#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtt h ALA 2 N 0.00 1.11 -0.88 3.04 0.00 -2.05 -3.37 119.26 117.10 2jtt h ALA 2 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.04 2jtt h ALA 2 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2jtt h ALA 2 CO 0.00 0.04 0.57 0.66 0.00 0.00 0.00 179.25 180.53 2jtt h SER 3 N 0.00 0.57 0.07 0.00 4.64 -2.05 0.03 113.55 116.80 2jtt h SER 3 Ca -0.00 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2jtt h SER 3 Cb 0.24 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2jtt h SER 3 CO 0.00 0.27 -0.45 -0.65 -0.87 0.00 0.00 176.83 175.14 2jtt h PRO 4 N 0.59 0.46 0.21 4.77 0.11 -2.01 -2.68 132.00 133.45 2jtt h PRO 4 Ca 0.45 -0.25 -0.32 0.00 0.11 0.00 0.00 66.00 66.00 2jtt h PRO 4 Cb 0.86 0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.00 2jtt h PRO 4 CO -0.20 0.82 -1.43 1.25 -0.21 0.00 0.00 178.00 178.23 2jtt h LEU 5 N 0.37 0.70 -0.96 2.35 5.85 -1.65 -3.28 115.31 118.68 2jtt h LEU 5 Ca 0.03 -0.76 -0.00 0.00 0.84 0.00 0.00 57.88 57.98 2jtt h LEU 5 Cb 0.93 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 2jtt h LEU 5 CO 0.08 1.60 0.58 0.44 -0.34 0.00 0.00 178.44 180.80 2jtt h ASP 6 N 0.12 1.15 0.95 1.25 3.32 -1.05 0.11 116.42 122.27 2jtt h ASP 6 Ca -0.22 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2jtt h ASP 6 Cb 2.11 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 41.37 2jtt h ASP 6 CO 0.25 0.88 0.00 0.06 -1.72 0.00 0.00 179.24 178.70 2jtt h GLN 7 N 1.32 0.00 0.00 3.56 3.07 -1.61 -0.77 115.11 120.68 2jtt h GLN 7 Ca 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.05 2jtt h GLN 7 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.49 2jtt h GLN 7 CO -0.07 0.00 -0.20 0.00 0.09 0.00 0.00 178.83 178.65 2jtt h ALA 8 N 2.08 0.04 -0.07 0.06 0.00 -1.25 -3.22 119.26 116.89 2jtt h ALA 8 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2jtt h ALA 8 Cb 0.47 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jtt h ALA 8 CO 0.00 0.12 -0.21 -0.84 0.00 0.00 0.00 179.25 178.32 2jtt h ILE 9 N -1.00 1.19 0.00 0.00 3.07 -1.01 -1.14 117.51 118.61 2jtt h ILE 9 Ca -0.05 -0.88 -0.04 0.00 1.55 0.00 0.00 64.86 65.45 2jtt h ILE 9 Cb 0.79 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.71 2jtt h ILE 9 CO -0.03 0.26 -0.17 1.23 -1.05 0.00 0.00 178.15 178.39 2jtt h GLY 10 N 0.78 0.00 0.74 0.16 0.00 -1.32 -2.06 103.07 101.38 2jtt h GLY 10 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2jtt h GLY 10 CO 0.03 0.00 -0.10 -2.00 0.00 0.00 0.00 176.54 174.47 2jtt h LEU 11 N 0.00 -0.23 -0.78 3.11 7.12 -1.21 -1.06 115.31 122.25 2jtt h LEU 11 Ca -0.00 -0.19 0.08 0.00 0.13 0.00 0.00 57.88 57.91 2jtt h LEU 11 Cb 0.52 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.64 2jtt h LEU 11 CO 0.02 0.06 0.44 -0.07 -0.13 0.00 0.00 178.44 178.77 2jtt h LEU 12 N -0.54 0.64 -0.04 2.25 4.07 -1.36 -0.05 115.31 120.28 2jtt h LEU 12 Ca -0.03 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2jtt h LEU 12 Cb 0.40 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 2jtt h LEU 12 CO 0.05 0.38 0.02 0.40 -1.08 0.00 0.00 178.44 178.21 2jtt h ILE 13 N 0.77 1.09 -0.11 1.22 2.04 -1.33 -2.12 117.51 119.06 2jtt h ILE 13 Ca 0.37 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 2jtt h ILE 13 Cb 0.31 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2jtt h ILE 13 CO -0.23 0.07 -0.40 1.23 0.00 0.00 0.00 178.15 178.83 2jtt h GLY 14 N -0.04 0.27 0.82 5.37 0.00 -0.68 -0.78 103.07 108.02 2jtt h GLY 14 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2jtt h GLY 14 CO -0.00 0.23 -0.08 -2.22 0.00 0.00 0.00 176.54 174.47 2jtt h ILE 15 N 0.21 0.91 -0.26 2.60 2.04 -1.04 -2.67 117.51 119.31 2jtt h ILE 15 Ca 0.02 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2jtt h ILE 15 Cb 0.80 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2jtt h ILE 15 CO 0.06 0.09 0.05 0.15 0.00 0.00 0.00 178.15 178.50 2jtt h PHE 16 N -0.41 0.09 0.00 1.37 3.04 -1.12 -2.94 116.94 116.97 2jtt h PHE 16 Ca -0.02 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 2jtt h PHE 16 Cb 0.32 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 2jtt h PHE 16 CO -0.01 0.03 -0.34 0.45 -2.02 0.00 0.00 178.31 176.41 2jtt h HIS 17 N 0.15 0.00 -0.70 0.41 3.86 -1.21 -1.72 115.15 115.94 2jtt h HIS 17 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2jtt h HIS 17 Cb 0.12 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 2jtt h HIS 17 CO -0.16 0.34 0.45 -0.22 0.86 0.00 0.00 177.93 179.21 2jtt h LYS 18 N 0.00 0.92 0.19 2.45 3.64 -1.29 -3.26 116.57 119.23 2jtt h LYS 18 Ca -0.00 -0.06 -0.33 0.00 -1.27 0.00 0.00 60.65 58.99 2jtt h LYS 18 Cb 0.75 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2jtt h LYS 18 CO 0.04 0.62 -1.53 1.88 -2.27 0.00 0.00 179.45 178.20 2jtt h TYR 19 N 0.95 0.75 0.00 1.91 0.05 -1.52 -3.38 116.97 115.73 2jtt h TYR 19 Ca 0.25 -0.55 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2jtt h TYR 19 Cb -0.09 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2jtt h TYR 19 CO -0.02 1.52 0.00 -1.13 -1.05 0.00 0.00 178.16 177.48 2jtt n SER 20 N -3.61 0.10 0.00 3.88 3.41 -0.67 -2.28 113.62 114.46 2jtt n SER 20 Ca -0.18 0.54 0.15 0.00 -0.26 0.00 0.00 58.87 59.12 2jtt n SER 20 Cb 1.08 -0.55 0.74 0.00 -0.26 0.00 0.00 64.21 65.21 2jtt n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jtt n GLY 21 N -0.70 -1.29 0.14 5.00 0.00 -1.25 -2.73 105.19 104.37 2jtt n GLY 21 Ca 0.02 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 2jtt n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtt h LYS 22 N 0.00 0.40 0.00 1.61 3.64 -1.73 -3.45 116.57 117.03 2jtt h LYS 22 Ca 0.00 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2jtt h LYS 22 Cb 0.30 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2jtt h LYS 22 CO 0.00 1.05 0.00 -0.85 -2.27 0.00 0.00 179.45 177.38 2jtt n GLU 23 N -4.28 0.00 0.00 1.90 0.28 -1.26 -5.14 120.64 112.15 2jtt n GLU 23 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2jtt n GLU 23 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jtt n GLY 24 N 0.00 1.25 3.56 -1.84 0.00 -1.11 -4.93 105.19 102.13 2jtt n GLY 24 Ca 0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 2jtt n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jtt s ASP 25 N -1.00 0.64 0.64 1.61 2.15 -0.52 -4.88 116.67 115.31 2jtt s ASP 25 Ca 0.00 -1.36 0.24 0.00 0.43 0.00 0.00 52.55 51.86 2jtt s ASP 25 Cb 0.00 0.69 1.24 0.00 -0.30 0.00 0.00 42.92 44.56 2jtt s ASP 25 CO 0.00 -1.36 1.70 0.07 -0.17 0.00 0.00 175.17 175.41 2jtt h LYS 26 N 2.10 0.00 0.00 4.34 2.10 -2.02 -2.86 116.57 120.24 2jtt h LYS 26 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2jtt h LYS 26 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2jtt h LYS 26 CO 0.39 0.00 -0.33 -2.39 -2.00 0.00 0.00 179.45 175.12 2jtt n HIS 27 N -3.05 0.00 -3.60 0.07 1.44 -1.26 -5.03 115.22 103.79 2jtt n HIS 27 Ca 0.03 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.59 2jtt n HIS 27 Cb 0.66 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.69 2jtt n HIS 27 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 2jtt s THR 28 N 0.00 0.00 0.16 0.61 -1.32 -1.08 -0.97 115.64 113.05 2jtt s THR 28 Ca 0.00 -0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.55 2jtt s THR 28 Cb 0.00 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 2jtt s THR 28 CO 0.00 -0.00 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.56 2jtt s LEU 29 N -0.22 3.04 0.76 9.08 1.02 -0.51 -1.43 118.68 130.41 2jtt s LEU 29 Ca -0.04 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 53.48 2jtt s LEU 29 Cb -0.03 -1.74 0.05 0.00 0.02 0.00 0.00 46.19 44.49 2jtt s LEU 29 CO 0.04 0.12 1.09 -0.94 0.02 0.00 0.00 176.35 176.68 2jtt s SER 30 N -2.72 4.86 0.37 2.29 1.04 -1.26 -0.37 113.70 117.91 2jtt s SER 30 Ca 0.24 1.27 0.06 0.00 0.48 0.00 0.00 55.95 58.01 2jtt s SER 30 Cb -0.09 -2.04 0.75 0.00 0.10 0.00 0.00 66.02 64.73 2jtt s SER 30 CO 0.15 -1.73 1.97 0.07 0.98 0.00 0.00 173.24 174.69 2jtt h LYS 31 N -0.92 0.72 -0.03 4.02 2.10 -1.70 0.93 116.57 121.68 2jtt h LYS 31 Ca -0.46 -0.04 -0.24 0.00 -2.00 0.00 0.00 60.65 57.91 2jtt h LYS 31 Cb 1.26 -0.16 0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2jtt h LYS 31 CO 0.60 0.48 -0.93 -0.22 -2.00 0.00 0.00 179.45 177.38 2jtt h LYS 32 N 0.74 0.59 -0.51 0.07 3.64 -1.93 -1.26 116.57 117.91 2jtt h LYS 32 Ca 0.29 -0.59 -0.11 0.00 -1.27 0.00 0.00 60.65 58.97 2jtt h LYS 32 Cb 0.20 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2jtt h LYS 32 CO -0.09 1.20 -0.11 1.49 -2.27 0.00 0.00 179.45 179.67 2jtt h GLU 33 N 0.35 0.98 -0.31 1.90 4.81 -1.85 -2.17 114.58 118.31 2jtt h GLU 33 Ca -0.09 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 2jtt h GLU 33 Cb 1.57 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 2jtt h GLU 33 CO 0.18 1.05 0.16 1.25 -0.73 0.00 0.00 179.01 180.91 2jtt h LEU 34 N 0.85 0.24 -1.40 1.64 7.12 -0.86 -2.57 115.31 120.32 2jtt h LEU 34 Ca 0.13 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.33 2jtt h LEU 34 Cb 0.68 -0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.70 2jtt h LEU 34 CO 0.05 0.18 0.58 0.50 -0.13 0.00 0.00 178.44 179.62 2jtt h LYS 35 N 0.33 0.51 -0.11 1.25 3.64 -0.82 -0.57 116.57 120.79 2jtt h LYS 35 Ca 0.12 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2jtt h LYS 35 Cb 0.03 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2jtt h LYS 35 CO -0.08 0.34 0.04 1.49 -2.27 0.00 0.00 179.45 178.97 2jtt h GLU 36 N 0.52 0.17 -0.12 1.90 4.57 -1.00 0.32 114.58 120.94 2jtt h GLU 36 Ca 0.47 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.66 2jtt h GLU 36 Cb 0.99 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.49 2jtt h GLU 36 CO -0.20 0.30 -0.24 1.25 -1.18 0.00 0.00 179.01 178.94 2jtt h LEU 37 N 0.01 -0.75 -0.91 1.64 6.46 -0.98 -2.50 115.31 118.28 2jtt h LEU 37 Ca 0.04 0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.83 2jtt h LEU 37 Cb 0.20 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2jtt h LEU 37 CO -0.00 -0.29 -0.41 0.16 -0.62 0.00 0.00 178.44 177.27 2jtt h ILE 38 N -0.31 0.98 -0.14 4.05 3.07 -1.10 0.25 117.51 124.30 2jtt h ILE 38 Ca 0.10 -1.62 -0.05 0.00 1.55 0.00 0.00 64.86 64.84 2jtt h ILE 38 Cb 0.46 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.96 2jtt h ILE 38 CO -0.30 0.41 -0.14 1.56 -1.05 0.00 0.00 178.15 178.63 2jtt h GLN 39 N 0.00 0.21 0.08 0.16 1.08 -0.73 -0.24 115.11 115.67 2jtt h GLN 39 Ca -0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2jtt h GLN 39 Cb 0.93 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2jtt h GLN 39 CO 0.05 0.36 -0.04 -0.22 -0.95 0.00 0.00 178.83 178.03 2jtt h LYS 40 N 0.20 -0.11 0.05 1.46 1.63 -1.01 -3.35 116.57 115.45 2jtt h LYS 40 Ca 0.04 0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.62 2jtt h LYS 40 Cb 0.37 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2jtt h LYS 40 CO 0.02 -0.07 -1.03 0.93 -3.45 0.00 0.00 179.45 175.85 2jtt h GLU 41 N -0.78 0.19 -0.94 1.90 4.39 -0.99 -3.32 114.58 115.04 2jtt h GLU 41 Ca -0.01 -0.27 -0.57 0.00 0.34 0.00 0.00 59.36 58.85 2jtt h GLU 41 Cb 0.08 0.09 -0.42 0.00 -0.10 0.00 0.00 28.75 28.41 2jtt h GLU 41 CO 0.02 1.06 -0.71 1.28 -1.16 0.00 0.00 179.01 179.50 2jtt n LEU 42 N -3.56 5.02 -0.23 1.33 4.77 -0.11 -4.94 117.00 119.28 2jtt n LEU 42 Ca -0.05 -4.84 0.02 0.00 -0.03 0.00 0.00 56.01 51.12 2jtt n LEU 42 Cb 0.91 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 41.74 2jtt n LEU 42 CO 0.50 2.11 1.03 0.00 -1.33 0.00 0.00 177.39 179.69 2jtt h THR 43 N 2.22 0.78 -1.99 -5.08 1.03 -1.64 -3.44 112.91 104.77 2jtt h THR 43 Ca 0.37 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.60 2jtt h THR 43 Cb 1.36 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 2jtt h THR 43 CO 0.82 0.09 -0.36 -0.38 -0.01 0.00 0.00 175.52 175.68 2jtt n ILE 44 N -4.94 -5.02 -0.00 0.00 5.41 -1.26 -4.89 119.36 108.65 2jtt n ILE 44 Ca 0.11 1.19 -0.03 0.00 1.00 0.00 0.00 62.75 65.02 2jtt n ILE 44 Cb 0.31 -2.80 0.15 0.00 -0.71 0.00 0.00 39.64 36.58 2jtt n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jtt n GLY 45 N 0.40 2.68 3.43 7.39 0.00 -1.26 -4.93 105.19 112.90 2jtt n GLY 45 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2jtt n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jtt s SER 46 N -0.26 -0.54 0.39 1.61 0.15 -1.26 -5.17 113.70 108.61 2jtt s SER 46 Ca 0.27 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2jtt s SER 46 Cb 0.22 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 2jtt s SER 46 CO 0.07 -0.84 0.00 2.29 1.20 0.00 0.00 173.24 175.95 2jtt n LYS 47 N 0.03 0.00 -1.45 5.44 2.85 -1.26 -3.88 118.16 119.89 2jtt n LYS 47 Ca -0.18 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.68 2jtt n LYS 47 Cb 0.62 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.99 2jtt n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2jtt n LEU 48 N 0.00 6.64 -0.06 -5.58 7.99 -1.26 -4.81 117.00 119.93 2jtt n LEU 48 Ca 0.00 -3.87 0.12 0.00 -0.01 0.00 0.00 56.01 52.25 2jtt n LEU 48 Cb 0.00 -1.50 0.51 0.00 -0.11 0.00 0.00 43.42 42.33 2jtt n LEU 48 CO 0.00 1.02 1.18 0.06 -1.51 0.00 0.00 177.39 178.14 2jtt h GLN 49 N 6.14 0.36 0.00 3.23 -0.00 -1.92 -2.87 115.11 120.06 2jtt h GLN 49 Ca 0.61 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 59.23 2jtt h GLN 49 Cb 0.53 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 27.92 2jtt h GLN 49 CO 1.84 0.24 -0.02 0.22 -0.00 0.00 0.00 178.83 181.12 2jtt h ASP 50 N 0.37 0.00 0.37 0.06 3.58 -1.90 0.45 116.42 119.36 2jtt h ASP 50 Ca 0.25 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.65 2jtt h ASP 50 Cb 0.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2jtt h ASP 50 CO -0.06 0.02 -0.24 0.00 -2.88 0.00 0.00 179.24 176.08 2jtt h ALA 51 N 1.98 1.39 0.23 -0.78 0.00 -1.93 0.43 119.26 120.57 2jtt h ALA 51 Ca -0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 2jtt h ALA 51 Cb 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jtt h ALA 51 CO 0.00 0.30 -1.43 0.93 0.00 0.00 0.00 179.25 179.04 2jtt h GLU 52 N 0.00 0.48 -0.57 0.00 4.39 -1.13 -3.28 114.58 114.48 2jtt h GLU 52 Ca -0.00 -0.82 -0.00 0.00 0.34 0.00 0.00 59.36 58.87 2jtt h GLU 52 Cb 0.49 0.31 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2jtt h GLU 52 CO 0.03 1.39 0.34 0.82 -1.16 0.00 0.00 179.01 180.43 2jtt h ILE 53 N 0.13 1.17 0.00 3.13 1.08 -0.70 -0.85 117.51 121.47 2jtt h ILE 53 Ca -0.23 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 2jtt h ILE 53 Cb 2.13 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 2jtt h ILE 53 CO 0.26 0.18 -0.20 -0.37 -0.69 0.00 0.00 178.15 177.33 2jtt h VAL 54 N 0.77 0.80 0.18 1.67 -1.51 -1.06 0.13 116.25 117.23 2jtt h VAL 54 Ca 0.20 -0.79 -0.30 0.00 -1.23 0.00 0.00 66.70 64.58 2jtt h VAL 54 Cb -0.00 1.47 0.02 0.00 -2.13 0.00 0.00 31.29 30.65 2jtt h VAL 54 CO -0.04 0.20 -1.34 0.50 -1.23 0.00 0.00 177.57 175.66 2jtt h LYS 55 N 0.00 0.40 -0.79 5.19 1.63 -1.52 -1.13 116.57 120.35 2jtt h LYS 55 Ca -0.00 -0.67 -0.02 0.00 -0.85 0.00 0.00 60.65 59.10 2jtt h LYS 55 Cb 0.46 0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 32.30 2jtt h LYS 55 CO 0.03 1.32 0.40 1.25 -3.45 0.00 0.00 179.45 179.00 2jtt h LEU 56 N 0.11 1.01 -0.47 5.20 6.46 -0.85 -0.32 115.31 126.47 2jtt h LEU 56 Ca -0.19 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.46 2jtt h LEU 56 Cb 2.05 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 41.70 2jtt h LEU 56 CO 0.24 0.85 0.30 -0.03 -0.62 0.00 0.00 178.44 179.17 2jtt h MET 57 N 1.11 0.59 -0.48 1.25 4.05 -0.80 -1.61 114.93 119.03 2jtt h MET 57 Ca 0.27 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 2jtt h MET 57 Cb 0.08 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 2jtt h MET 57 CO -0.04 0.39 0.24 0.22 0.23 0.00 0.00 176.91 177.95 2jtt h ASP 58 N 0.60 0.62 0.30 1.39 3.58 -0.84 0.96 116.42 123.04 2jtt h ASP 58 Ca 0.18 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 2jtt h ASP 58 Cb -0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2jtt h ASP 58 CO -0.06 0.56 -0.26 0.44 -2.88 0.00 0.00 179.24 177.03 2jtt h ASP 59 N 0.63 0.00 0.09 2.28 3.32 -0.88 -0.57 116.42 121.29 2jtt h ASP 59 Ca 0.17 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2jtt h ASP 59 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2jtt h ASP 59 CO -0.02 0.26 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.65 2jtt h LEU 60 N 0.00 -0.10 -0.86 1.55 3.38 -1.09 -3.38 115.31 114.81 2jtt h LEU 60 Ca -0.00 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 2jtt h LEU 60 Cb 0.49 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2jtt h LEU 60 CO 0.03 0.43 -0.48 -0.78 0.09 0.00 0.00 178.44 177.74 2jtt h ASP 61 N -0.68 0.00 0.59 -0.43 3.58 -0.52 -3.23 116.42 115.73 2jtt h ASP 61 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jtt h ASP 61 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2jtt h ASP 61 CO 0.02 0.48 0.00 -1.14 -2.88 0.00 0.00 179.24 175.72 2jtt n ARG 62 N -3.65 0.03 0.26 0.28 3.00 -0.25 -1.46 116.66 114.87 2jtt n ARG 62 Ca -0.01 0.24 0.16 0.00 -0.00 0.00 0.00 57.85 58.25 2jtt n ARG 62 Cb 0.55 -1.55 0.61 0.00 0.00 0.00 0.00 32.46 32.07 2jtt n ARG 62 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2jtt h ASN 63 N 0.00 0.00 0.00 6.15 4.21 -1.78 -3.44 115.58 120.72 2jtt h ASN 63 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2jtt h ASN 63 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 2jtt h ASN 63 CO 0.00 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.43 2jtt n LYS 64 N -3.06 0.00 0.00 0.81 4.76 -0.54 -5.15 118.16 114.98 2jtt n LYS 64 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2jtt n LYS 64 Cb 0.34 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jtt n ASP 65 N 0.00 0.00 -0.52 4.39 2.03 -1.03 -5.01 116.55 116.40 2jtt n ASP 65 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jtt n ASP 65 Cb 0.00 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2jtt n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jtt n GLN 66 N -2.14 0.00 -3.64 -0.67 6.02 -1.26 -4.86 117.38 110.83 2jtt n GLN 66 Ca 0.00 -0.89 -0.10 0.00 -0.01 0.00 0.00 57.00 56.00 2jtt n GLN 66 Cb 0.00 -0.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.81 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2jtt s GLU 67 N 0.00 1.33 -0.17 -1.09 -1.05 -1.26 -1.90 118.70 114.55 2jtt s GLU 67 Ca 0.01 -0.73 -0.02 0.00 -0.15 0.00 0.00 54.97 54.07 2jtt s GLU 67 Cb 0.01 0.54 0.05 0.00 -0.44 0.00 0.00 34.13 34.29 2jtt s GLU 67 CO -0.00 -0.57 0.01 0.08 0.95 0.00 0.00 175.26 175.73 2jtt s VAL 68 N -3.83 0.63 0.79 1.83 1.01 0.50 -4.64 120.40 116.69 2jtt s VAL 68 Ca 0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2jtt s VAL 68 Cb -0.01 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 35.41 2jtt s VAL 68 CO -0.07 -0.09 1.16 0.54 0.00 0.00 0.00 175.10 176.65 2jtt s ASN 69 N 1.82 4.70 0.29 3.32 2.20 -1.26 -1.43 114.94 124.58 2jtt s ASN 69 Ca -0.00 0.88 -0.00 0.00 -0.94 0.00 0.00 52.86 52.79 2jtt s ASN 69 Cb -0.16 -1.45 0.43 0.00 -2.00 0.00 0.00 41.25 38.07 2jtt s ASN 69 CO -0.07 -1.79 1.84 0.15 -2.94 0.00 0.00 177.10 174.28 2jtt h PHE 70 N -0.98 0.82 -0.20 1.54 3.57 -1.45 -0.93 116.94 119.31 2jtt h PHE 70 Ca -0.46 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 60.93 2jtt h PHE 70 Cb 1.31 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2jtt h PHE 70 CO 0.36 0.69 -0.03 0.37 -2.23 0.00 0.00 178.31 177.47 2jtt h GLN 71 N 0.77 0.37 -0.36 1.11 5.75 -1.95 -2.92 115.11 117.88 2jtt h GLN 71 Ca 0.17 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 2jtt h GLN 71 Cb 0.28 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 2jtt h GLN 71 CO -0.00 0.60 -0.15 0.93 -2.65 0.00 0.00 178.83 177.56 2jtt h GLU 72 N 0.11 0.66 -0.09 1.69 4.39 -1.86 -0.23 114.58 119.25 2jtt h GLU 72 Ca 0.05 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.57 2jtt h GLU 72 Cb 0.45 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2jtt h GLU 72 CO 0.02 0.78 -0.14 -0.92 -1.16 0.00 0.00 179.01 177.58 2jtt h TYR 73 N 0.59 -0.35 -0.14 4.33 3.20 -1.21 -0.84 116.97 122.54 2jtt h TYR 73 Ca 0.10 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.76 2jtt h TYR 73 Cb 0.59 0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.04 2jtt h TYR 73 CO 0.03 -0.21 -0.78 0.82 -1.64 0.00 0.00 178.16 176.38 2jtt h ILE 74 N -0.19 1.28 -0.62 1.81 2.04 -1.28 -1.67 117.51 118.89 2jtt h ILE 74 Ca 0.08 -1.99 0.01 0.00 1.00 0.00 0.00 64.86 63.95 2jtt h ILE 74 Cb 0.30 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2jtt h ILE 74 CO -0.20 0.63 0.41 0.74 0.00 0.00 0.00 178.15 179.73 2jtt h THR 75 N 0.52 1.16 -0.11 -0.27 2.02 -1.05 -1.10 112.91 114.08 2jtt h THR 75 Ca -0.05 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.65 2jtt h THR 75 Cb 1.41 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2jtt h THR 75 CO 0.16 0.15 -0.69 0.15 0.37 0.00 0.00 175.52 175.66 2jtt h PHE 76 N 0.84 0.61 0.00 3.16 3.04 -1.03 -2.68 116.94 120.89 2jtt h PHE 76 Ca 0.23 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 2jtt h PHE 76 Cb -0.09 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.32 2jtt h PHE 76 CO 0.00 1.01 -0.09 -0.07 -2.02 0.00 0.00 178.31 177.14 2jtt h LEU 77 N 0.33 0.00 -1.03 0.59 3.38 -0.68 0.12 115.31 118.02 2jtt h LEU 77 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2jtt h LEU 77 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2jtt h LEU 77 CO 0.12 0.09 -0.03 1.23 0.09 0.00 0.00 178.44 179.95 2jtt h GLY 78 N 0.29 0.71 0.75 0.83 0.00 -0.99 -0.80 103.07 103.86 2jtt h GLY 78 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 2jtt h GLY 78 CO 0.01 0.43 -0.26 0.00 0.00 0.00 0.00 176.54 176.73 2jtt h ALA 79 N 1.35 0.20 -0.60 3.60 0.00 -0.98 -2.94 119.26 119.89 2jtt h ALA 79 Ca 0.12 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.71 2jtt h ALA 79 Cb 0.43 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2jtt h ALA 79 CO 0.02 0.19 0.28 1.25 0.00 0.00 0.00 179.25 180.99 2jtt h LEU 80 N -0.02 0.35 -1.72 0.00 5.85 -0.65 0.12 115.31 119.24 2jtt h LEU 80 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2jtt h LEU 80 Cb 0.86 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2jtt h LEU 80 CO 0.06 0.22 -0.18 0.00 -0.34 0.00 0.00 178.44 178.20 2jtt h ALA 81 N 1.37 1.49 0.06 1.25 0.00 -1.24 -2.76 119.26 119.42 2jtt h ALA 81 Ca 0.29 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 2jtt h ALA 81 Cb 0.28 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jtt h ALA 81 CO -0.24 0.22 -1.07 1.98 0.00 0.00 0.00 179.25 180.14 2jtt h MET 82 N 0.00 0.37 -0.49 0.00 1.85 -0.84 -3.18 114.93 112.65 2jtt h MET 82 Ca -0.00 -0.48 -0.01 0.00 -0.61 0.00 0.00 59.70 58.60 2jtt h MET 82 Cb 0.36 0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.52 2jtt h MET 82 CO 0.02 1.16 0.26 0.82 -0.40 0.00 0.00 176.91 178.77 2jtt h ILE 83 N 0.18 1.16 0.00 1.77 5.03 -0.95 -2.94 117.51 121.76 2jtt h ILE 83 Ca -0.11 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.23 2jtt h ILE 83 Cb 1.74 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 36.04 2jtt h ILE 83 CO 0.18 0.17 0.00 -1.22 -0.68 0.00 0.00 178.15 176.61 2jtt n TYR 84 N -4.40 0.00 -0.54 1.37 4.01 -1.06 -4.76 117.16 111.77 2jtt n TYR 84 Ca 0.04 -0.60 0.45 0.00 -0.16 0.00 0.00 57.90 57.63 2jtt n TYR 84 Cb 0.11 -0.39 0.79 0.00 -0.31 0.00 0.00 39.34 39.53 2jtt n TYR 84 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 2jtt h ASN 85 N 2.07 0.02 -0.45 7.72 7.08 -1.69 -1.45 115.58 128.87 2jtt h ASN 85 Ca 0.00 0.01 0.08 0.00 -3.08 0.00 0.00 56.30 53.31 2jtt h ASN 85 Cb 0.62 0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 36.84 2jtt h ASN 85 CO 0.00 -0.01 0.31 -0.33 -2.08 0.00 0.00 177.43 175.32 2jtt h GLU 86 N 0.01 0.27 0.00 4.14 3.07 -1.91 -0.94 114.58 119.22 2jtt h GLU 86 Ca 0.78 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.63 2jtt h GLU 86 Cb 3.10 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 30.95 2jtt h GLU 86 CO -0.03 0.18 0.00 0.00 -1.40 0.00 0.00 179.01 177.75 2jtt h ALA 87 N 1.77 1.00 0.00 3.43 0.00 -1.61 -2.59 119.26 121.26 2jtt h ALA 87 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jtt h ALA 87 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jtt h ALA 87 CO -0.04 0.00 -0.05 1.47 0.00 0.00 0.00 179.25 180.63 2jtt n LEU 88 N -2.79 1.93 0.14 0.00 -0.00 -0.42 -4.67 117.00 111.19 2jtt n LEU 88 Ca -0.01 -2.48 0.01 0.00 -0.00 0.00 0.00 56.01 53.52 2jtt n LEU 88 Cb 0.12 -0.26 0.17 0.00 -0.00 0.00 0.00 43.42 43.45 2jtt n LEU 88 CO 0.19 0.58 0.51 0.11 -0.00 0.00 0.00 177.39 178.77 2jtt h LYS 89 N 0.00 0.00 0.00 1.47 1.79 -0.98 -3.51 116.57 115.34 2jtt h LYS 89 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jtt h LYS 89 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2jtt h LYS 89 CO 0.00 0.58 0.00 0.41 -1.08 0.00 0.00 179.45 179.36