#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqe h GLN 2 N 0.00 0.83 -0.50 -1.46 4.20 -1.83 -0.77 115.11 115.57 1dqe h GLN 2 Ca 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1dqe h GLN 2 Cb 0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1dqe h GLN 2 CO 0.00 0.89 0.33 0.93 -0.67 0.00 0.00 178.83 180.31 1dqe h GLU 3 N 0.75 0.65 -0.44 1.46 3.07 -1.98 0.12 114.58 118.22 1dqe h GLU 3 Ca 0.13 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.98 1dqe h GLU 3 Cb 0.58 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1dqe h GLU 3 CO 0.04 0.43 0.23 0.28 -1.40 0.00 0.00 179.01 178.59 1dqe h VAL 4 N 0.67 0.99 -0.73 3.13 2.07 -1.86 -2.03 116.25 118.49 1dqe h VAL 4 Ca 0.18 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1dqe h VAL 4 Cb -0.08 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1dqe h VAL 4 CO -0.04 0.08 0.39 0.24 0.02 0.00 0.00 177.57 178.27 1dqe h MET 5 N 0.46 1.01 -0.40 1.57 2.86 -0.64 0.21 114.93 120.00 1dqe h MET 5 Ca 0.19 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1dqe h MET 5 Cb 0.07 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.48 1dqe h MET 5 CO -0.12 0.74 0.08 -0.22 1.06 0.00 0.00 176.91 178.45 1dqe h LYS 6 N 1.01 0.20 -0.49 1.72 1.63 -0.75 0.10 116.57 120.00 1dqe h LYS 6 Ca 0.26 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.01 1dqe h LYS 6 Cb 0.03 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1dqe h LYS 6 CO -0.04 0.13 0.17 -0.91 -3.45 0.00 0.00 179.45 175.35 1dqe h ASN 7 N 0.21 0.70 -0.30 4.20 2.35 -0.53 -0.91 115.58 121.30 1dqe h ASN 7 Ca 0.19 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1dqe h ASN 7 Cb 0.23 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1dqe h ASN 7 CO -0.25 0.71 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.03 1dqe h LEU 8 N 0.66 0.72 -0.30 1.61 4.07 -0.45 -2.10 115.31 119.51 1dqe h LEU 8 Ca 0.16 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1dqe h LEU 8 Cb 0.24 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1dqe h LEU 8 CO -0.01 0.86 0.07 0.28 -1.08 0.00 0.00 178.44 178.57 1dqe h SER 9 N 0.66 0.47 0.03 -0.43 0.02 -0.43 0.13 113.55 114.00 1dqe h SER 9 Ca 0.11 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1dqe h SER 9 Cb 0.59 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1dqe h SER 9 CO 0.04 0.58 -0.14 0.25 -1.14 0.00 0.00 176.83 176.42 1dqe h LEU 10 N 0.33 -0.40 -0.58 5.07 5.85 -1.17 -0.78 115.31 123.63 1dqe h LEU 10 Ca 0.10 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1dqe h LEU 10 Cb 0.30 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1dqe h LEU 10 CO 0.00 -0.20 -0.45 0.78 -0.34 0.00 0.00 178.44 178.22 1dqe h ASN 11 N -0.26 0.00 -0.30 1.25 2.35 -1.26 -2.92 115.58 114.45 1dqe h ASN 11 Ca 0.04 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1dqe h ASN 11 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1dqe h ASN 11 CO -0.11 0.45 -0.30 0.15 -1.65 0.00 0.00 177.43 175.97 1dqe h PHE 12 N 0.00 0.94 -0.36 1.19 3.57 -0.67 -2.94 116.94 118.67 1dqe h PHE 12 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1dqe h PHE 12 Cb 1.11 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1dqe h PHE 12 CO 0.00 1.01 0.00 0.41 -2.23 0.00 0.00 178.31 177.50 1dqe n GLY 13 N -0.08 1.16 0.31 2.40 0.00 -1.06 -4.50 105.19 103.42 1dqe n GLY 13 Ca -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.61 1dqe n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dqe h LYS 14 N 2.21 0.63 -0.74 1.61 1.57 -1.33 -2.52 116.57 118.00 1dqe h LYS 14 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1dqe h LYS 14 Cb 0.70 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1dqe h LYS 14 CO 0.06 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.39 1dqe n ALA 15 N -2.47 3.10 -0.29 3.86 0.00 -1.26 -4.46 120.51 119.00 1dqe n ALA 15 Ca 0.04 -0.92 0.02 0.00 0.00 0.00 0.00 53.44 52.58 1dqe n ALA 15 Cb 0.09 -1.05 0.22 0.00 0.00 0.00 0.00 19.45 18.71 1dqe n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dqe h LEU 16 N 2.02 0.93 -0.18 0.00 5.85 -1.78 1.17 115.31 123.32 1dqe h LEU 16 Ca 0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1dqe h LEU 16 Cb 1.15 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1dqe h LEU 16 CO 0.22 0.63 -0.19 0.44 -0.34 0.00 0.00 178.44 179.20 1dqe h ASP 17 N 1.08 0.47 -0.28 1.25 5.19 -1.85 0.36 116.42 122.64 1dqe h ASP 17 Ca 0.35 -0.49 0.04 0.00 -0.62 0.00 0.00 57.03 56.32 1dqe h ASP 17 Cb 0.05 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.39 1dqe h ASP 17 CO -0.11 0.86 0.02 -0.08 -3.12 0.00 0.00 179.24 176.82 1dqe h GLU 18 N 0.09 0.11 0.38 3.56 4.81 -1.75 0.29 114.58 122.07 1dqe h GLU 18 Ca 0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1dqe h GLU 18 Cb 0.73 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1dqe h GLU 18 CO 0.05 0.08 -0.39 0.00 -0.73 0.00 0.00 179.01 178.01 1dqe h LYS 20 N -0.80 0.15 -0.42 0.00 3.64 0.02 -1.60 116.57 117.56 1dqe h LYS 20 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1dqe h LYS 20 Cb 0.72 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1dqe h LYS 20 CO -0.08 0.10 0.23 0.87 -2.27 0.00 0.00 179.45 178.31 1dqe h LYS 21 N 0.16 0.59 -0.43 1.90 1.57 -0.01 -3.16 116.57 117.18 1dqe h LYS 21 Ca 0.27 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1dqe h LYS 21 Cb 0.41 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1dqe h LYS 21 CO -0.42 0.47 0.20 0.93 -0.57 0.00 0.00 179.45 180.06 1dqe h GLU 22 N 0.55 0.62 0.00 3.15 5.08 -0.21 -3.44 114.58 120.34 1dqe h GLU 22 Ca 0.15 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1dqe h GLU 22 Cb 0.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1dqe h GLU 22 CO -0.02 0.55 0.00 -0.12 -1.00 0.00 0.00 179.01 178.41 1dqe n MET 23 N -4.66 2.95 0.21 2.33 1.56 -0.68 -5.03 117.12 113.80 1dqe n MET 23 Ca 0.01 0.00 0.15 0.00 -0.27 0.00 0.00 57.70 57.58 1dqe n MET 23 Cb 0.12 0.00 0.75 0.00 2.15 0.00 0.00 33.22 36.24 1dqe n MET 23 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1dqe h THR 24 N 0.00 0.00 -2.90 1.12 2.02 -1.85 -3.47 112.91 107.83 1dqe h THR 24 Ca 0.00 -0.06 -0.67 0.00 0.77 0.00 0.00 66.41 66.46 1dqe h THR 24 Cb 0.00 0.73 -0.10 0.00 -1.74 0.00 0.00 68.15 67.05 1dqe h THR 24 CO 0.00 0.00 -0.52 -0.76 0.37 0.00 0.00 175.52 174.61 1dqe s LEU 25 N -5.04 4.13 0.66 2.58 1.43 -1.26 -5.07 118.68 116.11 1dqe s LEU 25 Ca -0.02 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1dqe s LEU 25 Cb 0.09 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1dqe s LEU 25 CO 0.30 0.37 1.05 0.42 0.23 0.00 0.00 176.35 178.72 1dqe s THR 26 N -0.82 4.27 -1.16 5.49 -4.23 -1.26 -4.94 115.64 113.00 1dqe s THR 26 Ca 0.13 0.77 0.18 0.00 -1.18 0.00 0.00 61.69 61.59 1dqe s THR 26 Cb -0.12 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.36 1dqe s THR 26 CO 0.03 -0.94 1.58 0.47 -0.54 0.00 0.00 174.62 175.22 1dqe n ASP 27 N -2.89 0.00 -0.20 3.99 8.00 -1.26 -2.60 116.55 121.59 1dqe n ASP 27 Ca 0.07 0.32 0.30 0.00 0.71 0.00 0.00 54.79 56.19 1dqe n ASP 27 Cb 0.54 -0.42 0.67 0.00 -0.02 0.00 0.00 41.12 41.89 1dqe n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dqe h ALA 28 N 2.72 2.83 0.00 2.24 0.00 -2.03 0.07 119.26 125.09 1dqe h ALA 28 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1dqe h ALA 28 Cb 0.26 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dqe h ALA 28 CO 0.00 -1.38 -0.16 -0.84 0.00 0.00 0.00 179.25 176.87 1dqe h ILE 29 N 0.00 0.29 -0.92 0.00 3.07 -1.89 -3.18 117.51 114.88 1dqe h ILE 29 Ca 0.46 -1.28 0.10 0.00 1.55 0.00 0.00 64.86 65.70 1dqe h ILE 29 Cb 2.22 2.03 -0.07 0.00 -0.27 0.00 0.00 36.82 40.73 1dqe h ILE 29 CO -0.00 0.16 0.59 0.78 -1.05 0.00 0.00 178.15 178.62 1dqe h ASN 30 N 0.00 0.83 -0.71 2.16 2.35 -1.22 -0.96 115.58 118.03 1dqe h ASN 30 Ca -0.00 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1dqe h ASN 30 Cb 1.01 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 39.18 1dqe h ASN 30 CO 0.02 0.48 0.38 -0.08 -1.65 0.00 0.00 177.43 176.58 1dqe h GLU 31 N 0.91 0.65 -0.51 0.81 4.81 -1.73 0.22 114.58 119.73 1dqe h GLU 31 Ca 0.44 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 1dqe h GLU 31 Cb 0.43 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1dqe h GLU 31 CO -0.20 0.43 0.10 -0.44 -0.73 0.00 0.00 179.01 178.17 1dqe h ASP 32 N 0.67 0.80 -0.30 1.04 3.32 -1.38 -2.46 116.42 118.10 1dqe h ASP 32 Ca 0.33 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1dqe h ASP 32 Cb 0.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1dqe h ASP 32 CO -0.23 0.84 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.81 1dqe h PHE 33 N 0.72 0.64 -0.10 4.55 -1.00 -1.07 -1.85 116.94 118.83 1dqe h PHE 33 Ca 0.16 -0.14 -0.12 0.00 2.81 0.00 0.00 57.97 60.68 1dqe h PHE 33 Cb 0.37 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1dqe h PHE 33 CO 0.03 0.76 -0.47 1.88 -1.61 0.00 0.00 178.31 178.89 1dqe h TYR 34 N 0.35 0.31 -0.41 -0.55 0.05 -0.61 -0.71 116.97 115.39 1dqe h TYR 34 Ca 0.08 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1dqe h TYR 34 Cb 0.54 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1dqe h TYR 34 CO 0.05 0.68 0.00 0.09 -1.05 0.00 0.00 178.16 177.93 1dqe n ASN 35 N -3.98 3.89 -0.23 3.88 3.02 -0.93 -3.82 115.26 117.09 1dqe n ASN 35 Ca -0.02 -2.51 0.02 0.00 -0.03 0.00 0.00 54.58 52.04 1dqe n ASN 35 Cb 0.52 -0.46 0.11 0.00 -0.61 0.00 0.00 39.78 39.35 1dqe n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1dqe h PHE 36 N 2.62 -0.14 -0.01 3.10 3.57 -1.25 -2.06 116.94 122.77 1dqe h PHE 36 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1dqe h PHE 36 Cb 1.23 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1dqe h PHE 36 CO 0.51 -0.22 -0.32 0.91 -2.23 0.00 0.00 178.31 176.96 1dqe n TRP 37 N -5.35 0.00 -1.70 0.41 7.02 -0.37 -4.91 117.44 112.53 1dqe n TRP 37 Ca 0.10 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.15 1dqe n TRP 37 Cb 0.39 -0.09 -0.01 0.00 -2.42 0.00 0.00 31.31 29.18 1dqe n TRP 37 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1dqe n LYS 38 N -0.47 2.23 -0.19 -0.99 5.02 -0.78 -4.82 118.16 118.16 1dqe n LYS 38 Ca 0.11 0.79 -0.07 0.00 -2.02 0.00 0.00 58.31 57.12 1dqe n LYS 38 Cb 0.38 -2.44 0.03 0.00 -0.02 0.00 0.00 35.03 32.98 1dqe n LYS 38 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1dqe h GLU 39 N 3.49 0.74 0.00 1.97 5.08 -1.91 -1.55 114.58 122.40 1dqe h GLU 39 Ca -0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1dqe h GLU 39 Cb 1.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1dqe h GLU 39 CO 0.70 0.51 0.00 0.78 -1.00 0.00 0.00 179.01 180.00 1dqe h GLY 40 N 0.75 0.00 -4.36 -3.84 0.00 -1.97 -3.47 103.07 90.18 1dqe h GLY 40 Ca 0.20 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.00 1dqe h GLY 40 CO -0.04 0.00 0.37 -0.47 0.00 0.00 0.00 176.54 176.40 1dqe s TYR 41 N -3.32 3.68 -0.18 5.60 5.04 -0.58 -5.05 117.35 122.54 1dqe s TYR 41 Ca 0.06 1.71 -0.05 0.00 -2.44 0.00 0.00 57.07 56.35 1dqe s TYR 41 Cb 0.09 -3.11 -0.03 0.00 0.35 0.00 0.00 41.96 39.26 1dqe s TYR 41 CO 0.54 0.01 0.01 -1.21 -1.34 0.00 0.00 175.55 173.56 1dqe s GLU 42 N 0.83 3.77 0.39 4.97 2.02 -1.26 -4.85 118.70 124.57 1dqe s GLU 42 Ca 0.51 -0.45 -0.26 0.00 0.02 0.00 0.00 54.97 54.79 1dqe s GLU 42 Cb -0.22 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 1dqe s GLU 42 CO 0.28 0.19 1.23 0.96 0.02 0.00 0.00 175.26 177.94 1dqe s ILE 43 N 0.55 2.94 0.00 -1.63 -4.36 -1.26 -4.91 121.20 112.52 1dqe s ILE 43 Ca -0.00 0.83 0.00 0.00 -0.26 0.00 0.00 60.65 61.22 1dqe s ILE 43 Cb -0.14 -3.48 0.00 0.00 1.25 0.00 0.00 42.46 40.09 1dqe s ILE 43 CO 0.02 0.11 0.00 2.29 0.24 0.00 0.00 174.94 177.60 1dqe n LYS 44 N 0.23 4.30 -3.53 0.37 2.85 -1.26 -5.05 118.16 116.07 1dqe n LYS 44 Ca 0.03 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.95 1dqe n LYS 44 Cb 0.45 -0.36 -0.06 0.00 -0.65 0.00 0.00 35.03 34.41 1dqe n LYS 44 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1dqe s ASN 45 N 0.00 6.68 0.16 -5.58 0.01 -1.26 -5.00 114.94 109.95 1dqe s ASN 45 Ca 0.00 0.86 -0.04 0.00 -0.71 0.00 0.00 52.86 52.97 1dqe s ASN 45 Cb 0.00 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1dqe s ASN 45 CO 0.00 0.16 1.39 -0.09 -1.51 0.00 0.00 177.10 177.05 1dqe h ARG 46 N 3.70 0.46 0.00 -0.60 2.43 -1.99 -2.05 114.38 116.33 1dqe h ARG 46 Ca -0.49 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.28 1dqe h ARG 46 Cb 1.19 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1dqe h ARG 46 CO 0.66 1.04 0.00 0.39 -1.51 0.00 0.00 179.97 180.55 1dqe n GLU 47 N -3.83 0.03 -0.01 0.20 1.02 -1.26 -1.30 120.64 115.49 1dqe n GLU 47 Ca -0.05 0.23 -0.14 0.00 -0.02 0.00 0.00 57.16 57.18 1dqe n GLU 47 Cb 0.74 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1dqe n GLU 47 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1dqe h THR 48 N 0.00 1.30 -0.65 2.62 2.02 -1.74 0.17 112.91 116.63 1dqe h THR 48 Ca 0.00 -1.93 0.09 0.00 0.77 0.00 0.00 66.41 65.34 1dqe h THR 48 Cb 0.31 1.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.56 1dqe h THR 48 CO 0.00 0.61 0.29 1.23 0.37 0.00 0.00 175.52 178.02 1dqe h GLY 49 N 0.82 0.95 1.23 2.16 0.00 -1.21 0.18 103.07 107.21 1dqe h GLY 49 Ca -0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 1dqe h GLY 49 CO 0.14 0.02 -0.57 0.00 0.00 0.00 0.00 176.54 176.13 1dqe h ALA 51 N 0.74 0.84 -0.64 0.00 0.00 -0.38 -2.12 119.26 117.70 1dqe h ALA 51 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1dqe h ALA 51 Cb 1.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1dqe h ALA 51 CO 0.12 0.20 0.13 0.82 0.00 0.00 0.00 179.25 180.52 1dqe h ILE 52 N 0.83 1.26 -0.44 0.00 2.04 -0.44 0.17 117.51 120.93 1dqe h ILE 52 Ca 0.25 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.20 1dqe h ILE 52 Cb -0.03 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1dqe h ILE 52 CO -0.08 0.37 0.12 -0.03 0.00 0.00 0.00 178.15 178.52 1dqe h MET 53 N 0.97 0.26 -0.67 2.37 4.05 -1.40 0.44 114.93 120.96 1dqe h MET 53 Ca 0.20 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1dqe h MET 53 Cb 0.40 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1dqe h MET 53 CO 0.01 0.17 0.28 0.00 0.23 0.00 0.00 176.91 177.60 1dqe h LEU 55 N 0.94 0.92 -0.05 0.00 3.38 -0.78 0.63 115.31 120.34 1dqe h LEU 55 Ca 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1dqe h LEU 55 Cb 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1dqe h LEU 55 CO -0.02 0.90 0.00 0.28 0.09 0.00 0.00 178.44 179.69 1dqe h SER 56 N 0.89 0.08 -0.70 -0.43 0.02 0.70 -2.04 113.55 112.08 1dqe h SER 56 Ca 0.20 -0.31 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1dqe h SER 56 Cb 0.32 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 1dqe h SER 56 CO -0.00 0.37 0.39 0.74 -1.14 0.00 0.00 176.83 177.19 1dqe h THR 57 N -0.21 0.96 0.00 -2.27 2.02 0.51 -1.33 112.91 112.59 1dqe h THR 57 Ca 0.01 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1dqe h THR 57 Cb 0.33 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1dqe h THR 57 CO 0.00 0.13 -0.20 0.11 0.37 0.00 0.00 175.52 175.93 1dqe h LYS 58 N 0.71 0.00 -0.01 6.66 1.57 -0.73 -2.36 116.57 122.41 1dqe h LYS 58 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1dqe h LYS 58 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1dqe h LYS 58 CO -0.20 0.20 -0.10 1.28 -0.57 0.00 0.00 179.45 180.06 1dqe n LEU 59 N -4.27 0.68 -0.75 2.94 4.77 -0.70 -4.92 117.00 114.75 1dqe n LEU 59 Ca -0.02 -0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 55.80 1dqe n LEU 59 Cb 0.26 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1dqe n LEU 59 CO 0.36 0.12 0.01 0.59 -1.33 0.00 0.00 177.39 177.14 1dqe n ASN 60 N -0.72 -2.34 -1.19 -1.43 3.02 -0.60 -4.92 115.26 107.07 1dqe n ASN 60 Ca 0.16 -0.05 0.11 0.00 -0.03 0.00 0.00 54.58 54.76 1dqe n ASN 60 Cb 0.28 -1.24 0.27 0.00 -0.61 0.00 0.00 39.78 38.48 1dqe n ASN 60 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1dqe n MET 61 N -1.28 2.64 -5.25 3.52 1.56 -0.61 -4.77 117.12 112.94 1dqe n MET 61 Ca -0.02 -2.45 -0.32 0.00 -0.27 0.00 0.00 57.70 54.64 1dqe n MET 61 Cb 0.52 -1.51 -0.17 0.00 2.15 0.00 0.00 33.22 34.22 1dqe n MET 61 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1dqe s LEU 62 N -1.12 2.08 0.80 -0.89 1.43 -1.26 -0.98 118.68 118.74 1dqe s LEU 62 Ca 0.42 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1dqe s LEU 62 Cb 0.23 -1.39 0.16 0.00 0.03 0.00 0.00 46.19 45.22 1dqe s LEU 62 CO 0.30 0.21 1.10 1.51 0.23 0.00 0.00 176.35 179.70 1dqe s ASP 63 N 0.03 3.92 0.43 2.29 1.47 0.10 -4.74 116.67 120.17 1dqe s ASP 63 Ca -0.10 -0.24 0.11 0.00 1.18 0.00 0.00 52.55 53.50 1dqe s ASP 63 Cb -0.15 0.00 0.94 0.00 -0.34 0.00 0.00 42.92 43.37 1dqe s ASP 63 CO 0.06 -2.16 2.01 -0.65 0.68 0.00 0.00 175.17 175.10 1dqe h PRO 64 N -0.88 0.21 -0.03 2.11 0.11 -1.99 0.35 132.00 131.89 1dqe h PRO 64 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1dqe h PRO 64 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dqe h PRO 64 CO 0.38 0.26 0.00 -1.91 -0.21 0.00 0.00 178.00 176.52 1dqe n GLU 65 N -4.39 1.13 -0.50 1.05 2.13 -1.26 -4.89 120.64 113.92 1dqe n GLU 65 Ca -0.01 -0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1dqe n GLU 65 Cb 0.18 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1dqe n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dqe n GLY 66 N 0.87 0.75 3.97 8.31 0.00 0.12 -5.05 105.19 114.15 1dqe n GLY 66 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1dqe n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dqe s ASN 67 N -2.73 5.89 0.18 1.61 0.01 -1.25 -4.63 114.94 114.02 1dqe s ASN 67 Ca 0.00 0.12 -0.33 0.00 -0.71 0.00 0.00 52.86 51.94 1dqe s ASN 67 Cb 0.00 -1.44 -0.14 0.00 0.41 0.00 0.00 41.25 40.09 1dqe s ASN 67 CO 0.00 -0.60 1.58 -0.11 -1.51 0.00 0.00 177.10 176.46 1dqe n LEU 68 N -1.92 3.24 -4.61 0.60 7.94 -1.26 0.00 117.00 120.99 1dqe n LEU 68 Ca 0.01 1.09 -0.43 0.00 -1.11 0.00 0.00 56.01 55.57 1dqe n LEU 68 Cb 0.58 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.05 1dqe n LEU 68 CO 0.46 -0.24 0.85 -2.28 -1.11 0.00 0.00 177.39 175.06 1dqe s HIS 69 N 0.80 3.07 0.22 1.96 5.65 -0.15 -4.65 115.29 122.18 1dqe s HIS 69 Ca 0.77 0.90 -0.03 0.00 0.25 0.00 0.00 55.06 56.94 1dqe s HIS 69 Cb -0.65 -3.76 0.20 0.00 -1.18 0.00 0.00 32.58 27.19 1dqe s HIS 69 CO 0.39 -0.86 1.61 0.45 -0.65 0.00 0.00 174.74 175.68 1dqe h HIS 70 N 8.45 0.78 0.03 3.88 -0.00 -1.93 -0.11 115.15 126.25 1dqe h HIS 70 Ca -0.22 -0.20 -0.00 0.00 -0.00 0.00 0.00 60.37 59.95 1dqe h HIS 70 Cb 1.07 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 1dqe h HIS 70 CO 0.85 0.90 -0.01 0.78 -0.00 0.00 0.00 177.93 180.45 1dqe h GLY 71 N 0.99 -0.04 2.00 2.45 0.00 -1.98 0.53 103.07 107.01 1dqe h GLY 71 Ca 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 1dqe h GLY 71 CO 0.07 -0.01 -0.61 3.43 0.00 0.00 0.00 176.54 179.42 1dqe h ASN 72 N -0.25 0.00 -0.62 0.19 2.35 -1.81 -1.96 115.58 113.50 1dqe h ASN 72 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1dqe h ASN 72 Cb 0.23 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1dqe h ASN 72 CO 0.01 0.61 0.08 0.00 -1.65 0.00 0.00 177.43 176.47 1dqe h ALA 73 N 1.39 0.94 -0.28 -0.83 0.00 -0.93 -1.36 119.26 118.20 1dqe h ALA 73 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1dqe h ALA 73 Cb 1.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1dqe h ALA 73 CO 0.08 0.65 0.18 1.98 0.00 0.00 0.00 179.25 182.14 1dqe h MET 74 N 0.98 0.35 -0.71 0.00 1.85 -0.61 -0.05 114.93 116.74 1dqe h MET 74 Ca 0.19 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.31 1dqe h MET 74 Cb 0.45 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.35 1dqe h MET 74 CO 0.02 0.23 0.42 0.93 -0.40 0.00 0.00 176.91 178.11 1dqe h GLU 75 N 0.37 0.77 -0.35 0.39 5.08 -1.17 -1.11 114.58 118.56 1dqe h GLU 75 Ca 0.11 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1dqe h GLU 75 Cb -0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1dqe h GLU 75 CO -0.03 0.51 0.08 0.35 -1.00 0.00 0.00 179.01 178.92 1dqe h PHE 76 N 0.79 0.58 -0.66 4.33 3.57 -0.94 0.10 116.94 124.71 1dqe h PHE 76 Ca 0.31 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1dqe h PHE 76 Cb 0.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1dqe h PHE 76 CO -0.06 0.59 0.08 0.00 -2.23 0.00 0.00 178.31 176.70 1dqe h ALA 77 N 0.93 0.89 -0.26 2.41 0.00 -0.74 -2.52 119.26 119.96 1dqe h ALA 77 Ca 0.11 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1dqe h ALA 77 Cb 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dqe h ALA 77 CO 0.00 0.67 -0.51 0.87 0.00 0.00 0.00 179.25 180.29 1dqe h LYS 78 N 1.04 0.73 -0.97 0.00 1.57 -1.09 -1.52 116.57 116.33 1dqe h LYS 78 Ca 0.20 -0.44 0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1dqe h LYS 78 Cb 0.47 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1dqe h LYS 78 CO 0.02 1.06 0.60 -0.22 -0.57 0.00 0.00 179.45 180.34 1dqe h LYS 79 N 0.57 0.95 -0.65 3.15 3.64 -0.76 -1.62 116.57 121.85 1dqe h LYS 79 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1dqe h LYS 79 Cb 1.08 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1dqe h LYS 79 CO 0.11 0.63 0.00 0.72 -2.27 0.00 0.00 179.45 178.63 1dqe n HIS 80 N -4.63 1.43 0.00 1.91 8.25 -0.97 -4.93 115.22 116.28 1dqe n HIS 80 Ca 0.17 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1dqe n HIS 80 Cb 0.32 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1dqe n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqe n GLY 81 N 0.72 0.78 3.75 -1.41 0.00 -0.61 -4.53 105.19 103.89 1dqe n GLY 81 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1dqe n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqe s ALA 82 N -2.00 3.47 1.01 4.61 0.00 -0.63 -4.96 121.76 123.26 1dqe s ALA 82 Ca 0.00 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 1dqe s ALA 82 Cb 0.00 -3.43 0.21 0.00 0.00 0.00 0.00 23.12 19.91 1dqe s ALA 82 CO 0.00 -0.42 1.25 -0.40 0.00 0.00 0.00 175.76 176.19 1dqe n ASP 83 N 2.08 0.04 -0.03 0.00 5.68 -1.26 -4.24 116.55 118.83 1dqe n ASP 83 Ca 0.03 -1.44 -0.01 0.00 -0.50 0.00 0.00 54.79 52.87 1dqe n ASP 83 Cb 0.44 -0.96 0.27 0.00 -1.14 0.00 0.00 41.12 39.72 1dqe n ASP 83 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1dqe h GLU 84 N 0.00 0.59 -0.24 0.11 4.81 -1.99 -1.03 114.58 116.83 1dqe h GLU 84 Ca -0.41 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 1dqe h GLU 84 Cb 1.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1dqe h GLU 84 CO 0.29 0.60 -0.07 1.15 -0.73 0.00 0.00 179.01 180.25 1dqe h THR 85 N 0.56 1.29 -0.31 0.32 2.02 -1.99 -1.38 112.91 113.42 1dqe h THR 85 Ca 0.12 -1.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 1dqe h THR 85 Cb 0.34 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1dqe h THR 85 CO 0.01 0.34 -0.38 -0.03 0.37 0.00 0.00 175.52 175.83 1dqe h MET 86 N 0.20 0.73 -0.42 6.66 1.85 -1.80 -1.92 114.93 120.23 1dqe h MET 86 Ca 0.06 -0.37 0.08 0.00 -0.61 0.00 0.00 59.70 58.86 1dqe h MET 86 Cb 0.55 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.51 1dqe h MET 86 CO 0.03 0.98 -0.04 0.00 -0.40 0.00 0.00 176.91 177.48 1dqe h ALA 87 N 0.97 0.34 -0.52 0.39 0.00 -1.13 0.28 119.26 119.59 1dqe h ALA 87 Ca 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1dqe h ALA 87 Cb 0.92 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1dqe h ALA 87 CO 0.08 -0.42 0.07 0.37 0.00 0.00 0.00 179.25 179.35 1dqe h GLN 88 N 0.06 0.84 -0.82 0.00 5.75 -1.17 -1.80 115.11 117.96 1dqe h GLN 88 Ca 0.21 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1dqe h GLN 88 Cb 0.30 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 1dqe h GLN 88 CO -0.38 0.80 0.40 0.37 -2.65 0.00 0.00 178.83 177.37 1dqe h GLN 89 N 0.79 1.18 -0.09 1.69 4.15 -0.44 -0.15 115.11 122.25 1dqe h GLN 89 Ca 0.16 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1dqe h GLN 89 Cb 0.38 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1dqe h GLN 89 CO 0.01 0.90 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.73 1dqe h LEU 90 N 1.17 0.16 -0.62 -2.39 3.38 -0.58 -0.39 115.31 116.05 1dqe h LEU 90 Ca 0.28 -0.34 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1dqe h LEU 90 Cb 0.11 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1dqe h LEU 90 CO -0.04 0.46 0.11 0.40 0.09 0.00 0.00 178.44 179.46 1dqe h ILE 91 N -0.14 0.60 -0.21 1.22 2.04 -1.24 -1.96 117.51 117.82 1dqe h ILE 91 Ca 0.02 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 1dqe h ILE 91 Cb 0.38 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1dqe h ILE 91 CO 0.01 0.04 -0.28 0.44 0.00 0.00 0.00 178.15 178.36 1dqe h ASP 92 N 0.23 0.41 -0.05 1.72 3.32 -0.84 0.12 116.42 121.33 1dqe h ASP 92 Ca 0.33 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1dqe h ASP 92 Cb 0.50 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1dqe h ASP 92 CO -0.44 0.69 0.03 0.40 -1.72 0.00 0.00 179.24 178.20 1dqe h ILE 93 N 0.36 1.04 -0.40 0.35 2.04 -0.64 -1.36 117.51 118.92 1dqe h ILE 93 Ca 0.05 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1dqe h ILE 93 Cb 0.69 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1dqe h ILE 93 CO 0.05 0.04 0.09 0.58 0.00 0.00 0.00 178.15 178.91 1dqe h VAL 94 N 0.02 0.81 -0.25 1.67 2.07 -1.01 0.32 116.25 119.88 1dqe h VAL 94 Ca 0.02 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1dqe h VAL 94 Cb 0.04 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1dqe h VAL 94 CO -0.00 0.04 0.04 -0.74 0.02 0.00 0.00 177.57 176.92 1dqe h HIS 95 N 0.22 0.45 -0.56 1.57 -0.00 -0.96 0.17 115.15 116.03 1dqe h HIS 95 Ca 0.19 -0.06 0.08 0.00 -0.00 0.00 0.00 60.37 60.57 1dqe h HIS 95 Cb 0.22 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.45 1dqe h HIS 95 CO -0.19 0.54 0.22 0.78 -0.00 0.00 0.00 177.93 179.28 1dqe h GLY 96 N 0.22 0.78 2.00 5.26 0.00 -0.98 -2.35 103.07 108.00 1dqe h GLY 96 Ca 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1dqe h GLY 96 CO 0.01 0.02 -0.18 0.00 0.00 0.00 0.00 176.54 176.38 1dqe h GLU 98 N 0.00 0.00 0.14 0.00 5.08 -0.15 -2.49 114.58 117.16 1dqe h GLU 98 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1dqe h GLU 98 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1dqe h GLU 98 CO 0.02 0.29 -1.61 0.87 -1.00 0.00 0.00 179.01 177.59 1dqe h LYS 99 N 0.00 0.30 0.00 2.33 1.79 -1.17 -3.37 116.57 116.45 1dqe h LYS 99 Ca -0.00 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1dqe h LYS 99 Cb 0.65 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1dqe h LYS 99 CO 0.04 1.18 -0.62 0.66 -1.08 0.00 0.00 179.45 179.62 1dqe h SER 100 N 0.08 0.00 -3.44 0.86 4.64 -1.19 -3.44 113.55 111.06 1dqe h SER 100 Ca -0.28 -0.20 -0.54 0.00 -0.47 0.00 0.00 61.79 60.30 1dqe h SER 100 Cb 2.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.10 1dqe h SER 100 CO 0.17 0.10 0.17 -0.89 -0.87 0.00 0.00 176.83 175.51 1dqe s THR 101 N -3.17 4.68 0.21 2.95 2.01 -0.94 -4.99 115.64 116.39 1dqe s THR 101 Ca 0.06 1.66 -0.31 0.00 0.31 0.00 0.00 61.69 63.41 1dqe s THR 101 Cb 0.13 -4.13 -0.15 0.00 0.01 0.00 0.00 72.50 68.36 1dqe s THR 101 CO 0.72 0.38 1.12 -2.65 -0.69 0.00 0.00 174.62 173.50 1dqe n PRO 102 N 2.69 1.26 -1.18 4.92 -0.02 -1.26 -4.92 135.00 136.49 1dqe n PRO 102 Ca -0.03 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 1dqe n PRO 102 Cb 0.50 -1.91 0.10 0.00 -0.02 0.00 0.00 33.50 32.17 1dqe n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dqe n ALA 103 N 1.13 -0.67 -3.58 3.55 0.00 -1.26 -4.96 120.51 114.72 1dqe n ALA 103 Ca 0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1dqe n ALA 103 Cb 0.27 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 1dqe n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1dqe s ASN 104 N -1.83 -0.70 0.08 0.00 3.84 -1.26 -5.06 114.94 110.01 1dqe s ASN 104 Ca 0.70 1.15 0.24 0.00 0.21 0.00 0.00 52.86 55.16 1dqe s ASN 104 Cb -0.31 1.10 0.22 0.00 -0.55 0.00 0.00 41.25 41.71 1dqe s ASN 104 CO 0.54 -0.38 1.19 0.47 -2.79 0.00 0.00 177.10 176.13 1dqe n ASP 105 N 2.04 0.65 -4.63 -4.21 8.00 -1.26 -4.62 116.55 112.52 1dqe n ASP 105 Ca -0.16 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 54.87 1dqe n ASP 105 Cb 0.56 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 42.09 1dqe n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1dqe s ASP 106 N -4.04 6.85 0.07 -2.24 -1.08 -1.26 -4.92 116.67 110.05 1dqe s ASP 106 Ca 0.05 0.90 -0.15 0.00 -0.52 0.00 0.00 52.55 52.82 1dqe s ASP 106 Cb 0.14 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.88 1dqe s ASP 106 CO 0.76 -0.97 1.26 0.11 0.52 0.00 0.00 175.17 176.84 1dqe h LYS 107 N 8.37 0.65 -0.53 4.34 1.57 -2.00 -2.17 116.57 126.81 1dqe h LYS 107 Ca -0.21 -0.55 0.11 0.00 -1.87 0.00 0.00 60.65 58.13 1dqe h LYS 107 Cb 1.06 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.39 1dqe h LYS 107 CO 1.05 1.16 -0.16 0.00 -0.57 0.00 0.00 179.45 180.94 1dqe h ILE 109 N -0.03 1.25 -0.48 0.00 2.04 -1.80 -1.65 117.51 116.85 1dqe h ILE 109 Ca 0.25 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 1dqe h ILE 109 Cb 0.42 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1dqe h ILE 109 CO -0.56 0.34 -0.15 -0.25 0.00 0.00 0.00 178.15 177.53 1dqe h TRP 110 N 0.93 1.02 -0.23 1.37 7.01 -0.99 -1.29 115.95 123.77 1dqe h TRP 110 Ca 0.20 -0.22 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 1dqe h TRP 110 Cb 0.34 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1dqe h TRP 110 CO 0.03 0.99 -0.25 1.15 -2.79 0.00 0.00 178.44 177.57 1dqe h THR 111 N 0.81 1.26 -0.51 2.65 2.02 -0.60 -0.81 112.91 117.72 1dqe h THR 111 Ca 0.12 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1dqe h THR 111 Cb 0.69 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1dqe h THR 111 CO 0.05 0.39 0.26 0.25 0.37 0.00 0.00 175.52 176.85 1dqe h LEU 112 N 0.39 0.65 -0.67 2.58 5.85 -0.56 0.10 115.31 123.65 1dqe h LEU 112 Ca 0.06 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1dqe h LEU 112 Cb 0.65 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1dqe h LEU 112 CO 0.05 0.57 0.31 1.23 -0.34 0.00 0.00 178.44 180.26 1dqe h GLY 113 N 0.68 1.04 1.03 3.75 0.00 -0.33 -0.30 103.07 108.94 1dqe h GLY 113 Ca 0.18 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1dqe h GLY 113 CO -0.03 0.50 -0.14 -2.08 0.00 0.00 0.00 176.54 174.80 1dqe h VAL 114 N 0.93 1.27 -0.36 4.60 2.07 -1.05 -1.02 116.25 122.71 1dqe h VAL 114 Ca 0.23 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 1dqe h VAL 114 Cb 0.14 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1dqe h VAL 114 CO -0.03 0.43 -0.09 0.00 0.02 0.00 0.00 177.57 177.90 1dqe h ALA 115 N 0.85 1.17 -0.11 1.67 0.00 -0.50 0.07 119.26 122.42 1dqe h ALA 115 Ca 0.11 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1dqe h ALA 115 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1dqe h ALA 115 CO 0.05 0.53 -0.63 1.79 0.00 0.00 0.00 179.25 180.99 1dqe h THR 116 N 0.56 1.36 -0.61 0.00 1.35 -0.78 -0.51 112.91 114.28 1dqe h THR 116 Ca 0.10 -1.97 -0.09 0.00 -0.55 0.00 0.00 66.41 63.91 1dqe h THR 116 Cb 0.50 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1dqe h THR 116 CO 0.03 0.59 0.05 0.00 -0.25 0.00 0.00 175.52 175.94 1dqe h PHE 118 N 0.95 -0.73 -0.49 0.00 3.57 -0.81 -2.39 116.94 117.03 1dqe h PHE 118 Ca 0.18 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1dqe h PHE 118 Cb 0.50 0.24 -0.10 0.00 2.79 0.00 0.00 35.95 39.38 1dqe h PHE 118 CO 0.04 -0.44 -0.34 -0.22 -2.23 0.00 0.00 178.31 175.12 1dqe h LYS 119 N -0.83 -0.20 -0.99 1.11 3.64 -1.05 -1.15 116.57 117.10 1dqe h LYS 119 Ca -0.08 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1dqe h LYS 119 Cb 0.62 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 1dqe h LYS 119 CO 0.13 -0.14 0.62 0.00 -2.27 0.00 0.00 179.45 177.79 1dqe h ALA 120 N 0.85 1.66 -0.03 5.00 0.00 -1.16 -1.17 119.26 124.41 1dqe h ALA 120 Ca 0.20 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1dqe h ALA 120 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1dqe h ALA 120 CO -0.61 0.04 -0.80 0.93 0.00 0.00 0.00 179.25 178.81 1dqe h GLU 121 N 0.83 0.29 -0.33 0.00 4.39 -0.89 -1.24 114.58 117.63 1dqe h GLU 121 Ca 0.53 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 59.85 1dqe h GLU 121 Cb 0.73 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1dqe h GLU 121 CO -0.30 0.95 -0.24 0.82 -1.16 0.00 0.00 179.01 179.07 1dqe h ILE 122 N 0.18 1.27 -0.38 3.13 1.08 -0.88 -2.06 117.51 119.85 1dqe h ILE 122 Ca -0.04 -1.32 0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1dqe h ILE 122 Cb 1.39 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.39 1dqe h ILE 122 CO 0.13 0.43 0.25 0.45 -0.69 0.00 0.00 178.15 178.72 1dqe h HIS 123 N 0.58 0.47 -0.69 1.37 3.86 -1.06 -0.69 115.15 118.98 1dqe h HIS 123 Ca 0.08 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.39 1dqe h HIS 123 Cb 0.72 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 1dqe h HIS 123 CO 0.03 0.29 0.46 0.87 0.86 0.00 0.00 177.93 180.44 1dqe h LYS 124 N 0.51 0.61 -0.00 2.45 1.57 -0.87 -0.84 116.57 119.99 1dqe h LYS 124 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1dqe h LYS 124 Cb -0.04 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1dqe h LYS 124 CO -0.04 0.40 -0.01 1.28 -0.57 0.00 0.00 179.45 180.51 1dqe n LEU 125 N -4.48 0.07 -2.76 2.94 4.77 -0.81 -4.91 117.00 111.81 1dqe n LEU 125 Ca 0.11 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 1dqe n LEU 125 Cb 0.30 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1dqe n LEU 125 CO 0.33 0.01 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.20 1dqe n ASN 126 N -1.11 -5.76 -1.03 -1.43 4.05 -0.32 -4.90 115.26 104.76 1dqe n ASN 126 Ca 0.19 -0.26 0.10 0.00 0.45 0.00 0.00 54.58 55.06 1dqe n ASN 126 Cb 0.19 -4.59 0.20 0.00 1.23 0.00 0.00 39.78 36.81 1dqe n ASN 126 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1dqe n TRP 127 N -4.41 0.49 -2.96 1.20 7.02 -0.33 -4.67 117.44 113.77 1dqe n TRP 127 Ca -0.11 -0.28 -0.40 0.00 -1.02 0.00 0.00 57.50 55.69 1dqe n TRP 127 Cb 0.61 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.46 1dqe n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1dqe s ALA 128 N -1.31 3.30 0.46 6.99 0.00 -1.24 -4.11 121.76 125.86 1dqe s ALA 128 Ca 0.35 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 1dqe s ALA 128 Cb 0.20 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 1dqe s ALA 128 CO 0.28 -0.11 1.36 -2.14 0.00 0.00 0.00 175.76 175.15 1dqe s PRO 129 N 0.72 3.62 -0.17 0.00 0.02 -1.26 -4.92 135.00 133.01 1dqe s PRO 129 Ca 0.41 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.71 1dqe s PRO 129 Cb -0.19 -2.56 -0.22 0.00 0.02 0.00 0.00 34.50 31.55 1dqe s PRO 129 CO 0.21 -0.82 0.15 -1.13 -0.33 0.00 0.00 177.00 175.08 1dqe n SER 130 N -0.35 1.64 -0.08 2.53 3.41 -1.26 -4.69 113.62 114.81 1dqe n SER 130 Ca 0.06 0.08 -0.11 0.00 -0.26 0.00 0.00 58.87 58.65 1dqe n SER 130 Cb 0.43 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 1dqe n SER 130 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1dqe n MET 131 N -3.25 0.84 -2.95 4.33 0.00 -1.26 -4.75 117.12 110.08 1dqe n MET 131 Ca -0.35 0.07 -0.44 0.00 -0.00 0.00 0.00 57.70 56.98 1dqe n MET 131 Cb 1.04 -1.35 -0.02 0.00 0.00 0.00 0.00 33.22 32.89 1dqe n MET 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1dqe s ASP 132 N -5.40 6.81 0.00 6.12 1.01 -1.26 -4.86 116.67 119.08 1dqe s ASP 132 Ca -0.19 -2.44 0.24 0.00 0.71 0.00 0.00 52.55 50.87 1dqe s ASP 132 Cb 0.05 -2.39 0.24 0.00 1.01 0.00 0.00 42.92 41.84 1dqe s ASP 132 CO 0.45 -0.92 1.24 1.33 0.21 0.00 0.00 175.17 177.49 1dqe n VAL 133 N 5.08 0.00 -1.97 -1.27 0.24 -1.26 -4.72 118.33 114.44 1dqe n VAL 133 Ca 0.28 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.34 62.09 1dqe n VAL 133 Cb 0.47 0.93 0.01 0.00 -1.47 0.00 0.00 33.84 33.77 1dqe n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dqe s ALA 134 N -2.54 3.13 -0.22 2.33 0.00 -1.25 -1.24 121.76 121.97 1dqe s ALA 134 Ca 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 1dqe s ALA 134 Cb 0.18 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1dqe s ALA 134 CO 0.58 -0.64 0.07 0.08 0.00 0.00 0.00 175.76 175.86 1dqe s VAL 135 N -3.11 4.57 0.00 0.00 1.01 -0.27 -4.49 120.40 118.10 1dqe s VAL 135 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1dqe s VAL 135 Cb -0.11 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1dqe s VAL 135 CO 0.52 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.61 1dqe n GLY 136 N 4.35 -1.54 0.00 4.51 0.00 -0.32 -4.64 105.19 107.55 1dqe n GLY 136 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1dqe n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50