#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2elj n SER 2 N 0.00 1.44 -4.76 1.61 7.64 -1.26 -4.87 113.62 113.41 2elj n SER 2 Ca 0.00 1.15 -0.39 0.00 1.01 0.00 0.00 58.87 60.63 2elj n SER 2 Cb 0.00 -1.24 0.02 0.00 -1.01 0.00 0.00 64.21 61.98 2elj n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2elj s SER 3 N -0.05 5.79 -0.07 6.43 0.15 -1.26 -4.51 113.70 120.18 2elj s SER 3 Ca 0.71 2.84 -0.05 0.00 0.70 0.00 0.00 55.95 60.16 2elj s SER 3 Cb -0.82 -2.65 0.02 0.00 -1.71 0.00 0.00 66.02 60.86 2elj s SER 3 CO 0.53 -1.23 0.09 0.61 1.20 0.00 0.00 173.24 174.45 2elj n GLY 4 N 0.62 -3.93 0.18 9.45 0.00 -1.26 -4.96 105.19 105.28 2elj n GLY 4 Ca 0.06 0.43 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 2elj n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2elj h SER 5 N 1.68 0.71 -6.62 1.61 0.87 -1.99 -3.47 113.55 106.33 2elj h SER 5 Ca -0.21 -0.67 -0.53 0.00 -1.23 0.00 0.00 61.79 59.15 2elj h SER 5 Cb 0.48 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 2elj h SER 5 CO 0.00 1.27 -0.91 -0.24 -0.53 0.00 0.00 176.83 176.43 2elj n SER 6 N -4.12 -0.08 -3.64 6.23 2.88 -1.26 -4.95 113.62 108.68 2elj n SER 6 Ca -0.09 -1.07 -0.08 0.00 -1.33 0.00 0.00 58.87 56.31 2elj n SER 6 Cb 0.68 -2.74 -0.07 0.00 -0.75 0.00 0.00 64.21 61.33 2elj n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2elj s GLY 7 N -4.37 -0.34 0.51 0.46 0.00 -1.26 -5.17 107.32 97.15 2elj s GLY 7 Ca 0.01 2.60 -0.04 0.00 0.00 0.00 0.00 44.72 47.29 2elj s GLY 7 CO 0.91 2.21 0.79 -1.31 0.00 0.00 0.00 173.10 175.70 2elj s ASN 8 N 1.02 5.94 0.37 1.64 -0.87 -1.26 -5.11 114.94 116.66 2elj s ASN 8 Ca -0.05 0.70 0.05 0.00 -1.57 0.00 0.00 52.86 51.99 2elj s ASN 8 Cb -0.05 -1.90 0.05 0.00 -0.02 0.00 0.00 41.25 39.33 2elj s ASN 8 CO -0.12 -0.76 0.41 1.15 -2.57 0.00 0.00 177.10 175.21 2elj n MET 9 N -2.31 0.84 -3.58 -0.60 0.00 -1.26 -5.14 117.12 105.07 2elj n MET 9 Ca 0.02 -2.12 -0.09 0.00 0.00 0.00 0.00 57.70 55.51 2elj n MET 9 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 33.22 33.78 2elj n MET 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2elj s THR 10 N -1.52 0.00 0.49 3.17 2.01 -1.26 -5.01 115.64 113.52 2elj s THR 10 Ca 0.31 -0.31 0.22 0.00 0.31 0.00 0.00 61.69 62.22 2elj s THR 10 Cb -0.02 -1.36 0.39 0.00 0.01 0.00 0.00 72.50 71.52 2elj s THR 10 CO 0.20 0.00 1.95 0.40 -0.69 0.00 0.00 174.62 176.48 2elj h ILE 11 N 2.00 0.74 0.00 1.82 5.03 -2.00 0.30 117.51 125.39 2elj h ILE 11 Ca -0.27 -0.06 -0.07 0.00 -0.12 0.00 0.00 64.86 64.35 2elj h ILE 11 Cb 1.27 0.55 -0.01 0.00 -3.03 0.00 0.00 36.82 35.60 2elj h ILE 11 CO 0.31 0.03 -0.31 -1.28 -0.68 0.00 0.00 178.15 176.22 2elj h SER 12 N 0.17 0.00 0.02 1.72 0.87 -1.99 -2.08 113.55 112.26 2elj h SER 12 Ca 0.32 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2elj h SER 12 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2elj h SER 12 CO -0.05 0.31 -0.01 0.44 -0.53 0.00 0.00 176.83 176.99 2elj h ASP 13 N 0.00 -0.02 0.43 6.23 5.19 -0.81 -2.22 116.42 125.23 2elj h ASP 13 Ca -0.00 -0.75 -0.02 0.00 -0.62 0.00 0.00 57.03 55.64 2elj h ASP 13 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2elj h ASP 13 CO 0.04 0.77 -0.22 0.40 -3.12 0.00 0.00 179.24 177.12 2elj h ILE 14 N -0.84 0.55 0.72 0.35 2.04 -1.44 -2.74 117.51 116.14 2elj h ILE 14 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2elj h ILE 14 Cb 0.77 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2elj h ILE 14 CO 0.00 0.00 -0.42 1.56 0.00 0.00 0.00 178.15 179.30 2elj h GLN 15 N -0.60 -1.02 -0.79 2.37 4.20 -1.52 -2.73 115.11 115.02 2elj h GLN 15 Ca -0.06 0.07 0.27 0.00 0.06 0.00 0.00 58.65 58.99 2elj h GLN 15 Cb 0.47 0.23 -0.15 0.00 0.30 0.00 0.00 27.48 28.33 2elj h GLN 15 CO 0.09 -0.68 0.20 1.58 -0.67 0.00 0.00 178.83 179.35 2elj n HIS 16 N -5.07 0.70 -1.22 2.96 -0.00 -0.83 -4.54 115.22 107.22 2elj n HIS 16 Ca -0.13 0.95 -0.40 0.00 0.46 0.00 0.00 57.72 58.59 2elj n HIS 16 Cb 0.43 -1.21 -0.01 0.00 -0.12 0.00 0.00 29.99 29.08 2elj n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2elj n ALA 17 N -2.88 -2.78 0.01 1.57 0.00 -1.03 -4.89 120.51 110.50 2elj n ALA 17 Ca 0.24 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 2elj n ALA 17 Cb 0.80 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 2elj n ALA 17 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2elj h PRO 18 N 0.57 -0.05 -0.99 0.00 0.13 -1.88 -3.24 132.00 126.55 2elj h PRO 18 Ca -0.30 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.90 2elj h PRO 18 Cb 1.31 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 2elj h PRO 18 CO 0.47 0.42 0.64 -0.44 -0.23 0.00 0.00 178.00 178.85 2elj h ASP 19 N -0.54 1.02 -0.87 1.44 3.32 -1.92 -2.89 116.42 115.99 2elj h ASP 19 Ca -0.01 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.16 2elj h ASP 19 Cb 0.49 -0.21 -0.12 0.00 0.22 0.00 0.00 39.33 39.71 2elj h ASP 19 CO 0.01 0.65 -0.43 0.00 -1.72 0.00 0.00 179.24 177.75 2elj n TYR 20 N -4.50 -0.20 -0.27 4.55 9.36 -1.22 0.10 117.16 124.98 2elj n TYR 20 Ca 0.15 1.07 0.23 0.00 3.32 0.00 0.00 57.90 62.67 2elj n TYR 20 Cb 0.19 -0.68 0.42 0.00 -0.63 0.00 0.00 39.34 38.64 2elj n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2elj n ALA 21 N -3.44 0.74 -0.08 2.98 0.00 -1.09 0.10 120.51 119.72 2elj n ALA 21 Ca 0.05 0.86 -0.06 0.00 0.00 0.00 0.00 53.44 54.29 2elj n ALA 21 Cb 0.28 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 2elj n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2elj h LEU 22 N 0.00 -0.52 -9.37 0.00 3.38 0.53 -3.42 115.31 105.90 2elj h LEU 22 Ca 0.65 0.12 -0.63 0.00 0.09 0.00 0.00 57.88 58.12 2elj h LEU 22 Cb 1.64 0.29 0.10 0.00 0.09 0.00 0.00 40.66 42.78 2elj h LEU 22 CO -0.68 -0.19 0.09 0.18 0.09 0.00 0.00 178.44 177.92 2elj n LEU 23 N -5.33 1.34 -4.85 1.67 4.77 0.28 -4.96 117.00 109.92 2elj n LEU 23 Ca 0.01 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.85 2elj n LEU 23 Cb 0.24 -1.23 0.21 0.00 -2.33 0.00 0.00 43.42 40.32 2elj n LEU 23 CO 0.16 -1.57 0.82 -0.44 -1.33 0.00 0.00 177.39 175.03 2elj s SER 24 N -0.45 2.42 0.14 -1.43 0.01 -1.26 -4.67 113.70 108.46 2elj s SER 24 Ca 0.63 0.30 -0.24 0.00 1.31 0.00 0.00 55.95 57.95 2elj s SER 24 Cb -0.77 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 2elj s SER 24 CO 0.57 -3.17 1.63 0.78 0.41 0.00 0.00 173.24 173.47 2elj h ASN 25 N -1.94 -0.80 0.90 2.44 4.21 -1.95 0.13 115.58 118.57 2elj h ASN 25 Ca -0.44 0.13 -0.04 0.00 1.21 0.00 0.00 56.30 57.15 2elj h ASN 25 Cb 1.24 0.35 0.01 0.00 -1.12 0.00 0.00 38.32 38.80 2elj h ASN 25 CO 0.34 -0.30 -0.43 0.44 -1.29 0.00 0.00 177.43 176.19 2elj h ASP 26 N -0.32 -1.02 -0.88 5.81 3.32 -2.01 -2.69 116.42 118.63 2elj h ASP 26 Ca 0.10 0.04 0.24 0.00 0.02 0.00 0.00 57.03 57.43 2elj h ASP 26 Cb 0.47 0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.14 2elj h ASP 26 CO -0.32 -0.69 0.19 -0.33 -1.72 0.00 0.00 179.24 176.37 2elj h GLU 27 N -1.29 0.16 -0.04 3.56 5.08 -1.89 0.65 114.58 120.81 2elj h GLU 27 Ca -0.12 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2elj h GLU 27 Cb 0.92 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2elj h GLU 27 CO 0.20 0.10 -0.20 1.96 -1.00 0.00 0.00 179.01 180.08 2elj h GLN 28 N 0.16 -0.29 -0.31 2.33 4.20 -0.61 -2.32 115.11 118.29 2elj h GLN 28 Ca 0.55 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.32 2elj h GLN 28 Cb 1.12 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 2elj h GLN 28 CO -0.70 -0.19 -0.33 1.96 -0.67 0.00 0.00 178.83 178.90 2elj h GLN 29 N -0.30 -0.18 -0.32 1.46 1.08 -0.53 -2.02 115.11 114.29 2elj h GLN 29 Ca 0.07 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 2elj h GLN 29 Cb 0.39 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.80 2elj h GLN 29 CO -0.21 -0.12 -0.45 1.25 -0.95 0.00 0.00 178.83 178.34 2elj h LEU 30 N -0.19 -1.51 -0.87 1.46 5.85 -1.38 0.11 115.31 118.78 2elj h LEU 30 Ca 0.05 0.20 0.32 0.00 0.84 0.00 0.00 57.88 59.29 2elj h LEU 30 Cb 0.33 0.62 -0.16 0.00 0.37 0.00 0.00 40.66 41.82 2elj h LEU 30 CO -0.39 -0.33 0.31 0.00 -0.34 0.00 0.00 178.44 177.70 2elj h ILE 32 N 0.00 1.38 0.48 0.00 2.04 -0.16 0.31 117.51 121.56 2elj h ILE 32 Ca 0.67 -1.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 2elj h ILE 32 Cb 1.66 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 2elj h ILE 32 CO -0.72 0.50 -0.23 1.56 0.00 0.00 0.00 178.15 179.25 2elj h GLN 33 N 0.02 -0.62 0.00 2.37 4.20 0.28 -2.09 115.11 119.26 2elj h GLN 33 Ca -0.01 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2elj h GLN 33 Cb 0.99 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2elj h GLN 33 CO 0.08 -0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.11 2elj n LEU 34 N -5.36 0.00 -3.74 1.46 4.77 0.86 -4.88 117.00 110.10 2elj n LEU 34 Ca -0.12 0.24 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 2elj n LEU 34 Cb 0.28 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2elj n LEU 34 CO 0.36 -0.07 0.15 0.29 -1.33 0.00 0.00 177.39 176.80 2elj n LYS 35 N -1.24 -6.53 -3.75 3.23 5.02 -0.35 -4.99 118.16 109.56 2elj n LYS 35 Ca 0.12 0.71 -0.20 0.00 -2.02 0.00 0.00 58.31 56.91 2elj n LYS 35 Cb 0.16 -5.65 -0.02 0.00 -0.02 0.00 0.00 35.03 29.50 2elj n LYS 35 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2elj s ILE 36 N -3.34 4.17 0.16 -0.18 1.01 0.93 -5.00 121.20 118.95 2elj s ILE 36 Ca 0.54 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 60.04 2elj s ILE 36 Cb -0.26 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2elj s ILE 36 CO 0.78 -0.22 0.31 -0.76 0.00 0.00 0.00 174.94 175.06 2elj s LEU 37 N -4.04 4.31 0.41 2.97 1.43 -1.26 -4.64 118.68 117.86 2elj s LEU 37 Ca 0.40 0.22 0.20 0.00 -1.03 0.00 0.00 54.13 53.92 2elj s LEU 37 Cb -0.08 -2.97 0.86 0.00 0.03 0.00 0.00 46.19 44.03 2elj s LEU 37 CO 0.29 0.03 1.83 1.55 0.23 0.00 0.00 176.35 180.27 2elj h PRO 38 N 2.08 0.00 0.58 1.29 0.13 -1.96 -1.22 132.00 132.90 2elj h PRO 38 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2elj h PRO 38 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2elj h PRO 38 CO 0.68 0.31 -0.28 -0.22 -0.23 0.00 0.00 178.00 178.26 2elj h LYS 39 N 0.00 -0.75 -0.35 0.86 3.64 -1.97 -2.45 116.57 115.55 2elj h LYS 39 Ca -0.00 0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 2elj h LYS 39 Cb 0.73 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2elj h LYS 39 CO 0.04 -0.45 -0.40 -1.00 -2.27 0.00 0.00 179.45 175.38 2elj h PRO 40 N -1.09 0.85 -0.15 1.90 0.13 -1.99 -2.47 132.00 129.18 2elj h PRO 40 Ca -0.08 -0.45 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2elj h PRO 40 Cb 0.65 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2elj h PRO 40 CO 0.13 1.09 0.10 -0.92 -0.23 0.00 0.00 178.00 178.17 2elj h TYR 41 N 0.70 0.17 0.08 1.56 5.03 -1.30 -0.77 116.97 122.43 2elj h TYR 41 Ca 0.06 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.25 2elj h TYR 41 Cb 0.97 -0.06 0.01 0.00 1.55 0.00 0.00 36.73 39.21 2elj h TYR 41 CO 0.06 0.11 -0.51 -0.07 -1.32 0.00 0.00 178.16 176.42 2elj h LEU 42 N 0.18 0.31 0.24 2.82 3.38 -1.31 -2.63 115.31 118.30 2elj h LEU 42 Ca 0.06 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2elj h LEU 42 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2elj h LEU 42 CO -0.01 1.23 -0.22 0.58 0.09 0.00 0.00 178.44 180.11 2elj h VAL 43 N -0.57 0.53 -0.55 1.22 2.07 -1.10 -2.33 116.25 115.51 2elj h VAL 43 Ca -0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2elj h VAL 43 Cb 1.39 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2elj h VAL 43 CO 0.10 0.00 0.25 0.17 0.02 0.00 0.00 177.57 178.11 2elj h LEU 44 N -0.48 0.70 0.19 2.57 8.10 -1.30 -2.99 115.31 122.10 2elj h LEU 44 Ca -0.01 -0.07 0.01 0.00 0.11 0.00 0.00 57.88 57.92 2elj h LEU 44 Cb 0.44 -0.18 -0.04 0.00 -0.44 0.00 0.00 40.66 40.44 2elj h LEU 44 CO -0.04 0.61 -0.40 0.50 -4.11 0.00 0.00 178.44 175.01 2elj h LYS 45 N 0.78 -0.65 -0.74 0.17 3.64 -1.05 -2.15 116.57 116.57 2elj h LYS 45 Ca 0.19 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.77 2elj h LYS 45 Cb 0.11 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.97 2elj h LYS 45 CO -0.02 -0.43 0.23 1.49 -2.27 0.00 0.00 179.45 178.45 2elj h GLU 46 N -0.67 0.33 -0.27 1.90 4.81 -1.29 -1.81 114.58 117.58 2elj h GLU 46 Ca 0.01 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2elj h GLU 46 Cb 0.67 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 2elj h GLU 46 CO -0.19 0.22 -0.36 0.28 -0.73 0.00 0.00 179.01 178.23 2elj h VAL 47 N 0.34 0.21 -0.38 0.32 2.07 -1.30 -1.16 116.25 116.35 2elj h VAL 47 Ca 0.41 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.01 2elj h VAL 47 Cb 0.67 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 2elj h VAL 47 CO -0.46 0.00 -0.37 0.24 0.02 0.00 0.00 177.57 177.00 2elj h MET 48 N -0.35 -0.29 0.03 1.57 2.86 -0.96 0.18 114.93 117.97 2elj h MET 48 Ca 0.13 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2elj h MET 48 Cb 0.57 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 2elj h MET 48 CO -0.46 -0.19 -0.47 0.74 1.06 0.00 0.00 176.91 177.58 2elj h PHE 49 N -0.30 -1.36 -0.52 -0.22 0.04 -1.20 0.20 116.94 113.58 2elj h PHE 49 Ca 0.15 0.04 0.10 0.00 2.80 0.00 0.00 57.97 61.06 2elj h PHE 49 Cb 0.56 0.59 -0.08 0.00 2.20 0.00 0.00 35.95 39.22 2elj h PHE 49 CO -0.57 -0.54 0.03 0.00 -0.60 0.00 0.00 178.31 176.63 2elj h ARG 50 N -0.64 0.15 0.00 1.51 3.08 -0.62 0.34 114.38 118.20 2elj h ARG 50 Ca 0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2elj h ARG 50 Cb 0.70 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2elj h ARG 50 CO -0.32 0.10 -0.06 1.49 -1.07 0.00 0.00 179.97 180.11 2elj h GLU 51 N 0.15 0.00 0.00 0.04 4.57 0.04 0.20 114.58 119.57 2elj h GLU 51 Ca 0.26 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2elj h GLU 51 Cb 0.39 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2elj h GLU 51 CO -0.41 0.06 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.33 2elj h LEU 52 N 0.00 0.00 -1.01 1.64 3.38 0.27 -2.99 115.31 116.60 2elj h LEU 52 Ca -0.00 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2elj h LEU 52 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2elj h LEU 52 CO 0.01 0.76 -0.03 0.17 0.09 0.00 0.00 178.44 179.44 2elj h LEU 53 N -1.00 0.64 -0.02 1.67 8.10 -0.71 0.96 115.31 124.95 2elj h LEU 53 Ca -0.01 -0.15 -0.00 0.00 0.11 0.00 0.00 57.88 57.82 2elj h LEU 53 Cb 0.50 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2elj h LEU 53 CO -0.01 0.73 0.01 0.11 -4.11 0.00 0.00 178.44 175.17 2elj h LYS 54 N 0.63 0.03 0.00 0.17 1.57 -0.75 -3.01 116.57 115.21 2elj h LYS 54 Ca 0.12 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2elj h LYS 54 Cb 0.44 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2elj h LYS 54 CO 0.02 0.13 -0.58 1.79 -0.57 0.00 0.00 179.45 180.24 2elj h THR 55 N -0.08 0.81 -0.95 -0.16 1.35 -1.39 -3.48 112.91 108.99 2elj h THR 55 Ca 0.01 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 2elj h THR 55 Cb 0.11 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2elj h THR 55 CO -0.00 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 2elj n GLY 56 N 1.24 0.68 2.00 5.82 0.00 0.30 -4.62 105.19 110.60 2elj n GLY 56 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 2elj n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2elj n GLY 57 N -0.48 -0.11 2.61 -0.02 0.00 0.58 -5.00 105.19 102.77 2elj n GLY 57 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2elj n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2elj n ASN 58 N -1.65 2.48 -4.70 1.61 4.13 -1.26 -5.08 115.26 110.79 2elj n ASN 58 Ca -0.01 -2.66 -0.35 0.00 1.68 0.00 0.00 54.58 53.23 2elj n ASN 58 Cb 0.52 -0.46 -0.09 0.00 -1.54 0.00 0.00 39.78 38.21 2elj n ASN 58 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2elj s LEU 59 N -3.59 3.75 0.30 3.41 2.96 -1.26 -5.03 118.68 119.22 2elj s LEU 59 Ca 0.34 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.47 2elj s LEU 59 Cb 0.38 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 45.12 2elj s LEU 59 CO -0.02 0.34 0.01 -0.44 -1.32 0.00 0.00 176.35 174.92 2elj s SER 60 N -0.63 2.43 0.59 3.68 0.01 -1.26 -4.98 113.70 113.54 2elj s SER 60 Ca 0.11 -1.30 0.29 0.00 1.31 0.00 0.00 55.95 56.36 2elj s SER 60 Cb -0.12 -0.10 1.58 0.00 0.21 0.00 0.00 66.02 67.59 2elj s SER 60 CO 0.02 -0.51 2.02 0.50 0.41 0.00 0.00 173.24 175.68 2elj h LYS 61 N 2.21 0.00 0.00 12.44 1.63 -2.00 -1.37 116.57 129.49 2elj h LYS 61 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2elj h LYS 61 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2elj h LYS 61 CO 0.68 0.00 -0.35 0.77 -3.45 0.00 0.00 179.45 177.11 2elj h SER 62 N 0.00 0.00 -0.88 4.20 0.02 -2.01 -3.34 113.55 111.54 2elj h SER 62 Ca 0.14 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.26 2elj h SER 62 Cb 0.76 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.13 2elj h SER 62 CO -0.00 0.58 -0.23 0.00 -1.14 0.00 0.00 176.83 176.04 2elj h ALA 63 N -1.18 0.55 -0.11 3.77 0.00 -1.92 -1.25 119.26 119.11 2elj h ALA 63 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2elj h ALA 63 Cb 0.35 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2elj h ALA 63 CO 0.00 -0.41 -0.35 0.00 0.00 0.00 0.00 179.25 178.49 2elj h ARG 65 N -0.35 -0.04 -0.79 0.00 3.08 -1.36 0.39 114.38 115.32 2elj h ARG 65 Ca 0.02 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.24 2elj h ARG 65 Cb 0.42 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.37 2elj h ARG 65 CO -0.29 -0.02 0.31 0.93 -1.07 0.00 0.00 179.97 179.82 2elj h GLU 66 N -0.04 0.40 0.92 0.04 3.07 -1.16 0.47 114.58 118.29 2elj h GLU 66 Ca 0.12 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 2elj h GLU 66 Cb 0.34 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2elj h GLU 66 CO -0.70 0.27 -0.47 1.25 -1.40 0.00 0.00 179.01 177.95 2elj h LEU 67 N 0.41 -1.15 -2.48 1.33 5.85 0.18 -2.43 115.31 117.02 2elj h LEU 67 Ca 0.45 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.22 2elj h LEU 67 Cb 0.75 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2elj h LEU 67 CO -0.45 -0.78 -0.02 -0.07 -0.34 0.00 0.00 178.44 176.77 2elj h LEU 68 N -1.28 0.00 1.10 2.25 3.38 -0.09 -3.46 115.31 117.22 2elj h LEU 68 Ca -0.13 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.46 2elj h LEU 68 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2elj h LEU 68 CO 0.19 0.02 -0.56 0.59 0.09 0.00 0.00 178.44 178.77 2elj n ASN 69 N -3.57 -5.00 -4.83 -0.43 3.02 0.16 -4.97 115.26 99.64 2elj n ASN 69 Ca -0.03 -0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.98 2elj n ASN 69 Cb 0.11 -4.09 -0.02 0.00 -0.61 0.00 0.00 39.78 35.17 2elj n ASN 69 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2elj n ILE 70 N -4.16 0.00 -1.50 2.41 -5.35 -1.24 -5.06 119.36 104.46 2elj n ILE 70 Ca -0.09 -2.29 -0.37 0.00 -0.27 0.00 0.00 62.75 59.74 2elj n ILE 70 Cb 0.59 0.14 0.07 0.00 -1.74 0.00 0.00 39.64 38.70 2elj n ILE 70 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2elj n ASP 71 N -1.67 0.44 0.19 7.28 8.00 -1.26 -4.83 116.55 124.71 2elj n ASP 71 Ca -0.08 0.73 0.05 0.00 0.71 0.00 0.00 54.79 56.20 2elj n ASP 71 Cb 0.64 -1.38 0.39 0.00 -0.02 0.00 0.00 41.12 40.75 2elj n ASP 71 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2elj h PRO 72 N 0.12 0.00 0.08 -0.24 0.13 -1.99 -2.37 132.00 127.74 2elj h PRO 72 Ca -0.48 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 2elj h PRO 72 Cb 1.35 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.51 2elj h PRO 72 CO 0.48 0.36 -0.88 0.82 -0.23 0.00 0.00 178.00 178.55 2elj h ILE 73 N 0.00 1.40 0.70 -3.56 2.04 -1.99 -2.75 117.51 113.35 2elj h ILE 73 Ca -0.00 -2.33 -0.03 0.00 1.00 0.00 0.00 64.86 63.49 2elj h ILE 73 Cb 0.76 2.80 0.01 0.00 -0.74 0.00 0.00 36.82 39.65 2elj h ILE 73 CO 0.05 0.69 -0.33 0.11 0.00 0.00 0.00 178.15 178.66 2elj h LYS 74 N -0.04 -0.90 -0.89 2.37 1.57 -1.92 -3.00 116.57 113.75 2elj h LYS 74 Ca -0.13 0.06 0.16 0.00 -1.87 0.00 0.00 60.65 58.86 2elj h LYS 74 Cb 1.61 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 34.06 2elj h LYS 74 CO 0.17 -0.58 0.58 0.00 -0.57 0.00 0.00 179.45 179.05 2elj h ALA 75 N -1.09 1.90 -0.91 3.86 0.00 -1.58 0.21 119.26 121.64 2elj h ALA 75 Ca -0.10 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2elj h ALA 75 Cb 0.74 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2elj h ALA 75 CO 0.16 -0.15 0.59 -0.91 0.00 0.00 0.00 179.25 178.93 2elj h ASN 76 N 0.63 0.83 0.08 0.00 2.35 -1.40 -0.72 115.58 117.35 2elj h ASN 76 Ca 0.45 0.02 -0.24 0.00 -0.55 0.00 0.00 56.30 55.98 2elj h ASN 76 Cb 0.81 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 2elj h ASN 76 CO -0.21 0.49 -1.27 -0.09 -1.65 0.00 0.00 177.43 174.71 2elj h ARG 77 N 0.92 0.17 -0.57 0.81 9.65 -0.85 -3.29 114.38 121.22 2elj h ARG 77 Ca 0.42 -0.29 0.12 0.00 -1.10 0.00 0.00 59.98 59.13 2elj h ARG 77 Cb 0.38 0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 28.97 2elj h ARG 77 CO -0.18 1.14 -0.04 0.82 2.80 0.00 0.00 179.97 184.50 2elj h ILE 78 N -0.51 0.50 -0.99 1.20 2.04 -0.47 0.30 117.51 119.59 2elj h ILE 78 Ca -0.29 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2elj h ILE 78 Cb 1.60 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 2elj h ILE 78 CO -0.00 0.01 0.65 0.22 0.00 0.00 0.00 178.15 179.03 2elj h TYR 79 N 0.08 1.24 -0.33 1.37 5.03 -1.30 -1.73 116.97 121.33 2elj h TYR 79 Ca 0.29 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.60 2elj h TYR 79 Cb 0.45 -0.42 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 2elj h TYR 79 CO -0.38 0.78 0.09 -0.44 -1.32 0.00 0.00 178.16 176.88 2elj h ASP 80 N 1.33 0.43 -0.25 -2.11 3.32 -1.06 -2.71 116.42 115.37 2elj h ASP 80 Ca 0.36 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 2elj h ASP 80 Cb -0.15 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2elj h ASP 80 CO -0.08 0.43 0.05 0.15 -1.72 0.00 0.00 179.24 178.07 2elj h PHE 81 N 0.47 0.42 0.00 4.55 3.57 -0.30 -2.18 116.94 123.47 2elj h PHE 81 Ca 0.11 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2elj h PHE 81 Cb 0.17 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2elj h PHE 81 CO 0.01 0.50 0.00 1.19 -2.23 0.00 0.00 178.31 177.78 2elj n PHE 82 N -4.71 0.74 0.48 0.41 3.01 -1.03 -0.32 117.46 116.04 2elj n PHE 82 Ca -0.03 0.38 0.11 0.00 1.01 0.00 0.00 57.45 58.92 2elj n PHE 82 Cb 0.19 -1.11 0.06 0.00 -0.01 0.00 0.00 39.48 38.60 2elj n PHE 82 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2elj n GLN 83 N -2.26 0.35 0.10 -1.08 1.13 -0.84 -2.40 117.38 112.39 2elj n GLN 83 Ca -0.01 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 55.04 2elj n GLN 83 Cb 0.04 -1.65 0.09 0.00 0.11 0.00 0.00 30.24 28.84 2elj n GLN 83 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2elj h SER 84 N 0.00 0.13 -0.40 1.08 0.02 -0.46 -2.97 113.55 110.95 2elj h SER 84 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2elj h SER 84 Cb 0.78 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2elj h SER 84 CO 0.00 0.79 0.00 0.00 -1.14 0.00 0.00 176.83 176.48 2elj n GLN 85 N -3.76 2.28 -3.04 3.45 1.13 -1.23 -4.93 117.38 111.29 2elj n GLN 85 Ca -0.02 -1.95 -0.22 0.00 -1.94 0.00 0.00 57.00 52.87 2elj n GLN 85 Cb 0.68 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.59 2elj n GLN 85 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2elj n ASN 86 N 1.13 -5.49 0.10 1.08 4.13 -1.12 -4.87 115.26 110.23 2elj n ASN 86 Ca 0.19 -0.27 -0.03 0.00 1.68 0.00 0.00 54.58 56.14 2elj n ASN 86 Cb 0.50 -4.47 0.04 0.00 -1.54 0.00 0.00 39.78 34.32 2elj n ASN 86 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 2elj h TRP 87 N -1.15 0.00 -0.03 3.10 6.55 -1.75 -3.50 115.95 119.17 2elj h TRP 87 Ca -0.50 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.34 2elj h TRP 87 Cb 1.34 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.64 2elj h TRP 87 CO 0.57 0.77 0.00 -1.33 -1.05 0.00 0.00 178.44 177.41