#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 1.87 -0.02 0.00 3.52 -1.26 -5.09 118.95 117.97 3hsf s ARG 2 Ca 0.00 -2.86 -0.07 0.00 -0.13 0.00 0.00 55.73 52.67 3hsf s ARG 2 Cb 0.00 -2.67 -0.05 0.00 -1.56 0.00 0.00 34.95 30.67 3hsf s ARG 2 CO 0.00 -1.32 0.25 -1.25 -0.81 0.00 0.00 175.30 172.17 3hsf s PRO 3 N -0.85 3.57 0.47 5.12 0.04 -1.26 -4.98 135.00 137.11 3hsf s PRO 3 Ca 0.27 -0.06 0.27 0.00 0.04 0.00 0.00 61.00 61.52 3hsf s PRO 3 Cb -0.02 -3.11 1.05 0.00 0.04 0.00 0.00 34.50 32.46 3hsf s PRO 3 CO -0.17 0.68 1.87 0.00 0.04 0.00 0.00 177.00 179.42 3hsf h ALA 4 N 4.22 1.02 0.28 8.56 0.00 -1.98 -2.71 119.26 128.65 3hsf h ALA 4 Ca -0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hsf h ALA 4 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hsf h ALA 4 CO 0.64 0.19 -0.13 0.35 0.00 0.00 0.00 179.25 180.31 3hsf h PHE 5 N 0.00 -0.34 -0.76 0.00 3.57 -1.98 -1.36 116.94 116.06 3hsf h PHE 5 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3hsf h PHE 5 Cb 0.67 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3hsf h PHE 5 CO 0.00 0.00 0.30 0.28 -2.23 0.00 0.00 178.31 176.66 3hsf h VAL 6 N -0.75 1.26 -0.00 1.41 2.07 -1.98 -0.70 116.25 117.55 3hsf h VAL 6 Ca -0.04 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3hsf h VAL 6 Cb 0.50 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hsf h VAL 6 CO 0.06 0.33 -0.16 0.78 0.02 0.00 0.00 177.57 178.60 3hsf h ASN 7 N 1.11 0.00 1.59 0.57 -0.26 -1.47 -0.84 115.58 116.28 3hsf h ASN 7 Ca 0.25 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.91 3hsf h ASN 7 Cb 0.22 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3hsf h ASN 7 CO -0.02 0.16 -0.42 0.50 -1.06 0.00 0.00 177.43 176.60 3hsf h LYS 8 N 0.00 0.00 0.00 0.81 3.11 -0.27 -3.23 116.57 117.00 3hsf h LYS 8 Ca -0.00 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.71 3hsf h LYS 8 Cb 0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 3hsf h LYS 8 CO 0.02 0.38 -0.62 1.25 -2.81 0.00 0.00 179.45 177.67 3hsf h LEU 9 N 0.00 0.00 -0.49 5.20 5.85 0.26 -3.12 115.31 123.01 3hsf h LEU 9 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hsf h LEU 9 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3hsf h LEU 9 CO 0.05 0.62 0.00 0.79 -0.34 0.00 0.00 178.44 179.56 3hsf n TRP 10 N -3.43 0.52 -0.11 1.25 5.03 -0.88 -2.21 117.44 117.61 3hsf n TRP 10 Ca 0.00 0.21 -0.19 0.00 3.03 0.00 0.00 57.50 60.56 3hsf n TRP 10 Cb 0.71 -0.84 -0.07 0.00 -1.03 0.00 0.00 31.31 30.08 3hsf n TRP 10 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 3hsf n SER 11 N -1.98 1.90 0.03 -0.99 2.88 -1.18 -3.61 113.62 110.66 3hsf n SER 11 Ca 0.02 0.41 -0.01 0.00 -1.33 0.00 0.00 58.87 57.97 3hsf n SER 11 Cb 0.19 -0.85 0.27 0.00 -0.75 0.00 0.00 64.21 63.08 3hsf n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hsf h MET 12 N -1.00 0.46 -0.01 -1.46 -0.00 -1.62 -2.27 114.93 109.02 3hsf h MET 12 Ca -0.33 -0.13 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 3hsf h MET 12 Cb 1.20 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.75 3hsf h MET 12 CO -0.20 0.58 -0.08 0.28 -0.00 0.00 0.00 176.91 177.49 3hsf n VAL 13 N -4.21 0.00 0.30 -0.10 0.31 -0.94 -3.82 118.33 109.87 3hsf n VAL 13 Ca 0.00 -0.12 0.19 0.00 -0.01 0.00 0.00 64.34 64.40 3hsf n VAL 13 Cb 0.31 0.10 0.87 0.00 -0.91 0.00 0.00 33.84 34.22 3hsf n VAL 13 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3hsf h ASN 14 N 1.14 0.00 -2.61 4.52 -0.73 -1.47 -3.43 115.58 113.01 3hsf h ASN 14 Ca 0.00 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.98 3hsf h ASN 14 Cb 0.37 0.00 0.04 0.00 0.27 0.00 0.00 38.32 39.00 3hsf h ASN 14 CO 0.00 0.02 -0.29 0.47 -0.37 0.00 0.00 177.43 177.26 3hsf n ASP 15 N -3.15 -3.79 -0.09 1.15 8.00 -1.25 -4.96 116.55 112.46 3hsf n ASP 15 Ca -0.01 -0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.20 3hsf n ASP 15 Cb 0.22 -2.59 -0.05 0.00 -0.02 0.00 0.00 41.12 38.68 3hsf n ASP 15 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3hsf n LYS 16 N -2.37 0.50 -0.10 -1.24 4.81 -1.26 -4.03 118.16 114.47 3hsf n LYS 16 Ca -0.04 0.49 -0.24 0.00 -0.87 0.00 0.00 58.31 57.66 3hsf n LYS 16 Cb 0.55 -1.67 -0.12 0.00 0.02 0.00 0.00 35.03 33.81 3hsf n LYS 16 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3hsf n SER 17 N -4.52 1.96 -2.77 3.14 7.64 -1.26 -4.39 113.62 113.42 3hsf n SER 17 Ca -0.19 0.26 -0.37 0.00 1.01 0.00 0.00 58.87 59.58 3hsf n SER 17 Cb 0.46 -0.80 0.03 0.00 -1.01 0.00 0.00 64.21 62.88 3hsf n SER 17 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3hsf n ASN 18 N -4.00 7.37 0.26 6.43 0.23 -1.26 -4.64 115.26 119.64 3hsf n ASN 18 Ca -0.42 -3.72 0.13 0.00 -0.53 0.00 0.00 54.58 50.04 3hsf n ASN 18 Cb 0.87 -1.09 0.69 0.00 -2.08 0.00 0.00 39.78 38.17 3hsf n ASN 18 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hsf h GLU 19 N 2.87 0.00 -0.01 -3.83 4.11 -1.77 -2.35 114.58 113.60 3hsf h GLU 19 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 3hsf h GLU 19 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hsf h GLU 19 CO 1.35 0.12 -0.43 1.17 0.07 0.00 0.00 179.01 181.30 3hsf n LYS 20 N -3.46 0.60 -0.00 1.06 0.00 -1.26 -4.09 118.16 111.00 3hsf n LYS 20 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 58.31 57.96 3hsf n LYS 20 Cb 0.28 -1.49 -0.09 0.00 0.00 0.00 0.00 35.03 33.73 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3hsf n PHE 21 N -0.85 0.00 -3.64 5.64 3.72 -0.93 -4.85 117.46 116.56 3hsf n PHE 21 Ca 0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.40 3hsf n PHE 21 Cb 0.36 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 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 -2.54 0.00 -0.03 4.37 2.07 -0.97 -4.21 121.20 119.89 3hsf s ILE 22 Ca 0.01 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.96 3hsf s ILE 22 Cb 0.09 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.75 3hsf s ILE 22 CO 0.55 0.00 0.63 -1.38 -1.91 0.00 0.00 174.94 172.83 3hsf s HIS 23 N 0.71 -0.59 0.67 3.50 -3.43 -1.24 -4.47 115.29 110.45 3hsf s HIS 23 Ca -0.02 0.97 -0.17 0.00 -0.80 0.00 0.00 55.06 55.05 3hsf s HIS 23 Cb -0.05 0.38 0.01 0.00 -1.43 0.00 0.00 32.58 31.49 3hsf s HIS 23 CO -0.08 -0.60 1.23 -1.58 -2.00 0.00 0.00 174.74 171.72 3hsf s TRP 24 N -1.36 2.15 1.01 0.38 0.52 -1.26 -2.35 118.94 118.03 3hsf s TRP 24 Ca -0.11 1.55 -0.12 0.00 0.02 0.00 0.00 56.10 57.44 3hsf s TRP 24 Cb -0.01 -3.52 0.20 0.00 -1.15 0.00 0.00 33.47 28.98 3hsf s TRP 24 CO 0.08 -2.58 1.08 -1.12 0.02 0.00 0.00 176.95 174.44 3hsf s SER 25 N -1.78 2.45 0.44 2.95 0.01 -1.06 -4.77 113.70 111.94 3hsf s SER 25 Ca 0.77 1.34 -0.25 0.00 1.31 0.00 0.00 55.95 59.12 3hsf s SER 25 Cb -0.31 -2.03 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 3hsf s SER 25 CO 0.41 -3.26 1.42 -0.89 0.41 0.00 0.00 173.24 171.33 3hsf s THR 26 N -2.85 2.11 -1.75 1.44 2.01 -1.26 -1.43 115.64 113.91 3hsf s THR 26 Ca 0.66 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.75 3hsf s THR 26 Cb -0.20 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3hsf s THR 26 CO 0.59 0.01 0.00 -0.24 -0.69 0.00 0.00 174.62 174.29 3hsf n SER 27 N -0.14 -5.34 0.00 3.53 2.88 -1.26 -4.69 113.62 108.61 3hsf n SER 27 Ca 0.05 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 3hsf n SER 27 Cb 0.42 -4.43 0.00 0.00 -0.75 0.00 0.00 64.21 59.45 3hsf n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsf n GLY 28 N -0.88 0.81 1.69 0.46 0.00 -0.51 -5.02 105.19 101.73 3hsf n GLY 28 Ca -0.21 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3hsf n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hsf n GLU 29 N 0.00 -3.27 -1.42 1.61 -0.58 -1.26 -4.29 120.64 111.43 3hsf n GLU 29 Ca 0.00 2.55 0.17 0.00 -0.42 0.00 0.00 57.16 59.46 3hsf n GLU 29 Cb 0.00 -2.91 -0.09 0.00 -0.57 0.00 0.00 31.44 27.87 3hsf n GLU 29 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3hsf n SER 30 N 1.14 -7.88 -4.62 1.62 7.64 -1.26 -4.21 113.62 106.05 3hsf n SER 30 Ca 0.00 1.35 -0.24 0.00 1.01 0.00 0.00 58.87 60.99 3hsf n SER 30 Cb 0.00 -4.83 -0.08 0.00 -1.01 0.00 0.00 64.21 58.29 3hsf n SER 30 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hsf s ILE 31 N -4.07 2.71 -0.02 0.44 1.01 -0.97 -2.57 121.20 117.73 3hsf s ILE 31 Ca 0.00 -1.99 0.07 0.00 0.00 0.00 0.00 60.65 58.73 3hsf s ILE 31 Cb 0.00 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3hsf s ILE 31 CO 0.00 -0.23 -0.22 -0.69 0.00 0.00 0.00 174.94 173.80 3hsf s VAL 32 N -2.50 1.71 -0.69 2.92 1.01 -0.99 -2.41 120.40 119.45 3hsf s VAL 32 Ca 0.34 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3hsf s VAL 32 Cb -0.01 -1.42 0.17 0.00 0.00 0.00 0.00 36.38 35.11 3hsf s VAL 32 CO 0.19 0.48 0.48 -0.69 0.00 0.00 0.00 175.10 175.57 3hsf s VAL 33 N -0.47 2.85 0.31 2.92 1.01 -0.66 -3.63 120.40 122.73 3hsf s VAL 33 Ca 0.07 -4.22 0.12 0.00 0.00 0.00 0.00 61.98 57.95 3hsf s VAL 33 Cb -0.09 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3hsf s VAL 33 CO -0.01 -1.00 1.71 1.55 0.00 0.00 0.00 175.10 177.35 3hsf h PRO 34 N 5.44 0.00 -2.47 2.72 0.13 -1.82 -3.14 132.00 132.86 3hsf h PRO 34 Ca 0.14 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.66 3hsf h PRO 34 Cb 0.76 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.47 3hsf h PRO 34 CO 0.71 0.51 -0.63 0.09 -0.23 0.00 0.00 178.00 178.45 3hsf n ASN 35 N -3.90 3.17 0.22 1.44 3.02 -1.26 -4.71 115.26 113.24 3hsf n ASN 35 Ca -0.01 -3.29 0.10 0.00 -0.03 0.00 0.00 54.58 51.34 3hsf n ASN 35 Cb 0.53 -0.69 0.42 0.00 -0.61 0.00 0.00 39.78 39.43 3hsf n ASN 35 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3hsf h ARG 36 N 4.60 0.00 0.00 3.52 0.11 -1.87 -1.71 114.38 119.03 3hsf h ARG 36 Ca 0.18 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.19 3hsf h ARG 36 Cb 0.71 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 3hsf h ARG 36 CO 0.76 0.22 -0.50 1.49 0.10 0.00 0.00 179.97 182.05 3hsf h GLU 37 N 0.00 0.00 0.00 0.08 4.57 -1.93 -3.36 114.58 113.93 3hsf h GLU 37 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3hsf h GLU 37 Cb 0.80 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 3hsf h GLU 37 CO 0.03 0.53 -0.23 -0.09 -1.18 0.00 0.00 179.01 178.07 3hsf h ARG 38 N -1.00 0.00 -0.24 1.92 2.43 -1.97 -3.18 114.38 112.34 3hsf h ARG 38 Ca -0.10 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3hsf h ARG 38 Cb 0.75 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3hsf h ARG 38 CO -0.06 0.23 0.08 0.35 -1.51 0.00 0.00 179.97 179.05 3hsf h PHE 39 N 0.00 0.14 -0.55 2.20 3.04 -1.47 -0.98 116.94 119.31 3hsf h PHE 39 Ca -0.00 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.97 3hsf h PHE 39 Cb 0.75 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 3hsf h PHE 39 CO 0.00 0.06 0.36 0.28 -2.02 0.00 0.00 178.31 176.99 3hsf h VAL 40 N 0.18 1.13 0.00 1.41 2.07 -1.69 0.59 116.25 119.94 3hsf h VAL 40 Ca 0.10 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3hsf h VAL 40 Cb 0.07 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3hsf h VAL 40 CO -0.11 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3hsf n GLN 41 N -4.71 0.16 -0.29 1.57 6.02 -0.98 -2.22 117.38 116.93 3hsf n GLN 41 Ca 0.04 0.34 0.04 0.00 -0.01 0.00 0.00 57.00 57.40 3hsf n GLN 41 Cb 0.03 -1.77 0.05 0.00 1.02 0.00 0.00 30.24 29.57 3hsf n GLN 41 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hsf n GLU 42 N -2.07 0.60 0.00 -1.09 -0.58 -0.41 -4.87 120.64 112.21 3hsf n GLU 42 Ca 0.03 -1.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.17 3hsf n GLU 42 Cb 0.25 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 3hsf n GLU 42 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hsf n VAL 43 N -0.57 0.00 0.10 2.62 0.31 0.20 -4.85 118.33 116.15 3hsf n VAL 43 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 3hsf n VAL 43 Cb 0.65 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.50 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 -0.18 -1.26 7.52 5.85 -1.39 -2.87 115.31 122.97 3hsf h LEU 44 Ca 0.00 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3hsf h LEU 44 Cb 0.00 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3hsf h LEU 44 CO 0.00 -0.01 -0.33 1.55 -0.34 0.00 0.00 178.44 179.31 3hsf h PRO 45 N -0.35 0.00 0.00 5.25 0.13 -1.81 -1.47 132.00 133.75 3hsf h PRO 45 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hsf h PRO 45 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 3hsf h PRO 45 CO 0.04 0.33 0.00 0.87 -0.23 0.00 0.00 178.00 179.01 3hsf h LYS 46 N 0.00 0.00 0.00 0.86 1.79 -1.84 -3.07 116.57 114.32 3hsf h LYS 46 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hsf h LYS 46 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3hsf h LYS 46 CO 0.04 0.00 -0.28 0.66 -1.08 0.00 0.00 179.45 178.79 3hsf n TYR 47 N -2.47 0.00 -4.23 -1.35 4.02 -1.00 -5.09 117.16 107.03 3hsf n TYR 47 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 3hsf n TYR 47 Cb 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 3hsf n TYR 47 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3hsf n PHE 48 N -0.96 -0.22 0.10 -0.72 3.72 -0.59 -5.10 117.46 113.68 3hsf n PHE 48 Ca 0.00 -1.66 0.00 0.00 -0.05 0.00 0.00 57.45 55.74 3hsf n PHE 48 Cb 0.00 0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3hsf n PHE 48 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3hsf n LYS 49 N -0.47 0.00 -1.12 -1.08 5.02 -1.26 -4.56 118.16 114.69 3hsf n LYS 49 Ca 0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.12 3hsf n LYS 49 Cb 0.37 -0.10 0.19 0.00 -0.02 0.00 0.00 35.03 35.47 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hsf n HIS 50 N -3.29 2.56 -4.07 2.13 8.25 -1.26 -4.96 115.22 114.59 3hsf n HIS 50 Ca 0.00 -1.76 -0.22 0.00 -0.26 0.00 0.00 57.72 55.48 3hsf n HIS 50 Cb 0.00 -0.83 -0.05 0.00 1.12 0.00 0.00 29.99 30.23 3hsf n HIS 50 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hsf s SER 51 N -1.59 5.06 0.18 0.41 0.01 -1.26 -5.14 113.70 111.37 3hsf s SER 51 Ca 0.54 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.30 3hsf s SER 51 Cb 0.46 -1.01 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 3hsf s SER 51 CO 0.08 -0.18 -0.01 0.20 0.41 0.00 0.00 173.24 173.74 3hsf s ASN 52 N -3.85 1.39 0.37 2.44 -0.87 -1.26 -4.97 114.94 108.18 3hsf s ASN 52 Ca 0.36 -1.16 0.06 0.00 -1.57 0.00 0.00 52.86 50.55 3hsf s ASN 52 Cb -0.06 0.08 0.77 0.00 -0.02 0.00 0.00 41.25 42.03 3hsf s ASN 52 CO 0.24 -0.53 1.97 0.15 -2.57 0.00 0.00 177.10 176.36 3hsf h PHE 53 N 2.67 0.72 -0.80 2.20 3.57 -1.99 -0.98 116.94 122.33 3hsf h PHE 53 Ca -0.37 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.19 3hsf h PHE 53 Cb 1.20 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 3hsf h PHE 53 CO 0.56 0.39 0.52 0.00 -2.23 0.00 0.00 178.31 177.55 3hsf h ALA 54 N 1.63 1.56 -0.13 2.41 0.00 -2.00 -1.06 119.26 121.65 3hsf h ALA 54 Ca 0.29 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3hsf h ALA 54 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hsf h ALA 54 CO -0.09 0.35 -0.55 0.77 0.00 0.00 0.00 179.25 179.73 3hsf h SER 55 N 0.94 0.44 0.08 0.00 0.02 -1.59 -2.56 113.55 110.87 3hsf h SER 55 Ca 0.33 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3hsf h SER 55 Cb 0.11 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3hsf h SER 55 CO -0.10 0.90 -0.20 0.15 -1.14 0.00 0.00 176.83 176.44 3hsf h PHE 56 N 0.31 0.26 0.08 3.45 3.57 -0.90 -2.45 116.94 121.26 3hsf h PHE 56 Ca 0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3hsf h PHE 56 Cb 1.06 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3hsf h PHE 56 CO 0.03 0.44 -0.04 0.28 -2.23 0.00 0.00 178.31 176.79 3hsf h VAL 57 N 0.22 0.99 -0.24 1.41 2.07 -1.17 -2.85 116.25 116.69 3hsf h VAL 57 Ca 0.04 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.17 3hsf h VAL 57 Cb 0.49 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3hsf h VAL 57 CO 0.03 0.30 0.22 0.08 0.02 0.00 0.00 177.57 178.22 3hsf h ARG 58 N -0.91 0.00 -0.04 1.57 -0.00 -1.47 -1.65 114.38 111.89 3hsf h ARG 58 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.91 3hsf h ARG 58 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.54 3hsf h ARG 58 CO 0.02 0.00 -0.21 1.96 -0.00 0.00 0.00 179.97 181.74 3hsf h GLN 59 N 0.00 0.20 -0.41 0.08 1.08 -1.48 -2.48 115.11 112.11 3hsf h GLN 59 Ca 0.12 -0.17 0.09 0.00 -1.45 0.00 0.00 58.65 57.23 3hsf h GLN 59 Cb 0.55 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 3hsf h GLN 59 CO -0.00 0.83 0.28 -0.07 -0.95 0.00 0.00 178.83 178.92 3hsf h LEU 60 N -0.37 0.15 0.06 1.46 3.38 -1.06 -2.10 115.31 116.83 3hsf h LEU 60 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3hsf h LEU 60 Cb 0.88 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.61 3hsf h LEU 60 CO 0.04 0.10 -0.74 0.78 0.09 0.00 0.00 178.44 178.70 3hsf h ASN 61 N 0.17 0.55 0.44 -0.43 2.35 -1.43 0.63 115.58 117.86 3hsf h ASN 61 Ca 0.19 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 3hsf h ASN 61 Cb 0.52 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3hsf h ASN 61 CO -0.03 1.32 0.00 -0.03 -1.65 0.00 0.00 177.43 177.04 3hsf h MET 62 N -0.14 0.00 0.05 0.81 4.05 -0.92 -3.09 114.93 115.69 3hsf h MET 62 Ca -0.11 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 58.97 3hsf h MET 62 Cb 1.49 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.25 3hsf h MET 62 CO 0.14 0.00 -1.89 0.66 0.23 0.00 0.00 176.91 176.05 3hsf n TYR 63 N -2.85 0.85 0.00 1.39 4.01 -0.87 -5.01 117.16 114.68 3hsf n TYR 63 Ca -0.01 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 3hsf n TYR 63 Cb 0.16 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.09 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 1.75 0.38 3.54 2.72 0.00 -1.02 -5.09 105.19 107.46 3hsf n GLY 64 Ca -0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3hsf n GLY 64 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hsf n TRP 65 N 0.00 1.54 -3.77 1.61 7.02 0.18 -4.58 117.44 119.44 3hsf n TRP 65 Ca 0.00 0.09 -0.36 0.00 -1.02 0.00 0.00 57.50 56.21 3hsf n TRP 65 Cb 0.00 -2.63 -0.07 0.00 -2.42 0.00 0.00 31.31 26.19 3hsf n TRP 65 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3hsf s HIS 66 N 10.10 3.49 0.76 -5.99 3.76 -0.70 -3.93 115.29 122.78 3hsf s HIS 66 Ca 1.04 0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 56.26 3hsf s HIS 66 Cb -0.42 -2.09 0.05 0.00 1.11 0.00 0.00 32.58 31.23 3hsf s HIS 66 CO 0.34 0.46 1.13 0.15 -0.85 0.00 0.00 174.74 175.97 3hsf s LYS 67 N -0.16 2.37 -0.07 1.40 3.01 -1.26 -1.94 119.74 123.09 3hsf s LYS 67 Ca 0.11 0.32 0.02 0.00 -1.01 0.00 0.00 55.97 55.41 3hsf s LYS 67 Cb -0.12 -1.98 0.02 0.00 -1.01 0.00 0.00 37.83 34.74 3hsf s LYS 67 CO 0.01 -1.35 -0.10 0.14 0.51 0.00 0.00 175.35 174.56 3hsf s VAL 68 N -3.44 1.00 -0.61 3.17 -7.23 -1.24 -4.84 120.40 107.21 3hsf s VAL 68 Ca 0.60 -0.37 -0.02 0.00 -1.81 0.00 0.00 61.98 60.37 3hsf s VAL 68 Cb -0.11 -0.95 0.25 0.00 0.56 0.00 0.00 36.38 36.13 3hsf s VAL 68 CO 0.51 0.33 2.28 0.00 -0.31 0.00 0.00 175.10 177.91 3hsf n GLN 69 N 4.07 2.50 -3.08 4.82 10.64 -1.26 -4.73 117.38 130.33 3hsf n GLN 69 Ca -0.21 -2.83 -0.01 0.00 -1.83 0.00 0.00 57.00 52.12 3hsf n GLN 69 Cb 0.51 -2.14 0.00 0.00 -0.86 0.00 0.00 30.24 27.75 3hsf n GLN 69 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 3hsf n ASP 70 N -0.01 -7.73 -3.34 2.61 2.03 -1.26 -4.97 116.55 103.88 3hsf n ASP 70 Ca 0.51 -0.10 -0.27 0.00 0.52 0.00 0.00 54.79 55.44 3hsf n ASP 70 Cb 0.46 -5.26 -0.07 0.00 -0.72 0.00 0.00 41.12 35.52 3hsf n ASP 70 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3hsf n VAL 71 N -1.83 2.31 0.00 5.18 0.24 -1.26 -4.78 118.33 118.19 3hsf n VAL 71 Ca -0.01 -5.21 -0.01 0.00 -2.04 0.00 0.00 64.34 57.07 3hsf n VAL 71 Cb 0.51 -1.99 -0.00 0.00 -1.47 0.00 0.00 33.84 30.89 3hsf n VAL 71 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3hsf n LYS 72 N 0.72 0.05 -0.10 7.34 5.02 -1.26 -4.80 118.16 125.12 3hsf n LYS 72 Ca 0.30 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3hsf n LYS 72 Cb 0.42 -0.34 -0.04 0.00 -0.02 0.00 0.00 35.03 35.05 3hsf n LYS 72 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hsf h SER 73 N -0.09 0.59 0.00 4.39 0.87 -2.03 -3.47 113.55 113.80 3hsf h SER 73 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3hsf h SER 73 Cb 0.09 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3hsf h SER 73 CO 0.00 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 177.74 3hsf n GLY 74 N -0.14 1.61 0.00 5.77 0.00 -1.26 -5.10 105.19 106.07 3hsf n GLY 74 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hsf n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hsf n SER 75 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.16 113.62 116.44 3hsf n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hsf n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hsf n SER 75 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3hsf n MET 76 N 0.00 0.00 -2.18 1.43 1.56 -1.26 -5.04 117.12 111.63 3hsf n MET 76 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 3hsf n MET 76 Cb 0.00 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.37 3hsf n MET 76 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3hsf s LEU 77 N 0.00 3.42 0.00 -0.89 1.02 -1.26 -5.06 118.68 115.91 3hsf s LEU 77 Ca 0.00 1.32 0.00 0.00 0.02 0.00 0.00 54.13 55.47 3hsf s LEU 77 Cb 0.00 -4.32 0.00 0.00 0.02 0.00 0.00 46.19 41.89 3hsf s LEU 77 CO 0.00 -0.73 0.00 -1.20 0.02 0.00 0.00 176.35 174.44 3hsf n SER 78 N -2.36 0.00 -1.05 2.29 7.64 -1.26 -5.07 113.62 113.81 3hsf n SER 78 Ca 0.05 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.07 3hsf n SER 78 Cb 0.54 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 3hsf n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3hsf n ASN 79 N -0.41 -6.24 -4.96 6.43 5.15 -1.26 -4.82 115.26 109.15 3hsf n ASN 79 Ca 0.00 1.13 -0.22 0.00 -0.60 0.00 0.00 54.58 54.88 3hsf n ASN 79 Cb 0.00 -3.31 0.03 0.00 -0.53 0.00 0.00 39.78 35.97 3hsf n ASN 79 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hsf s ASN 80 N -5.46 5.53 -0.99 1.20 0.01 -1.26 -5.02 114.94 108.95 3hsf s ASN 80 Ca 0.00 0.18 -0.15 0.00 -0.71 0.00 0.00 52.86 52.18 3hsf s ASN 80 Cb 0.00 -1.23 0.18 0.00 0.41 0.00 0.00 41.25 40.61 3hsf s ASN 80 CO 0.00 -0.95 1.12 1.51 -1.51 0.00 0.00 177.10 177.27 3hsf s ASP 81 N -4.33 6.84 -0.38 -1.22 -4.77 -1.26 -4.67 116.67 106.89 3hsf s ASP 81 Ca 0.53 -2.59 0.09 0.00 -3.30 0.00 0.00 52.55 47.28 3hsf s ASP 81 Cb -0.10 -2.34 0.37 0.00 -1.09 0.00 0.00 42.92 39.76 3hsf s ASP 81 CO 0.39 -0.79 1.36 -1.54 0.70 0.00 0.00 175.17 175.29 3hsf n SER 82 N 5.32 -1.77 -3.16 2.11 3.41 -1.26 -5.08 113.62 113.19 3hsf n SER 82 Ca 0.25 -2.36 0.03 0.00 -0.26 0.00 0.00 58.87 56.53 3hsf n SER 82 Cb 0.46 0.96 -0.00 0.00 -0.26 0.00 0.00 64.21 65.36 3hsf n SER 82 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hsf s ARG 83 N 0.18 0.62 -0.21 4.33 3.00 -1.26 -4.64 118.95 120.96 3hsf s ARG 83 Ca 0.19 0.28 -0.09 0.00 -1.00 0.00 0.00 55.73 55.11 3hsf s ARG 83 Cb 0.38 0.19 -0.05 0.00 0.00 0.00 0.00 34.95 35.48 3hsf s ARG 83 CO -0.09 -1.05 0.12 -1.58 0.00 0.00 0.00 175.30 172.69 3hsf s TRP 84 N 2.53 3.31 -0.35 5.12 0.52 -1.19 -4.94 118.94 123.93 3hsf s TRP 84 Ca 0.13 0.17 -0.06 0.00 0.02 0.00 0.00 56.10 56.35 3hsf s TRP 84 Cb -0.08 -2.18 0.06 0.00 -1.15 0.00 0.00 33.47 30.12 3hsf s TRP 84 CO -0.20 0.13 0.13 -1.21 0.02 0.00 0.00 176.95 175.81 3hsf s GLU 85 N 0.69 2.52 -0.55 4.98 0.41 -1.26 -1.65 118.70 123.83 3hsf s GLU 85 Ca 0.06 -1.31 -0.28 0.00 -0.41 0.00 0.00 54.97 53.02 3hsf s GLU 85 Cb -0.13 -3.48 0.03 0.00 -1.78 0.00 0.00 34.13 28.77 3hsf s GLU 85 CO 0.01 -0.75 1.17 -0.06 -0.49 0.00 0.00 175.26 175.14 3hsf s PHE 86 N 1.35 2.67 0.13 1.61 0.08 -1.01 -3.64 117.98 119.16 3hsf s PHE 86 Ca -0.00 0.49 0.01 0.00 0.12 0.00 0.00 56.93 57.55 3hsf s PHE 86 Cb -0.20 -4.49 -0.04 0.00 -0.57 0.00 0.00 43.02 37.71 3hsf s PHE 86 CO 0.01 -1.50 0.29 -2.00 -0.10 0.00 0.00 175.22 171.93 3hsf s GLU 87 N 4.80 3.47 0.52 0.44 2.12 -0.82 -2.28 118.70 126.96 3hsf s GLU 87 Ca 0.44 -0.46 0.06 0.00 0.36 0.00 0.00 54.97 55.37 3hsf s GLU 87 Cb -0.07 -2.95 0.06 0.00 0.26 0.00 0.00 34.13 31.42 3hsf s GLU 87 CO 0.27 0.52 0.48 -1.71 -0.54 0.00 0.00 175.26 174.28 3hsf n ASN 88 N -0.27 2.48 0.00 -1.70 5.15 -1.26 -1.71 115.26 117.95 3hsf n ASN 88 Ca -0.06 -2.69 -0.11 0.00 -0.60 0.00 0.00 54.58 51.13 3hsf n ASN 88 Cb 0.53 -0.13 -0.08 0.00 -0.53 0.00 0.00 39.78 39.57 3hsf n ASN 88 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3hsf h GLU 89 N 0.00 -0.11 -3.26 1.20 5.08 -1.96 -3.46 114.58 112.06 3hsf h GLU 89 Ca -0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3hsf h GLU 89 Cb 1.19 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hsf h GLU 89 CO 0.47 0.42 -0.78 -2.13 -1.00 0.00 0.00 179.01 175.99 3hsf n ARG 90 N -4.82 -4.09 -2.69 2.33 3.00 -1.26 -4.98 116.66 104.14 3hsf n ARG 90 Ca -0.07 3.00 -0.08 0.00 -0.00 0.00 0.00 57.85 60.69 3hsf n ARG 90 Cb 0.29 -3.34 0.07 0.00 0.00 0.00 0.00 32.46 29.47 3hsf n ARG 90 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 3hsf n HIS 91 N -0.29 -0.40 -0.48 -0.14 1.44 -1.26 -5.31 115.22 108.78 3hsf n HIS 91 Ca 0.00 -2.46 0.00 0.00 -2.01 0.00 0.00 57.72 53.25 3hsf n HIS 91 Cb 0.00 0.45 0.00 0.00 0.12 0.00 0.00 29.99 30.56 3hsf n HIS 91 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53