#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 4.62 0.38 0.00 2.20 -1.26 -5.02 114.94 115.86 1jxf s ASN 2 Ca 0.00 1.35 -0.24 0.00 -0.94 0.00 0.00 52.86 53.03 1jxf s ASN 2 Cb 0.00 -2.10 -0.10 0.00 -2.00 0.00 0.00 41.25 37.05 1jxf s ASN 2 CO 0.00 -1.89 1.00 0.00 -2.94 0.00 0.00 177.10 173.27 1jxf s ALA 3 N -3.14 3.12 -0.03 3.54 0.00 -1.15 -4.94 121.76 119.15 1jxf s ALA 3 Ca 0.60 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1jxf s ALA 3 Cb -0.14 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1jxf s ALA 3 CO 0.54 -0.03 0.00 0.99 0.00 0.00 0.00 175.76 177.26 1jxf s THR 4 N -1.71 0.17 0.04 0.00 2.01 -1.26 -1.28 115.64 113.61 1jxf s THR 4 Ca 0.56 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.71 1jxf s THR 4 Cb -0.19 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1jxf s THR 4 CO 0.24 0.14 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.45 1jxf s VAL 5 N 1.03 1.44 -0.14 3.82 1.01 -0.74 -4.53 120.40 122.28 1jxf s VAL 5 Ca -0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 1jxf s VAL 5 Cb -0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1jxf s VAL 5 CO -0.02 0.12 -0.14 -1.59 0.00 0.00 0.00 175.10 173.48 1jxf s LYS 6 N -1.16 3.34 -0.53 2.72 -2.85 -0.65 -0.78 119.74 119.84 1jxf s LYS 6 Ca 0.05 -0.70 -0.02 0.00 -1.00 0.00 0.00 55.97 54.29 1jxf s LYS 6 Cb -0.08 -2.63 0.22 0.00 -2.06 0.00 0.00 37.83 33.27 1jxf s LYS 6 CO 0.02 0.16 2.33 0.00 0.10 0.00 0.00 175.35 177.96 1jxf n MET 7 N 3.66 2.36 0.00 1.78 0.00 -1.14 -3.21 117.12 120.57 1jxf n MET 7 Ca -0.18 -2.51 0.00 0.00 0.00 0.00 0.00 57.70 55.01 1jxf n MET 7 Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 33.22 31.69 1jxf n MET 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jxf n GLY 8 N 0.19 -0.15 3.46 3.17 0.00 -1.10 -4.58 105.19 106.19 1jxf n GLY 8 Ca 0.47 0.66 -0.39 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 -1.00 -3.23 1.61 3.41 -1.06 -4.52 113.62 108.82 1jxf n SER 9 Ca 0.00 0.78 -0.30 0.00 -0.26 0.00 0.00 58.87 59.08 1jxf n SER 9 Cb 0.00 -1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 62.77 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 0.71 6.88 0.15 4.04 5.75 -1.26 -3.46 116.55 129.36 1jxf n ASP 10 Ca 0.11 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1jxf n ASP 10 Cb 0.46 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 1jxf n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jxf n SER 11 N 3.87 -1.44 0.00 -1.12 7.64 -1.26 -5.07 113.62 116.24 1jxf n SER 11 Ca 0.62 0.54 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1jxf n SER 11 Cb 0.19 1.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.88 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 0.36 0.00 2.94 0.23 0.00 -1.23 -5.16 105.19 102.34 1jxf n GLY 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.36 -0.69 4.61 0.00 -1.26 -5.07 121.76 118.98 1jxf s ALA 13 Ca 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 1jxf s ALA 13 Cb 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1jxf s ALA 13 CO 0.00 -0.41 1.50 -0.48 0.00 0.00 0.00 175.76 176.37 1jxf s LEU 14 N 1.84 3.21 0.04 0.00 2.34 -1.26 -2.57 118.68 122.29 1jxf s LEU 14 Ca -0.03 -0.16 0.01 0.00 0.06 0.00 0.00 54.13 54.00 1jxf s LEU 14 Cb -0.12 -2.55 -0.03 0.00 -0.56 0.00 0.00 46.19 42.94 1jxf s LEU 14 CO -0.07 -2.04 -0.05 0.68 -1.06 0.00 0.00 176.35 173.81 1jxf s VAL 15 N 7.00 0.32 -0.48 1.48 -7.23 -1.26 -4.65 120.40 115.57 1jxf s VAL 15 Ca 0.47 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 59.22 1jxf s VAL 15 Cb -0.10 -0.83 0.11 0.00 0.56 0.00 0.00 36.38 36.12 1jxf s VAL 15 CO 0.17 -0.64 0.38 -0.36 -0.31 0.00 0.00 175.10 174.34 1jxf s PHE 16 N -2.31 3.33 -0.01 2.82 0.40 -1.26 -2.73 117.98 118.22 1jxf s PHE 16 Ca -0.05 -1.49 0.01 0.00 -0.60 0.00 0.00 56.93 54.79 1jxf s PHE 16 Cb -0.04 -3.42 0.00 0.00 0.51 0.00 0.00 43.02 40.08 1jxf s PHE 16 CO -0.03 -0.94 -0.04 -2.00 0.70 0.00 0.00 175.22 172.91 1jxf s GLU 17 N 1.48 0.43 0.13 0.44 2.12 -1.20 -1.70 118.70 120.40 1jxf s GLU 17 Ca 0.04 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.95 1jxf s GLU 17 Cb -0.26 -0.45 -0.07 0.00 0.26 0.00 0.00 34.13 33.61 1jxf s GLU 17 CO 0.02 0.04 1.14 -1.25 -0.54 0.00 0.00 175.26 174.67 1jxf s PRO 18 N 0.18 4.53 0.38 4.30 0.04 -1.26 -1.64 135.00 141.53 1jxf s PRO 18 Ca -0.02 1.73 0.10 0.00 0.04 0.00 0.00 61.00 62.86 1jxf s PRO 18 Cb -0.05 -3.31 0.88 0.00 0.04 0.00 0.00 34.50 32.06 1jxf s PRO 18 CO -0.00 -0.06 1.91 0.66 0.04 0.00 0.00 177.00 179.54 1jxf h SER 19 N 5.76 0.57 -3.13 6.66 4.64 -1.63 -3.38 113.55 123.05 1jxf h SER 19 Ca -0.43 0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.30 1jxf h SER 19 Cb 1.21 -0.09 -0.35 0.00 -0.31 0.00 0.00 62.40 62.86 1jxf h SER 19 CO 0.76 0.31 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.29 1jxf s THR 20 N -5.59 1.68 -0.08 2.95 2.01 -1.26 -0.18 115.64 115.17 1jxf s THR 20 Ca -0.09 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1jxf s THR 20 Cb 0.21 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 71.18 1jxf s THR 20 CO 0.78 0.48 -0.14 0.68 -0.69 0.00 0.00 174.62 175.72 1jxf s VAL 21 N 1.36 1.34 -0.21 3.82 -7.23 -1.20 -5.04 120.40 113.25 1jxf s VAL 21 Ca 0.03 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1jxf s VAL 21 Cb -0.13 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.63 1jxf s VAL 21 CO -0.10 0.40 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.04 1jxf s THR 22 N 0.70 2.08 0.48 5.32 2.01 -1.26 -1.98 115.64 122.99 1jxf s THR 22 Ca -0.13 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 60.69 1jxf s THR 22 Cb -0.16 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1jxf s THR 22 CO 0.03 0.33 0.02 2.30 -0.69 0.00 0.00 174.62 176.61 1jxf n ILE 23 N 4.56 0.00 -1.55 1.82 -5.35 -1.17 -5.03 119.36 112.64 1jxf n ILE 23 Ca -0.18 -2.32 -0.30 0.00 -0.27 0.00 0.00 62.75 59.68 1jxf n ILE 23 Cb 0.47 0.51 0.19 0.00 -1.74 0.00 0.00 39.64 39.07 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 -3.74 0.15 -0.52 6.28 1.02 -1.26 -1.85 119.74 119.82 1jxf s LYS 24 Ca 0.03 -0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.73 1jxf s LYS 24 Cb 0.00 -1.76 0.09 0.00 -0.52 0.00 0.00 37.83 35.64 1jxf s LYS 24 CO 0.02 -2.79 0.52 0.00 -0.92 0.00 0.00 175.35 172.18 1jxf s ALA 25 N -3.44 3.53 0.00 5.17 0.00 -1.26 -3.97 121.76 121.79 1jxf s ALA 25 Ca 0.70 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1jxf s ALA 25 Cb -0.08 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1jxf s ALA 25 CO 0.54 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.73 1jxf n GLY 26 N 5.23 1.26 3.53 0.00 0.00 -0.42 -4.90 105.19 109.89 1jxf n GLY 26 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -2.07 -4.60 1.61 4.07 -1.25 -4.62 120.64 113.78 1jxf n GLU 27 Ca 0.00 -1.83 -0.28 0.00 -0.06 0.00 0.00 57.16 54.99 1jxf n GLU 27 Cb 0.00 -1.42 -0.08 0.00 -0.06 0.00 0.00 31.44 29.87 1jxf n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1jxf s GLU 28 N -5.59 2.01 0.05 5.31 1.03 -1.26 -2.12 118.70 118.13 1jxf s GLU 28 Ca 0.70 -2.24 0.00 0.00 0.03 0.00 0.00 54.97 53.46 1jxf s GLU 28 Cb -0.04 -0.93 -0.03 0.00 -0.80 0.00 0.00 34.13 32.32 1jxf s GLU 28 CO 0.51 -0.43 -0.05 0.08 -1.33 0.00 0.00 175.26 174.05 1jxf s VAL 29 N -3.09 0.33 -0.02 1.83 1.01 -0.96 -2.96 120.40 116.54 1jxf s VAL 29 Ca 0.18 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1jxf s VAL 29 Cb 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1jxf s VAL 29 CO 0.11 -0.73 -0.06 -0.75 0.00 0.00 0.00 175.10 173.68 1jxf s LYS 30 N -2.80 0.61 -0.19 2.72 2.20 -0.40 -2.00 119.74 119.87 1jxf s LYS 30 Ca -0.02 -0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.37 1jxf s LYS 30 Cb -0.01 -0.61 -0.03 0.00 -1.51 0.00 0.00 37.83 35.68 1jxf s LYS 30 CO -0.05 0.06 0.00 -1.58 -0.36 0.00 0.00 175.35 173.42 1jxf s TRP 31 N 0.24 3.07 -0.19 4.03 0.51 -0.46 -1.80 118.94 124.33 1jxf s TRP 31 Ca -0.03 -0.35 -0.07 0.00 -2.12 0.00 0.00 56.10 53.53 1jxf s TRP 31 Cb -0.07 -2.06 -0.04 0.00 -0.81 0.00 0.00 33.47 30.49 1jxf s TRP 31 CO -0.00 -0.15 0.06 0.08 -0.51 0.00 0.00 176.95 176.44 1jxf s VAL 32 N 0.81 4.71 0.34 4.03 1.01 0.04 -2.71 120.40 128.64 1jxf s VAL 32 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1jxf s VAL 32 Cb -0.14 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1jxf s VAL 32 CO 0.02 0.44 0.68 0.21 0.00 0.00 0.00 175.10 176.44 1jxf s ASN 33 N 0.58 6.53 0.00 3.32 3.84 -1.26 -2.86 114.94 125.09 1jxf s ASN 33 Ca 0.03 0.99 0.00 0.00 0.21 0.00 0.00 52.86 54.10 1jxf s ASN 33 Cb -0.13 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 1jxf s ASN 33 CO 0.01 -0.28 0.00 0.59 -2.79 0.00 0.00 177.10 174.63 1jxf n ASN 34 N -0.97 0.00 -3.47 -4.21 4.13 -1.26 -4.68 115.26 104.80 1jxf n ASN 34 Ca 0.01 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.12 1jxf n ASN 34 Cb 0.54 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.72 1jxf n ASN 34 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1jxf s LYS 35 N -0.67 1.74 -0.30 3.52 0.00 -1.26 -4.96 119.74 117.81 1jxf s LYS 35 Ca 0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 55.97 54.20 1jxf s LYS 35 Cb 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 37.83 38.22 1jxf s LYS 35 CO 0.00 -0.69 0.28 1.28 0.00 0.00 0.00 175.35 176.23 1jxf n LEU 36 N -0.53 -3.88 -4.74 2.77 4.77 -1.26 -4.71 117.00 109.42 1jxf n LEU 36 Ca 0.03 -0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1jxf n LEU 36 Cb 0.62 -1.90 -0.06 0.00 -2.33 0.00 0.00 43.42 39.75 1jxf n LEU 36 CO 0.30 -0.42 -0.21 -0.94 -1.33 0.00 0.00 177.39 174.79 1jxf s SER 37 N -2.44 4.81 0.75 -1.43 1.04 -1.26 -4.27 113.70 110.89 1jxf s SER 37 Ca 0.01 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 1jxf s SER 37 Cb -0.00 -0.84 0.04 0.00 0.10 0.00 0.00 66.02 65.31 1jxf s SER 37 CO 0.30 -0.22 1.08 -2.16 0.98 0.00 0.00 173.24 173.21 1jxf s PRO 38 N -3.83 2.52 -0.07 4.02 0.04 -1.26 -5.17 135.00 131.24 1jxf s PRO 38 Ca 0.36 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1jxf s PRO 38 Cb -0.04 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1jxf s PRO 38 CO 0.23 -1.36 -0.04 -1.01 0.04 0.00 0.00 177.00 174.86 1jxf s HIS 39 N -3.10 0.94 0.33 0.56 3.76 -1.26 -5.05 115.29 111.47 1jxf s HIS 39 Ca 0.59 -0.34 0.10 0.00 -0.15 0.00 0.00 55.06 55.27 1jxf s HIS 39 Cb -0.14 -0.87 -0.06 0.00 1.11 0.00 0.00 32.58 32.62 1jxf s HIS 39 CO 0.55 -0.31 -0.11 0.54 -0.85 0.00 0.00 174.74 174.55 1jxf s ASN 40 N 1.42 3.74 -0.32 1.40 2.20 -1.26 -4.45 114.94 117.67 1jxf s ASN 40 Ca -0.03 -1.13 0.01 0.00 -0.94 0.00 0.00 52.86 50.77 1jxf s ASN 40 Cb -0.13 -0.36 0.10 0.00 -2.00 0.00 0.00 41.25 38.86 1jxf s ASN 40 CO -0.03 -0.14 0.09 -0.63 -2.94 0.00 0.00 177.10 173.44 1jxf s ILE 41 N -2.57 1.34 -0.24 0.54 1.01 -1.26 -4.41 121.20 115.61 1jxf s ILE 41 Ca 0.32 -1.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.17 1jxf s ILE 41 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1jxf s ILE 41 CO 0.16 -0.66 0.06 0.68 0.00 0.00 0.00 174.94 175.19 1jxf s VAL 42 N 1.36 4.24 -0.56 2.92 -7.23 -1.19 0.72 120.40 120.67 1jxf s VAL 42 Ca 0.10 -0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 59.87 1jxf s VAL 42 Cb -0.18 -2.98 0.07 0.00 0.56 0.00 0.00 36.38 33.85 1jxf s VAL 42 CO -0.19 0.35 0.74 -0.36 -0.31 0.00 0.00 175.10 175.33 1jxf s PHE 43 N 1.54 2.94 -0.58 2.82 0.08 -1.26 -2.39 117.98 121.14 1jxf s PHE 43 Ca 0.06 -0.56 -0.28 0.00 0.12 0.00 0.00 56.93 56.27 1jxf s PHE 43 Cb -0.15 -3.84 0.03 0.00 -0.57 0.00 0.00 43.02 38.49 1jxf s PHE 43 CO 0.03 -1.23 1.21 0.00 -0.10 0.00 0.00 175.22 175.13 1jxf s ALA 44 N 3.05 2.98 -0.99 5.36 0.00 0.82 -4.69 121.76 128.29 1jxf s ALA 44 Ca 0.18 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 1jxf s ALA 44 Cb -0.19 -4.04 -0.25 0.00 0.00 0.00 0.00 23.12 18.64 1jxf s ALA 44 CO 0.11 -2.68 2.54 0.00 0.00 0.00 0.00 175.76 175.73 1jxf n ALA 45 N 8.54 0.50 -3.37 0.00 0.00 -1.26 -4.11 120.51 120.81 1jxf n ALA 45 Ca 0.09 -0.41 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 1jxf n ALA 45 Cb 0.49 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 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 9.16 1.49 0.00 0.00 9.92 -1.26 -4.74 116.55 131.11 1jxf n ASP 46 Ca 0.66 -2.93 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 1jxf n ASP 46 Cb 0.06 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 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 1.51 1.61 3.73 0.44 0.00 -1.24 -4.60 105.19 106.63 1jxf n GLY 47 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.86 0.92 0.48 1.61 0.11 -1.24 -4.20 120.40 116.22 1jxf s VAL 48 Ca 0.00 -2.00 -0.21 0.00 -2.93 0.00 0.00 61.98 56.84 1jxf s VAL 48 Cb 0.00 -2.09 -0.09 0.00 -1.53 0.00 0.00 36.38 32.68 1jxf s VAL 48 CO 0.00 0.00 1.04 -1.81 -3.33 0.00 0.00 175.10 171.00 1jxf s ASP 49 N -3.85 6.38 0.03 3.54 1.01 -1.26 -4.86 116.67 117.67 1jxf s ASP 49 Ca 0.06 1.94 -0.25 0.00 0.71 0.00 0.00 52.55 55.01 1jxf s ASP 49 Cb 0.01 -2.56 -0.18 0.00 1.01 0.00 0.00 42.92 41.20 1jxf s ASP 49 CO 0.04 -0.76 1.48 0.00 0.21 0.00 0.00 175.17 176.14 1jxf h ALA 50 N 1.64 -0.07 -0.06 5.23 0.00 -1.96 0.07 119.26 124.12 1jxf h ALA 50 Ca -0.49 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.32 1jxf h ALA 50 Cb 1.22 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1jxf h ALA 50 CO 0.59 -0.41 -0.16 -0.44 0.00 0.00 0.00 179.25 178.83 1jxf h ASP 51 N -0.31 -0.49 -0.28 0.00 3.32 -1.98 1.55 116.42 118.23 1jxf h ASP 51 Ca -0.01 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1jxf h ASP 51 Cb 0.28 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1jxf h ASP 51 CO 0.01 -0.22 0.20 0.74 -1.72 0.00 0.00 179.24 178.25 1jxf h THR 52 N -0.24 0.89 0.00 0.35 2.02 -1.94 0.37 112.91 114.36 1jxf h THR 52 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1jxf h THR 52 Cb 0.34 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1jxf h THR 52 CO -0.20 0.01 -0.61 0.00 0.37 0.00 0.00 175.52 175.09 1jxf h ALA 53 N 1.86 0.68 0.14 6.16 0.00 0.11 -2.96 119.26 125.24 1jxf h ALA 53 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jxf h ALA 53 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jxf h ALA 53 CO -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.18 1jxf h ALA 54 N 2.12 -0.19 0.11 0.00 0.00 0.64 0.51 119.26 122.45 1jxf h ALA 54 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jxf h ALA 54 Cb 0.94 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1jxf h ALA 54 CO 0.00 -0.57 -0.05 -0.22 0.00 0.00 0.00 179.25 178.40 1jxf h LYS 55 N -0.25 -0.14 -0.99 0.00 3.64 -1.61 -3.09 116.57 114.13 1jxf h LYS 55 Ca -0.02 0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.63 1jxf h LYS 55 Cb 0.20 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1jxf h LYS 55 CO 0.03 0.35 0.67 -0.07 -2.27 0.00 0.00 179.45 178.16 1jxf h LEU 56 N -0.76 0.29-10.04 5.20 4.07 -1.52 -3.40 115.31 109.15 1jxf h LEU 56 Ca -0.01 0.04 -0.46 0.00 0.08 0.00 0.00 57.88 57.53 1jxf h LEU 56 Cb 0.56 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1jxf h LEU 56 CO 0.02 0.08 0.37 -0.94 -1.08 0.00 0.00 178.44 176.89 1jxf s SER 57 N -5.43 6.69 0.52 -0.43 1.04 0.18 -4.72 113.70 111.55 1jxf s SER 57 Ca -0.07 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1jxf s SER 57 Cb 0.23 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 1jxf s SER 57 CO 0.79 -0.53 0.00 1.41 0.98 0.00 0.00 173.24 175.89 1jxf n HIS 58 N -0.64 1.20 0.00 5.02 8.25 0.22 -4.86 115.22 124.41 1jxf n HIS 58 Ca 0.07 -2.56 0.00 0.00 -0.26 0.00 0.00 57.72 54.97 1jxf n HIS 58 Cb 0.53 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1jxf n HIS 58 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jxf n LYS 59 N -1.29 0.00 -1.50 -0.41 5.02 -1.26 -4.15 118.16 114.57 1jxf n LYS 59 Ca -0.22 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.68 1jxf n LYS 59 Cb 0.66 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.51 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 -1.34 -0.47 3.50 0.72 0.00 -1.26 -4.80 105.19 101.53 1jxf n GLY 60 Ca 0.00 1.06 -0.35 0.00 0.00 0.00 0.00 46.02 46.72 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 10.29 1.34 -4.07 0.99 7.99 -1.26 -4.99 117.00 127.29 1jxf n LEU 61 Ca 0.65 0.55 -0.22 0.00 -0.01 0.00 0.00 56.01 56.98 1jxf n LEU 61 Cb 0.05 -1.27 -0.15 0.00 -0.11 0.00 0.00 43.42 41.94 1jxf n LEU 61 CO 0.94 -2.93 -0.47 0.00 -1.51 0.00 0.00 177.39 173.43 1jxf s ALA 62 N -2.01 1.12 -0.34 -1.18 0.00 -1.26 -5.04 121.76 113.04 1jxf s ALA 62 Ca 0.66 -0.52 0.12 0.00 0.00 0.00 0.00 51.96 52.21 1jxf s ALA 62 Cb -0.32 -0.34 0.46 0.00 0.00 0.00 0.00 23.12 22.92 1jxf s ALA 62 CO 0.58 0.23 1.10 1.19 0.00 0.00 0.00 175.76 178.86 1jxf n PHE 63 N 3.02 2.36 -3.48 0.00 3.72 -1.26 -4.43 117.46 117.39 1jxf n PHE 63 Ca -0.16 -2.62 -0.24 0.00 -0.05 0.00 0.00 57.45 54.37 1jxf n PHE 63 Cb 0.54 -0.24 -0.13 0.00 -0.94 0.00 0.00 39.48 38.71 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jxf s ALA 64 N -3.52 0.18 -1.10 4.37 0.00 -1.26 -5.06 121.76 115.37 1jxf s ALA 64 Ca 0.41 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 1jxf s ALA 64 Cb 0.40 -1.55 -0.11 0.00 0.00 0.00 0.00 23.12 21.87 1jxf s ALA 64 CO -0.05 -1.66 1.99 0.00 0.00 0.00 0.00 175.76 176.03 1jxf s ALA 65 N 2.21 1.51 0.00 0.00 0.00 -1.26 -2.26 121.76 121.96 1jxf s ALA 65 Ca 0.09 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1jxf s ALA 65 Cb -0.15 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.31 1jxf s ALA 65 CO -0.35 -5.47 0.00 0.41 0.00 0.00 0.00 175.76 170.35 1jxf n GLY 66 N 6.09 0.29 3.82 0.00 0.00 -1.26 -5.05 105.19 109.08 1jxf n GLY 66 Ca 0.44 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 2.90 -0.08 1.61 0.41 -0.96 -4.91 118.70 117.67 1jxf s GLU 67 Ca 0.00 0.93 -0.05 0.00 -0.41 0.00 0.00 54.97 55.44 1jxf s GLU 67 Cb 0.00 -1.99 0.03 0.00 -1.78 0.00 0.00 34.13 30.40 1jxf s GLU 67 CO 0.00 -1.12 0.20 -1.54 -0.49 0.00 0.00 175.26 172.31 1jxf s SER 68 N -3.81 -0.19 0.77 -0.19 1.04 -1.26 -4.03 113.70 106.02 1jxf s SER 68 Ca 0.58 0.41 -0.12 0.00 0.48 0.00 0.00 55.95 57.30 1jxf s SER 68 Cb -0.14 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.36 1jxf s SER 68 CO 0.55 -0.13 1.12 -0.36 0.98 0.00 0.00 173.24 175.40 1jxf s PHE 69 N 0.86 3.07 0.15 5.02 0.08 -1.10 -4.77 117.98 121.28 1jxf s PHE 69 Ca -0.06 0.97 0.04 0.00 0.12 0.00 0.00 56.93 58.00 1jxf s PHE 69 Cb -0.08 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 1jxf s PHE 69 CO -0.05 -1.54 -0.08 0.99 -0.10 0.00 0.00 175.22 174.43 1jxf s THR 70 N -3.37 1.07 -0.02 0.64 2.01 -1.26 -1.36 115.64 113.35 1jxf s THR 70 Ca 0.60 -2.04 -0.08 0.00 0.31 0.00 0.00 61.69 60.48 1jxf s THR 70 Cb -0.12 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1jxf s THR 70 CO 0.52 -0.72 0.18 -0.55 -0.69 0.00 0.00 174.62 173.35 1jxf s SER 71 N -3.16 -0.07 -0.15 3.53 0.15 -0.85 -4.98 113.70 108.17 1jxf s SER 71 Ca 0.17 0.00 -0.17 0.00 0.70 0.00 0.00 55.95 56.65 1jxf s SER 71 Cb 0.03 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1jxf s SER 71 CO 0.01 -0.29 0.45 -0.89 1.20 0.00 0.00 173.24 173.71 1jxf s THR 72 N -0.95 5.19 -0.36 6.45 2.01 -1.26 -2.27 115.64 124.44 1jxf s THR 72 Ca -0.10 0.87 0.06 0.00 0.31 0.00 0.00 61.69 62.82 1jxf s THR 72 Cb -0.06 -3.79 0.45 0.00 0.01 0.00 0.00 72.50 69.12 1jxf s THR 72 CO 0.02 0.29 1.29 0.49 -0.69 0.00 0.00 174.62 176.01 1jxf n PHE 73 N 4.00 2.90 0.00 4.92 3.01 -0.90 -4.83 117.46 126.56 1jxf n PHE 73 Ca -0.07 -2.43 0.00 0.00 1.01 0.00 0.00 57.45 55.95 1jxf n PHE 73 Cb 0.51 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 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 -0.70 0.00 -2.13 4.37 -2.24 -1.26 -1.30 114.28 111.03 1jxf n THR 74 Ca 0.46 1.10 -0.42 0.00 -2.27 0.00 0.00 64.05 62.92 1jxf n THR 74 Cb 0.88 -2.09 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.19 4.32 -0.04 -0.78 2.12 -1.26 -3.66 118.70 117.21 1jxf s GLU 75 Ca 0.00 2.14 -0.30 0.00 0.36 0.00 0.00 54.97 57.17 1jxf s GLU 75 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1jxf s GLU 75 CO 0.00 -0.40 1.21 -1.25 -0.54 0.00 0.00 175.26 174.28 1jxf s PRO 76 N 0.49 4.36 0.00 4.30 0.04 -1.26 -4.91 135.00 138.02 1jxf s PRO 76 Ca 0.62 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1jxf s PRO 76 Cb -0.38 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1jxf s PRO 76 CO 0.35 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1jxf n GLY 77 N 3.37 2.22 2.66 0.56 0.00 -1.26 -5.00 105.19 107.73 1jxf n GLY 77 Ca 0.11 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.69 0.86 -0.02 2.61 2.01 -1.26 -2.80 115.64 114.35 1jxf s THR 78 Ca 0.00 -1.83 -0.15 0.00 0.31 0.00 0.00 61.69 60.02 1jxf s THR 78 Cb 0.00 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1jxf s THR 78 CO 0.00 -0.82 0.42 -0.31 -0.69 0.00 0.00 174.62 173.22 1jxf s TYR 79 N 1.10 3.69 -0.26 4.92 1.51 -1.20 -3.63 117.35 123.48 1jxf s TYR 79 Ca 0.14 0.97 0.02 0.00 -1.01 0.00 0.00 57.07 57.20 1jxf s TYR 79 Cb -0.21 -2.34 0.06 0.00 -0.11 0.00 0.00 41.96 39.37 1jxf s TYR 79 CO -0.12 0.56 -0.09 0.99 -1.11 0.00 0.00 175.55 175.78 1jxf s THR 80 N -0.77 2.02 -0.07 -0.71 2.01 -1.26 -0.08 115.64 116.78 1jxf s THR 80 Ca 0.24 -1.58 0.02 0.00 0.31 0.00 0.00 61.69 60.68 1jxf s THR 80 Cb -0.16 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1jxf s THR 80 CO 0.13 -0.08 -0.11 -0.72 -0.69 0.00 0.00 174.62 173.14 1jxf s TYR 81 N 1.16 2.80 0.35 4.92 1.13 -1.07 -0.12 117.35 126.52 1jxf s TYR 81 Ca -0.07 -0.14 0.02 0.00 -1.41 0.00 0.00 57.07 55.46 1jxf s TYR 81 Cb -0.20 -1.69 -0.01 0.00 -1.10 0.00 0.00 41.96 38.97 1jxf s TYR 81 CO -0.06 0.19 0.41 2.48 -2.51 0.00 0.00 175.55 176.07 1jxf n TYR 82 N 2.43 -1.20 -2.60 -3.49 0.18 -1.00 -0.92 117.16 110.55 1jxf n TYR 82 Ca -0.18 -2.57 -0.43 0.00 1.88 0.00 0.00 57.90 56.60 1jxf n TYR 82 Cb 0.52 0.45 -0.02 0.00 -0.38 0.00 0.00 39.34 39.92 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 7.62 0.04 0.20 0.00 4.81 -1.93 0.65 114.58 125.98 1jxf h GLU 84 Ca -0.21 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1jxf h GLU 84 Cb 1.07 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1jxf h GLU 84 CO 0.98 0.03 -0.09 -1.00 -0.73 0.00 0.00 179.01 178.19 1jxf h PRO 85 N 0.04 -0.26 -2.28 0.92 0.13 -1.95 -3.32 132.00 125.29 1jxf h PRO 85 Ca 0.36 0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 65.13 1jxf h PRO 85 Cb 0.59 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.72 1jxf h PRO 85 CO -0.69 -0.01 0.94 0.72 -0.23 0.00 0.00 178.00 178.73 1jxf n HIS 86 N -4.94 0.97 -0.56 1.56 8.25 -1.02 -4.52 115.22 114.96 1jxf n HIS 86 Ca -0.05 -2.03 -0.16 0.00 -0.26 0.00 0.00 57.72 55.21 1jxf n HIS 86 Cb 0.18 -1.81 0.08 0.00 1.12 0.00 0.00 29.99 29.57 1jxf n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jxf n ARG 87 N 2.50 1.82 0.00 -0.41 0.63 0.19 -4.13 116.66 117.26 1jxf n ARG 87 Ca 0.54 -1.81 0.00 0.00 -0.92 0.00 0.00 57.85 55.66 1jxf n ARG 87 Cb 0.66 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jxf n GLY 88 N -0.25 -1.10 2.02 5.14 0.00 -1.26 -5.04 105.19 104.69 1jxf n GLY 88 Ca 0.36 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 2.39 0.00 4.61 0.00 -1.26 -5.04 120.51 121.22 1jxf n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jxf n ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.89 0.00 2.68 0.00 0.00 -1.26 -5.12 105.19 102.38 1jxf n GLY 90 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1jxf n GLY 90 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jxf s MET 91 N 0.00 0.30 0.16 1.61 1.00 -1.26 -4.57 119.30 116.54 1jxf s MET 91 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 55.69 55.27 1jxf s MET 91 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 34.83 33.96 1jxf s MET 91 CO 0.00 -1.04 0.23 0.08 0.00 0.00 0.00 175.02 174.29 1jxf s VAL 92 N 2.18 0.08 -0.02 -6.03 1.01 -1.26 -3.55 120.40 112.80 1jxf s VAL 92 Ca 0.10 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.44 1jxf s VAL 92 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1jxf s VAL 92 CO -0.32 -0.34 0.28 -0.83 0.00 0.00 0.00 175.10 173.89 1jxf s GLY 93 N -2.98 -0.12 -0.21 4.51 0.00 -0.10 -4.49 107.32 103.93 1jxf s GLY 93 Ca 0.19 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.15 1jxf s GLY 93 CO 0.00 0.08 0.06 0.54 0.00 0.00 0.00 173.10 173.79 1jxf s LYS 94 N -1.25 0.49 0.30 2.90 -0.14 0.75 -2.60 119.74 120.20 1jxf s LYS 94 Ca -0.13 -0.43 -0.09 0.00 -1.36 0.00 0.00 55.97 53.97 1jxf s LYS 94 Cb -0.05 -1.96 -0.06 0.00 -1.68 0.00 0.00 37.83 34.07 1jxf s LYS 94 CO 0.04 -0.72 0.62 0.08 -0.76 0.00 0.00 175.35 174.61 1jxf s VAL 95 N 1.91 4.91 -0.25 3.17 1.01 0.88 -3.22 120.40 128.82 1jxf s VAL 95 Ca 0.02 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 1jxf s VAL 95 Cb -0.17 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.64 1jxf s VAL 95 CO -0.13 -0.27 0.25 -0.69 0.00 0.00 0.00 175.10 174.27 1jxf s VAL 96 N -2.05 -0.36 0.16 2.92 1.01 -0.84 -3.23 120.40 118.02 1jxf s VAL 96 Ca 0.48 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1jxf s VAL 96 Cb -0.11 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 1jxf s VAL 96 CO 0.26 -0.35 0.58 -0.69 0.00 0.00 0.00 175.10 174.91 1jxf s VAL 97 N 2.34 4.80 -1.70 2.92 1.01 -1.12 -3.03 120.40 125.62 1jxf s VAL 97 Ca 0.08 0.90 0.14 0.00 0.00 0.00 0.00 61.98 63.11 1jxf s VAL 97 Cb -0.15 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.59 1jxf s VAL 97 CO -0.23 0.22 0.93 -0.67 0.00 0.00 0.00 175.10 175.36