#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2elj s SER 2 N 0.00 6.29 -0.87 1.61 0.01 -1.26 -4.45 113.70 115.03 2elj s SER 2 Ca 0.00 -2.07 -0.05 0.00 1.31 0.00 0.00 55.95 55.14 2elj s SER 2 Cb 0.00 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 64.05 2elj s SER 2 CO 0.00 -0.76 0.76 -0.24 0.41 0.00 0.00 173.24 173.41 2elj n SER 3 N 4.83 -4.27 -3.50 2.44 2.88 -1.26 -5.02 113.62 109.72 2elj n SER 3 Ca -0.05 -0.37 -0.12 0.00 -1.33 0.00 0.00 58.87 57.00 2elj n SER 3 Cb 0.42 -3.50 -0.10 0.00 -0.75 0.00 0.00 64.21 60.28 2elj n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2elj s GLY 4 N -3.36 -0.26 0.12 0.46 0.00 -1.26 -5.15 107.32 97.86 2elj s GLY 4 Ca 0.30 0.91 0.06 0.00 0.00 0.00 0.00 44.72 45.99 2elj s GLY 4 CO 0.48 2.37 -0.14 -0.56 0.00 0.00 0.00 173.10 175.25 2elj s SER 5 N 2.49 2.02 -0.29 1.64 0.01 -1.26 -4.68 113.70 113.63 2elj s SER 5 Ca 0.06 -0.81 -0.14 0.00 1.31 0.00 0.00 55.95 56.38 2elj s SER 5 Cb -0.14 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2elj s SER 5 CO -0.13 -0.14 0.30 -0.55 0.41 0.00 0.00 173.24 173.14 2elj s SER 6 N -2.44 6.15 -0.02 2.44 0.15 -1.26 -5.03 113.70 113.70 2elj s SER 6 Ca 0.09 0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 2elj s SER 6 Cb -0.05 -2.17 0.12 0.00 -1.71 0.00 0.00 66.02 62.20 2elj s SER 6 CO 0.03 -0.18 1.27 -0.83 1.20 0.00 0.00 173.24 174.73 2elj s GLY 7 N 1.71 -0.40 -0.57 9.45 0.00 -1.26 -5.10 107.32 111.15 2elj s GLY 7 Ca 0.11 0.71 -0.27 0.00 0.00 0.00 0.00 44.72 45.28 2elj s GLY 7 CO 0.11 0.13 1.94 -1.31 0.00 0.00 0.00 173.10 173.97 2elj s ASN 8 N -2.94 5.20 -0.77 1.64 0.01 -1.26 -4.90 114.94 111.92 2elj s ASN 8 Ca 0.14 0.54 -0.25 0.00 -0.71 0.00 0.00 52.86 52.57 2elj s ASN 8 Cb 0.04 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 2elj s ASN 8 CO -0.04 -2.39 1.89 -0.32 -1.51 0.00 0.00 177.10 174.73 2elj s MET 9 N 7.09 2.61 0.29 -0.60 -2.45 -1.26 -4.96 119.30 120.02 2elj s MET 9 Ca 0.73 0.11 -0.03 0.00 -1.25 0.00 0.00 55.69 55.25 2elj s MET 9 Cb -0.14 -4.74 -0.05 0.00 1.25 0.00 0.00 34.83 31.15 2elj s MET 9 CO 0.23 -3.04 0.53 0.95 1.05 0.00 0.00 175.02 174.73 2elj s THR 10 N 9.48 5.07 0.05 10.11 -4.23 -1.26 -5.02 115.64 129.83 2elj s THR 10 Ca 0.68 -0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.90 2elj s THR 10 Cb -0.09 -3.76 -0.14 0.00 1.34 0.00 0.00 72.50 69.85 2elj s THR 10 CO 0.09 -0.35 1.32 0.40 -0.54 0.00 0.00 174.62 175.55 2elj h ILE 11 N 1.26 1.35 -0.98 2.99 2.04 -1.96 -3.20 117.51 119.00 2elj h ILE 11 Ca -0.48 -1.50 0.36 0.00 1.00 0.00 0.00 64.86 64.24 2elj h ILE 11 Cb 1.19 1.92 -0.18 0.00 -0.74 0.00 0.00 36.82 39.01 2elj h ILE 11 CO 0.66 0.45 0.34 -1.20 0.00 0.00 0.00 178.15 178.40 2elj n SER 12 N -4.40 0.18 0.08 1.72 7.64 -1.26 -0.41 113.62 117.16 2elj n SER 12 Ca -0.06 1.65 -0.15 0.00 1.01 0.00 0.00 58.87 61.32 2elj n SER 12 Cb 0.45 -0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 62.84 2elj n SER 12 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2elj h ASP 13 N 0.00 -1.50 -0.88 6.43 3.58 -1.98 0.16 116.42 122.24 2elj h ASP 13 Ca 0.75 0.16 0.14 0.00 0.42 0.00 0.00 57.03 58.50 2elj h ASP 13 Cb 1.85 0.56 -0.15 0.00 1.72 0.00 0.00 39.33 43.32 2elj h ASP 13 CO -0.82 -0.50 -0.39 0.40 -2.88 0.00 0.00 179.24 175.06 2elj h ILE 14 N -0.65 0.05 0.04 2.25 2.04 -0.90 0.54 117.51 120.88 2elj h ILE 14 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2elj h ILE 14 Cb 0.68 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2elj h ILE 14 CO -0.30 0.00 -0.02 1.56 0.00 0.00 0.00 178.15 179.39 2elj h GLN 15 N -0.05 -0.06 -0.92 2.37 4.20 -1.35 -2.74 115.11 116.56 2elj h GLN 15 Ca 0.30 0.00 0.28 0.00 0.06 0.00 0.00 58.65 59.30 2elj h GLN 15 Cb 0.58 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.20 2elj h GLN 15 CO -0.90 -0.04 0.12 1.58 -0.67 0.00 0.00 178.83 178.92 2elj n HIS 16 N -5.12 0.69 -1.56 2.96 -0.00 0.52 -4.48 115.22 108.23 2elj n HIS 16 Ca -0.07 1.10 -0.42 0.00 0.46 0.00 0.00 57.72 58.79 2elj n HIS 16 Cb 0.06 -1.25 0.00 0.00 -0.12 0.00 0.00 29.99 28.68 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 -3.02 -0.47 -0.01 1.57 0.00 -0.96 -4.92 120.51 112.69 2elj n ALA 17 Ca 0.24 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 2elj n ALA 17 Cb 0.81 -1.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 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 1.40 -0.01 -1.00 0.00 0.13 -1.88 -3.21 132.00 127.43 2elj h PRO 18 Ca -0.42 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.89 2elj h PRO 18 Cb 1.36 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 2elj h PRO 18 CO 0.56 0.47 0.62 -0.44 -0.23 0.00 0.00 178.00 178.98 2elj h ASP 19 N -0.50 0.80 -0.82 1.44 3.32 -1.92 -2.34 116.42 116.39 2elj h ASP 19 Ca -0.00 0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.25 2elj h ASP 19 Cb 0.49 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 39.84 2elj h ASP 19 CO 0.00 0.33 -0.32 0.00 -1.72 0.00 0.00 179.24 177.53 2elj n TYR 20 N -4.70 0.02 -0.33 4.55 9.36 -1.21 0.13 117.16 124.98 2elj n TYR 20 Ca 0.22 1.01 0.19 0.00 3.32 0.00 0.00 57.90 62.64 2elj n TYR 20 Cb 0.52 -0.81 0.38 0.00 -0.63 0.00 0.00 39.34 38.80 2elj n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2elj h ALA 21 N 1.13 1.47 -0.48 2.98 0.00 -1.59 0.35 119.26 123.11 2elj h ALA 21 Ca 0.29 0.31 0.10 0.00 0.00 0.00 0.00 54.91 55.61 2elj h ALA 21 Cb 0.49 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 2elj h ALA 21 CO -0.81 -0.67 -0.21 -0.07 0.00 0.00 0.00 179.25 177.48 2elj h LEU 22 N 0.02 -0.73 -9.31 0.00 3.38 0.87 -3.40 115.31 106.13 2elj h LEU 22 Ca 0.67 0.17 -0.64 0.00 0.09 0.00 0.00 57.88 58.17 2elj h LEU 22 Cb 1.52 0.40 0.04 0.00 0.09 0.00 0.00 40.66 42.71 2elj h LEU 22 CO -0.86 -0.24 0.84 0.18 0.09 0.00 0.00 178.44 178.44 2elj n LEU 23 N -5.40 2.75 -4.34 1.67 4.77 0.12 -4.94 117.00 111.63 2elj n LEU 23 Ca 0.04 1.06 -0.31 0.00 -0.03 0.00 0.00 56.01 56.77 2elj n LEU 23 Cb 0.31 -1.30 0.28 0.00 -2.33 0.00 0.00 43.42 40.38 2elj n LEU 23 CO 0.08 -0.41 0.44 -0.94 -1.33 0.00 0.00 177.39 175.23 2elj s SER 24 N 2.30 -0.87 0.24 -1.43 1.04 -1.26 -4.49 113.70 109.22 2elj s SER 24 Ca 0.88 0.80 -0.07 0.00 0.48 0.00 0.00 55.95 58.04 2elj s SER 24 Cb -0.82 -1.12 0.24 0.00 0.10 0.00 0.00 66.02 64.42 2elj s SER 24 CO 0.50 -5.24 1.90 0.78 0.98 0.00 0.00 173.24 172.16 2elj h ASN 25 N -3.34 1.02 0.33 7.02 4.21 -1.94 -0.34 115.58 122.54 2elj h ASN 25 Ca -0.43 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.04 2elj h ASN 25 Cb 1.33 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 2elj h ASN 25 CO 0.28 0.72 -0.16 0.44 -1.29 0.00 0.00 177.43 177.43 2elj h ASP 26 N 1.20 -0.38 -0.56 5.81 5.19 -2.01 -2.61 116.42 123.06 2elj h ASP 26 Ca 0.34 0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.87 2elj h ASP 26 Cb -0.10 0.10 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 2elj h ASP 26 CO -0.09 -0.21 -0.25 -0.33 -3.12 0.00 0.00 179.24 175.25 2elj h GLU 27 N -0.57 -0.11 -0.17 3.56 5.08 -1.90 -2.37 114.58 118.10 2elj h GLU 27 Ca -0.05 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2elj h GLU 27 Cb 0.34 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2elj h GLU 27 CO 0.07 -0.07 -0.29 1.96 -1.00 0.00 0.00 179.01 179.69 2elj h GLN 28 N -0.11 -0.23 -0.87 2.33 4.20 -1.12 0.54 115.11 119.85 2elj h GLN 28 Ca 0.25 0.02 0.34 0.00 0.06 0.00 0.00 58.65 59.32 2elj h GLN 28 Cb 0.51 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.21 2elj h GLN 28 CO -0.63 -0.15 0.51 1.04 -0.67 0.00 0.00 178.83 178.92 2elj n GLN 29 N -4.08 -0.04 0.49 1.46 1.13 -0.90 0.38 117.38 115.82 2elj n GLN 29 Ca -0.02 1.05 -0.19 0.00 -1.94 0.00 0.00 57.00 55.90 2elj n GLN 29 Cb 0.18 -1.95 -0.09 0.00 0.11 0.00 0.00 30.24 28.50 2elj n GLN 29 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2elj h LEU 30 N 0.00 -1.06 -0.92 1.08 5.85 -0.77 -2.33 115.31 117.15 2elj h LEU 30 Ca 0.67 0.04 0.29 0.00 0.84 0.00 0.00 57.88 59.72 2elj h LEU 30 Cb 1.91 0.27 -0.17 0.00 0.37 0.00 0.00 40.66 43.04 2elj h LEU 30 CO -0.53 -0.73 0.15 0.00 -0.34 0.00 0.00 178.44 176.98 2elj h ILE 32 N 0.00 1.26 0.28 0.00 5.03 -1.35 0.60 117.51 123.34 2elj h ILE 32 Ca 0.62 -1.10 -0.01 0.00 -0.12 0.00 0.00 64.86 64.24 2elj h ILE 32 Cb 1.40 0.71 0.00 0.00 -3.03 0.00 0.00 36.82 35.90 2elj h ILE 32 CO -0.82 0.41 -0.13 1.56 -0.68 0.00 0.00 178.15 178.48 2elj h GLN 33 N 1.01 -0.36 -0.69 2.37 4.20 0.27 -3.14 115.11 118.77 2elj h GLN 33 Ca 0.19 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2elj h GLN 33 Cb 0.50 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2elj h GLN 33 CO 0.02 -0.02 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2elj n LEU 34 N -5.05 1.52 -4.48 1.46 4.77 0.11 -4.86 117.00 110.48 2elj n LEU 34 Ca -0.08 -0.77 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 2elj n LEU 34 Cb 0.26 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 2elj n LEU 34 CO 0.25 0.28 -0.17 2.29 -1.33 0.00 0.00 177.39 178.71 2elj n LYS 35 N 0.05 -0.73 -3.58 3.23 2.85 0.95 -4.89 118.16 116.05 2elj n LYS 35 Ca 0.05 0.13 -0.27 0.00 -1.05 0.00 0.00 58.31 57.18 2elj n LYS 35 Cb 0.33 -4.57 -0.03 0.00 -0.65 0.00 0.00 35.03 30.11 2elj n LYS 35 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2elj s ILE 36 N -3.25 5.15 0.18 0.58 1.01 0.17 -4.98 121.20 120.06 2elj s ILE 36 Ca 0.79 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 61.17 2elj s ILE 36 Cb -0.46 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2elj s ILE 36 CO 1.01 -0.28 0.18 -0.76 0.00 0.00 0.00 174.94 175.09 2elj s LEU 37 N -3.56 3.90 0.47 2.97 1.43 -1.26 -4.56 118.68 118.07 2elj s LEU 37 Ca 0.40 -0.10 0.26 0.00 -1.03 0.00 0.00 54.13 53.65 2elj s LEU 37 Cb -0.11 -2.49 1.09 0.00 0.03 0.00 0.00 46.19 44.71 2elj s LEU 37 CO 0.30 0.04 1.90 1.55 0.23 0.00 0.00 176.35 180.37 2elj h PRO 38 N 2.12 0.00 0.70 1.29 0.13 -1.97 -1.50 132.00 132.77 2elj h PRO 38 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2elj h PRO 38 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2elj h PRO 38 CO 0.63 0.19 -0.33 -0.22 -0.23 0.00 0.00 178.00 178.03 2elj h LYS 39 N 0.00 -0.90 -0.20 0.86 1.63 -1.96 -2.99 116.57 113.00 2elj h LYS 39 Ca -0.00 0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.78 2elj h LYS 39 Cb 0.63 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2elj h LYS 39 CO 0.02 -0.60 -0.20 -1.00 -3.45 0.00 0.00 179.45 174.22 2elj h PRO 40 N -1.25 0.50 -0.94 1.90 0.13 -1.99 -3.05 132.00 127.30 2elj h PRO 40 Ca -0.10 -0.26 0.27 0.00 -0.87 0.00 0.00 66.00 65.05 2elj h PRO 40 Cb 0.72 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 2elj h PRO 40 CO 0.16 0.84 0.70 -0.92 -0.23 0.00 0.00 178.00 178.55 2elj h TYR 41 N 0.17 0.00 0.22 1.56 5.03 -1.39 0.24 116.97 122.80 2elj h TYR 41 Ca 0.03 0.00 -0.32 0.00 2.58 0.00 0.00 58.73 61.02 2elj h TYR 41 Cb 0.75 0.00 0.03 0.00 1.55 0.00 0.00 36.73 39.06 2elj h TYR 41 CO 0.08 0.00 -1.41 -0.07 -1.32 0.00 0.00 178.16 175.44 2elj h LEU 42 N 0.00 0.81 0.52 2.82 3.38 -1.42 -2.71 115.31 118.71 2elj h LEU 42 Ca 0.45 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2elj h LEU 42 Cb 1.84 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 42.34 2elj h LEU 42 CO -0.00 1.65 -0.25 0.58 0.09 0.00 0.00 178.44 180.51 2elj h VAL 43 N 0.17 0.48 -0.84 1.22 2.07 -0.47 -2.67 116.25 116.22 2elj h VAL 43 Ca -0.23 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2elj h VAL 43 Cb 2.10 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 2elj h VAL 43 CO 0.26 0.02 0.47 0.17 0.02 0.00 0.00 177.57 178.51 2elj h LEU 44 N -0.75 1.03 -0.37 2.57 8.10 -1.42 -2.79 115.31 121.67 2elj h LEU 44 Ca -0.07 -0.08 0.08 0.00 0.11 0.00 0.00 57.88 57.92 2elj h LEU 44 Cb 0.56 -0.26 -0.08 0.00 -0.44 0.00 0.00 40.66 40.44 2elj h LEU 44 CO 0.12 0.82 -0.19 0.50 -4.11 0.00 0.00 178.44 175.58 2elj h LYS 45 N 1.16 -0.12 -0.76 0.17 3.64 -1.33 -1.05 116.57 118.29 2elj h LYS 45 Ca 0.30 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2elj h LYS 45 Cb 0.01 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2elj h LYS 45 CO -0.05 -0.08 0.49 1.49 -2.27 0.00 0.00 179.45 179.03 2elj h GLU 46 N -0.12 1.00 -0.62 1.90 4.22 -1.23 -2.62 114.58 117.12 2elj h GLU 46 Ca 0.19 -0.07 0.12 0.00 0.08 0.00 0.00 59.36 59.68 2elj h GLU 46 Cb 0.41 -0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 2elj h GLU 46 CO -0.45 0.68 0.12 0.28 -2.18 0.00 0.00 179.01 177.46 2elj h VAL 47 N 1.03 0.61 0.73 0.32 2.07 -0.97 0.16 116.25 120.21 2elj h VAL 47 Ca 0.28 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2elj h VAL 47 Cb -0.10 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2elj h VAL 47 CO -0.06 0.05 -0.36 0.24 0.02 0.00 0.00 177.57 177.45 2elj h MET 48 N 0.25 -0.96 -0.80 1.57 2.86 -1.02 -2.84 114.93 113.99 2elj h MET 48 Ca 0.33 0.07 0.17 0.00 -2.06 0.00 0.00 59.70 58.21 2elj h MET 48 Cb 0.50 0.22 -0.11 0.00 0.06 0.00 0.00 31.60 32.27 2elj h MET 48 CO -0.43 -0.64 0.30 0.74 1.06 0.00 0.00 176.91 177.94 2elj h PHE 49 N -1.00 0.49 -1.01 -0.22 0.04 -1.27 0.22 116.94 114.20 2elj h PHE 49 Ca -0.10 0.04 0.23 0.00 2.80 0.00 0.00 57.97 60.94 2elj h PHE 49 Cb 0.77 -0.09 -0.10 0.00 2.20 0.00 0.00 35.95 38.72 2elj h PHE 49 CO 0.04 -0.02 0.62 -0.09 -0.60 0.00 0.00 178.31 178.26 2elj h ARG 50 N 0.38 0.56 0.21 1.51 2.43 -0.54 0.19 114.38 119.12 2elj h ARG 50 Ca 0.47 -0.03 -0.35 0.00 -0.81 0.00 0.00 59.98 59.26 2elj h ARG 50 Cb 0.80 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2elj h ARG 50 CO -0.48 0.37 -1.66 1.49 -1.51 0.00 0.00 179.97 178.18 2elj h GLU 51 N 0.58 0.44 -0.86 0.20 4.57 -0.44 -2.68 114.58 116.38 2elj h GLU 51 Ca 0.59 -0.75 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2elj h GLU 51 Cb 1.18 0.28 -0.05 0.00 -0.16 0.00 0.00 28.75 30.00 2elj h GLU 51 CO -0.37 1.35 0.57 -0.07 -1.18 0.00 0.00 179.01 179.31 2elj h LEU 52 N 0.12 0.90 0.18 1.64 3.38 0.47 -0.23 115.31 121.76 2elj h LEU 52 Ca -0.31 -0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.35 2elj h LEU 52 Cb 2.12 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 42.70 2elj h LEU 52 CO 0.21 0.60 -1.35 0.17 0.09 0.00 0.00 178.44 178.16 2elj h LEU 53 N 1.03 0.66 0.19 1.67 8.10 -0.80 0.13 115.31 126.30 2elj h LEU 53 Ca 0.35 -0.70 -0.01 0.00 0.11 0.00 0.00 57.88 57.64 2elj h LEU 53 Cb 0.10 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.11 2elj h LEU 53 CO -0.12 1.54 -0.09 0.50 -4.11 0.00 0.00 178.44 176.17 2elj h LYS 54 N 0.13 -0.24 0.00 0.17 3.64 -1.07 -3.02 116.57 116.17 2elj h LYS 54 Ca -0.20 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 2elj h LYS 54 Cb 2.06 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.92 2elj h LYS 54 CO 0.24 -0.15 -0.76 1.79 -2.27 0.00 0.00 179.45 178.30 2elj h THR 55 N -0.27 0.79 0.00 1.00 1.35 -1.18 -3.48 112.91 111.12 2elj h THR 55 Ca -0.03 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2elj h THR 55 Cb 0.20 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2elj h THR 55 CO 0.04 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2elj n GLY 56 N 1.27 2.23 0.00 5.82 0.00 0.39 -4.72 105.19 110.18 2elj n GLY 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.09 -0.84 2.56 -0.02 0.00 -0.73 -4.76 105.19 101.31 2elj n GLY 57 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 2.72 -4.41 1.61 4.13 -1.26 -5.05 115.26 113.00 2elj n ASN 58 Ca 0.00 -2.71 -0.38 0.00 1.68 0.00 0.00 54.58 53.17 2elj n ASN 58 Cb 0.00 -0.45 -0.12 0.00 -1.54 0.00 0.00 39.78 37.68 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 -3.65 4.07 0.45 3.41 2.96 -1.26 -5.03 118.68 119.63 2elj s LEU 59 Ca 0.35 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 2elj s LEU 59 Cb 0.37 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 45.09 2elj s LEU 59 CO -0.02 -0.21 0.45 -0.94 -1.32 0.00 0.00 176.35 174.32 2elj s SER 60 N 1.58 5.09 0.26 3.68 1.04 -1.26 -4.90 113.70 119.18 2elj s SER 60 Ca 0.04 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 2elj s SER 60 Cb -0.17 -0.38 0.50 0.00 0.10 0.00 0.00 66.02 66.07 2elj s SER 60 CO 0.05 -0.79 1.77 0.50 0.98 0.00 0.00 173.24 175.75 2elj h LYS 61 N 0.85 0.64 0.30 4.02 3.64 -1.99 0.11 116.57 124.13 2elj h LYS 61 Ca -0.39 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 2elj h LYS 61 Cb 1.28 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2elj h LYS 61 CO 0.54 0.42 -0.14 0.66 -2.27 0.00 0.00 179.45 178.66 2elj h SER 62 N 0.66 -0.34 0.30 4.20 4.64 -2.01 -2.91 113.55 118.09 2elj h SER 62 Ca 0.45 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 2elj h SER 62 Cb 0.59 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2elj h SER 62 CO -0.34 -0.19 -0.21 0.00 -0.87 0.00 0.00 176.83 175.22 2elj h ALA 63 N 0.23 -0.50 -0.95 5.18 0.00 -1.78 -3.03 119.26 118.41 2elj h ALA 63 Ca -0.04 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.88 2elj h ALA 63 Cb 0.35 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 2elj h ALA 63 CO 0.07 -0.80 -0.52 0.00 0.00 0.00 0.00 179.25 178.00 2elj h ARG 65 N 0.00 0.16 0.26 0.00 3.08 -1.40 0.31 114.38 116.78 2elj h ARG 65 Ca 0.19 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2elj h ARG 65 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2elj h ARG 65 CO -0.91 0.10 -0.12 1.49 -1.07 0.00 0.00 179.97 179.46 2elj h GLU 66 N 0.16 -0.33 0.19 0.04 4.57 0.09 0.27 114.58 119.57 2elj h GLU 66 Ca 0.40 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.61 2elj h GLU 66 Cb 0.69 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 2elj h GLU 66 CO -0.58 -0.16 -0.52 1.25 -1.18 0.00 0.00 179.01 177.82 2elj h LEU 67 N -0.44 -1.55 -1.54 1.64 5.85 0.30 -1.67 115.31 117.91 2elj h LEU 67 Ca -0.04 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2elj h LEU 67 Cb 0.33 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2elj h LEU 67 CO 0.06 -0.58 0.31 -0.07 -0.34 0.00 0.00 178.44 177.82 2elj h LEU 68 N -0.80 0.54 -1.49 2.25 3.38 -0.99 -3.47 115.31 114.73 2elj h LEU 68 Ca -0.01 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.56 2elj h LEU 68 Cb 0.78 -0.13 0.11 0.00 0.09 0.00 0.00 40.66 41.51 2elj h LEU 68 CO -0.25 0.39 -0.77 0.59 0.09 0.00 0.00 178.44 178.49 2elj n ASN 69 N -4.46 -2.78 -4.05 -0.43 3.02 0.94 -5.00 115.26 102.48 2elj n ASN 69 Ca 0.04 -0.68 -0.17 0.00 -0.03 0.00 0.00 54.58 53.73 2elj n ASN 69 Cb 0.05 -4.68 -0.09 0.00 -0.61 0.00 0.00 39.78 34.45 2elj n ASN 69 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2elj s ILE 70 N -3.44 0.31 0.53 2.41 -4.36 -1.24 -5.08 121.20 110.33 2elj s ILE 70 Ca 0.16 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.39 2elj s ILE 70 Cb -0.08 -2.53 -0.14 0.00 1.25 0.00 0.00 42.46 40.96 2elj s ILE 70 CO 0.76 0.00 -0.20 0.47 0.24 0.00 0.00 174.94 176.21 2elj n ASP 71 N -0.77 -3.70 0.15 4.36 9.92 -1.26 -4.72 116.55 120.52 2elj n ASP 71 Ca 0.01 0.55 -0.00 0.00 -0.53 0.00 0.00 54.79 54.82 2elj n ASP 71 Cb 0.65 -0.77 0.25 0.00 -0.64 0.00 0.00 41.12 40.61 2elj n ASP 71 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2elj h PRO 72 N -0.13 0.06 -0.02 -0.24 0.13 -1.99 -2.73 132.00 127.08 2elj h PRO 72 Ca -0.38 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2elj h PRO 72 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2elj h PRO 72 CO 0.36 0.53 -0.02 0.82 -0.23 0.00 0.00 178.00 179.46 2elj h ILE 73 N 0.05 1.41 -0.26 -3.56 1.08 -1.99 -1.00 117.51 113.23 2elj h ILE 73 Ca -0.00 -1.25 0.02 0.00 -0.39 0.00 0.00 64.86 63.24 2elj h ILE 73 Cb 0.87 2.22 -0.02 0.00 -3.07 0.00 0.00 36.82 36.81 2elj h ILE 73 CO 0.07 0.33 0.11 0.11 -0.69 0.00 0.00 178.15 178.08 2elj h LYS 74 N -0.46 0.24 -0.19 2.37 1.57 -1.91 -2.46 116.57 115.73 2elj h LYS 74 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2elj h LYS 74 Cb 0.55 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2elj h LYS 74 CO 0.01 0.16 0.08 0.00 -0.57 0.00 0.00 179.45 179.13 2elj h ALA 75 N 1.15 0.24 -0.27 3.86 0.00 -1.54 -2.63 119.26 120.06 2elj h ALA 75 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2elj h ALA 75 Cb 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2elj h ALA 75 CO -0.09 -0.17 -0.51 -0.97 0.00 0.00 0.00 179.25 177.50 2elj h ASN 76 N 0.16 -1.68 0.06 0.00 -1.24 -0.94 0.98 115.58 112.92 2elj h ASN 76 Ca 0.06 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.29 2elj h ASN 76 Cb 0.16 0.67 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 2elj h ASN 76 CO -0.01 -0.41 -0.13 0.03 -1.29 0.00 0.00 177.43 175.63 2elj h ARG 77 N -0.44 -0.20 -0.99 6.67 2.47 -1.44 -1.77 114.38 118.68 2elj h ARG 77 Ca 0.05 0.01 0.33 0.00 -1.26 0.00 0.00 59.98 59.12 2elj h ARG 77 Cb 0.58 0.05 -0.18 0.00 -1.65 0.00 0.00 29.97 28.77 2elj h ARG 77 CO -0.49 -0.13 0.25 -0.89 0.56 0.00 0.00 179.97 179.26 2elj n ILE 78 N -3.16 -0.41 0.26 2.04 5.41 -1.00 -0.45 119.36 122.05 2elj n ILE 78 Ca -0.02 2.10 -0.13 0.00 1.00 0.00 0.00 62.75 65.70 2elj n ILE 78 Cb 0.11 -3.21 -0.06 0.00 -0.71 0.00 0.00 39.64 35.77 2elj n ILE 78 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2elj h TYR 79 N 0.00 -0.86 -0.59 1.39 5.03 -0.14 0.26 116.97 122.06 2elj h TYR 79 Ca 0.70 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 62.11 2elj h TYR 79 Cb 1.67 0.31 -0.08 0.00 1.55 0.00 0.00 36.73 40.18 2elj h TYR 79 CO -0.29 -0.47 0.18 0.22 -1.32 0.00 0.00 178.16 176.49 2elj h ASP 80 N -0.76 0.13 0.23 -2.11 1.82 -0.17 -2.36 116.42 113.19 2elj h ASP 80 Ca -0.06 0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2elj h ASP 80 Cb 0.61 0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.68 2elj h ASP 80 CO 0.05 0.08 -0.39 0.15 -1.61 0.00 0.00 179.24 177.52 2elj h PHE 81 N 0.34 -1.09 -0.48 0.28 3.04 -0.62 -1.80 116.94 116.62 2elj h PHE 81 Ca 0.30 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.36 2elj h PHE 81 Cb 0.41 0.45 -0.10 0.00 2.56 0.00 0.00 35.95 39.27 2elj h PHE 81 CO -0.20 -0.51 -0.39 0.74 -2.02 0.00 0.00 178.31 175.93 2elj h PHE 82 N -0.70 -1.12 -1.00 0.41 -1.00 -0.49 0.15 116.94 113.19 2elj h PHE 82 Ca 0.00 0.07 0.19 0.00 2.81 0.00 0.00 57.97 61.04 2elj h PHE 82 Cb 0.68 0.56 -0.11 0.00 3.61 0.00 0.00 35.95 40.69 2elj h PHE 82 CO -0.30 -0.41 0.61 1.96 -1.61 0.00 0.00 178.31 178.56 2elj h GLN 83 N -0.26 0.73 -0.90 1.51 4.20 -1.16 -1.21 115.11 118.02 2elj h GLN 83 Ca 0.17 -0.04 0.22 0.00 0.06 0.00 0.00 58.65 59.06 2elj h GLN 83 Cb 0.56 -0.17 -0.16 0.00 0.30 0.00 0.00 27.48 28.02 2elj h GLN 83 CO -0.61 0.48 -0.02 1.03 -0.67 0.00 0.00 178.83 179.04 2elj h SER 84 N 0.76 -0.50 -0.20 1.46 0.87 0.18 0.99 113.55 117.11 2elj h SER 84 Ca 0.58 0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 61.27 2elj h SER 84 Cb 0.90 0.45 -0.06 0.00 -0.44 0.00 0.00 62.40 63.26 2elj h SER 84 CO -0.39 -0.28 0.15 0.00 -0.53 0.00 0.00 176.83 175.79 2elj n GLN 85 N -5.45 1.29 -4.16 2.24 1.13 -0.46 -4.80 117.38 107.16 2elj n GLN 85 Ca 0.18 -0.62 -0.36 0.00 -1.94 0.00 0.00 57.00 54.26 2elj n GLN 85 Cb 0.60 -1.24 -0.07 0.00 0.11 0.00 0.00 30.24 29.64 2elj n GLN 85 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2elj n ASN 86 N 0.64 -1.26 0.01 1.08 2.85 0.34 -4.78 115.26 114.15 2elj n ASN 86 Ca 0.12 -1.10 -0.22 0.00 -0.11 0.00 0.00 54.58 53.27 2elj n ASN 86 Cb 0.62 -1.40 -0.14 0.00 1.24 0.00 0.00 39.78 40.10 2elj n ASN 86 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2elj h TRP 87 N -0.86 0.49 -0.02 1.20 6.55 -1.61 -3.50 115.95 118.20 2elj h TRP 87 Ca -0.53 -0.36 0.00 0.00 0.95 0.00 0.00 58.89 58.95 2elj h TRP 87 Cb 1.22 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 2elj h TRP 87 CO 0.60 1.67 0.00 -1.33 -1.05 0.00 0.00 178.44 178.33