#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxi n ALA 2 N 0.00 4.93 -2.43 -5.12 0.00 -1.26 -5.01 120.51 111.62 2jxi n ALA 2 Ca 0.00 -4.78 -0.43 0.00 0.00 0.00 0.00 53.44 48.23 2jxi n ALA 2 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 2jxi n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jxi s THR 3 N -2.89 3.94 0.13 0.00 -4.23 -1.26 -5.00 115.64 106.33 2jxi s THR 3 Ca 0.35 0.91 -0.00 0.00 -1.18 0.00 0.00 61.69 61.76 2jxi s THR 3 Cb 0.10 -4.40 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 2jxi s THR 3 CO 0.05 -0.98 0.30 -0.89 -0.54 0.00 0.00 174.62 172.56 2jxi s THR 4 N 5.39 5.29 -0.33 3.99 2.01 -1.26 -5.03 115.64 125.70 2jxi s THR 4 Ca 0.54 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 2jxi s THR 4 Cb -0.11 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2jxi s THR 4 CO 0.30 -0.01 1.64 -0.89 -0.69 0.00 0.00 174.62 174.97 2jxi s THR 5 N -1.68 3.65 0.44 -0.82 2.01 -1.26 -4.98 115.64 113.00 2jxi s THR 5 Ca 0.37 0.68 0.07 0.00 0.31 0.00 0.00 61.69 63.11 2jxi s THR 5 Cb -0.12 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2jxi s THR 5 CO 0.28 -0.48 0.23 -0.76 -0.69 0.00 0.00 174.62 173.19 2jxi s LEU 6 N 6.07 3.01 -0.98 4.42 1.43 -1.26 -5.07 118.68 126.30 2jxi s LEU 6 Ca 0.73 -1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 2jxi s LEU 6 Cb -0.21 -1.40 0.18 0.00 0.03 0.00 0.00 46.19 44.79 2jxi s LEU 6 CO 0.32 -0.68 1.10 -0.83 0.23 0.00 0.00 176.35 176.49 2jxi s GLY 7 N -3.99 2.36 -0.16 -3.19 0.00 -1.26 -5.00 107.32 96.08 2jxi s GLY 7 Ca 0.38 -3.15 -0.06 0.00 0.00 0.00 0.00 44.72 41.89 2jxi s GLY 7 CO 0.21 1.75 0.04 0.14 0.00 0.00 0.00 173.10 175.24 2jxi s VAL 8 N 1.37 4.57 -0.24 1.40 1.01 -1.26 -5.08 120.40 122.16 2jxi s VAL 8 Ca 0.31 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2jxi s VAL 8 Cb -0.06 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2jxi s VAL 8 CO -0.07 0.50 0.61 -0.54 0.00 0.00 0.00 175.10 175.60 2jxi s LYS 9 N 0.06 4.12 0.04 2.72 1.02 -1.26 -5.05 119.74 121.39 2jxi s LYS 9 Ca 0.04 0.53 0.06 0.00 0.02 0.00 0.00 55.97 56.61 2jxi s LYS 9 Cb -0.12 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2jxi s LYS 9 CO 0.01 -0.37 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.40 2jxi s LEU 10 N 2.36 2.16 0.49 3.17 1.43 -1.26 -5.15 118.68 121.88 2jxi s LEU 10 Ca 0.26 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 2jxi s LEU 10 Cb -0.16 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 2jxi s LEU 10 CO 0.09 0.09 0.85 -0.62 0.23 0.00 0.00 176.35 176.99 2jxi s ASP 11 N -1.10 6.36 0.08 2.29 -1.08 -1.26 -4.93 116.67 117.03 2jxi s ASP 11 Ca 0.04 1.14 -0.34 0.00 -0.52 0.00 0.00 52.55 52.87 2jxi s ASP 11 Cb -0.08 -2.34 -0.17 0.00 -1.46 0.00 0.00 42.92 38.88 2jxi s ASP 11 CO 0.01 -0.59 1.59 0.44 0.52 0.00 0.00 175.17 177.14 2jxi h ASP 12 N 0.47 -1.16 0.02 -0.34 5.19 -2.01 -0.56 116.42 118.03 2jxi h ASP 12 Ca -0.46 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 55.99 2jxi h ASP 12 Cb 1.19 0.37 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 2jxi h ASP 12 CO 0.62 -0.63 -0.09 1.55 -3.12 0.00 0.00 179.24 177.57 2jxi h PRO 13 N -0.97 0.17 -0.70 3.56 0.13 -2.00 -1.81 132.00 130.39 2jxi h PRO 13 Ca -0.06 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.96 2jxi h PRO 13 Cb 0.82 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 2jxi h PRO 13 CO 0.00 0.28 0.15 1.15 -0.23 0.00 0.00 178.00 179.35 2jxi h THR 14 N 0.17 1.26 -0.79 1.56 2.02 -1.90 -0.79 112.91 114.44 2jxi h THR 14 Ca 0.04 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 2jxi h THR 14 Cb 0.27 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2jxi h THR 14 CO 0.01 0.38 0.34 -0.09 0.37 0.00 0.00 175.52 176.53 2jxi h ARG 15 N 1.06 1.17 -0.48 6.66 9.65 -0.25 -1.14 114.38 131.05 2jxi h ARG 15 Ca 0.22 -0.20 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 2jxi h ARG 15 Cb 0.39 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2jxi h ARG 15 CO 0.01 0.93 -0.23 0.93 2.80 0.00 0.00 179.97 184.41 2jxi h GLU 16 N 1.14 1.00 -0.45 0.20 5.08 -1.07 -2.48 114.58 118.00 2jxi h GLU 16 Ca 0.27 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2jxi h GLU 16 Cb 0.18 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jxi h GLU 16 CO -0.03 1.12 0.10 0.00 -1.00 0.00 0.00 179.01 179.20 2jxi h ARG 17 N 0.85 0.67 -0.67 2.33 3.08 -0.86 -0.38 114.38 119.41 2jxi h ARG 17 Ca 0.11 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2jxi h ARG 17 Cb 0.82 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2jxi h ARG 17 CO 0.07 0.62 0.43 1.25 -1.07 0.00 0.00 179.97 181.27 2jxi h LEU 18 N 0.66 0.78 -0.57 3.04 5.85 -0.94 0.22 115.31 124.35 2jxi h LEU 18 Ca 0.15 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 2jxi h LEU 18 Cb 0.26 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2jxi h LEU 18 CO -0.00 0.58 -0.11 0.50 -0.34 0.00 0.00 178.44 179.07 2jxi h LYS 19 N 0.91 1.03 -0.70 1.25 3.64 -0.92 -1.93 116.57 119.85 2jxi h LYS 19 Ca 0.24 -0.38 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 2jxi h LYS 19 Cb -0.08 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 2jxi h LYS 19 CO -0.05 1.07 0.15 0.00 -2.27 0.00 0.00 179.45 178.35 2jxi h ALA 20 N 0.95 0.92 -0.45 5.00 0.00 -0.56 -2.44 119.26 122.68 2jxi h ALA 20 Ca 0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2jxi h ALA 20 Cb 0.68 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jxi h ALA 20 CO 0.05 0.66 0.07 0.00 0.00 0.00 0.00 179.25 180.03 2jxi h ALA 21 N 1.08 1.28 -1.01 0.00 0.00 -0.40 -2.43 119.26 117.78 2jxi h ALA 21 Ca 0.22 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jxi h ALA 21 Cb 0.40 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2jxi h ALA 21 CO 0.01 0.50 0.66 0.00 0.00 0.00 0.00 179.25 180.42 2jxi h ALA 22 N 1.41 1.30 -0.31 0.00 0.00 -0.88 -1.66 119.26 119.12 2jxi h ALA 22 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2jxi h ALA 22 Cb 0.32 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jxi h ALA 22 CO 0.00 0.63 -0.15 1.96 0.00 0.00 0.00 179.25 181.70 2jxi h GLN 23 N 1.33 0.53 -0.08 0.00 1.08 -1.15 0.90 115.11 117.73 2jxi h GLN 23 Ca 0.38 -0.17 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 2jxi h GLN 23 Cb -0.10 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 2jxi h GLN 23 CO -0.10 0.67 -0.48 0.77 -0.95 0.00 0.00 178.83 178.74 2jxi h SER 24 N 0.49 0.22 -0.13 1.46 0.02 -1.08 -2.89 113.55 111.63 2jxi h SER 24 Ca 0.09 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2jxi h SER 24 Cb 0.54 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2jxi h SER 24 CO 0.03 0.67 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 2jxi n ILE 25 N -3.97 0.15 -3.48 3.27 3.06 -0.76 -4.96 119.36 112.68 2jxi n ILE 25 Ca -0.02 -0.46 -0.19 0.00 -2.50 0.00 0.00 62.75 59.59 2jxi n ILE 25 Cb 0.53 0.90 0.09 0.00 0.54 0.00 0.00 39.64 41.69 2jxi n ILE 25 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2jxi n ASP 26 N 0.87 -3.18 -4.22 9.51 2.03 -0.46 -5.02 116.55 116.07 2jxi n ASP 26 Ca 0.17 -0.60 -0.17 0.00 0.52 0.00 0.00 54.79 54.71 2jxi n ASP 26 Cb 0.48 -5.10 -0.11 0.00 -0.72 0.00 0.00 41.12 35.68 2jxi n ASP 26 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jxi s ARG 27 N -5.62 0.96 0.27 -0.67 3.00 0.19 -5.03 118.95 112.05 2jxi s ARG 27 Ca 0.16 -1.21 -0.29 0.00 0.00 0.00 0.00 55.73 54.38 2jxi s ARG 27 Cb -0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 34.95 34.02 2jxi s ARG 27 CO 0.73 0.14 1.17 -0.08 0.00 0.00 0.00 175.30 177.26 2jxi s THR 28 N -2.26 3.30 0.41 0.02 -1.32 -1.26 -4.23 115.64 110.30 2jxi s THR 28 Ca 0.08 1.26 0.17 0.00 -1.21 0.00 0.00 61.69 61.99 2jxi s THR 28 Cb -0.04 -3.80 0.38 0.00 -1.51 0.00 0.00 72.50 67.53 2jxi s THR 28 CO 0.02 0.28 1.84 -0.65 -2.21 0.00 0.00 174.62 173.90 2jxi h PRO 29 N 4.02 0.41 -0.70 7.08 0.11 -1.92 -0.22 132.00 140.79 2jxi h PRO 29 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2jxi h PRO 29 Cb 1.22 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2jxi h PRO 29 CO 0.68 0.27 0.28 1.25 -0.21 0.00 0.00 178.00 180.27 2jxi h HIS 30 N 0.43 1.06 -0.05 0.65 2.76 -1.99 -2.40 115.15 115.61 2jxi h HIS 30 Ca 0.49 -0.08 -0.23 0.00 -2.20 0.00 0.00 60.37 58.36 2jxi h HIS 30 Cb 1.21 -0.32 0.01 0.00 1.55 0.00 0.00 27.41 29.86 2jxi h HIS 30 CO -0.00 0.82 -0.89 2.35 -1.30 0.00 0.00 177.93 178.91 2jxi h TRP 31 N 0.99 0.78 0.00 5.26 2.91 -1.52 -3.25 115.95 121.12 2jxi h TRP 31 Ca 0.23 -0.39 -0.02 0.00 1.13 0.00 0.00 58.89 59.84 2jxi h TRP 31 Cb 0.21 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 2jxi h TRP 31 CO 0.02 1.20 -0.12 1.25 -1.03 0.00 0.00 178.44 179.76 2jxi h LEU 32 N 0.34 0.00 -0.33 0.65 7.12 -0.86 -2.04 115.31 120.18 2jxi h LEU 32 Ca -0.07 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.94 2jxi h LEU 32 Cb 1.51 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.63 2jxi h LEU 32 CO 0.16 0.12 0.21 0.40 -0.13 0.00 0.00 178.44 179.21 2jxi h ILE 33 N 0.00 1.08 0.00 4.05 2.04 -1.47 0.15 117.51 123.36 2jxi h ILE 33 Ca -0.00 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2jxi h ILE 33 Cb 0.31 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2jxi h ILE 33 CO 0.02 0.08 -0.74 0.07 0.00 0.00 0.00 178.15 177.58 2jxi h LYS 34 N 0.44 0.00 -0.04 2.37 2.10 -1.69 -3.33 116.57 116.42 2jxi h LYS 34 Ca 0.12 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.55 2jxi h LYS 34 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2jxi h LYS 34 CO -0.03 0.36 -0.88 1.96 -2.00 0.00 0.00 179.45 178.86 2jxi h GLN 35 N 0.00 0.48 0.11 0.07 1.08 -1.03 -2.90 115.11 112.92 2jxi h GLN 35 Ca -0.05 -0.47 -0.00 0.00 -1.45 0.00 0.00 58.65 56.68 2jxi h GLN 35 Cb 1.37 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 2jxi h GLN 35 CO 0.05 1.11 -0.06 0.00 -0.95 0.00 0.00 178.83 178.98 2jxi h ALA 36 N 0.74 -0.15 -0.68 3.87 0.00 -0.81 0.39 119.26 122.61 2jxi h ALA 36 Ca -0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2jxi h ALA 36 Cb 1.50 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2jxi h ALA 36 CO 0.16 -0.59 0.16 0.97 0.00 0.00 0.00 179.25 179.95 2jxi h ILE 37 N -0.15 1.26 -0.53 0.00 6.09 -1.69 -0.30 117.51 122.19 2jxi h ILE 37 Ca -0.01 -0.98 -0.09 0.00 -1.37 0.00 0.00 64.86 62.41 2jxi h ILE 37 Cb 0.12 0.58 -0.02 0.00 0.47 0.00 0.00 36.82 37.97 2jxi h ILE 37 CO 0.02 0.37 -0.02 0.15 -3.07 0.00 0.00 178.15 175.61 2jxi h PHE 38 N 1.03 1.04 0.00 2.19 3.57 -1.29 -2.65 116.94 120.83 2jxi h PHE 38 Ca 0.21 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 2jxi h PHE 38 Cb 0.38 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2jxi h PHE 38 CO 0.03 0.96 -0.38 -0.97 -2.23 0.00 0.00 178.31 175.72 2jxi h ASN 39 N 0.82 0.00 -0.32 0.41 -0.73 -0.01 -2.26 115.58 113.49 2jxi h ASN 39 Ca 0.15 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.33 2jxi h ASN 39 Cb 0.55 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.12 2jxi h ASN 39 CO 0.03 0.38 0.19 0.22 -0.37 0.00 0.00 177.43 177.89 2jxi h TYR 40 N 0.00 0.37 0.00 0.67 3.20 -0.69 0.15 116.97 120.66 2jxi h TYR 40 Ca -0.00 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2jxi h TYR 40 Cb 0.79 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2jxi h TYR 40 CO 0.00 0.22 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.23 2jxi h LEU 41 N 0.40 0.00 -0.63 2.82 3.38 -1.37 -2.90 115.31 117.01 2jxi h LEU 41 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 2jxi h LEU 41 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jxi h LEU 41 CO -0.05 0.44 -0.45 -0.08 0.09 0.00 0.00 178.44 178.39 2jxi h GLU 42 N 0.00 0.55 -0.12 1.13 4.81 -0.70 0.67 114.58 120.92 2jxi h GLU 42 Ca -0.00 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 2jxi h GLU 42 Cb 0.82 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2jxi h GLU 42 CO 0.06 0.89 -0.49 0.87 -0.73 0.00 0.00 179.01 179.61 2jxi h LYS 43 N 0.45 0.33 0.00 1.92 1.57 -0.54 -3.31 116.57 116.98 2jxi h LYS 43 Ca 0.03 -0.18 -0.33 0.00 -1.87 0.00 0.00 60.65 58.30 2jxi h LYS 43 Cb 0.96 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.22 2jxi h LYS 43 CO 0.09 0.75 -2.10 1.47 -0.57 0.00 0.00 179.45 179.08 2jxi n LEU 44 N -3.97 0.35 0.00 2.94 -0.00 -1.17 -5.12 117.00 110.03 2jxi n LEU 44 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 2jxi n LEU 44 Cb 0.54 0.36 0.00 0.00 -0.00 0.00 0.00 43.42 44.32 2jxi n LEU 44 CO 0.44 0.44 0.00 -0.62 -0.00 0.00 0.00 177.39 177.65