#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsf s ARG 2 N 0.00 0.47 0.25 0.00 0.52 -1.26 -5.15 118.95 113.77 3hsf s ARG 2 Ca 0.00 -0.11 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 3hsf s ARG 2 Cb 0.00 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 3hsf s ARG 2 CO 0.00 0.02 0.36 -1.25 0.02 0.00 0.00 175.30 174.45 3hsf s PRO 3 N 0.30 3.41 0.33 3.54 0.04 -1.26 -4.98 135.00 136.39 3hsf s PRO 3 Ca -0.03 -0.78 0.25 0.00 0.04 0.00 0.00 61.00 60.48 3hsf s PRO 3 Cb -0.07 -2.88 1.18 0.00 0.04 0.00 0.00 34.50 32.78 3hsf s PRO 3 CO -0.00 0.41 1.76 0.00 0.04 0.00 0.00 177.00 179.20 3hsf h ALA 4 N 1.16 1.00 0.06 8.56 0.00 -2.01 -2.65 119.26 125.38 3hsf h ALA 4 Ca -0.52 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 3hsf h ALA 4 Cb 1.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 3hsf h ALA 4 CO 0.61 0.00 -0.80 0.35 0.00 0.00 0.00 179.25 179.40 3hsf h PHE 5 N 0.00 0.69 -0.03 0.00 3.57 -1.97 -1.51 116.94 117.70 3hsf h PHE 5 Ca 0.00 -0.42 -0.08 0.00 3.53 0.00 0.00 57.97 61.00 3hsf h PHE 5 Cb 0.21 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3hsf h PHE 5 CO 0.00 1.27 -0.38 0.28 -2.23 0.00 0.00 178.31 177.25 3hsf h VAL 6 N -0.07 1.28 0.00 1.41 2.07 -1.88 -0.35 116.25 118.71 3hsf h VAL 6 Ca -0.12 -1.35 -0.18 0.00 0.82 0.00 0.00 66.70 65.88 3hsf h VAL 6 Cb 1.53 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 3hsf h VAL 6 CO 0.15 0.39 -0.86 0.78 0.02 0.00 0.00 177.57 178.05 3hsf h ASN 7 N 0.05 0.00 0.55 0.57 2.35 -1.50 -3.21 115.58 114.40 3hsf h ASN 7 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hsf h ASN 7 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3hsf h ASN 7 CO 0.05 0.86 -0.60 2.29 -1.65 0.00 0.00 177.43 178.39 3hsf n LYS 8 N -3.47 0.09 0.06 0.81 2.85 -0.57 -3.98 118.16 113.96 3hsf n LYS 8 Ca -0.00 0.02 -0.11 0.00 -1.05 0.00 0.00 58.31 57.16 3hsf n LYS 8 Cb 0.84 -1.55 -0.13 0.00 -0.65 0.00 0.00 35.03 33.54 3hsf n LYS 8 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3hsf h LEU 9 N 0.00 0.18 0.00 -5.58 5.85 -1.07 -3.21 115.31 111.48 3hsf h LEU 9 Ca 0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3hsf h LEU 9 Cb 0.57 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hsf h LEU 9 CO 0.00 1.18 0.00 0.79 -0.34 0.00 0.00 178.44 180.07 3hsf n TRP 10 N -3.38 0.00 -0.12 1.25 5.03 -1.22 -2.17 117.44 116.83 3hsf n TRP 10 Ca -0.07 0.00 -0.16 0.00 3.03 0.00 0.00 57.50 60.29 3hsf n TRP 10 Cb 1.00 -0.42 -0.12 0.00 -1.03 0.00 0.00 31.31 30.74 3hsf n TRP 10 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 3hsf n SER 11 N -1.42 1.87 0.09 -0.99 7.64 -1.22 -4.27 113.62 115.33 3hsf n SER 11 Ca 0.05 -0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.68 3hsf n SER 11 Cb 0.15 -0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 3hsf n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hsf h MET 12 N 0.00 0.26 -0.48 1.43 -0.00 -1.55 -3.14 114.93 111.46 3hsf h MET 12 Ca -0.55 -0.36 -0.02 0.00 -0.00 0.00 0.00 59.70 58.77 3hsf h MET 12 Cb 1.89 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 33.59 3hsf h MET 12 CO -0.07 1.12 0.21 0.28 -0.00 0.00 0.00 176.91 178.44 3hsf h VAL 13 N 0.11 1.17 0.00 -0.10 2.07 -1.67 -3.39 116.25 114.44 3hsf h VAL 13 Ca -0.09 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hsf h VAL 13 Cb 1.76 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3hsf h VAL 13 CO 0.17 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.55 3hsf n ASN 14 N -4.37 0.00 -1.40 0.57 4.13 -1.22 -4.45 115.26 108.51 3hsf n ASN 14 Ca 0.04 0.00 0.17 0.00 1.68 0.00 0.00 54.58 56.46 3hsf n ASN 14 Cb 0.14 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.29 3hsf n ASN 14 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3hsf n ASP 15 N 0.00 -7.48 -0.01 6.41 2.03 -1.19 -3.01 116.55 113.31 3hsf n ASP 15 Ca 0.00 1.33 -0.21 0.00 0.52 0.00 0.00 54.79 56.44 3hsf n ASP 15 Cb 0.00 -4.78 -0.14 0.00 -0.72 0.00 0.00 41.12 35.48 3hsf n ASP 15 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3hsf n LYS 16 N -4.28 0.74 0.13 -0.67 4.76 -1.26 -2.92 118.16 114.67 3hsf n LYS 16 Ca -0.08 0.25 -0.01 0.00 -2.87 0.00 0.00 58.31 55.59 3hsf n LYS 16 Cb 0.65 -1.68 0.15 0.00 -1.84 0.00 0.00 35.03 32.30 3hsf n LYS 16 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3hsf h SER 17 N 0.06 0.00 0.87 4.39 4.64 -1.99 -3.12 113.55 118.39 3hsf h SER 17 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3hsf h SER 17 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 3hsf h SER 17 CO 0.06 0.64 -0.85 0.78 -0.87 0.00 0.00 176.83 176.60 3hsf h ASN 18 N 0.00 0.00 -0.74 4.97 2.35 -1.75 -3.36 115.58 117.06 3hsf h ASN 18 Ca -0.01 -0.14 0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3hsf h ASN 18 Cb 1.17 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 3hsf h ASN 18 CO 0.08 0.07 0.48 -0.08 -1.65 0.00 0.00 177.43 176.34 3hsf h GLU 19 N 0.00 0.68 -0.12 0.81 4.81 -1.43 0.22 114.58 119.55 3hsf h GLU 19 Ca 0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3hsf h GLU 19 Cb 0.86 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3hsf h GLU 19 CO 0.00 0.45 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.15 3hsf h LYS 20 N 0.70 0.25 0.00 1.92 3.64 -1.72 -3.39 116.57 117.97 3hsf h LYS 20 Ca 0.33 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3hsf h LYS 20 Cb 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3hsf h LYS 20 CO -0.12 0.58 0.00 1.19 -2.27 0.00 0.00 179.45 178.83 3hsf n PHE 21 N -4.07 0.00 -2.99 1.91 3.72 -0.42 -4.92 117.46 110.70 3hsf n PHE 21 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 3hsf n PHE 21 Cb 0.44 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.89 3hsf n PHE 21 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 3hsf s ILE 22 N -0.43 4.98 0.15 4.37 2.07 0.65 -4.27 121.20 128.71 3hsf s ILE 22 Ca 0.00 1.49 -0.05 0.00 -1.41 0.00 0.00 60.65 60.68 3hsf s ILE 22 Cb 0.00 -4.07 -0.02 0.00 0.13 0.00 0.00 42.46 38.50 3hsf s ILE 22 CO 0.00 0.14 0.17 -1.38 -1.91 0.00 0.00 174.94 171.96 3hsf s HIS 23 N 1.50 0.62 0.61 3.50 -3.43 -1.23 -3.81 115.29 113.06 3hsf s HIS 23 Ca 0.37 -0.99 -0.13 0.00 -0.80 0.00 0.00 55.06 53.51 3hsf s HIS 23 Cb -0.17 -0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 30.68 3hsf s HIS 23 CO 0.15 -0.62 1.03 -1.58 -2.00 0.00 0.00 174.74 171.72 3hsf s TRP 24 N -4.01 3.34 0.00 0.38 0.52 -1.26 -2.61 118.94 115.30 3hsf s TRP 24 Ca 0.20 1.40 0.00 0.00 0.02 0.00 0.00 56.10 57.73 3hsf s TRP 24 Cb 0.05 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.54 3hsf s TRP 24 CO 0.01 -0.85 0.93 0.43 0.02 0.00 0.00 176.95 177.49 3hsf n SER 25 N -2.49 0.00 0.00 2.95 7.64 -0.71 -4.84 113.62 116.17 3hsf n SER 25 Ca 0.07 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.89 3hsf n SER 25 Cb 0.54 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3hsf n SER 25 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3hsf n THR 26 N -1.88 0.00 -3.64 0.44 -1.04 -1.26 -5.10 114.28 101.79 3hsf n THR 26 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3hsf n THR 26 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3hsf n THR 26 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3hsf s SER 27 N -1.55 -0.71 0.00 8.00 0.15 -1.26 -5.02 113.70 113.30 3hsf s SER 27 Ca 0.00 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.02 3hsf s SER 27 Cb 0.00 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 3hsf s SER 27 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3hsf n GLY 28 N 2.72 1.21 0.00 9.45 0.00 -1.26 -4.90 105.19 112.40 3hsf n GLY 28 Ca -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3hsf n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hsf n GLU 29 N 0.00 0.00 -2.60 1.61 0.28 -1.26 -5.09 120.64 113.58 3hsf n GLU 29 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 3hsf n GLU 29 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 3hsf n GLU 29 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3hsf n SER 30 N 0.00 -1.54 -4.75 -1.84 2.88 -1.25 -3.20 113.62 103.91 3hsf n SER 30 Ca 0.00 1.39 -0.38 0.00 -1.33 0.00 0.00 58.87 58.55 3hsf n SER 30 Cb 0.00 -5.06 -0.06 0.00 -0.75 0.00 0.00 64.21 58.34 3hsf n SER 30 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3hsf s ILE 31 N -0.62 5.16 -0.03 2.46 1.01 -1.02 -1.74 121.20 126.42 3hsf s ILE 31 Ca -0.25 0.87 0.05 0.00 0.00 0.00 0.00 60.65 61.32 3hsf s ILE 31 Cb 0.02 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 3hsf s ILE 31 CO 0.68 0.40 -0.18 -0.69 0.00 0.00 0.00 174.94 175.15 3hsf s VAL 32 N 0.15 2.74 -0.36 2.92 1.01 -1.07 0.13 120.40 125.92 3hsf s VAL 32 Ca 0.24 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3hsf s VAL 32 Cb -0.15 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.28 3hsf s VAL 32 CO 0.10 0.57 0.07 -0.69 0.00 0.00 0.00 175.10 175.15 3hsf s VAL 33 N -0.71 2.31 -0.15 2.92 1.01 -1.05 -3.49 120.40 121.24 3hsf s VAL 33 Ca 0.11 -2.44 0.15 0.00 0.00 0.00 0.00 61.98 59.80 3hsf s VAL 33 Cb -0.10 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3hsf s VAL 33 CO 0.00 -0.62 1.33 1.55 0.00 0.00 0.00 175.10 177.37 3hsf h PRO 34 N 7.51 0.00 -2.13 2.72 0.13 -1.86 -3.35 132.00 135.02 3hsf h PRO 34 Ca -0.04 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.54 3hsf h PRO 34 Cb 1.01 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.78 3hsf h PRO 34 CO 0.54 0.47 -0.97 0.09 -0.23 0.00 0.00 178.00 177.90 3hsf n ASN 35 N -3.17 -0.60 0.17 1.44 3.02 -1.26 -4.93 115.26 109.94 3hsf n ASN 35 Ca 0.00 -2.50 0.13 0.00 -0.03 0.00 0.00 54.58 52.18 3hsf n ASN 35 Cb 0.76 -0.36 0.61 0.00 -0.61 0.00 0.00 39.78 40.17 3hsf n ASN 35 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3hsf h ARG 36 N 5.17 0.00 0.08 3.52 2.43 -1.84 -2.58 114.38 121.16 3hsf h ARG 36 Ca 0.20 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3hsf h ARG 36 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3hsf h ARG 36 CO 0.37 0.00 -0.04 1.49 -1.51 0.00 0.00 179.97 180.28 3hsf h GLU 37 N 0.00 -0.10 0.00 0.20 4.81 -1.93 -2.52 114.58 115.03 3hsf h GLU 37 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3hsf h GLU 37 Cb 0.21 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3hsf h GLU 37 CO 0.00 -0.07 -0.17 -0.09 -0.73 0.00 0.00 179.01 177.95 3hsf h ARG 38 N -0.15 0.00 0.66 1.92 2.43 -2.00 -3.05 114.38 114.19 3hsf h ARG 38 Ca -0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3hsf h ARG 38 Cb 0.08 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3hsf h ARG 38 CO 0.02 0.17 -0.32 0.35 -1.51 0.00 0.00 179.97 178.68 3hsf h PHE 39 N 0.00 -0.82 -0.71 2.20 3.57 -1.51 -2.52 116.94 117.15 3hsf h PHE 39 Ca -0.00 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.69 3hsf h PHE 39 Cb 0.37 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 3hsf h PHE 39 CO 0.00 -0.51 0.52 0.28 -2.23 0.00 0.00 178.31 176.37 3hsf h VAL 40 N -0.90 0.62 0.73 1.41 2.07 -1.42 0.10 116.25 118.86 3hsf h VAL 40 Ca -0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3hsf h VAL 40 Cb 0.68 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3hsf h VAL 40 CO 0.15 0.00 -0.35 -0.61 0.02 0.00 0.00 177.57 176.78 3hsf h GLN 41 N 0.00 -0.94 -0.82 1.57 4.15 -1.38 -2.61 115.11 115.08 3hsf h GLN 41 Ca 0.34 0.06 -0.49 0.00 0.77 0.00 0.00 58.65 59.33 3hsf h GLN 41 Cb 1.38 0.21 -0.27 0.00 0.21 0.00 0.00 27.48 29.01 3hsf h GLN 41 CO -0.00 -0.63 0.41 0.39 -1.93 0.00 0.00 178.83 177.07 3hsf n GLU 42 N -5.39 2.40 0.00 1.69 1.02 -0.98 -4.56 120.64 114.83 3hsf n GLU 42 Ca -0.12 -3.24 0.00 0.00 -0.02 0.00 0.00 57.16 53.78 3hsf n GLU 42 Cb 0.38 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 3hsf n GLU 42 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hsf n VAL 43 N -1.04 0.00 -0.14 2.62 0.31 0.32 -4.70 118.33 115.70 3hsf n VAL 43 Ca 0.53 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.76 3hsf n VAL 43 Cb 1.17 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.09 3hsf n VAL 43 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hsf h LEU 44 N 0.00 0.62 0.00 7.52 5.85 -1.49 -2.68 115.31 125.14 3hsf h LEU 44 Ca 0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hsf h LEU 44 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3hsf h LEU 44 CO 0.00 0.71 -0.29 -0.81 -0.34 0.00 0.00 178.44 177.71 3hsf n PRO 45 N -4.54 0.18 0.00 5.25 -0.04 -1.25 -1.70 135.00 132.90 3hsf n PRO 45 Ca -0.00 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 3hsf n PRO 45 Cb 0.22 -1.66 0.72 0.00 -0.04 0.00 0.00 33.50 32.74 3hsf n PRO 45 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hsf n LYS 46 N -1.94 0.60 0.00 0.54 4.76 -1.01 -4.30 118.16 116.80 3hsf n LYS 46 Ca 0.05 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3hsf n LYS 46 Cb 0.40 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3hsf n LYS 46 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3hsf n TYR 47 N -1.15 -0.12 -4.58 2.13 4.02 -1.20 -5.03 117.16 111.23 3hsf n TYR 47 Ca 0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.72 3hsf n TYR 47 Cb 0.15 0.36 -0.15 0.00 -0.02 0.00 0.00 39.34 39.68 3hsf n TYR 47 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3hsf s PHE 48 N -1.71 2.80 -0.51 -0.72 0.08 -0.69 -5.07 117.98 112.15 3hsf s PHE 48 Ca 0.00 -0.90 -0.28 0.00 0.12 0.00 0.00 56.93 55.88 3hsf s PHE 48 Cb 0.00 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3hsf s PHE 48 CO 0.00 -0.39 1.10 0.15 -0.10 0.00 0.00 175.22 175.98 3hsf s LYS 49 N 0.69 3.58 -0.83 0.44 1.02 -1.26 -3.78 119.74 119.61 3hsf s LYS 49 Ca -0.07 0.31 -0.03 0.00 0.02 0.00 0.00 55.97 56.21 3hsf s LYS 49 Cb -0.15 -3.96 -0.01 0.00 -0.52 0.00 0.00 37.83 33.19 3hsf s LYS 49 CO 0.02 -1.46 0.73 0.72 -0.92 0.00 0.00 175.35 174.44 3hsf n HIS 50 N 7.86 -2.69 -0.04 3.18 8.25 -1.26 -4.95 115.22 125.57 3hsf n HIS 50 Ca 0.09 1.00 -0.02 0.00 -0.26 0.00 0.00 57.72 58.53 3hsf n HIS 50 Cb 0.49 -3.87 -0.10 0.00 1.12 0.00 0.00 29.99 27.63 3hsf n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hsf n SER 51 N -2.18 1.93 -0.96 0.41 2.88 -1.26 -5.11 113.62 109.33 3hsf n SER 51 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3hsf n SER 51 Cb 0.55 1.07 0.00 0.00 -0.75 0.00 0.00 64.21 65.08 3hsf n SER 51 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3hsf n ASN 52 N -2.30 -5.75 -0.16 -3.46 5.03 -1.26 -3.71 115.26 103.66 3hsf n ASN 52 Ca -0.14 0.71 0.20 0.00 0.87 0.00 0.00 54.58 56.21 3hsf n ASN 52 Cb 0.73 -2.21 0.59 0.00 -1.02 0.00 0.00 39.78 37.86 3hsf n ASN 52 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 3hsf h PHE 53 N 1.41 0.31 -0.29 3.10 -5.15 -2.00 -0.88 116.94 113.44 3hsf h PHE 53 Ca 0.00 0.01 0.02 0.00 -0.20 0.00 0.00 57.97 57.80 3hsf h PHE 53 Cb 0.00 -0.10 -0.03 0.00 0.22 0.00 0.00 35.95 36.05 3hsf h PHE 53 CO 0.00 0.10 0.13 0.00 -2.00 0.00 0.00 178.31 176.54 3hsf h ALA 54 N 1.64 0.34 -0.21 12.09 0.00 -2.00 -1.39 119.26 129.73 3hsf h ALA 54 Ca 0.38 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3hsf h ALA 54 Cb 1.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hsf h ALA 54 CO -0.09 -0.26 -0.01 0.77 0.00 0.00 0.00 179.25 179.67 3hsf h SER 55 N 0.28 0.28 -0.45 0.00 0.02 -1.24 -2.03 113.55 110.42 3hsf h SER 55 Ca 0.12 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3hsf h SER 55 Cb 0.05 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3hsf h SER 55 CO -0.09 0.34 0.21 0.15 -1.14 0.00 0.00 176.83 176.29 3hsf h PHE 56 N 0.30 0.65 0.00 3.45 3.57 -1.02 -1.69 116.94 122.20 3hsf h PHE 56 Ca 0.07 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3hsf h PHE 56 Cb 0.22 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3hsf h PHE 56 CO 0.00 0.53 -0.13 0.28 -2.23 0.00 0.00 178.31 176.76 3hsf h VAL 57 N 0.58 0.40 -0.16 1.41 2.07 -0.80 -2.77 116.25 116.98 3hsf h VAL 57 Ca 0.15 -0.74 -0.19 0.00 0.82 0.00 0.00 66.70 66.74 3hsf h VAL 57 Cb 0.13 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3hsf h VAL 57 CO -0.02 0.13 -0.65 -0.09 0.02 0.00 0.00 177.57 176.96 3hsf h ARG 58 N 0.00 0.72 -0.46 1.57 9.65 -0.64 -2.02 114.38 123.21 3hsf h ARG 58 Ca -0.00 -0.56 -0.12 0.00 -1.10 0.00 0.00 59.98 58.19 3hsf h ARG 58 Cb 0.53 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 3hsf h ARG 58 CO 0.02 1.18 -0.21 1.96 2.80 0.00 0.00 179.97 185.72 3hsf h GLN 59 N 0.43 0.92 -0.12 0.20 1.08 -1.19 -2.24 115.11 114.19 3hsf h GLN 59 Ca -0.04 -0.38 -0.15 0.00 -1.45 0.00 0.00 58.65 56.64 3hsf h GLN 59 Cb 1.28 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 3hsf h GLN 59 CO 0.14 1.04 -0.56 -0.07 -0.95 0.00 0.00 178.83 178.43 3hsf h LEU 60 N 0.80 0.41 -0.30 1.46 3.38 -1.51 -3.14 115.31 116.41 3hsf h LEU 60 Ca 0.11 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3hsf h LEU 60 Cb 0.76 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3hsf h LEU 60 CO 0.06 0.88 -0.45 0.78 0.09 0.00 0.00 178.44 179.80 3hsf h ASN 61 N 0.28 0.00 0.78 -0.43 -0.26 -1.25 -1.96 115.58 112.74 3hsf h ASN 61 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hsf h ASN 61 Cb 1.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 3hsf h ASN 61 CO 0.09 0.45 -0.06 1.15 -1.06 0.00 0.00 177.43 178.01 3hsf n MET 62 N -3.30 0.18 -0.06 0.81 0.00 -0.85 -4.12 117.12 109.77 3hsf n MET 62 Ca 0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 3hsf n MET 62 Cb 0.66 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 32.33 3hsf n MET 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3hsf n TYR 63 N -1.39 0.00 0.00 3.17 4.01 -1.19 -5.05 117.16 116.71 3hsf n TYR 63 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3hsf n TYR 63 Cb 0.31 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 3hsf n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hsf n GLY 64 N 2.60 -1.34 3.47 2.72 0.00 -0.94 -5.14 105.19 106.56 3hsf n GLY 64 Ca -0.22 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 3hsf n GLY 64 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hsf s TRP 65 N 0.00 -0.60 -0.11 1.61 0.52 -0.78 -4.73 118.94 114.84 3hsf s TRP 65 Ca 0.00 1.38 -0.18 0.00 0.02 0.00 0.00 56.10 57.32 3hsf s TRP 65 Cb 0.00 0.24 0.04 0.00 -1.15 0.00 0.00 33.47 32.60 3hsf s TRP 65 CO 0.00 -0.37 0.45 -1.01 0.02 0.00 0.00 176.95 176.04 3hsf s HIS 66 N -0.09 -0.43 1.19 -1.98 3.76 -0.96 -4.26 115.29 112.51 3hsf s HIS 66 Ca -0.03 0.95 -0.16 0.00 -0.15 0.00 0.00 55.06 55.67 3hsf s HIS 66 Cb -0.03 0.18 0.28 0.00 1.11 0.00 0.00 32.58 34.12 3hsf s HIS 66 CO 0.03 -0.33 1.03 -1.59 -0.85 0.00 0.00 174.74 173.03 3hsf s LYS 67 N -0.39 -1.13 0.16 1.40 0.00 -1.26 -2.63 119.74 115.89 3hsf s LYS 67 Ca -0.05 0.44 -0.31 0.00 0.00 0.00 0.00 55.97 56.05 3hsf s LYS 67 Cb -0.03 -1.56 -0.09 0.00 0.00 0.00 0.00 37.83 36.14 3hsf s LYS 67 CO 0.03 -3.76 1.44 0.08 0.00 0.00 0.00 175.35 173.14 3hsf s VAL 68 N -2.64 3.00 -0.11 1.79 1.01 -1.26 -4.72 120.40 117.47 3hsf s VAL 68 Ca 0.68 0.75 0.19 0.00 0.00 0.00 0.00 61.98 63.60 3hsf s VAL 68 Cb -0.19 -3.48 0.16 0.00 0.00 0.00 0.00 36.38 32.87 3hsf s VAL 68 CO 0.60 0.07 1.59 -0.61 0.00 0.00 0.00 175.10 176.75 3hsf h GLN 69 N 6.34 0.00 -2.94 2.72 5.75 -1.98 -3.49 115.11 121.51 3hsf h GLN 69 Ca -0.43 0.00 0.32 0.00 -0.15 0.00 0.00 58.65 58.39 3hsf h GLN 69 Cb 1.21 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.63 3hsf h GLN 69 CO 0.85 0.35 -0.81 -3.47 -2.65 0.00 0.00 178.83 173.10 3hsf n ASP 70 N -3.26 -7.53 0.24 -0.69 2.03 -1.26 -3.47 116.55 102.61 3hsf n ASP 70 Ca 0.02 0.92 0.07 0.00 0.52 0.00 0.00 54.79 56.32 3hsf n ASP 70 Cb 0.61 -4.09 0.58 0.00 -0.72 0.00 0.00 41.12 37.51 3hsf n ASP 70 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3hsf h VAL 71 N -1.21 0.99 -0.40 5.18 2.07 -1.99 -3.40 116.25 117.49 3hsf h VAL 71 Ca -0.08 -0.48 0.11 0.00 0.82 0.00 0.00 66.70 67.07 3hsf h VAL 71 Cb 1.18 1.27 -0.18 0.00 -1.52 0.00 0.00 31.29 32.04 3hsf h VAL 71 CO 0.04 0.13 -0.16 -0.54 0.02 0.00 0.00 177.57 177.07 3hsf s LYS 72 N -4.63 0.29 0.00 1.57 -0.14 -1.26 -5.10 119.74 110.47 3hsf s LYS 72 Ca -0.04 -0.00 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 3hsf s LYS 72 Cb 0.15 0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 3hsf s LYS 72 CO 0.67 -0.46 0.13 0.43 -0.76 0.00 0.00 175.35 175.36 3hsf n SER 73 N 4.28 0.00 0.00 2.83 7.64 -1.23 -4.90 113.62 122.25 3hsf n SER 73 Ca 0.07 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.09 3hsf n SER 73 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 3hsf n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hsf n GLY 74 N 1.68 2.19 3.15 0.23 0.00 -1.26 -4.76 105.19 106.42 3hsf n GLY 74 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.69 3hsf n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsf s SER 75 N 0.00 -0.77 0.14 1.61 1.04 -1.26 -5.10 113.70 109.36 3hsf s SER 75 Ca 0.00 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.92 3hsf s SER 75 Cb 0.00 1.65 0.00 0.00 0.10 0.00 0.00 66.02 67.77 3hsf s SER 75 CO 0.00 -0.14 0.00 0.23 0.98 0.00 0.00 173.24 174.31 3hsf n MET 76 N 5.46 -3.41 -0.18 4.02 2.81 -1.26 -4.80 117.12 119.75 3hsf n MET 76 Ca -0.05 2.59 -0.10 0.00 -1.81 0.00 0.00 57.70 58.33 3hsf n MET 76 Cb 0.53 -2.61 -0.08 0.00 -0.71 0.00 0.00 33.22 30.35 3hsf n MET 76 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3hsf h LEU 77 N 2.56 -1.53 0.00 4.03 3.38 -1.92 -3.44 115.31 118.39 3hsf h LEU 77 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hsf h LEU 77 Cb 0.00 0.64 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hsf h LEU 77 CO 0.00 -0.27 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 3hsf n SER 78 N -4.77 0.00 0.00 -0.43 3.41 -1.26 -4.86 113.62 105.71 3hsf n SER 78 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3hsf n SER 78 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3hsf n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hsf n ASN 79 N -0.04 0.00 -4.21 4.04 5.03 -1.26 -5.10 115.26 113.72 3hsf n ASN 79 Ca 0.00 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.15 3hsf n ASN 79 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 38.60 3hsf n ASN 79 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3hsf s ASN 80 N 0.00 2.74 0.07 6.41 -0.87 -1.26 -5.09 114.94 116.94 3hsf s ASN 80 Ca 0.00 -0.46 -0.31 0.00 -1.57 0.00 0.00 52.86 50.52 3hsf s ASN 80 Cb 0.00 -0.86 -0.09 0.00 -0.02 0.00 0.00 41.25 40.28 3hsf s ASN 80 CO 0.00 0.19 1.78 -0.62 -2.57 0.00 0.00 177.10 175.88 3hsf s ASP 81 N 0.02 6.51 -0.33 -1.22 2.15 -1.26 -3.87 116.67 118.66 3hsf s ASP 81 Ca -0.07 2.60 -0.04 0.00 0.43 0.00 0.00 52.55 55.48 3hsf s ASP 81 Cb -0.14 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 3hsf s ASP 81 CO 0.04 -0.97 0.14 -1.20 -0.17 0.00 0.00 175.17 173.01 3hsf n SER 82 N 6.13 -8.02 -3.15 -0.34 7.64 -1.26 -5.01 113.62 109.61 3hsf n SER 82 Ca 0.17 1.23 0.05 0.00 1.01 0.00 0.00 58.87 61.33 3hsf n SER 82 Cb 0.40 -5.32 -0.00 0.00 -1.01 0.00 0.00 64.21 58.28 3hsf n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hsf s ARG 83 N -1.86 0.29 0.31 1.43 1.81 -1.25 -4.69 118.95 114.98 3hsf s ARG 83 Ca 0.06 0.30 -0.19 0.00 -1.72 0.00 0.00 55.73 54.18 3hsf s ARG 83 Cb -0.02 0.14 0.04 0.00 -0.45 0.00 0.00 34.95 34.67 3hsf s ARG 83 CO 0.78 -0.51 0.78 1.67 -0.68 0.00 0.00 175.30 177.33 3hsf s TRP 84 N 2.91 -0.06 0.00 -0.53 -2.14 -1.26 -4.89 118.94 112.98 3hsf s TRP 84 Ca 0.20 -0.47 0.00 0.00 2.66 0.00 0.00 56.10 58.49 3hsf s TRP 84 Cb -0.05 0.75 0.00 0.00 -3.10 0.00 0.00 33.47 31.07 3hsf s TRP 84 CO -0.23 -1.32 0.00 -1.91 -2.66 0.00 0.00 176.95 170.83 3hsf n GLU 85 N -0.50 3.01 -2.91 3.25 2.13 -1.26 -2.54 120.64 121.83 3hsf n GLU 85 Ca -0.06 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.63 3hsf n GLU 85 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 3hsf n GLU 85 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3hsf n PHE 86 N 0.00 -2.38 -3.15 4.31 3.72 0.12 -4.65 117.46 115.42 3hsf n PHE 86 Ca 0.00 -2.34 -0.32 0.00 -0.05 0.00 0.00 57.45 54.74 3hsf n PHE 86 Cb 0.00 0.93 -0.06 0.00 -0.94 0.00 0.00 39.48 39.41 3hsf n PHE 86 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3hsf s GLU 87 N 0.11 3.98 0.00 -1.08 2.56 -1.08 -2.43 118.70 120.76 3hsf s GLU 87 Ca 0.33 0.64 0.00 0.00 0.00 0.00 0.00 54.97 55.93 3hsf s GLU 87 Cb 0.19 -2.44 0.00 0.00 2.00 0.00 0.00 34.13 33.88 3hsf s GLU 87 CO -0.19 0.16 0.00 -1.71 -0.56 0.00 0.00 175.26 172.96 3hsf n ASN 88 N -0.38 0.00 -1.69 -1.70 5.15 -1.26 -2.27 115.26 113.11 3hsf n ASN 88 Ca 0.03 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.93 3hsf n ASN 88 Cb 0.53 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.96 3hsf n ASN 88 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hsf n GLU 89 N 0.00 2.52 -5.07 1.20 1.02 -1.26 -4.27 120.64 114.78 3hsf n GLU 89 Ca 0.00 -2.07 -0.32 0.00 -0.02 0.00 0.00 57.16 54.75 3hsf n GLU 89 Cb 0.00 -1.88 -0.16 0.00 -0.02 0.00 0.00 31.44 29.37 3hsf n GLU 89 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hsf s ARG 90 N -2.22 3.12 -0.47 3.49 3.52 -1.26 -5.00 118.95 120.12 3hsf s ARG 90 Ca 0.38 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 3hsf s ARG 90 Cb 0.31 -2.38 0.63 0.00 -1.56 0.00 0.00 34.95 31.94 3hsf s ARG 90 CO 0.09 0.16 1.91 -2.39 -0.81 0.00 0.00 175.30 174.26 3hsf n HIS 91 N 3.58 2.99 0.50 5.12 1.44 -1.26 -5.04 115.22 122.55 3hsf n HIS 91 Ca -0.19 -2.01 0.06 0.00 -2.01 0.00 0.00 57.72 53.57 3hsf n HIS 91 Cb 0.53 -0.99 0.05 0.00 0.12 0.00 0.00 29.99 29.69 3hsf n HIS 91 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53