#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 0.57 -0.33 3.04 0.00 -1.26 -5.04 120.51 117.49 2jtt n ALA 2 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2jtt n ALA 2 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 2jtt n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jtt n SER 3 N 0.00 -0.20 -0.22 0.00 7.64 -1.26 -1.12 113.62 118.45 2jtt n SER 3 Ca 0.00 1.62 -0.08 0.00 1.01 0.00 0.00 58.87 61.43 2jtt n SER 3 Cb 0.39 -0.55 0.05 0.00 -1.01 0.00 0.00 64.21 63.09 2jtt n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2jtt h PRO 4 N 0.00 1.08 0.20 1.43 0.11 -2.00 -0.77 132.00 132.05 2jtt h PRO 4 Ca 0.53 -0.30 -0.33 0.00 0.11 0.00 0.00 66.00 66.02 2jtt h PRO 4 Cb 1.00 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 32.00 2jtt h PRO 4 CO -0.93 1.00 -1.50 1.25 -0.21 0.00 0.00 178.00 177.61 2jtt h LEU 5 N 1.01 0.67 -1.27 2.35 5.85 -1.91 -3.34 115.31 118.66 2jtt h LEU 5 Ca 0.19 -0.79 0.05 0.00 0.84 0.00 0.00 57.88 58.17 2jtt h LEU 5 Cb 0.47 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2jtt h LEU 5 CO 0.02 1.63 0.52 -0.78 -0.34 0.00 0.00 178.44 179.49 2jtt h ASP 6 N 0.12 0.80 0.53 1.25 3.58 -0.93 -0.67 116.42 121.09 2jtt h ASP 6 Ca -0.25 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.07 2jtt h ASP 6 Cb 2.11 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.96 2jtt h ASP 6 CO 0.23 0.54 -0.57 0.06 -2.88 0.00 0.00 179.24 176.62 2jtt h GLN 7 N 0.92 0.04 -0.02 0.28 3.07 -1.31 -0.86 115.11 117.23 2jtt h GLN 7 Ca 0.33 -0.03 -0.15 0.00 0.09 0.00 0.00 58.65 58.89 2jtt h GLN 7 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.70 2jtt h GLN 7 CO -0.10 0.60 -0.55 0.00 0.09 0.00 0.00 178.83 178.86 2jtt h ALA 8 N 1.39 0.10 -0.43 0.06 0.00 -1.35 -2.07 119.26 116.96 2jtt h ALA 8 Ca -0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2jtt h ALA 8 Cb 1.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2jtt h ALA 8 CO 0.08 0.34 0.02 -0.84 0.00 0.00 0.00 179.25 178.84 2jtt h ILE 9 N -0.08 1.22 -0.08 0.00 3.07 -1.24 -2.44 117.51 117.96 2jtt h ILE 9 Ca -0.06 -0.90 0.02 0.00 1.55 0.00 0.00 64.86 65.47 2jtt h ILE 9 Cb 1.25 0.87 -0.00 0.00 -0.27 0.00 0.00 36.82 38.67 2jtt h ILE 9 CO 0.11 0.32 0.06 1.23 -1.05 0.00 0.00 178.15 178.82 2jtt h GLY 10 N 0.93 0.00 0.73 0.16 0.00 -1.13 -1.23 103.07 102.54 2jtt h GLY 10 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2jtt h GLY 10 CO 0.01 0.00 -0.20 -2.00 0.00 0.00 0.00 176.54 174.35 2jtt h LEU 11 N 0.00 -0.48 -0.82 3.11 7.12 -0.86 -1.48 115.31 121.91 2jtt h LEU 11 Ca 0.04 -0.10 0.05 0.00 0.13 0.00 0.00 57.88 58.00 2jtt h LEU 11 Cb 0.16 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.35 2jtt h LEU 11 CO -0.00 -0.14 0.50 -0.07 -0.13 0.00 0.00 178.44 178.60 2jtt h LEU 12 N -0.84 0.80 -0.37 2.25 4.07 -1.43 -0.17 115.31 119.62 2jtt h LEU 12 Ca -0.06 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 2jtt h LEU 12 Cb 0.55 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2jtt h LEU 12 CO 0.09 0.52 0.16 0.40 -1.08 0.00 0.00 178.44 178.53 2jtt h ILE 13 N 0.94 1.18 -0.16 1.22 2.04 -1.24 -1.53 117.51 119.96 2jtt h ILE 13 Ca 0.35 -0.54 -0.17 0.00 1.00 0.00 0.00 64.86 65.50 2jtt h ILE 13 Cb 0.13 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2jtt h ILE 13 CO -0.16 0.20 -0.59 1.23 0.00 0.00 0.00 178.15 178.83 2jtt h GLY 14 N 0.45 0.58 0.98 5.37 0.00 -0.85 0.15 103.07 109.75 2jtt h GLY 14 Ca 0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 2jtt h GLY 14 CO -0.01 0.63 0.20 -2.22 0.00 0.00 0.00 176.54 175.13 2jtt h ILE 15 N 0.40 1.22 0.23 2.60 2.04 -1.00 -3.16 117.51 119.84 2jtt h ILE 15 Ca -0.00 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2jtt h ILE 15 Cb 1.14 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2jtt h ILE 15 CO 0.11 0.27 -0.11 0.15 0.00 0.00 0.00 178.15 178.57 2jtt h PHE 16 N 0.72 -0.29 0.00 1.37 3.04 -1.13 -3.38 116.94 117.28 2jtt h PHE 16 Ca 0.18 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 2jtt h PHE 16 Cb 0.23 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 2jtt h PHE 16 CO 0.01 0.08 -0.16 1.25 -2.02 0.00 0.00 178.31 177.48 2jtt h HIS 17 N -0.91 0.00 0.00 0.41 2.76 -1.07 -2.55 115.15 113.79 2jtt h HIS 17 Ca -0.03 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.04 2jtt h HIS 17 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2jtt h HIS 17 CO 0.06 0.16 -0.46 1.57 -1.30 0.00 0.00 177.93 177.95 2jtt h LYS 18 N 0.00 0.00 0.00 5.26 2.10 -1.72 -3.03 116.57 119.19 2jtt h LYS 18 Ca -0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2jtt h LYS 18 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 2jtt h LYS 18 CO 0.02 0.46 -0.44 1.88 -2.00 0.00 0.00 179.45 179.37 2jtt h TYR 19 N 0.00 0.00 0.00 0.07 0.05 -1.64 -3.36 116.97 112.09 2jtt h TYR 19 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jtt h TYR 19 Cb 0.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 2jtt h TYR 19 CO 0.00 0.26 0.00 0.77 -1.05 0.00 0.00 178.16 178.14 2jtt h SER 20 N 0.00 0.00 -0.05 3.88 0.02 -1.46 -2.08 113.55 113.86 2jtt h SER 20 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2jtt h SER 20 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2jtt h SER 20 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 2jtt n GLY 21 N -1.08 0.33 0.15 -3.77 0.00 -1.26 -4.09 105.19 95.47 2jtt n GLY 21 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 2jtt n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtt h LYS 22 N 2.96 0.44 0.00 1.61 1.79 -1.63 -3.46 116.57 118.29 2jtt h LYS 22 Ca 0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2jtt h LYS 22 Cb 0.63 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2jtt h LYS 22 CO 0.00 0.85 0.00 -0.85 -1.08 0.00 0.00 179.45 178.37 2jtt n GLU 23 N -4.44 0.00 -0.17 3.15 0.28 -1.26 -5.16 120.64 113.03 2jtt n GLU 23 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 2jtt n GLU 23 Cb 0.43 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.30 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jtt n GLY 24 N -0.17 -0.54 3.76 -1.84 0.00 -1.26 -5.07 105.19 100.07 2jtt n GLY 24 Ca 0.00 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 2jtt n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jtt s ASP 25 N -1.00 5.54 0.62 1.61 2.15 -1.26 -4.77 116.67 119.57 2jtt s ASP 25 Ca 0.00 2.42 0.27 0.00 0.43 0.00 0.00 52.55 55.68 2jtt s ASP 25 Cb 0.00 -2.61 1.40 0.00 -0.30 0.00 0.00 42.92 41.41 2jtt s ASP 25 CO 0.00 -1.36 1.81 0.50 -0.17 0.00 0.00 175.17 175.95 2jtt h LYS 26 N 1.38 0.00 0.00 4.34 3.64 -1.98 -2.07 116.57 121.88 2jtt h LYS 26 Ca -0.50 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2jtt h LYS 26 Cb 1.28 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 2jtt h LYS 26 CO 0.57 0.00 -0.32 0.72 -2.27 0.00 0.00 179.45 178.16 2jtt n HIS 27 N -3.29 0.00 -4.56 1.91 8.25 -1.26 -4.74 115.22 111.52 2jtt n HIS 27 Ca 0.05 -0.74 -0.26 0.00 -0.26 0.00 0.00 57.72 56.50 2jtt n HIS 27 Cb 0.64 -0.14 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 2jtt n HIS 27 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2jtt s THR 28 N -1.85 1.01 -0.04 1.59 -1.32 -0.78 -3.68 115.64 110.58 2jtt s THR 28 Ca 0.24 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.73 2jtt s THR 28 Cb 0.22 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.75 2jtt s THR 28 CO -0.01 0.00 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.59 2jtt s LEU 29 N -3.65 1.40 0.51 9.08 1.43 -0.23 -4.29 118.68 122.93 2jtt s LEU 29 Ca 0.24 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 2jtt s LEU 29 Cb 0.05 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.77 2jtt s LEU 29 CO 0.12 -0.04 1.02 -0.55 0.23 0.00 0.00 176.35 177.13 2jtt s SER 30 N 0.79 6.36 0.46 2.29 0.15 -1.26 -0.22 113.70 122.27 2jtt s SER 30 Ca -0.10 1.77 0.13 0.00 0.70 0.00 0.00 55.95 58.45 2jtt s SER 30 Cb -0.13 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.72 2jtt s SER 30 CO 0.00 -0.77 2.06 0.07 1.20 0.00 0.00 173.24 175.80 2jtt h LYS 31 N 1.16 0.29 -0.21 5.44 2.10 -1.73 0.14 116.57 123.76 2jtt h LYS 31 Ca -0.48 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.10 2jtt h LYS 31 Cb 1.20 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2jtt h LYS 31 CO 0.59 0.19 -0.05 -0.22 -2.00 0.00 0.00 179.45 177.96 2jtt h LYS 32 N 0.30 0.40 -0.44 0.07 3.64 -1.93 -2.23 116.57 116.37 2jtt h LYS 32 Ca 0.15 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2jtt h LYS 32 Cb 0.22 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2jtt h LYS 32 CO -0.03 0.65 0.05 1.49 -2.27 0.00 0.00 179.45 179.34 2jtt h GLU 33 N 0.13 0.69 -0.41 1.90 4.81 -1.50 -0.98 114.58 119.23 2jtt h GLU 33 Ca 0.05 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2jtt h GLU 33 Cb 0.51 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jtt h GLU 33 CO 0.02 0.67 -0.05 1.25 -0.73 0.00 0.00 179.01 180.18 2jtt h LEU 34 N 0.66 0.75 -1.06 1.64 7.12 -0.85 -1.97 115.31 121.61 2jtt h LEU 34 Ca 0.14 -0.34 0.02 0.00 0.13 0.00 0.00 57.88 57.84 2jtt h LEU 34 Cb 0.34 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.21 2jtt h LEU 34 CO 0.01 0.91 0.64 0.50 -0.13 0.00 0.00 178.44 180.37 2jtt h LYS 35 N 0.58 1.23 -0.56 1.25 3.64 -0.70 0.43 116.57 122.42 2jtt h LYS 35 Ca 0.11 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2jtt h LYS 35 Cb 0.56 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2jtt h LYS 35 CO 0.03 0.81 0.31 0.93 -2.27 0.00 0.00 179.45 179.27 2jtt h GLU 36 N 1.27 0.78 0.21 1.90 4.39 -1.10 -0.61 114.58 121.42 2jtt h GLU 36 Ca 0.37 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.99 2jtt h GLU 36 Cb -0.08 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.39 2jtt h GLU 36 CO -0.10 0.60 -0.32 1.25 -1.16 0.00 0.00 179.01 179.28 2jtt h LEU 37 N 0.76 -0.91 -0.37 1.33 6.46 -0.81 -2.59 115.31 119.18 2jtt h LEU 37 Ca 0.20 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2jtt h LEU 37 Cb 0.04 0.33 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2jtt h LEU 37 CO -0.03 -0.43 0.22 0.40 -0.62 0.00 0.00 178.44 177.98 2jtt h ILE 38 N -0.61 1.13 0.00 4.05 2.04 -0.65 0.15 117.51 123.62 2jtt h ILE 38 Ca 0.01 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2jtt h ILE 38 Cb 0.59 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2jtt h ILE 38 CO -0.13 0.13 -0.07 1.56 0.00 0.00 0.00 178.15 179.64 2jtt h GLN 39 N 0.48 0.00 0.07 2.37 1.08 -1.14 0.37 115.11 118.34 2jtt h GLN 39 Ca 0.13 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.07 2jtt h GLN 39 Cb 0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2jtt h GLN 39 CO -0.02 0.07 -1.42 0.87 -0.95 0.00 0.00 178.83 177.37 2jtt h LYS 40 N 0.00 0.15 0.04 1.46 1.57 -1.20 -3.31 116.57 115.28 2jtt h LYS 40 Ca -0.00 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2jtt h LYS 40 Cb 0.74 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2jtt h LYS 40 CO 0.01 1.13 -0.48 0.93 -0.57 0.00 0.00 179.45 180.47 2jtt h GLU 41 N -0.49 0.08 0.00 3.15 4.39 -0.73 -3.40 114.58 117.58 2jtt h GLU 41 Ca -0.33 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2jtt h GLU 41 Cb 1.63 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2jtt h GLU 41 CO -0.03 1.07 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.73 2jtt h LEU 42 N -0.81 0.00 -0.21 1.33 -0.00 -1.30 -3.51 115.31 110.82 2jtt h LEU 42 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2jtt h LEU 42 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2jtt h LEU 42 CO 0.00 0.32 -0.19 1.07 -0.00 0.00 0.00 178.44 179.65 2jtt n THR 43 N -3.55 -1.91 0.02 0.22 5.66 -0.03 -5.01 114.28 109.68 2jtt n THR 43 Ca -0.01 0.51 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 2jtt n THR 43 Cb 0.05 -0.74 -0.00 0.00 -1.55 0.00 0.00 70.33 68.08 2jtt n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jtt n ILE 44 N -0.94 0.00 -4.45 1.09 3.06 -1.26 -5.01 119.36 111.86 2jtt n ILE 44 Ca 0.00 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.76 2jtt n ILE 44 Cb 0.00 1.00 0.00 0.00 0.54 0.00 0.00 39.64 41.18 2jtt n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2jtt n GLY 45 N 0.83 1.27 0.00 4.50 0.00 -1.26 -3.30 105.19 107.24 2jtt n GLY 45 Ca 0.00 -0.72 0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 1.98 0.00 -4.77 1.61 3.41 -1.26 -4.94 113.62 109.66 2jtt n SER 46 Ca 0.00 -0.77 -0.40 0.00 -0.26 0.00 0.00 58.87 57.44 2jtt n SER 46 Cb 0.00 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 2jtt n SER 46 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jtt s LYS 47 N -2.12 3.83 0.10 4.33 2.47 -1.21 -4.92 119.74 122.22 2jtt s LYS 47 Ca 0.42 2.35 0.14 0.00 -1.56 0.00 0.00 55.97 57.32 2jtt s LYS 47 Cb 0.20 -2.73 0.62 0.00 -1.46 0.00 0.00 37.83 34.47 2jtt s LYS 47 CO 0.37 -0.68 1.43 1.28 0.16 0.00 0.00 175.35 177.91 2jtt n LEU 48 N -0.01 0.23 0.00 5.43 4.77 -1.26 -2.90 117.00 123.26 2jtt n LEU 48 Ca 0.04 0.58 0.01 0.00 -0.03 0.00 0.00 56.01 56.61 2jtt n LEU 48 Cb 0.42 -0.57 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 2jtt n LEU 48 CO 0.58 -0.49 0.55 0.00 -1.33 0.00 0.00 177.39 176.71 2jtt n GLN 49 N -1.77 0.00 0.25 3.23 1.13 -1.26 -2.06 117.38 116.89 2jtt n GLN 49 Ca 0.02 0.45 0.14 0.00 -1.94 0.00 0.00 57.00 55.67 2jtt n GLN 49 Cb 0.12 -1.51 0.82 0.00 0.11 0.00 0.00 30.24 29.78 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 0.00 0.16 1.08 3.58 -1.90 0.34 116.42 119.67 2jtt h ASP 50 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2jtt h ASP 50 Cb 0.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2jtt h ASP 50 CO 0.00 0.00 -0.12 0.00 -2.88 0.00 0.00 179.24 176.24 2jtt h ALA 51 N 1.92 1.67 0.07 -0.78 0.00 -1.72 0.50 119.26 120.91 2jtt h ALA 51 Ca 0.04 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2jtt h ALA 51 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jtt h ALA 51 CO -0.00 0.15 -1.28 0.93 0.00 0.00 0.00 179.25 179.05 2jtt h GLU 52 N 0.00 0.16 -0.59 0.00 4.39 -1.18 -3.21 114.58 114.15 2jtt h GLU 52 Ca -0.00 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.38 2jtt h GLU 52 Cb 0.23 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2jtt h GLU 52 CO 0.02 1.06 0.17 0.82 -1.16 0.00 0.00 179.01 179.92 2jtt h ILE 53 N 0.04 1.24 0.00 3.13 1.08 -0.51 0.84 117.51 123.34 2jtt h ILE 53 Ca -0.13 -0.84 -0.03 0.00 -0.39 0.00 0.00 64.86 63.47 2jtt h ILE 53 Cb 1.92 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 36.35 2jtt h ILE 53 CO 0.16 0.32 -0.14 -0.37 -0.69 0.00 0.00 178.15 177.42 2jtt h VAL 54 N 0.83 0.59 0.11 1.67 -1.51 -1.05 -0.55 116.25 116.33 2jtt h VAL 54 Ca 0.19 -0.64 -0.26 0.00 -1.23 0.00 0.00 66.70 64.75 2jtt h VAL 54 Cb 0.30 1.41 0.01 0.00 -2.13 0.00 0.00 31.29 30.88 2jtt h VAL 54 CO -0.00 0.14 -1.18 0.50 -1.23 0.00 0.00 177.57 175.79 2jtt h LYS 55 N 0.00 0.31 -0.65 5.19 1.63 -1.44 -3.20 116.57 118.41 2jtt h LYS 55 Ca -0.00 -0.47 -0.08 0.00 -0.85 0.00 0.00 60.65 59.25 2jtt h LYS 55 Cb 0.40 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 2jtt h LYS 55 CO 0.02 1.20 0.10 1.25 -3.45 0.00 0.00 179.45 178.57 2jtt h LEU 56 N 0.11 1.02 -1.58 5.20 6.46 -0.13 0.60 115.31 126.99 2jtt h LEU 56 Ca -0.13 -0.24 -0.05 0.00 -0.12 0.00 0.00 57.88 57.35 2jtt h LEU 56 Cb 1.89 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 41.54 2jtt h LEU 56 CO 0.20 1.01 -0.23 0.00 -0.62 0.00 0.00 178.44 178.80 2jtt h MET 57 N 1.00 0.00 0.00 1.25 -0.00 -1.24 -0.74 114.93 115.19 2jtt h MET 57 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.80 2jtt h MET 57 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.02 2jtt h MET 57 CO 0.01 0.23 -0.46 0.22 -0.00 0.00 0.00 176.91 176.90 2jtt h ASP 58 N 0.00 0.00 0.07 -0.10 3.58 -1.42 -2.60 116.42 115.95 2jtt h ASP 58 Ca -0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 2jtt h ASP 58 Cb 0.47 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.53 2jtt h ASP 58 CO 0.03 0.46 -0.84 0.44 -2.88 0.00 0.00 179.24 176.46 2jtt h ASP 59 N 0.00 0.75 -0.68 2.28 3.32 -0.08 -0.72 116.42 121.29 2jtt h ASP 59 Ca -0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 2jtt h ASP 59 Cb 1.26 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 2jtt h ASP 59 CO 0.06 1.31 0.32 -0.07 -1.72 0.00 0.00 179.24 179.14 2jtt h LEU 60 N 0.40 0.91 -0.01 1.55 3.38 -1.22 -2.44 115.31 117.87 2jtt h LEU 60 Ca -0.06 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2jtt h LEU 60 Cb 1.46 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jtt h LEU 60 CO 0.16 0.78 -0.01 -0.67 0.09 0.00 0.00 178.44 178.79 2jtt n ASP 61 N -4.32 0.03 0.20 -0.43 2.03 -0.98 -4.07 116.55 109.00 2jtt n ASP 61 Ca 0.07 -0.01 0.05 0.00 0.52 0.00 0.00 54.79 55.41 2jtt n ASP 61 Cb 0.14 -0.32 0.40 0.00 -0.72 0.00 0.00 41.12 40.63 2jtt n ASP 61 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2jtt h ARG 62 N 0.03 0.00 0.00 -0.67 1.12 -0.61 -0.59 114.38 113.66 2jtt h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2jtt h ARG 62 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 2jtt h ARG 62 CO 0.00 0.35 0.00 -0.97 -3.11 0.00 0.00 179.97 176.24 2jtt h ASN 63 N 0.00 0.00 0.00 -3.80 -0.73 -1.73 -3.47 115.58 105.85 2jtt h ASN 63 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2jtt h ASN 63 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.28 2jtt h ASN 63 CO 0.05 0.00 0.00 0.29 -0.37 0.00 0.00 177.43 177.40 2jtt n LYS 64 N -2.31 3.37 0.00 6.67 4.76 -0.23 -5.13 118.16 125.30 2jtt n LYS 64 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2jtt n LYS 64 Cb 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jtt n ASP 65 N 0.00 0.00 0.00 4.39 2.03 -1.24 -5.01 116.55 116.73 2jtt n ASP 65 Ca 0.00 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.31 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 1.67 -1.92 0.00 0.00 177.20 176.95 2jtt n GLN 66 N 0.00 0.00 -3.81 -0.67 7.27 -1.26 -5.15 117.38 113.76 2jtt n GLN 66 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 2jtt n GLN 66 Cb 0.28 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.83 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2jtt s GLU 67 N 0.00 0.52 -0.10 3.69 -1.05 -1.26 -2.04 118.70 118.47 2jtt s GLU 67 Ca 0.00 -0.16 0.03 0.00 -0.15 0.00 0.00 54.97 54.69 2jtt s GLU 67 Cb 0.00 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.93 2jtt s GLU 67 CO 0.00 -0.13 -0.20 0.54 0.95 0.00 0.00 175.26 176.43 2jtt s VAL 68 N -1.05 1.76 0.57 1.83 0.11 0.69 -4.84 120.40 119.47 2jtt s VAL 68 Ca -0.11 -0.83 -0.14 0.00 -2.93 0.00 0.00 61.98 57.97 2jtt s VAL 68 Cb -0.05 -1.55 -0.06 0.00 -1.53 0.00 0.00 36.38 33.19 2jtt s VAL 68 CO 0.02 0.49 1.01 0.21 -3.33 0.00 0.00 175.10 173.51 2jtt s ASN 69 N 0.57 6.34 0.31 3.54 3.84 -1.26 -1.07 114.94 127.21 2jtt s ASN 69 Ca -0.15 1.53 0.07 0.00 0.21 0.00 0.00 52.86 54.53 2jtt s ASN 69 Cb -0.17 -2.49 0.83 0.00 -0.55 0.00 0.00 41.25 38.87 2jtt s ASN 69 CO 0.05 -0.79 1.72 0.15 -2.79 0.00 0.00 177.10 175.44 2jtt h PHE 70 N 0.31 0.89 -0.44 0.43 3.57 -1.93 -1.00 116.94 118.77 2jtt h PHE 70 Ca -0.46 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 60.97 2jtt h PHE 70 Cb 1.19 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2jtt h PHE 70 CO 0.64 0.03 -0.18 0.37 -2.23 0.00 0.00 178.31 176.94 2jtt h GLN 71 N 0.52 0.85 -0.05 1.11 4.15 -1.94 -0.32 115.11 119.44 2jtt h GLN 71 Ca 0.61 -0.33 -0.18 0.00 0.77 0.00 0.00 58.65 59.53 2jtt h GLN 71 Cb 1.16 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 2jtt h GLN 71 CO -0.49 0.96 -0.75 0.93 -1.93 0.00 0.00 178.83 177.56 2jtt h GLU 72 N 0.75 0.29 -0.93 1.69 3.07 -1.75 -1.76 114.58 115.95 2jtt h GLU 72 Ca 0.11 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2jtt h GLU 72 Cb 0.70 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.62 2jtt h GLU 72 CO 0.05 0.91 0.54 -0.92 -1.40 0.00 0.00 179.01 178.19 2jtt h TYR 73 N 0.19 1.24 -0.15 4.33 3.20 -0.98 -0.27 116.97 124.52 2jtt h TYR 73 Ca -0.03 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2jtt h TYR 73 Cb 1.32 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2jtt h TYR 73 CO 0.03 0.83 0.05 0.82 -1.64 0.00 0.00 178.16 178.25 2jtt h ILE 74 N 1.28 1.17 -0.97 1.81 1.08 -0.92 -1.43 117.51 119.53 2jtt h ILE 74 Ca 0.33 -0.52 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 2jtt h ILE 74 Cb -0.03 1.24 -0.06 0.00 -3.07 0.00 0.00 36.82 34.90 2jtt h ILE 74 CO -0.06 0.16 0.63 0.74 -0.69 0.00 0.00 178.15 178.93 2jtt h THR 75 N 0.06 1.14 -0.52 -0.27 2.02 -1.08 0.16 112.91 114.43 2jtt h THR 75 Ca 0.05 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 2jtt h THR 75 Cb 0.20 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 2jtt h THR 75 CO -0.00 0.22 -0.14 0.15 0.37 0.00 0.00 175.52 176.12 2jtt h PHE 76 N 1.19 1.12 0.00 3.16 3.04 -0.98 -1.48 116.94 122.99 2jtt h PHE 76 Ca 0.40 -0.24 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 2jtt h PHE 76 Cb 0.06 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2jtt h PHE 76 CO -0.00 1.06 -0.22 -0.07 -2.02 0.00 0.00 178.31 177.05 2jtt h LEU 77 N 0.88 0.00 -1.04 0.59 3.38 -0.63 0.75 115.31 119.25 2jtt h LEU 77 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2jtt h LEU 77 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2jtt h LEU 77 CO 0.05 0.22 -0.24 1.23 0.09 0.00 0.00 178.44 179.80 2jtt h GLY 78 N 0.97 0.43 0.53 0.83 0.00 -0.48 0.20 103.07 105.55 2jtt h GLY 78 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2jtt h GLY 78 CO 0.03 0.31 -0.01 0.00 0.00 0.00 0.00 176.54 176.87 2jtt h ALA 79 N 1.39 0.01 -0.71 3.60 0.00 -0.44 -2.99 119.26 120.11 2jtt h ALA 79 Ca 0.06 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2jtt h ALA 79 Cb 0.62 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2jtt h ALA 79 CO 0.04 -0.24 0.33 1.25 0.00 0.00 0.00 179.25 180.63 2jtt h LEU 80 N -0.45 0.39 -1.77 0.00 5.85 -0.73 0.55 115.31 119.15 2jtt h LEU 80 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jtt h LEU 80 Cb 0.49 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2jtt h LEU 80 CO 0.00 0.20 0.13 0.00 -0.34 0.00 0.00 178.44 178.44 2jtt h ALA 81 N 1.46 1.83 0.06 1.25 0.00 -1.03 -0.93 119.26 121.91 2jtt h ALA 81 Ca 0.37 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 55.01 2jtt h ALA 81 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jtt h ALA 81 CO -0.31 0.15 -1.11 1.98 0.00 0.00 0.00 179.25 179.96 2jtt h MET 82 N 0.30 0.15 -0.09 0.00 1.85 -0.85 -3.27 114.93 113.01 2jtt h MET 82 Ca 0.08 -0.24 -0.08 0.00 -0.61 0.00 0.00 59.70 58.84 2jtt h MET 82 Cb -0.02 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 2jtt h MET 82 CO -0.02 1.10 -0.32 0.82 -0.40 0.00 0.00 176.91 178.10 2jtt h ILE 83 N 0.04 1.26 0.00 1.77 1.08 -0.37 -3.14 117.51 118.16 2jtt h ILE 83 Ca -0.07 -1.25 -0.06 0.00 -0.39 0.00 0.00 64.86 63.08 2jtt h ILE 83 Cb 1.85 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 37.13 2jtt h ILE 83 CO 0.17 0.37 -0.01 -1.22 -0.69 0.00 0.00 178.15 176.77 2jtt n TYR 84 N -4.11 0.00 0.20 1.37 4.02 -0.41 -4.74 117.16 113.48 2jtt n TYR 84 Ca -0.01 -0.75 0.18 0.00 -0.01 0.00 0.00 57.90 57.31 2jtt n TYR 84 Cb 0.40 -0.80 0.79 0.00 -0.02 0.00 0.00 39.34 39.71 2jtt n TYR 84 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 2jtt h ASN 85 N 3.43 0.00 0.85 7.72 7.08 -1.76 -1.43 115.58 131.48 2jtt h ASN 85 Ca 0.06 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.25 2jtt h ASN 85 Cb 0.75 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.99 2jtt h ASN 85 CO 0.20 0.00 -0.18 -0.33 -2.08 0.00 0.00 177.43 175.04 2jtt h GLU 86 N 0.00 0.00 -0.02 4.14 5.08 -1.91 -0.97 114.58 120.90 2jtt h GLU 86 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2jtt h GLU 86 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2jtt h GLU 86 CO -0.00 0.18 -0.41 0.00 -1.00 0.00 0.00 179.01 177.77 2jtt h ALA 87 N 1.82 1.29 0.10 3.43 0.00 -1.62 -1.10 119.26 123.18 2jtt h ALA 87 Ca -0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.24 2jtt h ALA 87 Cb 0.65 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2jtt h ALA 87 CO 0.02 0.53 -1.19 -0.07 0.00 0.00 0.00 179.25 178.54 2jtt h LEU 88 N 0.03 0.79 0.04 0.00 3.38 -1.56 -3.35 115.31 114.63 2jtt h LEU 88 Ca -0.00 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 2jtt h LEU 88 Cb 0.74 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jtt h LEU 88 CO 0.06 1.53 -0.02 0.50 0.09 0.00 0.00 178.44 180.60 2jtt h LYS 89 N 0.26 -0.05 0.00 1.13 3.64 -1.05 -3.52 116.57 116.98 2jtt h LYS 89 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jtt h LYS 89 Cb 1.86 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 2jtt h LYS 89 CO 0.22 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 177.95