#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 0.35 -0.16 0.00 -0.77 0.00 0.00 57.85 57.27 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 0.92 0.19 5.56 2.20 -1.26 -5.14 119.74 119.53 1tqe s LYS 4 Ca 0.00 0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.82 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 1.16 0.21 -0.36 0.00 0.00 175.35 176.14 1tqe s LYS 5 N -0.56 4.53 -0.06 4.03 2.20 -1.26 -5.04 119.74 123.57 1tqe s LYS 5 Ca -0.07 1.83 0.04 0.00 -0.36 0.00 0.00 55.97 57.41 1tqe s LYS 5 Cb -0.02 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1tqe s LYS 5 CO 0.06 -0.02 -0.17 0.96 -0.36 0.00 0.00 175.35 175.82 1tqe s ILE 6 N -0.23 1.51 0.99 5.43 -4.36 -1.26 -5.13 121.20 118.14 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 -1.32 0.18 0.00 1.25 0.00 0.00 42.46 42.25 1tqe s ILE 6 CO 0.37 0.44 1.09 -1.10 0.24 0.00 0.00 174.94 175.97 1tqe s GLN 7 N 0.31 0.51 -0.45 0.37 -1.52 -1.26 -4.98 119.66 112.65 1tqe s GLN 7 Ca -0.11 0.69 -0.08 0.00 -1.95 0.00 0.00 55.36 53.91 1tqe s GLN 7 Cb -0.15 -1.73 0.11 0.00 -0.22 0.00 0.00 33.01 31.02 1tqe s GLN 7 CO 0.04 -2.72 0.30 0.42 -0.25 0.00 0.00 175.29 173.09 1tqe s ILE 8 N -2.88 4.09 -0.18 1.08 1.09 -1.26 -5.01 121.20 118.13 1tqe s ILE 8 Ca 0.65 -1.73 -0.28 0.00 -1.10 0.00 0.00 60.65 58.20 1tqe s ILE 8 Cb -0.19 -3.66 0.08 0.00 -1.06 0.00 0.00 42.46 37.63 1tqe s ILE 8 CO 0.58 -0.70 0.77 -0.94 -0.10 0.00 0.00 174.94 174.56 1tqe s SER 9 N 2.43 -0.64 -0.18 3.58 1.04 -1.26 -5.10 113.70 113.56 1tqe s SER 9 Ca 0.05 1.02 -0.16 0.00 0.48 0.00 0.00 55.95 57.34 1tqe s SER 9 Cb -0.25 0.96 -0.07 0.00 0.10 0.00 0.00 66.02 66.76 1tqe s SER 9 CO -0.01 -0.37 0.76 -1.14 0.98 0.00 0.00 173.24 173.46 1tqe n ARG 10 N 1.82 0.00 -1.81 4.02 0.63 -1.26 -4.74 116.66 115.32 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 -0.55 -0.03 0.00 0.45 0.00 0.00 32.46 32.90 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 2.07 2.94 -0.04 5.15 1.01 -1.26 -4.92 121.20 126.15 1tqe s ILE 11 Ca 0.43 0.27 -0.15 0.00 0.00 0.00 0.00 60.65 61.20 1tqe s ILE 11 Cb -0.55 -3.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 1tqe s ILE 11 CO 0.25 -0.01 0.63 -0.07 0.00 0.00 0.00 174.94 175.74 1tqe h LEU 12 N 9.26 -0.38 -8.65 2.97 3.38 -1.99 -3.43 115.31 116.47 1tqe h LEU 12 Ca -0.45 -0.05 -0.59 0.00 0.09 0.00 0.00 57.88 56.88 1tqe h LEU 12 Cb 1.21 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 2.39 0.24 -0.43 2.03 -1.26 -4.78 116.55 109.66 1tqe n ASP 13 Ca -0.07 0.12 0.18 0.00 0.52 0.00 0.00 54.79 55.55 1tqe n ASP 13 Cb 0.21 -1.40 0.82 0.00 -0.72 0.00 0.00 41.12 40.03 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 14.82 0.00 0.37 -0.67 4.15 -1.97 0.22 115.11 132.03 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 -0.18 0.00 -1.93 0.00 0.00 178.83 177.78 1tqe h ARG 15 N 0.00 -0.48 -0.13 1.69 3.08 -1.97 -3.03 114.38 113.55 1tqe h ARG 15 Ca 0.08 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1tqe h ARG 15 Cb 0.74 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1tqe h ARG 15 CO -0.00 -0.19 -0.16 -0.97 -1.07 0.00 0.00 179.97 177.58 1tqe h ASN 16 N -1.01 0.20 0.52 7.04 -0.73 -1.68 -1.87 115.58 118.04 1tqe h ASN 16 Ca -0.05 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1tqe h ASN 16 Cb 0.51 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1tqe h ASN 16 CO 0.08 0.37 0.00 -1.14 -0.37 0.00 0.00 177.43 176.38 1tqe n ARG 17 N -4.26 0.21 -0.08 6.67 0.63 0.69 -1.86 116.66 118.66 1tqe n ARG 17 Ca -0.01 0.10 -0.08 0.00 -0.92 0.00 0.00 57.85 56.93 1tqe n ARG 17 Cb 0.28 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.57 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 -1.35 1.33 -0.09 -0.14 -0.06 -0.76 -3.51 117.38 112.79 1tqe n GLN 18 Ca 0.09 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.96 1tqe n GLN 18 Cb 0.20 -1.41 -0.04 0.00 -4.06 0.00 0.00 30.24 24.93 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 -0.31 1.69 2.07 -1.26 -3.04 116.25 116.70 1tqe h VAL 19 Ca -0.43 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 1tqe h VAL 19 Cb 1.96 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1tqe h VAL 19 CO 0.02 0.45 -0.08 0.74 0.02 0.00 0.00 177.57 178.72 1tqe h THR 20 N 0.40 1.28 -0.30 2.57 2.02 -1.57 -1.93 112.91 115.38 1tqe h THR 20 Ca 0.05 -1.13 0.06 0.00 0.77 0.00 0.00 66.41 66.16 1tqe h THR 20 Cb 0.82 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 1tqe h THR 20 CO 0.06 0.36 -0.07 0.15 0.37 0.00 0.00 175.52 176.40 1tqe h PHE 21 N 0.38 -0.14 -0.17 3.16 3.57 -1.60 0.70 116.94 122.84 1tqe h PHE 21 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1tqe h PHE 21 Cb 0.57 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 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 1.13 0.56 4.41 2.02 -1.48 0.13 112.91 119.68 1tqe h THR 22 Ca 0.14 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1tqe h THR 22 Cb 0.22 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1tqe h THR 22 CO -0.30 0.12 -0.40 0.11 0.37 0.00 0.00 175.52 175.41 1tqe h LYS 23 N 0.15 -0.90 0.67 6.66 1.57 -0.92 -2.93 116.57 120.87 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 0.12 0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1tqe h LYS 23 CO -0.01 -0.60 -0.32 0.00 -0.57 0.00 0.00 179.45 177.95 1tqe h ARG 24 N -0.93 -0.86 -0.84 3.15 3.08 -0.88 -2.52 114.38 114.57 1tqe h ARG 24 Ca -0.06 0.06 0.35 0.00 0.07 0.00 0.00 59.98 60.39 1tqe h ARG 24 Cb 0.78 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 30.87 1tqe h ARG 24 CO 0.02 -0.55 0.43 1.17 -1.07 0.00 0.00 179.97 179.97 1tqe n LYS 25 N -5.45 -0.05 0.09 0.04 4.81 0.03 0.14 118.16 117.77 1tqe n LYS 25 Ca -0.13 1.17 -0.13 0.00 -0.87 0.00 0.00 58.31 58.35 1tqe n LYS 25 Cb 0.37 -2.08 -0.08 0.00 0.02 0.00 0.00 35.03 33.26 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 -0.23 -0.81 5.64 3.57 -1.27 -2.12 116.94 121.72 1tqe h PHE 26 Ca 0.70 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.31 1tqe h PHE 26 Cb 1.84 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.58 1tqe h PHE 26 CO -0.03 0.12 0.44 0.78 -2.23 0.00 0.00 178.31 177.39 1tqe h GLY 27 N -0.61 1.27 0.50 2.40 0.00 0.16 0.33 103.07 107.11 1tqe h GLY 27 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1tqe h GLY 27 CO 0.04 0.07 -0.50 -2.00 0.00 0.00 0.00 176.54 174.16 1tqe h LEU 28 N 0.71 -1.37 -1.57 3.11 5.85 -0.44 0.27 115.31 121.86 1tqe h LEU 28 Ca 0.41 0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.37 1tqe h LEU 28 Cb 0.44 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1tqe h LEU 28 CO -0.28 -0.65 0.48 0.24 -0.34 0.00 0.00 178.44 177.89 1tqe h MET 29 N -0.97 0.44 0.22 1.25 2.86 -0.65 0.46 114.93 118.54 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 0.86 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1tqe h MET 29 CO -0.08 0.29 -0.11 -0.22 1.06 0.00 0.00 176.91 177.85 1tqe h LYS 30 N 0.45 -0.29 -0.51 1.72 3.64 0.81 0.80 116.57 123.19 1tqe h LYS 30 Ca 0.35 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1tqe h LYS 30 Cb 0.73 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1tqe h LYS 30 CO -0.11 -0.16 0.33 0.87 -2.27 0.00 0.00 179.45 178.11 1tqe h LYS 31 N -0.34 0.66 -0.01 1.90 1.57 0.36 0.76 116.57 121.46 1tqe h LYS 31 Ca -0.03 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1tqe h LYS 31 Cb 0.26 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1tqe h LYS 31 CO 0.05 0.43 -0.29 0.00 -0.57 0.00 0.00 179.45 179.08 1tqe h ALA 32 N 1.20 -0.73 -0.92 3.86 0.00 -0.67 0.36 119.26 122.36 1tqe h ALA 32 Ca 0.19 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.29 1tqe h ALA 32 Cb -0.06 0.76 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 1tqe h ALA 32 CO -0.05 -0.82 -0.03 -0.92 0.00 0.00 0.00 179.25 177.43 1tqe h TYR 33 N -0.35 -0.13 0.81 0.00 3.20 -0.36 0.23 116.97 120.36 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 0.38 0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.87 1tqe h TYR 33 CO -0.46 -0.38 -0.39 0.93 -1.64 0.00 0.00 178.16 176.23 1tqe h GLU 34 N 0.04 -1.04 -1.02 1.82 5.08 0.76 -0.83 114.58 119.39 1tqe h GLU 34 Ca 0.53 0.07 0.26 0.00 -1.00 0.00 0.00 59.36 59.22 1tqe h GLU 34 Cb 1.00 0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.37 1tqe h GLU 34 CO -0.87 -0.69 0.62 1.25 -1.00 0.00 0.00 179.01 178.32 1tqe h LEU 35 N -1.15 0.60 0.32 1.33 5.85 0.99 0.16 115.31 123.42 1tqe h LEU 35 Ca -0.11 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1tqe h LEU 35 Cb 0.84 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1tqe h LEU 35 CO 0.18 0.07 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.82 1tqe h SER 36 N 0.51 -0.66 0.09 1.25 0.87 -0.02 -2.25 113.55 113.34 1tqe h SER 36 Ca 0.65 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 61.25 1tqe h SER 36 Cb 1.36 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1tqe h SER 36 CO -0.45 -0.38 -0.04 0.58 -0.53 0.00 0.00 176.83 176.01 1tqe h VAL 37 N -0.58 1.15 -0.25 2.23 2.07 0.37 -1.28 116.25 119.96 1tqe h VAL 37 Ca -0.02 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.33 1tqe h VAL 37 Cb 0.51 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 1tqe h VAL 37 CO -0.01 0.28 -0.53 -0.07 0.02 0.00 0.00 177.57 177.26 1tqe h LEU 38 N -0.71 -1.72 -2.77 2.57 3.38 -0.84 -2.60 115.31 112.62 1tqe h LEU 38 Ca -0.01 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1tqe h LEU 38 Cb 0.55 0.69 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1tqe h LEU 38 CO 0.02 -0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.12 1tqe n ASP 40 N 0.66 -4.82 -3.93 0.00 2.03 -0.76 -4.99 116.55 104.74 1tqe n ASP 40 Ca 0.21 -0.88 -0.09 0.00 0.52 0.00 0.00 54.79 54.55 1tqe n ASP 40 Cb 0.87 -1.58 -0.09 0.00 -0.72 0.00 0.00 41.12 39.60 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 -3.09 3.99 -0.02 0.00 2.02 -1.26 -4.50 118.70 115.85 1tqe s GLU 42 Ca -0.01 0.50 -0.02 0.00 0.02 0.00 0.00 54.97 55.46 1tqe s GLU 42 Cb 0.02 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1tqe s GLU 42 CO -0.07 0.65 0.05 0.42 0.02 0.00 0.00 175.26 176.33 1tqe s ILE 43 N -1.14 0.01 -0.03 -1.63 1.01 -1.26 -5.00 121.20 113.15 1tqe s ILE 43 Ca 0.27 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.95 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 -0.02 -0.26 0.00 0.00 0.00 0.00 174.94 174.82 1tqe s ALA 44 N -0.05 2.17 -0.14 9.38 0.00 -1.26 -1.43 121.76 130.43 1tqe s ALA 44 Ca -0.01 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1tqe s ALA 44 Cb -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1tqe s ALA 44 CO 0.00 0.49 -0.03 -1.17 0.00 0.00 0.00 175.76 175.05 1tqe s LEU 45 N -0.45 1.20 -0.23 0.00 2.96 -0.65 -4.99 118.68 116.52 1tqe s LEU 45 Ca 0.05 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1tqe s LEU 45 Cb -0.11 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.86 1tqe s LEU 45 CO 0.01 -0.20 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.15 1tqe s ILE 46 N 1.77 3.11 0.06 6.68 1.01 -1.26 -1.27 121.20 131.30 1tqe s ILE 46 Ca 0.02 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1tqe s ILE 46 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1tqe s ILE 46 CO -0.07 0.36 -0.17 -0.63 0.00 0.00 0.00 174.94 174.43 1tqe s ILE 47 N 1.42 2.88 -0.04 2.92 1.01 0.13 -5.01 121.20 124.51 1tqe s ILE 47 Ca 0.04 -1.23 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 1tqe s ILE 47 Cb -0.15 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1tqe s ILE 47 CO -0.05 0.28 0.03 -0.36 0.00 0.00 0.00 174.94 174.84 1tqe s PHE 48 N -0.99 0.28 0.68 3.97 2.99 -1.26 -1.19 117.98 122.47 1tqe s PHE 48 Ca 0.16 0.07 0.02 0.00 0.00 0.00 0.00 56.93 57.18 1tqe s PHE 48 Cb -0.11 -0.52 0.12 0.00 0.00 0.00 0.00 43.02 42.51 1tqe s PHE 48 CO 0.07 -0.20 0.94 0.54 -0.00 0.00 0.00 175.22 176.57 1tqe s ASN 49 N 1.72 4.53 0.17 1.36 2.20 -1.07 -4.89 114.94 118.95 1tqe s ASN 49 Ca -0.00 -0.49 -0.21 0.00 -0.94 0.00 0.00 52.86 51.21 1tqe s ASN 49 Cb -0.13 0.07 0.08 0.00 -2.00 0.00 0.00 41.25 39.27 1tqe s ASN 49 CO -0.03 -1.73 1.61 0.28 -2.94 0.00 0.00 177.10 174.28 1tqe h SER 50 N -0.35 -0.98 0.00 3.54 0.02 -2.02 0.91 113.55 114.67 1tqe h SER 50 Ca -0.35 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1tqe h SER 50 Cb 1.27 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1tqe h SER 50 CO 0.40 -0.30 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 1tqe n ALA 51 N -2.99 1.75 -1.80 3.77 0.00 -1.26 -4.76 120.51 115.22 1tqe n ALA 51 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 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 -0.37 -4.97 -4.70 0.00 4.13 0.31 -4.92 115.26 104.75 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 -4.35 -0.03 0.00 -1.54 0.00 0.00 39.78 33.87 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 -4.01 4.41 0.07 3.52 3.52 -1.25 -4.75 118.95 120.45 1tqe s ARG 53 Ca 0.00 1.70 -0.24 0.00 -0.13 0.00 0.00 55.73 57.05 1tqe s ARG 53 Cb 0.00 -3.45 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1tqe s ARG 53 CO 0.00 -0.32 0.75 -1.17 -0.81 0.00 0.00 175.30 173.74 1tqe s LEU 54 N 1.57 4.48 -0.01 -0.88 2.96 -1.26 -2.59 118.68 122.96 1tqe s LEU 54 Ca 0.57 1.46 0.02 0.00 -0.22 0.00 0.00 54.13 55.97 1tqe s LEU 54 Cb -0.27 -3.21 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1tqe s LEU 54 CO 0.26 0.08 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.93 1tqe s PHE 55 N -0.35 0.69 0.20 5.38 0.40 -0.33 -5.02 117.98 118.95 1tqe s PHE 55 Ca 0.37 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.45 1tqe s PHE 55 Cb -0.21 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 42.88 1tqe s PHE 55 CO 0.23 -0.01 0.40 1.14 0.70 0.00 0.00 175.22 177.68 1tqe s GLN 56 N -0.17 1.34 0.07 0.44 -2.07 -1.26 0.22 119.66 118.22 1tqe s GLN 56 Ca 0.03 -1.14 -0.09 0.00 -1.82 0.00 0.00 55.36 52.34 1tqe s GLN 56 Cb -0.03 0.44 -0.00 0.00 -1.09 0.00 0.00 33.01 32.33 1tqe s GLN 56 CO -0.00 -0.53 0.18 -0.47 -1.32 0.00 0.00 175.29 173.15 1tqe s TYR 57 N -3.97 0.13 -0.25 9.60 5.04 -0.39 -4.98 117.35 122.53 1tqe s TYR 57 Ca 0.18 -0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.15 1tqe s TYR 57 Cb 0.01 -0.06 0.07 0.00 0.35 0.00 0.00 41.96 42.33 1tqe s TYR 57 CO 0.03 -0.50 0.63 0.00 -1.34 0.00 0.00 175.55 174.37 1tqe s ALA 58 N -3.44 -1.68 0.40 3.97 0.00 -1.26 -1.64 121.76 118.10 1tqe s ALA 58 Ca 0.02 2.18 0.08 0.00 0.00 0.00 0.00 51.96 54.24 1tqe s ALA 58 Cb 0.03 -1.29 0.86 0.00 0.00 0.00 0.00 23.12 22.72 1tqe s ALA 58 CO -0.09 -0.35 2.00 0.66 0.00 0.00 0.00 175.76 177.98 1tqe h SER 59 N 6.79 0.52 0.00 0.00 4.64 -1.62 -3.40 113.55 120.48 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 0.18 0.34 -0.13 0.35 -0.87 0.00 0.00 176.83 176.70 1tqe n THR 60 N -4.47 0.25 -3.67 2.95 -2.24 -1.26 -5.03 114.28 100.81 1tqe n THR 60 Ca 0.08 0.08 -0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1tqe n THR 60 Cb 0.21 -0.85 -0.09 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 -5.20 -0.72 0.34 3.42 -4.77 -1.26 -5.02 116.67 103.46 1tqe s ASP 61 Ca 0.00 1.22 0.08 0.00 -3.30 0.00 0.00 52.55 50.55 1tqe s ASP 61 Cb 0.00 1.21 0.80 0.00 -1.09 0.00 0.00 42.92 43.83 1tqe s ASP 61 CO 0.00 -0.22 1.85 -0.03 0.70 0.00 0.00 175.17 177.47 1tqe h MET 62 N 7.24 0.69 0.29 2.11 1.85 -1.90 -2.41 114.93 122.82 1tqe h MET 62 Ca -0.30 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 1tqe h MET 62 Cb 1.19 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 33.03 1tqe h MET 62 CO 0.21 0.46 -0.49 -0.44 -0.40 0.00 0.00 176.91 176.25 1tqe h ASP 63 N 0.71 -1.41 -0.33 1.39 5.19 -1.99 0.51 116.42 120.50 1tqe h ASP 63 Ca 0.48 0.13 0.04 0.00 -0.62 0.00 0.00 57.03 57.07 1tqe h ASP 63 Cb 0.77 0.50 -0.08 0.00 0.18 0.00 0.00 39.33 40.69 1tqe h ASP 63 CO -0.24 -0.59 -0.56 -0.09 -3.12 0.00 0.00 179.24 174.65 1tqe h ARG 64 N -0.84 -0.43 0.85 3.56 2.43 -1.86 -0.89 114.38 117.19 1tqe h ARG 64 Ca -0.02 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1tqe h ARG 64 Cb 0.79 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1tqe h ARG 64 CO -0.17 -0.29 -0.41 0.28 -1.51 0.00 0.00 179.97 177.87 1tqe h VAL 65 N -0.45 0.15 -1.04 0.20 2.07 -1.36 0.19 116.25 116.00 1tqe h VAL 65 Ca 0.06 -0.04 0.28 0.00 0.82 0.00 0.00 66.70 67.82 1tqe h VAL 65 Cb 0.62 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 1tqe h VAL 65 CO -0.55 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 177.61 1tqe h LEU 66 N -1.17 0.54 0.01 2.57 -0.00 -0.84 0.14 115.31 116.56 1tqe h LEU 66 Ca -0.12 0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1tqe h LEU 66 Cb 0.88 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1tqe h LEU 66 CO 0.19 0.05 -0.00 -0.07 -0.00 0.00 0.00 178.44 178.61 1tqe h LEU 67 N 0.45 -0.01 -1.08 1.67 3.38 -0.80 -2.86 115.31 116.06 1tqe h LEU 67 Ca 0.65 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1tqe h LEU 67 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1tqe h LEU 67 CO -0.42 0.46 0.00 1.17 0.09 0.00 0.00 178.44 179.74 1tqe n LYS 68 N -4.87 0.12 0.04 1.13 4.81 0.62 -0.53 118.16 119.49 1tqe n LYS 68 Ca -0.08 0.58 0.13 0.00 -0.87 0.00 0.00 58.31 58.06 1tqe n LYS 68 Cb 0.24 -1.86 0.39 0.00 0.02 0.00 0.00 35.03 33.81 1tqe n LYS 68 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1tqe n TYR 69 N -2.11 0.38 0.08 5.64 9.36 0.26 -3.58 117.16 127.19 1tqe n TYR 69 Ca -0.01 0.11 -0.09 0.00 3.32 0.00 0.00 57.90 61.23 1tqe n TYR 69 Cb 0.06 -0.60 -0.03 0.00 -0.63 0.00 0.00 39.34 38.13 1tqe n TYR 69 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1tqe h THR 70 N 0.00 1.51 0.00 2.97 1.35 -0.82 -3.36 112.91 114.55 1tqe h THR 70 Ca 0.00 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 1tqe h THR 70 Cb 0.62 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1tqe h THR 70 CO 0.00 0.79 0.00 -0.62 -0.25 0.00 0.00 175.52 175.44 1tqe n GLU 71 N -3.63 0.00 -1.56 4.72 4.71 -1.23 -4.50 120.64 119.15 1tqe n GLU 71 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 56.98 1tqe n GLU 71 Cb 0.83 -0.04 -0.08 0.00 -1.01 0.00 0.00 31.44 31.14 1tqe n GLU 71 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1tqe n TYR 72 N 0.00 1.09 0.81 -0.32 4.01 -1.24 -4.63 117.16 116.88 1tqe n TYR 72 Ca 0.00 -0.03 0.10 0.00 -0.16 0.00 0.00 57.90 57.81 1tqe n TYR 72 Cb 0.00 -2.53 0.09 0.00 -0.31 0.00 0.00 39.34 36.59 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 18.36 2.72 -4.51 7.72 2.88 -1.26 -4.67 113.62 134.86 1tqe n SER 73 Ca 0.47 -1.85 -0.42 0.00 -1.33 0.00 0.00 58.87 55.74 1tqe n SER 73 Cb 0.42 -0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.67 3.33 -0.32 -1.46 0.41 -1.26 -5.04 118.70 112.69 1tqe s GLU 74 Ca 0.24 -0.55 -0.29 0.00 -0.41 0.00 0.00 54.97 53.97 1tqe s GLU 74 Cb 0.17 -3.89 0.01 0.00 -1.78 0.00 0.00 34.13 28.64 1tqe s GLU 74 CO 0.25 -0.72 1.21 -1.25 -0.49 0.00 0.00 175.26 174.26 1tqe s PRO 75 N 2.17 3.95 0.00 0.39 0.04 -1.26 -4.89 135.00 135.40 1tqe s PRO 75 Ca 0.13 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1tqe s PRO 75 Cb -0.17 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1tqe s PRO 75 CO 0.13 -1.06 0.57 0.72 0.04 0.00 0.00 177.00 177.40 1tqe n HIS 76 N 7.38 0.00 -3.65 0.56 8.25 -1.26 -4.36 115.22 122.14 1tqe n HIS 76 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.59 1tqe n HIS 76 Cb 0.47 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 1tqe n HIS 76 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1tqe s GLU 77 N -1.81 0.21 -0.22 -0.41 2.12 -1.26 -5.10 118.70 112.23 1tqe s GLU 77 Ca 0.00 0.34 0.19 0.00 0.36 0.00 0.00 54.97 55.87 1tqe s GLU 77 Cb 0.00 0.05 0.44 0.00 0.26 0.00 0.00 34.13 34.88 1tqe s GLU 77 CO 0.00 -0.04 1.22 0.45 -0.54 0.00 0.00 175.26 176.34 1tqe n SER 78 N 3.11 0.58 -4.18 -1.70 2.88 -1.26 -5.14 113.62 107.91 1tqe n SER 78 Ca -0.17 -2.06 -0.40 0.00 -1.33 0.00 0.00 58.87 54.91 1tqe n SER 78 Cb 0.57 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1tqe n SER 78 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tqe n ARG 79 N -0.60 0.00 -4.72 -1.46 1.74 -1.26 -5.03 116.66 105.33 1tqe n ARG 79 Ca -0.02 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 1tqe n ARG 79 Cb 0.87 -0.98 -0.09 0.00 -1.02 0.00 0.00 32.46 31.24 1tqe n ARG 79 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1tqe s THR 80 N -1.76 1.37 0.43 0.55 2.01 -1.26 -4.99 115.64 112.00 1tqe s THR 80 Ca 0.57 -2.00 0.17 0.00 0.31 0.00 0.00 61.69 60.74 1tqe s THR 80 Cb -0.57 -2.40 0.36 0.00 0.01 0.00 0.00 72.50 69.90 1tqe s THR 80 CO 0.63 0.00 1.92 0.78 -0.69 0.00 0.00 174.62 177.25 1tqe h ASN 81 N 1.48 0.36 0.01 3.53 2.35 -2.01 -2.61 115.58 118.70 1tqe h ASN 81 Ca -0.44 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.21 1tqe h ASN 81 Cb 1.29 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.62 1tqe h ASN 81 CO 0.76 0.18 -0.48 0.74 -1.65 0.00 0.00 177.43 176.98 1tqe h THR 82 N 0.38 1.49 0.00 2.81 2.02 -1.98 -2.16 112.91 115.46 1tqe h THR 82 Ca 0.37 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.48 1tqe h THR 82 Cb 0.91 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1tqe h THR 82 CO -0.12 0.59 0.14 0.47 0.37 0.00 0.00 175.52 176.98 1tqe n ASP 83 N -4.32 0.33 -0.08 4.18 10.43 -0.99 0.13 116.55 126.22 1tqe n ASP 83 Ca -0.10 0.59 -0.08 0.00 2.57 0.00 0.00 54.79 57.76 1tqe n ASP 83 Cb 0.62 -0.59 -0.03 0.00 1.84 0.00 0.00 41.12 42.96 1tqe n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1tqe n ILE 84 N -1.95 1.45 -0.14 0.53 2.08 -1.16 -2.71 119.36 117.46 1tqe n ILE 84 Ca -0.01 0.16 -0.04 0.00 0.56 0.00 0.00 62.75 63.41 1tqe n ILE 84 Cb 0.16 -2.34 0.02 0.00 -0.75 0.00 0.00 39.64 36.73 1tqe n ILE 84 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1tqe h LEU 85 N -1.00 -0.62 -0.07 1.39 3.38 -0.70 0.84 115.31 118.53 1tqe h LEU 85 Ca -0.05 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1tqe h LEU 85 Cb 0.75 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1tqe h LEU 85 CO -0.03 -0.21 -0.38 -0.08 0.09 0.00 0.00 178.44 177.83 1tqe h GLU 86 N -0.08 -0.41 -0.07 1.13 4.81 0.83 -1.89 114.58 118.89 1tqe h GLU 86 Ca 0.22 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1tqe h GLU 86 Cb 0.42 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1tqe h GLU 86 CO -0.50 -0.27 0.09 1.15 -0.73 0.00 0.00 179.01 178.74 1tqe h THR 87 N -0.42 0.47 -0.25 0.32 2.02 -1.19 -0.95 112.91 112.90 1tqe h THR 87 Ca 0.02 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 1tqe h THR 87 Cb 0.48 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1tqe h THR 87 CO -0.29 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.30 1tqe h LEU 88 N 0.00 0.64 0.14 2.58 3.38 -0.03 -2.73 115.31 119.29 1tqe h LEU 88 Ca 0.03 -0.46 -0.30 0.00 0.09 0.00 0.00 57.88 57.24 1tqe h LEU 88 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1tqe h LEU 88 CO -0.00 0.97 -1.45 0.11 0.09 0.00 0.00 178.44 178.16 1tqe h LYS 89 N 0.31 0.30 -0.71 1.13 1.57 -1.21 -3.27 116.57 114.70 1tqe h LYS 89 Ca 0.04 -0.52 0.16 0.00 -1.87 0.00 0.00 60.65 58.46 1tqe h LYS 89 Cb 0.78 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 1tqe h LYS 89 CO 0.06 1.20 0.48 -0.09 -0.57 0.00 0.00 179.45 180.53 1tqe h ARG 90 N 0.08 0.28 0.00 3.15 2.43 -1.23 -3.52 114.38 115.58 1tqe h ARG 90 Ca -0.22 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1tqe h ARG 90 Cb 2.03 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1tqe h ARG 90 CO 0.19 0.19 0.00 0.54 -1.51 0.00 0.00 179.97 179.38