#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 4.11 -0.33 0.00 1.81 -1.26 -5.03 118.95 118.25 3hsf s ARG 2 Ca 0.00 0.64 -0.26 0.00 -1.72 0.00 0.00 55.73 54.39 3hsf s ARG 2 Cb 0.00 -3.14 0.01 0.00 -0.45 0.00 0.00 34.95 31.37 3hsf s ARG 2 CO 0.00 0.59 0.93 -1.25 -0.68 0.00 0.00 175.30 174.89 3hsf s PRO 3 N -1.36 3.94 0.57 3.54 0.04 -1.26 -4.90 135.00 135.57 3hsf s PRO 3 Ca 0.31 0.73 0.29 0.00 0.04 0.00 0.00 61.00 62.37 3hsf s PRO 3 Cb -0.18 -3.76 1.72 0.00 0.04 0.00 0.00 34.50 32.32 3hsf s PRO 3 CO 0.19 -0.85 2.21 0.00 0.04 0.00 0.00 177.00 178.59 3hsf h ALA 4 N 8.25 1.50 -0.12 8.56 0.00 -2.00 -2.44 119.26 133.00 3hsf h ALA 4 Ca -0.23 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3hsf h ALA 4 Cb 1.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hsf h ALA 4 CO 0.97 0.03 -0.15 0.35 0.00 0.00 0.00 179.25 180.45 3hsf h PHE 5 N 0.00 0.39 -0.36 0.00 3.57 -1.99 -2.30 116.94 116.25 3hsf h PHE 5 Ca -0.00 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 3hsf h PHE 5 Cb 0.07 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3hsf h PHE 5 CO 0.00 0.75 0.03 0.28 -2.23 0.00 0.00 178.31 177.14 3hsf h VAL 6 N -0.08 1.19 -0.64 1.41 2.07 -1.86 -1.08 116.25 117.26 3hsf h VAL 6 Ca 0.02 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 3hsf h VAL 6 Cb 0.70 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3hsf h VAL 6 CO 0.04 0.26 0.20 0.78 0.02 0.00 0.00 177.57 178.86 3hsf h ASN 7 N 0.53 0.91 0.45 0.57 2.35 -1.41 -0.62 115.58 118.37 3hsf h ASN 7 Ca 0.12 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3hsf h ASN 7 Cb 0.29 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3hsf h ASN 7 CO 0.01 0.85 -0.27 0.50 -1.65 0.00 0.00 177.43 176.87 3hsf h LYS 8 N 0.95 0.00 -0.03 0.81 3.64 -0.66 -3.04 116.57 118.24 3hsf h LYS 8 Ca 0.21 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3hsf h LYS 8 Cb 0.27 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3hsf h LYS 8 CO -0.01 0.27 -0.03 1.25 -2.27 0.00 0.00 179.45 178.66 3hsf h LEU 9 N 0.00 0.07 -6.77 5.20 5.85 0.05 -3.21 115.31 116.50 3hsf h LEU 9 Ca -0.00 -0.49 -0.74 0.00 0.84 0.00 0.00 57.88 57.49 3hsf h LEU 9 Cb 0.56 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.44 3hsf h LEU 9 CO 0.03 0.55 2.06 0.79 -0.34 0.00 0.00 178.44 181.53 3hsf n TRP 10 N -4.80 3.63 0.00 1.25 8.01 -0.89 -2.44 117.44 122.20 3hsf n TRP 10 Ca -0.08 -2.95 0.00 0.00 -1.31 0.00 0.00 57.50 53.16 3hsf n TRP 10 Cb 0.27 -2.15 0.00 0.00 -2.01 0.00 0.00 31.31 27.42 3hsf n TRP 10 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3hsf n SER 11 N 4.96 0.00 0.02 -0.99 3.41 -1.25 -4.87 113.62 114.90 3hsf n SER 11 Ca 0.42 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.87 3hsf n SER 11 Cb 0.39 0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.21 3hsf n SER 11 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3hsf h MET 12 N 0.00 0.18 0.10 4.33 1.85 -1.57 -3.33 114.93 116.50 3hsf h MET 12 Ca 0.00 -0.31 -0.00 0.00 -0.61 0.00 0.00 59.70 58.77 3hsf h MET 12 Cb 0.00 0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.15 3hsf h MET 12 CO 0.00 0.97 -0.05 0.28 -0.40 0.00 0.00 176.91 177.71 3hsf h VAL 13 N 0.05 0.88 -1.24 -5.77 2.07 -1.74 -3.34 116.25 107.16 3hsf h VAL 13 Ca -0.32 -1.36 -0.75 0.00 0.82 0.00 0.00 66.70 65.09 3hsf h VAL 13 Cb 2.02 1.57 -0.13 0.00 -1.52 0.00 0.00 31.29 33.22 3hsf h VAL 13 CO 0.11 0.26 2.27 -3.20 0.02 0.00 0.00 177.57 177.03 3hsf n ASN 14 N -4.83 6.86 -4.24 0.57 4.05 -1.26 -4.65 115.26 111.76 3hsf n ASN 14 Ca -0.07 -3.12 -0.22 0.00 0.45 0.00 0.00 54.58 51.62 3hsf n ASN 14 Cb 0.26 -1.41 -0.12 0.00 1.23 0.00 0.00 39.78 39.74 3hsf n ASN 14 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3hsf s ASP 15 N 0.56 2.18 0.50 1.20 -1.08 -1.25 -4.62 116.67 114.16 3hsf s ASP 15 Ca 0.48 -0.66 0.19 0.00 -0.52 0.00 0.00 52.55 52.05 3hsf s ASP 15 Cb 0.15 -0.10 1.28 0.00 -1.46 0.00 0.00 42.92 42.79 3hsf s ASP 15 CO -0.05 0.00 2.10 0.07 0.52 0.00 0.00 175.17 177.81 3hsf h LYS 16 N 4.17 0.00 -7.14 4.34 2.10 -1.91 -3.38 116.57 114.74 3hsf h LYS 16 Ca -0.44 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 57.72 3hsf h LYS 16 Cb 1.18 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.57 3hsf h LYS 16 CO 0.40 0.09 0.22 -1.54 -2.00 0.00 0.00 179.45 176.61 3hsf s SER 17 N -6.78 5.86 -1.74 7.07 1.04 -1.26 -3.76 113.70 114.13 3hsf s SER 17 Ca -0.04 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.31 3hsf s SER 17 Cb 0.16 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.28 3hsf s SER 17 CO 0.65 -0.93 0.00 0.59 0.98 0.00 0.00 173.24 174.53 3hsf n ASN 18 N -2.57 -4.64 0.19 7.02 3.02 -1.26 -4.81 115.26 112.21 3hsf n ASN 18 Ca 0.04 0.35 0.03 0.00 -0.03 0.00 0.00 54.58 54.96 3hsf n ASN 18 Cb 0.56 -4.12 0.38 0.00 -0.61 0.00 0.00 39.78 36.00 3hsf n ASN 18 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3hsf h GLU 19 N 0.00 0.01 -0.42 3.52 4.81 -1.74 -2.13 114.58 118.63 3hsf h GLU 19 Ca -0.36 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3hsf h GLU 19 Cb 1.16 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3hsf h GLU 19 CO 0.51 0.34 0.00 0.36 -0.73 0.00 0.00 179.01 179.49 3hsf n LYS 20 N -4.15 2.08 0.00 1.92 2.85 -1.26 -4.06 118.16 115.54 3hsf n LYS 20 Ca -0.02 -1.67 0.00 0.00 -1.05 0.00 0.00 58.31 55.57 3hsf n LYS 20 Cb 0.37 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3hsf n PHE 21 N 0.86 0.00 -3.49 5.58 3.72 -0.91 -4.71 117.46 118.51 3hsf n PHE 21 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3hsf n PHE 21 Cb 0.41 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.45 -0.36 0.32 4.37 2.07 -0.85 -4.45 121.20 121.84 3hsf s ILE 22 Ca 0.00 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 3hsf s ILE 22 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 3hsf s ILE 22 CO 0.00 0.00 0.49 0.00 -1.91 0.00 0.00 174.94 173.52 3hsf n HIS 23 N 4.58 -1.52 -2.41 3.50 1.44 -1.24 -4.57 115.22 115.01 3hsf n HIS 23 Ca -0.12 -2.01 -0.30 0.00 -2.01 0.00 0.00 57.72 53.27 3hsf n HIS 23 Cb 0.54 0.56 -0.01 0.00 0.12 0.00 0.00 29.99 31.20 3hsf n HIS 23 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3hsf s TRP 24 N -3.11 3.53 0.00 -1.40 0.52 -1.26 -2.19 118.94 115.03 3hsf s TRP 24 Ca 0.24 1.16 0.00 0.00 0.02 0.00 0.00 56.10 57.52 3hsf s TRP 24 Cb -0.02 -2.57 0.00 0.00 -1.15 0.00 0.00 33.47 29.73 3hsf s TRP 24 CO 0.17 -0.38 0.14 0.43 0.02 0.00 0.00 176.95 177.33 3hsf n SER 25 N -2.01 0.00 0.18 2.95 7.64 -0.88 -4.77 113.62 116.74 3hsf n SER 25 Ca 0.04 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3hsf n SER 25 Cb 0.54 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.59 0.00 0.48 0.44 -1.04 -1.26 -4.90 114.28 107.40 3hsf n THR 26 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 3hsf n THR 26 Cb 0.00 -0.02 0.41 0.00 -1.82 0.00 0.00 70.33 68.89 3hsf n THR 26 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3hsf n SER 27 N -3.25 0.33 0.00 8.00 7.64 -1.26 -5.00 113.62 120.08 3hsf n SER 27 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.46 3hsf n SER 27 Cb 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 3hsf n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hsf n GLY 28 N 0.10 0.84 2.38 0.23 0.00 -1.26 -4.94 105.19 102.54 3hsf n GLY 28 Ca 0.03 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 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 1.15 -1.52 -3.99 1.61 4.71 -1.26 -4.89 120.64 116.46 3hsf n GLU 29 Ca 0.00 1.01 -0.11 0.00 -0.01 0.00 0.00 57.16 58.05 3hsf n GLU 29 Cb 0.00 -5.42 -0.12 0.00 -1.01 0.00 0.00 31.44 24.89 3hsf n GLU 29 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3hsf s SER 30 N -2.39 0.35 0.14 1.62 0.01 -1.26 -4.00 113.70 108.17 3hsf s SER 30 Ca 0.00 -0.37 0.07 0.00 1.31 0.00 0.00 55.95 56.96 3hsf s SER 30 Cb 0.00 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 3hsf s SER 30 CO 0.00 -0.19 -0.16 -0.63 0.41 0.00 0.00 173.24 172.68 3hsf s ILE 31 N -1.02 1.53 0.12 1.44 1.01 -1.05 -2.07 121.20 121.16 3hsf s ILE 31 Ca -0.10 -1.79 0.03 0.00 0.00 0.00 0.00 60.65 58.79 3hsf s ILE 31 Cb -0.07 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3hsf s ILE 31 CO -0.00 -0.37 -0.08 -0.69 0.00 0.00 0.00 174.94 173.80 3hsf s VAL 32 N -2.08 0.85 -0.36 2.92 1.01 -0.93 -1.89 120.40 119.92 3hsf s VAL 32 Ca 0.11 -1.98 0.01 0.00 0.00 0.00 0.00 61.98 60.13 3hsf s VAL 32 Cb -0.05 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.72 3hsf s VAL 32 CO 0.04 -0.82 0.26 -0.69 0.00 0.00 0.00 175.10 173.89 3hsf s VAL 33 N -3.53 0.03 0.42 2.92 1.01 -0.50 -3.62 120.40 117.13 3hsf s VAL 33 Ca 0.14 -1.60 0.29 0.00 0.00 0.00 0.00 61.98 60.81 3hsf s VAL 33 Cb 0.04 -1.01 0.31 0.00 0.00 0.00 0.00 36.38 35.73 3hsf s VAL 33 CO -0.03 -0.91 2.10 1.55 0.00 0.00 0.00 175.10 177.81 3hsf h PRO 34 N 6.93 0.00 -1.91 2.72 0.13 -1.84 -2.29 132.00 135.73 3hsf h PRO 34 Ca 0.07 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.86 3hsf h PRO 34 Cb 0.99 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.81 3hsf h PRO 34 CO 0.25 0.10 -0.67 -0.80 -0.23 0.00 0.00 178.00 176.65 3hsf s ASN 35 N -6.06 1.05 0.24 1.44 0.01 -1.26 -4.55 114.94 105.81 3hsf s ASN 35 Ca -0.03 -1.44 0.12 0.00 -0.71 0.00 0.00 52.86 50.80 3hsf s ASN 35 Cb 0.13 0.64 0.15 0.00 0.41 0.00 0.00 41.25 42.58 3hsf s ASN 35 CO 0.57 -0.27 1.48 -0.09 -1.51 0.00 0.00 177.10 177.28 3hsf h ARG 36 N 7.19 0.00 -0.56 -0.60 2.43 -1.71 -2.14 114.38 118.99 3hsf h ARG 36 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hsf h ARG 36 Cb 1.07 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3hsf h ARG 36 CO 0.21 0.68 0.30 1.49 -1.51 0.00 0.00 179.97 181.13 3hsf h GLU 37 N 0.00 0.79 0.00 0.20 4.57 -1.94 -2.48 114.58 115.71 3hsf h GLU 37 Ca -0.01 -0.10 -0.19 0.00 -1.18 0.00 0.00 59.36 57.88 3hsf h GLU 37 Cb 1.37 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 3hsf h GLU 37 CO 0.09 0.62 -1.03 0.00 -1.18 0.00 0.00 179.01 177.50 3hsf h ARG 38 N 0.76 0.00 0.33 1.92 2.47 -1.97 -3.22 114.38 114.67 3hsf h ARG 38 Ca 0.20 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 3hsf h ARG 38 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3hsf h ARG 38 CO -0.03 0.70 -0.21 0.35 0.56 0.00 0.00 179.97 181.34 3hsf h PHE 39 N 0.00 -0.55 -0.96 3.04 3.57 -1.12 -2.73 116.94 118.20 3hsf h PHE 39 Ca -0.07 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.59 3hsf h PHE 39 Cb 1.69 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 40.52 3hsf h PHE 39 CO 0.00 -0.31 0.56 0.28 -2.23 0.00 0.00 178.31 176.61 3hsf h VAL 40 N -0.50 0.73 -0.09 1.41 2.07 -1.61 -0.06 116.25 118.20 3hsf h VAL 40 Ca -0.04 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.25 3hsf h VAL 40 Cb 0.40 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.04 3hsf h VAL 40 CO 0.04 0.13 -0.50 1.56 0.02 0.00 0.00 177.57 178.82 3hsf h GLN 41 N 0.74 -0.57 -0.78 1.57 1.08 -1.51 -2.77 115.11 112.87 3hsf h GLN 41 Ca 0.54 0.04 -0.56 0.00 -1.45 0.00 0.00 58.65 57.21 3hsf h GLN 41 Cb 0.79 0.13 -0.42 0.00 -0.05 0.00 0.00 27.48 27.93 3hsf h GLN 41 CO -0.37 -0.38 -0.64 0.39 -0.95 0.00 0.00 178.83 176.88 3hsf n GLU 42 N -5.45 3.52 0.00 1.46 1.02 -1.04 -4.72 120.64 115.44 3hsf n GLU 42 Ca -0.06 -4.08 0.00 0.00 -0.02 0.00 0.00 57.16 53.00 3hsf n GLU 42 Cb 0.38 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 -0.73 0.00 0.04 2.62 0.31 -0.06 -4.83 118.33 115.67 3hsf n VAL 43 Ca 0.46 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.66 3hsf n VAL 43 Cb 0.94 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.78 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 -0.09 -1.02 7.52 5.85 -1.53 -3.07 115.31 122.97 3hsf h LEU 44 Ca 0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3hsf h LEU 44 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3hsf h LEU 44 CO 0.00 0.31 0.00 1.55 -0.34 0.00 0.00 178.44 179.96 3hsf h PRO 45 N -0.50 0.00 0.00 5.25 0.13 -1.82 -2.55 132.00 132.50 3hsf h PRO 45 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3hsf h PRO 45 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 3hsf h PRO 45 CO 0.02 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 178.96 3hsf n LYS 46 N -2.73 0.18 0.00 0.86 3.00 -1.16 -3.83 118.16 114.48 3hsf n LYS 46 Ca 0.02 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 3hsf n LYS 46 Cb 0.30 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.39 3hsf n LYS 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hsf n TYR 47 N -2.29 0.00 -2.48 5.64 4.02 -1.10 -5.08 117.16 115.88 3hsf n TYR 47 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 3hsf n TYR 47 Cb 0.14 0.03 0.12 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.83 -3.12 -0.07 -0.72 3.72 -0.98 -5.06 117.46 108.41 3hsf n PHE 48 Ca 0.00 -1.54 -0.14 0.00 -0.05 0.00 0.00 57.45 55.73 3hsf n PHE 48 Cb 0.46 -0.71 -0.05 0.00 -0.94 0.00 0.00 39.48 38.24 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 -2.81 0.31 -0.71 -1.08 5.02 -1.26 -4.64 118.16 112.99 3hsf n LYS 49 Ca 0.15 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 3hsf n LYS 49 Cb 0.54 -1.09 -0.00 0.00 -0.02 0.00 0.00 35.03 34.46 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 -3.41 0.00 -2.69 2.13 8.25 -1.26 -4.99 115.22 113.25 3hsf n HIS 50 Ca -0.27 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 56.65 3hsf n HIS 50 Cb 0.72 0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.82 3hsf n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hsf s SER 51 N -0.97 6.17 1.08 0.41 0.15 -1.26 -5.01 113.70 114.27 3hsf s SER 51 Ca 0.06 -0.67 -0.12 0.00 0.70 0.00 0.00 55.95 55.91 3hsf s SER 51 Cb 0.07 -2.50 0.23 0.00 -1.71 0.00 0.00 66.02 62.12 3hsf s SER 51 CO -0.03 -1.65 1.06 0.20 1.20 0.00 0.00 173.24 174.02 3hsf s ASN 52 N 3.69 1.79 0.53 5.45 0.01 -1.26 -4.77 114.94 120.38 3hsf s ASN 52 Ca 0.29 1.42 0.23 0.00 -0.71 0.00 0.00 52.86 54.10 3hsf s ASN 52 Cb -0.12 -2.14 1.39 0.00 0.41 0.00 0.00 41.25 40.79 3hsf s ASN 52 CO 0.13 -3.68 2.04 2.19 -1.51 0.00 0.00 177.10 176.27 3hsf h PHE 53 N -2.27 0.00 -0.49 2.20 -5.15 -2.00 -1.06 116.94 108.18 3hsf h PHE 53 Ca -0.58 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.18 3hsf h PHE 53 Cb 1.33 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.47 3hsf h PHE 53 CO 0.29 0.00 0.26 0.00 -2.00 0.00 0.00 178.31 176.87 3hsf h ALA 54 N 1.80 0.62 -0.29 12.09 0.00 -2.01 -2.06 119.26 129.41 3hsf h ALA 54 Ca 0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hsf h ALA 54 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hsf h ALA 54 CO -0.00 0.15 -0.10 1.03 0.00 0.00 0.00 179.25 180.33 3hsf h SER 55 N 0.64 0.46 -0.50 0.00 0.87 -1.52 -2.71 113.55 110.79 3hsf h SER 55 Ca 0.17 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3hsf h SER 55 Cb 0.06 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3hsf h SER 55 CO -0.03 0.60 0.26 0.15 -0.53 0.00 0.00 176.83 177.28 3hsf h PHE 56 N 0.45 0.70 -0.68 2.24 3.57 -1.10 -2.45 116.94 119.65 3hsf h PHE 56 Ca 0.09 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3hsf h PHE 56 Cb 0.45 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3hsf h PHE 56 CO 0.01 0.53 0.25 0.28 -2.23 0.00 0.00 178.31 177.15 3hsf h VAL 57 N 0.66 1.24 -0.73 1.41 2.07 -1.12 -2.59 116.25 117.20 3hsf h VAL 57 Ca 0.17 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3hsf h VAL 57 Cb 0.08 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3hsf h VAL 57 CO -0.03 0.31 0.29 0.03 0.02 0.00 0.00 177.57 178.20 3hsf h ARG 58 N 1.00 1.08 -0.18 1.57 2.47 -1.17 -2.26 114.38 116.88 3hsf h ARG 58 Ca 0.23 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3hsf h ARG 58 Cb 0.23 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 3hsf h ARG 58 CO -0.02 0.87 0.06 1.96 0.56 0.00 0.00 179.97 183.41 3hsf h GLN 59 N 1.05 0.27 -0.18 0.04 1.08 -1.07 -1.64 115.11 114.66 3hsf h GLN 59 Ca 0.24 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3hsf h GLN 59 Cb 0.20 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3hsf h GLN 59 CO -0.02 0.37 0.05 -0.07 -0.95 0.00 0.00 178.83 178.21 3hsf h LEU 60 N 0.11 0.22 0.00 1.46 3.38 -1.29 -1.78 115.31 117.41 3hsf h LEU 60 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hsf h LEU 60 Cb 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hsf h LEU 60 CO -0.00 0.23 -0.20 -1.13 0.09 0.00 0.00 178.44 177.43 3hsf h ASN 61 N 0.25 0.00 1.03 -0.43 -0.73 -1.12 0.28 115.58 114.87 3hsf h ASN 61 Ca 0.06 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.06 3hsf h ASN 61 Cb 0.09 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 3hsf h ASN 61 CO -0.00 0.07 -1.02 0.24 -0.37 0.00 0.00 177.43 176.34 3hsf h MET 62 N 0.00 0.00 0.11 6.67 2.86 -0.45 -3.36 114.93 120.76 3hsf h MET 62 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.29 3hsf h MET 62 Cb 1.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3hsf h MET 62 CO 0.01 0.60 -1.85 1.88 1.06 0.00 0.00 176.91 178.60 3hsf h TYR 63 N 0.00 0.43 0.00 -0.22 0.05 -1.50 -3.49 116.97 112.24 3hsf h TYR 63 Ca -0.08 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.38 3hsf h TYR 63 Cb 1.63 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.35 3hsf h TYR 63 CO 0.00 1.73 0.00 0.41 -1.05 0.00 0.00 178.16 179.25 3hsf n GLY 64 N 1.89 0.50 3.68 3.88 0.00 -1.02 -5.09 105.19 109.04 3hsf n GLY 64 Ca -0.31 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 2.53 -2.41 1.61 7.02 0.95 -4.64 117.44 122.50 3hsf n TRP 65 Ca 0.00 -0.09 -0.14 0.00 -1.02 0.00 0.00 57.50 56.26 3hsf n TRP 65 Cb 0.00 -2.70 0.07 0.00 -2.42 0.00 0.00 31.31 26.26 3hsf n TRP 65 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3hsf n HIS 66 N 5.62 -3.16 -0.10 -5.99 8.25 -0.98 -3.08 115.22 115.78 3hsf n HIS 66 Ca 0.19 -1.01 -0.17 0.00 -0.26 0.00 0.00 57.72 56.47 3hsf n HIS 66 Cb 0.35 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 30.94 3hsf n HIS 66 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hsf n LYS 67 N -2.10 0.47 -3.34 -0.41 4.81 -1.26 -3.95 118.16 112.37 3hsf n LYS 67 Ca 0.10 0.14 -0.07 0.00 -0.87 0.00 0.00 58.31 57.61 3hsf n LYS 67 Cb 0.34 -1.34 0.02 0.00 0.02 0.00 0.00 35.03 34.08 3hsf n LYS 67 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3hsf n VAL 68 N -3.39 0.00 -0.08 3.15 0.24 -1.26 -4.04 118.33 112.96 3hsf n VAL 68 Ca -0.37 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.34 61.01 3hsf n VAL 68 Cb 0.84 0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 33.97 3hsf n VAL 68 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3hsf h GLN 69 N 0.00 0.50 -5.10 7.34 4.20 -1.98 -3.47 115.11 116.60 3hsf h GLN 69 Ca -0.28 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3hsf h GLN 69 Cb 1.04 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 3hsf h GLN 69 CO 0.35 0.81 -0.71 -3.47 -0.67 0.00 0.00 178.83 175.14 3hsf n ASP 70 N -4.46 -7.71 0.00 1.46 -0.08 -1.26 -5.00 116.55 99.50 3hsf n ASP 70 Ca -0.05 0.94 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 3hsf n ASP 70 Cb 0.38 -5.16 0.00 0.00 2.34 0.00 0.00 41.12 38.67 3hsf n ASP 70 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3hsf n VAL 71 N 0.18 0.00 -1.70 5.18 0.24 -1.26 -4.98 118.33 115.99 3hsf n VAL 71 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3hsf n VAL 71 Cb 0.22 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 3hsf n VAL 71 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3hsf n LYS 72 N -2.06 0.00 0.00 7.34 0.00 -1.26 -5.05 118.16 117.13 3hsf n LYS 72 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 58.31 57.82 3hsf n LYS 72 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 35.03 34.71 3hsf n LYS 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3hsf n SER 73 N 0.00 0.00 -3.55 3.14 2.88 -1.26 -4.95 113.62 109.87 3hsf n SER 73 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 3hsf n SER 73 Cb 0.57 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.08 3hsf n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsf n GLY 74 N 4.64 -1.05 2.57 0.46 0.00 -1.26 -4.97 105.19 105.58 3hsf n GLY 74 Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 3hsf n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hsf n SER 75 N -2.79 -1.98 -2.29 1.61 3.41 -1.26 -4.98 113.62 105.35 3hsf n SER 75 Ca -0.09 -2.90 -0.21 0.00 -0.26 0.00 0.00 58.87 55.41 3hsf n SER 75 Cb 0.60 0.86 0.02 0.00 -0.26 0.00 0.00 64.21 65.42 3hsf n SER 75 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3hsf n MET 76 N 2.17 3.20 -2.67 4.33 0.00 -1.26 -5.00 117.12 117.89 3hsf n MET 76 Ca 0.18 -4.14 -0.42 0.00 0.00 0.00 0.00 57.70 53.32 3hsf n MET 76 Cb 0.56 -2.13 -0.03 0.00 0.00 0.00 0.00 33.22 31.62 3hsf n MET 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hsf s LEU 77 N -3.58 3.76 -0.43 3.17 1.02 -1.26 -4.41 118.68 116.96 3hsf s LEU 77 Ca 0.46 -0.98 -0.17 0.00 0.02 0.00 0.00 54.13 53.46 3hsf s LEU 77 Cb 0.40 -2.51 0.02 0.00 0.02 0.00 0.00 46.19 44.12 3hsf s LEU 77 CO -0.04 -1.58 0.59 -1.20 0.02 0.00 0.00 176.35 174.14 3hsf n SER 78 N 8.53 -7.83 -3.83 2.29 7.64 -1.26 -5.05 113.62 114.11 3hsf n SER 78 Ca 0.10 0.52 -0.12 0.00 1.01 0.00 0.00 58.87 60.38 3hsf n SER 78 Cb 0.48 -5.19 -0.10 0.00 -1.01 0.00 0.00 64.21 58.40 3hsf n SER 78 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3hsf s ASN 79 N -2.52 -0.09 -0.41 6.43 0.02 -1.26 -5.12 114.94 111.99 3hsf s ASN 79 Ca 0.25 0.02 -0.28 0.00 -1.02 0.00 0.00 52.86 51.83 3hsf s ASN 79 Cb -0.07 0.29 0.02 0.00 0.02 0.00 0.00 41.25 41.52 3hsf s ASN 79 CO 0.78 -0.32 1.04 0.20 0.02 0.00 0.00 177.10 178.82 3hsf s ASN 80 N -1.02 6.70 0.00 -1.22 0.01 -1.26 -4.90 114.94 113.25 3hsf s ASN 80 Ca -0.11 0.59 0.00 0.00 -0.71 0.00 0.00 52.86 52.63 3hsf s ASN 80 Cb -0.06 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.09 3hsf s ASN 80 CO 0.02 -1.04 0.00 -0.90 -1.51 0.00 0.00 177.10 173.67 3hsf n ASP 81 N 7.27 0.00 -2.49 -1.22 5.68 -1.26 -5.04 116.55 119.49 3hsf n ASP 81 Ca 0.10 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.04 3hsf n ASP 81 Cb 0.48 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.52 3hsf n ASP 81 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3hsf n SER 82 N 0.00 7.15 -4.43 -1.12 2.88 -1.26 -4.96 113.62 111.89 3hsf n SER 82 Ca 0.00 -3.80 -0.32 0.00 -1.33 0.00 0.00 58.87 53.43 3hsf n SER 82 Cb 0.00 -0.90 -0.14 0.00 -0.75 0.00 0.00 64.21 62.42 3hsf n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hsf s ARG 83 N -3.86 2.24 0.16 -1.46 1.70 -1.26 -3.09 118.95 113.38 3hsf s ARG 83 Ca 0.58 -0.86 0.11 0.00 -0.47 0.00 0.00 55.73 55.09 3hsf s ARG 83 Cb 0.47 -2.22 -0.04 0.00 -0.57 0.00 0.00 34.95 32.59 3hsf s ARG 83 CO -0.15 0.58 -0.24 -1.58 -1.08 0.00 0.00 175.30 172.83 3hsf s TRP 84 N -0.77 2.34 -0.18 5.89 0.52 -0.86 -4.98 118.94 120.90 3hsf s TRP 84 Ca 0.12 -0.35 -0.04 0.00 0.02 0.00 0.00 56.10 55.85 3hsf s TRP 84 Cb -0.10 -1.21 0.06 0.00 -1.15 0.00 0.00 33.47 31.07 3hsf s TRP 84 CO 0.02 0.43 0.08 -1.83 0.02 0.00 0.00 176.95 175.67 3hsf s GLU 85 N -2.41 0.23 -0.11 4.98 -1.05 -1.26 -1.41 118.70 117.67 3hsf s GLU 85 Ca 0.18 -0.19 -0.12 0.00 -0.15 0.00 0.00 54.97 54.68 3hsf s GLU 85 Cb -0.09 -1.89 -0.05 0.00 -0.44 0.00 0.00 34.13 31.66 3hsf s GLU 85 CO 0.09 -0.68 0.29 -0.06 0.95 0.00 0.00 175.26 175.85 3hsf s PHE 86 N 2.06 3.57 0.48 4.83 0.40 -0.79 -4.28 117.98 124.25 3hsf s PHE 86 Ca 0.01 0.69 0.04 0.00 -0.60 0.00 0.00 56.93 57.08 3hsf s PHE 86 Cb -0.16 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.11 3hsf s PHE 86 CO -0.10 0.47 0.08 -2.00 0.70 0.00 0.00 175.22 174.37 3hsf s GLU 87 N -0.32 2.15 0.30 0.44 2.12 -1.25 -2.52 118.70 119.62 3hsf s GLU 87 Ca 0.18 -2.21 0.02 0.00 0.36 0.00 0.00 54.97 53.32 3hsf s GLU 87 Cb -0.14 -1.69 -0.05 0.00 0.26 0.00 0.00 34.13 32.51 3hsf s GLU 87 CO 0.07 -0.29 0.09 0.54 -0.54 0.00 0.00 175.26 175.12 3hsf s ASN 88 N -3.90 1.77 0.20 -1.70 4.22 -1.26 -2.31 114.94 111.97 3hsf s ASN 88 Ca 0.21 -1.42 0.00 0.00 -2.14 0.00 0.00 52.86 49.51 3hsf s ASN 88 Cb 0.03 0.11 0.00 0.00 1.28 0.00 0.00 41.25 42.68 3hsf s ASN 88 CO 0.11 -0.71 0.00 -0.62 -2.04 0.00 0.00 177.10 173.84 3hsf n GLU 89 N -0.59 0.00 0.00 3.55 -0.58 -1.26 -4.97 120.64 116.79 3hsf n GLU 89 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3hsf n GLU 89 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.53 3hsf n GLU 89 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3hsf n ARG 90 N -3.07 0.00 -3.52 3.49 3.00 -1.26 -3.82 116.66 111.48 3hsf n ARG 90 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 3hsf n ARG 90 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 3hsf n ARG 90 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hsf n HIS 91 N 0.00 3.39 -0.27 -0.14 8.25 -1.26 -5.18 115.22 120.01 3hsf n HIS 91 Ca 0.00 -4.17 0.00 0.00 -0.26 0.00 0.00 57.72 53.29 3hsf n HIS 91 Cb 0.00 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.55 3hsf n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98