#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqe n ARG 3 N 0.00 0.00 -3.60 1.61 1.74 -1.26 -4.56 116.66 110.59 1tqe n ARG 3 Ca 0.00 0.35 -0.16 0.00 -0.77 0.00 0.00 57.85 57.28 1tqe n ARG 3 Cb 0.00 -1.56 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 1tqe n ARG 3 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1tqe s LYS 4 N -2.68 0.89 0.21 5.56 2.20 -1.26 -5.15 119.74 119.51 1tqe s LYS 4 Ca 0.00 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.82 1tqe s LYS 4 Cb 0.00 0.42 -0.08 0.00 -1.51 0.00 0.00 37.83 36.66 1tqe s LYS 4 CO 0.00 -0.21 1.17 0.21 -0.36 0.00 0.00 175.35 176.16 1tqe s LYS 5 N -0.51 4.53 -0.06 4.03 2.20 -1.26 -5.04 119.74 123.63 1tqe s LYS 5 Ca -0.06 1.85 0.04 0.00 -0.36 0.00 0.00 55.97 57.43 1tqe s LYS 5 Cb -0.03 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1tqe s LYS 5 CO 0.05 -0.01 -0.17 0.96 -0.36 0.00 0.00 175.35 175.82 1tqe s ILE 6 N -0.32 1.50 0.97 5.43 -4.36 -1.26 -5.13 121.20 118.02 1tqe s ILE 6 Ca 0.51 -0.73 -0.12 0.00 -0.26 0.00 0.00 60.65 60.05 1tqe s ILE 6 Cb -0.32 -1.31 0.17 0.00 1.25 0.00 0.00 42.46 42.25 1tqe s ILE 6 CO 0.38 0.43 1.09 -1.10 0.24 0.00 0.00 174.94 175.98 1tqe s GLN 7 N 0.26 0.68 -0.46 0.37 -1.52 -1.26 -4.98 119.66 112.75 1tqe s GLN 7 Ca -0.10 0.70 -0.09 0.00 -1.95 0.00 0.00 55.36 53.93 1tqe s GLN 7 Cb -0.14 -1.75 0.11 0.00 -0.22 0.00 0.00 33.01 31.01 1tqe s GLN 7 CO 0.04 -2.61 0.32 0.42 -0.25 0.00 0.00 175.29 173.21 1tqe s ILE 8 N -2.90 4.20 -0.18 1.08 1.09 -1.26 -5.01 121.20 118.22 1tqe s ILE 8 Ca 0.65 -1.69 -0.28 0.00 -1.10 0.00 0.00 60.65 58.23 1tqe s ILE 8 Cb -0.19 -3.72 0.08 0.00 -1.06 0.00 0.00 42.46 37.58 1tqe s ILE 8 CO 0.58 -0.70 0.78 -0.94 -0.10 0.00 0.00 174.94 174.56 1tqe s SER 9 N 2.51 -0.63 -0.19 3.58 1.04 -1.26 -5.10 113.70 113.66 1tqe s SER 9 Ca 0.05 0.97 -0.17 0.00 0.48 0.00 0.00 55.95 57.29 1tqe s SER 9 Cb -0.25 0.91 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 1tqe s SER 9 CO -0.00 -0.38 0.81 -1.14 0.98 0.00 0.00 173.24 173.51 1tqe n ARG 10 N 1.74 0.00 -1.77 4.02 0.63 -1.26 -4.74 116.66 115.28 1tqe n ARG 10 Ca -0.15 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.36 1tqe n ARG 10 Cb 0.56 -0.57 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 1tqe n ARG 10 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1tqe s ILE 11 N 2.25 2.86 -0.04 5.15 1.01 -1.26 -4.92 121.20 126.25 1tqe s ILE 11 Ca 0.45 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.14 1tqe s ILE 11 Cb -0.57 -3.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 1tqe s ILE 11 CO 0.25 -0.01 0.61 -0.07 0.00 0.00 0.00 174.94 175.73 1tqe h LEU 12 N 9.32 -0.38 -8.65 2.97 3.38 -1.99 -3.43 115.31 116.52 1tqe h LEU 12 Ca -0.46 -0.04 -0.59 0.00 0.09 0.00 0.00 57.88 56.88 1tqe h LEU 12 Cb 1.22 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1tqe h LEU 12 CO 0.94 0.08 1.52 -0.67 0.09 0.00 0.00 178.44 180.40 1tqe n ASP 13 N -5.08 2.38 0.24 -0.43 2.03 -1.26 -4.78 116.55 109.66 1tqe n ASP 13 Ca -0.06 0.12 0.18 0.00 0.52 0.00 0.00 54.79 55.54 1tqe n ASP 13 Cb 0.21 -1.40 0.82 0.00 -0.72 0.00 0.00 41.12 40.02 1tqe n ASP 13 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1tqe h GLN 14 N 14.83 0.00 0.34 -0.67 4.15 -1.97 0.23 115.11 132.02 1tqe h GLN 14 Ca -0.29 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1tqe h GLN 14 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1tqe h GLN 14 CO 1.06 0.00 -0.16 0.00 -1.93 0.00 0.00 178.83 177.80 1tqe h ARG 15 N 0.00 -0.44 -0.13 1.69 3.08 -1.97 -3.06 114.38 113.56 1tqe h ARG 15 Ca 0.07 0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1tqe h ARG 15 Cb 0.74 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1tqe h ARG 15 CO -0.00 -0.13 -0.19 -0.97 -1.07 0.00 0.00 179.97 177.61 1tqe h ASN 16 N -0.98 0.20 0.49 7.04 -0.73 -1.67 -1.95 115.58 117.98 1tqe h ASN 16 Ca -0.05 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1tqe h ASN 16 Cb 0.50 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1tqe h ASN 16 CO 0.08 0.41 0.00 -1.14 -0.37 0.00 0.00 177.43 176.40 1tqe n ARG 17 N -4.23 0.24 -0.08 6.67 0.63 0.70 -1.90 116.66 118.69 1tqe n ARG 17 Ca -0.01 0.09 -0.08 0.00 -0.92 0.00 0.00 57.85 56.93 1tqe n ARG 17 Cb 0.31 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.60 1tqe n ARG 17 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1tqe n GLN 18 N -1.34 1.36 -0.10 -0.14 -0.06 -0.79 -3.52 117.38 112.80 1tqe n GLN 18 Ca 0.09 0.01 -0.12 0.00 -2.00 0.00 0.00 57.00 54.97 1tqe n GLN 18 Cb 0.19 -1.40 -0.04 0.00 -4.06 0.00 0.00 30.24 24.94 1tqe n GLN 18 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1tqe h VAL 19 N 0.00 1.30 -0.35 1.69 2.07 -1.26 -3.02 116.25 116.69 1tqe h VAL 19 Ca -0.42 -1.32 -0.08 0.00 0.82 0.00 0.00 66.70 65.69 1tqe h VAL 19 Cb 1.92 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1tqe h VAL 19 CO 0.01 0.42 -0.09 0.74 0.02 0.00 0.00 177.57 178.67 1tqe h THR 20 N 0.39 1.28 -0.26 2.57 2.02 -1.59 -1.86 112.91 115.46 1tqe h THR 20 Ca 0.06 -1.16 0.05 0.00 0.77 0.00 0.00 66.41 66.13 1tqe h THR 20 Cb 0.74 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 1tqe h THR 20 CO 0.05 0.38 -0.07 0.15 0.37 0.00 0.00 175.52 176.40 1tqe h PHE 21 N 0.46 -0.16 -0.17 3.16 3.57 -1.60 0.49 116.94 122.70 1tqe h PHE 21 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1tqe h PHE 21 Cb 0.60 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1tqe h PHE 21 CO 0.05 -0.12 0.08 1.15 -2.23 0.00 0.00 178.31 177.24 1tqe h THR 22 N -0.01 1.12 0.53 4.41 2.02 -1.47 0.13 112.91 119.65 1tqe h THR 22 Ca 0.13 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1tqe h THR 22 Cb 0.20 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1tqe h THR 22 CO -0.28 0.11 -0.40 0.11 0.37 0.00 0.00 175.52 175.43 1tqe h LYS 23 N 0.15 -0.88 0.57 6.66 1.57 -0.92 -2.91 116.57 120.80 1tqe h LYS 23 Ca 0.06 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1tqe h LYS 23 Cb 0.11 0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.62 1tqe h LYS 23 CO -0.01 -0.59 -0.27 0.00 -0.57 0.00 0.00 179.45 178.01 1tqe h ARG 24 N -0.92 -0.74 -0.87 3.15 3.08 -0.92 -2.59 114.38 114.59 1tqe h ARG 24 Ca -0.06 0.05 0.34 0.00 0.07 0.00 0.00 59.98 60.38 1tqe h ARG 24 Cb 0.77 0.17 -0.16 0.00 0.08 0.00 0.00 29.97 30.83 1tqe h ARG 24 CO 0.01 -0.45 0.37 1.17 -1.07 0.00 0.00 179.97 179.99 1tqe n LYS 25 N -5.38 -0.06 0.10 0.04 4.81 0.03 0.11 118.16 117.82 1tqe n LYS 25 Ca -0.12 1.22 -0.13 0.00 -0.87 0.00 0.00 58.31 58.40 1tqe n LYS 25 Cb 0.33 -2.13 -0.08 0.00 0.02 0.00 0.00 35.03 33.17 1tqe n LYS 25 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1tqe h PHE 26 N 0.00 -0.24 -0.85 5.64 3.57 -1.26 -2.06 116.94 121.74 1tqe h PHE 26 Ca 0.69 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.29 1tqe h PHE 26 Cb 1.75 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.50 1tqe h PHE 26 CO -0.11 0.08 0.48 0.78 -2.23 0.00 0.00 178.31 177.31 1tqe h GLY 27 N -0.57 1.34 0.57 2.40 0.00 0.12 0.34 103.07 107.27 1tqe h GLY 27 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1tqe h GLY 27 CO 0.04 0.10 -0.45 -2.00 0.00 0.00 0.00 176.54 174.23 1tqe h LEU 28 N 0.77 -1.22 -1.57 3.11 5.85 -0.43 0.26 115.31 122.10 1tqe h LEU 28 Ca 0.42 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.34 1tqe h LEU 28 Cb 0.44 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1tqe h LEU 28 CO -0.27 -0.61 0.44 0.24 -0.34 0.00 0.00 178.44 177.90 1tqe h MET 29 N -0.92 0.46 0.28 1.25 2.86 -0.62 0.32 114.93 118.56 1tqe h MET 29 Ca -0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1tqe h MET 29 Cb 0.80 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1tqe h MET 29 CO -0.06 0.31 -0.13 -0.22 1.06 0.00 0.00 176.91 177.87 1tqe h LYS 30 N 0.48 -0.36 -0.54 1.72 3.64 0.77 0.63 116.57 122.91 1tqe h LYS 30 Ca 0.31 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1tqe h LYS 30 Cb 0.57 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1tqe h LYS 30 CO -0.10 -0.22 0.35 0.87 -2.27 0.00 0.00 179.45 178.09 1tqe h LYS 31 N -0.41 0.69 -0.02 1.90 1.57 0.12 0.89 116.57 121.32 1tqe h LYS 31 Ca -0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1tqe h LYS 31 Cb 0.31 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1tqe h LYS 31 CO 0.06 0.46 -0.25 0.00 -0.57 0.00 0.00 179.45 179.15 1tqe h ALA 32 N 1.20 -0.68 -0.94 3.86 0.00 -0.70 0.38 119.26 122.38 1tqe h ALA 32 Ca 0.20 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.31 1tqe h ALA 32 Cb -0.07 0.74 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 1tqe h ALA 32 CO -0.05 -0.76 -0.04 -0.92 0.00 0.00 0.00 179.25 177.48 1tqe h TYR 33 N -0.29 -0.16 0.87 0.00 3.20 -0.40 0.30 116.97 120.48 1tqe h TYR 33 Ca 0.01 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1tqe h TYR 33 Cb 0.32 0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.82 1tqe h TYR 33 CO -0.46 -0.39 -0.42 0.93 -1.64 0.00 0.00 178.16 176.18 1tqe h GLU 34 N 0.03 -1.13 -1.02 1.82 5.08 0.75 -0.86 114.58 119.25 1tqe h GLU 34 Ca 0.53 0.08 0.27 0.00 -1.00 0.00 0.00 59.36 59.24 1tqe h GLU 34 Cb 1.02 0.26 -0.13 0.00 0.50 0.00 0.00 28.75 30.40 1tqe h GLU 34 CO -0.89 -0.75 0.60 1.25 -1.00 0.00 0.00 179.01 178.23 1tqe h LEU 35 N -1.23 0.61 0.26 1.33 5.85 0.13 0.11 115.31 122.37 1tqe h LEU 35 Ca -0.12 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1tqe h LEU 35 Cb 0.90 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1tqe h LEU 35 CO 0.20 0.05 -0.23 -1.28 -0.34 0.00 0.00 178.44 176.84 1tqe h SER 36 N 0.50 -0.61 0.10 1.25 0.87 0.11 -2.24 113.55 113.53 1tqe h SER 36 Ca 0.66 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1tqe h SER 36 Cb 1.37 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1tqe h SER 36 CO -0.48 -0.35 -0.05 0.58 -0.53 0.00 0.00 176.83 176.01 1tqe h VAL 37 N -0.51 1.13 -0.24 2.23 2.07 0.35 -1.27 116.25 120.02 1tqe h VAL 37 Ca -0.01 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1tqe h VAL 37 Cb 0.46 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 1tqe h VAL 37 CO -0.03 0.28 -0.51 -0.07 0.02 0.00 0.00 177.57 177.26 1tqe h LEU 38 N -0.74 -1.67 -2.68 2.57 3.38 -0.94 -2.56 115.31 112.68 1tqe h LEU 38 Ca -0.01 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1tqe h LEU 38 Cb 0.56 0.66 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1tqe h LEU 38 CO 0.02 -0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.13 1tqe n ASP 40 N 0.61 -4.72 -3.89 0.00 2.03 -0.76 -4.98 116.55 104.84 1tqe n ASP 40 Ca 0.20 -0.75 -0.09 0.00 0.52 0.00 0.00 54.79 54.66 1tqe n ASP 40 Cb 0.84 -1.52 -0.08 0.00 -0.72 0.00 0.00 41.12 39.64 1tqe n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tqe s GLU 42 N -3.06 4.00 -0.02 0.00 2.02 -1.26 -4.50 118.70 115.89 1tqe s GLU 42 Ca -0.01 0.51 -0.02 0.00 0.02 0.00 0.00 54.97 55.47 1tqe s GLU 42 Cb 0.01 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.05 1tqe s GLU 42 CO -0.07 0.65 0.06 0.42 0.02 0.00 0.00 175.26 176.34 1tqe s ILE 43 N -1.13 0.00 -0.05 -1.63 1.01 -1.26 -5.00 121.20 113.14 1tqe s ILE 43 Ca 0.27 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.97 1tqe s ILE 43 Cb -0.17 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 1tqe s ILE 43 CO 0.16 -0.01 -0.24 0.00 0.00 0.00 0.00 174.94 174.85 1tqe s ALA 44 N 0.01 2.21 -0.14 9.38 0.00 -1.26 -1.48 121.76 130.48 1tqe s ALA 44 Ca -0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1tqe s ALA 44 Cb -0.00 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1tqe s ALA 44 CO 0.00 0.46 -0.05 -1.17 0.00 0.00 0.00 175.76 175.00 1tqe s LEU 45 N -0.34 1.34 -0.22 0.00 2.96 -0.65 -4.98 118.68 116.78 1tqe s LEU 45 Ca 0.02 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1tqe s LEU 45 Cb -0.12 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.74 1tqe s LEU 45 CO 0.02 -0.17 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.18 1tqe s ILE 46 N 1.70 3.06 0.05 6.68 1.01 -1.26 -1.26 121.20 131.19 1tqe s ILE 46 Ca 0.03 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.10 1tqe s ILE 46 Cb -0.14 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1tqe s ILE 46 CO -0.08 0.41 -0.18 -0.63 0.00 0.00 0.00 174.94 174.46 1tqe s ILE 47 N 1.42 2.78 -0.04 2.92 1.01 0.13 -5.01 121.20 124.41 1tqe s ILE 47 Ca 0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 60.65 59.46 1tqe s ILE 47 Cb -0.14 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1tqe s ILE 47 CO -0.05 0.31 0.02 -0.36 0.00 0.00 0.00 174.94 174.86 1tqe s PHE 48 N -0.95 0.31 0.68 3.97 2.99 -1.26 -1.18 117.98 122.54 1tqe s PHE 48 Ca 0.15 0.05 0.02 0.00 0.00 0.00 0.00 56.93 57.16 1tqe s PHE 48 Cb -0.10 -0.53 0.12 0.00 0.00 0.00 0.00 43.02 42.50 1tqe s PHE 48 CO 0.06 -0.20 0.93 0.54 -0.00 0.00 0.00 175.22 176.55 1tqe s ASN 49 N 1.70 4.56 0.18 1.36 2.20 -1.07 -4.89 114.94 118.98 1tqe s ASN 49 Ca -0.00 -0.52 -0.20 0.00 -0.94 0.00 0.00 52.86 51.20 1tqe s ASN 49 Cb -0.13 0.09 0.11 0.00 -2.00 0.00 0.00 41.25 39.32 1tqe s ASN 49 CO -0.03 -1.71 1.61 0.28 -2.94 0.00 0.00 177.10 174.31 1tqe h SER 50 N -0.32 -0.92 0.00 3.54 0.02 -2.02 0.89 113.55 114.75 1tqe h SER 50 Ca -0.34 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1tqe h SER 50 Cb 1.27 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1tqe h SER 50 CO 0.40 -0.28 0.00 0.00 -1.14 0.00 0.00 176.83 175.81 1tqe n ALA 51 N -3.00 1.77 -1.76 3.77 0.00 -1.26 -4.76 120.51 115.27 1tqe n ALA 51 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 1tqe n ALA 51 Cb 0.33 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1tqe n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tqe n ASN 52 N -0.34 -4.92 -4.70 0.00 4.13 0.31 -4.92 115.26 104.82 1tqe n ASN 52 Ca 0.00 0.35 -0.42 0.00 1.68 0.00 0.00 54.58 56.19 1tqe n ASN 52 Cb 0.02 -4.33 -0.03 0.00 -1.54 0.00 0.00 39.78 33.90 1tqe n ASN 52 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1tqe s ARG 53 N -3.93 4.39 0.10 3.52 3.52 -1.25 -4.75 118.95 120.55 1tqe s ARG 53 Ca 0.00 1.70 -0.25 0.00 -0.13 0.00 0.00 55.73 57.05 1tqe s ARG 53 Cb 0.00 -3.48 -0.06 0.00 -1.56 0.00 0.00 34.95 29.85 1tqe s ARG 53 CO 0.00 -0.36 0.78 -1.17 -0.81 0.00 0.00 175.30 173.75 1tqe s LEU 54 N 1.73 4.51 -0.00 -0.88 2.96 -1.26 -2.60 118.68 123.14 1tqe s LEU 54 Ca 0.57 1.55 0.02 0.00 -0.22 0.00 0.00 54.13 56.05 1tqe s LEU 54 Cb -0.26 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 1tqe s LEU 54 CO 0.25 0.09 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.94 1tqe s PHE 55 N -0.49 0.60 0.21 5.38 0.40 -0.32 -5.01 117.98 118.74 1tqe s PHE 55 Ca 0.38 -0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.44 1tqe s PHE 55 Cb -0.22 -0.39 0.00 0.00 0.51 0.00 0.00 43.02 42.93 1tqe s PHE 55 CO 0.25 -0.01 0.43 1.14 0.70 0.00 0.00 175.22 177.73 1tqe s GLN 56 N -0.24 1.38 0.07 0.44 -2.07 -1.26 0.20 119.66 118.19 1tqe s GLN 56 Ca 0.02 -1.11 -0.08 0.00 -1.82 0.00 0.00 55.36 52.37 1tqe s GLN 56 Cb -0.03 0.46 -0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1tqe s GLN 56 CO -0.00 -0.56 0.17 -0.47 -1.32 0.00 0.00 175.29 173.11 1tqe s TYR 57 N -3.96 0.17 -0.25 9.60 5.04 -0.39 -4.98 117.35 122.58 1tqe s TYR 57 Ca 0.17 -0.56 -0.15 0.00 -2.44 0.00 0.00 57.07 54.09 1tqe s TYR 57 Cb 0.00 -0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.30 1tqe s TYR 57 CO 0.03 -0.50 0.62 0.00 -1.34 0.00 0.00 175.55 174.36 1tqe s ALA 58 N -3.54 -1.64 0.40 3.97 0.00 -1.26 -1.64 121.76 118.04 1tqe s ALA 58 Ca 0.03 2.14 0.09 0.00 0.00 0.00 0.00 51.96 54.22 1tqe s ALA 58 Cb 0.04 -1.26 0.88 0.00 0.00 0.00 0.00 23.12 22.77 1tqe s ALA 58 CO -0.09 -0.34 2.00 0.66 0.00 0.00 0.00 175.76 177.98 1tqe h SER 59 N 6.81 0.50 0.00 0.00 4.64 -1.64 -3.40 113.55 120.47 1tqe h SER 59 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1tqe h SER 59 Cb 1.21 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1tqe h SER 59 CO 0.19 0.33 -0.18 0.35 -0.87 0.00 0.00 176.83 176.64 1tqe n THR 60 N -4.47 0.23 -3.65 2.95 -2.24 -1.26 -5.03 114.28 100.80 1tqe n THR 60 Ca 0.08 0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.88 1tqe n THR 60 Cb 0.23 -0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 67.50 1tqe n THR 60 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1tqe s ASP 61 N -5.18 -0.90 0.53 3.42 -4.77 -1.26 -5.00 116.67 103.50 1tqe s ASP 61 Ca 0.00 1.42 0.28 0.00 -3.30 0.00 0.00 52.55 50.95 1tqe s ASP 61 Cb 0.00 1.57 1.42 0.00 -1.09 0.00 0.00 42.92 44.82 1tqe s ASP 61 CO 0.00 -0.23 1.93 -0.03 0.70 0.00 0.00 175.17 177.54 1tqe h MET 62 N 7.38 0.02 0.48 2.11 1.85 -1.89 -2.11 114.93 122.78 1tqe h MET 62 Ca -0.26 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.80 1tqe h MET 62 Cb 1.18 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 1tqe h MET 62 CO 0.16 0.02 -0.34 -0.44 -0.40 0.00 0.00 176.91 175.90 1tqe h ASP 63 N 0.02 -0.88 -0.21 1.39 5.19 -1.99 -1.59 116.42 118.35 1tqe h ASP 63 Ca 0.36 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.86 1tqe h ASP 63 Cb 1.39 0.27 -0.07 0.00 0.18 0.00 0.00 39.33 41.10 1tqe h ASP 63 CO -0.01 -0.50 -0.51 0.03 -3.12 0.00 0.00 179.24 175.13 1tqe h ARG 64 N -0.78 -0.47 0.41 3.56 3.08 -1.81 -1.12 114.38 117.25 1tqe h ARG 64 Ca -0.06 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1tqe h ARG 64 Cb 0.64 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1tqe h ARG 64 CO 0.04 -0.31 -0.51 0.28 -1.07 0.00 0.00 179.97 178.40 1tqe h VAL 65 N -0.49 0.00 -0.91 2.04 2.07 -1.52 0.95 116.25 118.40 1tqe h VAL 65 Ca 0.04 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.73 1tqe h VAL 65 Cb 0.61 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1tqe h VAL 65 CO -0.46 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.65 1tqe h LEU 66 N -0.94 0.59 -0.12 2.57 3.38 -1.24 0.58 115.31 120.14 1tqe h LEU 66 Ca -0.05 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1tqe h LEU 66 Cb 0.84 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1tqe h LEU 66 CO -0.11 0.27 -0.24 0.25 0.09 0.00 0.00 178.44 178.70 1tqe h LEU 67 N 0.61 0.42 -0.14 1.67 5.85 -0.48 -2.56 115.31 120.69 1tqe h LEU 67 Ca 0.47 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1tqe h LEU 67 Cb 0.88 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1tqe h LEU 67 CO -0.22 0.90 0.00 1.17 -0.34 0.00 0.00 178.44 179.95 1tqe n LYS 68 N -4.47 0.02 0.00 1.25 0.00 0.32 -0.03 118.16 115.26 1tqe n LYS 68 Ca -0.07 0.38 0.12 0.00 0.00 0.00 0.00 58.31 58.74 1tqe n LYS 68 Cb 0.44 -1.56 0.18 0.00 0.00 0.00 0.00 35.03 34.09 1tqe n LYS 68 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1tqe n TYR 69 N -1.60 0.00 0.02 5.64 9.36 0.18 -3.73 117.16 127.04 1tqe n TYR 69 Ca 0.02 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.17 1tqe n TYR 69 Cb 0.11 -0.03 -0.12 0.00 -0.63 0.00 0.00 39.34 38.67 1tqe n TYR 69 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1tqe h THR 70 N 2.74 1.23 0.00 2.97 2.02 -0.30 -3.37 112.91 118.20 1tqe h THR 70 Ca 0.00 -2.99 0.00 0.00 0.77 0.00 0.00 66.41 64.19 1tqe h THR 70 Cb 0.73 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1tqe h THR 70 CO 0.00 0.70 0.00 1.21 0.37 0.00 0.00 175.52 177.80 1tqe n GLU 71 N -3.19 0.00 -2.42 6.66 2.13 -1.23 -4.52 120.64 118.08 1tqe n GLU 71 Ca -0.08 0.30 -0.43 0.00 0.66 0.00 0.00 57.16 57.62 1tqe n GLU 71 Cb 0.98 -0.80 0.00 0.00 0.27 0.00 0.00 31.44 31.89 1tqe n GLU 71 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1tqe n TYR 72 N -1.48 4.28 1.82 4.31 4.01 -1.24 -4.74 117.16 124.11 1tqe n TYR 72 Ca 0.00 -2.96 0.15 0.00 -0.16 0.00 0.00 57.90 54.93 1tqe n TYR 72 Cb 0.00 -2.47 0.81 0.00 -0.31 0.00 0.00 39.34 37.37 1tqe n TYR 72 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1tqe n SER 73 N 6.89 0.47 -4.49 7.72 2.88 -1.26 -4.74 113.62 121.09 1tqe n SER 73 Ca 0.47 -1.12 -0.43 0.00 -1.33 0.00 0.00 58.87 56.46 1tqe n SER 73 Cb 0.43 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 1tqe n SER 73 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1tqe s GLU 74 N -2.03 3.23 -0.67 -1.46 2.02 -1.26 -4.99 118.70 113.54 1tqe s GLU 74 Ca 0.44 -0.52 -0.26 0.00 0.02 0.00 0.00 54.97 54.65 1tqe s GLU 74 Cb 0.22 -4.12 -0.01 0.00 0.10 0.00 0.00 34.13 30.32 1tqe s GLU 74 CO 0.37 -1.57 1.68 -1.25 0.02 0.00 0.00 175.26 174.50 1tqe s PRO 75 N 3.86 2.81 0.00 0.39 0.04 -1.26 -4.86 135.00 135.98 1tqe s PRO 75 Ca 0.26 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1tqe s PRO 75 Cb -0.15 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1tqe s PRO 75 CO 0.15 -2.57 0.71 1.58 0.04 0.00 0.00 177.00 176.91 1tqe n HIS 76 N 11.70 0.00 -3.40 0.56 -0.00 -1.26 -4.26 115.22 118.56 1tqe n HIS 76 Ca 0.16 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.36 1tqe n HIS 76 Cb 0.51 -0.23 -0.04 0.00 -0.12 0.00 0.00 29.99 30.11 1tqe n HIS 76 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1tqe s GLU 77 N -2.43 0.27 0.06 1.57 2.12 -1.26 -5.16 118.70 113.86 1tqe s GLU 77 Ca 0.00 0.65 0.06 0.00 0.36 0.00 0.00 54.97 56.04 1tqe s GLU 77 Cb 0.00 0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.73 1tqe s GLU 77 CO 0.00 -0.09 -0.17 -1.12 -0.54 0.00 0.00 175.26 173.35 1tqe s SER 78 N 2.30 1.97 0.01 -1.70 0.01 -1.26 -5.15 113.70 109.87 1tqe s SER 78 Ca -0.03 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.67 1tqe s SER 78 Cb -0.05 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1tqe s SER 78 CO -0.17 0.04 0.03 -0.13 0.41 0.00 0.00 173.24 173.42 1tqe s ARG 79 N -1.38 0.36 0.42 12.44 0.52 -1.26 -5.09 118.95 124.96 1tqe s ARG 79 Ca 0.03 -0.50 0.07 0.00 -0.52 0.00 0.00 55.73 54.81 1tqe s ARG 79 Cb -0.09 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 1tqe s ARG 79 CO 0.02 -0.07 0.20 0.99 0.02 0.00 0.00 175.30 176.46 1tqe s THR 80 N -1.36 2.25 0.49 0.02 2.01 -1.26 -4.99 115.64 112.79 1tqe s THR 80 Ca -0.15 -1.67 0.20 0.00 0.31 0.00 0.00 61.69 60.38 1tqe s THR 80 Cb -0.09 -2.92 0.36 0.00 0.01 0.00 0.00 72.50 69.87 1tqe s THR 80 CO -0.00 0.00 1.99 0.78 -0.69 0.00 0.00 174.62 176.70 1tqe h ASN 81 N 1.36 0.17 -0.06 3.53 2.35 -2.01 -2.73 115.58 118.17 1tqe h ASN 81 Ca -0.42 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.29 1tqe h ASN 81 Cb 1.26 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1tqe h ASN 81 CO 0.69 0.09 -0.12 0.74 -1.65 0.00 0.00 177.43 177.18 1tqe h THR 82 N 0.18 1.41 -0.42 2.81 2.02 -1.98 -1.18 112.91 115.76 1tqe h THR 82 Ca 0.26 -1.42 0.06 0.00 0.77 0.00 0.00 66.41 66.08 1tqe h THR 82 Cb 0.79 2.20 -0.09 0.00 -1.74 0.00 0.00 68.15 69.32 1tqe h THR 82 CO -0.04 0.39 -0.53 0.44 0.37 0.00 0.00 175.52 176.15 1tqe h ASP 83 N -0.30 -1.77 0.27 4.18 3.45 -1.87 1.85 116.42 122.23 1tqe h ASP 83 Ca 0.00 0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1tqe h ASP 83 Cb 0.70 0.74 -0.04 0.00 -0.56 0.00 0.00 39.33 40.17 1tqe h ASP 83 CO 0.03 -0.39 -0.52 0.40 -1.57 0.00 0.00 179.24 177.18 1tqe h ILE 84 N -0.38 0.01 -0.66 0.35 2.04 -1.59 1.57 117.51 118.86 1tqe h ILE 84 Ca 0.09 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.07 1tqe h ILE 84 Cb 0.59 0.01 -0.12 0.00 -0.74 0.00 0.00 36.82 36.56 1tqe h ILE 84 CO -0.60 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.19 1tqe h LEU 85 N -0.85 -1.00 0.60 1.44 3.38 -0.20 0.11 115.31 118.78 1tqe h LEU 85 Ca -0.03 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1tqe h LEU 85 Cb 0.81 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1tqe h LEU 85 CO -0.20 -0.28 -0.49 -0.08 0.09 0.00 0.00 178.44 177.47 1tqe h GLU 86 N -0.10 -1.03 0.00 1.13 4.81 0.38 -2.35 114.58 117.42 1tqe h GLU 86 Ca 0.28 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1tqe h GLU 86 Cb 0.55 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1tqe h GLU 86 CO -0.72 -0.68 0.01 2.41 -0.73 0.00 0.00 179.01 179.30 1tqe n THR 87 N -5.58 1.09 -0.08 0.32 -1.04 0.53 -1.96 114.28 107.55 1tqe n THR 87 Ca -0.13 0.72 -0.15 0.00 -2.04 0.00 0.00 64.05 62.46 1tqe n THR 87 Cb 0.47 -1.72 -0.04 0.00 -1.82 0.00 0.00 70.33 67.22 1tqe n THR 87 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1tqe h LEU 88 N 0.00 0.98 0.00 -4.42 5.85 -0.24 -3.20 115.31 114.28 1tqe h LEU 88 Ca 0.00 -0.52 -0.09 0.00 0.84 0.00 0.00 57.88 58.11 1tqe h LEU 88 Cb 0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1tqe h LEU 88 CO 0.00 1.32 -0.64 0.11 -0.34 0.00 0.00 178.44 178.88 1tqe h LYS 89 N 0.69 0.00 -1.28 1.25 6.56 -1.44 -3.36 116.57 118.99 1tqe h LYS 89 Ca 0.02 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 60.03 1tqe h LYS 89 Cb 1.13 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.69 1tqe h LYS 89 CO 0.12 0.58 0.85 0.54 -2.06 0.00 0.00 179.45 179.48 1tqe n ARG 90 N -4.57 -0.02 0.00 3.15 1.74 -1.02 -5.16 116.66 110.77 1tqe n ARG 90 Ca -0.17 1.02 0.02 0.00 -0.77 0.00 0.00 57.85 57.96 1tqe n ARG 90 Cb 0.43 -2.09 0.02 0.00 -1.02 0.00 0.00 32.46 29.80 1tqe n ARG 90 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65