#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s HIS 2 N 0.00 3.06 -0.30 1.12 3.76 0.74 -4.36 115.29 119.31 2otj s HIS 2 Ca 0.00 -0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 54.76 2otj s HIS 2 Cb 0.00 -1.40 0.03 0.00 1.11 0.00 0.00 32.58 32.32 2otj s HIS 2 CO 0.00 0.53 0.04 0.00 -0.85 0.00 0.00 174.74 174.46 2otj s ALA 3 N -2.08 2.93 -0.02 -1.40 0.00 0.77 -0.06 121.76 121.90 2otj s ALA 3 Ca 0.32 -1.61 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 2otj s ALA 3 Cb -0.08 -2.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 2otj s ALA 3 CO 0.24 -1.10 0.49 -0.51 0.00 0.00 0.00 175.76 174.88 2otj s LEU 4 N 1.38 4.42 -0.07 0.00 1.43 0.12 -3.06 118.68 122.89 2otj s LEU 4 Ca -0.01 1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 54.09 2otj s LEU 4 Cb -0.18 -2.74 0.03 0.00 0.03 0.00 0.00 46.19 43.33 2otj s LEU 4 CO 0.00 0.18 0.01 -0.69 0.23 0.00 0.00 176.35 176.09 2otj s VAL 5 N -0.44 0.30 0.01 -1.59 1.01 0.20 -0.89 120.40 118.99 2otj s VAL 5 Ca 0.27 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 2otj s VAL 5 Cb -0.17 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 2otj s VAL 5 CO 0.14 0.22 1.27 -1.58 0.00 0.00 0.00 175.10 175.14 2otj s GLN 6 N 2.00 4.36 -0.00 2.72 0.74 -0.97 -1.01 119.66 127.50 2otj s GLN 6 Ca 0.05 1.81 0.01 0.00 0.05 0.00 0.00 55.36 57.27 2otj s GLN 6 Cb -0.12 -3.48 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 2otj s GLN 6 CO -0.05 -0.42 0.02 1.28 -0.55 0.00 0.00 175.29 175.56 2otj n LEU 7 N 4.77 0.01 -4.30 3.68 4.77 -0.86 -0.61 117.00 124.46 2otj n LEU 7 Ca 0.11 -0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 55.54 2otj n LEU 7 Cb 0.45 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 2otj n LEU 7 CO 0.56 0.00 -0.55 -0.13 -1.33 0.00 0.00 177.39 175.94 2otj s ARG 8 N -1.57 2.42 1.46 3.23 0.52 -1.17 -4.92 118.95 118.92 2otj s ARG 8 Ca -0.00 -0.89 -0.23 0.00 -0.52 0.00 0.00 55.73 54.09 2otj s ARG 8 Cb 0.00 -2.15 0.38 0.00 0.52 0.00 0.00 34.95 33.70 2otj s ARG 8 CO 0.02 0.46 0.90 0.20 0.02 0.00 0.00 175.30 176.90 2otj s GLY 9 N -0.35 1.38 0.18 -3.53 0.00 -1.26 -4.89 107.32 98.86 2otj s GLY 9 Ca 0.02 -0.78 0.17 0.00 0.00 0.00 0.00 44.72 44.13 2otj s GLY 9 CO 0.02 0.25 1.14 1.05 0.00 0.00 0.00 173.10 175.55 2otj h GLU 10 N -3.56 0.00 -6.75 2.90 4.11 -1.97 -3.44 114.58 105.88 2otj h GLU 10 Ca -0.43 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.47 2otj h GLU 10 Cb 1.35 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.66 2otj h GLU 10 CO 0.28 0.34 0.81 0.08 0.07 0.00 0.00 179.01 180.59 2otj s VAL 11 N -3.00 2.47 0.00 -1.06 1.01 -1.26 -1.80 120.40 116.76 2otj s VAL 11 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2otj s VAL 11 Cb 0.08 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2otj s VAL 11 CO 0.78 0.06 0.00 0.59 0.00 0.00 0.00 175.10 176.52 2otj n ASN 12 N 2.48 -4.17 -4.74 3.32 3.02 -1.26 -4.96 115.26 108.95 2otj n ASN 12 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 2otj n ASN 12 Cb 0.39 -2.44 -0.05 0.00 -0.61 0.00 0.00 39.78 37.07 2otj n ASN 12 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2otj s MET 13 N -1.27 4.47 0.43 3.52 1.75 -0.75 -5.00 119.30 122.46 2otj s MET 13 Ca 0.00 1.01 -0.23 0.00 -1.25 0.00 0.00 55.69 55.22 2otj s MET 13 Cb 0.00 -3.39 -0.11 0.00 2.84 0.00 0.00 34.83 34.18 2otj s MET 13 CO 0.00 0.22 0.89 0.72 -0.65 0.00 0.00 175.02 176.20 2otj n HIS 14 N 3.10 0.74 -0.10 4.11 8.25 -1.26 -4.80 115.22 125.26 2otj n HIS 14 Ca -0.02 0.56 -0.11 0.00 -0.26 0.00 0.00 57.72 57.90 2otj n HIS 14 Cb 0.51 -2.16 -0.03 0.00 1.12 0.00 0.00 29.99 29.42 2otj n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2otj h THR 15 N 1.27 1.23 0.00 1.59 2.02 -1.96 -1.83 112.91 115.24 2otj h THR 15 Ca -0.44 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 2otj h THR 15 Cb 1.36 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2otj h THR 15 CO 0.55 0.26 -0.07 -2.24 0.37 0.00 0.00 175.52 174.39 2otj h ASP 16 N 0.29 0.00 0.02 4.18 2.03 -1.99 0.11 116.42 121.08 2otj h ASP 16 Ca 0.09 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.26 2otj h ASP 16 Cb 0.34 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.85 2otj h ASP 16 CO 0.01 0.07 -0.49 0.40 -1.03 0.00 0.00 179.24 178.19 2otj h ILE 17 N 0.00 1.50 -0.82 4.15 2.04 -1.88 -2.69 117.51 119.80 2otj h ILE 17 Ca -0.00 -2.13 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 2otj h ILE 17 Cb 0.16 2.79 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 2otj h ILE 17 CO 0.01 0.60 0.49 -0.61 0.00 0.00 0.00 178.15 178.64 2otj h GLN 18 N -0.32 1.12 -0.00 2.37 4.15 -0.54 -0.83 115.11 121.05 2otj h GLN 18 Ca -0.07 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 2otj h GLN 18 Cb 1.26 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 2otj h GLN 18 CO 0.10 0.79 -0.36 -0.44 -1.93 0.00 0.00 178.83 176.99 2otj h ASP 19 N 1.14 0.00 -0.28 -0.69 3.32 -0.85 -1.57 116.42 117.49 2otj h ASP 19 Ca 0.30 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 2otj h ASP 19 Cb -0.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2otj h ASP 19 CO -0.05 0.36 -0.50 0.74 -1.72 0.00 0.00 179.24 178.07 2otj h THR 20 N 0.00 1.28 -0.49 0.35 2.02 -0.84 -1.22 112.91 114.02 2otj h THR 20 Ca -0.00 -1.69 -0.03 0.00 0.77 0.00 0.00 66.41 65.46 2otj h THR 20 Cb 0.64 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2otj h THR 20 CO 0.05 0.55 0.18 -0.07 0.37 0.00 0.00 175.52 176.59 2otj h LEU 21 N 0.60 0.64 -0.45 2.58 3.38 -0.82 -1.04 115.31 120.20 2otj h LEU 21 Ca 0.02 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2otj h LEU 21 Cb 1.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2otj h LEU 21 CO 0.11 0.59 -0.62 -0.33 0.09 0.00 0.00 178.44 178.28 2otj h GLU 22 N 0.69 0.00 0.00 1.13 5.08 -1.15 -0.75 114.58 119.58 2otj h GLU 22 Ca 0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2otj h GLU 22 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2otj h GLU 22 CO -0.01 0.62 -0.34 0.52 -1.00 0.00 0.00 179.01 178.80 2otj h MET 23 N 0.00 0.00 -0.77 2.33 2.86 -0.45 -2.36 114.93 116.54 2otj h MET 23 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2otj h MET 23 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2otj h MET 23 CO 0.08 0.34 0.00 1.28 1.06 0.00 0.00 176.91 179.67 2otj n LEU 24 N -3.34 3.35 -1.59 1.22 4.77 -0.47 -4.90 117.00 116.05 2otj n LEU 24 Ca 0.01 -1.70 -0.19 0.00 -0.03 0.00 0.00 56.01 54.10 2otj n LEU 24 Cb 0.56 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2otj n LEU 24 CO 0.37 0.45 -0.19 0.59 -1.33 0.00 0.00 177.39 177.27 2otj n ASN 25 N 0.33 -5.38 -4.29 -1.43 3.02 -0.89 -4.86 115.26 101.77 2otj n ASN 25 Ca 0.14 0.41 -0.33 0.00 -0.03 0.00 0.00 54.58 54.77 2otj n ASN 25 Cb 0.71 -4.58 -0.15 0.00 -0.61 0.00 0.00 39.78 35.16 2otj n ASN 25 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2otj s ILE 26 N -2.76 2.73 0.00 2.41 -4.36 -0.32 -4.68 121.20 114.23 2otj s ILE 26 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.63 2otj s ILE 26 Cb 0.00 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.56 2otj s ILE 26 CO 0.00 0.52 0.11 1.41 0.24 0.00 0.00 174.94 177.22 2otj n HIS 27 N 3.92 0.00 -4.23 1.37 8.25 -1.26 -3.23 115.22 120.04 2otj n HIS 27 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.14 2otj n HIS 27 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 2otj n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2otj s HIS 28 N -0.54 1.18 0.33 4.41 3.76 -1.26 -5.05 115.29 118.12 2otj s HIS 28 Ca 0.00 -0.98 -0.28 0.00 -0.15 0.00 0.00 55.06 53.65 2otj s HIS 28 Cb 0.00 -0.67 -0.09 0.00 1.11 0.00 0.00 32.58 32.93 2otj s HIS 28 CO 0.00 -0.17 1.17 0.08 -0.85 0.00 0.00 174.74 174.97 2otj s VAL 29 N -3.62 3.18 0.00 -0.90 1.01 -1.26 -2.80 120.40 116.01 2otj s VAL 29 Ca 0.22 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.32 2otj s VAL 29 Cb 0.06 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2otj s VAL 29 CO 0.02 0.22 0.00 0.59 0.00 0.00 0.00 175.10 175.93 2otj n ASN 30 N 0.71 0.00 -4.77 3.32 3.02 0.22 -4.98 115.26 112.79 2otj n ASN 30 Ca 0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.18 2otj n ASN 30 Cb 0.45 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 2otj n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2otj s HIS 31 N -3.73 3.68 0.13 3.10 3.76 -1.12 -2.65 115.29 118.45 2otj s HIS 31 Ca 0.00 1.78 0.10 0.00 -0.15 0.00 0.00 55.06 56.80 2otj s HIS 31 Cb 0.00 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 2otj s HIS 31 CO 0.00 0.05 -0.25 0.00 -0.85 0.00 0.00 174.74 173.69 2otj s THR 33 N -1.14 0.12 -0.27 0.00 -1.32 -0.07 0.74 115.64 113.71 2otj s THR 33 Ca 0.13 -0.98 -0.07 0.00 -1.21 0.00 0.00 61.69 59.55 2otj s THR 33 Cb -0.10 -0.65 -0.02 0.00 -1.51 0.00 0.00 72.50 70.23 2otj s THR 33 CO 0.06 -0.54 0.08 -0.76 -2.21 0.00 0.00 174.62 171.25 2otj s LEU 34 N -1.80 3.61 -0.09 9.08 1.43 -1.26 0.10 118.68 129.74 2otj s LEU 34 Ca -0.10 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2otj s LEU 34 Cb -0.05 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 2otj s LEU 34 CO -0.02 -0.09 -0.23 0.68 0.23 0.00 0.00 176.35 176.92 2otj s VAL 35 N 1.59 2.18 0.69 -1.59 -7.23 0.91 -4.96 120.40 111.99 2otj s VAL 35 Ca 0.05 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 2otj s VAL 35 Cb -0.16 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2otj s VAL 35 CO 0.04 0.56 1.18 -2.84 -0.31 0.00 0.00 175.10 173.72 2otj s PRO 36 N 0.19 2.42 -1.08 4.82 0.02 -1.26 -0.19 135.00 139.92 2otj s PRO 36 Ca -0.14 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 62.42 2otj s PRO 36 Cb -0.17 -1.88 0.22 0.00 0.02 0.00 0.00 34.50 32.69 2otj s PRO 36 CO 0.07 -1.60 1.17 -1.21 -0.33 0.00 0.00 177.00 175.11 2otj s GLU 37 N -3.89 4.01 0.35 5.54 2.02 -1.26 -4.75 118.70 120.72 2otj s GLU 37 Ca 0.73 -2.72 0.08 0.00 0.02 0.00 0.00 54.97 53.08 2otj s GLU 37 Cb -0.27 -4.75 -0.05 0.00 0.10 0.00 0.00 34.13 29.16 2otj s GLU 37 CO 0.43 -1.49 0.08 0.99 0.02 0.00 0.00 175.26 175.28 2otj s THR 38 N 0.37 2.70 0.15 3.63 2.01 -1.26 -4.95 115.64 118.29 2otj s THR 38 Ca 0.33 -1.85 -0.17 0.00 0.31 0.00 0.00 61.69 60.32 2otj s THR 38 Cb -0.07 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.56 2otj s THR 38 CO -0.06 -0.16 1.75 0.44 -0.69 0.00 0.00 174.62 175.90 2otj h ASP 39 N 1.67 0.13 0.36 3.53 3.32 -1.99 0.73 116.42 124.17 2otj h ASP 39 Ca -0.43 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 2otj h ASP 39 Cb 1.25 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2otj h ASP 39 CO 0.66 0.11 -0.17 0.00 -1.72 0.00 0.00 179.24 178.12 2otj h ALA 40 N 1.20 -0.49 0.00 3.45 0.00 -1.97 -2.40 119.26 119.05 2otj h ALA 40 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2otj h ALA 40 Cb 0.11 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2otj h ALA 40 CO -0.15 -0.74 -0.03 1.88 0.00 0.00 0.00 179.25 180.22 2otj h TYR 41 N -0.55 0.00 -0.24 0.00 -1.99 -1.81 -2.38 116.97 110.00 2otj h TYR 41 Ca -0.05 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.55 2otj h TYR 41 Cb 0.41 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.14 2otj h TYR 41 CO -0.04 0.03 -0.38 0.00 -0.00 0.00 0.00 178.16 177.78 2otj h ARG 42 N 0.00 0.68 -0.85 4.88 3.08 -0.36 -2.33 114.38 119.48 2otj h ARG 42 Ca -0.00 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 2otj h ARG 42 Cb 0.10 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2otj h ARG 42 CO 0.00 1.03 0.45 0.78 -1.07 0.00 0.00 179.97 181.16 2otj h GLY 43 N 0.40 1.29 0.85 0.04 0.00 -1.10 -1.84 103.07 102.70 2otj h GLY 43 Ca 0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2otj h GLY 43 CO 0.09 0.58 0.04 -0.33 0.00 0.00 0.00 176.54 176.91 2otj h MET 44 N 1.20 0.16 0.00 4.80 2.86 -1.45 -2.49 114.93 120.01 2otj h MET 44 Ca 0.30 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 2otj h MET 44 Cb 0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2otj h MET 44 CO -0.04 0.29 -0.12 -0.39 1.06 0.00 0.00 176.91 177.71 2otj h VAL 45 N 0.00 0.36 0.00 -2.22 -1.51 -1.26 -2.74 116.25 108.88 2otj h VAL 45 Ca 0.03 -0.72 -0.16 0.00 -1.23 0.00 0.00 66.70 64.63 2otj h VAL 45 Cb 0.19 1.53 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 2otj h VAL 45 CO -0.00 0.12 -0.77 0.00 -1.23 0.00 0.00 177.57 175.68 2otj h ALA 46 N 1.88 0.56 -0.11 5.19 0.00 -1.13 -2.07 119.26 123.58 2otj h ALA 46 Ca -0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 54.91 53.98 2otj h ALA 46 Cb 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2otj h ALA 46 CO 0.02 0.97 -0.81 -0.22 0.00 0.00 0.00 179.25 179.20 2otj h LYS 47 N 0.00 0.70 0.00 0.00 3.64 -1.16 -3.10 116.57 116.65 2otj h LYS 47 Ca -0.01 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2otj h LYS 47 Cb 1.52 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 2otj h LYS 47 CO 0.10 1.21 -0.07 0.28 -2.27 0.00 0.00 179.45 178.70 2otj n VAL 48 N -3.90 0.18 -0.11 2.00 0.31 -1.11 -4.50 118.33 111.20 2otj n VAL 48 Ca -0.07 -0.09 0.11 0.00 -0.01 0.00 0.00 64.34 64.28 2otj n VAL 48 Cb 0.76 -0.45 0.20 0.00 -0.91 0.00 0.00 33.84 33.45 2otj n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2otj n ASN 49 N -1.74 0.11 -0.01 4.52 2.85 -0.78 -0.46 115.26 119.76 2otj n ASN 49 Ca 0.06 0.55 0.12 0.00 -0.11 0.00 0.00 54.58 55.21 2otj n ASN 49 Cb 0.37 -0.27 0.30 0.00 1.24 0.00 0.00 39.78 41.42 2otj n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2otj n ASP 50 N -3.73 0.46 -0.09 1.20 8.00 -1.26 -3.04 116.55 118.09 2otj n ASP 50 Ca 0.13 -0.18 0.09 0.00 0.71 0.00 0.00 54.79 55.54 2otj n ASP 50 Cb 0.44 0.16 0.13 0.00 -0.02 0.00 0.00 41.12 41.83 2otj n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2otj n PHE 51 N -1.47 0.03 -4.21 1.24 3.01 0.39 -4.90 117.46 111.54 2otj n PHE 51 Ca 0.06 -0.95 -0.14 0.00 1.01 0.00 0.00 57.45 57.43 2otj n PHE 51 Cb 0.34 -0.15 -0.09 0.00 -0.01 0.00 0.00 39.48 39.57 2otj n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2otj s VAL 52 N -2.72 0.00 -0.06 -4.37 0.11 -1.20 -2.02 120.40 110.15 2otj s VAL 52 Ca 0.30 -1.96 -0.01 0.00 -2.93 0.00 0.00 61.98 57.37 2otj s VAL 52 Cb 0.26 -2.49 0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2otj s VAL 52 CO 0.03 0.00 0.02 0.00 -3.33 0.00 0.00 175.10 171.82 2otj s ALA 53 N -3.93 0.51 0.11 1.54 0.00 -0.18 -0.88 121.76 118.92 2otj s ALA 53 Ca 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2otj s ALA 53 Cb 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2otj s ALA 53 CO 0.16 -0.42 0.09 -0.59 0.00 0.00 0.00 175.76 175.00 2otj s PHE 54 N 1.92 0.59 0.00 0.00 -0.12 -0.91 -0.63 117.98 118.83 2otj s PHE 54 Ca 0.03 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 55.90 2otj s PHE 54 Cb -0.12 -0.32 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 2otj s PHE 54 CO -0.04 -0.52 0.00 0.41 -0.05 0.00 0.00 175.22 175.02 2otj n GLY 55 N -0.06 1.53 3.63 1.99 0.00 -1.17 0.32 105.19 111.43 2otj n GLY 55 Ca -0.09 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2otj n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2otj s GLU 56 N -2.00 4.11 0.69 1.61 2.12 -1.26 -0.16 118.70 123.81 2otj s GLU 56 Ca 0.00 0.85 -0.11 0.00 0.36 0.00 0.00 54.97 56.07 2otj s GLU 56 Cb 0.00 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.72 2otj s GLU 56 CO 0.00 -0.59 1.09 -1.25 -0.54 0.00 0.00 175.26 173.96 2otj s PRO 57 N 2.93 2.96 0.26 4.30 0.04 -1.26 -4.27 135.00 139.96 2otj s PRO 57 Ca 0.35 0.49 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 2otj s PRO 57 Cb -0.15 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 2otj s PRO 57 CO 0.09 -0.97 0.69 -1.54 0.04 0.00 0.00 177.00 175.32 2otj s SER 58 N -4.34 6.87 0.30 6.66 1.04 -1.26 -4.89 113.70 118.07 2otj s SER 58 Ca 0.58 1.27 0.03 0.00 0.48 0.00 0.00 55.95 58.30 2otj s SER 58 Cb -0.11 -2.36 0.75 0.00 0.10 0.00 0.00 66.02 64.39 2otj s SER 58 CO 0.52 -0.07 1.62 -0.61 0.98 0.00 0.00 173.24 175.67 2otj h GLN 59 N 2.85 0.12 0.67 4.02 5.75 -1.97 0.25 115.11 126.80 2otj h GLN 59 Ca -0.48 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 57.98 2otj h GLN 59 Cb 1.18 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.71 2otj h GLN 59 CO 0.66 0.08 -0.32 0.93 -2.65 0.00 0.00 178.83 177.52 2otj h GLU 60 N 0.12 -0.87 -0.47 1.69 5.08 -1.99 -2.21 114.58 115.92 2otj h GLU 60 Ca 0.58 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 59.07 2otj h GLU 60 Cb 1.20 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.59 2otj h GLU 60 CO -0.75 -0.57 0.10 1.15 -1.00 0.00 0.00 179.01 177.94 2otj h THR 61 N -0.93 0.75 -0.96 1.13 2.02 -1.52 -0.23 112.91 113.18 2otj h THR 61 Ca -0.09 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.09 2otj h THR 61 Cb 0.70 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 2otj h THR 61 CO 0.15 0.04 0.62 0.25 0.37 0.00 0.00 175.52 176.95 2otj h LEU 62 N 0.24 0.93 -0.70 2.58 5.85 -0.97 -0.76 115.31 122.48 2otj h LEU 62 Ca 0.23 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 2otj h LEU 62 Cb 0.30 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2otj h LEU 62 CO -0.30 0.57 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.96 2otj h GLU 63 N 1.04 0.93 -0.17 1.25 5.08 -0.45 0.84 114.58 123.09 2otj h GLU 63 Ca 0.43 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2otj h GLU 63 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2otj h GLU 63 CO -0.18 0.97 0.02 1.15 -1.00 0.00 0.00 179.01 179.96 2otj h THR 64 N 0.83 1.23 -0.17 1.13 2.02 0.14 -1.96 112.91 116.14 2otj h THR 64 Ca 0.14 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2otj h THR 64 Cb 0.61 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2otj h THR 64 CO 0.04 0.23 0.03 0.58 0.37 0.00 0.00 175.52 176.77 2otj h VAL 65 N 0.06 1.21 -0.84 3.16 2.07 -1.09 -1.73 116.25 119.10 2otj h VAL 65 Ca 0.05 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 66.95 2otj h VAL 65 Cb 0.33 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2otj h VAL 65 CO 0.00 0.21 0.51 -0.07 0.02 0.00 0.00 177.57 178.24 2otj h LEU 66 N 0.07 0.79 0.90 2.57 3.38 -0.83 0.65 115.31 122.84 2otj h LEU 66 Ca 0.05 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2otj h LEU 66 Cb 0.29 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2otj h LEU 66 CO 0.00 0.49 -0.43 0.00 0.09 0.00 0.00 178.44 178.59 2otj h ALA 67 N 1.41 -1.27 0.00 1.53 0.00 -1.16 -1.00 119.26 118.77 2otj h ALA 67 Ca 0.38 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2otj h ALA 67 Cb 0.22 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2otj h ALA 67 CO -0.19 -1.18 -0.42 0.00 0.00 0.00 0.00 179.25 177.46 2otj h THR 68 N -1.27 1.23 0.00 0.00 1.03 -1.09 -3.38 112.91 109.44 2otj h THR 68 Ca -0.12 -1.46 0.00 0.00 -0.01 0.00 0.00 66.41 64.82 2otj h THR 68 Cb 0.93 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 2otj h THR 68 CO 0.20 0.41 0.00 0.54 -0.01 0.00 0.00 175.52 176.66 2otj n ARG 69 N -3.94 2.59 -2.50 0.00 5.12 0.23 -5.06 116.66 113.10 2otj n ARG 69 Ca -0.02 -0.19 -0.36 0.00 -1.93 0.00 0.00 57.85 55.36 2otj n ARG 69 Cb 0.46 -0.64 -0.03 0.00 -1.16 0.00 0.00 32.46 31.08 2otj n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2otj s ALA 70 N -0.42 2.98 0.06 7.54 0.00 -0.38 -4.20 121.76 127.34 2otj s ALA 70 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.67 2otj s ALA 70 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2otj s ALA 70 CO 0.00 -0.32 -0.06 -1.21 0.00 0.00 0.00 175.76 174.17 2otj s GLU 71 N -2.81 0.63 1.17 0.00 2.02 -1.26 -4.09 118.70 114.35 2otj s GLU 71 Ca 0.62 -1.03 -0.17 0.00 0.02 0.00 0.00 54.97 54.41 2otj s GLU 71 Cb -0.21 -0.12 0.27 0.00 0.10 0.00 0.00 34.13 34.17 2otj s GLU 71 CO 0.26 -0.01 1.08 -2.14 0.02 0.00 0.00 175.26 174.46 2otj s PRO 72 N -2.79 -0.93 0.46 0.39 0.02 -1.26 -0.36 135.00 130.53 2otj s PRO 72 Ca 0.00 0.18 0.18 0.00 0.02 0.00 0.00 61.00 61.39 2otj s PRO 72 Cb -0.01 -1.61 1.10 0.00 0.02 0.00 0.00 34.50 34.00 2otj s PRO 72 CO -0.03 -3.57 1.99 1.25 -0.33 0.00 0.00 177.00 176.31 2otj h LEU 73 N -2.49 0.00 -7.39 -5.54 5.85 -1.54 -3.22 115.31 100.97 2otj h LEU 73 Ca -0.49 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.06 2otj h LEU 73 Cb 1.31 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 42.07 2otj h LEU 73 CO 0.42 0.19 -0.42 -1.61 -0.34 0.00 0.00 178.44 176.68 2otj s GLU 74 N -4.45 0.29 0.00 1.25 2.02 -1.26 -4.84 118.70 111.71 2otj s GLU 74 Ca -0.03 0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.43 2otj s GLU 74 Cb 0.15 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2otj s GLU 74 CO 0.67 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.26 2otj n GLY 75 N 3.53 2.18 0.16 -1.39 0.00 -1.26 -4.82 105.19 103.59 2otj n GLY 75 Ca -0.18 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 43.91 2otj n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2otj h ASP 76 N 0.00 0.00 -0.27 1.61 3.32 -2.01 -3.39 116.42 115.68 2otj h ASP 76 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2otj h ASP 76 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2otj h ASP 76 CO 0.00 0.43 0.05 0.00 -1.72 0.00 0.00 179.24 178.00 2otj n ALA 77 N -2.24 -1.12 -2.49 3.45 0.00 -1.26 -4.88 120.51 111.97 2otj n ALA 77 Ca 0.01 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2otj n ALA 77 Cb 0.64 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2otj n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2otj s ASP 78 N 0.18 7.11 -1.16 0.00 -0.00 -1.26 -4.42 116.67 117.13 2otj s ASP 78 Ca 0.25 1.85 -0.15 0.00 -0.00 0.00 0.00 52.55 54.50 2otj s ASP 78 Cb -0.35 -2.57 0.16 0.00 -0.00 0.00 0.00 42.92 40.16 2otj s ASP 78 CO 0.17 -0.49 1.39 -0.69 -0.00 0.00 0.00 175.17 175.54 2otj s VAL 79 N 1.63 4.94 0.49 -1.27 1.01 -1.26 -4.75 120.40 121.18 2otj s VAL 79 Ca 0.56 -2.40 0.09 0.00 0.00 0.00 0.00 61.98 60.22 2otj s VAL 79 Cb -0.26 -4.90 0.04 0.00 0.00 0.00 0.00 36.38 31.27 2otj s VAL 79 CO 0.25 -1.62 0.63 1.51 0.00 0.00 0.00 175.10 175.88 2otj s ASP 80 N 3.05 5.34 0.21 3.32 1.47 -1.26 -4.46 116.67 124.33 2otj s ASP 80 Ca 0.41 -0.66 -0.13 0.00 1.18 0.00 0.00 52.55 53.36 2otj s ASP 80 Cb -0.03 -0.22 0.26 0.00 -0.34 0.00 0.00 42.92 42.58 2otj s ASP 80 CO -0.02 -1.00 1.64 0.44 0.68 0.00 0.00 175.17 176.92 2otj h ASP 81 N 0.50 -0.45 -0.53 2.11 3.32 -1.93 0.75 116.42 120.19 2otj h ASP 81 Ca -0.36 0.17 0.06 0.00 0.02 0.00 0.00 57.03 56.93 2otj h ASP 81 Cb 1.28 0.34 -0.06 0.00 0.22 0.00 0.00 39.33 41.12 2otj h ASP 81 CO 0.45 -0.17 0.23 -0.08 -1.72 0.00 0.00 179.24 177.95 2otj h GLU 82 N 0.04 0.42 0.39 3.56 4.81 -1.96 0.23 114.58 122.08 2otj h GLU 82 Ca 0.31 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2otj h GLU 82 Cb 0.49 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2otj h GLU 82 CO -0.59 0.28 -0.24 2.35 -0.73 0.00 0.00 179.01 180.08 2otj h TRP 83 N 0.43 -0.62 -0.80 0.92 7.01 -1.39 -0.06 115.95 121.44 2otj h TRP 83 Ca 0.25 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.41 2otj h TRP 83 Cb 0.23 0.22 -0.11 0.00 -2.10 0.00 0.00 29.16 27.40 2otj h TRP 83 CO -0.14 -0.37 0.31 0.28 -2.79 0.00 0.00 178.44 175.74 2otj h VAL 84 N -0.60 0.57 -0.14 2.65 2.07 -0.14 -1.39 116.25 119.28 2otj h VAL 84 Ca -0.04 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2otj h VAL 84 Cb 0.49 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2otj h VAL 84 CO 0.05 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.69 2otj h ALA 85 N 1.61 0.19 0.00 1.67 0.00 -0.08 1.00 119.26 123.65 2otj h ALA 85 Ca 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2otj h ALA 85 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2otj h ALA 85 CO -0.46 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.10 2otj n GLU 86 N -4.73 0.28 0.00 0.00 1.02 -0.08 -4.06 120.64 113.07 2otj n GLU 86 Ca -0.06 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2otj n GLU 86 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2otj n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2otj n HIS 87 N -1.34 0.00 -3.84 -0.32 8.25 -0.59 -5.08 115.22 112.31 2otj n HIS 87 Ca 0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.32 2otj n HIS 87 Cb 0.23 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 2otj n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2otj s THR 88 N -1.23 1.80 -2.22 1.59 2.01 0.34 -4.88 115.64 113.06 2otj s THR 88 Ca 0.00 -1.47 0.30 0.00 0.31 0.00 0.00 61.69 60.83 2otj s THR 88 Cb 0.00 -2.27 0.75 0.00 0.01 0.00 0.00 72.50 70.98 2otj s THR 88 CO 0.00 0.00 2.01 0.47 -0.69 0.00 0.00 174.62 176.41 2otj n ASP 89 N -1.73 0.66 -4.81 3.53 8.00 -1.26 -4.79 116.55 116.14 2otj n ASP 89 Ca -0.00 -1.23 -0.22 0.00 0.71 0.00 0.00 54.79 54.05 2otj n ASP 89 Cb 0.64 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.69 2otj n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2otj s TYR 90 N -2.00 2.77 -0.16 1.24 1.51 -1.26 -5.04 117.35 114.42 2otj s TYR 90 Ca 0.43 -0.39 0.21 0.00 -1.01 0.00 0.00 57.07 56.31 2otj s TYR 90 Cb 0.21 -1.85 -0.13 0.00 -0.11 0.00 0.00 41.96 40.09 2otj s TYR 90 CO 0.35 0.16 0.81 -0.25 -1.11 0.00 0.00 175.55 175.51 2otj n ASP 91 N -1.33 0.57 -3.68 2.29 8.00 -1.26 -3.97 116.55 117.16 2otj n ASP 91 Ca -0.01 0.22 -0.08 0.00 0.71 0.00 0.00 54.79 55.64 2otj n ASP 91 Cb 0.61 0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 42.59 2otj n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2otj s ASP 92 N -5.17 -0.15 0.20 -2.24 -4.77 -1.26 -4.29 116.67 98.98 2otj s ASP 92 Ca -0.03 -0.78 -0.11 0.00 -3.30 0.00 0.00 52.55 48.32 2otj s ASP 92 Cb 0.11 0.73 0.25 0.00 -1.09 0.00 0.00 42.92 42.92 2otj s ASP 92 CO 0.83 -1.39 1.71 0.40 0.70 0.00 0.00 175.17 177.43 2otj h ILE 93 N 2.04 0.68 -0.89 2.11 2.04 -1.89 -1.29 117.51 120.32 2otj h ILE 93 Ca -0.23 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.67 2otj h ILE 93 Cb 1.25 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.64 2otj h ILE 93 CO 0.29 0.05 0.50 0.28 0.00 0.00 0.00 178.15 179.26 2otj h SER 94 N 0.26 0.67 -0.54 1.72 0.02 -1.96 0.81 113.55 114.54 2otj h SER 94 Ca 0.29 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.27 2otj h SER 94 Cb 0.40 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2otj h SER 94 CO -0.36 0.32 0.19 1.23 -1.14 0.00 0.00 176.83 177.07 2otj h GLY 95 N 0.76 0.88 0.70 -3.77 0.00 -1.66 0.18 103.07 100.16 2otj h GLY 95 Ca 0.46 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2otj h GLY 95 CO -0.31 0.47 -0.14 -2.00 0.00 0.00 0.00 176.54 174.56 2otj h LEU 96 N 0.74 -0.34 -0.80 3.11 5.85 -0.32 -2.12 115.31 121.42 2otj h LEU 96 Ca 0.18 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.90 2otj h LEU 96 Cb 0.25 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.26 2otj h LEU 96 CO -0.01 0.00 0.31 0.00 -0.34 0.00 0.00 178.44 178.40 2otj h ALA 97 N -0.13 1.16 -0.68 1.25 0.00 0.64 0.13 119.26 121.62 2otj h ALA 97 Ca -0.04 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2otj h ALA 97 Cb 0.48 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2otj h ALA 97 CO 0.07 -0.27 0.21 0.35 0.00 0.00 0.00 179.25 179.61 2otj h PHE 98 N 0.40 1.10 -0.62 0.00 3.57 -0.89 -2.59 116.94 117.92 2otj h PHE 98 Ca 0.46 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2otj h PHE 98 Cb 0.77 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2otj h PHE 98 CO -0.18 0.88 0.27 0.00 -2.23 0.00 0.00 178.31 177.06 2otj h ALA 99 N 1.09 0.80 0.18 2.41 0.00 -0.12 -1.80 119.26 121.82 2otj h ALA 99 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2otj h ALA 99 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2otj h ALA 99 CO -0.01 0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 179.49 2otj h LEU 100 N 0.86 -0.20 -1.23 0.00 3.38 -0.98 -0.24 115.31 116.91 2otj h LEU 100 Ca 0.21 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2otj h LEU 100 Cb 0.17 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2otj h LEU 100 CO -0.02 -0.07 0.56 -0.07 0.09 0.00 0.00 178.44 178.93 2otj h LEU 101 N -0.31 0.79 -0.46 1.67 3.38 -1.37 0.33 115.31 119.34 2otj h LEU 101 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2otj h LEU 101 Cb 0.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2otj h LEU 101 CO 0.04 0.48 0.00 -1.54 0.09 0.00 0.00 178.44 177.51 2otj n SER 102 N -4.51 0.69 -3.81 -0.43 3.41 -0.69 -4.32 113.62 103.96 2otj n SER 102 Ca 0.14 -1.53 -0.25 0.00 -0.26 0.00 0.00 58.87 56.97 2otj n SER 102 Cb 0.27 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.21 2otj n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2otj n GLU 103 N -0.33 -5.13 -0.03 4.33 1.02 0.12 -4.90 120.64 115.71 2otj n GLU 103 Ca 0.15 0.60 -0.05 0.00 -0.02 0.00 0.00 57.16 57.84 2otj n GLU 103 Cb 0.18 -5.29 -0.13 0.00 -0.02 0.00 0.00 31.44 26.18 2otj n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2otj n GLU 104 N -4.47 0.65 -4.05 3.49 4.07 -0.18 -5.01 120.64 115.15 2otj n GLU 104 Ca -0.15 0.14 -0.14 0.00 -0.06 0.00 0.00 57.16 56.95 2otj n GLU 104 Cb 0.61 -1.69 -0.03 0.00 -0.06 0.00 0.00 31.44 30.27 2otj n GLU 104 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2otj s THR 105 N -2.73 0.00 0.11 6.31 -1.32 -1.25 -5.05 115.64 111.71 2otj s THR 105 Ca -0.06 -1.51 0.04 0.00 -1.21 0.00 0.00 61.69 58.95 2otj s THR 105 Cb 0.08 -2.69 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 2otj s THR 105 CO 0.83 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 173.55 2otj s THR 106 N -2.90 1.07 0.27 5.08 -4.23 -1.26 -4.54 115.64 109.12 2otj s THR 106 Ca 0.28 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 2otj s THR 106 Cb -0.01 -1.49 0.26 0.00 1.34 0.00 0.00 72.50 72.60 2otj s THR 106 CO 0.19 -0.56 1.83 -0.07 -0.54 0.00 0.00 174.62 175.47 2otj h LEU 107 N 3.41 0.85 -0.53 4.79 3.38 -1.91 -1.17 115.31 124.13 2otj h LEU 107 Ca -0.38 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 2otj h LEU 107 Cb 1.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2otj h LEU 107 CO 0.54 0.46 -0.19 -0.09 0.09 0.00 0.00 178.44 179.25 2otj h ARG 108 N 0.93 1.00 0.00 1.13 2.43 -1.79 0.42 114.38 118.49 2otj h ARG 108 Ca 0.47 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2otj h ARG 108 Cb 0.45 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2otj h ARG 108 CO -0.26 1.09 -0.01 0.93 -1.51 0.00 0.00 179.97 180.21 2otj h GLU 109 N 0.87 0.00 -0.41 0.20 5.08 -1.52 -1.38 114.58 117.41 2otj h GLU 109 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2otj h GLU 109 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2otj h GLU 109 CO 0.06 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.12 2otj n GLN 110 N -3.64 3.78 -1.35 2.33 1.13 -0.93 -4.94 117.38 113.76 2otj n GLN 110 Ca -0.03 -2.97 -0.07 0.00 -1.94 0.00 0.00 57.00 52.00 2otj n GLN 110 Cb 0.09 -2.01 -0.02 0.00 0.11 0.00 0.00 30.24 28.41 2otj n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2otj n GLY 111 N 0.04 0.77 3.60 1.08 0.00 -0.52 -4.68 105.19 105.47 2otj n GLY 111 Ca 0.24 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2otj n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otj s LEU 112 N -1.60 3.15 0.34 0.99 1.43 0.14 -1.53 118.68 121.60 2otj s LEU 112 Ca 0.00 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 2otj s LEU 112 Cb 0.00 -1.86 -0.11 0.00 0.03 0.00 0.00 46.19 44.25 2otj s LEU 112 CO 0.00 0.24 1.55 -0.24 0.23 0.00 0.00 176.35 178.13 2otj n SER 113 N 1.22 3.86 0.00 2.29 2.88 0.51 -2.68 113.62 121.71 2otj n SER 113 Ca -0.14 1.19 0.05 0.00 -1.33 0.00 0.00 58.87 58.64 2otj n SER 113 Cb 0.52 -1.61 0.26 0.00 -0.75 0.00 0.00 64.21 62.63 2otj n SER 113 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2otj n PRO 114 N 1.30 0.07 -4.94 -1.46 -0.02 -1.26 -4.71 135.00 123.98 2otj n PRO 114 Ca 0.05 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 2otj n PRO 114 Cb 0.38 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.21 2otj n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2otj s THR 115 N -2.81 2.75 -0.61 3.45 2.01 -1.26 -4.35 115.64 114.82 2otj s THR 115 Ca 0.08 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 2otj s THR 115 Cb 0.07 -2.11 0.15 0.00 0.01 0.00 0.00 72.50 70.63 2otj s THR 115 CO 0.19 0.55 0.57 -0.76 -0.69 0.00 0.00 174.62 174.47 2otj s LEU 116 N 0.08 6.28 -1.02 4.42 1.43 0.23 -4.71 118.68 125.38 2otj s LEU 116 Ca -0.07 -1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 50.83 2otj s LEU 116 Cb -0.15 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2otj s LEU 116 CO 0.05 -0.81 1.75 -0.13 0.23 0.00 0.00 176.35 177.44 2otj s ARG 117 N 1.34 3.06 1.03 1.70 0.52 -1.26 0.01 118.95 125.36 2otj s ARG 117 Ca 0.07 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 54.24 2otj s ARG 117 Cb -0.25 -5.24 0.21 0.00 0.52 0.00 0.00 34.95 30.18 2otj s ARG 117 CO 0.01 -2.93 1.15 -0.51 0.02 0.00 0.00 175.30 173.03 2otj s LEU 118 N 7.79 1.60 0.17 2.53 1.43 -1.08 -4.96 118.68 126.15 2otj s LEU 118 Ca 0.60 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.53 2otj s LEU 118 Cb -0.02 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2otj s LEU 118 CO -0.01 -3.21 0.20 -2.28 0.23 0.00 0.00 176.35 171.28 2otj s HIS 119 N -3.22 3.27 0.49 0.29 5.65 -1.07 -4.83 115.29 115.88 2otj s HIS 119 Ca 0.68 0.02 -0.23 0.00 0.25 0.00 0.00 55.06 55.78 2otj s HIS 119 Cb -0.12 -1.56 -0.08 0.00 -1.18 0.00 0.00 32.58 29.64 2otj s HIS 119 CO 0.55 0.52 1.18 -2.30 -0.65 0.00 0.00 174.74 174.04 2otj n PRO 120 N -0.51 1.54 -1.63 2.88 -0.02 -1.26 -4.44 135.00 131.57 2otj n PRO 120 Ca -0.08 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 2otj n PRO 120 Cb 0.55 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2otj n PRO 120 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2otj s PRO 121 N -2.47 3.56 0.11 0.52 0.04 -1.26 -4.54 135.00 130.96 2otj s PRO 121 Ca 0.67 2.29 -0.31 0.00 0.04 0.00 0.00 61.00 63.69 2otj s PRO 121 Cb -0.47 -4.29 -0.09 0.00 0.04 0.00 0.00 34.50 29.69 2otj s PRO 121 CO 0.53 -1.61 1.66 1.03 0.04 0.00 0.00 177.00 178.65 2otj s ARG 122 N 5.55 4.19 0.00 4.56 0.52 0.12 0.07 118.95 133.96 2otj s ARG 122 Ca 0.96 2.39 0.00 0.00 -0.52 0.00 0.00 55.73 58.55 2otj s ARG 122 Cb -0.37 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.63 2otj s ARG 122 CO 0.38 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.39 2otj n GLY 123 N 3.97 1.06 0.55 -3.53 0.00 -1.26 -4.89 105.19 101.09 2otj n GLY 123 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 2otj n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 124 N -2.00 -2.95 3.99 -0.02 0.00 0.11 -5.02 105.19 99.30 2otj n GLY 124 Ca 0.00 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 2otj n GLY 124 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2otj s HIS 125 N -3.60 1.32 -2.00 1.61 -3.43 -1.26 -4.96 115.29 102.97 2otj s HIS 125 Ca 0.00 -0.30 0.16 0.00 -0.80 0.00 0.00 55.06 54.12 2otj s HIS 125 Cb 0.00 -3.12 0.95 0.00 -1.43 0.00 0.00 32.58 28.97 2otj s HIS 125 CO 0.00 -1.94 1.48 -0.25 -2.00 0.00 0.00 174.74 172.03 2otj n ASP 126 N -3.00 0.00 0.00 7.38 8.00 -1.26 -4.97 116.55 122.70 2otj n ASP 126 Ca 0.16 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2otj n ASP 126 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2otj n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otj n GLY 127 N 0.51 2.45 1.80 0.44 0.00 -1.26 -4.20 105.19 104.94 2otj n GLY 127 Ca 0.12 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.55 2otj n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2otj n VAL 128 N 1.45 2.76 0.43 1.61 0.24 -1.26 -1.29 118.33 122.28 2otj n VAL 128 Ca 0.00 -1.53 0.05 0.00 -2.04 0.00 0.00 64.34 60.82 2otj n VAL 128 Cb 0.00 -0.29 0.01 0.00 -1.47 0.00 0.00 33.84 32.08 2otj n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2otj n LYS 129 N 0.32 1.81 -3.96 7.34 5.02 -1.26 -4.99 118.16 122.44 2otj n LYS 129 Ca 0.30 -0.68 -0.09 0.00 -2.02 0.00 0.00 58.31 55.81 2otj n LYS 129 Cb 1.21 -1.10 -0.10 0.00 -0.02 0.00 0.00 35.03 35.02 2otj n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2otj s HIS 130 N -1.26 0.25 0.94 2.13 3.76 -1.26 -5.07 115.29 114.78 2otj s HIS 130 Ca 0.09 -0.56 -0.14 0.00 -0.15 0.00 0.00 55.06 54.30 2otj s HIS 130 Cb 0.08 -0.19 0.20 0.00 1.11 0.00 0.00 32.58 33.79 2otj s HIS 130 CO 0.23 -0.30 1.29 -1.25 -0.85 0.00 0.00 174.74 173.86 2otj s PRO 131 N -2.27 0.67 0.11 8.40 0.04 -1.26 -2.44 135.00 138.25 2otj s PRO 131 Ca -0.08 -0.56 -0.21 0.00 0.04 0.00 0.00 61.00 60.19 2otj s PRO 131 Cb -0.04 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2otj s PRO 131 CO -0.03 -2.35 1.76 0.28 0.04 0.00 0.00 177.00 176.70 2otj h VAL 132 N -1.54 1.03 -0.01 -0.36 2.07 -1.51 0.59 116.25 116.52 2otj h VAL 132 Ca -0.43 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2otj h VAL 132 Cb 1.23 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2otj h VAL 132 CO 0.36 0.03 0.12 0.11 0.02 0.00 0.00 177.57 178.21 2otj h LYS 133 N 0.18 0.00 -0.34 1.57 1.57 -1.88 -0.55 116.57 117.12 2otj h LYS 133 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2otj h LYS 133 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2otj h LYS 133 CO -0.02 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 2otj n GLU 134 N -3.07 2.28 -0.01 3.15 1.02 -0.99 -4.95 120.64 118.07 2otj n GLU 134 Ca -0.02 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 2otj n GLU 134 Cb 0.19 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2otj n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2otj n GLY 135 N 1.15 0.52 0.00 0.62 0.00 -0.21 -4.89 105.19 102.38 2otj n GLY 135 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2otj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 136 N -2.00 0.30 0.06 -0.02 0.00 0.20 -4.73 105.19 99.00 2otj n GLY 136 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.22 2otj n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2otj n GLN 137 N -0.33 1.86 -3.77 1.61 -0.06 -0.41 -3.99 117.38 112.30 2otj n GLN 137 Ca 0.00 -1.60 -0.34 0.00 -2.00 0.00 0.00 57.00 53.05 2otj n GLN 137 Cb 0.00 -1.02 -0.05 0.00 -4.06 0.00 0.00 30.24 25.11 2otj n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2otj s LEU 138 N -1.28 4.37 0.00 1.69 1.43 -1.09 -4.52 118.68 119.27 2otj s LEU 138 Ca 0.09 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 2otj s LEU 138 Cb 0.08 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2otj s LEU 138 CO 0.01 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2otj n GLY 139 N 1.06 -1.80 3.76 -3.19 0.00 -0.06 -1.90 105.19 103.06 2otj n GLY 139 Ca -0.11 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 2otj n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2otj s LYS 140 N 0.00 4.17 0.20 1.61 2.20 -1.26 -2.15 119.74 124.52 2otj s LYS 140 Ca 0.00 2.48 0.10 0.00 -0.36 0.00 0.00 55.97 58.19 2otj s LYS 140 Cb 0.00 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 2otj s LYS 140 CO 0.00 -0.51 -0.19 -1.01 -0.36 0.00 0.00 175.35 173.28 2otj s HIS 141 N -0.49 1.97 0.67 4.03 3.76 0.15 -4.75 115.29 120.63 2otj s HIS 141 Ca 0.57 -0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 54.91 2otj s HIS 141 Cb -0.45 -0.94 0.00 0.00 1.11 0.00 0.00 32.58 32.30 2otj s HIS 141 CO 0.52 0.44 1.08 0.34 -0.85 0.00 0.00 174.74 176.28 2otj s ASP 142 N -2.98 5.27 0.30 1.40 -1.08 -1.26 -4.46 116.67 113.86 2otj s ASP 142 Ca 0.21 1.82 -0.01 0.00 -0.52 0.00 0.00 52.55 54.04 2otj s ASP 142 Cb -0.05 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.34 2otj s ASP 142 CO 0.09 -1.52 1.91 0.74 0.52 0.00 0.00 175.17 176.91 2otj h THR 143 N -0.25 1.21 -0.18 1.71 2.02 -1.98 0.62 112.91 116.06 2otj h THR 143 Ca -0.45 -0.55 -0.16 0.00 0.77 0.00 0.00 66.41 66.02 2otj h THR 143 Cb 1.23 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2otj h THR 143 CO 0.55 0.24 -0.55 -0.08 0.37 0.00 0.00 175.52 176.06 2otj h GLU 144 N 0.94 0.53 -0.34 6.66 4.81 -1.91 -2.21 114.58 123.05 2otj h GLU 144 Ca 0.24 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 2otj h GLU 144 Cb 0.06 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2otj h GLU 144 CO -0.04 0.94 -0.05 0.78 -0.73 0.00 0.00 179.01 179.91 2otj h GLY 145 N 1.09 0.69 1.43 1.92 0.00 -1.39 -2.50 103.07 104.32 2otj h GLY 145 Ca 0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 2otj h GLY 145 CO 0.10 0.50 -0.43 1.19 0.00 0.00 0.00 176.54 177.90 2otj h ILE 146 N 0.43 1.30 -0.55 2.60 -0.00 0.17 -2.99 117.51 118.47 2otj h ILE 146 Ca 0.09 -1.61 -0.00 0.00 -0.00 0.00 0.00 64.86 63.34 2otj h ILE 146 Cb 0.53 1.57 -0.03 0.00 -0.00 0.00 0.00 36.82 38.89 2otj h ILE 146 CO 0.03 0.51 0.34 0.44 -0.00 0.00 0.00 178.15 179.47 2otj h ASP 147 N 0.50 0.65 -0.79 2.19 3.32 -1.36 0.75 116.42 121.68 2otj h ASP 147 Ca 0.04 -0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.15 2otj h ASP 147 Cb 0.95 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.26 2otj h ASP 147 CO 0.09 0.51 0.42 0.44 -1.72 0.00 0.00 179.24 178.97 2otj h ASP 148 N 0.74 0.55 0.40 6.45 3.32 -1.31 0.54 116.42 127.11 2otj h ASP 148 Ca 0.20 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2otj h ASP 148 Cb -0.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2otj h ASP 148 CO -0.04 0.29 -0.19 0.25 -1.72 0.00 0.00 179.24 177.83 2otj h LEU 149 N 0.67 -0.45 -0.66 1.55 5.85 -1.26 -1.12 115.31 119.89 2otj h LEU 149 Ca 0.40 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 59.09 2otj h LEU 149 Cb 0.46 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 2otj h LEU 149 CO -0.29 -0.04 0.29 -0.07 -0.34 0.00 0.00 178.44 177.99 2otj h LEU 150 N -0.96 0.35 -1.10 2.25 3.38 -0.51 0.91 115.31 119.63 2otj h LEU 150 Ca -0.05 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2otj h LEU 150 Cb 0.55 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2otj h LEU 150 CO 0.09 0.20 -0.13 -0.33 0.09 0.00 0.00 178.44 178.36 2otj h GLU 151 N 0.51 0.48 0.00 1.13 5.08 0.04 -1.87 114.58 119.94 2otj h GLU 151 Ca 0.33 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2otj h GLU 151 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2otj h GLU 151 CO -0.29 0.61 -0.35 0.00 -1.00 0.00 0.00 179.01 177.98 2otj h ALA 152 N 1.42 1.01 -0.59 3.43 0.00 0.24 -2.79 119.26 121.98 2otj h ALA 152 Ca 0.08 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 2otj h ALA 152 Cb 0.50 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.06 2otj h ALA 152 CO 0.03 0.44 0.19 -1.33 0.00 0.00 0.00 179.25 178.58 2otj n MET 153 N -3.52 2.15 0.00 0.00 2.81 0.15 -0.70 117.12 118.01 2otj n MET 153 Ca -0.00 -3.11 0.03 0.00 -1.81 0.00 0.00 57.70 52.81 2otj n MET 153 Cb 0.50 -1.96 0.18 0.00 -0.71 0.00 0.00 33.22 31.22 2otj n MET 153 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37