#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 0.14 -0.31 3.04 0.00 -2.06 -3.39 119.26 116.68 2jtt h ALA 2 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 54.91 53.95 2jtt h ALA 2 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jtt h ALA 2 CO 0.00 0.73 0.22 0.66 0.00 0.00 0.00 179.25 180.85 2jtt h SER 3 N -0.38 0.15 -0.62 0.00 4.64 -2.05 -1.49 113.55 113.81 2jtt h SER 3 Ca -0.27 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2jtt h SER 3 Cb 1.69 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.71 2jtt h SER 3 CO 0.05 0.10 0.34 -0.65 -0.87 0.00 0.00 176.83 175.80 2jtt h PRO 4 N 0.18 0.86 -0.07 4.77 0.11 -2.00 -1.66 132.00 134.19 2jtt h PRO 4 Ca 0.14 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 2jtt h PRO 4 Cb 0.33 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.28 2jtt h PRO 4 CO -0.02 0.65 -0.40 1.25 -0.21 0.00 0.00 178.00 179.28 2jtt h LEU 5 N 0.84 0.46 -1.38 2.35 5.85 -1.62 -2.83 115.31 118.98 2jtt h LEU 5 Ca 0.22 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2jtt h LEU 5 Cb 0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2jtt h LEU 5 CO -0.03 1.06 -0.00 0.44 -0.34 0.00 0.00 178.44 179.56 2jtt h ASP 6 N -0.09 0.37 0.39 1.25 3.32 -1.29 -0.14 116.42 120.22 2jtt h ASP 6 Ca -0.03 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.75 2jtt h ASP 6 Cb 1.06 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2jtt h ASP 6 CO 0.08 0.44 -0.89 0.06 -1.72 0.00 0.00 179.24 177.21 2jtt h GLN 7 N 0.39 0.35 -0.21 3.56 3.07 -1.41 -2.55 115.11 118.32 2jtt h GLN 7 Ca 0.09 -0.37 -0.03 0.00 0.09 0.00 0.00 58.65 58.44 2jtt h GLN 7 Cb 0.27 0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 2jtt h GLN 7 CO 0.01 1.04 0.03 0.00 0.09 0.00 0.00 178.83 180.00 2jtt h ALA 8 N 0.83 0.28 0.00 0.06 0.00 -1.03 -0.39 119.26 119.01 2jtt h ALA 8 Ca -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2jtt h ALA 8 Cb 1.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2jtt h ALA 8 CO 0.15 -0.04 -0.19 -0.84 0.00 0.00 0.00 179.25 178.33 2jtt h ILE 9 N 0.15 0.73 -0.22 0.00 3.07 -1.18 -2.49 117.51 117.56 2jtt h ILE 9 Ca 0.06 -0.79 -0.10 0.00 1.55 0.00 0.00 64.86 65.58 2jtt h ILE 9 Cb 0.33 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.36 2jtt h ILE 9 CO 0.01 0.19 -0.30 1.23 -1.05 0.00 0.00 178.15 178.22 2jtt h GLY 10 N 1.11 0.49 0.72 0.16 0.00 -0.99 -2.91 103.07 101.65 2jtt h GLY 10 Ca -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.93 2jtt h GLY 10 CO 0.03 0.39 -0.07 -2.00 0.00 0.00 0.00 176.54 174.88 2jtt h LEU 11 N 0.39 -0.22 -1.05 3.11 7.12 -0.61 -1.51 115.31 122.54 2jtt h LEU 11 Ca 0.05 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.12 2jtt h LEU 11 Cb 0.73 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.92 2jtt h LEU 11 CO 0.06 -0.10 0.64 -0.07 -0.13 0.00 0.00 178.44 178.84 2jtt h LEU 12 N -0.09 1.11 -0.41 2.25 4.07 -1.53 -0.60 115.31 120.11 2jtt h LEU 12 Ca 0.06 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 2jtt h LEU 12 Cb 0.17 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2jtt h LEU 12 CO -0.13 0.80 0.09 0.40 -1.08 0.00 0.00 178.44 178.52 2jtt h ILE 13 N 1.31 1.24 0.00 1.22 2.04 -1.27 -1.14 117.51 120.91 2jtt h ILE 13 Ca 0.35 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 2jtt h ILE 13 Cb -0.15 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2jtt h ILE 13 CO -0.08 0.29 -0.40 1.23 0.00 0.00 0.00 178.15 179.19 2jtt h GLY 14 N 0.53 0.00 0.54 5.37 0.00 -0.91 -0.21 103.07 108.39 2jtt h GLY 14 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2jtt h GLY 14 CO 0.00 0.00 -0.18 -2.22 0.00 0.00 0.00 176.54 174.14 2jtt h ILE 15 N 0.00 1.47 0.44 2.60 2.04 -1.06 -3.34 117.51 119.66 2jtt h ILE 15 Ca -0.00 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 2jtt h ILE 15 Cb 0.93 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2jtt h ILE 15 CO 0.05 0.46 -0.21 0.15 0.00 0.00 0.00 178.15 178.60 2jtt h PHE 16 N -0.37 -0.54 0.00 1.37 3.57 -1.05 -3.35 116.94 116.58 2jtt h PHE 16 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2jtt h PHE 16 Cb 0.84 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2jtt h PHE 16 CO 0.14 -0.29 -0.03 1.25 -2.23 0.00 0.00 178.31 177.16 2jtt h HIS 17 N -1.11 0.00 -0.60 0.41 2.76 -1.25 -0.84 115.15 114.51 2jtt h HIS 17 Ca -0.06 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.19 2jtt h HIS 17 Cb 0.50 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.40 2jtt h HIS 17 CO 0.01 0.03 0.26 -0.22 -1.30 0.00 0.00 177.93 176.71 2jtt h LYS 18 N 0.00 0.45 0.21 5.26 3.64 -1.69 0.49 116.57 124.94 2jtt h LYS 18 Ca -0.00 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.01 2jtt h LYS 18 Cb 0.43 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2jtt h LYS 18 CO 0.00 0.30 -1.61 1.88 -2.27 0.00 0.00 179.45 177.75 2jtt h TYR 19 N 0.47 0.82 0.19 1.91 -1.99 -1.44 -3.26 116.97 113.67 2jtt h TYR 19 Ca 0.29 -0.60 -0.01 0.00 2.00 0.00 0.00 58.73 60.41 2jtt h TYR 19 Cb 0.32 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.02 2jtt h TYR 19 CO -0.14 1.62 -0.09 0.77 -0.00 0.00 0.00 178.16 180.32 2jtt h SER 20 N 0.10 -0.22 -1.00 3.88 0.02 -1.12 -3.15 113.55 112.06 2jtt h SER 20 Ca -0.30 -0.26 -0.50 0.00 -0.84 0.00 0.00 61.79 59.89 2jtt h SER 20 Cb 2.11 0.06 -0.19 0.00 0.14 0.00 0.00 62.40 64.52 2jtt h SER 20 CO 0.22 0.17 0.50 0.61 -1.14 0.00 0.00 176.83 177.19 2jtt n GLY 21 N -0.14 4.52 0.35 -3.77 0.00 0.15 -4.41 105.19 101.89 2jtt n GLY 21 Ca -0.09 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.26 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 2.53 0.42 -0.52 1.61 3.64 -1.59 -0.72 116.57 121.94 2jtt h LYS 22 Ca 0.40 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2jtt h LYS 22 Cb 0.71 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2jtt h LYS 22 CO 0.96 0.28 0.00 0.39 -2.27 0.00 0.00 179.45 178.81 2jtt n GLU 23 N -4.47 3.45 -0.66 1.90 1.02 -1.26 -4.91 120.64 115.71 2jtt n GLU 23 Ca 0.09 -2.73 0.00 0.00 -0.02 0.00 0.00 57.16 54.50 2jtt n GLU 23 Cb 0.35 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jtt n GLY 24 N 0.71 0.65 0.00 0.62 0.00 -0.28 -5.07 105.19 101.82 2jtt n GLY 24 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jtt n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jtt n ASP 25 N 0.30 0.00 -4.69 1.61 5.75 -1.25 -4.96 116.55 113.30 2jtt n ASP 25 Ca 0.00 -0.37 -0.37 0.00 -0.01 0.00 0.00 54.79 54.03 2jtt n ASP 25 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 2jtt n ASP 25 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2jtt n LYS 26 N -0.37 1.05 -0.75 0.11 4.81 -1.26 -3.92 118.16 117.82 2jtt n LYS 26 Ca 0.00 0.41 -0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2jtt n LYS 26 Cb 0.00 -2.42 -0.10 0.00 0.02 0.00 0.00 35.03 32.52 2jtt n LYS 26 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2jtt n HIS 27 N -1.87 0.29 -3.92 5.64 1.44 -1.26 -3.53 115.22 112.01 2jtt n HIS 27 Ca 0.15 -1.29 -0.10 0.00 -2.01 0.00 0.00 57.72 54.47 2jtt n HIS 27 Cb 0.48 -1.38 -0.10 0.00 0.12 0.00 0.00 29.99 29.11 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 1.81 0.10 -0.11 0.61 -1.32 -1.26 -3.17 115.64 112.30 2jtt s THR 28 Ca 0.48 -0.86 0.01 0.00 -1.21 0.00 0.00 61.69 60.11 2jtt s THR 28 Cb 0.21 -0.47 -0.02 0.00 -1.51 0.00 0.00 72.50 70.72 2jtt s THR 28 CO -0.01 -0.47 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.04 2jtt s LEU 29 N -1.56 2.71 0.72 9.08 1.43 -0.34 -4.50 118.68 126.22 2jtt s LEU 29 Ca -0.13 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2jtt s LEU 29 Cb -0.07 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2jtt s LEU 29 CO -0.01 0.22 1.08 -0.94 0.23 0.00 0.00 176.35 176.93 2jtt s SER 30 N 0.05 5.28 0.55 2.29 1.04 -1.26 -0.21 113.70 121.43 2jtt s SER 30 Ca -0.05 1.29 0.26 0.00 0.48 0.00 0.00 55.95 57.93 2jtt s SER 30 Cb -0.14 -2.12 1.45 0.00 0.10 0.00 0.00 66.02 65.31 2jtt s SER 30 CO 0.04 -1.46 2.00 0.07 0.98 0.00 0.00 173.24 174.87 2jtt h LYS 31 N -0.74 0.00 0.19 4.02 2.10 -1.67 0.98 116.57 121.45 2jtt h LYS 31 Ca -0.45 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 57.93 2jtt h LYS 31 Cb 1.24 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.60 2jtt h LYS 31 CO 0.61 0.00 -1.18 -0.22 -2.00 0.00 0.00 179.45 176.66 2jtt h LYS 32 N 0.00 0.40 -0.40 0.07 1.63 -1.92 -3.02 116.57 113.33 2jtt h LYS 32 Ca 0.21 -0.68 -0.03 0.00 -0.85 0.00 0.00 60.65 59.30 2jtt h LYS 32 Cb 0.92 0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 2jtt h LYS 32 CO -0.00 1.32 0.13 1.49 -3.45 0.00 0.00 179.45 178.94 2jtt h GLU 33 N -0.14 0.58 -0.17 1.90 4.57 -1.65 -0.51 114.58 119.17 2jtt h GLU 33 Ca -0.21 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2jtt h GLU 33 Cb 1.89 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.36 2jtt h GLU 33 CO 0.19 0.51 0.08 1.25 -1.18 0.00 0.00 179.01 179.87 2jtt h LEU 34 N 0.57 0.13 -1.31 1.64 7.12 -0.98 -1.48 115.31 121.01 2jtt h LEU 34 Ca 0.14 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.14 2jtt h LEU 34 Cb 0.17 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.25 2jtt h LEU 34 CO -0.01 0.10 0.26 0.11 -0.13 0.00 0.00 178.44 178.78 2jtt h LYS 35 N 0.18 0.74 -0.80 1.25 1.57 -1.19 -1.63 116.57 116.70 2jtt h LYS 35 Ca 0.07 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2jtt h LYS 35 Cb 0.01 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 2jtt h LYS 35 CO -0.04 0.57 0.33 0.93 -0.57 0.00 0.00 179.45 180.66 2jtt h GLU 36 N 0.74 1.18 0.26 3.15 4.39 -0.71 -0.64 114.58 122.95 2jtt h GLU 36 Ca 0.19 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jtt h GLU 36 Cb 0.06 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2jtt h GLU 36 CO -0.03 0.95 -0.21 1.25 -1.16 0.00 0.00 179.01 179.82 2jtt h LEU 37 N 1.15 -0.54 -0.79 1.33 6.46 -0.91 -2.92 115.31 119.10 2jtt h LEU 37 Ca 0.27 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.11 2jtt h LEU 37 Cb 0.20 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 2jtt h LEU 37 CO -0.02 -0.32 0.49 0.40 -0.62 0.00 0.00 178.44 178.37 2jtt h ILE 38 N -0.48 1.09 -0.29 4.05 2.04 -1.04 -0.35 117.51 122.53 2jtt h ILE 38 Ca -0.01 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 2jtt h ILE 38 Cb 0.42 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2jtt h ILE 38 CO -0.01 0.17 -0.02 1.56 0.00 0.00 0.00 178.15 179.85 2jtt h GLN 39 N 0.94 0.44 0.07 2.37 4.20 -1.08 0.49 115.11 122.55 2jtt h GLN 39 Ca 0.33 -0.09 -0.30 0.00 0.06 0.00 0.00 58.65 58.65 2jtt h GLN 39 Cb 0.06 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2jtt h GLN 39 CO -0.13 0.48 -1.58 -0.22 -0.67 0.00 0.00 178.83 176.71 2jtt h LYS 40 N 0.42 0.14 0.02 1.46 1.63 -1.26 -3.30 116.57 115.67 2jtt h LYS 40 Ca 0.09 -0.24 -0.11 0.00 -0.85 0.00 0.00 60.65 59.54 2jtt h LYS 40 Cb 0.31 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2jtt h LYS 40 CO 0.01 0.91 -0.59 0.93 -3.45 0.00 0.00 179.45 177.26 2jtt h GLU 41 N 0.04 0.03 -0.77 1.90 4.39 -0.94 -3.39 114.58 115.83 2jtt h GLU 41 Ca -0.25 -0.06 -0.54 0.00 0.34 0.00 0.00 59.36 58.85 2jtt h GLU 41 Cb 1.99 0.02 -0.35 0.00 -0.10 0.00 0.00 28.75 30.31 2jtt h GLU 41 CO 0.12 1.03 -0.24 1.28 -1.16 0.00 0.00 179.01 180.04 2jtt n LEU 42 N -4.47 5.64 -4.58 1.33 4.77 0.15 -5.06 117.00 114.78 2jtt n LEU 42 Ca -0.19 -4.51 -0.58 0.00 -0.03 0.00 0.00 56.01 50.70 2jtt n LEU 42 Cb 0.60 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2jtt n LEU 42 CO 0.30 1.83 1.47 0.41 -1.33 0.00 0.00 177.39 180.07 2jtt n THR 43 N -0.82 0.18 0.59 -5.08 -1.04 -1.23 -4.84 114.28 102.04 2jtt n THR 43 Ca 0.48 -0.08 0.12 0.00 -2.04 0.00 0.00 64.05 62.53 2jtt n THR 43 Cb 0.89 -1.07 0.09 0.00 -1.82 0.00 0.00 70.33 68.42 2jtt n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2jtt n ILE 44 N 5.41 0.23 0.00 12.58 -0.00 -1.26 -5.10 119.36 131.22 2jtt n ILE 44 Ca 0.36 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 2jtt n ILE 44 Cb 0.09 0.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.81 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 1.36 -0.50 3.57 3.28 0.00 -1.26 -4.78 105.19 106.86 2jtt n GLY 45 Ca 0.03 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2jtt n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtt s SER 46 N -1.48 6.63 0.36 1.61 0.01 -1.26 -4.88 113.70 114.68 2jtt s SER 46 Ca 0.00 -1.87 -0.15 0.00 1.31 0.00 0.00 55.95 55.23 2jtt s SER 46 Cb 0.00 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.70 2jtt s SER 46 CO 0.00 -1.38 0.74 -1.59 0.41 0.00 0.00 173.24 171.41 2jtt s LYS 47 N 4.68 2.10 0.00 12.44 -2.85 -1.26 -5.06 119.74 129.79 2jtt s LYS 47 Ca 0.50 -1.38 0.07 0.00 -1.00 0.00 0.00 55.97 54.16 2jtt s LYS 47 Cb 0.02 0.60 0.31 0.00 -2.06 0.00 0.00 37.83 36.70 2jtt s LYS 47 CO -0.02 -0.97 1.16 1.47 0.10 0.00 0.00 175.35 177.09 2jtt n LEU 48 N -0.52 0.00 0.00 2.77 -0.00 -1.26 -2.89 117.00 115.10 2jtt n LEU 48 Ca -0.06 0.41 0.05 0.00 -0.00 0.00 0.00 56.01 56.41 2jtt n LEU 48 Cb 0.60 -0.41 0.23 0.00 -0.00 0.00 0.00 43.42 43.83 2jtt n LEU 48 CO 0.24 -0.32 0.65 0.00 -0.00 0.00 0.00 177.39 177.96 2jtt n GLN 49 N -1.41 0.04 0.20 1.47 6.02 -1.26 -2.30 117.38 120.14 2jtt n GLN 49 Ca 0.02 0.29 0.17 0.00 -0.01 0.00 0.00 57.00 57.47 2jtt n GLN 49 Cb 0.07 -1.50 0.82 0.00 1.02 0.00 0.00 30.24 30.65 2jtt n GLN 49 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2jtt h ASP 50 N 0.00 0.00 0.04 1.08 3.58 -1.87 0.58 116.42 119.84 2jtt h ASP 50 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2jtt h ASP 50 Cb 0.16 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 2jtt h ASP 50 CO 0.00 0.00 -0.03 0.00 -2.88 0.00 0.00 179.24 176.33 2jtt h ALA 51 N 1.79 1.76 0.14 -0.78 0.00 -1.77 -0.01 119.26 120.39 2jtt h ALA 51 Ca 0.08 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 2jtt h ALA 51 Cb 0.46 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jtt h ALA 51 CO -0.00 0.04 -1.29 0.93 0.00 0.00 0.00 179.25 178.92 2jtt h GLU 52 N 0.00 0.29 -0.47 0.00 5.08 -1.12 -3.23 114.58 115.13 2jtt h GLU 52 Ca -0.00 -0.50 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 2jtt h GLU 52 Cb 0.06 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jtt h GLU 52 CO 0.00 1.23 -0.19 0.82 -1.00 0.00 0.00 179.01 179.87 2jtt h ILE 53 N 0.08 1.27 0.00 3.13 1.08 -1.01 0.20 117.51 122.26 2jtt h ILE 53 Ca -0.16 -1.33 -0.06 0.00 -0.39 0.00 0.00 64.86 62.92 2jtt h ILE 53 Cb 1.99 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.84 2jtt h ILE 53 CO 0.21 0.46 -0.29 -0.37 -0.69 0.00 0.00 178.15 177.46 2jtt h VAL 54 N 0.81 1.21 -0.03 1.67 -1.51 -1.18 0.43 116.25 117.65 2jtt h VAL 54 Ca 0.11 -1.01 -0.23 0.00 -1.23 0.00 0.00 66.70 64.34 2jtt h VAL 54 Cb 0.74 1.55 0.01 0.00 -2.13 0.00 0.00 31.29 31.45 2jtt h VAL 54 CO 0.06 0.29 -0.92 0.50 -1.23 0.00 0.00 177.57 176.27 2jtt h LYS 55 N 0.00 0.54 -0.67 5.19 1.63 -1.48 -2.16 116.57 119.62 2jtt h LYS 55 Ca -0.00 -0.54 -0.05 0.00 -0.85 0.00 0.00 60.65 59.21 2jtt h LYS 55 Cb 0.52 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 2jtt h LYS 55 CO 0.04 1.17 0.23 1.25 -3.45 0.00 0.00 179.45 178.68 2jtt h LEU 56 N 0.32 0.96 -1.18 5.20 5.85 -0.65 -1.75 115.31 124.06 2jtt h LEU 56 Ca -0.08 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2jtt h LEU 56 Cb 1.55 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2jtt h LEU 56 CO 0.17 0.90 0.56 -0.03 -0.34 0.00 0.00 178.44 179.70 2jtt h MET 57 N 0.97 1.06 -0.59 1.25 4.05 -0.93 -0.53 114.93 120.21 2jtt h MET 57 Ca 0.22 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 2jtt h MET 57 Cb 0.27 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 2jtt h MET 57 CO -0.01 0.70 0.12 0.22 0.23 0.00 0.00 176.91 178.17 2jtt h ASP 58 N 1.09 0.88 0.99 1.39 3.58 -0.94 0.17 116.42 123.58 2jtt h ASP 58 Ca 0.33 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2jtt h ASP 58 Cb -0.04 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2jtt h ASP 58 CO -0.09 0.87 -0.30 0.44 -2.88 0.00 0.00 179.24 177.28 2jtt h ASP 59 N 0.88 0.00 0.01 2.28 3.32 -0.74 -2.40 116.42 119.78 2jtt h ASP 59 Ca 0.19 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2jtt h ASP 59 Cb 0.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2jtt h ASP 59 CO 0.00 0.30 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.47 2jtt h LEU 60 N 0.00 0.23 -2.70 1.55 3.38 -0.85 -3.33 115.31 113.59 2jtt h LEU 60 Ca -0.00 -0.81 -0.00 0.00 0.09 0.00 0.00 57.88 57.16 2jtt h LEU 60 Cb 0.88 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2jtt h LEU 60 CO 0.04 1.01 -0.01 -0.78 0.09 0.00 0.00 178.44 178.80 2jtt h ASP 61 N -0.52 0.00 -0.90 -0.43 3.58 -0.65 -2.18 116.42 115.33 2jtt h ASP 61 Ca -0.04 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.61 2jtt h ASP 61 Cb 1.07 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.05 2jtt h ASP 61 CO 0.06 0.01 0.59 -0.09 -2.88 0.00 0.00 179.24 176.93 2jtt h ARG 62 N 0.00 0.40 -0.08 0.28 2.43 -1.53 -2.63 114.38 113.24 2jtt h ARG 62 Ca -0.00 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 2jtt h ARG 62 Cb 0.04 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2jtt h ARG 62 CO 0.00 0.26 -0.75 -0.91 -1.51 0.00 0.00 179.97 177.06 2jtt h ASN 63 N 0.41 0.56 -2.62 -3.80 2.35 -1.60 -3.45 115.58 107.42 2jtt h ASN 63 Ca 0.47 -0.37 0.09 0.00 -0.55 0.00 0.00 56.30 55.93 2jtt h ASN 63 Cb 1.15 -0.17 -0.25 0.00 0.05 0.00 0.00 38.32 39.11 2jtt h ASN 63 CO -0.18 1.12 0.26 -0.75 -1.65 0.00 0.00 177.43 176.24 2jtt s LYS 64 N -3.61 0.48 0.23 0.81 2.20 -1.00 -5.03 119.74 113.82 2jtt s LYS 64 Ca -0.06 0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 56.09 2jtt s LYS 64 Cb 0.10 0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 36.45 2jtt s LYS 64 CO 0.85 -0.10 1.13 0.16 -0.36 0.00 0.00 175.35 177.03 2jtt s ASP 65 N 1.49 7.20 0.00 1.43 -4.77 -1.19 -4.16 116.67 116.67 2jtt s ASP 65 Ca -0.09 2.24 0.00 0.00 -3.30 0.00 0.00 52.55 51.40 2jtt s ASP 65 Cb -0.04 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2jtt s ASP 65 CO -0.17 -0.24 0.00 1.67 0.70 0.00 0.00 175.17 177.14 2jtt n GLN 66 N 1.79 0.00 -3.80 2.11 7.27 -1.26 -4.80 117.38 118.69 2jtt n GLN 66 Ca 0.01 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.83 2jtt n GLN 66 Cb 0.45 -0.05 -0.17 0.00 2.41 0.00 0.00 30.24 32.88 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2jtt s GLU 67 N 0.00 0.86 -0.47 3.69 2.02 -1.26 -1.48 118.70 122.07 2jtt s GLU 67 Ca 0.00 -0.15 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 2jtt s GLU 67 Cb 0.00 -1.46 0.08 0.00 0.10 0.00 0.00 34.13 32.85 2jtt s GLU 67 CO 0.00 -0.39 0.38 0.08 0.02 0.00 0.00 175.26 175.35 2jtt s VAL 68 N 1.86 5.03 0.73 2.63 1.01 0.70 -4.78 120.40 127.59 2jtt s VAL 68 Ca 0.03 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 2jtt s VAL 68 Cb -0.14 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2jtt s VAL 68 CO -0.07 -0.59 1.10 0.21 0.00 0.00 0.00 175.10 175.75 2jtt s ASN 69 N 2.60 5.17 0.46 3.32 3.84 -1.26 -1.20 114.94 127.86 2jtt s ASN 69 Ca 0.04 1.15 0.13 0.00 0.21 0.00 0.00 52.86 54.39 2jtt s ASN 69 Cb -0.25 -1.92 1.07 0.00 -0.55 0.00 0.00 41.25 39.60 2jtt s ASN 69 CO 0.05 -1.52 2.06 0.15 -2.79 0.00 0.00 177.10 175.05 2jtt h PHE 70 N -0.78 0.30 -0.05 0.43 3.57 -1.96 -1.22 116.94 117.24 2jtt h PHE 70 Ca -0.45 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2jtt h PHE 70 Cb 1.26 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 2jtt h PHE 70 CO 0.48 0.17 0.03 0.37 -2.23 0.00 0.00 178.31 177.13 2jtt h GLN 71 N 0.31 0.06 -0.18 1.11 5.75 -1.93 -1.99 115.11 118.24 2jtt h GLN 71 Ca 0.15 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.52 2jtt h GLN 71 Cb 0.21 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2jtt h GLN 71 CO -0.03 0.10 -0.41 0.93 -2.65 0.00 0.00 178.83 176.77 2jtt h GLU 72 N 0.01 0.42 -0.36 1.69 3.07 -1.69 -0.76 114.58 116.96 2jtt h GLU 72 Ca 0.02 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 2jtt h GLU 72 Cb 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2jtt h GLU 72 CO -0.00 0.76 0.23 -0.92 -1.40 0.00 0.00 179.01 177.68 2jtt h TYR 73 N 0.35 0.45 -0.01 4.33 3.20 -1.18 -0.94 116.97 123.17 2jtt h TYR 73 Ca 0.03 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 2jtt h TYR 73 Cb 0.87 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2jtt h TYR 73 CO 0.03 0.30 -0.72 0.82 -1.64 0.00 0.00 178.16 176.95 2jtt h ILE 74 N 0.48 1.48 -0.57 1.81 2.04 -1.25 -2.49 117.51 119.01 2jtt h ILE 74 Ca 0.13 -2.37 0.03 0.00 1.00 0.00 0.00 64.86 63.65 2jtt h ILE 74 Cb -0.04 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 2jtt h ILE 74 CO -0.03 0.68 0.34 0.74 0.00 0.00 0.00 178.15 179.88 2jtt h THR 75 N 0.05 1.04 -0.54 -0.27 2.02 -0.93 -0.87 112.91 113.42 2jtt h THR 75 Ca -0.01 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 2jtt h THR 75 Cb 1.27 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2jtt h THR 75 CO 0.10 0.12 0.04 0.15 0.37 0.00 0.00 175.52 176.30 2jtt h PHE 76 N 0.66 0.95 0.00 3.16 3.57 -1.06 -1.93 116.94 122.29 2jtt h PHE 76 Ca 0.23 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2jtt h PHE 76 Cb 0.05 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2jtt h PHE 76 CO -0.06 0.84 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.56 2jtt h LEU 77 N 0.84 0.00 -0.36 0.59 3.38 -0.97 0.15 115.31 118.94 2jtt h LEU 77 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2jtt h LEU 77 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2jtt h LEU 77 CO 0.02 0.23 -0.13 1.23 0.09 0.00 0.00 178.44 179.87 2jtt h GLY 78 N 0.79 0.78 1.24 0.83 0.00 -0.71 -0.79 103.07 105.21 2jtt h GLY 78 Ca -0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 2jtt h GLY 78 CO 0.03 0.62 0.01 0.00 0.00 0.00 0.00 176.54 177.19 2jtt h ALA 79 N 0.80 0.99 -0.50 3.60 0.00 -0.90 -2.66 119.26 120.60 2jtt h ALA 79 Ca 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2jtt h ALA 79 Cb 0.66 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2jtt h ALA 79 CO 0.04 0.62 0.21 1.25 0.00 0.00 0.00 179.25 181.37 2jtt h LEU 80 N 0.85 0.68 -1.25 0.00 5.85 -0.67 -2.71 115.31 118.05 2jtt h LEU 80 Ca 0.16 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2jtt h LEU 80 Cb 0.49 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2jtt h LEU 80 CO 0.02 0.65 0.53 0.00 -0.34 0.00 0.00 178.44 179.30 2jtt h ALA 81 N 1.06 1.54 0.00 1.25 0.00 -1.03 -1.38 119.26 120.70 2jtt h ALA 81 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jtt h ALA 81 Cb 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jtt h ALA 81 CO -0.02 0.37 0.00 0.52 0.00 0.00 0.00 179.25 180.12 2jtt h MET 82 N 0.96 0.00 -0.43 0.00 2.86 -1.16 -2.55 114.93 114.61 2jtt h MET 82 Ca 0.33 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.87 2jtt h MET 82 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2jtt h MET 82 CO -0.10 0.00 -0.14 0.82 1.06 0.00 0.00 176.91 178.55 2jtt h ILE 83 N 0.00 1.26 0.00 -1.22 1.08 -1.05 -3.34 117.51 114.24 2jtt h ILE 83 Ca 0.00 -1.22 -0.26 0.00 -0.39 0.00 0.00 64.86 63.00 2jtt h ILE 83 Cb 0.37 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 2jtt h ILE 83 CO 0.00 0.41 0.33 -1.22 -0.69 0.00 0.00 178.15 176.99 2jtt n TYR 84 N -4.15 0.38 -0.36 1.37 4.01 -0.96 -4.79 117.16 112.66 2jtt n TYR 84 Ca 0.01 -1.68 0.28 0.00 -0.16 0.00 0.00 57.90 56.35 2jtt n TYR 84 Cb 0.39 -1.68 0.54 0.00 -0.31 0.00 0.00 39.34 38.27 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 3.49 0.42 0.25 7.72 -0.73 -1.78 -1.06 115.58 123.88 2jtt h ASN 85 Ca 0.29 0.17 -0.05 0.00 1.87 0.00 0.00 56.30 58.58 2jtt h ASN 85 Cb 1.25 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.97 2jtt h ASN 85 CO 0.49 -0.16 -0.24 -0.08 -0.37 0.00 0.00 177.43 177.07 2jtt h GLU 86 N 0.23 0.00 -0.28 6.67 4.81 -1.95 -2.41 114.58 121.64 2jtt h GLU 86 Ca 0.76 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.87 2jtt h GLU 86 Cb 1.96 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.33 2jtt h GLU 86 CO -0.55 0.24 -0.31 0.00 -0.73 0.00 0.00 179.01 177.66 2jtt h ALA 87 N 1.76 0.93 0.00 2.92 0.00 -1.57 -1.66 119.26 121.64 2jtt h ALA 87 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jtt h ALA 87 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jtt h ALA 87 CO 0.03 0.62 -0.00 -0.07 0.00 0.00 0.00 179.25 179.82 2jtt h LEU 88 N 0.51 -0.00 0.00 0.00 3.38 -1.50 -3.30 115.31 114.40 2jtt h LEU 88 Ca 0.06 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2jtt h LEU 88 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2jtt h LEU 88 CO 0.06 0.36 -0.89 0.07 0.09 0.00 0.00 178.44 178.13 2jtt h LYS 89 N -0.37 0.00 0.00 1.13 2.10 -1.61 -3.53 116.57 114.30 2jtt h LYS 89 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jtt h LYS 89 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2jtt h LYS 89 CO 0.00 0.39 0.00 0.41 -2.00 0.00 0.00 179.45 178.25