#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 0.00 0.24 3.04 0.00 -1.26 -5.00 120.51 117.53 2jtt n ALA 2 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2jtt n ALA 2 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 2jtt n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jtt h SER 3 N 0.00 0.00 -0.37 0.00 4.64 -2.05 -2.99 113.55 112.78 2jtt h SER 3 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jtt h SER 3 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2jtt h SER 3 CO 0.00 0.00 0.20 -0.65 -0.87 0.00 0.00 176.83 175.51 2jtt h PRO 4 N 0.00 0.51 -0.00 4.77 0.11 -2.00 -1.76 132.00 133.64 2jtt h PRO 4 Ca 0.02 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.82 2jtt h PRO 4 Cb 0.09 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.11 2jtt h PRO 4 CO -0.00 0.42 -1.01 1.25 -0.21 0.00 0.00 178.00 178.45 2jtt h LEU 5 N 0.47 0.79 -0.42 2.35 5.85 -1.97 -3.17 115.31 119.22 2jtt h LEU 5 Ca 0.13 -0.63 0.04 0.00 0.84 0.00 0.00 57.88 58.26 2jtt h LEU 5 Cb 0.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2jtt h LEU 5 CO -0.02 1.43 0.18 -0.78 -0.34 0.00 0.00 178.44 178.92 2jtt h ASP 6 N 0.35 0.24 1.01 1.25 1.82 -1.49 -0.46 116.42 119.13 2jtt h ASP 6 Ca -0.11 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2jtt h ASP 6 Cb 1.66 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.66 2jtt h ASP 6 CO 0.19 0.18 -0.03 0.06 -1.61 0.00 0.00 179.24 178.03 2jtt h GLN 7 N 0.37 0.00 0.05 0.28 3.07 -1.41 -1.08 115.11 116.40 2jtt h GLN 7 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.83 2jtt h GLN 7 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 2jtt h GLN 7 CO -0.15 0.03 -0.46 0.00 0.09 0.00 0.00 178.83 178.34 2jtt h ALA 8 N 1.97 0.00 -0.33 0.06 0.00 -1.31 -2.77 119.26 116.89 2jtt h ALA 8 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 2jtt h ALA 8 Cb 0.54 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2jtt h ALA 8 CO 0.00 0.23 0.05 -0.84 0.00 0.00 0.00 179.25 178.70 2jtt h ILE 9 N -0.75 1.17 0.00 0.00 3.07 -1.09 -1.84 117.51 118.07 2jtt h ILE 9 Ca -0.09 -0.62 -0.06 0.00 1.55 0.00 0.00 64.86 65.64 2jtt h ILE 9 Cb 1.29 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 2jtt h ILE 9 CO 0.04 0.22 -0.28 1.23 -1.05 0.00 0.00 178.15 178.31 2jtt h GLY 10 N 0.74 0.00 0.85 0.16 0.00 -1.31 -2.55 103.07 100.96 2jtt h GLY 10 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2jtt h GLY 10 CO 0.00 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.46 2jtt h LEU 11 N 0.00 -0.18 -1.14 3.11 7.12 -1.03 -0.82 115.31 122.37 2jtt h LEU 11 Ca -0.00 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.88 2jtt h LEU 11 Cb 0.51 0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 2jtt h LEU 11 CO 0.04 0.01 0.41 -0.07 -0.13 0.00 0.00 178.44 178.69 2jtt h LEU 12 N -0.36 0.89 -0.15 2.25 4.07 -1.46 0.20 115.31 120.75 2jtt h LEU 12 Ca -0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 2jtt h LEU 12 Cb 0.28 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2jtt h LEU 12 CO 0.04 0.71 0.08 0.40 -1.08 0.00 0.00 178.44 178.58 2jtt h ILE 13 N 1.01 1.11 -0.39 1.22 2.04 -1.32 -2.22 117.51 118.96 2jtt h ILE 13 Ca 0.26 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 2jtt h ILE 13 Cb 0.01 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2jtt h ILE 13 CO -0.04 0.10 -0.29 1.23 0.00 0.00 0.00 178.15 179.15 2jtt h GLY 14 N 0.13 0.90 1.28 5.37 0.00 -0.69 -1.03 103.07 109.03 2jtt h GLY 14 Ca 0.05 -0.83 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 2jtt h GLY 14 CO -0.01 0.75 0.10 -2.22 0.00 0.00 0.00 176.54 175.16 2jtt h ILE 15 N 0.71 1.24 0.10 2.60 2.04 -1.01 -3.30 117.51 119.88 2jtt h ILE 15 Ca 0.08 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2jtt h ILE 15 Cb 0.83 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2jtt h ILE 15 CO 0.07 0.34 -0.05 0.15 0.00 0.00 0.00 178.15 178.66 2jtt h PHE 16 N 0.85 -0.12 0.00 1.37 3.04 -1.07 -3.39 116.94 117.62 2jtt h PHE 16 Ca 0.18 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 2jtt h PHE 16 Cb 0.37 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 2jtt h PHE 16 CO 0.02 -0.05 -0.10 1.25 -2.02 0.00 0.00 178.31 177.42 2jtt h HIS 17 N -1.03 0.00 -0.07 0.41 2.76 -1.35 -2.12 115.15 113.75 2jtt h HIS 17 Ca -0.01 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2jtt h HIS 17 Cb 0.13 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2jtt h HIS 17 CO 0.01 0.10 -0.08 1.57 -1.30 0.00 0.00 177.93 178.23 2jtt h LYS 18 N 0.00 0.10 0.21 5.26 2.10 -1.76 -2.60 116.57 119.88 2jtt h LYS 18 Ca -0.00 -0.01 -0.32 0.00 -2.00 0.00 0.00 60.65 58.31 2jtt h LYS 18 Cb 0.49 -0.02 0.03 0.00 -0.90 0.00 0.00 32.23 31.82 2jtt h LYS 18 CO 0.01 0.18 -1.48 1.88 -2.00 0.00 0.00 179.45 178.04 2jtt h TYR 19 N 0.09 0.83 0.00 0.07 0.05 -1.59 -3.39 116.97 113.03 2jtt h TYR 19 Ca 0.02 -0.60 0.00 0.00 0.05 0.00 0.00 58.73 58.20 2jtt h TYR 19 Cb 0.20 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2jtt h TYR 19 CO 0.00 1.57 0.00 0.43 -1.05 0.00 0.00 178.16 179.11 2jtt n SER 20 N -3.75 0.41 -0.76 3.88 7.64 -0.99 -1.09 113.62 118.97 2jtt n SER 20 Ca -0.19 0.67 0.13 0.00 1.01 0.00 0.00 58.87 60.48 2jtt n SER 20 Cb 1.05 -0.73 0.26 0.00 -1.01 0.00 0.00 64.21 63.78 2jtt n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jtt n GLY 21 N -1.02 0.58 0.15 0.23 0.00 -1.15 -3.13 105.19 100.85 2jtt n GLY 21 Ca -0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 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 3.72 0.47 0.00 1.61 3.64 -1.32 -3.42 116.57 121.26 2jtt h LYS 22 Ca 0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2jtt h LYS 22 Cb 0.80 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2jtt h LYS 22 CO 0.00 1.25 -0.59 0.39 -2.27 0.00 0.00 179.45 178.23 2jtt n GLU 23 N -4.03 1.90 -0.83 1.90 1.02 -1.26 -5.08 120.64 114.26 2jtt n GLU 23 Ca -0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.97 2jtt n GLU 23 Cb 0.84 -0.80 0.03 0.00 -0.02 0.00 0.00 31.44 31.48 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 2.13 0.29 0.00 0.62 0.00 -1.23 -5.09 105.19 101.91 2jtt n GLY 24 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2jtt n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jtt n ASP 25 N -3.02 0.00 -1.95 1.61 8.00 -1.18 -4.31 116.55 115.70 2jtt n ASP 25 Ca 0.03 -1.00 -0.06 0.00 0.71 0.00 0.00 54.79 54.47 2jtt n ASP 25 Cb 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 2jtt n ASP 25 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jtt n LYS 26 N 0.00 0.58 -0.29 -1.24 5.02 -1.26 -5.00 118.16 115.98 2jtt n LYS 26 Ca 0.00 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 2jtt n LYS 26 Cb 0.33 0.60 0.00 0.00 -0.02 0.00 0.00 35.03 35.94 2jtt n LYS 26 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2jtt n HIS 27 N -0.23 0.00 -3.77 2.13 1.44 -1.26 -4.73 115.22 108.80 2jtt n HIS 27 Ca -0.00 -0.67 -0.14 0.00 -2.01 0.00 0.00 57.72 54.90 2jtt n HIS 27 Cb 0.17 -0.38 -0.15 0.00 0.12 0.00 0.00 29.99 29.74 2jtt n HIS 27 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2jtt s THR 28 N 0.41 -0.05 -0.01 0.61 2.01 -1.26 -1.69 115.64 115.65 2jtt s THR 28 Ca 0.00 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.01 2jtt s THR 28 Cb 0.00 -0.16 -0.06 0.00 0.01 0.00 0.00 72.50 72.30 2jtt s THR 28 CO 0.00 0.07 0.47 -0.76 -0.69 0.00 0.00 174.62 173.71 2jtt s LEU 29 N 0.99 4.44 0.53 4.42 1.43 -0.16 -4.77 118.68 125.55 2jtt s LEU 29 Ca -0.08 1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 53.86 2jtt s LEU 29 Cb -0.11 -2.69 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 2jtt s LEU 29 CO -0.04 0.23 1.00 -0.55 0.23 0.00 0.00 176.35 177.22 2jtt s SER 30 N -0.64 6.47 0.32 2.29 0.15 -1.26 -0.24 113.70 120.78 2jtt s SER 30 Ca 0.26 1.62 0.03 0.00 0.70 0.00 0.00 55.95 58.56 2jtt s SER 30 Cb -0.17 -2.51 0.62 0.00 -1.71 0.00 0.00 66.02 62.25 2jtt s SER 30 CO 0.14 -0.69 1.90 0.07 1.20 0.00 0.00 173.24 175.86 2jtt h LYS 31 N 0.84 0.89 -0.34 5.44 2.10 -1.80 0.25 116.57 123.95 2jtt h LYS 31 Ca -0.47 -0.05 -0.12 0.00 -2.00 0.00 0.00 60.65 58.01 2jtt h LYS 31 Cb 1.19 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 2jtt h LYS 31 CO 0.61 0.59 -0.28 -0.22 -2.00 0.00 0.00 179.45 178.15 2jtt h LYS 32 N 0.92 0.71 -0.52 0.07 3.64 -1.94 -1.38 116.57 118.07 2jtt h LYS 32 Ca 0.40 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2jtt h LYS 32 Cb 0.35 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2jtt h LYS 32 CO -0.17 0.91 -0.13 1.49 -2.27 0.00 0.00 179.45 179.27 2jtt h GLU 33 N 0.61 1.00 -0.43 1.90 4.81 -1.49 -0.91 114.58 120.07 2jtt h GLU 33 Ca 0.08 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 2jtt h GLU 33 Cb 0.78 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2jtt h GLU 33 CO 0.06 1.07 0.16 1.25 -0.73 0.00 0.00 179.01 180.82 2jtt h LEU 34 N 0.87 0.61 -1.02 1.64 7.12 -1.00 -1.91 115.31 121.62 2jtt h LEU 34 Ca 0.13 -0.18 0.01 0.00 0.13 0.00 0.00 57.88 57.97 2jtt h LEU 34 Cb 0.70 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.63 2jtt h LEU 34 CO 0.05 0.63 0.67 0.50 -0.13 0.00 0.00 178.44 180.15 2jtt h LYS 35 N 0.56 1.32 -0.42 1.25 3.64 -0.88 -0.70 116.57 121.34 2jtt h LYS 35 Ca 0.14 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2jtt h LYS 35 Cb 0.22 -0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2jtt h LYS 35 CO -0.01 0.87 0.20 0.93 -2.27 0.00 0.00 179.45 179.18 2jtt h GLU 36 N 1.36 0.60 -0.24 1.90 4.39 -1.08 -1.30 114.58 120.22 2jtt h GLU 36 Ca 0.37 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 60.04 2jtt h GLU 36 Cb -0.16 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.31 2jtt h GLU 36 CO -0.08 0.52 -0.24 1.25 -1.16 0.00 0.00 179.01 179.29 2jtt h LEU 37 N 0.53 -0.78 -0.21 1.33 6.46 -0.79 -1.34 115.31 120.51 2jtt h LEU 37 Ca 0.14 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 2jtt h LEU 37 Cb 0.11 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2jtt h LEU 37 CO -0.02 -0.28 0.10 0.40 -0.62 0.00 0.00 178.44 178.02 2jtt h ILE 38 N -0.26 1.15 -0.15 4.05 2.04 -0.92 0.12 117.51 123.55 2jtt h ILE 38 Ca 0.13 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 2jtt h ILE 38 Cb 0.46 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2jtt h ILE 38 CO -0.38 0.14 -0.27 1.56 0.00 0.00 0.00 178.15 179.20 2jtt h GLN 39 N 0.21 0.28 0.15 2.37 1.08 -1.14 -0.83 115.11 117.24 2jtt h GLN 39 Ca 0.07 -0.10 -0.27 0.00 -1.45 0.00 0.00 58.65 56.91 2jtt h GLN 39 Cb 0.14 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2jtt h GLN 39 CO -0.01 0.54 -1.28 0.87 -0.95 0.00 0.00 178.83 178.00 2jtt h LYS 40 N 0.25 0.32 0.11 1.46 1.79 -1.11 -3.37 116.57 116.04 2jtt h LYS 40 Ca 0.04 -0.55 -0.28 0.00 -2.18 0.00 0.00 60.65 57.68 2jtt h LYS 40 Cb 0.62 0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 2jtt h LYS 40 CO 0.04 1.27 -1.41 0.93 -1.08 0.00 0.00 179.45 179.20 2jtt h GLU 41 N -0.21 0.24 -2.39 3.15 4.39 -0.76 -3.38 114.58 115.62 2jtt h GLU 41 Ca -0.25 -0.41 -0.73 0.00 0.34 0.00 0.00 59.36 58.30 2jtt h GLU 41 Cb 1.83 0.15 -0.32 0.00 -0.10 0.00 0.00 28.75 30.30 2jtt h GLU 41 CO 0.14 1.20 0.40 1.28 -1.16 0.00 0.00 179.01 180.86 2jtt n LEU 42 N -3.93 6.09 -4.59 1.33 4.32 -0.32 -5.06 117.00 114.85 2jtt n LEU 42 Ca -0.25 -5.44 -0.45 0.00 -0.02 0.00 0.00 56.01 49.85 2jtt n LEU 42 Cb 0.90 -0.99 -0.02 0.00 -1.62 0.00 0.00 43.42 41.69 2jtt n LEU 42 CO 0.41 2.06 0.62 0.35 -1.22 0.00 0.00 177.39 179.60 2jtt n THR 43 N 0.27 1.74 -4.38 -5.08 -2.24 -1.26 -4.65 114.28 98.68 2jtt n THR 43 Ca 0.37 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 2jtt n THR 43 Cb 0.32 -0.99 -0.17 0.00 -2.10 0.00 0.00 70.33 67.39 2jtt n THR 43 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jtt s ILE 44 N -0.85 1.54 -0.08 2.28 1.01 -1.26 -5.02 121.20 118.82 2jtt s ILE 44 Ca 0.62 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.66 2jtt s ILE 44 Cb -0.73 -1.41 -0.24 0.00 0.01 0.00 0.00 42.46 40.09 2jtt s ILE 44 CO 0.58 0.45 0.53 0.61 0.00 0.00 0.00 174.94 177.11 2jtt n GLY 45 N 4.31 -0.82 2.54 6.18 0.00 -1.26 -4.48 105.19 111.67 2jtt n GLY 45 Ca -0.19 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2jtt n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jtt n SER 46 N -3.22 6.40 0.00 1.61 7.64 -1.26 -4.83 113.62 119.95 2jtt n SER 46 Ca -0.23 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 56.87 2jtt n SER 46 Cb 1.05 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2jtt n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jtt n LYS 47 N 4.47 0.00 0.30 1.43 5.02 -1.26 -1.37 118.16 126.75 2jtt n LYS 47 Ca 0.63 0.46 0.17 0.00 -2.02 0.00 0.00 58.31 57.55 2jtt n LYS 47 Cb 0.31 -1.50 0.96 0.00 -0.02 0.00 0.00 35.03 34.78 2jtt n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jtt h LEU 48 N 0.00 0.00 -0.11 -0.35 -0.00 -1.97 -1.72 115.31 111.16 2jtt h LEU 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jtt h LEU 48 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2jtt h LEU 48 CO 0.00 0.02 0.00 1.67 -0.00 0.00 0.00 178.44 180.13 2jtt n GLN 49 N -3.60 0.02 0.27 1.13 7.27 -0.47 -3.40 117.38 118.60 2jtt n GLN 49 Ca -0.03 0.32 0.16 0.00 0.07 0.00 0.00 57.00 57.52 2jtt n GLN 49 Cb 0.11 -1.55 0.89 0.00 2.41 0.00 0.00 30.24 32.09 2jtt n GLN 49 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2jtt h ASP 50 N 0.00 0.00 0.16 1.69 3.58 -1.55 0.15 116.42 120.45 2jtt h ASP 50 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2jtt h ASP 50 Cb 0.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2jtt h ASP 50 CO 0.00 0.00 -0.16 0.00 -2.88 0.00 0.00 179.24 176.20 2jtt h ALA 51 N 1.92 1.73 0.08 -0.78 0.00 -1.81 0.59 119.26 120.98 2jtt h ALA 51 Ca 0.03 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 2jtt h ALA 51 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jtt h ALA 51 CO -0.00 0.20 -1.27 0.93 0.00 0.00 0.00 179.25 179.10 2jtt h GLU 52 N 0.00 0.18 -0.64 0.00 5.08 -0.99 -3.24 114.58 114.97 2jtt h GLU 52 Ca -0.00 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2jtt h GLU 52 Cb 0.28 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2jtt h GLU 52 CO 0.02 1.09 0.10 0.82 -1.00 0.00 0.00 179.01 180.05 2jtt h ILE 53 N 0.05 1.26 0.00 3.13 1.08 -0.65 -0.11 117.51 122.27 2jtt h ILE 53 Ca -0.13 -1.02 -0.05 0.00 -0.39 0.00 0.00 64.86 63.27 2jtt h ILE 53 Cb 1.93 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 2jtt h ILE 53 CO 0.17 0.38 -0.22 -0.37 -0.69 0.00 0.00 178.15 177.42 2jtt h VAL 54 N 0.99 0.77 -0.03 1.67 -1.51 -1.04 0.21 116.25 117.32 2jtt h VAL 54 Ca 0.20 -0.88 -0.22 0.00 -1.23 0.00 0.00 66.70 64.58 2jtt h VAL 54 Cb 0.43 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2jtt h VAL 54 CO 0.01 0.21 -0.88 0.50 -1.23 0.00 0.00 177.57 176.18 2jtt h LYS 55 N 0.00 0.43 -0.30 5.19 1.63 -1.45 -1.85 116.57 120.22 2jtt h LYS 55 Ca -0.00 -0.42 -0.11 0.00 -0.85 0.00 0.00 60.65 59.26 2jtt h LYS 55 Cb 0.52 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2jtt h LYS 55 CO 0.03 1.08 -0.28 1.25 -3.45 0.00 0.00 179.45 178.08 2jtt h LEU 56 N 0.26 0.63 -0.64 5.20 6.46 -0.61 -1.63 115.31 124.97 2jtt h LEU 56 Ca -0.07 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2jtt h LEU 56 Cb 1.50 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 2jtt h LEU 56 CO 0.15 0.88 0.38 -0.03 -0.62 0.00 0.00 178.44 179.21 2jtt h MET 57 N 0.53 0.87 -0.66 1.25 4.05 -0.60 -0.76 114.93 119.62 2jtt h MET 57 Ca 0.07 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2jtt h MET 57 Cb 0.75 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.32 2jtt h MET 57 CO 0.06 0.62 0.40 0.22 0.23 0.00 0.00 176.91 178.44 2jtt h ASP 58 N 0.87 0.63 -0.36 1.39 3.58 -1.17 0.91 116.42 122.28 2jtt h ASP 58 Ca 0.23 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 2jtt h ASP 58 Cb -0.02 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2jtt h ASP 58 CO -0.04 0.43 -0.00 -0.78 -2.88 0.00 0.00 179.24 175.97 2jtt h ASP 59 N 0.77 0.70 -0.35 2.28 3.58 -0.88 -2.29 116.42 120.22 2jtt h ASP 59 Ca 0.28 -0.16 -0.16 0.00 0.42 0.00 0.00 57.03 57.41 2jtt h ASP 59 Cb 0.08 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 2jtt h ASP 59 CO -0.13 0.77 -0.40 -0.07 -2.88 0.00 0.00 179.24 176.52 2jtt h LEU 60 N 0.68 0.97 -1.74 2.28 3.38 -0.96 -3.27 115.31 116.65 2jtt h LEU 60 Ca 0.14 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2jtt h LEU 60 Cb 0.43 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jtt h LEU 60 CO 0.02 1.25 0.00 -0.78 0.09 0.00 0.00 178.44 179.02 2jtt h ASP 61 N 0.70 0.00 0.00 -0.43 3.58 -0.50 -3.03 116.42 116.74 2jtt h ASP 61 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2jtt h ASP 61 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2jtt h ASP 61 CO 0.10 0.00 0.13 0.03 -2.88 0.00 0.00 179.24 176.61 2jtt h ARG 62 N 0.00 0.00 0.00 0.28 2.47 -1.47 -2.56 114.38 113.10 2jtt h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jtt h ARG 62 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2jtt h ARG 62 CO 0.00 0.00 0.00 -0.91 0.56 0.00 0.00 179.97 179.62 2jtt h ASN 63 N 0.00 0.00 0.00 7.04 2.35 -1.77 -3.46 115.58 119.74 2jtt h ASN 63 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jtt h ASN 63 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2jtt h ASN 63 CO 0.00 0.00 0.00 1.17 -1.65 0.00 0.00 177.43 176.95 2jtt n LYS 64 N -2.69 0.00 0.00 0.81 4.81 -0.96 -4.96 118.16 115.16 2jtt n LYS 64 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2jtt n LYS 64 Cb 0.29 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.34 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 0.00 0.59 0.00 3.14 2.03 -1.26 -4.93 116.55 116.13 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 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.65 0.00 -4.00 -0.67 6.02 -1.26 -5.01 117.38 109.81 2jtt n GLN 66 Ca 0.00 -0.21 -0.10 0.00 -0.01 0.00 0.00 57.00 56.68 2jtt n GLN 66 Cb 0.31 -0.47 -0.07 0.00 1.02 0.00 0.00 30.24 31.04 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 1.28 -0.14 -1.09 1.03 -1.26 -2.23 118.70 116.29 2jtt s GLU 67 Ca 0.00 -1.25 -0.02 0.00 0.03 0.00 0.00 54.97 53.74 2jtt s GLU 67 Cb 0.00 0.39 0.04 0.00 -0.80 0.00 0.00 34.13 33.77 2jtt s GLU 67 CO 0.00 -0.49 -0.01 0.08 -1.33 0.00 0.00 175.26 173.52 2jtt s VAL 68 N -4.01 0.66 0.41 1.83 1.01 0.67 -3.92 120.40 117.05 2jtt s VAL 68 Ca 0.21 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 2jtt s VAL 68 Cb 0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 2jtt s VAL 68 CO 0.04 0.07 0.96 0.21 0.00 0.00 0.00 175.10 176.38 2jtt s ASN 69 N 1.83 6.95 0.20 3.32 3.84 -1.26 -0.99 114.94 128.82 2jtt s ASN 69 Ca 0.02 1.77 -0.15 0.00 0.21 0.00 0.00 52.86 54.70 2jtt s ASN 69 Cb -0.15 -2.55 0.19 0.00 -0.55 0.00 0.00 41.25 38.19 2jtt s ASN 69 CO -0.07 -0.35 1.63 0.15 -2.79 0.00 0.00 177.10 175.67 2jtt h PHE 70 N 2.17 -0.40 0.00 0.43 3.57 -1.72 -0.25 116.94 120.74 2jtt h PHE 70 Ca -0.49 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 2jtt h PHE 70 Cb 1.19 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 2jtt h PHE 70 CO 0.61 -0.27 -0.40 -0.56 -2.23 0.00 0.00 178.31 175.46 2jtt h GLN 71 N -0.04 0.00 0.02 1.11 3.07 -1.94 -0.86 115.11 116.47 2jtt h GLN 71 Ca 0.27 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.78 2jtt h GLN 71 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 2jtt h GLN 71 CO -0.60 0.40 -0.97 0.93 0.09 0.00 0.00 178.83 178.68 2jtt h GLU 72 N 0.00 0.30 -0.72 0.06 3.07 -1.75 -0.71 114.58 114.83 2jtt h GLU 72 Ca -0.00 -0.36 -0.00 0.00 -0.50 0.00 0.00 59.36 58.49 2jtt h GLU 72 Cb 0.86 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.84 2jtt h GLU 72 CO 0.05 1.07 0.43 -0.92 -1.40 0.00 0.00 179.01 178.24 2jtt h TYR 73 N 0.16 0.94 -0.52 4.33 3.20 -0.77 -0.79 116.97 123.52 2jtt h TYR 73 Ca -0.08 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 2jtt h TYR 73 Cb 1.63 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 2jtt h TYR 73 CO 0.05 0.64 -0.01 0.82 -1.64 0.00 0.00 178.16 178.02 2jtt h ILE 74 N 0.98 1.25 -0.66 1.81 2.04 -1.12 -1.99 117.51 119.81 2jtt h ILE 74 Ca 0.26 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2jtt h ILE 74 Cb -0.03 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2jtt h ILE 74 CO -0.05 0.38 0.31 0.74 0.00 0.00 0.00 178.15 179.53 2jtt h THR 75 N 0.81 1.22 -0.67 -0.27 2.02 -0.71 -0.52 112.91 114.79 2jtt h THR 75 Ca 0.15 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 2jtt h THR 75 Cb 0.50 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2jtt h THR 75 CO 0.02 0.26 0.11 0.15 0.37 0.00 0.00 175.52 176.43 2jtt h PHE 76 N 0.93 1.17 0.00 3.16 3.04 -0.96 -1.64 116.94 122.65 2jtt h PHE 76 Ca 0.23 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 2jtt h PHE 76 Cb 0.11 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.30 2jtt h PHE 76 CO 0.01 0.98 -0.10 -0.07 -2.02 0.00 0.00 178.31 177.11 2jtt h LEU 77 N 1.03 0.00 -0.32 0.59 3.38 -0.63 0.67 115.31 120.03 2jtt h LEU 77 Ca 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 2jtt h LEU 77 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2jtt h LEU 77 CO 0.01 0.10 -0.65 1.23 0.09 0.00 0.00 178.44 179.21 2jtt h GLY 78 N 0.75 0.77 1.43 0.83 0.00 -0.49 0.56 103.07 106.93 2jtt h GLY 78 Ca -0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 47.33 46.24 2jtt h GLY 78 CO 0.01 0.89 -0.21 0.00 0.00 0.00 0.00 176.54 177.23 2jtt h ALA 79 N 0.75 0.99 -0.45 3.60 0.00 -0.66 -2.16 119.26 121.33 2jtt h ALA 79 Ca -0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2jtt h ALA 79 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2jtt h ALA 79 CO 0.13 0.60 0.02 1.25 0.00 0.00 0.00 179.25 181.24 2jtt h LEU 80 N 0.59 0.76 -1.88 0.00 5.85 -0.84 0.12 115.31 119.92 2jtt h LEU 80 Ca 0.09 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2jtt h LEU 80 Cb 0.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2jtt h LEU 80 CO 0.05 0.87 0.19 0.00 -0.34 0.00 0.00 178.44 179.21 2jtt h ALA 81 N 0.92 2.06 0.03 1.25 0.00 -0.77 -1.68 119.26 121.07 2jtt h ALA 81 Ca 0.13 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 2jtt h ALA 81 Cb 0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jtt h ALA 81 CO 0.02 -0.11 -1.11 1.98 0.00 0.00 0.00 179.25 180.03 2jtt h MET 82 N 0.16 0.07 -0.19 0.00 1.85 -1.04 -3.31 114.93 112.46 2jtt h MET 82 Ca 0.12 -0.11 -0.06 0.00 -0.61 0.00 0.00 59.70 59.04 2jtt h MET 82 Cb 0.28 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 2jtt h MET 82 CO -0.02 1.03 -0.15 0.97 -0.40 0.00 0.00 176.91 178.33 2jtt h ILE 83 N 0.02 1.21 0.00 1.77 6.09 -0.09 -3.04 117.51 123.47 2jtt h ILE 83 Ca -0.06 -0.93 -0.21 0.00 -1.37 0.00 0.00 64.86 62.30 2jtt h ILE 83 Cb 1.83 1.24 -0.03 0.00 0.47 0.00 0.00 36.82 40.33 2jtt h ILE 83 CO 0.14 0.29 0.62 -1.22 -3.07 0.00 0.00 178.15 174.92 2jtt n TYR 84 N -4.23 0.39 0.09 2.19 4.01 -0.82 -4.77 117.16 114.03 2jtt n TYR 84 Ca -0.00 -1.32 0.05 0.00 -0.16 0.00 0.00 57.90 56.47 2jtt n TYR 84 Cb 0.30 -1.38 0.27 0.00 -0.31 0.00 0.00 39.34 38.23 2jtt n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jtt n ASN 85 N 2.99 0.26 0.22 7.72 2.85 -1.15 -1.07 115.26 127.08 2jtt n ASN 85 Ca 0.35 0.54 0.08 0.00 -0.11 0.00 0.00 54.58 55.45 2jtt n ASN 85 Cb 0.52 -0.55 0.52 0.00 1.24 0.00 0.00 39.78 41.51 2jtt n ASN 85 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2jtt h GLU 86 N 0.00 0.00 0.00 1.20 3.07 -1.90 -2.73 114.58 114.22 2jtt h GLU 86 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2jtt h GLU 86 Cb 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2jtt h GLU 86 CO 0.00 0.25 -0.09 0.00 -1.40 0.00 0.00 179.01 177.77 2jtt h ALA 87 N 1.75 1.75 -0.00 3.43 0.00 -1.44 -1.92 119.26 122.83 2jtt h ALA 87 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jtt h ALA 87 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jtt h ALA 87 CO 0.03 0.11 -0.05 1.28 0.00 0.00 0.00 179.25 180.62 2jtt n LEU 88 N -4.28 0.07 -0.01 0.00 7.99 -1.03 -3.90 117.00 115.84 2jtt n LEU 88 Ca -0.03 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 2jtt n LEU 88 Cb 0.17 -0.43 0.01 0.00 -0.11 0.00 0.00 43.42 43.05 2jtt n LEU 88 CO 0.34 0.02 0.44 0.29 -1.51 0.00 0.00 177.39 176.96 2jtt n LYS 89 N -1.45 2.17 0.00 3.23 5.02 -0.78 -5.16 118.16 121.19 2jtt n LYS 89 Ca 0.08 -1.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.07 2jtt n LYS 89 Cb 0.32 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29