#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 1.42 -0.34 3.04 0.00 -1.26 -5.05 120.51 118.33 2jtt n ALA 2 Ca 0.00 -0.15 0.20 0.00 0.00 0.00 0.00 53.44 53.49 2jtt n ALA 2 Cb 0.00 -0.04 0.39 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.23 0.49 0.00 4.64 -2.05 -0.34 113.55 116.06 2jtt h SER 3 Ca 0.00 0.27 -0.12 0.00 -0.47 0.00 0.00 61.79 61.48 2jtt h SER 3 Cb 1.04 0.42 -0.02 0.00 -0.31 0.00 0.00 62.40 63.53 2jtt h SER 3 CO 0.00 -0.38 -0.53 1.55 -0.87 0.00 0.00 176.83 176.60 2jtt h PRO 4 N 0.01 0.05 0.22 4.77 0.13 -2.01 -2.35 132.00 132.81 2jtt h PRO 4 Ca 0.68 -0.03 -0.34 0.00 -0.87 0.00 0.00 66.00 65.45 2jtt h PRO 4 Cb 1.56 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.71 2jtt h PRO 4 CO -0.88 0.57 -1.56 1.25 -0.23 0.00 0.00 178.00 177.15 2jtt h LEU 5 N 0.04 0.72 -1.18 1.56 5.85 -1.73 -3.37 115.31 117.20 2jtt h LEU 5 Ca -0.00 -0.86 0.08 0.00 0.84 0.00 0.00 57.88 57.93 2jtt h LEU 5 Cb 0.95 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 2jtt h LEU 5 CO 0.07 1.70 0.58 0.44 -0.34 0.00 0.00 178.44 180.88 2jtt h ASP 6 N 0.13 0.85 0.38 1.25 3.32 -0.98 0.55 116.42 121.92 2jtt h ASP 6 Ca -0.28 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 2jtt h ASP 6 Cb 2.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.50 2jtt h ASP 6 CO 0.23 0.53 -0.32 0.06 -1.72 0.00 0.00 179.24 178.03 2jtt h GLN 7 N 0.96 0.00 0.00 3.56 3.07 -1.61 0.20 115.11 121.29 2jtt h GLN 7 Ca 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.12 2jtt h GLN 7 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.83 2jtt h GLN 7 CO -0.15 0.32 -0.09 0.00 0.09 0.00 0.00 178.83 179.00 2jtt h ALA 8 N 1.68 0.02 0.00 0.06 0.00 -1.12 -2.27 119.26 117.62 2jtt h ALA 8 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2jtt h ALA 8 Cb 0.60 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jtt h ALA 8 CO 0.04 0.05 -0.22 -0.84 0.00 0.00 0.00 179.25 178.28 2jtt h ILE 9 N -1.00 0.81 0.00 0.00 3.07 -1.15 -1.51 117.51 117.73 2jtt h ILE 9 Ca -0.02 -0.89 -0.03 0.00 1.55 0.00 0.00 64.86 65.47 2jtt h ILE 9 Cb 0.99 1.53 -0.00 0.00 -0.27 0.00 0.00 36.82 39.07 2jtt h ILE 9 CO -0.01 0.22 -0.15 1.23 -1.05 0.00 0.00 178.15 178.38 2jtt h GLY 10 N 1.15 0.00 0.63 0.16 0.00 -1.06 -2.48 103.07 101.47 2jtt h GLY 10 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jtt h GLY 10 CO 0.03 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.54 2jtt h LEU 11 N 0.00 -0.08 -0.87 3.11 7.12 -0.65 -0.50 115.31 123.43 2jtt h LEU 11 Ca -0.00 -0.33 0.05 0.00 0.13 0.00 0.00 57.88 57.73 2jtt h LEU 11 Cb 0.76 0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.85 2jtt h LEU 11 CO 0.02 0.30 0.55 -0.07 -0.13 0.00 0.00 178.44 179.11 2jtt h LEU 12 N -0.46 0.88 -0.26 2.25 4.07 -1.46 0.24 115.31 120.56 2jtt h LEU 12 Ca -0.01 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2jtt h LEU 12 Cb 0.40 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2jtt h LEU 12 CO 0.02 0.58 0.03 0.40 -1.08 0.00 0.00 178.44 178.38 2jtt h ILE 13 N 1.02 1.24 -0.16 1.22 2.04 -1.44 -1.75 117.51 119.69 2jtt h ILE 13 Ca 0.37 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 2jtt h ILE 13 Cb 0.12 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2jtt h ILE 13 CO -0.16 0.26 -0.25 1.23 0.00 0.00 0.00 178.15 179.24 2jtt h GLY 14 N 0.25 0.31 0.50 5.37 0.00 -0.59 -2.16 103.07 106.75 2jtt h GLY 14 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2jtt h GLY 14 CO 0.01 0.21 -0.13 -2.22 0.00 0.00 0.00 176.54 174.41 2jtt h ILE 15 N 0.26 0.63 0.45 2.60 2.04 -0.98 -3.40 117.51 119.10 2jtt h ILE 15 Ca 0.04 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 2jtt h ILE 15 Cb 0.58 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2jtt h ILE 15 CO 0.04 0.14 -0.26 0.15 0.00 0.00 0.00 178.15 178.22 2jtt h PHE 16 N -0.88 -0.67 0.00 1.37 3.57 -1.08 -3.26 116.94 116.00 2jtt h PHE 16 Ca -0.04 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2jtt h PHE 16 Cb 0.51 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2jtt h PHE 16 CO 0.05 -0.40 -0.08 1.25 -2.23 0.00 0.00 178.31 176.90 2jtt h HIS 17 N -0.66 0.00 -0.64 0.41 2.76 -1.62 -2.02 115.15 113.38 2jtt h HIS 17 Ca -0.05 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.19 2jtt h HIS 17 Cb 0.53 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.43 2jtt h HIS 17 CO -0.08 0.08 0.32 0.87 -1.30 0.00 0.00 177.93 177.82 2jtt h LYS 18 N 0.00 0.56 0.15 5.26 1.57 -1.76 -2.73 116.57 119.63 2jtt h LYS 18 Ca -0.00 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.45 2jtt h LYS 18 Cb 0.40 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.59 2jtt h LYS 18 CO 0.01 0.37 -1.40 1.88 -0.57 0.00 0.00 179.45 179.75 2jtt h TYR 19 N 0.58 0.57 0.00 -1.35 0.05 -1.55 -3.33 116.97 111.94 2jtt h TYR 19 Ca 0.30 -0.42 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 2jtt h TYR 19 Cb 0.26 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 2jtt h TYR 19 CO -0.11 1.38 -0.03 0.77 -1.05 0.00 0.00 178.16 179.12 2jtt h SER 20 N 0.09 0.00 -0.43 3.88 0.02 -1.30 -1.23 113.55 114.58 2jtt h SER 20 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2jtt h SER 20 Cb 2.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.57 2jtt h SER 20 CO 0.20 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 2jtt n GLY 21 N -1.08 1.72 0.10 -3.77 0.00 -1.04 -3.84 105.19 97.28 2jtt n GLY 21 Ca -0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 2.67 -0.12 -4.06 1.61 3.64 -1.36 -3.41 116.57 115.54 2jtt h LYS 22 Ca 0.00 0.01 -0.77 0.00 -1.27 0.00 0.00 60.65 58.62 2jtt h LYS 22 Cb 0.97 0.03 -0.24 0.00 -0.41 0.00 0.00 32.23 32.57 2jtt h LYS 22 CO 0.13 0.41 0.01 -1.21 -2.27 0.00 0.00 179.45 176.51 2jtt s GLU 23 N -3.12 3.31 4.41 1.90 0.41 -1.26 -4.97 118.70 119.39 2jtt s GLU 23 Ca -0.13 -2.04 0.00 0.00 -0.41 0.00 0.00 54.97 52.39 2jtt s GLU 23 Cb -0.00 -4.39 0.00 0.00 -1.78 0.00 0.00 34.13 27.96 2jtt s GLU 23 CO 0.51 -1.35 0.00 0.41 -0.49 0.00 0.00 175.26 174.34 2jtt n GLY 24 N 4.66 1.01 2.91 -1.39 0.00 -1.26 -4.77 105.19 106.35 2jtt n GLY 24 Ca 0.01 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.00 0.08 0.14 1.61 2.15 -1.26 -4.46 116.67 110.92 2jtt s ASP 25 Ca 0.00 0.33 -0.25 0.00 0.43 0.00 0.00 52.55 53.06 2jtt s ASP 25 Cb 0.00 0.23 0.08 0.00 -0.30 0.00 0.00 42.92 42.93 2jtt s ASP 25 CO 0.00 -0.17 1.05 -1.59 -0.17 0.00 0.00 175.17 174.29 2jtt s LYS 26 N 1.46 1.10 -0.43 4.34 -2.85 -1.25 -5.03 119.74 117.08 2jtt s LYS 26 Ca -0.06 -0.66 0.04 0.00 -1.00 0.00 0.00 55.97 54.30 2jtt s LYS 26 Cb -0.12 0.34 0.65 0.00 -2.06 0.00 0.00 37.83 36.65 2jtt s LYS 26 CO -0.06 -0.51 1.87 -2.39 0.10 0.00 0.00 175.35 174.36 2jtt n HIS 27 N -0.58 2.86 -3.91 1.78 1.44 -1.26 -4.58 115.22 110.97 2jtt n HIS 27 Ca -0.05 -1.83 -0.10 0.00 -2.01 0.00 0.00 57.72 53.73 2jtt n HIS 27 Cb 0.60 -0.90 -0.10 0.00 0.12 0.00 0.00 29.99 29.72 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 -3.30 0.11 -0.09 0.61 2.01 -1.26 -1.78 115.64 111.95 2jtt s THR 28 Ca 0.56 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2jtt s THR 28 Cb 0.47 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 2jtt s THR 28 CO 0.10 -0.51 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.58 2jtt s LEU 29 N -1.78 2.50 0.83 4.42 1.43 -0.32 -4.47 118.68 121.29 2jtt s LEU 29 Ca -0.10 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 2jtt s LEU 29 Cb -0.05 -1.52 0.10 0.00 0.03 0.00 0.00 46.19 44.75 2jtt s LEU 29 CO -0.02 0.23 1.19 -0.94 0.23 0.00 0.00 176.35 177.05 2jtt s SER 30 N -0.07 4.29 0.14 2.29 1.04 -1.26 -0.35 113.70 119.77 2jtt s SER 30 Ca -0.04 0.75 -0.19 0.00 0.48 0.00 0.00 55.95 56.95 2jtt s SER 30 Cb -0.14 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2jtt s SER 30 CO 0.04 -2.04 1.70 0.11 0.98 0.00 0.00 173.24 174.03 2jtt h LYS 31 N -1.15 0.01 -0.15 4.02 1.57 -1.91 0.33 116.57 119.29 2jtt h LYS 31 Ca -0.46 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 2jtt h LYS 31 Cb 1.32 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 2jtt h LYS 31 CO 0.63 0.01 -0.46 1.57 -0.57 0.00 0.00 179.45 180.62 2jtt h LYS 32 N 0.01 0.37 -0.17 3.15 2.10 -1.95 -1.56 116.57 118.53 2jtt h LYS 32 Ca 0.12 -0.20 -0.11 0.00 -2.00 0.00 0.00 60.65 58.45 2jtt h LYS 32 Cb 0.18 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2jtt h LYS 32 CO -0.24 0.77 -0.37 1.49 -2.00 0.00 0.00 179.45 179.09 2jtt h GLU 33 N 0.30 0.37 -0.18 0.07 4.81 -1.84 -0.77 114.58 117.34 2jtt h GLU 33 Ca 0.02 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 2jtt h GLU 33 Cb 0.94 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 2jtt h GLU 33 CO 0.08 0.69 -0.31 1.25 -0.73 0.00 0.00 179.01 180.00 2jtt h LEU 34 N 0.31 0.58 -0.93 1.64 7.12 -0.87 -2.78 115.31 120.38 2jtt h LEU 34 Ca 0.03 -0.54 0.07 0.00 0.13 0.00 0.00 57.88 57.58 2jtt h LEU 34 Cb 0.80 -0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.70 2jtt h LEU 34 CO 0.06 1.00 0.59 0.50 -0.13 0.00 0.00 178.44 180.47 2jtt h LYS 35 N 0.17 1.02 0.00 1.25 3.11 -0.96 -1.13 116.57 120.04 2jtt h LYS 35 Ca 0.01 -0.06 0.02 0.00 -2.81 0.00 0.00 60.65 57.81 2jtt h LYS 35 Cb 0.89 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 2jtt h LYS 35 CO 0.07 0.67 -0.11 0.93 -2.81 0.00 0.00 179.45 178.20 2jtt h GLU 36 N 1.05 -0.18 -0.54 1.90 4.39 -1.18 -1.44 114.58 118.58 2jtt h GLU 36 Ca 0.42 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.23 2jtt h GLU 36 Cb 0.22 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.82 2jtt h GLU 36 CO -0.19 -0.12 0.01 1.25 -1.16 0.00 0.00 179.01 178.80 2jtt h LEU 37 N -0.19 -0.20 0.00 1.33 6.46 -1.02 0.48 115.31 122.18 2jtt h LEU 37 Ca 0.04 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2jtt h LEU 37 Cb 0.24 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2jtt h LEU 37 CO -0.11 -0.07 -0.00 0.40 -0.62 0.00 0.00 178.44 178.04 2jtt h ILE 38 N 0.13 1.19 0.00 4.05 2.04 -1.02 0.15 117.51 124.04 2jtt h ILE 38 Ca 0.27 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 2jtt h ILE 38 Cb 0.42 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2jtt h ILE 38 CO -0.44 0.14 -0.34 1.56 0.00 0.00 0.00 178.15 179.07 2jtt h GLN 39 N -0.24 0.00 0.01 2.37 1.08 -0.97 -1.03 115.11 116.33 2jtt h GLN 39 Ca -0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 2jtt h GLN 39 Cb 0.24 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2jtt h GLN 39 CO 0.00 0.34 -1.02 0.87 -0.95 0.00 0.00 178.83 178.07 2jtt h LYS 40 N 0.00 0.02 0.06 1.46 1.57 -0.88 -3.37 116.57 115.43 2jtt h LYS 40 Ca -0.00 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 2jtt h LYS 40 Cb 0.76 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2jtt h LYS 40 CO 0.04 1.02 -1.30 1.49 -0.57 0.00 0.00 179.45 180.13 2jtt h GLU 41 N -0.94 0.13 -0.86 3.15 4.57 -0.78 -3.39 114.58 116.48 2jtt h GLU 41 Ca -0.27 -0.23 -0.55 0.00 -1.18 0.00 0.00 59.36 57.13 2jtt h GLU 41 Cb 1.28 0.09 -0.29 0.00 -0.16 0.00 0.00 28.75 29.67 2jtt h GLU 41 CO -0.14 1.11 0.39 1.28 -1.18 0.00 0.00 179.01 180.47 2jtt n LEU 42 N -4.12 6.47 -4.67 1.64 4.77 -0.42 -5.04 117.00 115.64 2jtt n LEU 42 Ca -0.27 -4.14 -0.31 0.00 -0.03 0.00 0.00 56.01 51.25 2jtt n LEU 42 Cb 0.80 -0.79 0.17 0.00 -2.33 0.00 0.00 43.42 41.27 2jtt n LEU 42 CO 0.32 1.46 0.69 0.28 -1.33 0.00 0.00 177.39 178.81 2jtt s THR 43 N -4.21 2.02 0.04 -5.08 -1.32 -1.06 -4.77 115.64 101.25 2jtt s THR 43 Ca 0.58 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 61.10 2jtt s THR 43 Cb 0.47 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 69.39 2jtt s THR 43 CO 0.03 -0.01 -0.12 0.27 -2.21 0.00 0.00 174.62 172.58 2jtt s ILE 44 N -2.59 0.92 0.07 5.08 -0.00 -1.26 -5.09 121.20 118.33 2jtt s ILE 44 Ca 0.68 -0.97 -0.01 0.00 -0.00 0.00 0.00 60.65 60.35 2jtt s ILE 44 Cb -0.24 -0.86 -0.26 0.00 -0.00 0.00 0.00 42.46 41.10 2jtt s ILE 44 CO 0.57 -0.09 1.11 1.23 -0.00 0.00 0.00 174.94 177.76 2jtt h GLY 45 N 4.88 0.23 1.44 6.27 0.00 -1.99 -3.35 103.07 110.55 2jtt h GLY 45 Ca -0.37 -0.58 -0.26 0.00 0.00 0.00 0.00 47.33 46.12 2jtt h GLY 45 CO 0.43 0.51 -1.39 1.48 0.00 0.00 0.00 176.54 177.58 2jtt h SER 46 N 0.05 0.10 0.00 0.19 4.64 -2.05 -3.48 113.55 113.00 2jtt h SER 46 Ca -0.13 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2jtt h SER 46 Cb 1.94 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 2jtt h SER 46 CO 0.18 1.12 0.00 0.29 -0.87 0.00 0.00 176.83 177.55 2jtt n LYS 47 N -3.27 -1.66 0.26 4.77 5.02 -1.26 -4.84 118.16 117.18 2jtt n LYS 47 Ca -0.10 0.42 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 2jtt n LYS 47 Cb 1.01 -4.72 0.72 0.00 -0.02 0.00 0.00 35.03 32.02 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 -0.57 -0.35 3.38 -1.95 -2.68 115.31 113.14 2jtt h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jtt h LEU 48 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2jtt h LEU 48 CO 0.00 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 2jtt n GLN 49 N -3.68 1.35 0.25 1.13 6.02 -1.26 -4.27 117.38 116.93 2jtt n GLN 49 Ca -0.02 -0.53 0.13 0.00 -0.01 0.00 0.00 57.00 56.58 2jtt n GLN 49 Cb 0.23 -1.13 0.80 0.00 1.02 0.00 0.00 30.24 31.17 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 0.85 0.00 -0.11 1.08 3.58 -1.89 0.61 116.42 120.54 2jtt h ASP 50 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jtt h ASP 50 Cb 0.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2jtt h ASP 50 CO 0.00 0.00 0.07 0.00 -2.88 0.00 0.00 179.24 176.44 2jtt h ALA 51 N 1.95 1.92 0.05 -0.78 0.00 -1.86 0.54 119.26 121.07 2jtt h ALA 51 Ca 0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 2jtt h ALA 51 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jtt h ALA 51 CO -0.00 0.08 -1.12 0.93 0.00 0.00 0.00 179.25 179.14 2jtt h GLU 52 N 0.15 0.11 -0.45 0.00 3.07 -1.22 -3.18 114.58 113.05 2jtt h GLU 52 Ca 0.04 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 58.63 2jtt h GLU 52 Cb -0.02 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2jtt h GLU 52 CO -0.01 1.07 -0.07 0.82 -1.40 0.00 0.00 179.01 179.42 2jtt h ILE 53 N 0.03 1.27 -0.04 3.13 1.08 -0.73 0.13 117.51 122.38 2jtt h ILE 53 Ca -0.07 -1.17 -0.06 0.00 -0.39 0.00 0.00 64.86 63.17 2jtt h ILE 53 Cb 1.86 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2jtt h ILE 53 CO 0.16 0.40 -0.26 -0.37 -0.69 0.00 0.00 178.15 177.39 2jtt h VAL 54 N 0.67 1.20 0.03 1.67 -1.51 -1.06 0.84 116.25 118.09 2jtt h VAL 54 Ca 0.12 -0.96 -0.24 0.00 -1.23 0.00 0.00 66.70 64.38 2jtt h VAL 54 Cb 0.60 1.47 0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2jtt h VAL 54 CO 0.04 0.28 -1.02 0.50 -1.23 0.00 0.00 177.57 176.13 2jtt h LYS 55 N 0.06 0.45 -0.70 5.19 1.63 -1.49 -2.20 116.57 119.51 2jtt h LYS 55 Ca 0.01 -0.53 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 2jtt h LYS 55 Cb 0.49 0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 2jtt h LYS 55 CO 0.04 1.18 0.37 1.25 -3.45 0.00 0.00 179.45 178.83 2jtt h LEU 56 N 0.24 0.89 -1.17 5.20 5.85 -0.38 -0.16 115.31 125.77 2jtt h LEU 56 Ca -0.10 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2jtt h LEU 56 Cb 1.68 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 2jtt h LEU 56 CO 0.18 0.75 0.44 -0.03 -0.34 0.00 0.00 178.44 179.44 2jtt h MET 57 N 0.97 1.01 -0.04 1.25 4.05 -0.85 0.71 114.93 122.02 2jtt h MET 57 Ca 0.24 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.45 2jtt h MET 57 Cb 0.07 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 2jtt h MET 57 CO -0.04 0.71 -0.55 0.22 0.23 0.00 0.00 176.91 177.48 2jtt h ASP 58 N 1.02 0.12 0.46 1.39 3.58 -0.94 0.08 116.42 122.14 2jtt h ASP 58 Ca 0.27 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.49 2jtt h ASP 58 Cb -0.03 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2jtt h ASP 58 CO -0.05 0.65 -0.71 0.44 -2.88 0.00 0.00 179.24 176.69 2jtt h ASP 59 N 0.09 0.25 -0.34 2.28 3.32 -0.60 -2.17 116.42 119.25 2jtt h ASP 59 Ca -0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 2jtt h ASP 59 Cb 1.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2jtt h ASP 59 CO 0.08 0.88 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.31 2jtt h LEU 60 N 0.14 0.67 -1.49 1.55 3.38 -0.73 -3.11 115.31 115.72 2jtt h LEU 60 Ca -0.02 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jtt h LEU 60 Cb 1.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2jtt h LEU 60 CO 0.11 0.88 0.00 -0.78 0.09 0.00 0.00 178.44 178.74 2jtt h ASP 61 N 0.45 0.00 -0.43 -0.43 3.58 -0.97 -3.28 116.42 115.34 2jtt h ASP 61 Ca 0.08 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.66 2jtt h ASP 61 Cb 0.60 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2jtt h ASP 61 CO 0.04 0.00 0.39 -0.09 -2.88 0.00 0.00 179.24 176.69 2jtt h ARG 62 N 0.00 0.00 -0.03 0.28 9.65 -1.31 -0.94 114.38 122.03 2jtt h ARG 62 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2jtt h ARG 62 Cb 0.36 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2jtt h ARG 62 CO 0.00 0.00 -0.05 -0.91 2.80 0.00 0.00 179.97 181.81 2jtt h ASN 63 N 0.00 0.03 0.00 -3.80 4.21 -1.78 -3.46 115.58 110.78 2jtt h ASN 63 Ca 0.21 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 2jtt h ASN 63 Cb 0.98 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 2jtt h ASN 63 CO -0.00 0.09 0.00 0.29 -1.29 0.00 0.00 177.43 176.52 2jtt n LYS 64 N -4.46 0.00 -3.10 0.81 5.02 -0.36 -5.15 118.16 110.92 2jtt n LYS 64 Ca -0.02 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.30 2jtt n LYS 64 Cb 0.14 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.15 2jtt n LYS 64 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2jtt s ASP 65 N 1.17 -0.90 0.00 4.39 -4.77 -1.25 -4.99 116.67 110.31 2jtt s ASP 65 Ca 0.00 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.20 2jtt s ASP 65 Cb 0.00 1.45 0.00 0.00 -1.09 0.00 0.00 42.92 43.28 2jtt s ASP 65 CO 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 175.17 175.72 2jtt n GLN 66 N 4.89 0.00 -3.50 2.11 6.02 -1.26 -5.07 117.38 120.57 2jtt n GLN 66 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.91 2jtt n GLN 66 Cb 0.57 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.79 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 -0.40 1.11 -0.21 -1.09 4.04 -1.26 -2.91 118.70 117.98 2jtt s GLU 67 Ca 0.00 -0.02 0.00 0.00 0.04 0.00 0.00 54.97 54.99 2jtt s GLU 67 Cb 0.00 0.52 0.05 0.00 0.02 0.00 0.00 34.13 34.72 2jtt s GLU 67 CO 0.00 -0.40 -0.05 0.08 -1.84 0.00 0.00 175.26 173.05 2jtt s VAL 68 N -2.08 1.34 0.64 1.83 1.01 0.52 -4.62 120.40 119.04 2jtt s VAL 68 Ca -0.07 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 2jtt s VAL 68 Cb -0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2jtt s VAL 68 CO 0.02 -0.01 1.04 0.20 0.00 0.00 0.00 175.10 176.35 2jtt s ASN 69 N 1.50 6.05 0.24 3.32 0.02 -1.26 -1.18 114.94 123.63 2jtt s ASN 69 Ca -0.03 1.44 -0.06 0.00 -1.02 0.00 0.00 52.86 53.19 2jtt s ASN 69 Cb -0.17 -2.44 0.44 0.00 0.02 0.00 0.00 41.25 39.09 2jtt s ASN 69 CO -0.07 -0.99 1.68 0.15 0.02 0.00 0.00 177.10 177.89 2jtt h PHE 70 N -0.40 0.23 -0.47 2.20 3.57 -1.74 -0.22 116.94 120.10 2jtt h PHE 70 Ca -0.44 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.04 2jtt h PHE 70 Cb 1.20 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2jtt h PHE 70 CO 0.64 -0.10 0.03 0.37 -2.23 0.00 0.00 178.31 177.02 2jtt h GLN 71 N 0.24 0.77 -0.13 1.11 4.15 -1.94 -1.49 115.11 117.82 2jtt h GLN 71 Ca 0.40 -0.19 -0.16 0.00 0.77 0.00 0.00 58.65 59.48 2jtt h GLN 71 Cb 0.69 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2jtt h GLN 71 CO -0.52 0.76 -0.58 0.93 -1.93 0.00 0.00 178.83 177.49 2jtt h GLU 72 N 0.72 0.42 -0.32 1.69 4.39 -1.48 0.23 114.58 120.24 2jtt h GLU 72 Ca 0.15 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2jtt h GLU 72 Cb 0.40 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2jtt h GLU 72 CO 0.01 0.88 0.17 -0.92 -1.16 0.00 0.00 179.01 178.00 2jtt h TYR 73 N 0.32 0.44 -0.30 4.33 3.20 -0.93 -0.67 116.97 123.35 2jtt h TYR 73 Ca -0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 2jtt h TYR 73 Cb 1.11 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2jtt h TYR 73 CO 0.04 0.36 -0.23 0.82 -1.64 0.00 0.00 178.16 177.51 2jtt h ILE 74 N 0.39 1.27 -0.69 1.81 2.04 -1.13 -1.57 117.51 119.62 2jtt h ILE 74 Ca 0.11 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 2jtt h ILE 74 Cb 0.07 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2jtt h ILE 74 CO -0.02 0.41 0.40 0.74 0.00 0.00 0.00 178.15 179.69 2jtt h THR 75 N 0.52 1.20 -0.64 -0.27 2.02 -0.80 -0.16 112.91 114.78 2jtt h THR 75 Ca 0.08 -0.48 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 2jtt h THR 75 Cb 0.67 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2jtt h THR 75 CO 0.05 0.22 0.05 0.15 0.37 0.00 0.00 175.52 176.36 2jtt h PHE 76 N 0.94 1.18 0.00 3.16 3.04 -0.92 -2.37 116.94 121.96 2jtt h PHE 76 Ca 0.25 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2jtt h PHE 76 Cb -0.00 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.19 2jtt h PHE 76 CO -0.01 1.01 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.15 2jtt h LEU 77 N 1.01 0.00 -0.44 0.59 3.38 -0.76 0.82 115.31 119.90 2jtt h LEU 77 Ca 0.19 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 2jtt h LEU 77 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jtt h LEU 77 CO 0.02 0.07 -0.62 1.23 0.09 0.00 0.00 178.44 179.23 2jtt h GLY 78 N 0.82 0.61 1.07 0.83 0.00 -0.59 0.03 103.07 105.84 2jtt h GLY 78 Ca -0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 47.33 46.43 2jtt h GLY 78 CO 0.01 0.68 -0.27 0.00 0.00 0.00 0.00 176.54 176.96 2jtt h ALA 79 N 0.91 0.58 -0.84 3.60 0.00 -0.79 -2.53 119.26 120.18 2jtt h ALA 79 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2jtt h ALA 79 Cb 1.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2jtt h ALA 79 CO 0.12 0.60 0.43 1.25 0.00 0.00 0.00 179.25 181.65 2jtt h LEU 80 N 0.72 1.08 -1.71 0.00 5.85 -0.83 -1.58 115.31 118.83 2jtt h LEU 80 Ca 0.08 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2jtt h LEU 80 Cb 0.84 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2jtt h LEU 80 CO 0.07 0.89 0.20 0.00 -0.34 0.00 0.00 178.44 179.26 2jtt h ALA 81 N 1.28 1.79 0.00 1.25 0.00 -0.91 -2.31 119.26 120.36 2jtt h ALA 81 Ca 0.29 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2jtt h ALA 81 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jtt h ALA 81 CO -0.04 0.19 -0.26 1.98 0.00 0.00 0.00 179.25 181.12 2jtt h MET 82 N 0.40 0.00 0.00 0.00 1.85 -0.86 -2.96 114.93 113.35 2jtt h MET 82 Ca 0.11 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2jtt h MET 82 Cb -0.04 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 2jtt h MET 82 CO -0.02 0.26 -0.09 0.82 -0.40 0.00 0.00 176.91 177.47 2jtt h ILE 83 N 0.00 1.00 0.00 1.77 1.08 -0.87 -3.10 117.51 117.39 2jtt h ILE 83 Ca -0.00 -0.31 -0.41 0.00 -0.39 0.00 0.00 64.86 63.74 2jtt h ILE 83 Cb 0.91 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 2jtt h ILE 83 CO 0.03 0.09 2.31 -1.22 -0.69 0.00 0.00 178.15 178.67 2jtt n TYR 84 N -4.34 1.36 -0.09 1.37 4.01 -1.12 -4.76 117.16 113.59 2jtt n TYR 84 Ca -0.03 -2.13 0.26 0.00 -0.16 0.00 0.00 57.90 55.85 2jtt n TYR 84 Cb 0.17 -1.85 0.71 0.00 -0.31 0.00 0.00 39.34 38.06 2jtt n TYR 84 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2jtt h ASN 85 N 5.21 0.00 -0.20 7.72 4.21 -1.79 -0.65 115.58 130.07 2jtt h ASN 85 Ca 0.53 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.98 2jtt h ASN 85 Cb 0.46 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2jtt h ASN 85 CO 1.26 0.00 -0.12 -0.33 -1.29 0.00 0.00 177.43 176.95 2jtt h GLU 86 N 0.00 0.44 -0.16 0.81 4.39 -1.91 -2.52 114.58 115.63 2jtt h GLU 86 Ca 0.35 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 2jtt h GLU 86 Cb 1.60 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 2jtt h GLU 86 CO -0.00 0.74 -0.26 0.00 -1.16 0.00 0.00 179.01 178.33 2jtt h ALA 87 N 0.69 1.27 0.00 3.43 0.00 -1.54 -0.90 119.26 122.20 2jtt h ALA 87 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jtt h ALA 87 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jtt h ALA 87 CO 0.03 0.49 0.00 -0.11 0.00 0.00 0.00 179.25 179.66 2jtt n LEU 88 N -4.15 0.00 -0.02 0.00 -0.00 -0.66 -3.95 117.00 108.23 2jtt n LEU 88 Ca -0.01 0.27 -0.03 0.00 -0.00 0.00 0.00 56.01 56.24 2jtt n LEU 88 Cb 0.38 -0.27 -0.01 0.00 -0.00 0.00 0.00 43.42 43.51 2jtt n LEU 88 CO 0.40 -0.11 -0.62 1.17 -0.00 0.00 0.00 177.39 178.24 2jtt n LYS 89 N -1.27 0.08 -0.58 1.96 4.81 -0.89 -5.03 118.16 117.24 2jtt n LYS 89 Ca 0.09 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2jtt n LYS 89 Cb 0.14 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.29 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98