#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 2.33 0.34 0.00 0.52 -1.26 -5.12 118.95 115.76 3hsf s ARG 2 Ca 0.00 -0.99 -0.03 0.00 -0.52 0.00 0.00 55.73 54.19 3hsf s ARG 2 Cb 0.00 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 3hsf s ARG 2 CO 0.00 0.51 0.59 -1.25 0.02 0.00 0.00 175.30 175.16 3hsf s PRO 3 N -2.42 3.58 0.27 3.54 0.04 -1.26 -4.96 135.00 133.78 3hsf s PRO 3 Ca 0.24 -0.06 0.22 0.00 0.04 0.00 0.00 61.00 61.44 3hsf s PRO 3 Cb -0.11 -2.61 1.03 0.00 0.04 0.00 0.00 34.50 32.85 3hsf s PRO 3 CO 0.16 0.13 1.66 0.00 0.04 0.00 0.00 177.00 179.00 3hsf n ALA 4 N -1.39 1.37 -0.04 8.56 0.00 -1.26 -2.64 120.51 125.11 3hsf n ALA 4 Ca -0.02 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 3hsf n ALA 4 Cb 0.55 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 3hsf n ALA 4 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hsf h PHE 5 N 0.00 0.12 -0.46 0.00 3.57 -1.97 -1.49 116.94 116.70 3hsf h PHE 5 Ca 0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3hsf h PHE 5 Cb 0.19 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3hsf h PHE 5 CO 0.00 0.92 0.25 0.28 -2.23 0.00 0.00 178.31 177.54 3hsf h VAL 6 N -0.72 1.17 -0.45 1.41 2.07 -1.91 -0.32 116.25 117.50 3hsf h VAL 6 Ca -0.02 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3hsf h VAL 6 Cb 0.97 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3hsf h VAL 6 CO 0.03 0.17 0.05 0.78 0.02 0.00 0.00 177.57 178.63 3hsf h ASN 7 N 0.61 0.66 0.53 0.57 4.21 -1.61 -1.19 115.58 119.36 3hsf h ASN 7 Ca 0.16 -0.13 -0.04 0.00 1.21 0.00 0.00 56.30 57.51 3hsf h ASN 7 Cb 0.05 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.08 3hsf h ASN 7 CO -0.03 0.69 -0.18 0.50 -1.29 0.00 0.00 177.43 177.12 3hsf h LYS 8 N 0.67 0.00 0.02 0.81 3.11 -0.46 -2.75 116.57 117.97 3hsf h LYS 8 Ca 0.14 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.78 3hsf h LYS 8 Cb 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 3hsf h LYS 8 CO 0.01 0.18 -0.93 1.25 -2.81 0.00 0.00 179.45 177.15 3hsf h LEU 9 N 0.00 0.21 0.00 5.20 5.85 0.17 -3.02 115.31 123.73 3hsf h LEU 9 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hsf h LEU 9 Cb 0.50 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3hsf h LEU 9 CO 0.02 1.03 0.00 0.79 -0.34 0.00 0.00 178.44 179.94 3hsf n TRP 10 N -3.59 0.00 -0.05 1.25 5.03 -1.04 -2.42 117.44 116.62 3hsf n TRP 10 Ca -0.03 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.45 3hsf n TRP 10 Cb 0.85 -0.46 -0.07 0.00 -1.03 0.00 0.00 31.31 30.60 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 -1.46 2.72 0.09 -0.99 2.88 -1.20 -4.29 113.62 111.37 3hsf n SER 11 Ca 0.03 -0.01 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 3hsf n SER 11 Cb 0.13 0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.00 0.00 0.00 -1.46 -0.00 -1.48 -3.26 114.93 108.73 3hsf h MET 12 Ca -0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.30 3hsf h MET 12 Cb 1.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.14 3hsf h MET 12 CO 0.01 0.82 -0.70 0.28 -0.00 0.00 0.00 176.91 177.32 3hsf h VAL 13 N 0.00 1.25 0.00 -0.10 2.07 -1.73 -3.40 116.25 114.35 3hsf h VAL 13 Ca -0.01 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.87 3hsf h VAL 13 Cb 1.62 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 3hsf h VAL 13 CO 0.11 0.69 0.00 0.59 0.02 0.00 0.00 177.57 178.97 3hsf n ASN 14 N -3.34 0.00 0.00 0.57 5.03 -1.23 -3.92 115.26 112.38 3hsf n ASN 14 Ca 0.01 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.54 3hsf n ASN 14 Cb 0.79 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.55 3hsf n ASN 14 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3hsf n ASP 15 N -0.09 0.00 -0.12 6.41 5.75 -1.26 -4.64 116.55 122.60 3hsf n ASP 15 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 3hsf n ASP 15 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 3hsf n ASP 15 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3hsf h LYS 16 N 0.00 -0.31 0.60 0.11 3.64 -1.93 1.13 116.57 119.81 3hsf h LYS 16 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3hsf h LYS 16 Cb 0.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3hsf h LYS 16 CO 0.00 -0.21 -0.39 0.77 -2.27 0.00 0.00 179.45 177.35 3hsf h SER 17 N -0.32 -1.00 -2.89 4.20 0.02 -1.93 -3.29 113.55 108.35 3hsf h SER 17 Ca 0.06 0.06 -0.69 0.00 -0.84 0.00 0.00 61.79 60.39 3hsf h SER 17 Cb 0.49 0.30 -0.36 0.00 0.14 0.00 0.00 62.40 62.96 3hsf h SER 17 CO -0.49 -0.60 -0.11 -0.46 -1.14 0.00 0.00 176.83 174.03 3hsf n ASN 18 N -5.52 4.41 -4.57 3.07 0.23 -1.04 -5.00 115.26 106.85 3hsf n ASN 18 Ca -0.13 -3.29 -0.35 0.00 -0.53 0.00 0.00 54.58 50.29 3hsf n ASN 18 Cb 0.41 -0.96 -0.04 0.00 -2.08 0.00 0.00 39.78 37.12 3hsf n ASN 18 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3hsf s GLU 19 N -1.99 3.15 0.00 -3.83 -6.30 0.39 -2.47 118.70 107.64 3hsf s GLU 19 Ca 0.32 -1.15 0.00 0.00 -2.50 0.00 0.00 54.97 51.63 3hsf s GLU 19 Cb 0.02 -5.30 0.00 0.00 0.00 0.00 0.00 34.13 28.85 3hsf s GLU 19 CO -0.05 -2.98 0.00 1.17 0.02 0.00 0.00 175.26 173.42 3hsf n LYS 20 N 8.60 0.00 -4.17 4.30 4.81 -1.26 -5.06 118.16 125.37 3hsf n LYS 20 Ca 0.42 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.62 3hsf n LYS 20 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.46 3hsf n LYS 20 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3hsf s PHE 21 N 0.00 2.96 0.36 5.64 0.08 -1.03 -5.03 117.98 120.96 3hsf s PHE 21 Ca 0.00 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.93 3hsf s PHE 21 Cb 0.00 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 3hsf s PHE 21 CO 0.00 0.54 0.00 1.51 -0.10 0.00 0.00 175.22 177.17 3hsf n ILE 22 N -0.65 -0.48 0.00 0.64 3.06 -1.26 -4.84 119.36 115.83 3hsf n ILE 22 Ca -0.08 0.53 0.00 0.00 -2.50 0.00 0.00 62.75 60.70 3hsf n ILE 22 Cb 0.57 -0.82 0.00 0.00 0.54 0.00 0.00 39.64 39.92 3hsf n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hsf n HIS 23 N -3.75 0.00 -1.69 9.51 1.44 -1.24 -4.88 115.22 114.61 3hsf n HIS 23 Ca -0.05 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.36 3hsf n HIS 23 Cb 0.45 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.72 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 -2.00 1.94 0.00 -1.40 0.52 -1.26 -2.37 118.94 114.37 3hsf s TRP 24 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 56.10 56.70 3hsf s TRP 24 Cb 0.00 -3.70 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 3hsf s TRP 24 CO 0.00 -2.59 0.00 -1.13 0.02 0.00 0.00 176.95 173.25 3hsf n SER 25 N -3.83 -0.10 -0.30 2.95 3.41 0.17 -4.70 113.62 111.21 3hsf n SER 25 Ca 0.11 -0.69 0.07 0.00 -0.26 0.00 0.00 58.87 58.10 3hsf n SER 25 Cb 0.60 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.65 3hsf n SER 25 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hsf n THR 26 N -1.55 1.37 -2.69 6.66 -1.04 -1.26 -4.92 114.28 110.84 3hsf n THR 26 Ca 0.00 -1.76 -0.01 0.00 -2.04 0.00 0.00 64.05 60.24 3hsf n THR 26 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3hsf n THR 26 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hsf s SER 27 N -2.41 -0.21 0.00 8.00 1.04 -1.26 -5.13 113.70 113.72 3hsf s SER 27 Ca 0.25 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3hsf s SER 27 Cb 0.23 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3hsf s SER 27 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82 3hsf n GLY 28 N 3.03 0.06 2.55 7.32 0.00 -1.26 -4.90 105.19 111.99 3hsf n GLY 28 Ca 0.08 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 3hsf n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hsf s GLU 29 N -0.06 0.79 0.02 1.61 0.41 -1.26 -4.90 118.70 115.32 3hsf s GLU 29 Ca 0.00 -1.50 0.00 0.00 -0.41 0.00 0.00 54.97 53.06 3hsf s GLU 29 Cb 0.00 -1.02 -0.02 0.00 -1.78 0.00 0.00 34.13 31.31 3hsf s GLU 29 CO 0.00 -1.30 -0.03 0.45 -0.49 0.00 0.00 175.26 173.89 3hsf s SER 30 N 0.71 0.28 -0.15 -0.19 0.15 -1.26 -4.69 113.70 108.55 3hsf s SER 30 Ca 0.26 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.40 3hsf s SER 30 Cb -0.07 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 3hsf s SER 30 CO -0.09 -0.26 0.03 -0.63 1.20 0.00 0.00 173.24 173.49 3hsf s ILE 31 N -1.30 4.56 0.20 6.45 1.01 -0.98 -0.66 121.20 130.49 3hsf s ILE 31 Ca -0.14 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3hsf s ILE 31 Cb -0.09 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3hsf s ILE 31 CO -0.01 0.52 0.02 -0.69 0.00 0.00 0.00 174.94 174.78 3hsf s VAL 32 N -0.07 3.77 -0.35 2.92 1.01 -1.00 -1.80 120.40 124.89 3hsf s VAL 32 Ca 0.05 -1.52 -0.00 0.00 0.00 0.00 0.00 61.98 60.51 3hsf s VAL 32 Cb -0.12 -2.94 0.12 0.00 0.00 0.00 0.00 36.38 33.43 3hsf s VAL 32 CO 0.01 -0.20 0.16 -0.69 0.00 0.00 0.00 175.10 174.39 3hsf s VAL 33 N -1.91 0.79 0.17 2.92 1.01 -0.71 -3.71 120.40 118.96 3hsf s VAL 33 Ca 0.29 -1.68 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 3hsf s VAL 33 Cb -0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3hsf s VAL 33 CO 0.20 -0.79 1.51 1.55 0.00 0.00 0.00 175.10 177.56 3hsf h PRO 34 N 7.60 0.75 -3.12 2.72 0.13 -1.86 -2.97 132.00 135.25 3hsf h PRO 34 Ca -0.08 -0.42 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 3hsf h PRO 34 Cb 0.98 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.74 3hsf h PRO 34 CO 0.44 1.04 -0.77 -0.80 -0.23 0.00 0.00 178.00 177.68 3hsf s ASN 35 N -6.88 3.67 -0.03 1.44 -0.87 -1.26 -4.64 114.94 106.37 3hsf s ASN 35 Ca -0.09 -1.88 -0.11 0.00 -1.57 0.00 0.00 52.86 49.21 3hsf s ASN 35 Cb 0.11 -0.72 -0.31 0.00 -0.02 0.00 0.00 41.25 40.31 3hsf s ASN 35 CO 0.86 -0.37 0.72 -0.09 -2.57 0.00 0.00 177.10 175.65 3hsf h ARG 36 N 7.67 0.41 -0.01 -0.60 1.12 -1.78 -2.29 114.38 118.90 3hsf h ARG 36 Ca -0.09 -0.70 -0.04 0.00 -1.11 0.00 0.00 59.98 58.05 3hsf h ARG 36 Cb 0.99 0.26 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 3hsf h ARG 36 CO 0.43 1.32 -0.19 1.49 -3.11 0.00 0.00 179.97 179.91 3hsf h GLU 37 N 0.11 0.02 0.15 0.20 4.81 -1.93 -1.95 114.58 115.98 3hsf h GLU 37 Ca -0.33 -0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.55 3hsf h GLU 37 Cb 2.11 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.48 3hsf h GLU 37 CO 0.19 0.21 -1.84 -0.09 -0.73 0.00 0.00 179.01 176.75 3hsf h ARG 38 N 0.02 0.31 0.10 1.92 2.43 -1.98 -3.23 114.38 113.94 3hsf h ARG 38 Ca 0.00 -0.52 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3hsf h ARG 38 Cb 0.35 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3hsf h ARG 38 CO 0.03 1.25 -0.06 0.35 -1.51 0.00 0.00 179.97 180.03 3hsf h PHE 39 N 0.03 -0.16 -1.05 2.20 3.57 -1.25 -2.70 116.94 117.58 3hsf h PHE 39 Ca -0.38 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.39 3hsf h PHE 39 Cb 2.02 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 40.72 3hsf h PHE 39 CO 0.09 -0.09 0.67 0.28 -2.23 0.00 0.00 178.31 177.04 3hsf h VAL 40 N -0.15 0.51 0.39 1.41 2.07 -1.57 -0.77 116.25 118.14 3hsf h VAL 40 Ca -0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hsf h VAL 40 Cb 0.12 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3hsf h VAL 40 CO 0.02 0.07 -0.27 1.56 0.02 0.00 0.00 177.57 178.97 3hsf h GLN 41 N 0.39 -0.62 -0.87 1.57 1.08 -1.53 -2.71 115.11 112.42 3hsf h GLN 41 Ca 0.60 0.04 -0.59 0.00 -1.45 0.00 0.00 58.65 57.26 3hsf h GLN 41 Cb 1.54 0.14 -0.39 0.00 -0.05 0.00 0.00 27.48 28.72 3hsf h GLN 41 CO -0.31 -0.42 -0.32 0.39 -0.95 0.00 0.00 178.83 177.23 3hsf n GLU 42 N -5.40 3.34 0.00 1.46 1.02 -0.83 -4.66 120.64 115.57 3hsf n GLU 42 Ca -0.10 -3.93 0.00 0.00 -0.02 0.00 0.00 57.16 53.11 3hsf n GLU 42 Cb 0.30 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 -0.76 0.00 -0.03 2.62 0.31 -0.36 -4.86 118.33 115.26 3hsf n VAL 43 Ca 0.49 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.70 3hsf n VAL 43 Cb 0.86 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.71 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 0.16 -1.69 7.52 5.85 -1.58 -3.01 115.31 122.57 3hsf h LEU 44 Ca 0.00 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hsf h LEU 44 Cb 0.00 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3hsf h LEU 44 CO 0.00 0.50 -0.16 1.55 -0.34 0.00 0.00 178.44 179.99 3hsf h PRO 45 N -0.17 0.00 0.00 5.25 0.13 -1.80 -1.86 132.00 133.55 3hsf h PRO 45 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 3hsf h PRO 45 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 3hsf h PRO 45 CO 0.01 0.16 -0.19 -0.22 -0.23 0.00 0.00 178.00 177.52 3hsf h LYS 46 N 0.00 0.00 0.00 0.86 3.64 -1.86 -3.27 116.57 115.94 3hsf h LYS 46 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hsf h LYS 46 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3hsf h LYS 46 CO 0.02 0.19 -0.25 1.88 -2.27 0.00 0.00 179.45 179.02 3hsf h TYR 47 N 0.00 0.00 -1.30 1.91 -1.99 -1.31 -3.48 116.97 110.79 3hsf h TYR 47 Ca -0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.27 3hsf h TYR 47 Cb 0.39 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.13 3hsf h TYR 47 CO 0.00 0.00 -0.26 -0.06 -0.00 0.00 0.00 178.16 177.84 3hsf s PHE 48 N -1.87 2.49 -0.16 4.88 0.08 -1.03 -5.05 117.98 117.32 3hsf s PHE 48 Ca -0.07 -0.50 -0.13 0.00 0.12 0.00 0.00 56.93 56.35 3hsf s PHE 48 Cb 0.01 -2.29 -0.23 0.00 -0.57 0.00 0.00 43.02 39.94 3hsf s PHE 48 CO 0.11 -0.49 0.29 0.36 -0.10 0.00 0.00 175.22 175.38 3hsf n LYS 49 N -1.85 0.67 -3.42 0.44 2.85 -1.26 -4.54 118.16 111.04 3hsf n LYS 49 Ca 0.08 0.40 -0.26 0.00 -1.05 0.00 0.00 58.31 57.47 3hsf n LYS 49 Cb 0.60 -1.72 -0.09 0.00 -0.65 0.00 0.00 35.03 33.17 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3hsf n HIS 50 N -3.90 0.93 -4.14 5.58 8.25 -1.26 -5.00 115.22 115.68 3hsf n HIS 50 Ca -0.33 -3.74 -0.15 0.00 -0.26 0.00 0.00 57.72 53.24 3hsf n HIS 50 Cb 0.89 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 31.63 3hsf n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hsf s SER 51 N -1.13 1.34 0.21 0.41 0.15 -1.26 -5.12 113.70 108.30 3hsf s SER 51 Ca 0.34 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3hsf s SER 51 Cb 0.09 -0.00 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 3hsf s SER 51 CO -0.13 -0.17 0.06 0.20 1.20 0.00 0.00 173.24 174.40 3hsf s ASN 52 N -1.88 1.02 0.43 5.45 0.02 -1.26 -4.70 114.94 114.02 3hsf s ASN 52 Ca -0.03 -1.29 0.22 0.00 -1.02 0.00 0.00 52.86 50.74 3hsf s ASN 52 Cb -0.08 0.18 1.19 0.00 0.02 0.00 0.00 41.25 42.56 3hsf s ASN 52 CO 0.01 -0.68 1.80 2.19 0.02 0.00 0.00 177.10 180.44 3hsf h PHE 53 N 2.57 0.49 -0.19 2.20 -5.15 -2.00 -0.25 116.94 114.61 3hsf h PHE 53 Ca -0.37 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.41 3hsf h PHE 53 Cb 1.23 -0.14 -0.01 0.00 0.22 0.00 0.00 35.95 37.24 3hsf h PHE 53 CO 0.47 0.06 0.09 0.00 -2.00 0.00 0.00 178.31 176.94 3hsf h ALA 54 N 1.58 0.25 -0.31 12.09 0.00 -2.00 -2.36 119.26 128.50 3hsf h ALA 54 Ca 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 3hsf h ALA 54 Cb 1.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3hsf h ALA 54 CO -0.21 -0.19 0.05 1.03 0.00 0.00 0.00 179.25 179.93 3hsf h SER 55 N 0.19 0.42 -0.44 0.00 0.87 -1.46 -2.52 113.55 110.60 3hsf h SER 55 Ca 0.07 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3hsf h SER 55 Cb 0.11 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3hsf h SER 55 CO -0.01 0.45 0.23 0.15 -0.53 0.00 0.00 176.83 177.12 3hsf h PHE 56 N 0.45 0.62 -0.23 2.24 3.57 -0.96 -2.35 116.94 120.29 3hsf h PHE 56 Ca 0.10 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3hsf h PHE 56 Cb 0.22 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3hsf h PHE 56 CO 0.01 0.48 -0.11 0.28 -2.23 0.00 0.00 178.31 176.74 3hsf h VAL 57 N 0.58 1.20 0.10 1.41 2.07 -1.03 -2.56 116.25 118.03 3hsf h VAL 57 Ca 0.15 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3hsf h VAL 57 Cb 0.08 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hsf h VAL 57 CO -0.02 0.28 -0.05 -0.09 0.02 0.00 0.00 177.57 177.71 3hsf h ARG 58 N 0.35 -0.13 -0.53 1.57 9.65 -1.06 -1.73 114.38 122.50 3hsf h ARG 58 Ca 0.07 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3hsf h ARG 58 Cb 0.42 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 3hsf h ARG 58 CO 0.02 -0.01 0.35 1.96 2.80 0.00 0.00 179.97 185.10 3hsf h GLN 59 N -0.22 0.70 0.00 0.20 7.50 -1.34 -1.77 115.11 120.18 3hsf h GLN 59 Ca -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 3hsf h GLN 59 Cb 0.18 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.55 3hsf h GLN 59 CO 0.02 0.47 -0.04 -0.07 -1.50 0.00 0.00 178.83 177.71 3hsf h LEU 60 N 0.72 0.00 0.00 1.46 3.38 -1.29 -1.89 115.31 117.69 3hsf h LEU 60 Ca 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3hsf h LEU 60 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3hsf h LEU 60 CO -0.04 0.04 -0.75 -1.13 0.09 0.00 0.00 178.44 176.64 3hsf h ASN 61 N 0.00 0.00 0.67 -0.43 -0.73 -0.49 -0.81 115.58 113.80 3hsf h ASN 61 Ca -0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 3hsf h ASN 61 Cb 0.07 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 3hsf h ASN 61 CO 0.00 0.56 -0.49 -0.03 -0.37 0.00 0.00 177.43 177.11 3hsf h MET 62 N 0.00 0.00 0.06 6.67 4.05 -0.67 -3.29 114.93 121.76 3hsf h MET 62 Ca -0.04 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.01 3hsf h MET 62 Cb 1.46 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.23 3hsf h MET 62 CO 0.07 0.49 -2.10 0.66 0.23 0.00 0.00 176.91 176.25 3hsf n TYR 63 N -3.73 0.74 0.00 1.39 4.01 -1.15 -5.04 117.16 113.38 3hsf n TYR 63 Ca -0.01 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3hsf n TYR 63 Cb 0.54 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 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 1.94 0.78 3.14 2.72 0.00 -0.84 -5.04 105.19 107.89 3hsf n GLY 64 Ca -0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.17 0.89 1.61 0.52 -0.37 -4.09 118.94 116.34 3hsf s TRP 65 Ca 0.00 1.44 -0.13 0.00 0.02 0.00 0.00 56.10 57.43 3hsf s TRP 65 Cb 0.00 0.36 0.16 0.00 -1.15 0.00 0.00 33.47 32.84 3hsf s TRP 65 CO 0.00 -0.74 1.25 -1.01 0.02 0.00 0.00 176.95 176.47 3hsf s HIS 66 N 2.71 1.97 0.00 -1.98 3.76 -0.83 -4.39 115.29 116.54 3hsf s HIS 66 Ca 0.12 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 3hsf s HIS 66 Cb -0.14 -3.85 0.00 0.00 1.11 0.00 0.00 32.58 29.70 3hsf s HIS 66 CO -0.18 -2.32 0.81 0.36 -0.85 0.00 0.00 174.74 172.57 3hsf n LYS 67 N -3.55 0.00 -0.63 1.40 -0.00 -1.26 -3.54 118.16 110.58 3hsf n LYS 67 Ca 0.13 -0.68 0.09 0.00 -0.00 0.00 0.00 58.31 57.85 3hsf n LYS 67 Cb 0.60 0.36 -0.02 0.00 -0.00 0.00 0.00 35.03 35.97 3hsf n LYS 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3hsf n VAL 68 N 0.00 0.00 -3.86 0.58 0.31 -1.26 -4.42 118.33 109.69 3hsf n VAL 68 Ca -0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.85 3hsf n VAL 68 Cb 0.62 -0.22 -0.12 0.00 -0.91 0.00 0.00 33.84 33.21 3hsf n VAL 68 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3hsf s GLN 69 N -1.01 2.10 0.34 5.55 -1.52 -1.26 -4.93 119.66 118.92 3hsf s GLN 69 Ca 0.00 -2.93 0.02 0.00 -1.95 0.00 0.00 55.36 50.50 3hsf s GLN 69 Cb 0.00 -3.13 0.61 0.00 -0.22 0.00 0.00 33.01 30.26 3hsf s GLN 69 CO 0.00 -1.24 1.97 0.22 -0.25 0.00 0.00 175.29 175.99 3hsf h ASP 70 N 5.83 0.69 0.00 5.90 1.82 -1.96 -3.37 116.42 125.33 3hsf h ASP 70 Ca 0.08 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 3hsf h ASP 70 Cb 0.82 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.65 3hsf h ASP 70 CO 0.66 0.56 0.00 0.52 -1.61 0.00 0.00 179.24 179.37 3hsf n VAL 71 N -4.40 0.00 -2.85 2.25 0.31 -1.26 -4.98 118.33 107.41 3hsf n VAL 71 Ca 0.05 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3hsf n VAL 71 Cb 0.10 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 3hsf n VAL 71 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3hsf n LYS 72 N 0.00 0.00 0.00 5.55 4.81 -1.26 -4.77 118.16 122.48 3hsf n LYS 72 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hsf n LYS 72 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3hsf n LYS 72 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3hsf n SER 73 N -3.43 0.00 -3.77 3.14 7.64 -1.26 -4.92 113.62 111.02 3hsf n SER 73 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3hsf n SER 73 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 3.55 -0.96 2.63 0.23 0.00 -1.26 -4.01 105.19 105.37 3hsf n GLY 74 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 3hsf n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hsf n SER 75 N -2.56 -1.19 -1.04 1.61 2.88 -1.26 -4.93 113.62 107.13 3hsf n SER 75 Ca -0.10 1.35 -0.03 0.00 -1.33 0.00 0.00 58.87 58.76 3hsf n SER 75 Cb 0.58 -5.14 0.18 0.00 -0.75 0.00 0.00 64.21 59.08 3hsf n SER 75 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 3hsf n MET 76 N 1.68 2.00 0.03 -1.46 0.00 -1.26 -4.43 117.12 113.67 3hsf n MET 76 Ca -0.38 -3.40 -0.12 0.00 0.00 0.00 0.00 57.70 53.79 3hsf n MET 76 Cb 0.59 -1.80 -0.14 0.00 0.00 0.00 0.00 33.22 31.88 3hsf n MET 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3hsf h LEU 77 N 1.20 0.18 -4.98 3.17 3.38 -1.94 -3.42 115.31 112.89 3hsf h LEU 77 Ca 0.14 -0.28 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 3hsf h LEU 77 Cb 1.29 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.85 3hsf h LEU 77 CO 0.28 1.24 -0.20 -1.54 0.09 0.00 0.00 178.44 178.31 3hsf n SER 78 N -3.29 -1.68 -4.15 -0.43 3.41 -1.26 -5.13 113.62 101.08 3hsf n SER 78 Ca -0.15 -2.23 -0.24 0.00 -0.26 0.00 0.00 58.87 56.00 3hsf n SER 78 Cb 1.03 1.00 -0.15 0.00 -0.26 0.00 0.00 64.21 65.82 3hsf n SER 78 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hsf s ASN 79 N -0.92 1.95 0.18 4.04 3.84 -1.26 -5.02 114.94 117.75 3hsf s ASN 79 Ca 0.17 -0.31 0.00 0.00 0.21 0.00 0.00 52.86 52.92 3hsf s ASN 79 Cb 0.31 -0.21 0.00 0.00 -0.55 0.00 0.00 41.25 40.80 3hsf s ASN 79 CO -0.07 0.20 0.00 0.59 -2.79 0.00 0.00 177.10 175.03 3hsf n ASN 80 N 2.62 -1.22 -1.45 -4.21 4.13 -1.26 -4.94 115.26 108.94 3hsf n ASN 80 Ca -0.15 0.34 0.19 0.00 1.68 0.00 0.00 54.58 56.65 3hsf n ASN 80 Cb 0.54 1.33 -0.06 0.00 -1.54 0.00 0.00 39.78 40.06 3hsf n ASN 80 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3hsf n ASP 81 N -2.94 -8.66 -2.96 6.41 9.92 -1.26 -4.84 116.55 112.21 3hsf n ASP 81 Ca 0.00 0.80 -0.16 0.00 -0.53 0.00 0.00 54.79 54.91 3hsf n ASP 81 Cb 0.00 -4.54 -0.01 0.00 -0.64 0.00 0.00 41.12 35.93 3hsf n ASP 81 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3hsf n SER 82 N -4.29 -1.50 -3.60 -2.24 7.64 -1.26 -5.04 113.62 103.34 3hsf n SER 82 Ca -0.01 -2.99 -0.29 0.00 1.01 0.00 0.00 58.87 56.58 3hsf n SER 82 Cb 0.67 0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 64.39 3hsf n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3hsf s ARG 83 N -0.14 0.33 0.20 1.43 3.52 -1.26 -4.03 118.95 118.99 3hsf s ARG 83 Ca 0.33 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 3hsf s ARG 83 Cb 0.19 -1.42 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 3hsf s ARG 83 CO -0.18 -0.99 0.36 -1.58 -0.81 0.00 0.00 175.30 172.10 3hsf s TRP 84 N 1.97 3.48 0.35 5.12 0.52 -1.12 -4.96 118.94 124.31 3hsf s TRP 84 Ca 0.09 0.21 0.04 0.00 0.02 0.00 0.00 56.10 56.45 3hsf s TRP 84 Cb -0.16 -1.75 -0.06 0.00 -1.15 0.00 0.00 33.47 30.35 3hsf s TRP 84 CO -0.32 0.42 0.06 -1.21 0.02 0.00 0.00 176.95 175.92 3hsf s GLU 85 N -3.46 1.75 -0.29 4.98 2.02 -1.26 -1.74 118.70 120.70 3hsf s GLU 85 Ca 0.36 -2.00 0.03 0.00 0.02 0.00 0.00 54.97 53.38 3hsf s GLU 85 Cb -0.11 -0.94 0.17 0.00 0.10 0.00 0.00 34.13 33.36 3hsf s GLU 85 CO 0.29 -0.22 0.47 -0.06 0.02 0.00 0.00 175.26 175.76 3hsf s PHE 86 N -3.21 -1.27 0.53 1.61 0.08 -0.74 -4.35 117.98 110.63 3hsf s PHE 86 Ca 0.33 0.66 0.05 0.00 0.12 0.00 0.00 56.93 58.09 3hsf s PHE 86 Cb 0.08 0.03 0.03 0.00 -0.57 0.00 0.00 43.02 42.59 3hsf s PHE 86 CO 0.15 -0.99 0.35 -1.21 -0.10 0.00 0.00 175.22 173.42 3hsf s GLU 87 N 2.64 2.26 0.82 0.44 2.02 -1.23 -2.32 118.70 123.33 3hsf s GLU 87 Ca 0.11 -2.03 -0.11 0.00 0.02 0.00 0.00 54.97 52.96 3hsf s GLU 87 Cb -0.12 -2.04 0.09 0.00 0.10 0.00 0.00 34.13 32.15 3hsf s GLU 87 CO -0.27 -0.54 1.12 1.21 0.02 0.00 0.00 175.26 176.79 3hsf s ASN 88 N -4.21 3.90 0.00 -0.19 3.84 -1.26 -1.96 114.94 115.06 3hsf s ASN 88 Ca 0.32 2.00 0.00 0.00 0.21 0.00 0.00 52.86 55.39 3hsf s ASN 88 Cb -0.01 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3hsf s ASN 88 CO 0.20 -2.45 0.00 1.21 -2.79 0.00 0.00 177.10 173.27 3hsf n GLU 89 N -3.70 0.00 -3.53 0.43 2.13 -1.26 -4.20 120.64 110.50 3hsf n GLU 89 Ca 0.10 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.80 3hsf n GLU 89 Cb 0.52 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.21 3hsf n GLU 89 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hsf n ARG 90 N 0.00 0.55 -3.47 5.31 1.74 -1.26 -4.97 116.66 114.56 3hsf n ARG 90 Ca 0.00 -2.29 -0.18 0.00 -0.77 0.00 0.00 57.85 54.61 3hsf n ARG 90 Cb 0.00 2.18 -0.12 0.00 -1.02 0.00 0.00 32.46 33.50 3hsf n ARG 90 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3hsf s HIS 91 N -3.31 -0.29 -2.90 -1.55 3.76 -1.26 -5.03 115.29 104.72 3hsf s HIS 91 Ca 0.24 0.10 0.25 0.00 -0.15 0.00 0.00 55.06 55.49 3hsf s HIS 91 Cb -0.01 -0.40 0.37 0.00 1.11 0.00 0.00 32.58 33.65 3hsf s HIS 91 CO 0.17 -0.68 1.36 0.00 -0.85 0.00 0.00 174.74 174.74