#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 -0.21 0.17 1.61 0.01 -1.26 -5.13 113.70 108.88 2elj s SER 2 Ca 0.00 -0.68 -0.34 0.00 1.31 0.00 0.00 55.95 56.24 2elj s SER 2 Cb 0.00 0.67 -0.14 0.00 0.21 0.00 0.00 66.02 66.76 2elj s SER 2 CO 0.00 -1.25 1.56 -0.24 0.41 0.00 0.00 173.24 173.72 2elj n SER 3 N -0.42 3.04 -3.10 2.44 2.88 -1.26 -3.67 113.62 113.52 2elj n SER 3 Ca -0.04 1.09 -0.13 0.00 -1.33 0.00 0.00 58.87 58.46 2elj n SER 3 Cb 0.60 -1.42 0.01 0.00 -0.75 0.00 0.00 64.21 62.65 2elj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2elj n GLY 4 N 3.26 0.07 3.11 0.46 0.00 -1.26 -5.00 105.19 105.83 2elj n GLY 4 Ca 0.16 0.39 -0.07 0.00 0.00 0.00 0.00 46.02 46.50 2elj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2elj s SER 5 N -1.07 0.42 0.34 1.61 1.04 -1.24 -5.18 113.70 109.63 2elj s SER 5 Ca 0.13 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.67 2elj s SER 5 Cb -0.01 0.22 -0.07 0.00 0.10 0.00 0.00 66.02 66.26 2elj s SER 5 CO 0.29 -0.62 0.05 -0.44 0.98 0.00 0.00 173.24 173.51 2elj s SER 6 N -2.89 2.68 0.34 7.02 0.01 -1.26 -5.02 113.70 114.57 2elj s SER 6 Ca 0.06 -1.38 -0.14 0.00 1.31 0.00 0.00 55.95 55.81 2elj s SER 6 Cb 0.07 -0.15 -0.08 0.00 0.21 0.00 0.00 66.02 66.07 2elj s SER 6 CO -0.10 -0.58 0.73 -0.83 0.41 0.00 0.00 173.24 172.88 2elj s GLY 7 N -3.53 2.24 -0.43 3.44 0.00 -1.26 -5.02 107.32 102.76 2elj s GLY 7 Ca 0.36 -0.03 -0.28 0.00 0.00 0.00 0.00 44.72 44.78 2elj s GLY 7 CO 0.16 0.17 1.04 0.21 0.00 0.00 0.00 173.10 174.68 2elj s ASN 8 N -2.48 6.66 -0.18 1.64 2.47 -1.26 -5.01 114.94 116.77 2elj s ASN 8 Ca 0.53 0.51 -0.00 0.00 0.42 0.00 0.00 52.86 54.31 2elj s ASN 8 Cb -0.10 -2.51 0.01 0.00 -1.45 0.00 0.00 41.25 37.19 2elj s ASN 8 CO 0.21 -1.08 -0.15 -0.32 -3.72 0.00 0.00 177.10 172.04 2elj s MET 9 N 3.99 3.14 0.18 0.43 -2.45 -1.26 -5.12 119.30 118.22 2elj s MET 9 Ca 0.43 -0.76 0.09 0.00 -1.25 0.00 0.00 55.69 54.20 2elj s MET 9 Cb -0.09 -2.70 -0.04 0.00 1.25 0.00 0.00 34.83 33.25 2elj s MET 9 CO 0.25 -0.15 -0.07 0.95 1.05 0.00 0.00 175.02 177.05 2elj s THR 10 N 1.23 3.30 0.23 10.11 -4.23 -1.26 -5.03 115.64 119.99 2elj s THR 10 Ca 0.03 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 2elj s THR 10 Cb -0.14 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.27 2elj s THR 10 CO -0.07 -0.13 1.90 0.40 -0.54 0.00 0.00 174.62 176.18 2elj h ILE 11 N 2.64 1.22 -0.87 2.99 1.08 -1.97 -2.57 117.51 120.03 2elj h ILE 11 Ca -0.47 -0.41 0.23 0.00 -0.39 0.00 0.00 64.86 63.82 2elj h ILE 11 Cb 1.21 -0.09 -0.14 0.00 -3.07 0.00 0.00 36.82 34.72 2elj h ILE 11 CO 0.55 0.22 0.20 -1.28 -0.69 0.00 0.00 178.15 177.15 2elj h SER 12 N 1.20 -0.07 -0.73 1.72 0.87 -2.00 0.20 113.55 114.74 2elj h SER 12 Ca 0.33 0.20 0.16 0.00 -1.23 0.00 0.00 61.79 61.26 2elj h SER 12 Cb -0.12 0.29 -0.12 0.00 -0.44 0.00 0.00 62.40 62.01 2elj h SER 12 CO -0.08 -0.17 0.04 0.44 -0.53 0.00 0.00 176.83 176.53 2elj h ASP 13 N 0.18 -0.26 -0.31 6.23 3.32 -1.88 0.24 116.42 123.94 2elj h ASP 13 Ca 0.54 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.83 2elj h ASP 13 Cb 1.08 0.30 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 2elj h ASP 13 CO -0.67 -0.14 -0.04 0.40 -1.72 0.00 0.00 179.24 177.07 2elj h ILE 14 N 0.14 0.73 0.23 0.35 2.04 -0.74 -2.07 117.51 118.19 2elj h ILE 14 Ca 0.40 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.23 2elj h ILE 14 Cb 0.70 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2elj h ILE 14 CO -0.61 0.01 -0.11 1.56 0.00 0.00 0.00 178.15 179.00 2elj h GLN 15 N 0.05 -0.29 -0.98 2.37 7.50 -0.97 -3.00 115.11 119.78 2elj h GLN 15 Ca 0.15 0.02 0.33 0.00 0.50 0.00 0.00 58.65 59.65 2elj h GLN 15 Cb 0.22 0.07 -0.16 0.00 0.05 0.00 0.00 27.48 27.65 2elj h GLN 15 CO -0.28 -0.02 0.46 1.25 -1.50 0.00 0.00 178.83 178.73 2elj h HIS 16 N -0.55 0.72 -1.39 2.96 2.76 -0.39 -3.42 115.15 115.83 2elj h HIS 16 Ca -0.03 0.04 -0.68 0.00 -2.20 0.00 0.00 60.37 57.50 2elj h HIS 16 Cb 0.41 -0.15 0.09 0.00 1.55 0.00 0.00 27.41 29.31 2elj h HIS 16 CO 0.01 -0.30 -0.14 0.00 -1.30 0.00 0.00 177.93 176.19 2elj n ALA 17 N -2.43 -2.24 0.28 5.26 0.00 -0.80 -4.83 120.51 115.75 2elj n ALA 17 Ca 0.31 0.47 0.18 0.00 0.00 0.00 0.00 53.44 54.40 2elj n ALA 17 Cb 1.01 -1.79 0.71 0.00 0.00 0.00 0.00 19.45 19.39 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 2.07 0.00 -0.62 0.00 0.13 -1.89 -2.75 132.00 128.95 2elj h PRO 18 Ca -0.38 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.48 2elj h PRO 18 Cb 1.40 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.37 2elj h PRO 18 CO 0.62 0.00 0.23 -0.25 -0.23 0.00 0.00 178.00 178.37 2elj n ASP 19 N -3.08 3.45 -0.02 1.44 8.00 -1.26 -4.66 116.55 120.43 2elj n ASP 19 Ca 0.00 -3.55 -0.00 0.00 0.71 0.00 0.00 54.79 51.95 2elj n ASP 19 Cb 0.29 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2elj n ASP 19 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2elj h TYR 20 N 1.38 0.00 -0.72 1.24 3.20 -1.73 -3.37 116.97 116.97 2elj h TYR 20 Ca 0.34 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.40 2elj h TYR 20 Cb 2.15 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 40.29 2elj h TYR 20 CO 1.21 0.00 -0.01 0.00 -1.64 0.00 0.00 178.16 177.72 2elj n ALA 21 N -2.34 0.34 -0.30 1.82 0.00 -1.26 -0.21 120.51 118.56 2elj n ALA 21 Ca -0.01 0.77 -0.06 0.00 0.00 0.00 0.00 53.44 54.15 2elj n ALA 21 Cb 0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 2elj n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2elj n LEU 22 N -5.01 -0.68 -4.16 0.00 4.77 -1.26 -4.50 117.00 106.16 2elj n LEU 22 Ca 0.16 1.30 -0.38 0.00 -0.03 0.00 0.00 56.01 57.07 2elj n LEU 22 Cb 0.53 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2elj n LEU 22 CO -0.06 -1.10 -0.87 0.18 -1.33 0.00 0.00 177.39 174.21 2elj n LEU 23 N -4.98 -4.36 -4.96 2.23 4.77 0.70 -4.96 117.00 105.45 2elj n LEU 23 Ca 0.04 0.47 -0.26 0.00 -0.03 0.00 0.00 56.01 56.23 2elj n LEU 23 Cb 0.23 -0.83 0.12 0.00 -2.33 0.00 0.00 43.42 40.61 2elj n LEU 23 CO -0.11 -5.19 0.67 -0.44 -1.33 0.00 0.00 177.39 170.98 2elj s SER 24 N -1.02 4.08 0.14 -1.43 0.01 -1.26 -4.80 113.70 109.42 2elj s SER 24 Ca 0.51 0.04 -0.23 0.00 1.31 0.00 0.00 55.95 57.58 2elj s SER 24 Cb -0.37 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.47 2elj s SER 24 CO 0.72 -2.06 1.64 0.78 0.41 0.00 0.00 173.24 174.73 2elj h ASN 25 N -0.89 -0.70 0.70 2.44 2.35 -1.93 -0.04 115.58 117.50 2elj h ASN 25 Ca -0.41 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 2elj h ASN 25 Cb 1.27 0.32 0.01 0.00 0.05 0.00 0.00 38.32 39.97 2elj h ASN 25 CO 0.45 -0.27 -0.34 0.44 -1.65 0.00 0.00 177.43 176.06 2elj h ASP 26 N -0.27 -0.79 -0.95 5.81 3.32 -2.01 -3.06 116.42 118.47 2elj h ASP 26 Ca 0.11 0.01 0.26 0.00 0.02 0.00 0.00 57.03 57.43 2elj h ASP 26 Cb 0.43 0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.01 2elj h ASP 26 CO -0.32 -0.43 0.06 -0.33 -1.72 0.00 0.00 179.24 176.50 2elj h GLU 27 N -1.20 0.04 -0.02 3.56 3.07 -1.91 0.18 114.58 118.29 2elj h GLU 27 Ca -0.10 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2elj h GLU 27 Cb 0.74 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.59 2elj h GLU 27 CO 0.16 0.02 -0.30 1.96 -1.40 0.00 0.00 179.01 179.45 2elj h GLN 28 N 0.04 -0.42 -0.66 2.33 4.20 -0.96 -2.04 115.11 117.60 2elj h GLN 28 Ca 0.58 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.38 2elj h GLN 28 Cb 1.19 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.97 2elj h GLN 28 CO -0.87 -0.28 -0.56 1.96 -0.67 0.00 0.00 178.83 178.42 2elj h GLN 29 N -0.44 -0.20 -0.01 1.46 1.08 -0.55 -1.72 115.11 114.74 2elj h GLN 29 Ca 0.07 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 2elj h GLN 29 Cb 0.53 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 2elj h GLN 29 CO -0.27 -0.13 -0.44 1.25 -0.95 0.00 0.00 178.83 178.29 2elj h LEU 30 N -0.21 -1.37 -0.87 1.46 5.85 -1.32 -1.12 115.31 117.73 2elj h LEU 30 Ca 0.11 0.15 0.26 0.00 0.84 0.00 0.00 57.88 59.24 2elj h LEU 30 Cb 0.49 0.52 -0.16 0.00 0.37 0.00 0.00 40.66 41.88 2elj h LEU 30 CO -0.73 -0.43 0.09 0.00 -0.34 0.00 0.00 178.44 177.03 2elj h ILE 32 N 0.00 1.23 0.92 0.00 2.04 -0.40 0.77 117.51 122.07 2elj h ILE 32 Ca 0.56 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2elj h ILE 32 Cb 1.22 1.63 0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2elj h ILE 32 CO -0.80 0.19 -0.44 1.56 0.00 0.00 0.00 178.15 178.65 2elj h GLN 33 N -0.21 -1.19 0.00 2.37 4.20 0.15 -2.42 115.11 118.01 2elj h GLN 33 Ca 0.01 0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2elj h GLN 33 Cb 0.30 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2elj h GLN 33 CO 0.00 -0.79 0.00 1.28 -0.67 0.00 0.00 178.83 178.65 2elj n LEU 34 N -5.62 0.14 -3.43 1.46 4.77 0.97 -4.89 117.00 110.40 2elj n LEU 34 Ca -0.16 0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 56.15 2elj n LEU 34 Cb 0.49 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 2elj n LEU 34 CO 0.40 -0.28 0.19 0.29 -1.33 0.00 0.00 177.39 176.67 2elj n LYS 35 N -1.65 -7.23 -4.20 3.23 5.02 0.23 -5.00 118.16 108.55 2elj n LYS 35 Ca 0.04 0.81 -0.34 0.00 -2.02 0.00 0.00 58.31 56.79 2elj n LYS 35 Cb 0.21 -5.76 -0.08 0.00 -0.02 0.00 0.00 35.03 29.38 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 -3.32 4.58 0.50 -0.18 1.01 0.10 -4.99 121.20 118.90 2elj s ILE 36 Ca 0.36 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2elj s ILE 36 Cb -0.16 -3.02 -0.08 0.00 0.01 0.00 0.00 42.46 39.21 2elj s ILE 36 CO 0.70 0.47 0.98 -0.76 0.00 0.00 0.00 174.94 176.33 2elj s LEU 37 N -1.35 3.67 0.20 2.97 1.43 -1.26 -4.64 118.68 119.70 2elj s LEU 37 Ca 0.18 1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 54.83 2elj s LEU 37 Cb -0.12 -4.51 0.13 0.00 0.03 0.00 0.00 46.19 41.72 2elj s LEU 37 CO 0.08 -0.56 1.55 1.55 0.23 0.00 0.00 176.35 179.20 2elj h PRO 38 N 1.06 0.67 0.48 1.29 0.13 -1.84 -0.82 132.00 132.97 2elj h PRO 38 Ca -0.47 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.29 2elj h PRO 38 Cb 1.18 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2elj h PRO 38 CO 0.61 0.96 -0.52 -0.22 -0.23 0.00 0.00 178.00 178.61 2elj h LYS 39 N 0.55 -0.96 -0.21 0.86 1.63 -1.94 -1.18 116.57 115.31 2elj h LYS 39 Ca 0.04 0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.82 2elj h LYS 39 Cb 0.95 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2elj h LYS 39 CO 0.09 -0.64 -0.20 -1.00 -3.45 0.00 0.00 179.45 174.24 2elj h PRO 40 N -1.00 0.51 -0.72 1.90 0.13 -1.98 -3.06 132.00 127.78 2elj h PRO 40 Ca -0.06 -0.27 0.20 0.00 -0.87 0.00 0.00 66.00 65.01 2elj h PRO 40 Cb 0.88 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2elj h PRO 40 CO -0.08 0.85 0.51 -0.92 -0.23 0.00 0.00 178.00 178.13 2elj h TYR 41 N 0.19 0.03 0.01 1.56 5.03 -1.11 0.24 116.97 122.91 2elj h TYR 41 Ca 0.03 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.14 2elj h TYR 41 Cb 0.75 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 2elj h TYR 41 CO 0.08 0.01 -0.91 -0.07 -1.32 0.00 0.00 178.16 175.95 2elj h LEU 42 N 0.02 0.30 0.53 2.82 3.38 -1.11 -2.86 115.31 118.39 2elj h LEU 42 Ca 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2elj h LEU 42 Cb 1.34 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.00 2elj h LEU 42 CO -0.01 1.06 -0.25 0.58 0.09 0.00 0.00 178.44 179.91 2elj h VAL 43 N 0.12 0.31 -0.03 1.22 2.07 -0.48 -2.86 116.25 116.60 2elj h VAL 43 Ca -0.05 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2elj h VAL 43 Cb 1.54 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2elj h VAL 43 CO 0.14 0.05 0.04 0.17 0.02 0.00 0.00 177.57 177.99 2elj h LEU 44 N -1.02 0.00 0.32 2.57 8.10 -1.51 -2.45 115.31 121.32 2elj h LEU 44 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 2elj h LEU 44 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 2elj h LEU 44 CO 0.12 0.00 -0.15 0.50 -4.11 0.00 0.00 178.44 174.80 2elj h LYS 45 N 0.00 -0.41 -0.55 0.17 3.64 -1.35 -1.78 116.57 116.28 2elj h LYS 45 Ca 0.01 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2elj h LYS 45 Cb 0.09 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2elj h LYS 45 CO -0.00 -0.15 0.26 1.49 -2.27 0.00 0.00 179.45 178.78 2elj h GLU 46 N -0.64 0.78 -0.28 1.90 4.81 -1.23 -2.70 114.58 117.22 2elj h GLU 46 Ca -0.04 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2elj h GLU 46 Cb 0.46 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2elj h GLU 46 CO 0.07 0.61 0.15 0.28 -0.73 0.00 0.00 179.01 179.39 2elj h VAL 47 N 0.78 1.12 -0.47 0.32 2.07 -1.35 -1.06 116.25 117.66 2elj h VAL 47 Ca 0.19 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2elj h VAL 47 Cb 0.09 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2elj h VAL 47 CO -0.03 0.12 0.14 0.24 0.02 0.00 0.00 177.57 178.07 2elj h MET 48 N 0.34 0.28 -0.48 1.57 2.86 -1.00 -1.44 114.93 117.06 2elj h MET 48 Ca 0.10 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2elj h MET 48 Cb 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2elj h MET 48 CO -0.02 0.19 0.17 0.74 1.06 0.00 0.00 176.91 179.06 2elj h PHE 49 N 0.29 0.75 -0.09 -0.22 0.04 -1.32 0.06 116.94 116.46 2elj h PHE 49 Ca 0.23 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.96 2elj h PHE 49 Cb 0.26 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 2elj h PHE 49 CO -0.18 0.65 0.08 -0.09 -0.60 0.00 0.00 178.31 178.16 2elj h ARG 50 N 0.64 0.00 0.00 1.51 2.43 -0.52 -2.78 114.38 115.66 2elj h ARG 50 Ca 0.16 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2elj h ARG 50 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2elj h ARG 50 CO -0.01 0.00 -0.60 1.49 -1.51 0.00 0.00 179.97 179.34 2elj h GLU 51 N 0.00 0.00 -1.23 0.20 4.57 -0.70 -3.33 114.58 114.10 2elj h GLU 51 Ca 0.04 0.00 0.42 0.00 -1.18 0.00 0.00 59.36 58.64 2elj h GLU 51 Cb 0.20 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.65 2elj h GLU 51 CO -0.00 0.88 0.76 -0.07 -1.18 0.00 0.00 179.01 179.40 2elj h LEU 52 N -1.00 0.29 -0.55 1.64 3.38 -0.74 1.30 115.31 119.64 2elj h LEU 52 Ca -0.16 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2elj h LEU 52 Cb 1.05 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2elj h LEU 52 CO -0.10 -0.22 -0.14 0.17 0.09 0.00 0.00 178.44 178.25 2elj h LEU 53 N 0.10 1.03 -0.11 1.67 8.10 -1.64 0.70 115.31 125.16 2elj h LEU 53 Ca 0.81 -0.35 -0.14 0.00 0.11 0.00 0.00 57.88 58.31 2elj h LEU 53 Cb 2.40 -0.28 0.01 0.00 -0.44 0.00 0.00 40.66 42.35 2elj h LEU 53 CO -0.50 1.15 -0.48 0.50 -4.11 0.00 0.00 178.44 175.00 2elj h LYS 54 N 0.90 0.52 0.00 0.17 3.64 0.14 -3.22 116.57 118.72 2elj h LYS 54 Ca 0.13 -0.41 -0.12 0.00 -1.27 0.00 0.00 60.65 58.98 2elj h LYS 54 Cb 0.71 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2elj h LYS 54 CO 0.05 1.04 -0.58 1.79 -2.27 0.00 0.00 179.45 179.48 2elj h THR 55 N 0.12 1.22 -0.55 1.00 1.35 -0.63 -3.48 112.91 111.95 2elj h THR 55 Ca -0.03 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2elj h THR 55 Cb 1.12 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2elj h THR 55 CO 0.10 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 2elj n GLY 56 N 0.56 0.98 3.14 5.82 0.00 0.21 -4.06 105.19 111.84 2elj n GLY 56 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.34 2.38 2.40 -0.02 0.00 0.70 -4.86 105.19 105.44 2elj n GLY 57 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 0.98 6.24 -4.51 1.61 4.13 -1.26 -4.81 115.26 117.65 2elj n ASN 58 Ca 0.00 -2.40 -0.43 0.00 1.68 0.00 0.00 54.58 53.42 2elj n ASN 58 Cb 0.00 -1.27 -0.01 0.00 -1.54 0.00 0.00 39.78 36.96 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 0.11 4.47 0.64 3.41 2.96 -1.26 -4.95 118.68 124.05 2elj s LEU 59 Ca 0.53 -2.54 -0.17 0.00 -0.22 0.00 0.00 54.13 51.73 2elj s LEU 59 Cb 0.16 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 2elj s LEU 59 CO -0.04 -1.01 0.70 -0.24 -1.32 0.00 0.00 176.35 174.45 2elj n SER 60 N 7.05 -0.39 -0.30 3.68 2.88 -1.26 -4.71 113.62 120.56 2elj n SER 60 Ca 0.39 0.71 -0.04 0.00 -1.33 0.00 0.00 58.87 58.60 2elj n SER 60 Cb 0.45 -1.27 0.07 0.00 -0.75 0.00 0.00 64.21 62.72 2elj n SER 60 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2elj h LYS 61 N 0.09 1.11 -0.37 -1.46 1.63 -1.99 -1.51 116.57 114.07 2elj h LYS 61 Ca -0.47 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 59.31 2elj h LYS 61 Cb 1.37 -0.23 -0.07 0.00 -0.60 0.00 0.00 32.23 32.69 2elj h LYS 61 CO 0.47 0.78 -0.11 0.77 -3.45 0.00 0.00 179.45 177.91 2elj h SER 62 N 1.13 -0.39 0.32 4.20 0.02 -2.00 -0.06 113.55 116.76 2elj h SER 62 Ca 0.30 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2elj h SER 62 Cb -0.05 0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2elj h SER 62 CO -0.06 -0.14 -0.16 0.00 -1.14 0.00 0.00 176.83 175.34 2elj h ALA 63 N 1.34 -0.44 -0.75 3.77 0.00 -1.85 -3.12 119.26 118.21 2elj h ALA 63 Ca 0.18 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.07 2elj h ALA 63 Cb 0.30 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 2elj h ALA 63 CO -0.39 -0.59 -0.12 0.00 0.00 0.00 0.00 179.25 178.15 2elj h ARG 65 N 0.03 -0.23 0.04 0.00 3.08 -1.00 0.20 114.38 116.49 2elj h ARG 65 Ca 0.38 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 2elj h ARG 65 Cb 0.61 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2elj h ARG 65 CO -0.73 -0.16 -0.02 1.49 -1.07 0.00 0.00 179.97 179.49 2elj h GLU 66 N -0.24 -0.05 -0.64 0.04 4.22 -0.99 0.16 114.58 117.08 2elj h GLU 66 Ca 0.16 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.73 2elj h GLU 66 Cb 0.51 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2elj h GLU 66 CO -0.48 0.04 0.17 1.25 -2.18 0.00 0.00 179.01 177.81 2elj h LEU 67 N -0.12 0.08 -0.46 1.64 5.85 -0.30 -1.12 115.31 120.87 2elj h LEU 67 Ca -0.00 0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 2elj h LEU 67 Cb 0.10 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2elj h LEU 67 CO 0.01 0.04 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.63 2elj h LEU 68 N 0.31 0.83 -1.16 2.25 3.38 -0.42 -3.48 115.31 117.02 2elj h LEU 68 Ca 0.34 -0.40 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 2elj h LEU 68 Cb 0.50 -0.24 0.12 0.00 0.09 0.00 0.00 40.66 41.13 2elj h LEU 68 CO -0.40 1.16 -0.55 -3.20 0.09 0.00 0.00 178.44 175.54 2elj n ASN 69 N -4.02 -4.31 -4.28 -0.43 5.15 0.53 -5.02 115.26 102.88 2elj n ASN 69 Ca -0.03 -0.44 -0.15 0.00 -0.60 0.00 0.00 54.58 53.36 2elj n ASN 69 Cb 0.57 -4.05 -0.10 0.00 -0.53 0.00 0.00 39.78 35.67 2elj n ASN 69 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2elj s ILE 70 N -3.26 0.69 0.32 -1.44 -4.36 -1.25 -5.09 121.20 106.81 2elj s ILE 70 Ca 0.31 -1.99 -0.22 0.00 -0.26 0.00 0.00 60.65 58.49 2elj s ILE 70 Cb -0.14 -2.32 -0.15 0.00 1.25 0.00 0.00 42.46 41.11 2elj s ILE 70 CO 0.57 -0.30 0.20 0.47 0.24 0.00 0.00 174.94 176.12 2elj n ASP 71 N -0.34 -2.22 0.16 4.36 8.00 -1.26 -4.76 116.55 120.50 2elj n ASP 71 Ca -0.04 0.85 0.01 0.00 0.71 0.00 0.00 54.79 56.32 2elj n ASP 71 Cb 0.64 -0.84 0.27 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.50 0.00 -0.07 -0.24 0.13 -1.99 -2.79 132.00 127.53 2elj h PRO 72 Ca -0.32 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.59 2elj h PRO 72 Cb 1.35 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 2elj h PRO 72 CO 0.47 0.48 -0.85 0.82 -0.23 0.00 0.00 178.00 178.69 2elj h ILE 73 N 0.00 1.33 0.42 -3.56 2.04 -1.98 -1.98 117.51 113.78 2elj h ILE 73 Ca -0.00 -2.17 -0.02 0.00 1.00 0.00 0.00 64.86 63.66 2elj h ILE 73 Cb 0.86 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2elj h ILE 73 CO 0.06 0.67 -0.20 0.11 0.00 0.00 0.00 178.15 178.79 2elj h LYS 74 N 0.37 -0.55 -0.90 2.37 1.57 -1.89 -3.01 116.57 114.54 2elj h LYS 74 Ca -0.07 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 2elj h LYS 74 Cb 1.47 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.83 2elj h LYS 74 CO 0.16 -0.36 0.58 0.00 -0.57 0.00 0.00 179.45 179.26 2elj h ALA 75 N -1.57 1.65 -0.78 3.86 0.00 -1.64 -0.15 119.26 120.64 2elj h ALA 75 Ca -0.06 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.03 2elj h ALA 75 Cb 0.43 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2elj h ALA 75 CO 0.10 0.15 0.53 -0.97 0.00 0.00 0.00 179.25 179.06 2elj h ASN 76 N 0.87 0.28 0.12 0.00 -1.24 -1.37 0.61 115.58 114.86 2elj h ASN 76 Ca 0.43 0.02 -0.31 0.00 0.71 0.00 0.00 56.30 57.15 2elj h ASN 76 Cb 0.46 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 2elj h ASN 76 CO -0.19 0.13 -1.60 -0.09 -1.29 0.00 0.00 177.43 174.39 2elj h ARG 77 N 0.29 0.25 -0.82 6.67 9.65 -0.93 -3.36 114.38 126.13 2elj h ARG 77 Ca 0.39 -0.43 0.08 0.00 -1.10 0.00 0.00 59.98 58.92 2elj h ARG 77 Cb 1.08 0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 29.77 2elj h ARG 77 CO -0.10 1.21 0.54 0.82 2.80 0.00 0.00 179.97 185.23 2elj h ILE 78 N -0.21 0.99 -0.54 1.20 2.04 -0.46 -2.04 117.51 118.50 2elj h ILE 78 Ca -0.34 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.33 2elj h ILE 78 Cb 1.84 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 2elj h ILE 78 CO 0.06 0.15 0.06 0.22 0.00 0.00 0.00 178.15 178.64 2elj h TYR 79 N 0.83 0.08 -0.50 1.37 5.03 -1.05 -0.64 116.97 122.08 2elj h TYR 79 Ca 0.37 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.64 2elj h TYR 79 Cb 0.35 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 2elj h TYR 79 CO -0.00 -0.07 -0.01 0.22 -1.32 0.00 0.00 178.16 176.99 2elj h ASP 80 N 0.19 0.82 -0.85 -2.11 3.58 -1.55 -2.70 116.42 113.80 2elj h ASP 80 Ca 0.27 -0.21 0.11 0.00 0.42 0.00 0.00 57.03 57.62 2elj h ASP 80 Cb 0.41 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 2elj h ASP 80 CO -0.40 0.89 0.55 0.15 -2.88 0.00 0.00 179.24 177.55 2elj h PHE 81 N 0.79 0.84 -0.31 0.28 3.57 -0.82 0.95 116.94 122.25 2elj h PHE 81 Ca 0.15 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.51 2elj h PHE 81 Cb 0.48 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2elj h PHE 81 CO 0.03 0.37 -0.46 0.74 -2.23 0.00 0.00 178.31 176.76 2elj h PHE 82 N 0.77 0.99 -0.09 0.41 -1.00 -1.09 -2.94 116.94 113.99 2elj h PHE 82 Ca 0.40 -0.32 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 2elj h PHE 82 Cb 0.50 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 2elj h PHE 82 CO -0.00 1.12 -0.04 1.96 -1.61 0.00 0.00 178.31 179.74 2elj h GLN 83 N 0.64 0.19 -0.34 1.51 4.20 -1.06 -2.90 115.11 117.35 2elj h GLN 83 Ca 0.04 -0.08 0.10 0.00 0.06 0.00 0.00 58.65 58.76 2elj h GLN 83 Cb 1.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 2elj h GLN 83 CO 0.10 0.54 0.29 0.77 -0.67 0.00 0.00 178.83 179.86 2elj h SER 84 N -0.17 0.00 -0.28 1.46 0.02 -0.90 0.14 113.55 113.81 2elj h SER 84 Ca 0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2elj h SER 84 Cb 0.49 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2elj h SER 84 CO 0.01 0.00 0.13 0.00 -1.14 0.00 0.00 176.83 175.83 2elj n GLN 85 N -4.12 1.79 -2.82 3.45 1.13 -1.11 -4.85 117.38 110.85 2elj n GLN 85 Ca 0.05 -1.03 -0.15 0.00 -1.94 0.00 0.00 57.00 53.94 2elj n GLN 85 Cb 0.46 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.24 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 0.06 -1.04 -0.02 1.08 4.13 0.48 -4.69 115.26 115.25 2elj n ASN 86 Ca 0.16 -0.21 -0.06 0.00 1.68 0.00 0.00 54.58 56.14 2elj n ASN 86 Cb 0.76 -0.97 -0.13 0.00 -1.54 0.00 0.00 39.78 37.90 2elj n ASN 86 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2elj n TRP 87 N -2.49 0.85 0.50 3.10 8.01 -1.11 -5.08 117.44 121.22 2elj n TRP 87 Ca 0.04 0.30 0.06 0.00 -1.31 0.00 0.00 57.50 56.59 2elj n TRP 87 Cb 0.36 -1.13 0.05 0.00 -2.01 0.00 0.00 31.31 28.59 2elj n TRP 87 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35