#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s ARG 8 N 0.00 0.64 -0.17 5.31 1.70 -0.70 -4.99 118.95 120.73 2otj s ARG 8 Ca 0.00 -0.33 -0.06 0.00 -0.47 0.00 0.00 55.73 54.87 2otj s ARG 8 Cb 0.00 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2otj s ARG 8 CO 0.00 -0.29 0.03 0.08 -1.08 0.00 0.00 175.30 174.04 2otj s VAL 9 N -2.71 4.48 0.04 4.99 1.01 -1.26 -1.70 120.40 125.24 2otj s VAL 9 Ca 0.12 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.01 2otj s VAL 9 Cb 0.02 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2otj s VAL 9 CO -0.03 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.70 2otj s VAL 10 N 0.34 1.27 -0.41 2.92 1.01 0.42 -4.97 120.40 120.98 2otj s VAL 10 Ca 0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 2otj s VAL 10 Cb -0.13 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 35.16 2otj s VAL 10 CO 0.01 0.05 0.28 -0.89 0.00 0.00 0.00 175.10 174.56 2otj s THR 11 N -0.84 4.87 -0.27 3.92 2.01 -1.26 -0.20 115.64 123.87 2otj s THR 11 Ca 0.03 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.90 2otj s THR 11 Cb -0.08 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2otj s THR 11 CO 0.01 -0.38 0.62 -0.63 -0.69 0.00 0.00 174.62 173.56 2otj s ILE 12 N 1.59 4.98 -0.13 1.82 -1.09 -0.36 -4.92 121.20 123.08 2otj s ILE 12 Ca 0.03 1.04 -0.25 0.00 -2.23 0.00 0.00 60.65 59.24 2otj s ILE 12 Cb -0.21 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.70 2otj s ILE 12 CO 0.07 -0.02 0.79 -2.16 -1.23 0.00 0.00 174.94 172.39 2otj s PRO 13 N 2.52 4.34 -0.42 2.79 0.04 -1.26 -2.12 135.00 140.89 2otj s PRO 13 Ca 0.26 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.31 2otj s PRO 13 Cb -0.15 -3.53 0.50 0.00 0.04 0.00 0.00 34.50 31.36 2otj s PRO 13 CO 0.09 -0.20 1.63 1.28 0.04 0.00 0.00 177.00 179.84 2otj n LEU 14 N 4.76 5.73 0.20 -3.56 4.77 -0.16 -4.61 117.00 124.12 2otj n LEU 14 Ca 0.03 -4.14 0.13 0.00 -0.03 0.00 0.00 56.01 52.00 2otj n LEU 14 Cb 0.50 -0.70 0.33 0.00 -2.33 0.00 0.00 43.42 41.22 2otj n LEU 14 CO 0.48 1.50 0.86 0.08 -1.33 0.00 0.00 177.39 178.98 2otj h ARG 15 N 1.57 0.00 0.00 3.23 0.11 -1.92 -3.13 114.38 114.24 2otj h ARG 15 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 2otj h ARG 15 Cb 1.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 2otj h ARG 15 CO 0.93 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.75 2otj n ASP 16 N -2.86 0.00 0.15 0.08 8.00 -1.26 -2.79 116.55 117.87 2otj n ASP 16 Ca 0.04 -0.12 0.13 0.00 0.71 0.00 0.00 54.79 55.54 2otj n ASP 16 Cb 0.45 -0.28 0.34 0.00 -0.02 0.00 0.00 41.12 41.61 2otj n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otj h ALA 17 N 3.34 1.00 0.00 2.24 0.00 -1.90 -3.18 119.26 120.77 2otj h ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2otj h ALA 17 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2otj h ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2otj n ARG 18 N -2.58 0.17 0.19 0.00 1.74 -1.12 -1.95 116.66 113.11 2otj n ARG 18 Ca 0.05 0.44 0.09 0.00 -0.77 0.00 0.00 57.85 57.66 2otj n ARG 18 Cb 0.45 -1.85 0.12 0.00 -1.02 0.00 0.00 32.46 30.16 2otj n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2otj h ALA 19 N 2.24 0.89 -2.61 7.54 0.00 -1.78 -3.45 119.26 122.10 2otj h ALA 19 Ca 0.00 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.22 2otj h ALA 19 Cb 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2otj h ALA 19 CO 0.00 0.19 -0.01 -2.00 0.00 0.00 0.00 179.25 177.43 2otj s GLU 20 N -3.14 4.14 0.10 0.00 2.56 -0.82 -5.00 118.70 116.54 2otj s GLU 20 Ca 0.06 0.69 -0.36 0.00 0.00 0.00 0.00 54.97 55.36 2otj s GLU 20 Cb 0.06 -3.01 -0.17 0.00 2.00 0.00 0.00 34.13 33.01 2otj s GLU 20 CO 0.69 0.50 1.20 -0.35 -0.56 0.00 0.00 175.26 176.75 2otj n PRO 21 N 1.06 0.89 -0.33 4.30 -0.04 -1.26 -4.74 135.00 134.88 2otj n PRO 21 Ca -0.06 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2otj n PRO 21 Cb 0.51 -1.86 0.23 0.00 -0.04 0.00 0.00 33.50 32.34 2otj n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2otj h ASN 22 N 3.75 -0.58 0.00 3.54 2.35 -1.90 -0.25 115.58 122.49 2otj h ASN 22 Ca -0.46 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2otj h ASN 22 Cb 1.36 0.50 0.00 0.00 0.05 0.00 0.00 38.32 40.23 2otj h ASN 22 CO 0.72 -0.33 0.00 0.00 -1.65 0.00 0.00 177.43 176.18 2otj n HIS 23 N -5.51 0.00 -0.48 1.19 1.44 -1.26 -2.19 115.22 108.41 2otj n HIS 23 Ca 0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 2otj n HIS 23 Cb 0.65 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.76 2otj n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2otj n LYS 24 N -0.94 1.34 -0.28 -1.40 5.02 -0.11 -4.50 118.16 117.30 2otj n LYS 24 Ca 0.06 -0.94 0.06 0.00 -2.02 0.00 0.00 58.31 55.46 2otj n LYS 24 Cb 0.03 -0.76 0.16 0.00 -0.02 0.00 0.00 35.03 34.44 2otj n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2otj h ARG 25 N 0.00 0.06 -0.91 1.97 3.08 -1.17 -1.17 114.38 116.25 2otj h ARG 25 Ca 0.00 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.24 2otj h ARG 25 Cb 0.69 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 2otj h ARG 25 CO 0.00 0.04 0.46 0.00 -1.07 0.00 0.00 179.97 179.40 2otj h ALA 26 N 1.78 1.46 -0.03 0.04 0.00 -1.27 0.76 119.26 122.00 2otj h ALA 26 Ca 0.43 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2otj h ALA 26 Cb 0.75 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2otj h ALA 26 CO -0.75 -0.22 0.01 -0.44 0.00 0.00 0.00 179.25 177.85 2otj h ASP 27 N 0.54 0.04 -0.26 0.00 3.45 -1.47 -2.28 116.42 116.43 2otj h ASP 27 Ca 0.54 -0.22 -0.04 0.00 0.43 0.00 0.00 57.03 57.74 2otj h ASP 27 Cb 0.94 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.68 2otj h ASP 27 CO -0.45 0.25 0.03 0.50 -1.57 0.00 0.00 179.24 178.00 2otj h LYS 28 N -0.18 0.54 0.24 3.56 1.63 -1.16 -2.56 116.57 118.64 2otj h LYS 28 Ca 0.01 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2otj h LYS 28 Cb 0.23 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2otj h LYS 28 CO 0.00 0.54 -0.24 0.00 -3.45 0.00 0.00 179.45 176.31 2otj h ALA 29 N 1.52 -0.49 -0.37 5.00 0.00 -0.66 0.69 119.26 124.95 2otj h ALA 29 Ca 0.12 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2otj h ALA 29 Cb 0.29 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2otj h ALA 29 CO 0.01 -0.80 0.27 1.98 0.00 0.00 0.00 179.25 180.70 2otj h MET 30 N -0.51 0.00 0.03 0.00 1.85 -1.03 -1.60 114.93 113.68 2otj h MET 30 Ca -0.00 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2otj h MET 30 Cb 0.47 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.50 2otj h MET 30 CO -0.05 0.00 -0.01 0.82 -0.40 0.00 0.00 176.91 177.27 2otj h ILE 31 N 0.00 1.41 -1.03 1.77 2.04 -1.01 -3.15 117.51 117.54 2otj h ILE 31 Ca 0.18 -1.78 0.26 0.00 1.00 0.00 0.00 64.86 64.52 2otj h ILE 31 Cb 0.71 2.53 -0.11 0.00 -0.74 0.00 0.00 36.82 39.21 2otj h ILE 31 CO -0.00 0.43 0.64 -0.07 0.00 0.00 0.00 178.15 179.14 2otj h LEU 32 N -0.86 0.56 0.14 1.44 3.38 0.02 0.53 115.31 120.51 2otj h LEU 32 Ca -0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2otj h LEU 32 Cb 0.73 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2otj h LEU 32 CO 0.01 0.08 -0.07 0.40 0.09 0.00 0.00 178.44 178.95 2otj h ILE 33 N 0.48 0.95 -0.93 1.22 2.04 -1.43 0.22 117.51 120.06 2otj h ILE 33 Ca 0.63 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 66.15 2otj h ILE 33 Cb 1.40 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 2otj h ILE 33 CO -0.40 0.09 0.61 -0.09 0.00 0.00 0.00 178.15 178.36 2otj h ARG 34 N -0.36 1.16 -0.20 2.37 2.43 -0.95 -0.90 114.38 117.94 2otj h ARG 34 Ca -0.02 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 2otj h ARG 34 Cb 0.29 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2otj h ARG 34 CO 0.03 0.77 -0.25 0.93 -1.51 0.00 0.00 179.97 179.94 2otj h GLU 35 N 1.20 0.37 0.21 0.20 5.08 -0.80 -1.76 114.58 119.08 2otj h GLU 35 Ca 0.36 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2otj h GLU 35 Cb -0.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2otj h GLU 35 CO -0.11 0.60 -0.10 1.25 -1.00 0.00 0.00 179.01 179.65 2otj h HIS 36 N 0.33 -0.27 -0.77 4.33 2.76 -0.10 -2.73 115.15 118.71 2otj h HIS 36 Ca 0.05 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2otj h HIS 36 Cb 0.63 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.64 2otj h HIS 36 CO 0.02 0.13 0.51 -0.07 -1.30 0.00 0.00 177.93 177.21 2otj h LEU 37 N -0.81 0.83 -0.39 0.26 3.38 -1.20 0.63 115.31 118.01 2otj h LEU 37 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2otj h LEU 37 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2otj h LEU 37 CO 0.05 0.59 0.22 0.00 0.09 0.00 0.00 178.44 179.39 2otj h ALA 38 N 1.54 0.50 0.25 1.53 0.00 -1.35 0.10 119.26 121.84 2otj h ALA 38 Ca 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2otj h ALA 38 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2otj h ALA 38 CO -0.08 0.02 -0.12 -0.22 0.00 0.00 0.00 179.25 178.85 2otj h LYS 39 N 0.51 -0.33 0.00 0.00 3.64 -1.07 -1.05 116.57 118.27 2otj h LYS 39 Ca 0.14 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2otj h LYS 39 Cb 0.04 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2otj h LYS 39 CO -0.02 0.03 -0.01 0.45 -2.27 0.00 0.00 179.45 177.64 2otj h HIS 40 N -0.82 0.00 -0.28 1.91 3.86 -0.89 -2.76 115.15 116.17 2otj h HIS 40 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2otj h HIS 40 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2otj h HIS 40 CO 0.05 0.01 0.00 1.19 0.86 0.00 0.00 177.93 180.03 2otj n PHE 41 N -3.10 0.37 -3.66 2.45 3.01 0.35 -5.00 117.46 111.88 2otj n PHE 41 Ca -0.00 -0.30 -0.28 0.00 1.01 0.00 0.00 57.45 57.88 2otj n PHE 41 Cb 0.25 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.75 2otj n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2otj n SER 42 N 0.85 -4.65 -3.94 4.37 7.64 -0.90 -5.01 113.62 111.99 2otj n SER 42 Ca 0.13 -0.96 -0.13 0.00 1.01 0.00 0.00 58.87 58.91 2otj n SER 42 Cb 0.44 -3.63 -0.08 0.00 -1.01 0.00 0.00 64.21 59.93 2otj n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2otj s VAL 43 N -3.52 0.00 0.20 0.44 1.01 -0.45 -5.02 120.40 113.06 2otj s VAL 43 Ca 0.39 -1.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.33 2otj s VAL 43 Cb -0.13 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 2otj s VAL 43 CO 0.84 0.00 0.64 -1.81 0.00 0.00 0.00 175.10 174.78 2otj s ASP 44 N -3.18 6.93 0.42 3.32 1.11 -1.26 -4.49 116.67 119.52 2otj s ASP 44 Ca 0.36 1.25 0.11 0.00 0.18 0.00 0.00 52.55 54.45 2otj s ASP 44 Cb 0.04 -2.35 0.96 0.00 1.07 0.00 0.00 42.92 42.64 2otj s ASP 44 CO 0.15 0.04 2.01 -0.33 1.18 0.00 0.00 175.17 178.22 2otj h GLU 45 N 3.38 0.46 0.00 8.23 5.08 -1.91 0.96 114.58 130.78 2otj h GLU 45 Ca -0.48 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2otj h GLU 45 Cb 1.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2otj h GLU 45 CO 0.66 0.30 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.36 2otj h ASP 46 N 0.47 0.00 0.10 1.42 3.32 -1.96 -2.63 116.42 117.14 2otj h ASP 46 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2otj h ASP 46 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2otj h ASP 46 CO -0.06 0.17 -0.15 0.00 -1.72 0.00 0.00 179.24 177.48 2otj n ALA 47 N -2.34 2.86 -2.63 3.45 0.00 0.32 -4.86 120.51 117.32 2otj n ALA 47 Ca -0.02 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 2otj n ALA 47 Cb 0.27 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 2otj n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2otj s VAL 48 N -2.26 5.05 -0.28 0.00 1.01 -0.99 -2.39 120.40 120.53 2otj s VAL 48 Ca 0.30 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 2otj s VAL 48 Cb 0.20 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2otj s VAL 48 CO 0.43 0.08 0.10 -0.60 0.00 0.00 0.00 175.10 175.11 2otj s ARG 49 N 2.26 3.39 -0.35 2.72 3.52 0.40 -4.98 118.95 125.90 2otj s ARG 49 Ca 0.23 -0.66 -0.16 0.00 -0.13 0.00 0.00 55.73 55.01 2otj s ARG 49 Cb -0.16 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 2otj s ARG 49 CO 0.09 -0.33 0.41 -0.51 -0.81 0.00 0.00 175.30 174.14 2otj s LEU 50 N 1.58 4.46 0.34 -0.88 1.43 -1.26 -0.89 118.68 123.46 2otj s LEU 50 Ca 0.05 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2otj s LEU 50 Cb -0.16 -2.41 -0.11 0.00 0.03 0.00 0.00 46.19 43.54 2otj s LEU 50 CO 0.04 -0.40 1.43 -0.62 0.23 0.00 0.00 176.35 177.03 2otj s ASP 51 N 1.75 6.52 0.59 2.29 -1.08 0.59 -4.85 116.67 122.49 2otj s ASP 51 Ca 0.14 2.88 0.32 0.00 -0.52 0.00 0.00 52.55 55.37 2otj s ASP 51 Cb -0.16 -2.65 1.15 0.00 -1.46 0.00 0.00 42.92 39.80 2otj s ASP 51 CO 0.12 -0.75 1.42 -0.65 0.52 0.00 0.00 175.17 175.83 2otj h PRO 52 N 3.51 0.00 -0.91 4.34 0.11 -1.97 0.89 132.00 137.97 2otj h PRO 52 Ca -0.49 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.68 2otj h PRO 52 Cb 1.23 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 2otj h PRO 52 CO 0.67 0.00 0.57 0.66 -0.21 0.00 0.00 178.00 179.70 2otj h SER 53 N 0.00 0.90 -0.36 -2.05 4.64 -1.93 0.55 113.55 115.30 2otj h SER 53 Ca 0.57 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.87 2otj h SER 53 Cb 2.98 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 64.88 2otj h SER 53 CO -0.01 0.57 0.08 0.40 -0.87 0.00 0.00 176.83 177.00 2otj h ILE 54 N 1.03 1.23 -0.16 0.95 2.04 -1.16 0.16 117.51 121.61 2otj h ILE 54 Ca 0.40 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.51 2otj h ILE 54 Cb 0.20 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2otj h ILE 54 CO -0.18 0.27 -0.04 -1.13 0.00 0.00 0.00 178.15 177.07 2otj h ASN 55 N 0.43 -0.14 0.15 1.72 -1.24 -1.36 -1.57 115.58 113.57 2otj h ASN 55 Ca 0.11 0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 2otj h ASN 55 Cb 0.32 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2otj h ASN 55 CO 0.00 -0.05 -0.26 -0.33 -1.29 0.00 0.00 177.43 175.51 2otj h GLU 56 N 0.01 0.20 0.07 6.67 5.08 -0.78 -2.06 114.58 123.76 2otj h GLU 56 Ca 0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2otj h GLU 56 Cb 0.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2otj h GLU 56 CO -0.16 0.45 -0.03 0.00 -1.00 0.00 0.00 179.01 178.27 2otj h ALA 57 N 1.56 -0.09 -0.34 3.43 0.00 -0.21 -1.40 119.26 122.21 2otj h ALA 57 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2otj h ALA 57 Cb 0.56 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2otj h ALA 57 CO 0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 179.25 178.65 2otj h ALA 58 N 0.77 1.14 -0.01 0.00 0.00 -1.03 -2.93 119.26 117.19 2otj h ALA 58 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2otj h ALA 58 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2otj h ALA 58 CO 0.01 0.54 -0.09 0.91 0.00 0.00 0.00 179.25 180.63 2otj n TRP 59 N -4.18 0.00 -0.37 0.00 7.02 -0.80 -4.54 117.44 114.57 2otj n TRP 59 Ca 0.01 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.51 2otj n TRP 59 Cb 0.34 -0.06 0.08 0.00 -2.42 0.00 0.00 31.31 29.25 2otj n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2otj n ALA 60 N -0.35 0.02 -1.30 6.99 0.00 -0.54 -1.05 120.51 124.28 2otj n ALA 60 Ca 0.17 1.02 -0.33 0.00 0.00 0.00 0.00 53.44 54.30 2otj n ALA 60 Cb 0.32 -0.52 0.10 0.00 0.00 0.00 0.00 19.45 19.34 2otj n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2otj n ARG 61 N -5.51 2.60 0.00 0.00 1.74 -1.26 -5.04 116.66 109.19 2otj n ARG 61 Ca 0.12 -3.22 0.00 0.00 -0.77 0.00 0.00 57.85 53.99 2otj n ARG 61 Cb 0.43 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 2otj n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otj n GLY 62 N -0.95 -2.49 0.19 -0.13 0.00 -0.21 -3.92 105.19 97.68 2otj n GLY 62 Ca 0.62 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 45.01 2otj n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2otj h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.89 -3.35 114.38 113.18 2otj h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2otj h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2otj h ARG 63 CO 0.00 0.08 -0.98 0.00 -1.51 0.00 0.00 179.97 177.57 2otj n ALA 64 N -2.14 4.44 -3.81 2.80 0.00 -1.26 -0.81 120.51 119.73 2otj n ALA 64 Ca 0.03 -0.55 -0.31 0.00 0.00 0.00 0.00 53.44 52.61 2otj n ALA 64 Cb 0.57 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 2otj n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2otj s ASN 65 N -2.92 5.19 0.01 0.00 0.01 -1.25 -4.76 114.94 111.22 2otj s ASN 65 Ca 0.06 -3.69 -0.07 0.00 -0.71 0.00 0.00 52.86 48.45 2otj s ASN 65 Cb 0.15 -1.74 -0.05 0.00 0.41 0.00 0.00 41.25 40.02 2otj s ASN 65 CO 0.80 -0.14 0.29 -0.89 -1.51 0.00 0.00 177.10 175.64 2otj s THR 66 N -1.25 5.27 0.33 1.60 2.01 -1.26 -4.14 115.64 118.19 2otj s THR 66 Ca 0.25 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 2otj s THR 66 Cb -0.08 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 2otj s THR 66 CO -0.13 0.37 1.36 -2.16 -0.69 0.00 0.00 174.62 173.37 2otj s PRO 67 N -1.73 4.30 0.17 4.92 0.04 -1.26 -4.90 135.00 136.54 2otj s PRO 67 Ca 0.28 2.29 0.14 0.00 0.04 0.00 0.00 61.00 63.74 2otj s PRO 67 Cb -0.13 -3.06 0.69 0.00 0.04 0.00 0.00 34.50 32.04 2otj s PRO 67 CO 0.16 -0.28 1.42 -1.13 0.04 0.00 0.00 177.00 177.20 2otj n SER 68 N 0.93 0.33 -2.74 6.66 3.41 -1.26 -4.67 113.62 116.27 2otj n SER 68 Ca 0.01 0.64 -0.13 0.00 -0.26 0.00 0.00 58.87 59.12 2otj n SER 68 Cb 0.41 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 2otj n SER 68 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2otj n LYS 69 N -1.92 0.58 -3.35 4.33 5.02 -1.26 -0.99 118.16 120.56 2otj n LYS 69 Ca -0.00 -2.46 0.02 0.00 -2.02 0.00 0.00 58.31 53.85 2otj n LYS 69 Cb 0.06 2.32 -0.04 0.00 -0.02 0.00 0.00 35.03 37.34 2otj n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2otj s ILE 70 N -2.81 -0.21 -0.02 -0.18 2.07 -0.90 -4.87 121.20 114.29 2otj s ILE 70 Ca 0.26 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.21 2otj s ILE 70 Cb -0.01 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2otj s ILE 70 CO 0.19 0.00 0.95 -0.13 -1.91 0.00 0.00 174.94 174.04 2otj s ARG 71 N 2.02 4.53 -0.00 3.50 0.52 -1.26 -1.22 118.95 127.04 2otj s ARG 71 Ca -0.02 1.36 0.01 0.00 -0.52 0.00 0.00 55.73 56.55 2otj s ARG 71 Cb -0.03 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.98 2otj s ARG 71 CO -0.16 -0.06 -0.02 0.54 0.02 0.00 0.00 175.30 175.62 2otj s VAL 72 N 1.08 0.17 -0.23 3.52 0.11 0.73 -3.85 120.40 121.93 2otj s VAL 72 Ca 0.50 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.40 2otj s VAL 72 Cb -0.20 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 2otj s VAL 72 CO 0.26 0.06 0.10 -0.60 -3.33 0.00 0.00 175.10 171.59 2otj s ARG 73 N 0.08 3.88 -0.00 1.54 3.52 0.27 -0.43 118.95 127.81 2otj s ARG 73 Ca -0.00 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2otj s ARG 73 Cb -0.02 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2otj s ARG 73 CO -0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 175.30 174.39 2otj s ALA 74 N 1.10 0.95 0.00 6.12 0.00 -0.69 -0.92 121.76 128.32 2otj s ALA 74 Ca 0.05 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2otj s ALA 74 Cb -0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2otj s ALA 74 CO 0.04 0.22 -0.14 0.00 0.00 0.00 0.00 175.76 175.88 2otj s ALA 75 N -0.37 2.74 -0.11 0.00 0.00 -0.50 -1.73 121.76 121.79 2otj s ALA 75 Ca 0.04 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2otj s ALA 75 Cb -0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2otj s ALA 75 CO -0.00 0.58 -0.19 0.50 0.00 0.00 0.00 175.76 176.64 2otj s ARG 76 N -1.23 3.19 0.00 0.00 3.52 -1.26 -2.16 118.95 121.01 2otj s ARG 76 Ca 0.14 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2otj s ARG 76 Cb -0.11 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 2otj s ARG 76 CO 0.05 0.19 0.00 1.97 -0.81 0.00 0.00 175.30 176.69 2otj n PHE 77 N 3.54 -0.27 -0.13 5.12 1.16 -0.90 -4.73 117.46 121.26 2otj n PHE 77 Ca -0.19 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.41 2otj n PHE 77 Cb 0.53 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.39 2otj n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 2otj n GLU 78 N 0.00 -0.29 0.27 3.97 2.13 -1.26 -1.75 120.64 123.70 2otj n GLU 78 Ca 0.00 0.22 0.14 0.00 0.66 0.00 0.00 57.16 58.18 2otj n GLU 78 Cb 0.00 -0.35 0.76 0.00 0.27 0.00 0.00 31.44 32.12 2otj n GLU 78 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2otj h GLU 79 N -0.13 0.00 0.00 5.31 -0.00 -2.03 -3.12 114.58 114.61 2otj h GLU 79 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.15 2otj h GLU 79 Cb 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.84 2otj h GLU 79 CO 0.00 0.10 -2.00 -1.91 -0.00 0.00 0.00 179.01 175.21 2otj n GLU 80 N -3.53 1.13 -0.39 1.06 2.13 -1.26 -5.09 120.64 114.68 2otj n GLU 80 Ca -0.02 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2otj n GLU 80 Cb 0.24 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2otj n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2otj n GLY 81 N 1.86 -0.56 3.57 8.31 0.00 -1.18 -5.04 105.19 112.16 2otj n GLY 81 Ca -0.19 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 2otj n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2otj s GLU 82 N -1.12 1.73 -0.02 1.61 4.04 -0.72 -4.67 118.70 119.54 2otj s GLU 82 Ca 0.00 -1.45 0.01 0.00 0.04 0.00 0.00 54.97 53.57 2otj s GLU 82 Cb 0.00 0.47 0.02 0.00 0.02 0.00 0.00 34.13 34.64 2otj s GLU 82 CO 0.00 -0.73 -0.01 0.00 -1.84 0.00 0.00 175.26 172.69 2otj s ALA 83 N -3.54 0.31 -0.17 -0.84 0.00 -1.00 -2.11 121.76 114.41 2otj s ALA 83 Ca 0.25 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2otj s ALA 83 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2otj s ALA 83 CO 0.13 -0.04 0.03 0.42 0.00 0.00 0.00 175.76 176.30 2otj s ILE 84 N 0.80 4.48 0.08 0.00 1.01 -0.92 -0.46 121.20 126.19 2otj s ILE 84 Ca -0.08 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.48 2otj s ILE 84 Cb -0.11 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2otj s ILE 84 CO -0.01 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 2otj s VAL 85 N 0.31 1.17 0.27 2.92 1.01 -0.06 -1.41 120.40 124.60 2otj s VAL 85 Ca 0.01 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 2otj s VAL 85 Cb -0.13 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 2otj s VAL 85 CO 0.01 -0.22 0.48 -1.83 0.00 0.00 0.00 175.10 173.55 2otj s GLU 86 N -1.79 1.64 1.15 2.72 -1.05 -0.10 -0.30 118.70 120.97 2otj s GLU 86 Ca -0.01 -1.36 -0.19 0.00 -0.15 0.00 0.00 54.97 53.26 2otj s GLU 86 Cb -0.10 0.47 0.28 0.00 -0.44 0.00 0.00 34.13 34.34 2otj s GLU 86 CO 0.02 -0.68 1.21 0.00 0.95 0.00 0.00 175.26 176.76 2otj s ALA 87 N -3.76 1.16 0.00 -0.84 0.00 -1.26 -0.56 121.76 116.49 2otj s ALA 87 Ca 0.24 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2otj s ALA 87 Cb -0.01 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2otj s ALA 87 CO 0.11 -3.32 0.06 0.39 0.00 0.00 0.00 175.76 173.00