#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 6.52 -0.13 1.61 0.15 -1.26 -5.02 113.70 115.57 2elj s SER 2 Ca 0.00 1.02 -0.02 0.00 0.70 0.00 0.00 55.95 57.65 2elj s SER 2 Cb 0.00 -2.27 -0.07 0.00 -1.71 0.00 0.00 66.02 61.96 2elj s SER 2 CO 0.00 -0.32 -0.14 -1.20 1.20 0.00 0.00 173.24 172.78 2elj n SER 3 N -1.09 2.18 0.00 5.45 7.64 -1.26 -5.11 113.62 121.44 2elj n SER 3 Ca 0.01 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2elj n SER 3 Cb 0.54 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2elj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2elj n GLY 4 N 2.59 0.83 0.45 0.23 0.00 -1.26 -5.07 105.19 102.96 2elj n GLY 4 Ca -0.25 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 2elj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2elj n SER 5 N 0.00 2.19 -4.61 1.61 3.41 -1.26 -5.02 113.62 109.94 2elj n SER 5 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2elj n SER 5 Cb 0.00 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2elj n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2elj s SER 6 N -4.46 5.68 0.00 4.04 0.01 -1.26 -5.01 113.70 112.69 2elj s SER 6 Ca -0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2elj s SER 6 Cb 0.00 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.23 2elj s SER 6 CO 0.00 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2elj n GLY 7 N 3.99 2.86 3.74 3.44 0.00 -1.26 -5.12 105.19 112.84 2elj n GLY 7 Ca -0.16 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 2elj n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2elj s ASN 8 N 0.00 5.31 -0.10 1.61 -0.87 -1.26 -5.12 114.94 114.52 2elj s ASN 8 Ca 0.00 -0.11 0.03 0.00 -1.57 0.00 0.00 52.86 51.21 2elj s ASN 8 Cb 0.00 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.25 39.87 2elj s ASN 8 CO 0.00 0.15 -0.19 -0.32 -2.57 0.00 0.00 177.10 174.17 2elj s MET 9 N -2.52 3.03 0.45 -0.60 1.75 -1.26 -5.11 119.30 115.04 2elj s MET 9 Ca 0.28 -0.79 -0.24 0.00 -1.25 0.00 0.00 55.69 53.70 2elj s MET 9 Cb -0.11 -2.41 -0.07 0.00 2.84 0.00 0.00 34.83 35.07 2elj s MET 9 CO 0.21 0.28 1.22 0.95 -0.65 0.00 0.00 175.02 177.03 2elj s THR 10 N 0.13 2.86 -0.11 10.11 -4.23 -1.26 -4.97 115.64 118.16 2elj s THR 10 Ca -0.10 0.68 -0.28 0.00 -1.18 0.00 0.00 61.69 60.81 2elj s THR 10 Cb -0.16 -3.37 -0.25 0.00 1.34 0.00 0.00 72.50 70.07 2elj s THR 10 CO 0.06 0.03 0.89 0.40 -0.54 0.00 0.00 174.62 175.46 2elj h ILE 11 N 2.02 1.70 -0.87 2.99 5.03 -1.95 -3.32 117.51 123.11 2elj h ILE 11 Ca -0.49 -2.06 0.25 0.00 -0.12 0.00 0.00 64.86 62.44 2elj h ILE 11 Cb 1.25 3.10 -0.16 0.00 -3.03 0.00 0.00 36.82 37.98 2elj h ILE 11 CO 0.61 0.53 0.06 -1.20 -0.68 0.00 0.00 178.15 177.47 2elj n SER 12 N -4.67 -0.06 -0.06 1.72 7.64 -1.26 -0.08 113.62 116.84 2elj n SER 12 Ca -0.10 1.47 -0.15 0.00 1.01 0.00 0.00 58.87 61.11 2elj n SER 12 Cb 0.42 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.78 -0.97 6.43 3.58 -1.98 0.11 116.42 121.81 2elj h ASP 13 Ca 0.55 0.22 0.13 0.00 0.42 0.00 0.00 57.03 58.35 2elj h ASP 13 Cb 1.17 0.71 -0.14 0.00 1.72 0.00 0.00 39.33 42.79 2elj h ASP 13 CO -0.80 -0.45 -0.44 -0.38 -2.88 0.00 0.00 179.24 174.29 2elj n ILE 14 N -5.40 -0.56 -0.20 2.25 5.41 0.88 0.36 119.36 122.11 2elj n ILE 14 Ca -0.05 2.29 -0.06 0.00 1.00 0.00 0.00 62.75 65.93 2elj n ILE 14 Cb 0.36 -2.96 0.04 0.00 -0.71 0.00 0.00 39.64 36.37 2elj n ILE 14 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2elj h GLN 15 N 0.00 0.72 -0.73 0.38 7.50 -1.33 -1.94 115.11 119.70 2elj h GLN 15 Ca 0.28 -0.04 0.13 0.00 0.50 0.00 0.00 58.65 59.51 2elj h GLN 15 Cb 0.52 -0.16 -0.05 0.00 0.05 0.00 0.00 27.48 27.84 2elj h GLN 15 CO -0.94 0.47 0.48 1.25 -1.50 0.00 0.00 178.83 178.60 2elj h HIS 16 N 0.74 0.55 -1.02 2.96 2.76 0.19 -3.44 115.15 117.89 2elj h HIS 16 Ca 0.22 0.02 -0.65 0.00 -2.20 0.00 0.00 60.37 57.75 2elj h HIS 16 Cb -0.05 -0.18 0.11 0.00 1.55 0.00 0.00 27.41 28.85 2elj h HIS 16 CO -0.04 0.23 -0.54 0.00 -1.30 0.00 0.00 177.93 176.27 2elj n ALA 17 N -2.50 -2.84 0.24 5.26 0.00 0.04 -4.83 120.51 115.88 2elj n ALA 17 Ca 0.13 0.41 0.11 0.00 0.00 0.00 0.00 53.44 54.09 2elj n ALA 17 Cb 0.45 -1.56 0.55 0.00 0.00 0.00 0.00 19.45 18.88 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 0.93 0.00 -0.59 0.00 0.13 -1.88 -2.96 132.00 127.63 2elj h PRO 18 Ca -0.28 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.48 2elj h PRO 18 Cb 1.40 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.31 2elj h PRO 18 CO 0.55 0.18 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.20 2elj n ASP 19 N -3.42 3.92 -0.09 1.44 9.92 -1.26 -4.65 116.55 122.41 2elj n ASP 19 Ca -0.00 -3.78 -0.17 0.00 -0.53 0.00 0.00 54.79 50.31 2elj n ASP 19 Cb 0.37 -0.64 -0.09 0.00 -0.64 0.00 0.00 41.12 40.12 2elj n ASP 19 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2elj h TYR 20 N 1.42 0.00 -1.06 1.24 3.20 -1.78 -3.37 116.97 116.62 2elj h TYR 20 Ca 0.35 0.00 0.31 0.00 3.14 0.00 0.00 58.73 62.53 2elj h TYR 20 Cb 1.58 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.72 2elj h TYR 20 CO 1.11 1.08 0.65 0.00 -1.64 0.00 0.00 178.16 179.36 2elj h ALA 21 N -0.54 2.12 -0.96 1.82 0.00 -1.83 0.23 119.26 120.10 2elj h ALA 21 Ca -0.22 0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.08 2elj h ALA 21 Cb 1.06 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 2elj h ALA 21 CO -0.13 -0.65 0.48 -0.07 0.00 0.00 0.00 179.25 178.87 2elj h LEU 22 N 0.36 0.43 -9.25 0.00 -0.00 -1.89 -3.40 115.31 101.56 2elj h LEU 22 Ca 0.69 0.17 -0.64 0.00 -0.00 0.00 0.00 57.88 58.10 2elj h LEU 22 Cb 1.68 0.13 0.02 0.00 -0.00 0.00 0.00 40.66 42.48 2elj h LEU 22 CO -0.47 -0.04 1.08 0.18 -0.00 0.00 0.00 178.44 179.19 2elj n LEU 23 N -5.03 3.28 -4.52 1.67 4.77 0.80 -4.89 117.00 113.08 2elj n LEU 23 Ca 0.26 0.98 -0.37 0.00 -0.03 0.00 0.00 56.01 56.86 2elj n LEU 23 Cb 0.79 -1.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.61 2elj n LEU 23 CO 0.12 -0.11 0.24 -1.20 -1.33 0.00 0.00 177.39 175.10 2elj n SER 24 N 6.51 -0.51 -0.31 -1.43 7.64 -1.26 -4.20 113.62 120.06 2elj n SER 24 Ca 0.23 0.67 -0.01 0.00 1.01 0.00 0.00 58.87 60.77 2elj n SER 24 Cb 0.27 -1.28 0.04 0.00 -1.01 0.00 0.00 64.21 62.23 2elj n SER 24 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2elj n ASN 25 N -0.53 -0.51 -0.08 6.43 5.15 -1.26 0.88 115.26 125.34 2elj n ASN 25 Ca 0.12 1.41 -0.10 0.00 -0.60 0.00 0.00 54.58 55.40 2elj n ASN 25 Cb 0.49 -0.33 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 2elj n ASN 25 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2elj h ASP 26 N 0.00 0.37 -0.69 1.20 3.32 -2.02 -2.90 116.42 115.70 2elj h ASP 26 Ca 0.29 -0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.28 2elj h ASP 26 Cb 0.49 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.87 2elj h ASP 26 CO -0.80 0.42 0.32 -0.33 -1.72 0.00 0.00 179.24 177.13 2elj h GLU 27 N 0.30 0.52 -0.58 3.56 5.08 0.21 -1.80 114.58 121.87 2elj h GLU 27 Ca 0.09 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 2elj h GLU 27 Cb 0.16 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 2elj h GLU 27 CO -0.01 0.34 0.04 1.96 -1.00 0.00 0.00 179.01 180.34 2elj h GLN 28 N 0.53 0.15 -0.02 2.33 4.20 -0.33 -1.60 115.11 120.37 2elj h GLN 28 Ca 0.35 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.06 2elj h GLN 28 Cb 0.40 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2elj h GLN 28 CO -0.29 0.10 -0.35 1.96 -0.67 0.00 0.00 178.83 179.58 2elj h GLN 29 N 0.16 -0.41 -0.03 1.46 1.08 -1.27 -2.04 115.11 114.05 2elj h GLN 29 Ca 0.30 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.55 2elj h GLN 29 Cb 0.47 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 2elj h GLN 29 CO -0.46 -0.27 -0.45 1.25 -0.95 0.00 0.00 178.83 177.95 2elj h LEU 30 N -0.42 -1.41 -0.95 1.46 5.85 -1.42 0.54 115.31 118.97 2elj h LEU 30 Ca 0.01 0.16 0.38 0.00 0.84 0.00 0.00 57.88 59.27 2elj h LEU 30 Cb 0.46 0.54 -0.15 0.00 0.37 0.00 0.00 40.66 41.88 2elj h LEU 30 CO -0.25 -0.43 0.54 0.00 -0.34 0.00 0.00 178.44 177.96 2elj h ILE 32 N 0.00 1.51 0.26 0.00 2.04 -0.34 0.27 117.51 121.24 2elj h ILE 32 Ca 0.75 -2.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 2elj h ILE 32 Cb 2.08 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 41.02 2elj h ILE 32 CO -0.62 0.62 -0.19 1.56 0.00 0.00 0.00 178.15 179.52 2elj h GLN 33 N -0.33 -0.44 0.00 2.37 1.08 0.30 -1.85 115.11 116.23 2elj h GLN 33 Ca -0.08 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2elj h GLN 33 Cb 1.31 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 2elj h GLN 33 CO 0.10 -0.29 0.00 1.28 -0.95 0.00 0.00 178.83 178.97 2elj n LEU 34 N -5.32 0.00 -3.32 1.46 4.77 0.74 -4.90 117.00 110.43 2elj n LEU 34 Ca -0.09 0.32 -0.24 0.00 -0.03 0.00 0.00 56.01 55.97 2elj n LEU 34 Cb 0.23 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 2elj n LEU 34 CO 0.32 -0.03 0.09 0.29 -1.33 0.00 0.00 177.39 176.73 2elj n LYS 35 N -1.32 -5.91 -3.99 3.23 5.02 -0.44 -4.98 118.16 109.76 2elj n LYS 35 Ca 0.12 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 56.93 2elj n LYS 35 Cb 0.24 -5.75 -0.05 0.00 -0.02 0.00 0.00 35.03 29.44 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 -3.22 4.95 0.47 -0.18 1.01 0.82 -4.97 121.20 120.07 2elj s ILE 36 Ca 0.44 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2elj s ILE 36 Cb -0.20 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 2elj s ILE 36 CO 0.54 0.16 0.85 -0.76 0.00 0.00 0.00 174.94 175.74 2elj s LEU 37 N -2.37 3.69 0.32 2.97 1.43 -1.26 -4.59 118.68 118.87 2elj s LEU 37 Ca 0.31 1.25 0.11 0.00 -1.03 0.00 0.00 54.13 54.77 2elj s LEU 37 Cb -0.13 -4.17 0.55 0.00 0.03 0.00 0.00 46.19 42.47 2elj s LEU 37 CO 0.24 -0.52 1.73 1.55 0.23 0.00 0.00 176.35 179.57 2elj h PRO 38 N 0.87 0.01 0.65 1.29 0.13 -1.87 -1.44 132.00 131.63 2elj h PRO 38 Ca -0.47 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.63 0.49 -0.31 -0.22 -0.23 0.00 0.00 178.00 178.35 2elj h LYS 39 N 0.00 -0.84 0.00 0.86 3.64 -1.94 -0.72 116.57 117.57 2elj h LYS 39 Ca -0.00 0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2elj h LYS 39 Cb 0.86 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2elj h LYS 39 CO 0.06 -0.52 -0.24 -1.00 -2.27 0.00 0.00 179.45 175.48 2elj h PRO 40 N -1.10 0.00 -0.07 1.90 0.13 -1.98 -2.77 132.00 128.11 2elj h PRO 40 Ca -0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.83 2elj h PRO 40 Cb 0.71 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.85 2elj h PRO 40 CO 0.15 0.24 -0.77 -0.92 -0.23 0.00 0.00 178.00 176.47 2elj h TYR 41 N 0.00 0.91 -0.22 1.56 5.03 -1.23 -3.09 116.97 119.93 2elj h TYR 41 Ca -0.00 -0.44 -0.10 0.00 2.58 0.00 0.00 58.73 60.76 2elj h TYR 41 Cb 0.68 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 2elj h TYR 41 CO 0.00 1.27 -0.30 -0.07 -1.32 0.00 0.00 178.16 177.73 2elj h LEU 42 N 0.30 0.46 -0.71 2.82 3.38 -1.04 0.01 115.31 120.53 2elj h LEU 42 Ca -0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2elj h LEU 42 Cb 1.42 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2elj h LEU 42 CO 0.15 0.75 0.37 0.58 0.09 0.00 0.00 178.44 180.38 2elj h VAL 43 N 0.39 1.23 0.00 1.22 2.07 -1.52 0.15 116.25 119.79 2elj h VAL 43 Ca 0.05 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2elj h VAL 43 Cb 0.73 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2elj h VAL 43 CO 0.06 0.26 -0.49 0.17 0.02 0.00 0.00 177.57 177.58 2elj h LEU 44 N 0.99 0.00 0.06 2.57 8.10 -1.44 -3.32 115.31 122.26 2elj h LEU 44 Ca 0.25 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 58.03 2elj h LEU 44 Cb 0.07 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.31 2elj h LEU 44 CO -0.04 0.18 -0.84 0.50 -4.11 0.00 0.00 178.44 174.14 2elj h LYS 45 N 0.00 0.46 -0.06 0.17 3.64 -0.55 -3.14 116.57 117.10 2elj h LYS 45 Ca -0.02 -0.58 0.02 0.00 -1.27 0.00 0.00 60.65 58.80 2elj h LYS 45 Cb 1.15 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2elj h LYS 45 CO 0.02 1.22 0.08 1.05 -2.27 0.00 0.00 179.45 179.55 2elj h GLU 46 N -0.03 0.00 0.08 1.90 4.11 -0.82 -2.62 114.58 117.21 2elj h GLU 46 Ca -0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 2elj h GLU 46 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2elj h GLU 46 CO 0.16 0.00 -0.04 0.28 0.07 0.00 0.00 179.01 179.48 2elj h VAL 47 N 0.00 0.88 -0.83 -1.06 2.07 -1.65 -3.07 116.25 112.58 2elj h VAL 47 Ca 0.03 -1.42 0.24 0.00 0.82 0.00 0.00 66.70 66.37 2elj h VAL 47 Cb 0.19 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2elj h VAL 47 CO -0.00 0.27 0.97 0.24 0.02 0.00 0.00 177.57 179.06 2elj h MET 48 N -0.94 0.00 0.00 1.57 2.86 -1.42 0.79 114.93 117.79 2elj h MET 48 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2elj h MET 48 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 2elj h MET 48 CO 0.02 0.00 -0.01 0.74 1.06 0.00 0.00 176.91 178.71 2elj h PHE 49 N 0.00 0.00 -0.96 -0.22 0.04 -1.57 -2.24 116.94 111.98 2elj h PHE 49 Ca 0.40 0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.35 2elj h PHE 49 Cb 2.32 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 40.37 2elj h PHE 49 CO 0.00 0.23 0.56 0.07 -0.60 0.00 0.00 178.31 178.57 2elj h ARG 50 N -1.00 0.68 -0.03 1.51 0.11 -0.81 0.15 114.38 115.00 2elj h ARG 50 Ca -0.00 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 59.86 2elj h ARG 50 Cb 0.24 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 2elj h ARG 50 CO -0.00 0.45 -0.76 1.49 0.10 0.00 0.00 179.97 181.25 2elj h GLU 51 N 0.70 0.23 -0.34 0.08 4.81 -1.31 -1.12 114.58 117.64 2elj h GLU 51 Ca 0.56 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2elj h GLU 51 Cb 0.87 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2elj h GLU 51 CO -0.39 0.88 0.06 -0.07 -0.73 0.00 0.00 179.01 178.76 2elj h LEU 52 N 0.15 0.54 -0.10 1.64 3.38 -0.14 -1.56 115.31 119.22 2elj h LEU 52 Ca -0.03 -0.26 -0.24 0.00 0.09 0.00 0.00 57.88 57.44 2elj h LEU 52 Cb 1.34 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2elj h LEU 52 CO 0.12 0.66 -0.96 0.17 0.09 0.00 0.00 178.44 178.52 2elj h LEU 53 N 0.40 0.77 0.24 1.67 8.10 -1.07 0.23 115.31 125.65 2elj h LEU 53 Ca 0.10 -0.60 -0.00 0.00 0.11 0.00 0.00 57.88 57.50 2elj h LEU 53 Cb 0.35 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2elj h LEU 53 CO 0.01 1.40 -0.19 0.50 -4.11 0.00 0.00 178.44 176.04 2elj h LYS 54 N 0.36 -0.43 0.00 0.17 3.64 -1.15 -2.78 116.57 116.39 2elj h LYS 54 Ca -0.10 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2elj h LYS 54 Cb 1.60 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 2elj h LYS 54 CO 0.18 -0.29 -0.33 1.79 -2.27 0.00 0.00 179.45 178.54 2elj h THR 55 N -0.44 0.58 -0.53 1.00 1.35 -1.37 -3.48 112.91 110.01 2elj h THR 55 Ca -0.01 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 2elj h THR 55 Cb 0.40 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2elj h THR 55 CO -0.02 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2elj n GLY 56 N 1.12 0.80 0.62 5.82 0.00 0.42 -4.45 105.19 109.52 2elj n GLY 56 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.67 0.67 2.23 -0.02 0.00 0.52 -5.00 105.19 102.92 2elj n GLY 57 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.62 4.49 -4.52 1.61 5.15 -1.26 -5.05 115.26 115.06 2elj n ASN 58 Ca 0.00 -3.57 -0.29 0.00 -0.60 0.00 0.00 54.58 50.12 2elj n ASN 58 Cb 0.25 -0.39 -0.11 0.00 -0.53 0.00 0.00 39.78 39.01 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 -3.58 2.82 -0.05 1.20 2.96 -1.26 -5.01 118.68 115.75 2elj s LEU 59 Ca 0.47 -0.53 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 2elj s LEU 59 Cb 0.40 -1.62 0.06 0.00 0.50 0.00 0.00 46.19 45.53 2elj s LEU 59 CO -0.03 0.16 0.62 -0.55 -1.32 0.00 0.00 176.35 175.24 2elj s SER 60 N -2.30 -0.59 0.41 3.68 0.15 -1.26 -4.97 113.70 108.82 2elj s SER 60 Ca 0.20 0.65 0.35 0.00 0.70 0.00 0.00 55.95 57.85 2elj s SER 60 Cb -0.10 0.54 1.29 0.00 -1.71 0.00 0.00 66.02 66.04 2elj s SER 60 CO 0.12 -0.57 1.21 0.29 1.20 0.00 0.00 173.24 175.48 2elj n LYS 61 N 1.04 -0.01 -0.03 5.44 4.76 -1.26 0.22 118.16 128.31 2elj n LYS 61 Ca -0.19 0.87 -0.14 0.00 -2.87 0.00 0.00 58.31 55.99 2elj n LYS 61 Cb 0.57 -1.93 -0.10 0.00 -1.84 0.00 0.00 35.03 31.73 2elj n LYS 61 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2elj h SER 62 N 0.00 0.15 0.01 4.39 0.87 -2.01 -3.14 113.55 113.81 2elj h SER 62 Ca 0.72 -0.62 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2elj h SER 62 Cb 2.73 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 64.65 2elj h SER 62 CO -0.11 0.74 -0.01 0.00 -0.53 0.00 0.00 176.83 176.93 2elj h ALA 63 N 0.41 -0.01 -0.95 6.23 0.00 0.22 -3.30 119.26 121.86 2elj h ALA 63 Ca -0.00 -0.34 0.22 0.00 0.00 0.00 0.00 54.91 54.79 2elj h ALA 63 Cb 0.73 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.35 2elj h ALA 63 CO 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 179.25 179.01 2elj h ARG 65 N 0.01 -0.18 -0.01 0.00 2.47 -1.62 -0.70 114.38 114.35 2elj h ARG 65 Ca 0.51 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 59.24 2elj h ARG 65 Cb 0.92 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 2elj h ARG 65 CO -0.92 -0.12 0.01 1.49 0.56 0.00 0.00 179.97 180.98 2elj h GLU 66 N -0.19 0.02 -0.77 0.04 4.81 -0.89 -3.09 114.58 114.51 2elj h GLU 66 Ca 0.21 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 2elj h GLU 66 Cb 0.56 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.80 2elj h GLU 66 CO -0.71 0.13 -0.35 1.25 -0.73 0.00 0.00 179.01 178.59 2elj h LEU 67 N -0.10 -1.27 -9.22 1.64 5.85 -0.18 -3.37 115.31 108.67 2elj h LEU 67 Ca 0.00 0.26 -0.59 0.00 0.84 0.00 0.00 57.88 58.40 2elj h LEU 67 Cb 0.12 0.65 -0.10 0.00 0.37 0.00 0.00 40.66 41.70 2elj h LEU 67 CO -0.00 -0.30 -0.15 -0.76 -0.34 0.00 0.00 178.44 176.89 2elj s LEU 68 N -10.82 4.20 -0.17 2.25 1.43 -0.39 -4.97 118.68 110.22 2elj s LEU 68 Ca -0.14 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2elj s LEU 68 Cb 0.18 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 2elj s LEU 68 CO 0.70 -0.06 2.82 0.59 0.23 0.00 0.00 176.35 180.63 2elj n ASN 69 N 4.19 5.77 -4.77 2.29 4.13 -1.26 -4.78 115.26 120.83 2elj n ASN 69 Ca -0.07 -2.74 -0.33 0.00 1.68 0.00 0.00 54.58 53.12 2elj n ASN 69 Cb 0.51 -1.25 -0.07 0.00 -1.54 0.00 0.00 39.78 37.42 2elj n ASN 69 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2elj s ILE 70 N -0.55 1.19 0.81 2.41 -4.36 -1.26 -5.12 121.20 114.32 2elj s ILE 70 Ca 0.45 -1.97 -0.14 0.00 -0.26 0.00 0.00 60.65 58.73 2elj s ILE 70 Cb 0.26 -2.16 0.04 0.00 1.25 0.00 0.00 42.46 41.85 2elj s ILE 70 CO -0.06 0.00 0.86 0.47 0.24 0.00 0.00 174.94 176.46 2elj n ASP 71 N -1.29 -0.18 -0.01 4.36 8.00 -1.26 -4.84 116.55 121.32 2elj n ASP 71 Ca -0.18 0.54 -0.13 0.00 0.71 0.00 0.00 54.79 55.72 2elj n ASP 71 Cb 0.67 -1.37 -0.10 0.00 -0.02 0.00 0.00 41.12 40.30 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 -0.89 -0.01 -0.93 -0.24 0.13 -1.96 -2.02 132.00 126.07 2elj h PRO 72 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2elj h PRO 72 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2elj h PRO 72 CO 0.43 0.47 0.61 0.82 -0.23 0.00 0.00 178.00 180.10 2elj h ILE 73 N -0.50 1.24 -0.58 -3.56 1.08 -2.01 -2.38 117.51 110.81 2elj h ILE 73 Ca -0.00 -0.45 -0.09 0.00 -0.39 0.00 0.00 64.86 63.93 2elj h ILE 73 Cb 0.49 -0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 2elj h ILE 73 CO 0.00 0.24 0.01 0.11 -0.69 0.00 0.00 178.15 177.82 2elj h LYS 74 N 1.27 1.02 0.53 2.37 1.57 -1.94 -3.17 116.57 118.21 2elj h LYS 74 Ca 0.34 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2elj h LYS 74 Cb -0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2elj h LYS 74 CO -0.07 1.00 -0.37 0.00 -0.57 0.00 0.00 179.45 179.44 2elj h ALA 75 N 0.98 -1.14 -0.91 3.86 0.00 -0.88 -2.89 119.26 118.28 2elj h ALA 75 Ca 0.17 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2elj h ALA 75 Cb 0.53 0.52 -0.16 0.00 0.00 0.00 0.00 17.79 18.68 2elj h ALA 75 CO 0.03 -1.13 -0.28 0.09 0.00 0.00 0.00 179.25 177.97 2elj n ASN 76 N -4.70 -0.43 -0.15 0.00 3.02 -0.94 0.50 115.26 112.56 2elj n ASN 76 Ca -0.10 1.58 -0.04 0.00 -0.03 0.00 0.00 54.58 55.98 2elj n ASN 76 Cb 0.37 -0.43 0.02 0.00 -0.61 0.00 0.00 39.78 39.13 2elj n ASN 76 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2elj h ARG 77 N 0.00 -0.09 -0.26 3.52 2.47 -1.49 -1.21 114.38 117.32 2elj h ARG 77 Ca 0.39 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.13 2elj h ARG 77 Cb 0.62 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 2elj h ARG 77 CO -0.93 -0.06 0.16 0.82 0.56 0.00 0.00 179.97 180.52 2elj h ILE 78 N -0.09 1.04 -0.03 2.04 2.04 0.24 -1.53 117.51 121.22 2elj h ILE 78 Ca 0.23 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2elj h ILE 78 Cb 0.44 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2elj h ILE 78 CO -0.54 0.06 -0.42 0.22 0.00 0.00 0.00 178.15 177.47 2elj h TYR 79 N 0.32 -1.23 0.20 1.37 5.03 -0.08 -1.54 116.97 121.04 2elj h TYR 79 Ca 0.10 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.46 2elj h TYR 79 Cb -0.01 0.54 -0.04 0.00 1.55 0.00 0.00 36.73 38.77 2elj h TYR 79 CO -0.07 -0.44 -0.45 0.22 -1.32 0.00 0.00 178.16 176.10 2elj h ASP 80 N -0.50 -1.30 -0.83 -2.11 1.82 -1.25 -2.85 116.42 109.39 2elj h ASP 80 Ca 0.01 0.13 0.08 0.00 -0.39 0.00 0.00 57.03 56.86 2elj h ASP 80 Cb 0.55 0.47 -0.10 0.00 0.68 0.00 0.00 39.33 40.94 2elj h ASP 80 CO -0.29 -0.53 -0.49 0.33 -1.61 0.00 0.00 179.24 176.64 2elj n PHE 81 N -5.49 -0.37 -0.37 0.28 7.35 -0.58 -0.01 117.46 118.27 2elj n PHE 81 Ca -0.08 1.04 0.02 0.00 -0.76 0.00 0.00 57.45 57.67 2elj n PHE 81 Cb 0.40 -0.56 0.08 0.00 0.35 0.00 0.00 39.48 39.74 2elj n PHE 81 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2elj n PHE 82 N -4.96 0.15 -0.28 -5.13 3.01 -0.60 0.15 117.46 109.80 2elj n PHE 82 Ca 0.02 1.22 0.08 0.00 1.01 0.00 0.00 57.45 59.78 2elj n PHE 82 Cb 0.22 -0.95 0.31 0.00 -0.01 0.00 0.00 39.48 39.05 2elj n PHE 82 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2elj h GLN 83 N 0.00 0.82 -0.80 -1.08 4.20 -0.36 -2.25 115.11 115.65 2elj h GLN 83 Ca 0.40 -0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.21 2elj h GLN 83 Cb 0.64 -0.19 -0.15 0.00 0.30 0.00 0.00 27.48 28.09 2elj h GLN 83 CO -1.00 0.54 -0.21 1.03 -0.67 0.00 0.00 178.83 178.52 2elj h SER 84 N 0.85 -0.77 -0.21 1.46 0.87 0.20 0.77 113.55 116.72 2elj h SER 84 Ca 0.42 0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 61.10 2elj h SER 84 Cb 0.48 0.50 -0.06 0.00 -0.44 0.00 0.00 62.40 62.88 2elj h SER 84 CO -0.19 -0.27 0.17 0.00 -0.53 0.00 0.00 176.83 176.01 2elj n GLN 85 N -5.52 1.32 -3.20 2.24 3.00 -0.85 -4.81 117.38 109.56 2elj n GLN 85 Ca 0.11 -0.67 -0.22 0.00 -0.01 0.00 0.00 57.00 56.20 2elj n GLN 85 Cb 0.40 -1.26 -0.04 0.00 0.00 0.00 0.00 30.24 29.34 2elj n GLN 85 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2elj n ASN 86 N 0.59 -1.15 0.14 1.08 2.85 0.27 -4.73 115.26 114.31 2elj n ASN 86 Ca 0.13 -0.55 -0.24 0.00 -0.11 0.00 0.00 54.58 53.81 2elj n ASN 86 Cb 0.64 -1.03 -0.16 0.00 1.24 0.00 0.00 39.78 40.47 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 -0.45 0.99 -0.01 1.20 6.55 -1.66 -3.50 115.95 119.06 2elj h TRP 87 Ca -0.31 -0.71 0.00 0.00 0.95 0.00 0.00 58.89 58.82 2elj h TRP 87 Cb 0.92 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.18 2elj h TRP 87 CO 0.55 1.55 0.00 -1.33 -1.05 0.00 0.00 178.44 178.16