#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 -3.59 1.61 1.74 -1.26 -4.57 116.66 110.59 1tqe n ARG 3 Ca 0.00 0.37 -0.16 0.00 -0.77 0.00 0.00 57.85 57.30 1tqe n ARG 3 Cb 0.00 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.73 0.92 0.18 5.56 2.20 -1.26 -5.14 119.74 119.46 1tqe s LYS 4 Ca 0.00 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 55.84 1tqe s LYS 4 Cb 0.00 0.44 -0.08 0.00 -1.51 0.00 0.00 37.83 36.68 1tqe s LYS 4 CO 0.00 -0.22 1.15 0.21 -0.36 0.00 0.00 175.35 176.13 1tqe s LYS 5 N -0.53 4.54 -0.07 4.03 2.20 -1.26 -5.04 119.74 123.62 1tqe s LYS 5 Ca -0.06 1.80 0.04 0.00 -0.36 0.00 0.00 55.97 57.39 1tqe s LYS 5 Cb -0.02 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1tqe s LYS 5 CO 0.06 -0.01 -0.19 0.96 -0.36 0.00 0.00 175.35 175.81 1tqe s ILE 6 N -0.15 1.60 0.93 5.43 -4.36 -1.26 -5.13 121.20 118.25 1tqe s ILE 6 Ca 0.51 -0.78 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 1tqe s ILE 6 Cb -0.31 -1.39 0.15 0.00 1.25 0.00 0.00 42.46 42.16 1tqe s ILE 6 CO 0.36 0.46 1.09 -1.10 0.24 0.00 0.00 174.94 175.99 1tqe s GLN 7 N 0.26 1.00 -0.47 0.37 -1.52 -1.26 -4.98 119.66 113.06 1tqe s GLN 7 Ca -0.11 0.81 -0.11 0.00 -1.95 0.00 0.00 55.36 54.00 1tqe s GLN 7 Cb -0.15 -1.78 0.11 0.00 -0.22 0.00 0.00 33.01 30.97 1tqe s GLN 7 CO 0.05 -2.42 0.36 0.42 -0.25 0.00 0.00 175.29 173.45 1tqe s ILE 8 N -2.90 4.47 -0.22 1.08 1.09 -1.26 -5.01 121.20 118.46 1tqe s ILE 8 Ca 0.64 -1.59 -0.27 0.00 -1.10 0.00 0.00 60.65 58.33 1tqe s ILE 8 Cb -0.19 -3.86 0.09 0.00 -1.06 0.00 0.00 42.46 37.44 1tqe s ILE 8 CO 0.58 -0.71 0.81 -0.94 -0.10 0.00 0.00 174.94 174.57 1tqe s SER 9 N 2.70 -0.63 -0.14 3.58 1.04 -1.26 -5.10 113.70 113.90 1tqe s SER 9 Ca 0.04 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.43 1tqe s SER 9 Cb -0.26 1.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 1tqe s SER 9 CO 0.01 -0.31 0.57 -1.14 0.98 0.00 0.00 173.24 173.35 1tqe n ARG 10 N 2.03 0.00 -1.76 4.02 0.63 -1.26 -4.73 116.66 115.58 1tqe n ARG 10 Ca -0.14 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.37 1tqe n ARG 10 Cb 0.56 -0.39 -0.03 0.00 0.45 0.00 0.00 32.46 33.05 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 1.61 2.75 -0.05 5.15 1.01 -1.26 -4.92 121.20 125.48 1tqe s ILE 11 Ca 0.32 0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.98 1tqe s ILE 11 Cb -0.39 -3.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 1tqe s ILE 11 CO 0.17 -0.00 0.61 -0.07 0.00 0.00 0.00 174.94 175.65 1tqe h LEU 12 N 8.95 -0.30 -8.64 2.97 3.38 -1.99 -3.43 115.31 116.25 1tqe h LEU 12 Ca -0.46 -0.12 -0.58 0.00 0.09 0.00 0.00 57.88 56.81 1tqe h LEU 12 Cb 1.22 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1tqe h LEU 12 CO 0.94 0.19 1.52 -0.67 0.09 0.00 0.00 178.44 180.51 1tqe n ASP 13 N -5.01 2.35 0.26 -0.43 2.03 -1.26 -4.78 116.55 109.70 1tqe n ASP 13 Ca -0.06 0.10 0.17 0.00 0.52 0.00 0.00 54.79 55.53 1tqe n ASP 13 Cb 0.20 -1.40 0.83 0.00 -0.72 0.00 0.00 41.12 40.04 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 14.92 0.00 0.31 -0.67 4.15 -1.97 0.18 115.11 132.03 1tqe h GLN 14 Ca -0.28 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 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 1.07 0.00 -0.15 0.00 -1.93 0.00 0.00 178.83 177.82 1tqe h ARG 15 N 0.00 -0.40 -0.04 1.69 3.08 -1.97 -3.09 114.38 113.65 1tqe h ARG 15 Ca 0.06 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1tqe h ARG 15 Cb 0.71 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1tqe h ARG 15 CO -0.00 -0.10 -0.23 -0.97 -1.07 0.00 0.00 179.97 177.60 1tqe h ASN 16 N -0.97 0.06 0.52 7.04 -0.73 -1.65 -1.80 115.58 118.04 1tqe h ASN 16 Ca -0.04 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1tqe h ASN 16 Cb 0.50 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1tqe h ASN 16 CO 0.07 0.30 0.00 -1.14 -0.37 0.00 0.00 177.43 176.29 1tqe n ARG 17 N -4.24 0.24 -0.07 6.67 0.63 0.52 -1.82 116.66 118.58 1tqe n ARG 17 Ca -0.02 0.08 -0.07 0.00 -0.92 0.00 0.00 57.85 56.92 1tqe n ARG 17 Cb 0.30 -1.50 -0.11 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 1.65 -0.08 -0.14 -0.06 -0.74 -3.52 117.38 113.15 1tqe n GLN 18 Ca 0.09 -0.01 -0.14 0.00 -2.00 0.00 0.00 57.00 54.95 1tqe n GLN 18 Cb 0.20 -1.37 -0.05 0.00 -4.06 0.00 0.00 30.24 24.96 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 1.31 -0.36 1.69 2.07 -1.27 -3.06 116.25 116.64 1tqe h VAL 19 Ca -0.39 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 65.54 1tqe h VAL 19 Cb 1.89 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1tqe h VAL 19 CO 0.02 0.47 -0.13 0.74 0.02 0.00 0.00 177.57 178.69 1tqe h THR 20 N 0.37 1.28 -0.35 2.57 2.02 -1.56 -2.19 112.91 115.05 1tqe h THR 20 Ca 0.03 -1.23 0.06 0.00 0.77 0.00 0.00 66.41 66.05 1tqe h THR 20 Cb 0.89 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 68.57 1tqe h THR 20 CO 0.07 0.40 0.01 0.15 0.37 0.00 0.00 175.52 176.53 1tqe h PHE 21 N 0.51 0.00 -0.09 3.16 3.57 -1.60 -0.45 116.94 122.04 1tqe h PHE 21 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1tqe h PHE 21 Cb 0.65 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1tqe h PHE 21 CO 0.05 -0.05 0.04 1.15 -2.23 0.00 0.00 178.31 177.27 1tqe h THR 22 N 0.11 1.14 0.55 4.41 2.02 -1.50 -0.15 112.91 119.49 1tqe h THR 22 Ca 0.17 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1tqe h THR 22 Cb 0.23 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1tqe h THR 22 CO -0.28 0.12 -0.44 0.11 0.37 0.00 0.00 175.52 175.40 1tqe h LYS 23 N 0.00 -0.94 0.46 6.66 1.57 -1.05 -2.87 116.57 120.40 1tqe h LYS 23 Ca 0.03 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1tqe h LYS 23 Cb 0.16 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1tqe h LYS 23 CO -0.00 -0.63 -0.22 0.00 -0.57 0.00 0.00 179.45 178.03 1tqe h ARG 24 N -0.97 -0.60 -0.86 3.15 3.08 -1.12 -2.57 114.38 114.49 1tqe h ARG 24 Ca -0.06 0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.30 1tqe h ARG 24 Cb 0.83 0.14 -0.16 0.00 0.08 0.00 0.00 29.97 30.85 1tqe h ARG 24 CO -0.00 -0.35 0.15 1.17 -1.07 0.00 0.00 179.97 179.87 1tqe n LYS 25 N -5.32 -0.06 0.14 0.04 4.81 -0.07 0.11 118.16 117.80 1tqe n LYS 25 Ca -0.11 1.25 -0.14 0.00 -0.87 0.00 0.00 58.31 58.44 1tqe n LYS 25 Cb 0.28 -2.06 -0.08 0.00 0.02 0.00 0.00 35.03 33.18 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 -0.31 -0.90 5.64 3.57 -1.24 -1.51 116.94 122.19 1tqe h PHE 26 Ca 0.58 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.20 1tqe h PHE 26 Cb 1.33 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 40.09 1tqe h PHE 26 CO -0.31 -0.06 0.52 0.78 -2.23 0.00 0.00 178.31 177.02 1tqe h GLY 27 N -0.53 1.45 0.71 2.40 0.00 0.11 0.32 103.07 107.54 1tqe h GLY 27 Ca -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1tqe h GLY 27 CO 0.06 0.09 -0.47 -2.00 0.00 0.00 0.00 176.54 174.21 1tqe h LEU 28 N 0.81 -1.23 -1.53 3.11 5.85 -0.32 0.91 115.31 122.91 1tqe h LEU 28 Ca 0.46 0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.40 1tqe h LEU 28 Cb 0.51 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1tqe h LEU 28 CO -0.29 -0.69 0.50 0.24 -0.34 0.00 0.00 178.44 177.86 1tqe h MET 29 N -1.08 0.46 0.52 1.25 2.86 -0.54 -0.06 114.93 118.33 1tqe h MET 29 Ca -0.08 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1tqe h MET 29 Cb 0.89 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.45 1tqe h MET 29 CO 0.04 0.30 -0.25 -0.22 1.06 0.00 0.00 176.91 177.84 1tqe h LYS 30 N 0.47 -0.67 -0.73 1.72 3.64 0.79 0.66 116.57 122.46 1tqe h LYS 30 Ca 0.37 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 1tqe h LYS 30 Cb 0.77 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 1tqe h LYS 30 CO -0.13 -0.44 0.44 0.87 -2.27 0.00 0.00 179.45 177.93 1tqe h LYS 31 N -0.71 0.81 0.02 1.90 1.57 0.32 0.62 116.57 121.10 1tqe h LYS 31 Ca -0.07 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1tqe h LYS 31 Cb 0.54 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1tqe h LYS 31 CO 0.12 0.54 -0.21 0.00 -0.57 0.00 0.00 179.45 179.33 1tqe h ALA 32 N 1.34 -0.69 -0.96 3.86 0.00 -0.71 0.47 119.26 122.57 1tqe h ALA 32 Ca 0.31 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.43 1tqe h ALA 32 Cb 0.10 0.66 -0.18 0.00 0.00 0.00 0.00 17.79 18.37 1tqe h ALA 32 CO -0.15 -0.75 0.00 -0.92 0.00 0.00 0.00 179.25 177.44 1tqe h TYR 33 N -0.27 -0.09 0.86 0.00 3.20 -0.22 0.29 116.97 120.73 1tqe h TYR 33 Ca 0.00 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1tqe h TYR 33 Cb 0.28 0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.76 1tqe h TYR 33 CO -0.40 -0.41 -0.41 0.93 -1.64 0.00 0.00 178.16 176.23 1tqe h GLU 34 N 0.02 -1.11 -0.99 1.82 5.08 0.91 -1.19 114.58 119.11 1tqe h GLU 34 Ca 0.57 0.08 0.26 0.00 -1.00 0.00 0.00 59.36 59.26 1tqe h GLU 34 Cb 1.12 0.25 -0.13 0.00 0.50 0.00 0.00 28.75 30.50 1tqe h GLU 34 CO -0.90 -0.74 0.57 1.25 -1.00 0.00 0.00 179.01 178.19 1tqe h LEU 35 N -1.21 0.61 0.15 1.33 5.85 0.19 0.21 115.31 122.44 1tqe h LEU 35 Ca -0.12 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1tqe h LEU 35 Cb 0.89 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1tqe h LEU 35 CO 0.19 0.05 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.82 1tqe h SER 36 N 0.52 -0.69 0.08 1.25 0.87 0.02 -2.12 113.55 113.48 1tqe h SER 36 Ca 0.65 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.28 1tqe h SER 36 Cb 1.28 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1tqe h SER 36 CO -0.50 -0.34 -0.04 0.58 -0.53 0.00 0.00 176.83 175.99 1tqe h VAL 37 N -0.47 1.15 -0.30 2.23 2.07 0.11 -0.81 116.25 120.23 1tqe h VAL 37 Ca 0.02 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.20 1tqe h VAL 37 Cb 0.48 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1tqe h VAL 37 CO -0.12 0.31 -0.45 -0.07 0.02 0.00 0.00 177.57 177.26 1tqe h LEU 38 N -0.80 -1.51 -2.39 2.57 3.38 -0.72 -2.41 115.31 113.43 1tqe h LEU 38 Ca -0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1tqe h LEU 38 Cb 0.59 0.61 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1tqe h LEU 38 CO 0.02 -0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.21 1tqe n ASP 40 N 0.66 -5.03 -3.91 0.00 2.03 -0.63 -4.99 116.55 104.68 1tqe n ASP 40 Ca 0.18 -0.81 -0.09 0.00 0.52 0.00 0.00 54.79 54.59 1tqe n ASP 40 Cb 0.71 -1.76 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 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 -2.98 4.05 -0.02 0.00 2.02 -1.26 -4.49 118.70 116.01 1tqe s GLU 42 Ca -0.02 0.57 -0.02 0.00 0.02 0.00 0.00 54.97 55.52 1tqe s GLU 42 Cb 0.01 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 31.09 1tqe s GLU 42 CO -0.06 0.61 0.07 0.42 0.02 0.00 0.00 175.26 176.32 1tqe s ILE 43 N -1.20 0.01 -0.03 -1.63 1.01 -1.26 -5.00 121.20 113.10 1tqe s ILE 43 Ca 0.30 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.97 1tqe s ILE 43 Cb -0.17 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1tqe s ILE 43 CO 0.17 -0.03 -0.25 0.00 0.00 0.00 0.00 174.94 174.84 1tqe s ALA 44 N -0.05 2.11 -0.12 9.38 0.00 -1.26 -1.22 121.76 130.61 1tqe s ALA 44 Ca -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 1tqe s ALA 44 Cb -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1tqe s ALA 44 CO 0.00 0.48 -0.06 -1.17 0.00 0.00 0.00 175.76 175.01 1tqe s LEU 45 N -0.43 1.17 -0.21 0.00 2.96 -0.59 -4.98 118.68 116.59 1tqe s LEU 45 Ca 0.05 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1tqe s LEU 45 Cb -0.11 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.80 1tqe s LEU 45 CO 0.01 -0.15 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.18 1tqe s ILE 46 N 1.74 3.01 0.07 6.68 1.01 -1.26 -1.33 121.20 131.12 1tqe s ILE 46 Ca 0.04 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.14 1tqe s ILE 46 Cb -0.13 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1tqe s ILE 46 CO -0.08 0.44 -0.22 -0.63 0.00 0.00 0.00 174.94 174.45 1tqe s ILE 47 N 1.42 2.50 -0.04 2.92 1.01 0.13 -5.00 121.20 124.14 1tqe s ILE 47 Ca 0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 60.65 59.30 1tqe s ILE 47 Cb -0.14 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.30 1tqe s ILE 47 CO -0.06 0.27 0.03 -0.36 0.00 0.00 0.00 174.94 174.82 1tqe s PHE 48 N -0.94 0.25 0.68 3.97 2.99 -1.26 -0.85 117.98 122.82 1tqe s PHE 48 Ca 0.14 0.10 0.02 0.00 0.00 0.00 0.00 56.93 57.19 1tqe s PHE 48 Cb -0.10 -0.52 0.11 0.00 0.00 0.00 0.00 43.02 42.51 1tqe s PHE 48 CO 0.05 -0.20 0.93 0.54 -0.00 0.00 0.00 175.22 176.54 1tqe s ASN 49 N 1.79 4.57 0.18 1.36 2.20 -1.10 -4.90 114.94 119.04 1tqe s ASN 49 Ca 0.01 -0.49 -0.19 0.00 -0.94 0.00 0.00 52.86 51.24 1tqe s ASN 49 Cb -0.12 0.05 0.11 0.00 -2.00 0.00 0.00 41.25 39.29 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 -0.85 0.00 3.54 0.02 -2.02 0.75 113.55 114.67 1tqe h SER 50 Ca -0.35 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1tqe h SER 50 Cb 1.27 0.44 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1tqe h SER 50 CO 0.40 -0.27 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 1tqe n ALA 51 N -2.98 1.82 -1.82 3.77 0.00 -1.26 -4.76 120.51 115.27 1tqe n ALA 51 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1tqe n ALA 51 Cb 0.32 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.38 -5.14 -4.70 0.00 4.13 0.26 -4.93 115.26 104.50 1tqe n ASN 52 Ca 0.00 0.33 -0.42 0.00 1.68 0.00 0.00 54.58 56.17 1tqe n ASN 52 Cb 0.01 -4.49 -0.03 0.00 -1.54 0.00 0.00 39.78 33.73 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 -4.05 4.41 0.06 3.52 3.52 -1.25 -4.76 118.95 120.39 1tqe s ARG 53 Ca 0.00 1.67 -0.25 0.00 -0.13 0.00 0.00 55.73 57.03 1tqe s ARG 53 Cb 0.00 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 29.86 1tqe s ARG 53 CO 0.00 -0.33 0.75 -1.17 -0.81 0.00 0.00 175.30 173.74 1tqe s LEU 54 N 1.66 4.47 0.01 -0.88 2.96 -1.26 -2.69 118.68 122.95 1tqe s LEU 54 Ca 0.56 1.45 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 1tqe s LEU 54 Cb -0.26 -3.21 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1tqe s LEU 54 CO 0.25 0.05 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.88 1tqe s PHE 55 N -0.24 0.83 0.22 5.38 0.40 -0.03 -5.01 117.98 119.53 1tqe s PHE 55 Ca 0.37 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.35 1tqe s PHE 55 Cb -0.21 -0.52 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1tqe s PHE 55 CO 0.23 -0.01 0.47 1.14 0.70 0.00 0.00 175.22 177.74 1tqe s GLN 56 N -0.51 1.45 0.08 0.44 -2.07 -1.26 0.22 119.66 118.01 1tqe s GLN 56 Ca 0.01 -1.14 -0.09 0.00 -1.82 0.00 0.00 55.36 52.33 1tqe s GLN 56 Cb -0.05 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1tqe s GLN 56 CO 0.00 -0.60 0.20 -0.47 -1.32 0.00 0.00 175.29 173.10 1tqe s TYR 57 N -3.97 0.13 -0.27 9.60 5.04 -0.44 -4.98 117.35 122.45 1tqe s TYR 57 Ca 0.18 -0.53 -0.17 0.00 -2.44 0.00 0.00 57.07 54.11 1tqe s TYR 57 Cb -0.00 -0.04 0.08 0.00 0.35 0.00 0.00 41.96 42.34 1tqe s TYR 57 CO 0.05 -0.53 0.67 0.00 -1.34 0.00 0.00 175.55 174.39 1tqe s ALA 58 N -3.69 -1.77 0.36 3.97 0.00 -1.26 -1.54 121.76 117.82 1tqe s ALA 58 Ca 0.04 2.24 0.04 0.00 0.00 0.00 0.00 51.96 54.28 1tqe s ALA 58 Cb 0.04 -1.32 0.69 0.00 0.00 0.00 0.00 23.12 22.53 1tqe s ALA 58 CO -0.10 -0.36 1.99 0.66 0.00 0.00 0.00 175.76 177.95 1tqe h SER 59 N 6.53 0.69 0.00 0.00 4.64 -1.54 -3.41 113.55 120.46 1tqe h SER 59 Ca -0.30 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1tqe h SER 59 Cb 1.21 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1tqe h SER 59 CO 0.15 0.48 0.00 0.35 -0.87 0.00 0.00 176.83 176.94 1tqe n THR 60 N -4.46 0.38 -4.05 2.95 -2.24 -1.26 -5.03 114.28 100.57 1tqe n THR 60 Ca 0.08 0.13 -0.18 0.00 -2.27 0.00 0.00 64.05 61.81 1tqe n THR 60 Cb 0.12 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.38 1tqe n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1tqe s ASP 61 N -5.16 0.62 0.16 3.42 -1.08 -1.26 -5.04 116.67 108.33 1tqe s ASP 61 Ca 0.00 -0.07 0.22 0.00 -0.52 0.00 0.00 52.55 52.18 1tqe s ASP 61 Cb 0.00 -0.29 0.89 0.00 -1.46 0.00 0.00 42.92 42.06 1tqe s ASP 61 CO 0.00 -0.06 1.69 0.80 0.52 0.00 0.00 175.17 178.12 1tqe n MET 62 N 3.94 0.14 -0.10 4.34 0.00 -1.26 -3.28 117.12 120.90 1tqe n MET 62 Ca -0.25 0.30 -0.17 0.00 -0.00 0.00 0.00 57.70 57.58 1tqe n MET 62 Cb 0.51 -1.73 -0.07 0.00 0.00 0.00 0.00 33.22 31.93 1tqe n MET 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1tqe n ASP 63 N -1.99 1.87 -0.31 6.12 8.00 -1.26 -3.33 116.55 125.64 1tqe n ASP 63 Ca 0.04 0.45 0.17 0.00 0.71 0.00 0.00 54.79 56.16 1tqe n ASP 63 Cb 0.27 -0.88 0.35 0.00 -0.02 0.00 0.00 41.12 40.83 1tqe n ASP 63 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1tqe h ARG 64 N -1.00 0.14 0.54 -1.24 3.08 -2.00 0.63 114.38 114.53 1tqe h ARG 64 Ca -0.28 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 1tqe h ARG 64 Cb 1.11 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.13 1tqe h ARG 64 CO -0.17 0.09 -0.26 0.28 -1.07 0.00 0.00 179.97 178.85 1tqe h VAL 65 N 0.15 0.37 -0.82 2.04 2.07 -1.72 -2.37 116.25 115.96 1tqe h VAL 65 Ca 0.62 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.88 1tqe h VAL 65 Cb 1.35 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1tqe h VAL 65 CO -0.73 0.04 0.53 -0.07 0.02 0.00 0.00 177.57 177.37 1tqe h LEU 66 N -0.96 0.75 0.01 2.57 4.07 -0.97 -1.76 115.31 119.02 1tqe h LEU 66 Ca -0.07 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1tqe h LEU 66 Cb 0.63 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1tqe h LEU 66 CO 0.12 0.47 -0.00 0.25 -1.08 0.00 0.00 178.44 178.20 1tqe h LEU 67 N 0.85 -0.01 -1.52 1.67 5.85 0.23 -2.08 115.31 120.29 1tqe h LEU 67 Ca 0.36 0.00 0.45 0.00 0.84 0.00 0.00 57.88 59.54 1tqe h LEU 67 Cb 0.31 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 1tqe h LEU 67 CO -0.14 -0.01 1.07 0.29 -0.34 0.00 0.00 178.44 179.32 1tqe n LYS 68 N -2.04 -0.01 0.09 1.25 4.76 -0.90 0.23 118.16 121.55 1tqe n LYS 68 Ca -0.00 0.91 -0.13 0.00 -2.87 0.00 0.00 58.31 56.23 1tqe n LYS 68 Cb 0.00 -2.04 -0.08 0.00 -1.84 0.00 0.00 35.03 31.07 1tqe n LYS 68 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1tqe h TYR 69 N 0.00 -0.24 -1.13 2.13 3.20 -0.76 -3.19 116.97 116.98 1tqe h TYR 69 Ca 0.76 -0.01 0.32 0.00 3.14 0.00 0.00 58.73 62.94 1tqe h TYR 69 Cb 2.93 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 41.22 1tqe h TYR 69 CO -0.00 0.12 0.79 1.79 -1.64 0.00 0.00 178.16 179.22 1tqe h THR 70 N -0.66 0.44 -2.50 1.81 1.35 0.35 -1.91 112.91 111.79 1tqe h THR 70 Ca -0.03 -0.04 -0.74 0.00 -0.55 0.00 0.00 66.41 65.06 1tqe h THR 70 Cb 0.47 0.32 -0.32 0.00 -1.73 0.00 0.00 68.15 66.88 1tqe h THR 70 CO 0.04 0.02 0.39 -1.84 -0.25 0.00 0.00 175.52 173.89 1tqe n GLU 71 N -4.33 4.22 -3.36 4.72 0.28 -1.16 -4.86 120.64 116.15 1tqe n GLU 71 Ca 0.25 -4.66 -0.21 0.00 -0.16 0.00 0.00 57.16 52.38 1tqe n GLU 71 Cb 1.13 -2.41 -0.09 0.00 1.43 0.00 0.00 31.44 31.50 1tqe n GLU 71 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1tqe s TYR 72 N -3.29 0.12 -0.01 -1.84 5.04 -0.72 -4.96 117.35 111.69 1tqe s TYR 72 Ca 0.38 -1.27 -0.19 0.00 -2.44 0.00 0.00 57.07 53.54 1tqe s TYR 72 Cb 0.14 -0.58 -0.33 0.00 0.35 0.00 0.00 41.96 41.54 1tqe s TYR 72 CO -0.02 -0.93 0.94 0.66 -1.34 0.00 0.00 175.55 174.87 1tqe h SER 73 N 6.71 0.64 -1.81 4.32 4.64 -1.89 -3.47 113.55 122.70 1tqe h SER 73 Ca 0.09 -0.94 -0.66 0.00 -0.47 0.00 0.00 61.79 59.81 1tqe h SER 73 Cb 1.01 -0.21 0.08 0.00 -0.31 0.00 0.00 62.40 62.98 1tqe h SER 73 CO 0.23 1.53 0.15 -0.62 -0.87 0.00 0.00 176.83 177.25 1tqe n GLU 74 N -3.95 0.95 -0.62 4.77 4.71 -1.26 -4.89 120.64 120.35 1tqe n GLU 74 Ca -0.15 0.34 -0.31 0.00 -0.01 0.00 0.00 57.16 57.02 1tqe n GLU 74 Cb 0.95 -1.77 0.19 0.00 -1.01 0.00 0.00 31.44 29.80 1tqe n GLU 74 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1tqe n PRO 75 N 1.54 -1.71 -3.80 3.49 -0.04 -1.26 -5.03 135.00 128.19 1tqe n PRO 75 Ca 0.15 -0.47 -0.03 0.00 -0.04 0.00 0.00 63.50 63.11 1tqe n PRO 75 Cb 0.24 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1tqe n PRO 75 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1tqe s HIS 76 N -2.31 -0.03 0.22 0.54 -3.43 -1.26 -5.13 115.29 103.88 1tqe s HIS 76 Ca 0.60 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.26 1tqe s HIS 76 Cb -0.17 0.66 -0.09 0.00 -1.43 0.00 0.00 32.58 31.54 1tqe s HIS 76 CO 0.66 -0.82 1.38 -2.00 -2.00 0.00 0.00 174.74 171.95 1tqe s GLU 77 N -2.70 4.33 -0.28 -0.38 2.12 -1.26 -4.99 118.70 115.54 1tqe s GLU 77 Ca 0.17 2.17 -0.01 0.00 0.36 0.00 0.00 54.97 57.66 1tqe s GLU 77 Cb -0.01 -3.16 0.13 0.00 0.26 0.00 0.00 34.13 31.35 1tqe s GLU 77 CO 0.03 -0.34 0.30 -1.12 -0.54 0.00 0.00 175.26 173.59 1tqe s SER 78 N 0.38 1.48 0.63 -1.70 0.01 -1.26 -5.15 113.70 108.09 1tqe s SER 78 Ca 0.58 -0.61 0.06 0.00 1.31 0.00 0.00 55.95 57.29 1tqe s SER 78 Cb -0.39 0.57 0.10 0.00 0.21 0.00 0.00 66.02 66.51 1tqe s SER 78 CO 0.40 -0.37 0.87 -0.13 0.41 0.00 0.00 173.24 174.41 1tqe s ARG 79 N 2.38 2.06 0.28 12.44 0.52 -1.26 -5.09 118.95 130.28 1tqe s ARG 79 Ca 0.09 -1.49 -0.17 0.00 -0.52 0.00 0.00 55.73 53.64 1tqe s ARG 79 Cb -0.14 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.80 1tqe s ARG 79 CO -0.29 -1.09 0.63 0.99 0.02 0.00 0.00 175.30 175.56 1tqe s THR 80 N -2.84 0.00 0.30 0.02 2.01 -1.26 -4.97 115.64 108.90 1tqe s THR 80 Ca 0.64 -1.17 0.10 0.00 0.31 0.00 0.00 61.69 61.57 1tqe s THR 80 Cb -0.05 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1tqe s THR 80 CO 0.41 0.00 1.69 0.78 -0.69 0.00 0.00 174.62 176.81 1tqe h ASN 81 N 2.10 0.04 0.38 3.53 2.35 -2.01 0.31 115.58 122.27 1tqe h ASN 81 Ca -0.23 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.42 1tqe h ASN 81 Cb 1.25 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 1tqe h ASN 81 CO 0.29 0.55 -0.38 0.74 -1.65 0.00 0.00 177.43 176.99 1tqe h THR 82 N 0.03 1.27 0.09 2.81 2.02 -2.00 -0.76 112.91 116.37 1tqe h THR 82 Ca -0.00 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 1tqe h THR 82 Cb 0.93 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1tqe h THR 82 CO 0.07 0.37 -0.04 -0.78 0.37 0.00 0.00 175.52 175.51 1tqe h ASP 83 N 0.00 -0.10 -0.95 4.18 3.58 -1.67 -3.35 116.42 118.12 1tqe h ASP 83 Ca -0.00 -0.03 0.22 0.00 0.42 0.00 0.00 57.03 57.64 1tqe h ASP 83 Cb 0.67 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.67 1tqe h ASP 83 CO 0.05 0.40 0.62 0.40 -2.88 0.00 0.00 179.24 177.84 1tqe h ILE 84 N -1.03 0.64 -0.93 2.25 1.08 -0.42 -0.85 117.51 118.24 1tqe h ILE 84 Ca -0.01 -0.14 0.07 0.00 -0.39 0.00 0.00 64.86 64.38 1tqe h ILE 84 Cb 0.13 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 34.00 1tqe h ILE 84 CO 0.02 0.08 0.60 0.25 -0.69 0.00 0.00 178.15 178.41 1tqe h LEU 85 N 0.41 0.93 0.00 1.44 5.85 -1.26 -2.81 115.31 119.88 1tqe h LEU 85 Ca 0.51 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.18 1tqe h LEU 85 Cb 1.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1tqe h LEU 85 CO -0.21 0.59 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.86 1tqe h GLU 86 N 1.05 0.01 0.00 1.25 5.08 -1.31 -2.84 114.58 117.82 1tqe h GLU 86 Ca 0.40 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1tqe h GLU 86 Cb 0.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1tqe h GLU 86 CO -0.15 1.01 0.18 2.41 -1.00 0.00 0.00 179.01 181.46 1tqe n THR 87 N -4.56 0.79 -0.02 1.13 -1.04 -0.90 0.34 114.28 110.04 1tqe n THR 87 Ca -0.15 0.38 0.02 0.00 -2.04 0.00 0.00 64.05 62.27 1tqe n THR 87 Cb 0.53 -1.38 -0.07 0.00 -1.82 0.00 0.00 70.33 67.59 1tqe n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1tqe n LEU 88 N -1.14 0.00 0.21 -4.42 4.77 -1.07 -4.43 117.00 110.93 1tqe n LEU 88 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1tqe n LEU 88 Cb 0.18 0.06 0.76 0.00 -2.33 0.00 0.00 43.42 42.10 1tqe n LEU 88 CO 0.00 0.06 1.12 0.11 -1.33 0.00 0.00 177.39 177.35 1tqe h LYS 89 N 0.00 0.00 0.00 3.23 1.57 0.14 -3.31 116.57 118.20 1tqe h LYS 89 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1tqe h LYS 89 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1tqe h LYS 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1tqe n ARG 90 N -4.16 0.00 0.00 3.15 1.74 -1.21 -5.12 116.66 111.05 1tqe n ARG 90 Ca 0.00 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1tqe n ARG 90 Cb 0.23 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1tqe n ARG 90 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65