#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s TRP 2 N 0.00 3.67 0.10 0.66 1.48 -1.26 -5.08 118.94 118.52 2otj s TRP 2 Ca 0.00 1.39 -0.06 0.00 -1.06 0.00 0.00 56.10 56.38 2otj s TRP 2 Cb 0.00 -2.62 -0.05 0.00 -1.16 0.00 0.00 33.47 29.64 2otj s TRP 2 CO 0.00 0.36 0.35 -0.51 -4.06 0.00 0.00 176.95 173.09 2otj s ASP 3 N -1.60 6.51 -0.04 -2.66 1.01 -1.26 -5.05 116.67 113.58 2otj s ASP 3 Ca 0.42 0.60 -0.23 0.00 0.71 0.00 0.00 52.55 54.05 2otj s ASP 3 Cb -0.17 -2.10 -0.18 0.00 1.01 0.00 0.00 42.92 41.48 2otj s ASP 3 CO 0.21 0.11 1.01 0.58 0.21 0.00 0.00 175.17 177.30 2otj h VAL 4 N 2.37 1.07 -3.59 -1.27 2.07 -1.95 -3.40 116.25 111.55 2otj h VAL 4 Ca -0.47 -1.18 -0.64 0.00 0.82 0.00 0.00 66.70 65.22 2otj h VAL 4 Cb 1.18 1.76 -0.15 0.00 -1.52 0.00 0.00 31.29 32.56 2otj h VAL 4 CO 0.71 0.26 0.00 -0.63 0.02 0.00 0.00 177.57 177.93 2otj s ILE 5 N -3.68 4.98 -0.11 4.57 1.01 -1.26 -1.36 121.20 125.35 2otj s ILE 5 Ca -0.14 0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 2otj s ILE 5 Cb 0.01 -4.00 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 2otj s ILE 5 CO 0.56 -0.25 0.44 0.11 0.00 0.00 0.00 174.94 175.79 2otj h LYS 6 N 8.47 -0.02 -1.44 2.79 1.57 -1.62 -3.49 116.57 122.83 2otj h LYS 6 Ca -0.27 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 58.79 2otj h LYS 6 Cb 1.12 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 33.26 2otj h LYS 6 CO 0.79 0.47 0.83 -3.38 -0.57 0.00 0.00 179.45 177.59 2otj s HIS 7 N -2.04 -0.10 0.21 -1.35 -3.43 -1.11 -5.03 115.29 102.44 2otj s HIS 7 Ca -0.10 0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 53.90 2otj s HIS 7 Cb -0.01 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.57 2otj s HIS 7 CO 0.36 -0.21 1.22 -2.14 -2.00 0.00 0.00 174.74 171.97 2otj s PRO 8 N -2.40 4.48 -0.60 -0.38 0.02 -1.26 -1.14 135.00 133.72 2otj s PRO 8 Ca 0.11 1.94 -0.20 0.00 0.02 0.00 0.00 61.00 62.86 2otj s PRO 8 Cb 0.01 -3.21 0.09 0.00 0.02 0.00 0.00 34.50 31.40 2otj s PRO 8 CO -0.04 -0.10 0.77 -1.58 -0.33 0.00 0.00 177.00 175.73 2otj s HIS 9 N -0.25 2.91 -0.37 6.54 2.46 -0.23 -4.79 115.29 121.55 2otj s HIS 9 Ca 0.52 -0.75 -0.08 0.00 0.47 0.00 0.00 55.06 55.22 2otj s HIS 9 Cb -0.34 -4.03 0.05 0.00 -0.13 0.00 0.00 32.58 28.14 2otj s HIS 9 CO 0.39 -1.36 0.18 0.54 -2.47 0.00 0.00 174.74 172.02 2otj s VAL 10 N 3.10 4.04 0.23 0.89 0.11 -1.26 -4.54 120.40 122.96 2otj s VAL 10 Ca 0.16 -1.21 -0.01 0.00 -2.93 0.00 0.00 61.98 57.98 2otj s VAL 10 Cb -0.21 -3.36 -0.03 0.00 -1.53 0.00 0.00 36.38 31.24 2otj s VAL 10 CO 0.09 -0.32 0.19 0.42 -3.33 0.00 0.00 175.10 172.15 2otj s THR 11 N 1.42 0.00 0.26 5.04 -4.23 -1.26 -4.99 115.64 111.88 2otj s THR 11 Ca 0.01 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 2otj s THR 11 Cb -0.21 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.40 2otj s THR 11 CO 0.03 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.61 2otj h GLU 12 N 2.51 0.91 -0.25 3.99 3.07 -2.00 -0.35 114.58 122.45 2otj h GLU 12 Ca -0.33 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.33 2otj h GLU 12 Cb 1.25 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2otj h GLU 12 CO 0.49 0.60 -0.43 -0.22 -1.40 0.00 0.00 179.01 178.05 2otj h LYS 13 N 0.94 0.63 -0.63 2.33 3.64 -1.99 -2.85 116.57 118.64 2otj h LYS 13 Ca 0.43 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2otj h LYS 13 Cb 0.33 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2otj h LYS 13 CO -0.23 0.94 0.42 0.00 -2.27 0.00 0.00 179.45 178.31 2otj h ALA 14 N 1.01 1.56 -0.16 5.00 0.00 -1.41 -2.50 119.26 122.76 2otj h ALA 14 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2otj h ALA 14 Cb 0.96 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2otj h ALA 14 CO 0.09 0.40 -0.16 0.52 0.00 0.00 0.00 179.25 180.10 2otj h MET 15 N 0.84 0.40 -0.86 0.00 2.86 -1.12 -2.77 114.93 114.28 2otj h MET 15 Ca 0.23 -0.21 0.14 0.00 -2.06 0.00 0.00 59.70 57.81 2otj h MET 15 Cb -0.08 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.50 2otj h MET 15 CO -0.05 0.77 0.46 -0.91 1.06 0.00 0.00 176.91 178.23 2otj h ASN 16 N 0.04 0.57 0.21 1.22 2.35 -1.23 0.66 115.58 119.41 2otj h ASN 16 Ca 0.03 0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 2otj h ASN 16 Cb 0.70 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2otj h ASN 16 CO 0.04 0.25 -0.33 0.44 -1.65 0.00 0.00 177.43 176.18 2otj h ASP 17 N 0.66 0.19 -0.00 5.81 5.19 -1.47 0.81 116.42 127.61 2otj h ASP 17 Ca 0.46 -0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 56.68 2otj h ASP 17 Cb 0.63 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.10 2otj h ASP 17 CO -0.35 0.52 -0.48 -0.03 -3.12 0.00 0.00 179.24 175.78 2otj h MET 18 N 0.16 0.33 -0.03 3.56 4.05 -0.16 0.61 114.93 123.45 2otj h MET 18 Ca 0.02 -0.35 -0.23 0.00 -0.28 0.00 0.00 59.70 58.86 2otj h MET 18 Cb 0.67 0.10 0.02 0.00 -0.80 0.00 0.00 31.60 31.59 2otj h MET 18 CO 0.05 1.04 -0.88 -0.44 0.23 0.00 0.00 176.91 176.91 2otj h ASP 19 N -0.23 0.82 0.04 1.39 3.32 0.17 -3.18 116.42 118.76 2otj h ASP 19 Ca -0.06 -0.72 -0.12 0.00 0.02 0.00 0.00 57.03 56.15 2otj h ASP 19 Cb 1.21 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2otj h ASP 19 CO 0.10 1.43 -2.08 0.49 -1.72 0.00 0.00 179.24 177.46 2otj n PHE 20 N -3.97 0.05 -0.14 4.55 0.99 0.27 -4.66 117.46 114.55 2otj n PHE 20 Ca -0.10 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 2otj n PHE 20 Cb 0.80 -0.68 0.00 0.00 -1.00 0.00 0.00 39.48 38.61 2otj n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2otj n GLN 21 N -2.43 -0.14 -3.26 -1.08 6.02 -0.36 -5.02 117.38 111.10 2otj n GLN 21 Ca -0.13 -0.38 -0.16 0.00 -0.01 0.00 0.00 57.00 56.33 2otj n GLN 21 Cb 0.75 -0.87 0.07 0.00 1.02 0.00 0.00 30.24 31.22 2otj n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2otj n ASN 22 N -0.09 -3.04 -4.18 1.08 5.15 0.01 -4.82 115.26 109.37 2otj n ASN 22 Ca 0.00 -0.50 -0.29 0.00 -0.60 0.00 0.00 54.58 53.19 2otj n ASN 22 Cb 0.04 -4.36 -0.17 0.00 -0.53 0.00 0.00 39.78 34.76 2otj n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2otj s LYS 23 N -5.41 2.36 -0.13 1.20 1.02 -0.10 -1.58 119.74 117.11 2otj s LYS 23 Ca 0.14 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 2otj s LYS 23 Cb -0.06 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 2otj s LYS 23 CO 0.61 0.23 0.03 -0.51 -0.92 0.00 0.00 175.35 174.79 2otj s LEU 24 N 0.17 3.71 -0.11 3.17 1.43 0.11 -2.60 118.68 124.56 2otj s LEU 24 Ca -0.10 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2otj s LEU 24 Cb -0.15 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2otj s LEU 24 CO 0.05 0.30 0.03 -1.10 0.23 0.00 0.00 176.35 175.86 2otj s GLN 25 N -0.38 3.23 0.08 1.70 -0.21 -1.26 -0.29 119.66 122.52 2otj s GLN 25 Ca 0.08 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.14 2otj s GLN 25 Cb -0.12 -2.92 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 2otj s GLN 25 CO 0.02 0.64 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.67 2otj s PHE 26 N -0.68 0.95 -0.36 0.91 0.40 0.51 -1.07 117.98 118.64 2otj s PHE 26 Ca 0.11 -0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 2otj s PHE 26 Cb -0.12 -0.54 -0.00 0.00 0.51 0.00 0.00 43.02 42.87 2otj s PHE 26 CO 0.02 -0.03 0.24 0.00 0.70 0.00 0.00 175.22 176.15 2otj s ALA 27 N -2.11 3.45 0.46 5.36 0.00 -0.29 -0.29 121.76 128.33 2otj s ALA 27 Ca 0.01 -1.51 0.05 0.00 0.00 0.00 0.00 51.96 50.50 2otj s ALA 27 Cb -0.05 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2otj s ALA 27 CO -0.00 -1.14 0.06 0.14 0.00 0.00 0.00 175.76 174.82 2otj s VAL 28 N 1.68 1.69 -0.10 0.00 -7.23 0.15 -1.74 120.40 114.86 2otj s VAL 28 Ca 0.05 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 2otj s VAL 28 Cb -0.18 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 2otj s VAL 28 CO 0.09 0.00 1.23 -0.62 -0.31 0.00 0.00 175.10 175.50 2otj s ASP 29 N -3.85 7.00 0.00 4.85 -1.08 -0.46 -3.02 116.67 120.11 2otj s ASP 29 Ca 0.24 1.78 0.00 0.00 -0.52 0.00 0.00 52.55 54.05 2otj s ASP 29 Cb 0.05 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2otj s ASP 29 CO 0.13 -0.66 0.46 -0.90 0.52 0.00 0.00 175.17 174.73 2otj n ASP 30 N 5.75 0.00 -0.59 -0.34 5.75 -1.26 -0.02 116.55 125.85 2otj n ASP 30 Ca 0.12 0.02 0.11 0.00 -0.01 0.00 0.00 54.79 55.03 2otj n ASP 30 Cb 0.46 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.54 2otj n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2otj n ARG 31 N -0.96 1.48 -2.99 0.11 1.74 -1.26 -4.94 116.66 109.84 2otj n ARG 31 Ca 0.00 -1.19 -0.40 0.00 -0.77 0.00 0.00 57.85 55.49 2otj n ARG 31 Cb 0.00 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 2otj n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2otj s ALA 32 N -2.31 3.31 0.75 7.54 0.00 0.98 -5.07 121.76 126.95 2otj s ALA 32 Ca 0.20 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 2otj s ALA 32 Cb 0.18 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 20.36 2otj s ALA 32 CO 0.50 -0.12 1.09 -1.54 0.00 0.00 0.00 175.76 175.69 2otj s SER 33 N 0.80 4.66 0.22 0.00 1.04 -1.26 -4.85 113.70 114.31 2otj s SER 33 Ca 0.40 0.59 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 2otj s SER 33 Cb -0.18 -1.17 0.26 0.00 0.10 0.00 0.00 66.02 65.03 2otj s SER 33 CO 0.20 -1.75 1.85 0.11 0.98 0.00 0.00 173.24 174.63 2otj h LYS 34 N -0.81 0.91 -0.68 4.02 1.57 -1.97 0.14 116.57 119.75 2otj h LYS 34 Ca -0.45 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2otj h LYS 34 Cb 1.32 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 2otj h LYS 34 CO 0.63 0.60 0.36 0.78 -0.57 0.00 0.00 179.45 181.25 2otj h GLY 35 N 0.94 1.02 1.73 3.86 0.00 -1.97 0.94 103.07 109.59 2otj h GLY 35 Ca 0.33 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2otj h GLY 35 CO -0.14 0.45 -0.53 0.83 0.00 0.00 0.00 176.54 177.16 2otj h GLU 36 N 0.93 0.28 -0.23 4.80 5.08 -1.79 -2.67 114.58 120.98 2otj h GLU 36 Ca 0.24 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 2otj h GLU 36 Cb 0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2otj h GLU 36 CO -0.04 0.74 -0.52 0.28 -1.00 0.00 0.00 179.01 178.47 2otj h VAL 37 N 0.22 1.31 0.84 3.13 2.07 -0.43 -2.79 116.25 120.59 2otj h VAL 37 Ca 0.01 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 2otj h VAL 37 Cb 1.00 1.69 0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2otj h VAL 37 CO 0.08 0.55 -0.40 0.00 0.02 0.00 0.00 177.57 177.82 2otj h ALA 38 N 0.91 -1.13 -0.17 1.67 0.00 -0.68 -2.75 119.26 117.11 2otj h ALA 38 Ca 0.02 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2otj h ALA 38 Cb 1.08 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 2otj h ALA 38 CO 0.10 -1.11 -0.22 -0.44 0.00 0.00 0.00 179.25 177.58 2otj h ASP 39 N -1.19 -0.70 -0.73 0.00 3.32 -1.55 -2.36 116.42 113.21 2otj h ASP 39 Ca -0.12 0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.20 2otj h ASP 39 Cb 0.87 0.32 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 2otj h ASP 39 CO 0.19 -0.27 0.25 0.00 -1.72 0.00 0.00 179.24 177.69 2otj h ALA 40 N 0.74 0.99 -0.70 3.45 0.00 -1.52 -0.33 119.26 121.88 2otj h ALA 40 Ca 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2otj h ALA 40 Cb 0.43 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2otj h ALA 40 CO -0.32 -0.26 0.38 0.28 0.00 0.00 0.00 179.25 179.34 2otj h VAL 41 N 0.38 1.22 0.05 0.00 2.07 -1.12 -1.69 116.25 117.15 2otj h VAL 41 Ca 0.40 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2otj h VAL 41 Cb 0.63 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2otj h VAL 41 CO -0.43 0.24 -0.02 -0.33 0.02 0.00 0.00 177.57 177.05 2otj h GLU 42 N 0.97 -0.06 0.00 1.57 5.08 -0.88 -1.61 114.58 119.64 2otj h GLU 42 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2otj h GLU 42 Cb 0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2otj h GLU 42 CO -0.04 0.24 0.00 0.93 -1.00 0.00 0.00 179.01 179.14 2otj h GLU 43 N -0.36 0.00 0.00 2.33 5.08 -0.99 0.85 114.58 121.49 2otj h GLU 43 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 2otj h GLU 43 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2otj h GLU 43 CO 0.01 0.00 -2.22 1.04 -1.00 0.00 0.00 179.01 176.84 2otj n GLN 44 N -2.89 0.68 0.00 2.33 1.13 -0.65 -4.61 117.38 113.38 2otj n GLN 44 Ca -0.01 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2otj n GLN 44 Cb 0.17 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2otj n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2otj n TYR 45 N -2.54 0.00 -3.23 1.08 4.02 -0.62 -5.06 117.16 110.82 2otj n TYR 45 Ca -0.21 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.62 2otj n TYR 45 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 2otj n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2otj n ASP 46 N -0.43 -7.09 -3.99 7.72 -0.08 0.29 -5.03 116.55 107.95 2otj n ASP 46 Ca 0.00 -0.25 -0.10 0.00 -1.51 0.00 0.00 54.79 52.93 2otj n ASP 46 Cb 0.01 -4.41 -0.07 0.00 2.34 0.00 0.00 41.12 38.98 2otj n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2otj s VAL 47 N -2.95 0.05 -0.38 5.18 -7.23 -1.23 -5.08 120.40 108.76 2otj s VAL 47 Ca 0.02 -1.44 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 2otj s VAL 47 Cb -0.00 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 35.01 2otj s VAL 47 CO 0.79 -0.21 0.21 -0.89 -0.31 0.00 0.00 175.10 174.69 2otj s THR 48 N -3.99 4.42 0.01 5.32 2.01 -1.26 -4.48 115.64 117.66 2otj s THR 48 Ca 0.20 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 2otj s THR 48 Cb 0.03 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2otj s THR 48 CO 0.03 -0.29 1.07 -0.69 -0.69 0.00 0.00 174.62 174.04 2otj s VAL 49 N 1.51 4.54 -0.23 3.82 1.01 -1.26 -1.44 120.40 128.34 2otj s VAL 49 Ca 0.02 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 2otj s VAL 49 Cb -0.20 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 31.83 2otj s VAL 49 CO 0.05 0.12 -0.07 -0.62 0.00 0.00 0.00 175.10 174.59 2otj n GLU 50 N 4.07 0.63 -3.80 2.72 -0.58 0.13 -4.88 120.64 118.92 2otj n GLU 50 Ca 0.07 0.30 -0.12 0.00 -0.42 0.00 0.00 57.16 56.99 2otj n GLU 50 Cb 0.49 -1.59 -0.09 0.00 -0.57 0.00 0.00 31.44 29.68 2otj n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2otj s GLN 51 N -2.49 0.62 -0.06 3.49 0.74 -1.08 -5.00 119.66 115.87 2otj s GLN 51 Ca -0.33 -0.31 0.01 0.00 0.05 0.00 0.00 55.36 54.79 2otj s GLN 51 Cb 0.10 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.50 2otj s GLN 51 CO 0.59 -0.17 -0.07 0.08 -0.55 0.00 0.00 175.29 175.18 2otj s VAL 52 N -1.50 0.79 -0.11 1.34 1.01 -1.26 -0.46 120.40 120.21 2otj s VAL 52 Ca -0.13 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2otj s VAL 52 Cb -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2otj s VAL 52 CO 0.02 0.29 -0.22 0.20 0.00 0.00 0.00 175.10 175.40 2otj s ASN 53 N 0.98 2.94 0.34 3.32 0.02 -0.24 -4.95 114.94 117.34 2otj s ASN 53 Ca -0.10 -0.54 0.09 0.00 -1.02 0.00 0.00 52.86 51.29 2otj s ASN 53 Cb -0.15 -1.35 -0.05 0.00 0.02 0.00 0.00 41.25 39.73 2otj s ASN 53 CO 0.00 0.11 0.09 0.42 0.02 0.00 0.00 177.10 177.74 2otj s THR 54 N 0.59 2.89 -0.27 1.60 -4.23 -1.26 0.15 115.64 115.12 2otj s THR 54 Ca -0.13 -1.80 -0.22 0.00 -1.18 0.00 0.00 61.69 58.35 2otj s THR 54 Cb -0.17 -2.91 0.08 0.00 1.34 0.00 0.00 72.50 70.85 2otj s THR 54 CO 0.04 -0.20 0.75 -1.58 -0.54 0.00 0.00 174.62 173.09 2otj s GLN 55 N -3.79 0.75 -0.57 3.99 0.74 -0.24 -4.99 119.66 115.54 2otj s GLN 55 Ca 0.36 1.01 -0.21 0.00 0.05 0.00 0.00 55.36 56.58 2otj s GLN 55 Cb -0.02 0.31 0.07 0.00 1.10 0.00 0.00 33.01 34.47 2otj s GLN 55 CO 0.21 -0.11 0.78 -0.80 -0.55 0.00 0.00 175.29 174.82 2otj s ASN 56 N 0.74 6.22 0.66 6.67 0.01 -1.26 0.05 114.94 128.03 2otj s ASN 56 Ca -0.03 -0.99 -0.16 0.00 -0.71 0.00 0.00 52.86 50.98 2otj s ASN 56 Cb -0.05 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.27 2otj s ASN 56 CO -0.06 -1.14 1.15 -0.89 -1.51 0.00 0.00 177.10 174.65 2otj s THR 57 N 3.20 2.87 -1.13 1.60 2.01 0.87 -4.90 115.64 120.15 2otj s THR 57 Ca 0.18 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2otj s THR 57 Cb -0.19 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2otj s THR 57 CO 0.11 -0.22 0.45 0.23 -0.69 0.00 0.00 174.62 174.51 2otj n MET 58 N -2.32 0.80 -0.07 4.92 2.81 -1.26 -1.77 117.12 120.22 2otj n MET 58 Ca 0.12 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.04 2otj n MET 58 Cb 0.51 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 31.74 2otj n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2otj n ASP 59 N 0.02 2.23 0.00 7.83 10.43 -1.26 -4.98 116.55 130.82 2otj n ASP 59 Ca 0.00 -1.79 0.00 0.00 2.57 0.00 0.00 54.79 55.57 2otj n ASP 59 Cb 0.17 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.04 2otj n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2otj n GLY 60 N 0.14 1.73 3.86 0.44 0.00 -0.73 -5.02 105.19 105.61 2otj n GLY 60 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2otj n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otj s GLU 61 N -0.11 2.52 -0.19 1.61 2.02 -1.26 -4.91 118.70 118.38 2otj s GLU 61 Ca 0.00 -1.54 -0.06 0.00 0.02 0.00 0.00 54.97 53.39 2otj s GLU 61 Cb 0.00 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 2otj s GLU 61 CO 0.00 -0.15 0.03 0.21 0.02 0.00 0.00 175.26 175.37 2otj s LYS 62 N -4.09 3.79 -0.18 1.61 2.20 -1.17 -0.09 119.74 121.81 2otj s LYS 62 Ca 0.46 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.55 2otj s LYS 62 Cb -0.03 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 2otj s LYS 62 CO 0.27 0.13 0.11 0.21 -0.36 0.00 0.00 175.35 175.71 2otj s LYS 63 N 0.74 4.01 -0.08 4.03 2.20 0.11 0.31 119.74 131.05 2otj s LYS 63 Ca 0.02 -0.24 0.05 0.00 -0.36 0.00 0.00 55.97 55.43 2otj s LYS 63 Cb -0.14 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2otj s LYS 63 CO 0.02 0.37 -0.23 0.00 -0.36 0.00 0.00 175.35 175.15 2otj s ALA 64 N 0.14 2.02 -0.41 3.13 0.00 0.60 -1.08 121.76 126.16 2otj s ALA 64 Ca 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2otj s ALA 64 Cb -0.11 -0.72 0.06 0.00 0.00 0.00 0.00 23.12 22.35 2otj s ALA 64 CO -0.01 0.31 0.26 0.08 0.00 0.00 0.00 175.76 176.41 2otj s VAL 65 N 0.19 4.54 -0.27 0.00 1.01 0.12 -0.36 120.40 125.63 2otj s VAL 65 Ca -0.12 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 60.64 2otj s VAL 65 Cb -0.16 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2otj s VAL 65 CO 0.06 -0.41 0.11 -0.69 0.00 0.00 0.00 175.10 174.17 2otj s VAL 66 N 1.51 4.56 -0.21 2.92 1.01 0.60 -1.08 120.40 129.71 2otj s VAL 66 Ca 0.03 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2otj s VAL 66 Cb -0.22 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2otj s VAL 66 CO 0.05 0.26 0.38 -0.60 0.00 0.00 0.00 175.10 175.19 2otj s ARG 67 N 1.64 4.14 0.53 2.72 3.52 0.39 0.08 118.95 131.97 2otj s ARG 67 Ca 0.06 0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 55.78 2otj s ARG 67 Cb -0.16 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2otj s ARG 67 CO 0.06 -0.07 0.80 -0.51 -0.81 0.00 0.00 175.30 174.76 2otj s LEU 68 N 1.41 3.43 0.69 -0.88 1.43 -0.62 0.20 118.68 124.34 2otj s LEU 68 Ca 0.18 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2otj s LEU 68 Cb -0.15 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.70 2otj s LEU 68 CO 0.08 -0.89 1.08 -0.94 0.23 0.00 0.00 176.35 175.91 2otj s SER 69 N -4.26 5.45 0.66 2.29 1.04 -0.52 -4.64 113.70 113.71 2otj s SER 69 Ca 0.51 1.08 0.38 0.00 0.48 0.00 0.00 55.95 58.40 2otj s SER 69 Cb -0.10 -1.89 2.08 0.00 0.10 0.00 0.00 66.02 66.20 2otj s SER 69 CO 0.42 -1.32 2.19 -0.33 0.98 0.00 0.00 173.24 175.18 2otj h GLU 70 N -0.61 0.00 -0.60 4.02 5.08 -1.98 -1.29 114.58 119.20 2otj h GLU 70 Ca -0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 2otj h GLU 70 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2otj h GLU 70 CO 0.63 0.00 0.12 -0.44 -1.00 0.00 0.00 179.01 178.33 2otj h ASP 71 N 0.00 0.93 -3.12 1.42 3.32 -1.95 -3.44 116.42 113.58 2otj h ASP 71 Ca 0.01 -0.25 -0.59 0.00 0.02 0.00 0.00 57.03 56.22 2otj h ASP 71 Cb 0.28 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2otj h ASP 71 CO -0.00 0.94 -0.33 -1.81 -1.72 0.00 0.00 179.24 176.32 2otj s ASP 72 N -6.33 6.49 -0.27 6.45 1.01 -0.49 -5.09 116.67 118.44 2otj s ASP 72 Ca -0.12 0.58 -0.03 0.00 0.71 0.00 0.00 52.55 53.69 2otj s ASP 72 Cb 0.13 -2.09 0.03 0.00 1.01 0.00 0.00 42.92 42.00 2otj s ASP 72 CO 0.83 0.09 -0.02 -0.62 0.21 0.00 0.00 175.17 175.65 2otj s ASP 73 N -2.32 4.59 0.15 0.27 3.68 -1.26 -4.68 116.67 117.10 2otj s ASP 73 Ca 0.39 -0.94 -0.18 0.00 2.13 0.00 0.00 52.55 53.95 2otj s ASP 73 Cb -0.12 -1.71 0.04 0.00 -1.45 0.00 0.00 42.92 39.67 2otj s ASP 73 CO 0.24 -0.17 1.69 0.00 0.13 0.00 0.00 175.17 177.06 2otj h ALA 74 N 8.05 0.23 -0.97 3.66 0.00 -1.85 -2.03 119.26 126.35 2otj h ALA 74 Ca -0.30 0.10 0.20 0.00 0.00 0.00 0.00 54.91 54.92 2otj h ALA 74 Cb 1.10 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2otj h ALA 74 CO 0.57 -0.44 0.61 1.96 0.00 0.00 0.00 179.25 181.95 2otj h GLN 75 N 0.03 0.57 -0.12 0.00 4.20 -1.95 -1.04 115.11 116.79 2otj h GLN 75 Ca 0.14 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 2otj h GLN 75 Cb 0.21 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.87 2otj h GLN 75 CO -0.28 0.38 -0.59 0.93 -0.67 0.00 0.00 178.83 178.59 2otj h GLU 76 N 0.58 0.62 -0.64 1.46 5.08 -1.80 -2.44 114.58 117.44 2otj h GLU 76 Ca 0.53 -0.50 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2otj h GLU 76 Cb 1.06 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2otj h GLU 76 CO -0.28 1.12 0.24 0.28 -1.00 0.00 0.00 179.01 179.37 2otj h VAL 77 N 0.26 1.24 0.00 3.13 2.07 -0.74 -2.63 116.25 119.59 2otj h VAL 77 Ca -0.04 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 2otj h VAL 77 Cb 1.23 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2otj h VAL 77 CO 0.12 0.30 -0.41 0.00 0.02 0.00 0.00 177.57 177.60 2otj h ALA 78 N 1.10 1.17 -0.15 1.67 0.00 -1.29 -3.14 119.26 118.62 2otj h ALA 78 Ca 0.21 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2otj h ALA 78 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2otj h ALA 78 CO -0.01 0.52 -0.53 0.66 0.00 0.00 0.00 179.25 179.88 2otj h SER 79 N 0.00 0.46 0.00 0.00 4.64 -1.07 -3.06 113.55 114.52 2otj h SER 79 Ca -0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2otj h SER 79 Cb 0.80 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2otj h SER 79 CO 0.05 0.91 0.00 -2.11 -0.87 0.00 0.00 176.83 174.81 2otj n ARG 80 N -3.95 0.42 0.00 4.77 1.85 -1.09 -5.11 116.66 113.56 2otj n ARG 80 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2otj n ARG 80 Cb 0.58 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.61 2otj n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06