#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 1.37 -0.09 0.00 4.22 -1.26 -4.71 114.94 114.46 1jxf s ASN 2 Ca 0.00 -1.65 -0.27 0.00 -2.14 0.00 0.00 52.86 48.80 1jxf s ASN 2 Cb 0.00 0.62 -0.02 0.00 1.28 0.00 0.00 41.25 43.13 1jxf s ASN 2 CO 0.00 -1.20 0.89 0.00 -2.04 0.00 0.00 177.10 174.75 1jxf s ALA 3 N -3.17 3.36 -0.05 3.54 0.00 -1.05 -4.82 121.76 119.57 1jxf s ALA 3 Ca 0.36 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1jxf s ALA 3 Cb 0.01 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1jxf s ALA 3 CO 0.25 -0.43 1.06 0.99 0.00 0.00 0.00 175.76 177.63 1jxf s THR 4 N 1.57 4.62 -0.27 0.00 2.01 -1.26 -1.88 115.64 120.41 1jxf s THR 4 Ca 0.44 1.89 -0.02 0.00 0.31 0.00 0.00 61.69 64.31 1jxf s THR 4 Cb -0.18 -4.21 0.11 0.00 0.01 0.00 0.00 72.50 68.23 1jxf s THR 4 CO 0.19 0.05 0.21 -0.69 -0.69 0.00 0.00 174.62 173.70 1jxf s VAL 5 N 1.71 -0.25 0.30 3.82 1.01 -0.96 -4.44 120.40 121.59 1jxf s VAL 5 Ca 0.52 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1jxf s VAL 5 Cb -0.21 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.15 1jxf s VAL 5 CO 0.22 -0.52 0.94 -1.59 0.00 0.00 0.00 175.10 174.16 1jxf s LYS 6 N 2.25 4.65 -0.04 2.72 -2.85 -0.63 -3.19 119.74 122.65 1jxf s LYS 6 Ca 0.09 1.37 -0.21 0.00 -1.00 0.00 0.00 55.97 56.22 1jxf s LYS 6 Cb -0.15 -2.91 -0.14 0.00 -2.06 0.00 0.00 37.83 32.57 1jxf s LYS 6 CO -0.31 0.33 0.89 0.52 0.10 0.00 0.00 175.35 176.89 1jxf h MET 7 N 3.40 -0.33 0.00 1.78 2.86 -1.78 -3.11 114.93 117.76 1jxf h MET 7 Ca -0.46 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1jxf h MET 7 Cb 1.19 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1jxf h MET 7 CO 0.66 0.02 0.00 0.41 1.06 0.00 0.00 176.91 179.05 1jxf n GLY 8 N 0.35 1.30 3.27 8.32 0.00 -1.25 -3.33 105.19 113.85 1jxf n GLY 8 Ca -0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1jxf n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jxf s SER 9 N -0.68 -0.23 -1.13 1.61 0.01 -1.11 -4.24 113.70 107.92 1jxf s SER 9 Ca 0.00 0.14 -0.14 0.00 1.31 0.00 0.00 55.95 57.26 1jxf s SER 9 Cb 0.00 0.33 -0.07 0.00 0.21 0.00 0.00 66.02 66.50 1jxf s SER 9 CO 0.00 -0.47 2.22 -0.90 0.41 0.00 0.00 173.24 174.50 1jxf n ASP 10 N 1.22 4.44 0.00 2.44 5.68 -1.26 -3.70 116.55 125.36 1jxf n ASP 10 Ca -0.21 -2.63 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1jxf n ASP 10 Cb 0.56 -1.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.21 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 5.73 0.00 0.00 -1.12 2.88 -1.26 -5.06 113.62 114.79 1jxf n SER 11 Ca 0.54 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1jxf n SER 11 Cb 0.31 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 -1.29 0.00 2.99 0.46 0.00 -1.24 -5.07 105.19 101.04 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 -0.45 -0.71 4.61 0.00 -1.26 -5.02 121.76 118.93 1jxf s ALA 13 Ca 0.00 0.86 -0.26 0.00 0.00 0.00 0.00 51.96 52.56 1jxf s ALA 13 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1jxf s ALA 13 CO 0.00 -0.37 1.63 -0.48 0.00 0.00 0.00 175.76 176.54 1jxf s LEU 14 N 1.72 3.24 -0.02 0.00 -0.00 -1.26 -2.77 118.68 119.59 1jxf s LEU 14 Ca -0.05 -0.16 0.01 0.00 -0.00 0.00 0.00 54.13 53.93 1jxf s LEU 14 Cb -0.11 -2.55 0.02 0.00 -0.00 0.00 0.00 46.19 43.55 1jxf s LEU 14 CO -0.08 -2.15 -0.01 0.68 -0.00 0.00 0.00 176.35 174.79 1jxf s VAL 15 N 7.67 0.19 -0.33 1.48 -7.23 -1.25 -4.82 120.40 116.11 1jxf s VAL 15 Ca 0.54 0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 60.46 1jxf s VAL 15 Cb -0.10 -0.26 0.02 0.00 0.56 0.00 0.00 36.38 36.60 1jxf s VAL 15 CO 0.15 0.13 1.04 -0.36 -0.31 0.00 0.00 175.10 175.75 1jxf s PHE 16 N 0.77 3.14 -0.08 2.82 0.08 -1.21 -3.77 117.98 119.72 1jxf s PHE 16 Ca -0.08 1.11 -0.04 0.00 0.12 0.00 0.00 56.93 58.04 1jxf s PHE 16 Cb -0.11 -3.68 0.04 0.00 -0.57 0.00 0.00 43.02 38.71 1jxf s PHE 16 CO -0.01 -0.77 0.20 -2.00 -0.10 0.00 0.00 175.22 172.53 1jxf s GLU 17 N 3.61 0.16 0.09 0.44 2.12 -1.17 -1.78 118.70 122.17 1jxf s GLU 17 Ca 0.44 0.44 -0.30 0.00 0.36 0.00 0.00 54.97 55.90 1jxf s GLU 17 Cb -0.12 -0.12 -0.06 0.00 0.26 0.00 0.00 34.13 34.09 1jxf s GLU 17 CO 0.16 -0.15 1.15 -1.25 -0.54 0.00 0.00 175.26 174.63 1jxf s PRO 18 N 1.10 4.49 0.37 4.30 0.04 -1.26 -1.61 135.00 142.42 1jxf s PRO 18 Ca -0.08 1.73 0.12 0.00 0.04 0.00 0.00 61.00 62.80 1jxf s PRO 18 Cb -0.10 -3.33 0.91 0.00 0.04 0.00 0.00 34.50 32.02 1jxf s PRO 18 CO -0.07 -0.14 1.83 0.66 0.04 0.00 0.00 177.00 179.32 1jxf h SER 19 N 6.26 0.59 -3.34 6.66 4.64 -1.71 -3.38 113.55 123.27 1jxf h SER 19 Ca -0.42 0.06 -0.59 0.00 -0.47 0.00 0.00 61.79 60.37 1jxf h SER 19 Cb 1.21 -0.05 -0.34 0.00 -0.31 0.00 0.00 62.40 62.92 1jxf h SER 19 CO 0.78 0.24 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.25 1jxf s THR 20 N -5.63 1.54 0.05 2.95 2.01 -1.26 -1.94 115.64 113.36 1jxf s THR 20 Ca -0.10 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1jxf s THR 20 Cb 0.23 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1jxf s THR 20 CO 0.79 0.45 -0.12 0.68 -0.69 0.00 0.00 174.62 175.72 1jxf s VAL 21 N 0.68 0.96 -0.29 3.82 -7.23 -1.26 -5.08 120.40 112.00 1jxf s VAL 21 Ca -0.13 -1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1jxf s VAL 21 Cb -0.16 -0.92 0.10 0.00 0.56 0.00 0.00 36.38 35.95 1jxf s VAL 21 CO 0.03 -0.17 0.11 -0.89 -0.31 0.00 0.00 175.10 173.88 1jxf s THR 22 N -1.10 0.30 0.55 5.32 2.01 -1.26 -2.44 115.64 119.01 1jxf s THR 22 Ca -0.02 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.06 1jxf s THR 22 Cb -0.09 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.25 1jxf s THR 22 CO 0.01 -0.67 0.40 2.30 -0.69 0.00 0.00 174.62 175.97 1jxf n ILE 23 N 5.10 0.00 -1.58 1.82 -5.35 -1.22 -4.99 119.36 113.13 1jxf n ILE 23 Ca -0.05 -2.17 -0.29 0.00 -0.27 0.00 0.00 62.75 59.96 1jxf n ILE 23 Cb 0.42 -0.01 0.18 0.00 -1.74 0.00 0.00 39.64 38.49 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 -4.23 0.41 -0.27 6.28 -0.14 -1.26 -2.00 119.74 118.53 1jxf s LYS 24 Ca 0.30 -0.05 -0.15 0.00 -1.36 0.00 0.00 55.97 54.71 1jxf s LYS 24 Cb -0.02 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.30 1jxf s LYS 24 CO 0.19 -2.62 0.39 0.00 -0.76 0.00 0.00 175.35 172.55 1jxf s ALA 25 N -3.44 3.57 0.00 5.17 0.00 -1.26 -3.94 121.76 121.86 1jxf s ALA 25 Ca 0.69 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1jxf s ALA 25 Cb -0.09 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1jxf s ALA 25 CO 0.54 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1jxf n GLY 26 N 4.64 1.59 3.77 0.00 0.00 -0.79 -4.90 105.19 109.50 1jxf n GLY 26 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.06 -0.19 0.35 1.61 2.56 -1.25 -4.55 118.70 117.17 1jxf s GLU 27 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.97 54.81 1jxf s GLU 27 Cb 0.00 -1.73 -0.07 0.00 2.00 0.00 0.00 34.13 34.33 1jxf s GLU 27 CO 0.00 -3.00 0.04 -1.83 -0.56 0.00 0.00 175.26 169.92 1jxf s GLU 28 N -5.63 1.76 -0.05 4.30 1.03 -1.26 -0.90 118.70 117.94 1jxf s GLU 28 Ca 0.72 -1.98 0.02 0.00 0.03 0.00 0.00 54.97 53.75 1jxf s GLU 28 Cb -0.07 -1.12 0.02 0.00 -0.80 0.00 0.00 34.13 32.15 1jxf s GLU 28 CO 0.54 -0.15 -0.08 0.08 -1.33 0.00 0.00 175.26 174.32 1jxf s VAL 29 N -3.10 0.83 0.26 1.83 1.01 -0.41 -2.54 120.40 118.28 1jxf s VAL 29 Ca 0.36 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1jxf s VAL 29 Cb 0.09 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1jxf s VAL 29 CO 0.16 0.28 0.43 -0.75 0.00 0.00 0.00 175.10 175.23 1jxf s LYS 30 N 0.71 3.48 0.17 2.72 2.20 -0.79 -1.41 119.74 126.82 1jxf s LYS 30 Ca -0.12 -0.49 0.08 0.00 -0.36 0.00 0.00 55.97 55.08 1jxf s LYS 30 Cb -0.14 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1jxf s LYS 30 CO 0.02 0.33 -0.18 -1.58 -0.36 0.00 0.00 175.35 173.58 1jxf s TRP 31 N -2.05 1.81 -0.15 4.03 0.51 -0.60 -2.26 118.94 120.22 1jxf s TRP 31 Ca 0.37 -0.48 -0.04 0.00 -2.12 0.00 0.00 56.10 53.84 1jxf s TRP 31 Cb -0.10 -0.90 0.06 0.00 -0.81 0.00 0.00 33.47 31.73 1jxf s TRP 31 CO 0.31 0.34 0.14 0.08 -0.51 0.00 0.00 176.95 177.31 1jxf s VAL 32 N -2.14 -0.19 0.47 4.03 1.01 -1.19 -3.85 120.40 118.53 1jxf s VAL 32 Ca 0.16 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 1jxf s VAL 32 Cb -0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.74 1jxf s VAL 32 CO 0.07 -0.13 1.04 0.21 0.00 0.00 0.00 175.10 176.29 1jxf s ASN 33 N 2.23 6.40 0.00 3.32 3.84 -1.26 -2.57 114.94 126.90 1jxf s ASN 33 Ca 0.04 1.95 0.00 0.00 0.21 0.00 0.00 52.86 55.06 1jxf s ASN 33 Cb -0.15 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1jxf s ASN 33 CO -0.09 -0.74 0.00 0.59 -2.79 0.00 0.00 177.10 174.07 1jxf n ASN 34 N -0.84 0.00 -3.10 -4.21 4.13 -1.26 -4.73 115.26 105.25 1jxf n ASN 34 Ca 0.09 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.18 1jxf n ASN 34 Cb 0.52 0.00 -0.05 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 -1.39 0.60 -2.73 3.52 4.76 -1.26 -4.95 118.16 116.71 1jxf n LYS 35 Ca 0.00 -3.03 -0.05 0.00 -2.87 0.00 0.00 58.31 52.36 1jxf n LYS 35 Cb 0.00 2.73 0.02 0.00 -1.84 0.00 0.00 35.03 35.95 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 -5.22 -4.97 -0.35 4.77 -1.26 -4.72 117.00 105.26 1jxf n LEU 36 Ca 0.03 -0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 55.53 1jxf n LEU 36 Cb 0.60 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1jxf n LEU 36 CO 0.30 -0.44 0.18 -0.94 -1.33 0.00 0.00 177.39 175.17 1jxf s SER 37 N -2.99 5.94 0.79 -1.43 1.04 -1.26 -4.38 113.70 111.40 1jxf s SER 37 Ca 0.15 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.60 1jxf s SER 37 Cb -0.02 -1.49 0.06 0.00 0.10 0.00 0.00 66.02 64.67 1jxf s SER 37 CO 0.56 -0.55 1.09 -2.16 0.98 0.00 0.00 173.24 173.16 1jxf s PRO 38 N -4.38 2.18 -0.30 4.02 0.04 -1.26 -5.13 135.00 130.17 1jxf s PRO 38 Ca 0.46 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 1jxf s PRO 38 Cb -0.10 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1jxf s PRO 38 CO 0.35 -1.56 0.12 -1.01 0.04 0.00 0.00 177.00 174.94 1jxf s HIS 39 N -3.14 0.95 0.35 0.56 3.76 -1.15 -4.89 115.29 111.73 1jxf s HIS 39 Ca 0.60 -1.27 0.08 0.00 -0.15 0.00 0.00 55.06 54.32 1jxf s HIS 39 Cb -0.14 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 1jxf s HIS 39 CO 0.54 -0.85 0.20 0.54 -0.85 0.00 0.00 174.74 174.32 1jxf s ASN 40 N 1.87 4.83 -0.33 1.40 2.20 -1.26 -4.40 114.94 119.26 1jxf s ASN 40 Ca 0.09 -0.73 0.04 0.00 -0.94 0.00 0.00 52.86 51.32 1jxf s ASN 40 Cb -0.17 -0.75 0.09 0.00 -2.00 0.00 0.00 41.25 38.43 1jxf s ASN 40 CO -0.31 -0.37 0.03 -0.63 -2.94 0.00 0.00 177.10 172.88 1jxf s ILE 41 N -2.42 2.20 -0.25 0.54 1.09 -1.18 -4.43 121.20 116.75 1jxf s ILE 41 Ca 0.40 -2.20 -0.06 0.00 -1.10 0.00 0.00 60.65 57.68 1jxf s ILE 41 Cb -0.03 -2.58 -0.02 0.00 -1.06 0.00 0.00 42.46 38.77 1jxf s ILE 41 CO 0.24 -0.52 0.04 0.68 -0.10 0.00 0.00 174.94 175.28 1jxf s VAL 42 N 0.96 3.95 -0.45 2.92 -7.23 -1.23 0.93 120.40 120.25 1jxf s VAL 42 Ca 0.08 -0.37 -0.17 0.00 -1.81 0.00 0.00 61.98 59.71 1jxf s VAL 42 Cb -0.19 -2.87 0.05 0.00 0.56 0.00 0.00 36.38 33.93 1jxf s VAL 42 CO -0.08 0.32 0.43 -0.36 -0.31 0.00 0.00 175.10 175.10 1jxf s PHE 43 N 1.55 3.19 -0.37 2.82 0.08 -1.26 -2.34 117.98 121.65 1jxf s PHE 43 Ca 0.05 -0.63 -0.24 0.00 0.12 0.00 0.00 56.93 56.23 1jxf s PHE 43 Cb -0.15 -3.04 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 1jxf s PHE 43 CO 0.01 -0.77 0.83 0.00 -0.10 0.00 0.00 175.22 175.19 1jxf s ALA 44 N 1.97 3.42 -0.97 5.36 0.00 -0.32 -4.69 121.76 126.53 1jxf s ALA 44 Ca 0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 51.96 51.22 1jxf s ALA 44 Cb -0.20 -3.42 -0.26 0.00 0.00 0.00 0.00 23.12 19.24 1jxf s ALA 44 CO 0.10 -1.54 2.48 0.00 0.00 0.00 0.00 175.76 176.80 1jxf n ALA 45 N 6.54 0.62 -3.11 0.00 0.00 -1.26 -4.29 120.51 119.01 1jxf n ALA 45 Ca 0.04 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.70 1jxf n ALA 45 Cb 0.48 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 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 9.11 3.32 0.00 0.00 9.92 -1.26 -4.73 116.55 132.91 1jxf n ASP 46 Ca 0.65 -3.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.48 1jxf n ASP 46 Cb 0.10 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 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 0.22 1.88 3.88 0.44 0.00 -1.26 -4.73 105.19 105.62 1jxf n GLY 47 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.48 1.75 0.17 1.61 0.11 -1.26 -4.72 120.40 116.59 1jxf s VAL 48 Ca 0.00 -1.52 -0.30 0.00 -2.93 0.00 0.00 61.98 57.23 1jxf s VAL 48 Cb 0.00 -2.27 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 1jxf s VAL 48 CO 0.00 0.00 1.07 -1.81 -3.33 0.00 0.00 175.10 171.03 1jxf s ASP 49 N -4.23 7.33 0.19 3.54 1.11 -1.26 -4.81 116.67 118.54 1jxf s ASP 49 Ca 0.34 2.03 -0.11 0.00 0.18 0.00 0.00 52.55 54.99 1jxf s ASP 49 Cb -0.02 -2.60 0.21 0.00 1.07 0.00 0.00 42.92 41.58 1jxf s ASP 49 CO 0.21 -0.17 1.76 0.00 1.18 0.00 0.00 175.17 178.14 1jxf h ALA 50 N 5.12 0.70 0.47 5.23 0.00 -1.96 0.50 119.26 129.32 1jxf h ALA 50 Ca -0.44 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1jxf h ALA 50 Cb 1.21 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jxf h ALA 50 CO 0.72 -0.16 -0.43 -0.44 0.00 0.00 0.00 179.25 178.93 1jxf h ASP 51 N 0.42 -1.17 -0.65 0.00 5.19 -1.98 1.13 116.42 119.37 1jxf h ASP 51 Ca 0.26 0.09 0.11 0.00 -0.62 0.00 0.00 57.03 56.88 1jxf h ASP 51 Cb 0.27 0.38 -0.04 0.00 0.18 0.00 0.00 39.33 40.12 1jxf h ASP 51 CO -0.24 -0.60 0.43 0.00 -3.12 0.00 0.00 179.24 175.71 1jxf h THR 52 N -0.91 0.88 0.00 0.35 1.03 -1.82 0.55 112.91 112.98 1jxf h THR 52 Ca -0.05 -0.15 -0.03 0.00 -0.01 0.00 0.00 66.41 66.18 1jxf h THR 52 Cb 0.79 0.41 -0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1jxf h THR 52 CO -0.04 0.08 -0.12 0.00 -0.01 0.00 0.00 175.52 175.42 1jxf h ALA 53 N 1.68 0.94 -0.49 0.00 0.00 0.11 -2.77 119.26 118.73 1jxf h ALA 53 Ca 0.30 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1jxf h ALA 53 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1jxf h ALA 53 CO -0.09 0.16 0.13 0.00 0.00 0.00 0.00 179.25 179.44 1jxf h ALA 54 N 1.88 0.64 -0.20 0.00 0.00 0.67 1.42 119.26 123.67 1jxf h ALA 54 Ca -0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1jxf h ALA 54 Cb 0.96 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jxf h ALA 54 CO 0.02 0.32 -0.62 0.87 0.00 0.00 0.00 179.25 179.84 1jxf h LYS 55 N 0.66 0.69 0.00 0.00 6.56 -1.43 -2.75 116.57 120.30 1jxf h LYS 55 Ca 0.15 -0.47 -0.01 0.00 -1.06 0.00 0.00 60.65 59.26 1jxf h LYS 55 Cb 0.31 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1jxf h LYS 55 CO 0.00 1.10 -0.06 -0.07 -2.06 0.00 0.00 179.45 178.36 1jxf h LEU 56 N 0.51 0.00 -9.74 2.94 4.07 -1.19 -3.44 115.31 108.46 1jxf h LEU 56 Ca -0.01 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.44 1jxf h LEU 56 Cb 1.20 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.96 1jxf h LEU 56 CO 0.12 0.06 0.50 -0.44 -1.08 0.00 0.00 178.44 177.60 1jxf s SER 57 N -6.01 7.21 -0.34 -0.43 0.01 0.48 -4.61 113.70 110.02 1jxf s SER 57 Ca 0.04 2.22 0.03 0.00 1.31 0.00 0.00 55.95 59.55 1jxf s SER 57 Cb 0.07 -2.62 0.10 0.00 0.21 0.00 0.00 66.02 63.79 1jxf s SER 57 CO 0.62 -0.23 0.06 -1.00 0.41 0.00 0.00 173.24 173.11 1jxf s HIS 58 N -0.66 3.27 -0.78 2.43 3.76 0.26 -4.91 115.29 118.68 1jxf s HIS 58 Ca 0.48 -2.71 -0.01 0.00 -0.15 0.00 0.00 55.06 52.66 1jxf s HIS 58 Cb -0.32 -2.64 0.37 0.00 1.11 0.00 0.00 32.58 31.11 1jxf s HIS 58 CO 0.39 -0.93 1.93 1.63 -0.85 0.00 0.00 174.74 176.91 1jxf n LYS 59 N 4.37 2.82 -3.53 1.40 5.02 -1.26 -3.10 118.16 123.89 1jxf n LYS 59 Ca 0.03 -3.59 -0.20 0.00 -2.02 0.00 0.00 58.31 52.52 1jxf n LYS 59 Cb 0.42 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 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 -1.46 2.05 -0.25 0.72 0.00 -1.26 -5.10 107.32 102.02 1jxf s GLY 60 Ca 0.53 -1.82 -0.08 0.00 0.00 0.00 0.00 44.72 43.36 1jxf s GLY 60 CO -0.33 -1.65 0.08 1.08 0.00 0.00 0.00 173.10 172.29 1jxf s LEU 61 N -4.14 3.54 -0.34 0.66 2.01 -1.26 -4.60 118.68 114.55 1jxf s LEU 61 Ca 0.48 -0.16 -0.05 0.00 0.01 0.00 0.00 54.13 54.42 1jxf s LEU 61 Cb -0.05 -1.95 0.06 0.00 0.01 0.00 0.00 46.19 44.26 1jxf s LEU 61 CO 0.28 -0.02 0.10 0.00 1.01 0.00 0.00 176.35 177.72 1jxf s ALA 62 N 1.52 3.01 0.00 4.21 0.00 -1.26 -4.88 121.76 124.36 1jxf s ALA 62 Ca 0.06 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1jxf s ALA 62 Cb -0.15 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1jxf s ALA 62 CO 0.04 -1.41 0.00 1.19 0.00 0.00 0.00 175.76 175.58 1jxf n PHE 63 N 4.72 0.00 -2.53 0.00 3.01 -1.26 -2.93 117.46 118.47 1jxf n PHE 63 Ca -0.11 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.92 1jxf n PHE 63 Cb 0.44 0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.90 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 -1.93 3.16 -0.54 4.37 0.00 -1.26 -4.93 121.76 120.63 1jxf s ALA 64 Ca 0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.36 1jxf s ALA 64 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 1jxf s ALA 64 CO 0.00 -2.22 2.37 0.00 0.00 0.00 0.00 175.76 175.91 1jxf s ALA 65 N 4.64 1.55 0.00 0.00 0.00 -1.26 -2.45 121.76 124.25 1jxf s ALA 65 Ca 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1jxf s ALA 65 Cb -0.09 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.65 1jxf s ALA 65 CO 0.30 -4.60 0.00 0.41 0.00 0.00 0.00 175.76 171.87 1jxf n GLY 66 N 6.08 0.30 3.63 0.00 0.00 -1.26 -5.09 105.19 108.86 1jxf n GLY 66 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 3.86 -0.21 1.61 0.41 -1.02 -4.98 118.70 118.37 1jxf s GLU 67 Ca 0.00 1.32 -0.04 0.00 -0.41 0.00 0.00 54.97 55.84 1jxf s GLU 67 Cb 0.00 -3.93 -0.01 0.00 -1.78 0.00 0.00 34.13 28.42 1jxf s GLU 67 CO 0.00 -1.19 -0.05 -1.54 -0.49 0.00 0.00 175.26 171.99 1jxf s SER 68 N 3.21 4.30 0.90 -0.19 1.04 -1.26 -4.43 113.70 117.27 1jxf s SER 68 Ca 0.60 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 56.53 1jxf s SER 68 Cb -0.18 -1.73 0.17 0.00 0.10 0.00 0.00 66.02 64.38 1jxf s SER 68 CO 0.25 -0.00 1.24 -0.36 0.98 0.00 0.00 173.24 175.35 1jxf s PHE 69 N 1.36 1.75 0.04 5.02 0.08 -1.25 -4.77 117.98 120.23 1jxf s PHE 69 Ca 0.04 0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.27 1jxf s PHE 69 Cb -0.14 -3.83 -0.00 0.00 -0.57 0.00 0.00 43.02 38.47 1jxf s PHE 69 CO -0.03 -2.36 0.14 0.99 -0.10 0.00 0.00 175.22 173.86 1jxf s THR 70 N -3.71 0.13 -0.00 0.64 2.01 -1.26 -1.56 115.64 111.89 1jxf s THR 70 Ca 0.71 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1jxf s THR 70 Cb -0.05 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 1jxf s THR 70 CO 0.51 -0.57 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.30 1jxf s SER 71 N -2.21 0.12 -0.42 3.53 0.15 -0.50 -4.95 113.70 109.42 1jxf s SER 71 Ca -0.04 -0.02 -0.21 0.00 0.70 0.00 0.00 55.95 56.39 1jxf s SER 71 Cb -0.00 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1jxf s SER 71 CO -0.05 0.01 0.66 -0.89 1.20 0.00 0.00 173.24 174.17 1jxf s THR 72 N 0.00 4.81 -0.56 6.45 2.01 -1.26 -1.29 115.64 125.81 1jxf s THR 72 Ca 0.00 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 1jxf s THR 72 Cb -0.01 -4.19 0.34 0.00 0.01 0.00 0.00 72.50 68.65 1jxf s THR 72 CO -0.00 -0.55 2.08 0.49 -0.69 0.00 0.00 174.62 175.96 1jxf n PHE 73 N 6.28 2.56 0.21 4.92 3.01 -0.08 -4.61 117.46 129.74 1jxf n PHE 73 Ca -0.01 -2.56 -0.09 0.00 1.01 0.00 0.00 57.45 55.81 1jxf n PHE 73 Cb 0.48 -1.27 -0.04 0.00 -0.01 0.00 0.00 39.48 38.64 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 1.16 0.00 -2.39 4.37 2.02 -1.80 -2.11 112.91 114.16 1jxf h THR 74 Ca 0.49 -0.25 -0.54 0.00 0.77 0.00 0.00 66.41 66.88 1jxf h THR 74 Cb 0.77 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1jxf h THR 74 CO 1.27 0.00 1.23 -1.61 0.37 0.00 0.00 175.52 176.77 1jxf s GLU 75 N -3.60 4.09 -0.49 6.66 0.41 -1.26 -3.66 118.70 120.85 1jxf s GLU 75 Ca -0.08 2.51 -0.28 0.00 -0.41 0.00 0.00 54.97 56.71 1jxf s GLU 75 Cb 0.01 -4.15 0.01 0.00 -1.78 0.00 0.00 34.13 28.22 1jxf s GLU 75 CO 0.25 -1.01 1.46 -1.25 -0.49 0.00 0.00 175.26 174.22 1jxf s PRO 76 N 4.51 3.38 0.00 0.39 0.04 -1.26 -4.82 135.00 137.24 1jxf s PRO 76 Ca 0.87 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1jxf s PRO 76 Cb -0.41 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1jxf s PRO 76 CO 0.39 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 176.02 1jxf n GLY 77 N 5.22 3.64 2.72 0.56 0.00 -1.25 -4.98 105.19 111.10 1jxf n GLY 77 Ca 0.15 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1jxf n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jxf s THR 78 N -0.10 -0.32 -0.09 2.61 -1.32 -1.26 -2.54 115.64 112.62 1jxf s THR 78 Ca 0.00 -0.41 -0.11 0.00 -1.21 0.00 0.00 61.69 59.96 1jxf s THR 78 Cb 0.00 -0.89 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 1jxf s THR 78 CO 0.00 -0.43 0.27 -0.31 -2.21 0.00 0.00 174.62 171.94 1jxf s TYR 79 N 2.31 3.61 -0.23 9.09 1.51 -1.11 -4.05 117.35 128.47 1jxf s TYR 79 Ca 0.09 0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 56.84 1jxf s TYR 79 Cb -0.15 -2.15 0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1jxf s TYR 79 CO -0.27 0.58 -0.10 0.99 -1.11 0.00 0.00 175.55 175.65 1jxf s THR 80 N -0.68 2.66 -0.05 -0.71 2.01 -1.26 0.13 115.64 117.73 1jxf s THR 80 Ca 0.18 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1jxf s THR 80 Cb -0.14 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1jxf s THR 80 CO 0.07 0.27 -0.22 -0.72 -0.69 0.00 0.00 174.62 173.32 1jxf s TYR 81 N 1.30 2.49 0.36 4.92 1.13 -0.36 -1.17 117.35 126.02 1jxf s TYR 81 Ca 0.01 -0.54 0.06 0.00 -1.41 0.00 0.00 57.07 55.19 1jxf s TYR 81 Cb -0.16 -1.60 -0.03 0.00 -1.10 0.00 0.00 41.96 39.08 1jxf s TYR 81 CO -0.06 -0.09 0.21 1.52 -2.51 0.00 0.00 175.55 174.61 1jxf s TYR 82 N -0.35 1.75 -0.03 -3.49 -0.85 -0.99 0.26 117.35 113.65 1jxf s TYR 82 Ca 0.02 -1.50 -0.30 0.00 -0.52 0.00 0.00 57.07 54.77 1jxf s TYR 82 Cb -0.12 -0.90 -0.03 0.00 0.38 0.00 0.00 41.96 41.29 1jxf s TYR 82 CO 0.02 -0.62 1.07 0.00 -1.52 0.00 0.00 175.55 174.50 1jxf h GLU 84 N 7.02 0.09 -0.03 0.00 4.81 -1.93 1.44 114.58 125.98 1jxf h GLU 84 Ca -0.37 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.64 1jxf h GLU 84 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1jxf h GLU 84 CO 0.82 0.15 -0.88 -1.00 -0.73 0.00 0.00 179.01 177.37 1jxf h PRO 85 N 0.01 0.45 -0.86 0.92 0.13 -1.92 -3.19 132.00 127.54 1jxf h PRO 85 Ca 0.02 -0.44 -0.55 0.00 -0.87 0.00 0.00 66.00 64.16 1jxf h PRO 85 Cb 0.08 0.11 -0.29 0.00 0.13 0.00 0.00 31.00 31.04 1jxf h PRO 85 CO -0.00 1.09 0.40 0.72 -0.23 0.00 0.00 178.00 179.97 1jxf n HIS 86 N -3.79 2.80 0.40 1.56 8.25 -1.15 -4.56 115.22 118.74 1jxf n HIS 86 Ca -0.06 -2.44 0.09 0.00 -0.26 0.00 0.00 57.72 55.04 1jxf n HIS 86 Cb 0.80 -1.02 0.39 0.00 1.12 0.00 0.00 29.99 31.27 1jxf n HIS 86 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1jxf n ARG 87 N -0.96 0.09 -2.91 -0.41 -4.01 0.49 -3.14 116.66 105.81 1jxf n ARG 87 Ca 0.55 0.36 -0.13 0.00 -1.04 0.00 0.00 57.85 57.59 1jxf n ARG 87 Cb 0.98 -1.69 0.00 0.00 -3.04 0.00 0.00 32.46 28.71 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1jxf n GLY 88 N -0.17 2.49 1.06 2.89 0.00 -1.26 -4.86 105.19 105.35 1jxf n GLY 88 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.10 2.63 0.00 4.61 0.00 -1.19 -5.06 120.51 121.61 1jxf n ALA 89 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1jxf n ALA 89 Cb 0.74 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 2.06 0.00 2.71 0.00 0.00 -1.26 -5.14 105.19 103.56 1jxf n GLY 90 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.25 0.34 1.61 -2.45 -1.26 -5.01 119.30 112.78 1jxf s MET 91 Ca 0.00 -0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.35 1jxf s MET 91 Cb 0.00 -0.95 -0.01 0.00 1.25 0.00 0.00 34.83 35.12 1jxf s MET 91 CO 0.00 -0.89 0.41 0.14 1.05 0.00 0.00 175.02 175.73 1jxf s VAL 92 N 2.30 0.00 0.08 10.11 -7.23 -1.26 -2.47 120.40 121.93 1jxf s VAL 92 Ca 0.08 -1.71 -0.23 0.00 -1.81 0.00 0.00 61.98 58.31 1jxf s VAL 92 Cb -0.15 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.25 1jxf s VAL 92 CO -0.26 0.00 0.56 -0.83 -0.31 0.00 0.00 175.10 174.26 1jxf s GLY 93 N -3.27 -0.51 0.40 2.32 0.00 0.14 -4.51 107.32 101.90 1jxf s GLY 93 Ca 0.33 0.60 0.07 0.00 0.00 0.00 0.00 44.72 45.73 1jxf s GLY 93 CO 0.22 0.28 0.02 0.54 0.00 0.00 0.00 173.10 174.16 1jxf s LYS 94 N -2.88 1.98 -0.03 2.90 1.02 -0.82 -1.22 119.74 120.69 1jxf s LYS 94 Ca -0.03 -2.07 -0.07 0.00 0.02 0.00 0.00 55.97 53.82 1jxf s LYS 94 Cb -0.00 -1.68 0.01 0.00 -0.52 0.00 0.00 37.83 35.63 1jxf s LYS 94 CO -0.05 -0.04 0.16 0.08 -0.92 0.00 0.00 175.35 174.58 1jxf s VAL 95 N -2.69 0.04 -0.25 3.17 1.01 0.12 -4.15 120.40 117.65 1jxf s VAL 95 Ca 0.35 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1jxf s VAL 95 Cb 0.09 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.20 1jxf s VAL 95 CO 0.18 -0.20 0.14 -0.69 0.00 0.00 0.00 175.10 174.53 1jxf s VAL 96 N -0.71 -0.12 0.03 2.92 1.01 -1.02 -2.76 120.40 119.76 1jxf s VAL 96 Ca -0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1jxf s VAL 96 Cb -0.05 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1jxf s VAL 96 CO 0.01 -0.57 0.43 -0.69 0.00 0.00 0.00 175.10 174.29 1jxf s VAL 97 N 2.14 4.99 -2.62 2.92 1.01 -1.05 -3.41 120.40 124.38 1jxf s VAL 97 Ca 0.07 0.82 0.21 0.00 0.00 0.00 0.00 61.98 63.08 1jxf s VAL 97 Cb -0.16 -3.72 0.17 0.00 0.00 0.00 0.00 36.38 32.67 1jxf s VAL 97 CO -0.28 0.51 1.16 -0.67 0.00 0.00 0.00 175.10 175.82