#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 1.39 -0.26 0.00 -0.87 -1.26 -4.90 114.94 109.04 1jxf s ASN 2 Ca 0.00 -1.64 -0.29 0.00 -1.57 0.00 0.00 52.86 49.36 1jxf s ASN 2 Cb 0.00 0.49 0.01 0.00 -0.02 0.00 0.00 41.25 41.73 1jxf s ASN 2 CO 0.00 -0.98 1.10 0.00 -2.57 0.00 0.00 177.10 174.65 1jxf s ALA 3 N -3.62 3.59 -0.08 0.60 0.00 -1.13 -4.72 121.76 116.41 1jxf s ALA 3 Ca 0.38 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 1jxf s ALA 3 Cb 0.04 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1jxf s ALA 3 CO 0.22 -1.28 0.80 0.99 0.00 0.00 0.00 175.76 176.49 1jxf s THR 4 N 3.49 4.96 -0.29 0.00 2.01 -1.26 0.11 115.64 124.67 1jxf s THR 4 Ca 0.47 1.64 -0.04 0.00 0.31 0.00 0.00 61.69 64.07 1jxf s THR 4 Cb -0.15 -4.13 0.10 0.00 0.01 0.00 0.00 72.50 68.33 1jxf s THR 4 CO 0.12 0.17 0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1jxf s VAL 5 N 1.21 -0.06 0.37 3.82 1.01 0.73 -4.49 120.40 122.99 1jxf s VAL 5 Ca 0.41 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 1jxf s VAL 5 Cb -0.18 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 1jxf s VAL 5 CO 0.19 -0.72 1.09 -0.54 0.00 0.00 0.00 175.10 175.12 1jxf s LYS 6 N 2.10 4.27 -0.07 2.72 1.02 -0.23 -3.18 119.74 126.36 1jxf s LYS 6 Ca 0.09 1.66 -0.00 0.00 0.02 0.00 0.00 55.97 57.74 1jxf s LYS 6 Cb -0.16 -2.75 -0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1jxf s LYS 6 CO -0.36 -0.08 -0.01 0.52 -0.92 0.00 0.00 175.35 174.50 1jxf h MET 7 N 2.90 0.00 0.00 1.68 2.86 -1.76 -2.23 114.93 118.37 1jxf h MET 7 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1jxf h MET 7 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1jxf h MET 7 CO 0.64 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.02 1jxf n GLY 8 N 1.84 1.07 3.43 8.32 0.00 -1.24 -1.98 105.19 116.63 1jxf n GLY 8 Ca -0.00 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 1jxf n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jxf s SER 9 N -1.00 3.29 -1.33 1.61 1.04 0.22 -4.18 113.70 113.35 1jxf s SER 9 Ca 0.00 -0.99 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 1jxf s SER 9 Cb 0.00 -0.25 0.13 0.00 0.10 0.00 0.00 66.02 66.00 1jxf s SER 9 CO 0.00 0.00 2.11 -0.67 0.98 0.00 0.00 173.24 175.66 1jxf n ASP 10 N -0.37 5.92 0.00 7.02 2.03 -1.26 -4.15 116.55 125.74 1jxf n ASP 10 Ca -0.07 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.18 1jxf n ASP 10 Cb 0.59 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1jxf n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1jxf n SER 11 N 3.53 -0.04 0.00 1.67 2.88 -1.26 -5.03 113.62 115.38 1jxf n SER 11 Ca 0.49 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1jxf n SER 11 Cb 0.33 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.48 0.00 2.90 0.46 0.00 -1.26 -5.03 105.19 100.78 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 -0.21 -0.69 4.61 0.00 -1.26 -5.03 121.76 119.18 1jxf s ALA 13 Ca 0.00 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 1jxf s ALA 13 Cb 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.73 1jxf s ALA 13 CO 0.00 -0.16 1.12 -0.48 0.00 0.00 0.00 175.76 176.24 1jxf s LEU 14 N 1.19 3.73 -0.09 0.00 0.05 -1.26 0.70 118.68 123.01 1jxf s LEU 14 Ca -0.09 -0.64 -0.05 0.00 0.05 0.00 0.00 54.13 53.41 1jxf s LEU 14 Cb -0.12 -2.55 0.04 0.00 -2.05 0.00 0.00 46.19 41.51 1jxf s LEU 14 CO -0.06 -1.62 0.20 0.68 -0.55 0.00 0.00 176.35 175.01 1jxf s VAL 15 N 4.90 -0.04 -0.31 1.48 -7.23 -1.21 -4.76 120.40 113.23 1jxf s VAL 15 Ca 0.30 0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 60.33 1jxf s VAL 15 Cb -0.12 -0.31 0.01 0.00 0.56 0.00 0.00 36.38 36.52 1jxf s VAL 15 CO 0.14 0.06 0.98 -0.36 -0.31 0.00 0.00 175.10 175.61 1jxf s PHE 16 N 1.06 3.17 -0.06 2.82 0.08 -0.84 -3.68 117.98 120.54 1jxf s PHE 16 Ca -0.08 1.09 -0.02 0.00 0.12 0.00 0.00 56.93 58.03 1jxf s PHE 16 Cb -0.09 -3.53 0.04 0.00 -0.57 0.00 0.00 43.02 38.86 1jxf s PHE 16 CO -0.06 -0.69 0.12 -2.00 -0.10 0.00 0.00 175.22 172.48 1jxf s GLU 17 N 3.42 0.06 0.11 0.44 2.12 -0.84 -1.49 118.70 122.53 1jxf s GLU 17 Ca 0.41 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 1jxf s GLU 17 Cb -0.13 -0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.01 1jxf s GLU 17 CO 0.14 -0.16 1.15 -1.25 -0.54 0.00 0.00 175.26 174.59 1jxf s PRO 18 N 1.14 4.51 0.37 4.30 0.04 -1.26 -1.07 135.00 143.02 1jxf s PRO 18 Ca -0.09 1.74 0.10 0.00 0.04 0.00 0.00 61.00 62.78 1jxf s PRO 18 Cb -0.12 -3.32 0.85 0.00 0.04 0.00 0.00 34.50 31.95 1jxf s PRO 18 CO -0.05 -0.10 1.89 0.66 0.04 0.00 0.00 177.00 179.44 1jxf h SER 19 N 6.03 0.61 -3.15 6.66 4.64 -1.59 -3.38 113.55 123.36 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 0.77 0.32 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.32 1jxf s THR 20 N -5.63 1.71 0.04 2.95 2.01 -1.26 0.24 115.64 115.70 1jxf s THR 20 Ca -0.09 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.24 1jxf s THR 20 Cb 0.21 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1jxf s THR 20 CO 0.78 0.48 -0.21 0.68 -0.69 0.00 0.00 174.62 175.67 1jxf s VAL 21 N 1.26 1.65 -0.30 3.82 -7.23 -1.21 -5.04 120.40 113.35 1jxf s VAL 21 Ca 0.01 -1.19 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 1jxf s VAL 21 Cb -0.14 -1.44 0.10 0.00 0.56 0.00 0.00 36.38 35.46 1jxf s VAL 21 CO -0.08 0.20 0.10 -0.89 -0.31 0.00 0.00 175.10 174.12 1jxf s THR 22 N -0.80 0.75 0.54 5.32 2.01 -1.26 -2.17 115.64 120.04 1jxf s THR 22 Ca 0.07 -1.29 0.04 0.00 0.31 0.00 0.00 61.69 60.82 1jxf s THR 22 Cb -0.09 -1.56 0.04 0.00 0.01 0.00 0.00 72.50 70.90 1jxf s THR 22 CO 0.02 -0.66 0.33 2.30 -0.69 0.00 0.00 174.62 175.91 1jxf n ILE 23 N 4.90 0.00 -1.95 1.82 -5.35 -1.20 -5.03 119.36 112.55 1jxf n ILE 23 Ca -0.03 -2.23 -0.29 0.00 -0.27 0.00 0.00 62.75 59.93 1jxf n ILE 23 Cb 0.42 0.08 0.16 0.00 -1.74 0.00 0.00 39.64 38.56 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 -4.17 0.97 -0.07 6.28 -0.14 -1.26 -2.81 119.74 118.53 1jxf s LYS 24 Ca 0.25 -0.33 -0.16 0.00 -1.36 0.00 0.00 55.97 54.36 1jxf s LYS 24 Cb -0.02 -1.89 -0.05 0.00 -1.68 0.00 0.00 37.83 34.19 1jxf s LYS 24 CO 0.16 -2.20 0.44 0.00 -0.76 0.00 0.00 175.35 172.99 1jxf s ALA 25 N -3.79 3.57 0.00 5.17 0.00 -1.26 -3.88 121.76 121.57 1jxf s ALA 25 Ca 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1jxf s ALA 25 Cb -0.05 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1jxf s ALA 25 CO 0.52 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.89 1jxf n GLY 26 N 2.68 3.37 3.87 0.00 0.00 -0.06 -4.94 105.19 110.10 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 -0.85 -0.02 0.50 1.61 2.56 -1.25 -4.67 118.70 116.57 1jxf s GLU 27 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.97 54.53 1jxf s GLU 27 Cb 0.00 -1.77 -0.01 0.00 2.00 0.00 0.00 34.13 34.34 1jxf s GLU 27 CO 0.00 -2.85 0.02 -1.21 -0.56 0.00 0.00 175.26 170.66 1jxf s GLU 28 N -5.87 2.16 -0.12 4.30 8.01 -1.26 -0.90 118.70 125.02 1jxf s GLU 28 Ca 0.76 -2.37 -0.04 0.00 0.01 0.00 0.00 54.97 53.33 1jxf s GLU 28 Cb -0.03 -1.38 0.06 0.00 -4.31 0.00 0.00 34.13 28.47 1jxf s GLU 28 CO 0.54 -0.39 0.17 0.08 0.01 0.00 0.00 175.26 175.68 1jxf s VAL 29 N -2.93 -0.27 0.60 2.63 1.01 -0.83 -2.83 120.40 117.79 1jxf s VAL 29 Ca 0.08 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1jxf s VAL 29 Cb 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1jxf s VAL 29 CO 0.05 0.02 0.97 -0.75 0.00 0.00 0.00 175.10 175.39 1jxf s LYS 30 N 2.29 3.43 0.40 2.72 2.20 0.31 -1.99 119.74 129.09 1jxf s LYS 30 Ca 0.04 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 1jxf s LYS 30 Cb -0.13 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 1jxf s LYS 30 CO -0.08 -0.57 0.08 -1.58 -0.36 0.00 0.00 175.35 172.85 1jxf s TRP 31 N -3.09 1.89 -0.03 4.03 0.51 0.72 -0.19 118.94 122.77 1jxf s TRP 31 Ca 0.54 -1.10 0.01 0.00 -2.12 0.00 0.00 56.10 53.42 1jxf s TRP 31 Cb -0.11 -1.29 0.02 0.00 -0.81 0.00 0.00 33.47 31.28 1jxf s TRP 31 CO 0.51 -0.09 -0.03 0.08 -0.51 0.00 0.00 176.95 176.91 1jxf s VAL 32 N -3.17 0.35 -0.00 4.03 1.01 -1.19 -3.96 120.40 117.46 1jxf s VAL 32 Ca 0.26 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1jxf s VAL 32 Cb 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1jxf s VAL 32 CO 0.13 0.17 1.15 0.21 0.00 0.00 0.00 175.10 176.76 1jxf s ASN 33 N 0.76 7.13 0.49 3.32 2.47 -1.18 -2.72 114.94 125.21 1jxf s ASN 33 Ca -0.09 1.86 0.02 0.00 0.42 0.00 0.00 52.86 55.07 1jxf s ASN 33 Cb -0.12 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.09 1jxf s ASN 33 CO -0.01 -0.47 0.01 0.20 -3.72 0.00 0.00 177.10 173.11 1jxf s ASN 34 N 1.20 4.03 0.87 -4.21 -0.87 -1.26 -4.47 114.94 110.24 1jxf s ASN 34 Ca 0.56 -1.61 -0.13 0.00 -1.57 0.00 0.00 52.86 50.12 1jxf s ASN 34 Cb -0.26 0.37 0.14 0.00 -0.02 0.00 0.00 41.25 41.49 1jxf s ASN 34 CO 0.26 -0.79 1.22 -0.54 -2.57 0.00 0.00 177.10 174.68 1jxf s LYS 35 N -3.84 1.29 0.00 -0.60 -0.14 -1.26 -4.75 119.74 110.43 1jxf s LYS 35 Ca 0.11 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.43 1jxf s LYS 35 Cb 0.03 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 1jxf s LYS 35 CO 0.06 -1.97 0.00 1.28 -0.76 0.00 0.00 175.35 173.96 1jxf n LEU 36 N -3.47 -2.00 -4.90 3.17 4.77 -1.26 -4.79 117.00 108.52 1jxf n LEU 36 Ca 0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.82 1jxf n LEU 36 Cb 0.60 -1.00 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1jxf n LEU 36 CO 0.50 0.00 0.53 -0.94 -1.33 0.00 0.00 177.39 176.15 1jxf s SER 37 N -1.99 5.97 0.69 -1.43 1.04 -1.26 -4.36 113.70 112.36 1jxf s SER 37 Ca 0.00 0.93 -0.11 0.00 0.48 0.00 0.00 55.95 57.25 1jxf s SER 37 Cb 0.00 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 64.06 1jxf s SER 37 CO 0.00 -0.84 1.06 -2.16 0.98 0.00 0.00 173.24 172.28 1jxf s PRO 38 N -4.93 2.95 -0.19 4.02 0.04 -1.26 -5.15 135.00 130.49 1jxf s PRO 38 Ca 0.51 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 1jxf s PRO 38 Cb -0.11 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.51 1jxf s PRO 38 CO 0.47 -1.09 0.09 -1.01 0.04 0.00 0.00 177.00 175.50 1jxf s HIS 39 N -3.02 0.29 0.34 0.56 3.76 -1.25 -4.81 115.29 111.17 1jxf s HIS 39 Ca 0.58 -0.44 0.05 0.00 -0.15 0.00 0.00 55.06 55.10 1jxf s HIS 39 Cb -0.14 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 1jxf s HIS 39 CO 0.54 -0.56 0.19 -0.80 -0.85 0.00 0.00 174.74 173.26 1jxf s ASN 40 N 2.11 1.92 -0.31 1.40 0.01 -1.26 -3.65 114.94 115.14 1jxf s ASN 40 Ca 0.03 -1.66 0.03 0.00 -0.71 0.00 0.00 52.86 50.54 1jxf s ASN 40 Cb -0.16 0.48 0.09 0.00 0.41 0.00 0.00 41.25 42.07 1jxf s ASN 40 CO -0.12 -0.96 0.02 -0.63 -1.51 0.00 0.00 177.10 173.90 1jxf s ILE 41 N -3.45 1.92 -0.35 0.60 1.09 -0.77 -4.47 121.20 115.77 1jxf s ILE 41 Ca 0.34 -1.94 -0.05 0.00 -1.10 0.00 0.00 60.65 57.90 1jxf s ILE 41 Cb 0.03 -2.34 0.06 0.00 -1.06 0.00 0.00 42.46 39.15 1jxf s ILE 41 CO 0.20 -0.48 0.11 0.68 -0.10 0.00 0.00 174.94 175.35 1jxf s VAL 42 N 1.12 3.53 -0.46 2.92 -7.23 -1.18 -0.16 120.40 118.93 1jxf s VAL 42 Ca 0.06 -1.38 -0.24 0.00 -1.81 0.00 0.00 61.98 58.62 1jxf s VAL 42 Cb -0.19 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.69 1jxf s VAL 42 CO -0.10 -0.28 0.83 -0.36 -0.31 0.00 0.00 175.10 174.88 1jxf s PHE 43 N 1.32 2.96 -0.41 2.82 0.08 -1.26 -2.49 117.98 120.99 1jxf s PHE 43 Ca -0.01 0.17 -0.24 0.00 0.12 0.00 0.00 56.93 56.97 1jxf s PHE 43 Cb -0.20 -3.77 0.02 0.00 -0.57 0.00 0.00 43.02 38.50 1jxf s PHE 43 CO 0.01 -1.05 0.86 0.00 -0.10 0.00 0.00 175.22 174.93 1jxf s ALA 44 N 3.44 3.33 -0.92 5.36 0.00 -0.19 -4.73 121.76 128.06 1jxf s ALA 44 Ca 0.31 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 51.30 1jxf s ALA 44 Cb -0.12 -3.51 -0.23 0.00 0.00 0.00 0.00 23.12 19.27 1jxf s ALA 44 CO 0.23 -1.78 2.49 0.00 0.00 0.00 0.00 175.76 176.70 1jxf n ALA 45 N 6.78 0.60 -3.57 0.00 0.00 -1.26 -4.27 120.51 118.79 1jxf n ALA 45 Ca 0.05 -0.60 -0.28 0.00 0.00 0.00 0.00 53.44 52.61 1jxf n ALA 45 Cb 0.48 -2.51 -0.09 0.00 0.00 0.00 0.00 19.45 17.33 1jxf n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jxf n ASP 46 N 10.42 3.58 0.00 0.00 5.75 -1.26 -4.72 116.55 130.32 1jxf n ASP 46 Ca 0.61 -3.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 1jxf n ASP 46 Cb 0.16 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 1jxf n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jxf n GLY 47 N 1.22 1.75 3.72 6.12 0.00 -1.26 -4.75 105.19 111.97 1jxf n GLY 47 Ca 0.27 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.48 1.61 3.14 -1.26 -4.94 118.33 115.39 1jxf n VAL 48 Ca 0.00 -1.34 -0.29 0.00 -2.96 0.00 0.00 64.34 59.75 1jxf n VAL 48 Cb 0.00 -1.09 0.14 0.00 -1.06 0.00 0.00 33.84 31.83 1jxf n VAL 48 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jxf s ASP 49 N -5.12 3.34 -0.06 6.55 2.15 -1.26 -4.88 116.67 117.38 1jxf s ASP 49 Ca 0.66 0.98 -0.01 0.00 0.43 0.00 0.00 52.55 54.62 1jxf s ASP 49 Cb -0.03 -1.56 -0.00 0.00 -0.30 0.00 0.00 42.92 41.02 1jxf s ASP 49 CO 0.45 -2.66 -0.01 0.00 -0.17 0.00 0.00 175.17 172.77 1jxf h ALA 50 N -1.57 0.00 -0.84 3.66 0.00 -1.98 -2.76 119.26 115.77 1jxf h ALA 50 Ca -0.51 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 54.57 1jxf h ALA 50 Cb 1.33 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1jxf h ALA 50 CO 0.61 0.03 0.22 -0.44 0.00 0.00 0.00 179.25 179.67 1jxf h ASP 51 N -0.56 0.02 0.42 0.00 5.19 -1.98 0.61 116.42 120.11 1jxf h ASP 51 Ca 0.00 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1jxf h ASP 51 Cb 0.03 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1jxf h ASP 51 CO 0.00 -0.11 -0.36 0.74 -3.12 0.00 0.00 179.24 176.39 1jxf h THR 52 N 0.24 0.26 0.00 0.35 2.02 -1.97 -0.40 112.91 113.42 1jxf h THR 52 Ca 0.51 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.69 1jxf h THR 52 Cb 0.98 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1jxf h THR 52 CO -0.61 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.28 1jxf h ALA 53 N -0.36 1.27 -0.10 6.16 0.00 -0.65 -0.98 119.26 124.60 1jxf h ALA 53 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jxf h ALA 53 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jxf h ALA 53 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1jxf n ALA 54 N -2.21 -0.44 -0.30 0.00 0.00 0.19 -0.16 120.51 117.59 1jxf n ALA 54 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1jxf n ALA 54 Cb 0.08 0.04 0.23 0.00 0.00 0.00 0.00 19.45 19.81 1jxf n ALA 54 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1jxf h LYS 55 N 0.00 1.02 -0.87 0.00 2.10 -1.27 0.48 116.57 118.03 1jxf h LYS 55 Ca 0.00 -0.06 0.14 0.00 -2.00 0.00 0.00 60.65 58.73 1jxf h LYS 55 Cb 0.00 -0.23 -0.07 0.00 -0.90 0.00 0.00 32.23 31.03 1jxf h LYS 55 CO 0.00 0.67 0.56 -0.07 -2.00 0.00 0.00 179.45 178.62 1jxf h LEU 56 N 1.05 0.62 -9.48 7.07 4.07 -1.04 -3.40 115.31 114.20 1jxf h LEU 56 Ca 0.38 0.04 -0.53 0.00 0.08 0.00 0.00 57.88 57.85 1jxf h LEU 56 Cb 0.15 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1jxf h LEU 56 CO -0.14 0.32 0.37 -0.94 -1.08 0.00 0.00 178.44 176.98 1jxf s SER 57 N -5.82 7.42 -0.31 -0.43 1.04 0.77 -4.75 113.70 111.62 1jxf s SER 57 Ca -0.10 1.73 -0.01 0.00 0.48 0.00 0.00 55.95 58.05 1jxf s SER 57 Cb 0.22 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 63.86 1jxf s SER 57 CO 0.78 -0.18 0.11 -1.38 0.98 0.00 0.00 173.24 173.56 1jxf s HIS 58 N 0.55 1.49 0.00 5.02 -3.43 0.77 -4.91 115.29 114.78 1jxf s HIS 58 Ca 0.50 -1.62 0.00 0.00 -0.80 0.00 0.00 55.06 53.14 1jxf s HIS 58 Cb -0.22 -1.59 0.00 0.00 -1.43 0.00 0.00 32.58 29.34 1jxf s HIS 58 CO 0.29 -0.87 0.20 1.63 -2.00 0.00 0.00 174.74 174.00 1jxf n LYS 59 N 4.87 0.00 0.00 -0.38 5.02 -1.24 -1.85 118.16 124.57 1jxf n LYS 59 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1jxf n LYS 59 Cb 0.42 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1jxf n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jxf n GLY 60 N 0.95 1.32 2.48 0.72 0.00 -1.26 -4.08 105.19 105.31 1jxf n GLY 60 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -3.55 -4.77 0.99 7.99 -1.26 -5.00 117.00 111.40 1jxf n LEU 61 Ca 0.00 -0.39 -0.39 0.00 -0.01 0.00 0.00 56.01 55.23 1jxf n LEU 61 Cb 0.00 -2.08 -0.06 0.00 -0.11 0.00 0.00 43.42 41.17 1jxf n LEU 61 CO 0.00 0.17 0.28 0.00 -1.51 0.00 0.00 177.39 176.33 1jxf s ALA 62 N -3.22 3.50 -0.18 -1.18 0.00 -1.24 -4.92 121.76 114.53 1jxf s ALA 62 Ca 0.10 0.02 0.15 0.00 0.00 0.00 0.00 51.96 52.22 1jxf s ALA 62 Cb -0.01 -2.72 0.44 0.00 0.00 0.00 0.00 23.12 20.83 1jxf s ALA 62 CO 0.44 0.20 1.19 1.19 0.00 0.00 0.00 175.76 178.78 1jxf n PHE 63 N 2.61 0.57 -4.72 0.00 3.72 -1.26 -3.82 117.46 114.57 1jxf n PHE 63 Ca -0.07 -1.44 -0.31 0.00 -0.05 0.00 0.00 57.45 55.58 1jxf n PHE 63 Cb 0.51 -0.24 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1jxf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jxf n ALA 64 N -0.64 0.41 -3.96 4.37 0.00 -1.26 -4.99 120.51 114.45 1jxf n ALA 64 Ca 0.19 -2.17 -0.31 0.00 0.00 0.00 0.00 53.44 51.16 1jxf n ALA 64 Cb 0.85 1.19 -0.14 0.00 0.00 0.00 0.00 19.45 21.35 1jxf n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jxf s ALA 65 N -2.84 3.18 0.00 0.00 0.00 -1.26 -4.35 121.76 116.49 1jxf s ALA 65 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 48.93 1jxf s ALA 65 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1jxf s ALA 65 CO 0.00 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.26 1jxf n GLY 66 N 3.50 1.05 3.65 0.00 0.00 -1.26 -5.05 105.19 107.08 1jxf n GLY 66 Ca 0.05 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 4.09 0.25 1.61 0.41 -1.26 -4.84 118.70 118.96 1jxf s GLU 67 Ca 0.00 1.55 0.10 0.00 -0.41 0.00 0.00 54.97 56.21 1jxf s GLU 67 Cb 0.00 -3.84 -0.04 0.00 -1.78 0.00 0.00 34.13 28.47 1jxf s GLU 67 CO 0.00 -0.90 -0.09 -1.12 -0.49 0.00 0.00 175.26 172.66 1jxf s SER 68 N 2.50 4.18 0.47 -0.19 0.01 -1.26 -3.07 113.70 116.34 1jxf s SER 68 Ca 0.57 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 57.14 1jxf s SER 68 Cb -0.21 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 1jxf s SER 68 CO 0.19 0.04 0.05 -0.36 0.41 0.00 0.00 173.24 173.57 1jxf s PHE 69 N -2.20 2.15 0.04 2.43 0.08 -1.25 -4.89 117.98 114.35 1jxf s PHE 69 Ca 0.29 -0.81 -0.06 0.00 0.12 0.00 0.00 56.93 56.47 1jxf s PHE 69 Cb -0.07 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1jxf s PHE 69 CO 0.17 0.26 0.11 0.99 -0.10 0.00 0.00 175.22 176.65 1jxf s THR 70 N -2.78 0.13 0.00 0.64 2.01 -1.26 -0.20 115.64 114.18 1jxf s THR 70 Ca 0.21 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1jxf s THR 70 Cb 0.05 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 1jxf s THR 70 CO 0.11 -0.61 -0.05 -0.55 -0.69 0.00 0.00 174.62 172.84 1jxf s SER 71 N -2.21 0.52 -0.67 3.53 0.15 -0.84 -4.88 113.70 109.29 1jxf s SER 71 Ca -0.04 -0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.24 1jxf s SER 71 Cb -0.00 -0.04 0.07 0.00 -1.71 0.00 0.00 66.02 64.34 1jxf s SER 71 CO -0.05 0.01 0.98 -0.89 1.20 0.00 0.00 173.24 174.49 1jxf s THR 72 N -0.29 4.31 -0.89 6.45 2.01 -1.26 -1.96 115.64 124.01 1jxf s THR 72 Ca -0.00 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1jxf s THR 72 Cb -0.03 -4.70 -0.00 0.00 0.01 0.00 0.00 72.50 67.78 1jxf s THR 72 CO -0.00 -1.48 2.82 0.49 -0.69 0.00 0.00 174.62 175.76 1jxf n PHE 73 N 7.74 1.82 0.00 4.92 3.01 -0.07 -4.61 117.46 130.26 1jxf n PHE 73 Ca -0.03 -2.38 0.00 0.00 1.01 0.00 0.00 57.45 56.06 1jxf n PHE 73 Cb 0.46 -1.78 0.00 0.00 -0.01 0.00 0.00 39.48 38.15 1jxf n PHE 73 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jxf n THR 74 N 1.93 0.00 -1.81 4.37 -1.04 -1.26 -0.88 114.28 115.59 1jxf n THR 74 Ca 0.58 0.74 -0.42 0.00 -2.04 0.00 0.00 64.05 62.91 1jxf n THR 74 Cb 0.45 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1jxf n THR 74 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1jxf s GLU 75 N -1.47 4.16 -0.32 -2.82 0.41 -1.26 -3.56 118.70 113.84 1jxf s GLU 75 Ca 0.00 2.48 -0.29 0.00 -0.41 0.00 0.00 54.97 56.75 1jxf s GLU 75 Cb 0.00 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.71 1jxf s GLU 75 CO 0.00 -0.80 1.36 -1.25 -0.49 0.00 0.00 175.26 174.07 1jxf s PRO 76 N 2.84 3.82 0.00 0.39 0.04 -1.26 -4.86 135.00 135.97 1jxf s PRO 76 Ca 0.78 1.21 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1jxf s PRO 76 Cb -0.43 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1jxf s PRO 76 CO 0.35 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1jxf n GLY 77 N 4.53 2.48 2.78 0.56 0.00 -1.24 -4.95 105.19 109.35 1jxf n GLY 77 Ca 0.16 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.57 1.44 0.03 2.61 2.01 -1.26 -1.59 115.64 116.31 1jxf s THR 78 Ca 0.00 -2.21 -0.19 0.00 0.31 0.00 0.00 61.69 59.60 1jxf s THR 78 Cb 0.00 -2.04 -0.06 0.00 0.01 0.00 0.00 72.50 70.41 1jxf s THR 78 CO 0.00 -0.78 0.56 -0.31 -0.69 0.00 0.00 174.62 173.41 1jxf s TYR 79 N 0.79 3.74 -0.24 4.92 2.02 -1.19 -4.54 117.35 122.85 1jxf s TYR 79 Ca 0.14 1.20 -0.01 0.00 -0.37 0.00 0.00 57.07 58.03 1jxf s TYR 79 Cb -0.22 -2.53 0.03 0.00 -0.40 0.00 0.00 41.96 38.84 1jxf s TYR 79 CO -0.09 0.47 -0.07 0.99 -1.57 0.00 0.00 175.55 175.28 1jxf s THR 80 N -0.64 2.75 -0.16 -0.71 2.01 -1.26 -0.52 115.64 117.11 1jxf s THR 80 Ca 0.29 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 1jxf s THR 80 Cb -0.19 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 1jxf s THR 80 CO 0.17 0.20 -0.14 -0.72 -0.69 0.00 0.00 174.62 173.44 1jxf s TYR 81 N 1.30 2.81 0.45 4.92 1.13 -0.93 -1.03 117.35 126.00 1jxf s TYR 81 Ca -0.00 -1.02 0.01 0.00 -1.41 0.00 0.00 57.07 54.65 1jxf s TYR 81 Cb -0.17 -1.91 -0.00 0.00 -1.10 0.00 0.00 41.96 38.78 1jxf s TYR 81 CO -0.05 -0.47 0.04 2.48 -2.51 0.00 0.00 175.55 175.03 1jxf n TYR 82 N 4.12 0.82 -2.84 -3.49 0.18 -1.04 -2.12 117.16 112.80 1jxf n TYR 82 Ca -0.19 -2.37 -0.42 0.00 1.88 0.00 0.00 57.90 56.81 1jxf n TYR 82 Cb 0.52 -0.23 -0.04 0.00 -0.38 0.00 0.00 39.34 39.21 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 7.18 -0.01 0.16 0.00 4.81 -1.91 -1.10 114.58 123.72 1jxf h GLU 84 Ca -0.31 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1jxf h GLU 84 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1jxf h GLU 84 CO 0.83 -0.00 -0.08 -1.00 -0.73 0.00 0.00 179.01 178.03 1jxf h PRO 85 N -0.01 -0.21 -2.80 0.92 0.13 -1.92 -3.33 132.00 124.79 1jxf h PRO 85 Ca 0.40 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.97 1jxf h PRO 85 Cb 0.62 0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.81 1jxf h PRO 85 CO -0.87 0.14 3.02 0.72 -0.23 0.00 0.00 178.00 180.77 1jxf n HIS 86 N -4.91 1.94 -2.91 1.56 8.25 -0.85 -4.73 115.22 113.58 1jxf n HIS 86 Ca -0.06 -2.78 -0.43 0.00 -0.26 0.00 0.00 57.72 54.19 1jxf n HIS 86 Cb 0.22 -2.32 0.01 0.00 1.12 0.00 0.00 29.99 29.02 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 3.36 4.33 0.00 -0.41 1.85 -0.48 -3.82 116.66 121.50 1jxf n ARG 87 Ca 0.72 -4.40 0.00 0.00 -1.00 0.00 0.00 57.85 53.17 1jxf n ARG 87 Cb 0.37 -2.57 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 1jxf n ARG 87 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jxf n GLY 88 N 1.58 0.51 0.16 2.89 0.00 -1.26 -5.08 105.19 104.00 1jxf n GLY 88 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 2.00 -2.02 4.61 0.00 -1.26 -5.05 120.51 118.78 1jxf n ALA 89 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 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 3.78 -0.56 2.70 0.00 0.00 -1.26 -5.10 105.19 104.75 1jxf n GLY 90 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.01 0.33 0.20 1.61 -2.45 -1.26 -5.00 119.30 112.74 1jxf s MET 91 Ca 0.00 -0.34 -0.07 0.00 -1.25 0.00 0.00 55.69 54.03 1jxf s MET 91 Cb 0.02 -0.79 -0.02 0.00 1.25 0.00 0.00 34.83 35.29 1jxf s MET 91 CO -0.01 -1.05 0.29 0.08 1.05 0.00 0.00 175.02 175.38 1jxf s VAL 92 N 2.16 0.03 -0.00 10.11 1.01 -1.26 -4.03 120.40 128.42 1jxf s VAL 92 Ca 0.10 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.50 1jxf s VAL 92 Cb -0.15 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1jxf s VAL 92 CO -0.30 -0.14 -0.03 -0.83 0.00 0.00 0.00 175.10 173.81 1jxf s GLY 93 N -3.04 0.14 0.05 4.51 0.00 -0.90 -4.50 107.32 103.57 1jxf s GLY 93 Ca 0.25 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1jxf s GLY 93 CO 0.06 -0.07 0.05 1.25 0.00 0.00 0.00 173.10 174.39 1jxf s LYS 94 N -0.02 2.84 0.09 2.90 2.47 0.14 -2.20 119.74 125.95 1jxf s LYS 94 Ca 0.01 -0.65 0.10 0.00 -1.56 0.00 0.00 55.97 53.86 1jxf s LYS 94 Cb -0.02 -2.71 -0.03 0.00 -1.46 0.00 0.00 37.83 33.61 1jxf s LYS 94 CO -0.00 0.59 -0.25 0.08 0.16 0.00 0.00 175.35 175.93 1jxf s VAL 95 N -1.27 2.05 -0.25 4.02 1.01 0.32 -3.30 120.40 122.98 1jxf s VAL 95 Ca 0.25 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 1jxf s VAL 95 Cb -0.12 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.57 1jxf s VAL 95 CO 0.17 0.16 0.20 -0.69 0.00 0.00 0.00 175.10 174.93 1jxf s VAL 96 N -0.97 -0.24 -0.06 2.92 1.01 -0.92 -3.18 120.40 118.96 1jxf s VAL 96 Ca 0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 1jxf s VAL 96 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1jxf s VAL 96 CO 0.04 -0.44 0.16 -0.69 0.00 0.00 0.00 175.10 174.17 1jxf s VAL 97 N 2.24 5.47 -2.23 2.92 1.01 -0.62 -3.21 120.40 125.98 1jxf s VAL 97 Ca 0.07 0.02 0.18 0.00 0.00 0.00 0.00 61.98 62.25 1jxf s VAL 97 Cb -0.15 -3.48 0.14 0.00 0.00 0.00 0.00 36.38 32.89 1jxf s VAL 97 CO -0.25 0.46 1.07 0.47 0.00 0.00 0.00 175.10 176.85