#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtt n ALA 2 N 0.00 2.08 -0.24 -5.12 0.00 -1.26 -4.28 120.51 111.69 2jtt n ALA 2 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2jtt n ALA 2 Cb 0.00 -1.00 0.36 0.00 0.00 0.00 0.00 19.45 18.81 2jtt n ALA 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jtt h SER 3 N 0.15 0.67 0.31 0.00 0.02 -2.06 0.33 113.55 112.97 2jtt h SER 3 Ca 0.00 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 2jtt h SER 3 Cb 0.15 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2jtt h SER 3 CO 0.00 0.39 -0.50 -0.65 -1.14 0.00 0.00 176.83 174.92 2jtt h PRO 4 N 0.74 0.22 -0.08 3.45 0.11 -2.02 -3.31 132.00 131.12 2jtt h PRO 4 Ca 0.39 -0.13 -0.17 0.00 0.11 0.00 0.00 66.00 66.20 2jtt h PRO 4 Cb 0.51 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.64 2jtt h PRO 4 CO -0.16 0.68 -0.62 1.25 -0.21 0.00 0.00 178.00 178.94 2jtt h LEU 5 N 0.18 0.68 -0.75 2.35 5.85 -1.46 -3.09 115.31 119.07 2jtt h LEU 5 Ca 0.01 -0.68 0.10 0.00 0.84 0.00 0.00 57.88 58.15 2jtt h LEU 5 Cb 0.95 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 2jtt h LEU 5 CO 0.08 1.25 0.38 -0.78 -0.34 0.00 0.00 178.44 179.03 2jtt h ASP 6 N 0.16 0.49 1.32 1.25 1.82 -1.11 0.68 116.42 121.02 2jtt h ASP 6 Ca -0.06 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2jtt h ASP 6 Cb 1.28 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2jtt h ASP 6 CO 0.13 0.26 0.00 0.06 -1.61 0.00 0.00 179.24 178.08 2jtt h GLN 7 N 0.62 0.00 0.00 0.28 3.07 -1.65 -0.73 115.11 116.71 2jtt h GLN 7 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.08 2jtt h GLN 7 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 2jtt h GLN 7 CO -0.29 0.00 -0.22 0.00 0.09 0.00 0.00 178.83 178.42 2jtt h ALA 8 N 2.27 0.04 -0.25 0.06 0.00 -1.02 -2.87 119.26 117.49 2jtt h ALA 8 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2jtt h ALA 8 Cb 0.66 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jtt h ALA 8 CO 0.00 0.12 0.07 -0.84 0.00 0.00 0.00 179.25 178.60 2jtt h ILE 9 N -1.00 1.12 0.00 0.00 3.07 -0.97 -1.11 117.51 118.62 2jtt h ILE 9 Ca -0.06 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2jtt h ILE 9 Cb 1.01 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 2jtt h ILE 9 CO -0.04 0.15 0.00 1.23 -1.05 0.00 0.00 178.15 178.45 2jtt h GLY 10 N 0.56 0.00 0.54 0.16 0.00 -1.27 -2.66 103.07 100.40 2jtt h GLY 10 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2jtt h GLY 10 CO -0.00 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.47 2jtt h LEU 11 N 0.00 0.12 -0.92 3.11 7.12 -0.96 -0.36 115.31 123.42 2jtt h LEU 11 Ca 0.00 -0.54 0.00 0.00 0.13 0.00 0.00 57.88 57.47 2jtt h LEU 11 Cb 0.51 -0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 2jtt h LEU 11 CO 0.00 0.64 0.59 -0.07 -0.13 0.00 0.00 178.44 179.47 2jtt h LEU 12 N -0.39 1.08 -0.33 2.25 4.07 -1.41 0.82 115.31 121.41 2jtt h LEU 12 Ca 0.00 -0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 2jtt h LEU 12 Cb 0.62 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2jtt h LEU 12 CO 0.01 0.80 -0.13 0.40 -1.08 0.00 0.00 178.44 178.45 2jtt h ILE 13 N 1.26 1.29 -0.37 1.22 2.04 -1.52 -1.97 117.51 119.46 2jtt h ILE 13 Ca 0.34 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2jtt h ILE 13 Cb -0.11 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2jtt h ILE 13 CO -0.07 0.39 -0.01 1.23 0.00 0.00 0.00 178.15 179.69 2jtt h GLY 14 N 0.43 0.63 0.60 5.37 0.00 -0.57 -0.43 103.07 109.10 2jtt h GLY 14 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2jtt h GLY 14 CO 0.04 0.36 -0.06 -2.22 0.00 0.00 0.00 176.54 174.66 2jtt h ILE 15 N 0.55 1.05 -0.34 2.60 2.04 -0.88 -3.38 117.51 119.16 2jtt h ILE 15 Ca 0.12 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 2jtt h ILE 15 Cb 0.37 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2jtt h ILE 15 CO 0.01 0.20 0.08 0.15 0.00 0.00 0.00 178.15 178.59 2jtt h PHE 16 N -0.57 0.57 0.00 1.37 3.04 -0.98 -3.29 116.94 117.07 2jtt h PHE 16 Ca -0.02 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 2jtt h PHE 16 Cb 0.45 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 2jtt h PHE 16 CO 0.05 0.58 -0.14 1.25 -2.02 0.00 0.00 178.31 178.04 2jtt h HIS 17 N 0.39 0.00 -0.59 0.41 2.76 -1.26 -2.07 115.15 114.80 2jtt h HIS 17 Ca 0.11 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 2jtt h HIS 17 Cb 0.30 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 2jtt h HIS 17 CO 0.02 0.14 0.21 0.87 -1.30 0.00 0.00 177.93 177.87 2jtt h LYS 18 N 0.00 0.38 0.04 5.26 1.57 -1.73 -0.56 116.57 121.53 2jtt h LYS 18 Ca -0.00 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 2jtt h LYS 18 Cb 0.58 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2jtt h LYS 18 CO 0.02 0.25 -1.26 1.88 -0.57 0.00 0.00 179.45 179.76 2jtt h TYR 19 N 0.39 0.15 0.17 -1.35 -1.99 -1.57 -3.03 116.97 109.74 2jtt h TYR 19 Ca 0.30 -0.11 -0.25 0.00 2.00 0.00 0.00 58.73 60.66 2jtt h TYR 19 Cb 0.36 -0.01 0.03 0.00 2.00 0.00 0.00 36.73 39.11 2jtt h TYR 19 CO -0.17 1.11 -1.08 0.66 -0.00 0.00 0.00 178.16 178.68 2jtt h SER 20 N 0.02 0.66 0.35 3.88 4.64 -1.48 -3.30 113.55 118.32 2jtt h SER 20 Ca -0.12 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 2jtt h SER 20 Cb 1.89 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2jtt h SER 20 CO 0.14 1.52 0.00 0.61 -0.87 0.00 0.00 176.83 178.22 2jtt n GLY 21 N 1.60 -1.04 0.30 -0.77 0.00 -0.22 -1.02 105.19 104.03 2jtt n GLY 21 Ca -0.15 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.58 0.06 1.61 3.64 -1.60 -3.17 116.57 117.68 2jtt h LYS 22 Ca 0.00 -0.06 -0.37 0.00 -1.27 0.00 0.00 60.65 58.95 2jtt h LYS 22 Cb 0.17 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 2jtt h LYS 22 CO 0.00 0.46 -2.15 0.39 -2.27 0.00 0.00 179.45 175.88 2jtt n GLU 23 N -4.40 0.68 -0.87 1.90 -0.58 -0.61 -5.03 120.64 111.72 2jtt n GLU 23 Ca 0.03 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2jtt n GLU 23 Cb 0.12 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jtt n GLY 24 N 1.96 0.89 0.21 0.62 0.00 -0.19 -4.94 105.19 103.74 2jtt n GLY 24 Ca -0.39 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2jtt n GLY 24 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jtt h ASP 25 N 0.00 0.88 -5.49 1.61 3.58 -1.92 -3.49 116.42 111.58 2jtt h ASP 25 Ca 0.00 -0.62 0.20 0.00 0.42 0.00 0.00 57.03 57.03 2jtt h ASP 25 Cb 0.00 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.75 2jtt h ASP 25 CO 0.00 1.42 0.65 -0.75 -2.88 0.00 0.00 179.24 177.67 2jtt s LYS 26 N -3.58 1.13 -0.74 0.28 2.20 -1.26 -5.06 119.74 112.71 2jtt s LYS 26 Ca -0.09 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.72 2jtt s LYS 26 Cb 0.08 0.32 -0.13 0.00 -1.51 0.00 0.00 37.83 36.58 2jtt s LYS 26 CO 0.90 -0.53 2.77 -2.39 -0.36 0.00 0.00 175.35 175.74 2jtt n HIS 27 N -0.74 1.10 -3.85 4.03 1.44 -1.26 -4.74 115.22 111.21 2jtt n HIS 27 Ca -0.02 -1.99 -0.10 0.00 -2.01 0.00 0.00 57.72 53.60 2jtt n HIS 27 Cb 0.59 -1.79 -0.08 0.00 0.12 0.00 0.00 29.99 28.82 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 2.15 0.11 0.09 0.61 -1.32 -1.26 -1.49 115.64 114.53 2jtt s THR 28 Ca 0.55 -0.88 0.09 0.00 -1.21 0.00 0.00 61.69 60.24 2jtt s THR 28 Cb 0.19 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.27 2jtt s THR 28 CO -0.03 -0.49 -0.23 -0.76 -2.21 0.00 0.00 174.62 170.91 2jtt s LEU 29 N -2.03 2.25 0.73 9.08 1.43 -0.50 -4.45 118.68 125.20 2jtt s LEU 29 Ca -0.06 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 2jtt s LEU 29 Cb -0.01 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.20 2jtt s LEU 29 CO -0.03 0.14 1.11 -0.94 0.23 0.00 0.00 176.35 176.85 2jtt s SER 30 N -1.66 5.18 0.25 2.29 1.04 -1.26 -0.22 113.70 119.32 2jtt s SER 30 Ca 0.09 1.10 -0.04 0.00 0.48 0.00 0.00 55.95 57.58 2jtt s SER 30 Cb -0.10 -1.84 0.39 0.00 0.10 0.00 0.00 66.02 64.56 2jtt s SER 30 CO 0.04 -1.51 1.84 0.07 0.98 0.00 0.00 173.24 174.66 2jtt h LYS 31 N -0.77 0.91 -0.22 4.02 2.10 -1.90 0.23 116.57 120.94 2jtt h LYS 31 Ca -0.45 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 57.99 2jtt h LYS 31 Cb 1.27 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 2jtt h LYS 31 CO 0.64 0.60 -0.51 -0.22 -2.00 0.00 0.00 179.45 177.96 2jtt h LYS 32 N 0.94 0.61 -0.23 0.07 3.64 -1.94 -2.27 116.57 117.39 2jtt h LYS 32 Ca 0.40 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2jtt h LYS 32 Cb 0.27 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2jtt h LYS 32 CO -0.21 0.97 -0.36 1.49 -2.27 0.00 0.00 179.45 179.08 2jtt h GLU 33 N 0.48 0.51 -0.48 1.90 4.57 -1.75 -0.67 114.58 119.14 2jtt h GLU 33 Ca 0.02 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2jtt h GLU 33 Cb 1.05 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 2jtt h GLU 33 CO 0.10 0.80 0.27 1.25 -1.18 0.00 0.00 179.01 180.25 2jtt h LEU 34 N 0.43 0.60 -1.21 1.64 7.12 -0.93 -0.95 115.31 122.01 2jtt h LEU 34 Ca 0.05 -0.08 0.01 0.00 0.13 0.00 0.00 57.88 57.98 2jtt h LEU 34 Cb 0.83 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.77 2jtt h LEU 34 CO 0.07 0.50 0.53 0.50 -0.13 0.00 0.00 178.44 179.91 2jtt h LYS 35 N 0.64 1.06 -0.60 1.25 3.64 -1.01 -0.35 116.57 121.20 2jtt h LYS 35 Ca 0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2jtt h LYS 35 Cb 0.03 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2jtt h LYS 35 CO -0.03 0.70 0.28 1.49 -2.27 0.00 0.00 179.45 179.62 2jtt h GLU 36 N 1.09 0.87 0.34 1.90 4.57 -0.69 -0.56 114.58 122.09 2jtt h GLU 36 Ca 0.29 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2jtt h GLU 36 Cb -0.12 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 2jtt h GLU 36 CO -0.06 0.71 -0.27 1.25 -1.18 0.00 0.00 179.01 179.46 2jtt h LEU 37 N 0.82 -0.70 -0.60 1.64 6.46 -0.75 -2.89 115.31 119.29 2jtt h LEU 37 Ca 0.20 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2jtt h LEU 37 Cb 0.13 0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2jtt h LEU 37 CO -0.02 -0.40 0.39 0.40 -0.62 0.00 0.00 178.44 178.18 2jtt h ILE 38 N -0.61 1.16 0.00 4.05 2.04 -0.84 0.22 117.51 123.53 2jtt h ILE 38 Ca -0.03 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2jtt h ILE 38 Cb 0.53 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2jtt h ILE 38 CO -0.01 0.16 -0.24 1.56 0.00 0.00 0.00 178.15 179.62 2jtt h GLN 39 N 0.82 0.00 0.00 2.37 1.08 -1.13 -0.76 115.11 117.49 2jtt h GLN 39 Ca 0.22 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.33 2jtt h GLN 39 Cb -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 2jtt h GLN 39 CO -0.05 0.24 -0.73 0.87 -0.95 0.00 0.00 178.83 178.21 2jtt h LYS 40 N 0.00 0.00 0.00 1.46 6.56 -1.26 -3.41 116.57 119.92 2jtt h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jtt h LYS 40 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 2jtt h LYS 40 CO 0.03 0.42 -0.67 0.93 -2.06 0.00 0.00 179.45 178.11 2jtt h GLU 41 N -1.00 0.00 -0.97 3.15 4.39 -0.63 -3.38 114.58 116.15 2jtt h GLU 41 Ca -0.13 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.17 2jtt h GLU 41 Cb 0.79 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.03 2jtt h GLU 41 CO -0.08 0.00 -1.05 -0.11 -1.16 0.00 0.00 179.01 176.61 2jtt n LEU 42 N -2.13 2.48 -4.65 1.33 0.00 -0.29 -5.00 117.00 108.74 2jtt n LEU 42 Ca 0.03 -3.98 -0.42 0.00 0.00 0.00 0.00 56.01 51.64 2jtt n LEU 42 Cb 0.44 0.18 -0.03 0.00 0.00 0.00 0.00 43.42 44.02 2jtt n LEU 42 CO 0.37 1.64 1.56 0.42 0.00 0.00 0.00 177.39 181.38 2jtt s THR 43 N -3.92 3.18 -2.41 1.96 -4.23 -1.22 -4.74 115.64 104.26 2jtt s THR 43 Ca 0.34 0.21 0.27 0.00 -1.18 0.00 0.00 61.69 61.33 2jtt s THR 43 Cb 0.41 -3.14 0.57 0.00 1.34 0.00 0.00 72.50 71.68 2jtt s THR 43 CO -0.03 -0.03 1.75 2.30 -0.54 0.00 0.00 174.62 178.08 2jtt n ILE 44 N 5.74 0.04 -3.25 2.99 -5.35 -1.26 -5.07 119.36 113.19 2jtt n ILE 44 Ca 0.20 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2jtt n ILE 44 Cb 0.42 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 2jtt n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jtt n GLY 45 N 1.15 -1.21 0.30 3.28 0.00 -1.26 -4.28 105.19 103.17 2jtt n GLY 45 Ca 0.19 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.89 2jtt n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jtt n SER 46 N 0.24 0.89 -4.66 1.61 3.41 -1.26 -4.86 113.62 109.00 2jtt n SER 46 Ca 0.00 -1.77 -0.42 0.00 -0.26 0.00 0.00 58.87 56.42 2jtt n SER 46 Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 2jtt n SER 46 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jtt s LYS 47 N -1.83 4.09 -0.51 4.33 1.02 -1.26 -4.95 119.74 120.63 2jtt s LYS 47 Ca 0.21 2.36 -0.28 0.00 0.02 0.00 0.00 55.97 58.28 2jtt s LYS 47 Cb 0.11 -4.09 0.01 0.00 -0.52 0.00 0.00 37.83 33.34 2jtt s LYS 47 CO 0.16 -0.98 1.41 -1.17 -0.92 0.00 0.00 175.35 173.85 2jtt s LEU 48 N 4.51 3.47 -0.00 3.17 2.96 -1.26 -4.79 118.68 126.73 2jtt s LEU 48 Ca 0.82 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 55.20 2jtt s LEU 48 Cb -0.37 -3.22 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2jtt s LEU 48 CO 0.36 -1.62 0.75 0.00 -1.32 0.00 0.00 176.35 174.52 2jtt n GLN 49 N 8.46 1.29 -0.33 1.98 1.13 -1.26 -4.95 117.38 123.70 2jtt n GLN 49 Ca 0.14 -1.01 0.11 0.00 -1.94 0.00 0.00 57.00 54.29 2jtt n GLN 49 Cb 0.49 -0.74 0.28 0.00 0.11 0.00 0.00 30.24 30.38 2jtt n GLN 49 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2jtt h ASP 50 N 0.00 0.64 0.32 1.08 3.58 -1.98 0.22 116.42 120.28 2jtt h ASP 50 Ca 0.00 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 2jtt h ASP 50 Cb 0.81 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2jtt h ASP 50 CO 0.00 0.22 -0.25 0.00 -2.88 0.00 0.00 179.24 176.33 2jtt h ALA 51 N 1.62 1.47 0.09 -0.78 0.00 -2.00 -0.25 119.26 119.41 2jtt h ALA 51 Ca 0.53 -0.23 -0.27 0.00 0.00 0.00 0.00 54.91 54.94 2jtt h ALA 51 Cb 0.83 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2jtt h ALA 51 CO -0.39 0.32 -1.28 0.93 0.00 0.00 0.00 179.25 178.82 2jtt h GLU 52 N 0.00 0.19 -0.60 0.00 4.39 -1.09 -3.19 114.58 114.28 2jtt h GLU 52 Ca -0.00 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 2jtt h GLU 52 Cb 0.48 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2jtt h GLU 52 CO 0.03 1.11 0.16 0.82 -1.16 0.00 0.00 179.01 179.98 2jtt h ILE 53 N 0.05 1.25 0.00 3.13 1.08 -0.28 0.69 117.51 123.43 2jtt h ILE 53 Ca -0.14 -0.88 -0.04 0.00 -0.39 0.00 0.00 64.86 63.41 2jtt h ILE 53 Cb 1.94 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.36 2jtt h ILE 53 CO 0.17 0.33 -0.19 -0.37 -0.69 0.00 0.00 178.15 177.40 2jtt h VAL 54 N 0.87 0.65 0.04 1.67 -1.51 -1.19 0.14 116.25 116.92 2jtt h VAL 54 Ca 0.19 -0.86 -0.25 0.00 -1.23 0.00 0.00 66.70 64.55 2jtt h VAL 54 Cb 0.33 1.55 0.01 0.00 -2.13 0.00 0.00 31.29 31.05 2jtt h VAL 54 CO -0.00 0.19 -1.04 0.50 -1.23 0.00 0.00 177.57 175.99 2jtt h LYS 55 N 0.00 0.44 -0.60 5.19 1.63 -1.42 -1.96 116.57 119.84 2jtt h LYS 55 Ca -0.00 -0.53 -0.07 0.00 -0.85 0.00 0.00 60.65 59.20 2jtt h LYS 55 Cb 0.54 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2jtt h LYS 55 CO 0.03 1.18 0.11 1.25 -3.45 0.00 0.00 179.45 178.57 2jtt h LEU 56 N 0.22 0.95 -0.67 5.20 6.46 -0.58 -1.32 115.31 125.57 2jtt h LEU 56 Ca -0.11 -0.25 0.03 0.00 -0.12 0.00 0.00 57.88 57.43 2jtt h LEU 56 Cb 1.70 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 41.34 2jtt h LEU 56 CO 0.18 0.96 0.42 -0.03 -0.62 0.00 0.00 178.44 179.35 2jtt h MET 57 N 0.90 0.79 -0.37 1.25 4.05 -0.77 -1.17 114.93 119.61 2jtt h MET 57 Ca 0.18 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 2jtt h MET 57 Cb 0.41 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 2jtt h MET 57 CO 0.01 0.52 -0.02 0.22 0.23 0.00 0.00 176.91 177.87 2jtt h ASP 58 N 0.82 0.55 1.02 1.39 3.58 -1.13 0.84 116.42 123.49 2jtt h ASP 58 Ca 0.27 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 2jtt h ASP 58 Cb 0.02 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2jtt h ASP 58 CO -0.11 0.64 -0.26 -0.78 -2.88 0.00 0.00 179.24 175.85 2jtt h ASP 59 N 0.55 0.00 0.08 2.28 3.58 -0.75 -2.19 116.42 119.97 2jtt h ASP 59 Ca 0.11 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 2jtt h ASP 59 Cb 0.39 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.45 2jtt h ASP 59 CO 0.02 0.26 -0.51 -0.07 -2.88 0.00 0.00 179.24 176.05 2jtt h LEU 60 N 0.00 0.26 -1.76 2.28 3.38 -0.98 -3.37 115.31 115.12 2jtt h LEU 60 Ca -0.00 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2jtt h LEU 60 Cb 0.84 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2jtt h LEU 60 CO 0.03 1.24 0.00 -0.78 0.09 0.00 0.00 178.44 179.03 2jtt h ASP 61 N -0.65 0.00 0.00 -0.43 3.58 -0.78 -3.05 116.42 115.10 2jtt h ASP 61 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2jtt h ASP 61 Cb 1.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2jtt h ASP 61 CO 0.08 0.00 0.14 -2.11 -2.88 0.00 0.00 179.24 174.46 2jtt n ARG 62 N -2.66 0.11 -0.25 0.28 1.85 -0.83 -0.71 116.66 114.45 2jtt n ARG 62 Ca -0.01 0.60 0.19 0.00 -1.00 0.00 0.00 57.85 57.63 2jtt n ARG 62 Cb 0.14 -2.01 0.50 0.00 -1.05 0.00 0.00 32.46 30.03 2jtt n ARG 62 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 2jtt h ASN 63 N 0.00 0.44 0.00 2.89 -1.24 -1.74 -3.39 115.58 112.54 2jtt h ASN 63 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2jtt h ASN 63 Cb 0.27 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.29 2jtt h ASN 63 CO 0.00 0.17 0.00 1.17 -1.29 0.00 0.00 177.43 177.48 2jtt n LYS 64 N -4.53 2.73 -1.02 6.67 4.81 -0.63 -5.01 118.16 121.19 2jtt n LYS 64 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 2jtt n LYS 64 Cb 0.69 -0.31 -0.00 0.00 0.02 0.00 0.00 35.03 35.42 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jtt n ASP 65 N -0.14 -3.08 0.00 3.14 2.03 0.11 -4.77 116.55 113.84 2jtt n ASP 65 Ca 0.00 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2jtt n ASP 65 Cb 0.00 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2jtt n ASP 65 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2jtt n GLN 66 N -2.97 0.00 -3.97 -0.67 -0.06 -1.26 -5.05 117.38 103.40 2jtt n GLN 66 Ca -0.01 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 2jtt n GLN 66 Cb 0.02 -0.05 -0.10 0.00 -4.06 0.00 0.00 30.24 26.06 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2jtt s GLU 67 N -1.00 0.54 -0.17 3.69 2.02 -1.26 -3.01 118.70 119.51 2jtt s GLU 67 Ca 0.00 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2jtt s GLU 67 Cb 0.00 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.45 2jtt s GLU 67 CO 0.00 -0.12 -0.20 0.54 0.02 0.00 0.00 175.26 175.49 2jtt s VAL 68 N -2.69 2.05 0.52 2.63 0.11 0.69 -3.09 120.40 120.63 2jtt s VAL 68 Ca -0.04 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 57.90 2jtt s VAL 68 Cb -0.01 -1.84 -0.08 0.00 -1.53 0.00 0.00 36.38 32.92 2jtt s VAL 68 CO -0.05 0.54 0.99 0.21 -3.33 0.00 0.00 175.10 173.46 2jtt s ASN 69 N 1.16 6.58 0.30 3.54 3.84 -1.26 -1.40 114.94 127.70 2jtt s ASN 69 Ca 0.02 1.57 0.06 0.00 0.21 0.00 0.00 52.86 54.72 2jtt s ASN 69 Cb -0.14 -2.51 0.80 0.00 -0.55 0.00 0.00 41.25 38.86 2jtt s ASN 69 CO -0.10 -0.62 1.70 0.15 -2.79 0.00 0.00 177.10 175.44 2jtt h PHE 70 N 0.85 0.74 -0.45 0.43 3.57 -1.65 -1.10 116.94 119.34 2jtt h PHE 70 Ca -0.47 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.08 2jtt h PHE 70 Cb 1.19 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2jtt h PHE 70 CO 0.64 -0.05 0.29 0.37 -2.23 0.00 0.00 178.31 177.32 2jtt h GLN 71 N 0.42 0.56 0.00 1.11 -0.00 -1.94 -1.15 115.11 114.11 2jtt h GLN 71 Ca 0.60 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 59.08 2jtt h GLN 71 Cb 1.17 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.51 2jtt h GLN 71 CO -0.54 0.37 -0.66 0.93 0.00 0.00 0.00 178.83 178.93 2jtt h GLU 72 N 0.58 0.00 -0.30 1.69 4.39 -1.72 -1.71 114.58 117.51 2jtt h GLU 72 Ca 0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2jtt h GLU 72 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jtt h GLU 72 CO -0.05 0.66 0.15 -0.92 -1.16 0.00 0.00 179.01 177.69 2jtt h TYR 73 N 0.00 0.43 -0.49 4.33 3.20 -0.89 0.05 116.97 123.61 2jtt h TYR 73 Ca -0.01 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 2jtt h TYR 73 Cb 1.19 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2jtt h TYR 73 CO 0.00 0.39 0.12 0.82 -1.64 0.00 0.00 178.16 177.84 2jtt h ILE 74 N 0.35 1.24 -0.52 1.81 1.08 -1.16 -2.16 117.51 118.15 2jtt h ILE 74 Ca 0.10 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2jtt h ILE 74 Cb 0.12 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2jtt h ILE 74 CO -0.01 0.30 0.34 0.74 -0.69 0.00 0.00 178.15 178.83 2jtt h THR 75 N 0.67 1.14 -0.56 -0.27 2.02 -1.18 -0.70 112.91 114.02 2jtt h THR 75 Ca 0.15 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2jtt h THR 75 Cb 0.34 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2jtt h THR 75 CO 0.00 0.13 0.25 0.15 0.37 0.00 0.00 175.52 176.42 2jtt h PHE 76 N 0.70 0.83 0.00 3.16 3.04 -0.96 -1.84 116.94 121.87 2jtt h PHE 76 Ca 0.19 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 2jtt h PHE 76 Cb -0.07 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.18 2jtt h PHE 76 CO -0.04 0.66 -0.15 -0.07 -2.02 0.00 0.00 178.31 176.69 2jtt h LEU 77 N 0.76 0.00 -0.38 0.59 3.38 -0.95 0.11 115.31 118.81 2jtt h LEU 77 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2jtt h LEU 77 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jtt h LEU 77 CO -0.02 0.15 -0.16 1.23 0.09 0.00 0.00 178.44 179.73 2jtt h GLY 78 N 0.91 0.84 1.68 0.83 0.00 -0.61 -0.01 103.07 106.72 2jtt h GLY 78 Ca -0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.49 2jtt h GLY 78 CO 0.02 0.68 -0.27 0.00 0.00 0.00 0.00 176.54 176.97 2jtt h ALA 79 N 0.81 1.18 -0.36 3.60 0.00 -0.69 -2.30 119.26 121.50 2jtt h ALA 79 Ca 0.09 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 2jtt h ALA 79 Cb 0.71 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jtt h ALA 79 CO 0.05 0.53 -0.39 1.25 0.00 0.00 0.00 179.25 180.69 2jtt h LEU 80 N 0.33 0.96 -1.16 0.00 5.85 -0.69 0.36 115.31 120.96 2jtt h LEU 80 Ca 0.05 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2jtt h LEU 80 Cb 0.65 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2jtt h LEU 80 CO 0.05 1.24 0.57 0.00 -0.34 0.00 0.00 178.44 179.96 2jtt h ALA 81 N 0.75 1.41 -0.28 1.25 0.00 -0.92 -1.67 119.26 119.80 2jtt h ALA 81 Ca 0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2jtt h ALA 81 Cb 0.98 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jtt h ALA 81 CO 0.09 0.53 -0.40 1.98 0.00 0.00 0.00 179.25 181.46 2jtt h MET 82 N 1.14 0.68 -0.05 0.00 1.85 -1.24 -3.18 114.93 114.12 2jtt h MET 82 Ca 0.33 -0.35 -0.04 0.00 -0.61 0.00 0.00 59.70 59.03 2jtt h MET 82 Cb -0.08 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 2jtt h MET 82 CO -0.08 0.96 -0.15 0.97 -0.40 0.00 0.00 176.91 178.20 2jtt h ILE 83 N 0.56 1.14 0.00 1.77 6.09 -0.12 -2.90 117.51 124.04 2jtt h ILE 83 Ca 0.05 -0.64 -0.15 0.00 -1.37 0.00 0.00 64.86 62.75 2jtt h ILE 83 Cb 0.93 1.27 -0.05 0.00 0.47 0.00 0.00 36.82 39.44 2jtt h ILE 83 CO 0.08 0.19 -0.02 -1.22 -3.07 0.00 0.00 178.15 174.12 2jtt n TYR 84 N -4.32 0.07 -0.22 2.19 4.01 -0.70 -4.75 117.16 113.43 2jtt n TYR 84 Ca -0.02 -1.13 0.31 0.00 -0.16 0.00 0.00 57.90 56.90 2jtt n TYR 84 Cb 0.24 -1.29 0.73 0.00 -0.31 0.00 0.00 39.34 38.71 2jtt n TYR 84 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 2jtt h ASN 85 N 3.92 0.00 -0.90 7.72 -0.73 -1.72 -0.24 115.58 123.62 2jtt h ASN 85 Ca 0.16 0.00 0.16 0.00 1.87 0.00 0.00 56.30 58.49 2jtt h ASN 85 Cb 1.06 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.58 2jtt h ASN 85 CO 0.35 0.00 0.58 -0.33 -0.37 0.00 0.00 177.43 177.67 2jtt h GLU 86 N 0.00 0.61 0.00 6.67 4.39 -1.90 -1.46 114.58 122.89 2jtt h GLU 86 Ca 0.47 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 2jtt h GLU 86 Cb 1.96 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2jtt h GLU 86 CO -0.00 0.40 -0.03 0.00 -1.16 0.00 0.00 179.01 178.22 2jtt h ALA 87 N 1.61 1.02 -0.15 3.43 0.00 -1.39 0.32 119.26 124.11 2jtt h ALA 87 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2jtt h ALA 87 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jtt h ALA 87 CO -0.22 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.35 2jtt n LEU 88 N -3.16 2.73 -0.03 0.00 7.99 -0.58 -4.54 117.00 119.41 2jtt n LEU 88 Ca -0.00 -1.02 -0.06 0.00 -0.01 0.00 0.00 56.01 54.92 2jtt n LEU 88 Cb 0.28 -0.08 -0.02 0.00 -0.11 0.00 0.00 43.42 43.49 2jtt n LEU 88 CO 0.27 0.51 -0.71 1.17 -1.51 0.00 0.00 177.39 177.12 2jtt n LYS 89 N 1.08 0.14 0.00 3.23 4.81 -0.70 -5.12 118.16 121.60 2jtt n LYS 89 Ca 0.17 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2jtt n LYS 89 Cb 0.53 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.76 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98