#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 -3.96 0.07 1.61 2.88 -1.26 -4.91 113.62 108.05 2elj n SER 2 Ca 0.00 -0.81 -0.04 0.00 -1.33 0.00 0.00 58.87 56.69 2elj n SER 2 Cb 0.00 -3.79 -0.02 0.00 -0.75 0.00 0.00 64.21 59.65 2elj n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2elj h SER 3 N -2.01 -0.22 0.00 -3.46 0.02 -2.14 -3.50 113.55 102.24 2elj h SER 3 Ca -0.59 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2elj h SER 3 Cb 1.37 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2elj h SER 3 CO 0.66 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2elj n GLY 4 N 1.09 -0.13 3.05 -3.77 0.00 -1.26 -4.95 105.19 99.22 2elj n GLY 4 Ca -0.03 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 2elj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2elj s SER 5 N -4.00 -0.19 0.26 1.61 0.01 -1.26 -5.17 113.70 104.96 2elj s SER 5 Ca 0.00 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.66 2elj s SER 5 Cb 0.00 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 2elj s SER 5 CO 0.00 -0.09 0.23 -0.44 0.41 0.00 0.00 173.24 173.35 2elj s SER 6 N 0.42 0.72 -0.06 2.44 0.01 -1.26 -5.11 113.70 110.85 2elj s SER 6 Ca -0.03 -1.49 -0.09 0.00 1.31 0.00 0.00 55.95 55.65 2elj s SER 6 Cb -0.04 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.64 2elj s SER 6 CO -0.02 -0.98 -0.17 0.61 0.41 0.00 0.00 173.24 173.09 2elj n GLY 7 N -0.42 -0.33 3.56 3.44 0.00 -1.26 -5.12 105.19 105.06 2elj n GLY 7 Ca 0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2elj n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2elj s ASN 8 N -5.61 -0.19 -0.16 1.61 2.47 -1.26 -5.15 114.94 106.65 2elj s ASN 8 Ca -0.14 -0.64 -0.17 0.00 0.42 0.00 0.00 52.86 52.33 2elj s ASN 8 Cb 0.02 0.59 -0.04 0.00 -1.45 0.00 0.00 41.25 40.37 2elj s ASN 8 CO 0.21 -1.10 0.42 -0.32 -3.72 0.00 0.00 177.10 172.59 2elj s MET 9 N -3.92 4.26 0.28 0.43 -2.45 -1.26 -5.08 119.30 111.55 2elj s MET 9 Ca 0.13 0.29 0.08 0.00 -1.25 0.00 0.00 55.69 54.95 2elj s MET 9 Cb -0.01 -3.48 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 2elj s MET 9 CO 0.02 0.08 0.10 0.99 1.05 0.00 0.00 175.02 177.26 2elj s THR 10 N 0.91 3.70 -0.14 10.11 2.01 -1.26 -5.06 115.64 125.90 2elj s THR 10 Ca 0.21 -1.68 -0.24 0.00 0.31 0.00 0.00 61.69 60.29 2elj s THR 10 Cb -0.15 -3.06 -0.22 0.00 0.01 0.00 0.00 72.50 69.08 2elj s THR 10 CO 0.08 -0.32 0.61 0.40 -0.69 0.00 0.00 174.62 174.69 2elj h ILE 11 N 1.66 1.46 -0.74 1.82 1.08 -1.95 -3.34 117.51 117.51 2elj h ILE 11 Ca -0.45 -2.14 0.30 0.00 -0.39 0.00 0.00 64.86 62.18 2elj h ILE 11 Cb 1.25 2.80 -0.13 0.00 -3.07 0.00 0.00 36.82 37.66 2elj h ILE 11 CO 0.61 0.49 0.37 -1.20 -0.69 0.00 0.00 178.15 177.73 2elj n SER 12 N -4.62 0.23 -0.06 1.72 7.64 -1.26 0.21 113.62 117.49 2elj n SER 12 Ca -0.11 1.23 -0.09 0.00 1.01 0.00 0.00 58.87 60.92 2elj n SER 12 Cb 0.43 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 2elj n SER 12 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2elj h ASP 13 N 0.00 0.10 -0.07 6.43 3.32 -1.95 -0.00 116.42 124.25 2elj h ASP 13 Ca 0.61 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.70 2elj h ASP 13 Cb 1.60 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 41.16 2elj h ASP 13 CO -0.58 0.09 0.08 0.40 -1.72 0.00 0.00 179.24 177.51 2elj h ILE 14 N 0.20 0.52 0.00 0.35 2.04 0.24 0.16 117.51 121.02 2elj h ILE 14 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 2elj h ILE 14 Cb 0.06 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2elj h ILE 14 CO -0.10 0.00 -0.96 1.56 0.00 0.00 0.00 178.15 178.66 2elj h GLN 15 N 0.00 0.00 -0.98 2.37 4.20 -0.90 -3.31 115.11 116.49 2elj h GLN 15 Ca 0.03 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.34 2elj h GLN 15 Cb 0.18 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.73 2elj h GLN 15 CO -0.00 0.20 0.50 0.72 -0.67 0.00 0.00 178.83 179.58 2elj n HIS 16 N -2.90 2.47 -4.23 2.96 8.25 0.03 -4.93 115.22 116.87 2elj n HIS 16 Ca -0.03 -1.54 -0.33 0.00 -0.26 0.00 0.00 57.72 55.56 2elj n HIS 16 Cb 0.69 -0.80 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 2elj n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2elj s ALA 17 N -2.68 3.40 0.12 -1.41 0.00 -1.13 -5.01 121.76 115.05 2elj s ALA 17 Ca 0.47 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 2elj s ALA 17 Cb 0.39 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 2elj s ALA 17 CO 0.09 0.65 1.45 -1.00 0.00 0.00 0.00 175.76 176.95 2elj h PRO 18 N 4.41 0.83 0.00 0.00 0.13 -1.92 -3.03 132.00 132.41 2elj h PRO 18 Ca -0.49 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 2elj h PRO 18 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2elj h PRO 18 CO 0.58 1.07 0.00 -0.44 -0.23 0.00 0.00 178.00 178.98 2elj h ASP 19 N 0.61 0.00 0.29 1.44 3.32 -1.96 -3.08 116.42 117.03 2elj h ASP 19 Ca 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2elj h ASP 19 Cb 0.91 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 2elj h ASP 19 CO 0.08 0.00 -0.01 0.22 -1.72 0.00 0.00 179.24 177.81 2elj h TYR 20 N 0.00 0.00 0.00 4.55 3.20 -1.81 -1.27 116.97 121.64 2elj h TYR 20 Ca 0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2elj h TYR 20 Cb 0.80 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2elj h TYR 20 CO 0.00 0.01 -0.48 0.00 -1.64 0.00 0.00 178.16 176.05 2elj h ALA 21 N 1.99 0.93 0.00 1.82 0.00 -1.65 -2.96 119.26 119.39 2elj h ALA 21 Ca -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2elj h ALA 21 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2elj h ALA 21 CO 0.00 0.60 -0.30 1.37 0.00 0.00 0.00 179.25 180.92 2elj h LEU 22 N 0.00 0.00 -9.86 0.00 8.10 -1.42 -3.44 115.31 108.68 2elj h LEU 22 Ca -0.00 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.45 2elj h LEU 22 Cb 1.03 0.00 0.08 0.00 -0.44 0.00 0.00 40.66 41.34 2elj h LEU 22 CO 0.06 0.30 0.76 -0.76 -4.11 0.00 0.00 178.44 174.70 2elj s LEU 23 N -7.16 4.36 0.82 0.17 1.43 -1.12 -4.99 118.68 112.20 2elj s LEU 23 Ca -0.01 2.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 2elj s LEU 23 Cb 0.12 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.77 2elj s LEU 23 CO 0.66 -0.77 1.09 -0.55 0.23 0.00 0.00 176.35 177.01 2elj s SER 24 N -0.00 4.15 0.27 2.29 0.15 -1.26 -4.66 113.70 114.64 2elj s SER 24 Ca 0.55 1.58 -0.04 0.00 0.70 0.00 0.00 55.95 58.73 2elj s SER 24 Cb -0.44 -2.29 0.54 0.00 -1.71 0.00 0.00 66.02 62.12 2elj s SER 24 CO 0.54 -2.22 1.60 -0.55 1.20 0.00 0.00 173.24 173.81 2elj h ASN 25 N -1.26 -0.49 0.50 5.45 7.08 -1.96 0.43 115.58 125.33 2elj h ASN 25 Ca -0.47 0.24 -0.02 0.00 -3.08 0.00 0.00 56.30 52.97 2elj h ASN 25 Cb 1.26 0.44 0.00 0.00 -2.08 0.00 0.00 38.32 37.94 2elj h ASN 25 CO 0.54 -0.26 -0.24 0.44 -2.08 0.00 0.00 177.43 175.83 2elj h ASP 26 N 0.05 -0.57 -0.97 6.14 3.32 -2.01 -3.13 116.42 119.25 2elj h ASP 26 Ca 0.48 0.02 0.29 0.00 0.02 0.00 0.00 57.03 57.84 2elj h ASP 26 Cb 0.88 0.15 -0.18 0.00 0.22 0.00 0.00 39.33 40.40 2elj h ASP 26 CO -0.81 -0.23 0.10 -0.62 -1.72 0.00 0.00 179.24 175.96 2elj n GLU 27 N -4.81 -0.07 -0.08 3.56 1.02 -0.78 0.78 120.64 120.24 2elj n GLU 27 Ca -0.08 1.43 -0.07 0.00 -0.02 0.00 0.00 57.16 58.42 2elj n GLU 27 Cb 0.27 -2.32 -0.00 0.00 -0.02 0.00 0.00 31.44 29.37 2elj n GLU 27 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2elj h GLN 28 N 0.00 0.06 0.08 3.49 4.20 -0.96 -1.85 115.11 120.14 2elj h GLN 28 Ca 0.62 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.35 2elj h GLN 28 Cb 1.36 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.08 2elj h GLN 28 CO -0.88 0.04 -0.48 1.96 -0.67 0.00 0.00 178.83 178.80 2elj h GLN 29 N 0.06 -0.66 -0.05 1.46 1.08 0.42 -2.40 115.11 115.02 2elj h GLN 29 Ca 0.15 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 2elj h GLN 29 Cb 0.20 0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 2elj h GLN 29 CO -0.27 -0.44 -0.43 1.25 -0.95 0.00 0.00 178.83 177.99 2elj h LEU 30 N -0.69 -1.34 -0.88 1.46 5.85 -1.22 -1.19 115.31 117.30 2elj h LEU 30 Ca 0.01 0.15 0.24 0.00 0.84 0.00 0.00 57.88 59.13 2elj h LEU 30 Cb 0.72 0.52 -0.16 0.00 0.37 0.00 0.00 40.66 42.10 2elj h LEU 30 CO -0.29 -0.40 0.02 0.00 -0.34 0.00 0.00 178.44 177.43 2elj h ILE 32 N 0.00 0.59 0.00 0.00 2.04 -0.73 0.77 117.51 120.18 2elj h ILE 32 Ca 0.53 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 66.22 2elj h ILE 32 Cb 1.10 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2elj h ILE 32 CO -0.82 0.04 -0.21 1.56 0.00 0.00 0.00 178.15 178.72 2elj h GLN 33 N -0.67 -0.32 0.00 2.37 1.08 0.62 0.11 115.11 118.30 2elj h GLN 33 Ca -0.06 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2elj h GLN 33 Cb 0.49 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2elj h GLN 33 CO 0.09 -0.21 0.00 1.28 -0.95 0.00 0.00 178.83 179.04 2elj n LEU 34 N -5.33 0.00 -3.39 1.46 4.77 0.66 -4.87 117.00 110.29 2elj n LEU 34 Ca -0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.70 2elj n LEU 34 Cb 0.25 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2elj n LEU 34 CO 0.24 0.00 -0.05 2.29 -1.33 0.00 0.00 177.39 178.54 2elj n LYS 35 N -0.79 -3.05 -3.38 3.23 2.85 0.18 -4.93 118.16 112.26 2elj n LYS 35 Ca 0.13 0.40 -0.22 0.00 -1.05 0.00 0.00 58.31 57.57 2elj n LYS 35 Cb 0.06 -5.07 -0.01 0.00 -0.65 0.00 0.00 35.03 29.36 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 -2.88 4.63 0.18 0.58 1.01 0.21 -4.98 121.20 119.96 2elj s ILE 36 Ca 0.40 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2elj s ILE 36 Cb -0.22 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2elj s ILE 36 CO 0.50 -0.38 0.23 -0.76 0.00 0.00 0.00 174.94 174.52 2elj s LEU 37 N -4.30 4.08 0.26 2.97 1.43 -1.26 -4.56 118.68 117.30 2elj s LEU 37 Ca 0.42 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2elj s LEU 37 Cb -0.10 -2.65 0.35 0.00 0.03 0.00 0.00 46.19 43.83 2elj s LEU 37 CO 0.34 0.03 1.65 1.55 0.23 0.00 0.00 176.35 180.15 2elj h PRO 38 N 2.00 0.32 0.72 1.29 0.13 -1.92 -1.09 132.00 133.45 2elj h PRO 38 Ca -0.49 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.44 2elj h PRO 38 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2elj h PRO 38 CO 0.64 0.71 -0.41 -0.22 -0.23 0.00 0.00 178.00 178.49 2elj h LYS 39 N 0.27 -1.02 -0.13 0.86 3.64 -1.95 -2.19 116.57 116.04 2elj h LYS 39 Ca 0.02 0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2elj h LYS 39 Cb 0.89 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2elj h LYS 39 CO 0.07 -0.68 -0.13 -1.00 -2.27 0.00 0.00 179.45 175.44 2elj h PRO 40 N -1.06 0.33 -1.03 1.90 0.13 -1.99 -2.84 132.00 127.44 2elj h PRO 40 Ca -0.09 -0.17 0.27 0.00 -0.87 0.00 0.00 66.00 65.13 2elj h PRO 40 Cb 0.84 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.90 2elj h PRO 40 CO 0.11 0.72 0.68 -0.92 -0.23 0.00 0.00 178.00 178.36 2elj h TYR 41 N -0.05 0.50 0.09 1.56 5.03 -1.23 -1.22 116.97 121.64 2elj h TYR 41 Ca 0.02 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2elj h TYR 41 Cb 0.66 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.79 2elj h TYR 41 CO 0.08 0.06 -0.04 -0.07 -1.32 0.00 0.00 178.16 176.87 2elj h LEU 42 N 0.31 -0.10 -0.91 2.82 3.38 -1.34 -0.47 115.31 119.01 2elj h LEU 42 Ca 0.56 -0.50 0.25 0.00 0.09 0.00 0.00 57.88 58.28 2elj h LEU 42 Cb 1.57 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 42.21 2elj h LEU 42 CO -0.22 0.55 0.38 0.58 0.09 0.00 0.00 178.44 179.82 2elj h VAL 43 N -0.86 0.38 0.12 1.22 2.07 -1.02 0.21 116.25 118.37 2elj h VAL 43 Ca -0.01 -0.11 -0.27 0.00 0.82 0.00 0.00 66.70 67.12 2elj h VAL 43 Cb 0.59 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2elj h VAL 43 CO 0.02 0.06 -1.25 0.17 0.02 0.00 0.00 177.57 176.59 2elj h LEU 44 N 0.32 0.40 -0.89 2.57 8.10 -1.38 -3.30 115.31 121.13 2elj h LEU 44 Ca 0.59 -0.44 0.07 0.00 0.11 0.00 0.00 57.88 58.22 2elj h LEU 44 Cb 1.20 -0.13 -0.07 0.00 -0.44 0.00 0.00 40.66 41.23 2elj h LEU 44 CO -0.59 1.34 0.55 0.50 -4.11 0.00 0.00 178.44 176.14 2elj h LYS 45 N 0.07 0.96 -0.65 0.17 3.64 0.11 -1.37 116.57 119.49 2elj h LYS 45 Ca -0.14 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2elj h LYS 45 Cb 1.97 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.54 2elj h LYS 45 CO 0.20 0.63 0.29 0.93 -2.27 0.00 0.00 179.45 179.23 2elj h GLU 46 N 0.98 0.93 0.67 1.90 4.39 -1.15 -3.07 114.58 119.24 2elj h GLU 46 Ca 0.40 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 2elj h GLU 46 Cb 0.22 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2elj h GLU 46 CO -0.19 0.74 -0.35 0.28 -1.16 0.00 0.00 179.01 178.33 2elj h VAL 47 N 0.93 0.28 -0.93 3.13 2.07 -1.34 -2.36 116.25 118.03 2elj h VAL 47 Ca 0.22 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.91 2elj h VAL 47 Cb 0.14 0.28 -0.17 0.00 -1.52 0.00 0.00 31.29 30.02 2elj h VAL 47 CO -0.03 0.00 -0.30 0.24 0.02 0.00 0.00 177.57 177.51 2elj h MET 48 N -0.94 -0.01 0.43 1.57 2.86 -1.39 0.29 114.93 117.74 2elj h MET 48 Ca -0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2elj h MET 48 Cb 0.74 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2elj h MET 48 CO 0.13 -0.01 -0.38 0.74 1.06 0.00 0.00 176.91 178.45 2elj h PHE 49 N -0.01 -1.03 0.31 -0.22 0.04 -1.49 0.41 116.94 114.94 2elj h PHE 49 Ca 0.40 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.17 2elj h PHE 49 Cb 0.64 0.39 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 2elj h PHE 49 CO -0.77 -0.54 -0.48 0.00 -0.60 0.00 0.00 178.31 175.91 2elj h ARG 50 N -0.82 -0.80 -0.29 1.51 -0.00 -0.46 0.22 114.38 113.74 2elj h ARG 50 Ca -0.04 0.05 0.08 0.00 -0.50 0.00 0.00 59.98 59.58 2elj h ARG 50 Cb 0.72 0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.86 2elj h ARG 50 CO -0.03 -0.54 0.25 1.49 0.00 0.00 0.00 179.97 181.14 2elj h GLU 51 N -0.83 0.00 0.17 0.04 4.57 -0.49 0.25 114.58 118.29 2elj h GLU 51 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2elj h GLU 51 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2elj h GLU 51 CO -0.16 0.00 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.52 2elj h LEU 52 N 0.00 -0.20 -1.28 1.64 3.38 0.12 -1.96 115.31 117.01 2elj h LEU 52 Ca 0.14 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2elj h LEU 52 Cb 0.63 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2elj h LEU 52 CO -0.00 -0.01 0.53 0.17 0.09 0.00 0.00 178.44 179.22 2elj h LEU 53 N -0.50 0.76 -0.33 1.67 8.10 -0.44 0.74 115.31 125.31 2elj h LEU 53 Ca -0.02 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 2elj h LEU 53 Cb 0.18 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.23 2elj h LEU 53 CO 0.04 0.48 0.14 0.50 -4.11 0.00 0.00 178.44 175.50 2elj h LYS 54 N 0.86 0.48 -1.04 0.17 3.11 -0.61 -2.52 116.57 117.02 2elj h LYS 54 Ca 0.35 -0.08 -0.27 0.00 -2.81 0.00 0.00 60.65 57.84 2elj h LYS 54 Cb 0.26 -0.08 -0.16 0.00 -1.00 0.00 0.00 32.23 31.26 2elj h LYS 54 CO -0.13 0.46 0.34 0.25 -2.81 0.00 0.00 179.45 177.57 2elj n THR 55 N -4.74 2.17 -4.04 1.00 -2.24 -0.74 -4.89 114.28 100.81 2elj n THR 55 Ca -0.01 -1.02 -0.36 0.00 -2.27 0.00 0.00 64.05 60.38 2elj n THR 55 Cb 0.12 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.56 2elj n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2elj n GLY 56 N -0.28 -0.51 3.22 3.38 0.00 -0.91 -2.00 105.19 108.09 2elj n GLY 56 Ca 0.30 0.24 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.07 -1.25 2.27 -0.02 0.00 0.19 -4.96 105.19 99.35 2elj n GLY 57 Ca -0.15 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 2elj n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2elj n ASN 58 N -1.92 2.99 -4.85 1.61 5.15 -0.85 -5.07 115.26 112.32 2elj n ASN 58 Ca -0.07 -2.88 -0.31 0.00 -0.60 0.00 0.00 54.58 50.72 2elj n ASN 58 Cb 0.54 -0.41 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 2elj n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2elj s LEU 59 N -3.45 4.11 0.17 1.20 2.96 -1.26 -5.06 118.68 117.35 2elj s LEU 59 Ca 0.38 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 2elj s LEU 59 Cb 0.37 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2elj s LEU 59 CO -0.02 0.19 0.12 -0.44 -1.32 0.00 0.00 176.35 174.88 2elj s SER 60 N -2.33 0.20 0.21 3.68 0.01 -1.26 -5.00 113.70 109.20 2elj s SER 60 Ca 0.31 -1.28 -0.10 0.00 1.31 0.00 0.00 55.95 56.19 2elj s SER 60 Cb -0.13 0.36 0.27 0.00 0.21 0.00 0.00 66.02 66.73 2elj s SER 60 CO 0.23 -0.81 1.74 0.50 0.41 0.00 0.00 173.24 175.31 2elj h LYS 61 N 2.70 0.37 0.28 12.44 3.64 -1.99 0.37 116.57 134.39 2elj h LYS 61 Ca -0.35 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2elj h LYS 61 Cb 1.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2elj h LYS 61 CO 0.55 0.24 -0.14 0.77 -2.27 0.00 0.00 179.45 178.61 2elj h SER 62 N 0.38 -0.32 -1.15 4.20 0.02 -1.96 -3.18 113.55 111.53 2elj h SER 62 Ca 0.30 0.01 0.32 0.00 -0.84 0.00 0.00 61.79 61.59 2elj h SER 62 Cb 0.39 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 2elj h SER 62 CO -0.32 -0.12 0.79 0.00 -1.14 0.00 0.00 176.83 176.04 2elj h ALA 63 N -1.61 2.74 -0.17 3.77 0.00 -1.95 0.34 119.26 122.38 2elj h ALA 63 Ca -0.04 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2elj h ALA 63 Cb 0.29 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2elj h ALA 63 CO 0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 179.25 178.07 2elj h ARG 65 N -0.11 0.00 -0.12 0.00 0.11 -0.92 -2.47 114.38 110.88 2elj h ARG 65 Ca 0.10 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.09 2elj h ARG 65 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2elj h ARG 65 CO -0.23 0.17 -0.26 1.49 0.10 0.00 0.00 179.97 181.24 2elj h GLU 66 N 0.00 0.39 0.42 0.08 4.81 -0.94 -3.31 114.58 116.02 2elj h GLU 66 Ca -0.00 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2elj h GLU 66 Cb 0.32 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2elj h GLU 66 CO 0.02 0.86 -0.24 1.25 -0.73 0.00 0.00 179.01 180.17 2elj h LEU 67 N -0.04 -0.60 -9.88 1.64 5.85 -0.61 -3.42 115.31 108.25 2elj h LEU 67 Ca 0.00 0.03 -0.47 0.00 0.84 0.00 0.00 57.88 58.28 2elj h LEU 67 Cb 0.86 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2elj h LEU 67 CO 0.06 -0.39 0.35 -0.76 -0.34 0.00 0.00 178.44 177.35 2elj s LEU 68 N -10.13 4.35 -1.31 2.25 1.43 -0.96 -4.97 118.68 109.35 2elj s LEU 68 Ca -0.16 1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 2elj s LEU 68 Cb 0.05 -3.99 0.13 0.00 0.03 0.00 0.00 46.19 42.41 2elj s LEU 68 CO 0.63 -0.07 2.26 0.59 0.23 0.00 0.00 176.35 179.99 2elj n ASN 69 N 0.60 7.34 -2.77 2.29 4.13 -1.26 -4.79 115.26 120.81 2elj n ASN 69 Ca 0.02 -3.14 -0.15 0.00 1.68 0.00 0.00 54.58 52.99 2elj n ASN 69 Cb 0.50 -1.39 -0.05 0.00 -1.54 0.00 0.00 39.78 37.30 2elj n ASN 69 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2elj n ILE 70 N 2.10 0.00 -1.54 2.41 -5.35 -1.26 -5.15 119.36 110.58 2elj n ILE 70 Ca 0.57 -1.58 -0.33 0.00 -0.27 0.00 0.00 62.75 61.15 2elj n ILE 70 Cb 0.27 0.67 0.07 0.00 -1.74 0.00 0.00 39.64 38.92 2elj n ILE 70 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2elj s ASP 71 N -2.59 4.69 0.39 7.28 1.01 -1.26 -4.91 116.67 121.29 2elj s ASP 71 Ca 0.19 2.04 0.18 0.00 0.71 0.00 0.00 52.55 55.68 2elj s ASP 71 Cb 0.01 -2.55 0.80 0.00 1.01 0.00 0.00 42.92 42.18 2elj s ASP 71 CO 0.14 -1.92 1.80 1.55 0.21 0.00 0.00 175.17 176.96 2elj h PRO 72 N -0.37 0.00 0.04 8.23 0.13 -1.98 -2.54 132.00 135.52 2elj h PRO 72 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 2elj h PRO 72 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 2elj h PRO 72 CO 0.52 0.35 -1.01 0.82 -0.23 0.00 0.00 178.00 178.45 2elj h ILE 73 N 0.00 1.32 0.33 -3.56 1.08 -1.98 -2.97 117.51 111.72 2elj h ILE 73 Ca -0.00 -2.29 -0.02 0.00 -0.39 0.00 0.00 64.86 62.16 2elj h ILE 73 Cb 0.76 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 2elj h ILE 73 CO 0.05 0.69 -0.16 0.11 -0.69 0.00 0.00 178.15 178.15 2elj h LYS 74 N 0.23 -0.42 -0.05 2.37 1.57 -1.93 -2.69 116.57 115.65 2elj h LYS 74 Ca -0.14 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2elj h LYS 74 Cb 1.69 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.09 2elj h LYS 74 CO 0.20 -0.13 0.14 0.00 -0.57 0.00 0.00 179.45 179.08 2elj h ALA 75 N -0.15 1.33 0.00 3.86 0.00 -1.59 0.27 119.26 122.97 2elj h ALA 75 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2elj h ALA 75 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2elj h ALA 75 CO 0.07 -0.16 -0.14 -0.91 0.00 0.00 0.00 179.25 178.12 2elj h ASN 76 N 0.00 0.00 0.00 0.00 2.35 -1.31 -3.10 115.58 113.52 2elj h ASN 76 Ca 0.02 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.49 2elj h ASN 76 Cb 0.29 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 2elj h ASN 76 CO -0.00 0.12 -1.51 -1.14 -1.65 0.00 0.00 177.43 173.25 2elj n ARG 77 N -3.12 0.57 -0.18 0.81 3.00 0.82 -4.18 116.66 114.38 2elj n ARG 77 Ca 0.03 0.51 -0.01 0.00 -0.00 0.00 0.00 57.85 58.39 2elj n ARG 77 Cb 0.58 -1.70 0.09 0.00 0.00 0.00 0.00 32.46 31.42 2elj n ARG 77 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2elj h ILE 78 N -0.97 0.73 -0.59 5.15 2.04 -1.37 -2.03 117.51 120.46 2elj h ILE 78 Ca -0.42 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.46 2elj h ILE 78 Cb 1.38 0.40 -0.12 0.00 -0.74 0.00 0.00 36.82 37.75 2elj h ILE 78 CO -0.24 0.05 -0.23 0.22 0.00 0.00 0.00 178.15 177.95 2elj h TYR 79 N 0.30 -0.59 -0.78 1.37 5.03 -1.74 0.20 116.97 120.76 2elj h TYR 79 Ca 0.28 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.65 2elj h TYR 79 Cb 0.37 0.35 -0.04 0.00 1.55 0.00 0.00 36.73 38.96 2elj h TYR 79 CO -0.21 -0.32 0.49 0.22 -1.32 0.00 0.00 178.16 177.02 2elj h ASP 80 N -0.09 0.92 -0.59 -2.11 1.82 -1.55 -2.56 116.42 112.26 2elj h ASP 80 Ca 0.27 -0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.98 2elj h ASP 80 Cb 0.51 -0.23 -0.08 0.00 0.68 0.00 0.00 39.33 40.20 2elj h ASP 80 CO -0.65 0.69 0.14 0.15 -1.61 0.00 0.00 179.24 177.96 2elj h PHE 81 N 1.07 0.23 -0.09 0.28 3.57 -0.09 -1.86 116.94 120.05 2elj h PHE 81 Ca 0.28 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.83 2elj h PHE 81 Cb -0.08 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2elj h PHE 81 CO 0.00 -0.01 0.03 0.74 -2.23 0.00 0.00 178.31 176.84 2elj h PHE 82 N 0.28 0.06 -1.19 0.41 -1.00 -1.02 -2.00 116.94 112.47 2elj h PHE 82 Ca 0.31 0.00 0.34 0.00 2.81 0.00 0.00 57.97 61.44 2elj h PHE 82 Cb 0.45 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.93 2elj h PHE 82 CO -0.23 0.03 0.83 1.96 -1.61 0.00 0.00 178.31 179.29 2elj h GLN 83 N 0.08 0.10 0.07 1.51 1.08 -1.24 -0.48 115.11 116.23 2elj h GLN 83 Ca 0.04 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2elj h GLN 83 Cb 0.02 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 2elj h GLN 83 CO -0.04 0.07 -0.39 0.77 -0.95 0.00 0.00 178.83 178.29 2elj h SER 84 N 0.10 -1.16 -0.41 1.46 0.02 -1.08 -1.24 113.55 111.24 2elj h SER 84 Ca 0.60 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.69 2elj h SER 84 Cb 2.16 0.44 0.00 0.00 0.14 0.00 0.00 62.40 65.15 2elj h SER 84 CO -0.10 -0.46 0.00 0.00 -1.14 0.00 0.00 176.83 175.13 2elj n GLN 85 N -5.45 2.43 -3.54 3.45 6.02 -0.32 -4.90 117.38 115.07 2elj n GLN 85 Ca -0.06 -1.68 -0.25 0.00 -0.01 0.00 0.00 57.00 55.00 2elj n GLN 85 Cb 0.36 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 2elj n GLN 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2elj n ASN 86 N 0.66 -2.87 0.29 1.08 3.02 -0.41 -4.77 115.26 112.27 2elj n ASN 86 Ca 0.15 -0.48 0.16 0.00 -0.03 0.00 0.00 54.58 54.39 2elj n ASN 86 Cb 0.51 -2.42 0.94 0.00 -0.61 0.00 0.00 39.78 38.20 2elj n ASN 86 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2elj h TRP 87 N -0.83 0.00 0.00 3.10 6.55 -1.79 -3.49 115.95 119.49 2elj h TRP 87 Ca -0.41 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.43 2elj h TRP 87 Cb 1.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.57 2elj h TRP 87 CO 0.71 0.00 0.00 -1.33 -1.05 0.00 0.00 178.44 176.77