.54 119.74 115.27 1jxf s LYS 94 Ca 0.33 0.36 -0.06 0.00 -1.36 0.00 0.00 55.97 55.24 1jxf s LYS 94 Cb 0.07 -0.72 -0.05 0.00 -1.68 0.00 0.00 37.83 35.44 1jxf s LYS 94 CO 0.13 -0.42 0.31 0.08 -0.76 0.00 0.00 175.35 174.69 1jxf s VAL 95 N 2.24 5.24 -0.24 3.17 1.01 0.54 -2.89 120.40 129.47 1jxf s VAL 95 Ca 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1jxf s VAL 95 Cb -0.13 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 32.74 1jxf s VAL 95 CO -0.06 0.26 0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1jxf s VAL 96 N -1.42 -0.13 -0.07 2.92 1.01 -0.75 -3.28 120.40 118.68 1jxf s VAL 96 Ca 0.32 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1jxf s VAL 96 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1jxf s VAL 96 CO 0.19 -0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 174.08 1jxf s VAL 97 N 2.16 4.19 0.00 2.92 1.01 -1.11 -2.27 120.40 127.30 1jxf s VAL 97 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1jxf s VAL 97 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1jxf s VAL 97 CO -0.25 0.58 0.05 -0.67 0.00 0.00 0.00 175.10 174.80