#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsf h ARG 2 N 0.00 0.33 -5.84 0.00 3.08 -2.06 -3.42 114.38 106.47 3hsf h ARG 2 Ca 0.00 -0.56 -0.59 0.00 0.07 0.00 0.00 59.98 58.89 3hsf h ARG 2 Cb 0.00 0.21 -0.12 0.00 0.08 0.00 0.00 29.97 30.14 3hsf h ARG 2 CO 0.00 1.27 0.86 -1.25 -1.07 0.00 0.00 179.97 179.78 3hsf s PRO 3 N -2.49 3.22 0.55 0.04 0.04 -1.26 -4.84 135.00 130.26 3hsf s PRO 3 Ca -0.16 -0.69 0.26 0.00 0.04 0.00 0.00 61.00 60.46 3hsf s PRO 3 Cb 0.03 -4.36 1.57 0.00 0.04 0.00 0.00 34.50 31.78 3hsf s PRO 3 CO 0.83 -1.98 2.16 0.00 0.04 0.00 0.00 177.00 178.04 3hsf h ALA 4 N 9.72 1.52 -0.31 8.56 0.00 -2.01 -1.23 119.26 135.51 3hsf h ALA 4 Ca -0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3hsf h ALA 4 Cb 1.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3hsf h ALA 4 CO 1.24 0.07 -0.25 0.35 0.00 0.00 0.00 179.25 180.66 3hsf h PHE 5 N 0.00 0.70 -0.18 0.00 3.57 -1.99 -2.50 116.94 116.54 3hsf h PHE 5 Ca -0.00 -0.16 -0.14 0.00 3.53 0.00 0.00 57.97 61.20 3hsf h PHE 5 Cb 0.14 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3hsf h PHE 5 CO 0.00 0.81 -0.49 0.28 -2.23 0.00 0.00 178.31 176.68 3hsf h VAL 6 N 0.54 1.32 -0.09 1.41 2.07 -1.63 -0.82 116.25 119.04 3hsf h VAL 6 Ca 0.07 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 3hsf h VAL 6 Cb 0.72 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3hsf h VAL 6 CO 0.06 0.53 0.05 0.78 0.02 0.00 0.00 177.57 179.01 3hsf h ASN 7 N 0.39 0.12 1.25 0.57 4.21 -1.18 -2.18 115.58 118.75 3hsf h ASN 7 Ca 0.02 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.44 3hsf h ASN 7 Cb 1.00 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 38.17 3hsf h ASN 7 CO 0.09 0.16 -0.07 0.07 -1.29 0.00 0.00 177.43 176.39 3hsf h LYS 8 N 0.06 0.00 -0.44 0.81 2.10 -1.40 -3.09 116.57 114.61 3hsf h LYS 8 Ca 0.03 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.54 3hsf h LYS 8 Cb 0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 3hsf h LYS 8 CO -0.01 0.07 -0.28 1.25 -2.00 0.00 0.00 179.45 178.48 3hsf h LEU 9 N 0.00 1.01 0.00 7.07 5.85 -0.55 -2.53 115.31 126.16 3hsf h LEU 9 Ca -0.00 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3hsf h LEU 9 Cb 0.71 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3hsf h LEU 9 CO 0.01 1.21 0.00 0.79 -0.34 0.00 0.00 178.44 180.11 3hsf n TRP 10 N -4.10 0.00 -0.04 1.25 5.03 -0.90 -2.26 117.44 116.41 3hsf n TRP 10 Ca -0.01 0.00 -0.11 0.00 3.03 0.00 0.00 57.50 60.41 3hsf n TRP 10 Cb 0.49 -0.41 -0.14 0.00 -1.03 0.00 0.00 31.31 30.21 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 -1.41 0.95 -0.01 -0.99 7.64 -0.96 -3.84 113.62 115.00 3hsf n SER 11 Ca 0.05 0.29 -0.16 0.00 1.01 0.00 0.00 58.87 60.06 3hsf n SER 11 Cb 0.16 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.21 3hsf n SER 11 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3hsf n MET 12 N -3.07 0.71 0.00 1.43 0.00 -1.15 -3.94 117.12 111.10 3hsf n MET 12 Ca -0.23 0.26 0.09 0.00 0.00 0.00 0.00 57.70 57.82 3hsf n MET 12 Cb 1.07 -1.73 0.42 0.00 0.00 0.00 0.00 33.22 32.98 3hsf n MET 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3hsf n VAL 13 N -3.29 0.64 0.33 3.17 0.31 -0.96 -2.95 118.33 115.57 3hsf n VAL 13 Ca -0.27 0.16 0.21 0.00 -0.01 0.00 0.00 64.34 64.43 3hsf n VAL 13 Cb 1.05 -0.85 1.11 0.00 -0.91 0.00 0.00 33.84 34.24 3hsf n VAL 13 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hsf h ASN 14 N 0.00 0.00 -3.14 4.52 7.08 -1.68 -3.43 115.58 118.93 3hsf h ASN 14 Ca 0.00 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.02 3hsf h ASN 14 Cb 0.26 0.00 0.06 0.00 -2.08 0.00 0.00 38.32 36.56 3hsf h ASN 14 CO 0.00 0.00 -0.32 0.47 -2.08 0.00 0.00 177.43 175.50 3hsf n ASP 15 N -3.18 -4.06 -0.01 6.14 8.00 -1.15 -4.97 116.55 117.31 3hsf n ASP 15 Ca -0.03 -0.23 -0.01 0.00 0.71 0.00 0.00 54.79 55.23 3hsf n ASP 15 Cb 0.13 -2.70 -0.00 0.00 -0.02 0.00 0.00 41.12 38.53 3hsf n ASP 15 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hsf n LYS 16 N -2.61 0.08 -0.11 -1.24 5.02 -1.26 -3.74 118.16 114.30 3hsf n LYS 16 Ca -0.01 0.21 0.08 0.00 -2.02 0.00 0.00 58.31 56.57 3hsf n LYS 16 Cb 0.54 -0.83 0.30 0.00 -0.02 0.00 0.00 35.03 35.02 3hsf n LYS 16 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hsf n SER 17 N -2.72 1.55 -1.57 4.39 2.88 -1.26 -3.81 113.62 113.08 3hsf n SER 17 Ca -0.02 -1.80 0.03 0.00 -1.33 0.00 0.00 58.87 55.76 3hsf n SER 17 Cb 0.06 -0.14 0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3hsf n SER 17 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3hsf n ASN 18 N 0.28 1.16 -4.57 -3.46 3.02 -1.26 -5.02 115.26 105.40 3hsf n ASN 18 Ca 0.14 -2.18 -0.25 0.00 -0.03 0.00 0.00 54.58 52.26 3hsf n ASN 18 Cb 0.28 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 3hsf n ASN 18 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hsf s GLU 19 N -0.70 2.32 0.00 3.52 -1.05 -1.25 -2.69 118.70 118.86 3hsf s GLU 19 Ca 0.34 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 3hsf s GLU 19 Cb 0.38 -5.11 0.00 0.00 -0.44 0.00 0.00 34.13 28.97 3hsf s GLU 19 CO -0.15 -3.92 0.00 1.17 0.95 0.00 0.00 175.26 173.31 3hsf n LYS 20 N 8.55 0.00 -0.03 -4.83 4.81 -1.26 -4.97 118.16 120.43 3hsf n LYS 20 Ca 0.43 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.89 3hsf n LYS 20 Cb 0.46 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.36 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3hsf n PHE 21 N 0.00 0.15 -3.91 5.64 3.72 -1.09 -4.81 117.46 117.15 3hsf n PHE 21 Ca 0.00 0.05 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 3hsf n PHE 21 Cb 0.00 -0.76 -0.09 0.00 -0.94 0.00 0.00 39.48 37.69 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 -3.08 0.13 -0.11 4.37 2.07 -1.25 -4.11 121.20 119.22 3hsf s ILE 22 Ca -0.08 -1.07 -0.30 0.00 -1.41 0.00 0.00 60.65 57.79 3hsf s ILE 22 Cb 0.10 -0.93 0.11 0.00 0.13 0.00 0.00 42.46 41.87 3hsf s ILE 22 CO 0.87 -0.59 0.88 -1.38 -1.91 0.00 0.00 174.94 172.81 3hsf s HIS 23 N -2.68 -0.47 0.39 3.50 -3.43 -1.19 -4.75 115.29 106.66 3hsf s HIS 23 Ca -0.04 0.76 -0.26 0.00 -0.80 0.00 0.00 55.06 54.73 3hsf s HIS 23 Cb -0.01 0.44 -0.09 0.00 -1.43 0.00 0.00 32.58 31.50 3hsf s HIS 23 CO -0.05 -0.45 1.18 -1.58 -2.00 0.00 0.00 174.74 171.84 3hsf s TRP 24 N -1.29 3.08 0.00 0.38 0.52 -1.26 -2.47 118.94 117.89 3hsf s TRP 24 Ca -0.04 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.63 3hsf s TRP 24 Cb -0.00 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.91 3hsf s TRP 24 CO 0.03 -1.33 0.00 -1.13 0.02 0.00 0.00 176.95 174.54 3hsf n SER 25 N 0.17 0.00 -4.76 2.95 3.41 -1.02 -4.89 113.62 109.48 3hsf n SER 25 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 3hsf n SER 25 Cb 0.46 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3hsf n SER 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hsf s THR 26 N 1.08 2.21 0.24 6.66 2.01 -1.26 -4.68 115.64 121.90 3hsf s THR 26 Ca 0.00 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3hsf s THR 26 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3hsf s THR 26 CO 0.00 0.03 0.00 -0.24 -0.69 0.00 0.00 174.62 173.72 3hsf n SER 27 N 1.70 -6.66 -4.09 3.53 2.88 -1.26 -4.50 113.62 105.22 3hsf n SER 27 Ca 0.06 1.09 -0.36 0.00 -1.33 0.00 0.00 58.87 58.33 3hsf n SER 27 Cb 0.39 -3.07 -0.08 0.00 -0.75 0.00 0.00 64.21 60.70 3hsf n SER 27 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3hsf s GLY 28 N -6.02 2.87 -0.05 0.46 0.00 -1.26 -4.68 107.32 98.64 3hsf s GLY 28 Ca 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 44.72 41.10 3hsf s GLY 28 CO 0.00 1.16 0.56 -1.84 0.00 0.00 0.00 173.10 172.98 3hsf n GLU 29 N 2.72 0.18 -3.64 2.90 0.28 -1.26 -5.14 120.64 116.68 3hsf n GLU 29 Ca 0.17 -0.21 -0.04 0.00 -0.16 0.00 0.00 57.16 56.92 3hsf n GLU 29 Cb 0.37 0.18 -0.07 0.00 1.43 0.00 0.00 31.44 33.36 3hsf n GLU 29 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3hsf s SER 30 N -0.20 -0.36 -0.08 -1.84 1.04 -1.26 -4.11 113.70 106.89 3hsf s SER 30 Ca 0.01 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.08 3hsf s SER 30 Cb 0.06 0.94 -0.03 0.00 0.10 0.00 0.00 66.02 67.09 3hsf s SER 30 CO -0.02 -0.10 -0.10 -0.63 0.98 0.00 0.00 173.24 173.37 3hsf s ILE 31 N 0.81 3.42 -0.14 -1.02 1.01 -0.83 -2.42 121.20 122.03 3hsf s ILE 31 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3hsf s ILE 31 Cb -0.04 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 3hsf s ILE 31 CO -0.12 0.57 -0.17 -0.69 0.00 0.00 0.00 174.94 174.53 3hsf s VAL 32 N -0.47 2.56 -0.64 2.92 1.01 -1.03 -2.23 120.40 122.52 3hsf s VAL 32 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 3hsf s VAL 32 Cb -0.12 -2.06 0.16 0.00 0.00 0.00 0.00 36.38 34.36 3hsf s VAL 32 CO 0.02 0.53 0.44 -0.69 0.00 0.00 0.00 175.10 175.40 3hsf s VAL 33 N 0.69 3.53 0.21 2.92 1.01 -0.99 -3.14 120.40 124.64 3hsf s VAL 33 Ca -0.08 -3.19 -0.05 0.00 0.00 0.00 0.00 61.98 58.67 3hsf s VAL 33 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3hsf s VAL 33 CO 0.02 -0.89 1.60 1.55 0.00 0.00 0.00 175.10 177.38 3hsf h PRO 34 N 6.75 0.76 -3.10 2.72 0.13 -1.81 -2.75 132.00 134.69 3hsf h PRO 34 Ca -0.00 -0.33 -0.62 0.00 -0.87 0.00 0.00 66.00 64.18 3hsf h PRO 34 Cb 0.92 -0.02 -0.42 0.00 0.13 0.00 0.00 31.00 31.61 3hsf h PRO 34 CO 0.72 0.95 -0.58 -0.80 -0.23 0.00 0.00 178.00 178.06 3hsf s ASN 35 N -6.78 4.79 0.17 1.44 0.02 -1.26 -4.34 114.94 108.98 3hsf s ASN 35 Ca -0.09 -3.81 0.07 0.00 -1.02 0.00 0.00 52.86 48.01 3hsf s ASN 35 Cb 0.13 -1.63 -0.03 0.00 0.02 0.00 0.00 41.25 39.73 3hsf s ASN 35 CO 0.84 -0.09 1.38 -0.09 0.02 0.00 0.00 177.10 179.16 3hsf h ARG 36 N 5.46 0.04 -0.08 -0.60 2.43 -1.70 -2.39 114.38 117.54 3hsf h ARG 36 Ca 0.13 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 3hsf h ARG 36 Cb 0.76 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3hsf h ARG 36 CO 0.72 0.90 -0.45 1.05 -1.51 0.00 0.00 179.97 180.67 3hsf h GLU 37 N 0.02 0.18 0.18 0.20 4.11 -1.90 -3.10 114.58 114.27 3hsf h GLU 37 Ca -0.02 -0.09 -0.34 0.00 0.07 0.00 0.00 59.36 58.98 3hsf h GLU 37 Cb 1.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.82 3hsf h GLU 37 CO 0.12 0.60 -1.63 -0.09 0.07 0.00 0.00 179.01 178.08 3hsf h ARG 38 N 0.15 0.39 0.05 1.06 9.65 -1.96 -3.25 114.38 120.46 3hsf h ARG 38 Ca 0.01 -0.67 0.00 0.00 -1.10 0.00 0.00 59.98 58.23 3hsf h ARG 38 Cb 0.86 0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.67 3hsf h ARG 38 CO 0.07 1.30 -0.15 0.35 2.80 0.00 0.00 179.97 184.33 3hsf h PHE 39 N 0.11 -0.44 -0.42 2.20 3.57 -1.40 -2.71 116.94 117.84 3hsf h PHE 39 Ca -0.29 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.30 3hsf h PHE 39 Cb 2.09 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 40.93 3hsf h PHE 39 CO 0.10 -0.17 -0.24 0.28 -2.23 0.00 0.00 178.31 176.04 3hsf h VAL 40 N -0.23 0.34 -0.94 1.41 2.07 -1.72 0.41 116.25 117.59 3hsf h VAL 40 Ca -0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 3hsf h VAL 40 Cb 0.22 0.34 -0.17 0.00 -1.52 0.00 0.00 31.29 30.17 3hsf h VAL 40 CO -0.08 0.00 0.09 -0.61 0.02 0.00 0.00 177.57 177.00 3hsf h GLN 41 N -0.16 0.05 -0.27 1.57 4.15 -1.54 -2.74 115.11 116.17 3hsf h GLN 41 Ca 0.20 -0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.39 3hsf h GLN 41 Cb 0.47 -0.01 -0.32 0.00 0.21 0.00 0.00 27.48 27.83 3hsf h GLN 41 CO -0.52 0.04 -0.91 0.39 -1.93 0.00 0.00 178.83 175.90 3hsf n GLU 42 N -5.41 1.52 0.00 1.69 -0.58 -0.81 -4.87 120.64 112.18 3hsf n GLU 42 Ca 0.23 -3.12 0.00 0.00 -0.42 0.00 0.00 57.16 53.85 3hsf n GLU 42 Cb 0.75 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 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 -0.38 0.00 -0.07 2.62 0.31 0.14 -4.84 118.33 116.11 3hsf n VAL 43 Ca 0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.39 3hsf n VAL 43 Cb 0.92 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.81 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 0.31 -1.19 7.52 5.85 -1.44 -2.75 115.31 123.60 3hsf h LEU 44 Ca 0.00 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 3hsf h LEU 44 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3hsf h LEU 44 CO 0.00 0.39 -0.20 1.55 -0.34 0.00 0.00 178.44 179.84 3hsf h PRO 45 N 0.21 0.00 0.00 5.25 0.13 -1.85 -2.04 132.00 133.70 3hsf h PRO 45 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3hsf h PRO 45 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 3hsf h PRO 45 CO -0.01 0.20 0.00 1.63 -0.23 0.00 0.00 178.00 179.60 3hsf n LYS 46 N -3.39 0.06 -0.03 0.86 5.02 -1.06 -3.94 118.16 115.69 3hsf n LYS 46 Ca 0.00 0.18 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 3hsf n LYS 46 Cb 0.41 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 3hsf n LYS 46 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hsf n TYR 47 N -1.69 0.25 -2.84 2.13 4.02 -0.79 -5.03 117.16 113.20 3hsf n TYR 47 Ca 0.05 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3hsf n TYR 47 Cb 0.27 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 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 -3.23 -2.33 -4.23 -0.72 3.01 -1.07 -5.11 117.46 103.78 3hsf n PHE 48 Ca -0.04 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.10 3hsf n PHE 48 Cb 0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.45 3hsf n PHE 48 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3hsf s LYS 49 N -1.03 2.94 -1.43 -1.08 1.02 -1.26 -4.69 119.74 114.21 3hsf s LYS 49 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 3hsf s LYS 49 Cb 0.00 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.84 3hsf s LYS 49 CO 0.00 -0.17 1.06 0.72 -0.92 0.00 0.00 175.35 176.04 3hsf n HIS 50 N 4.51 -2.62 -3.56 3.18 8.25 -1.26 -4.99 115.22 118.74 3hsf n HIS 50 Ca -0.20 0.92 -0.20 0.00 -0.26 0.00 0.00 57.72 57.98 3hsf n HIS 50 Cb 0.50 -4.66 -0.01 0.00 1.12 0.00 0.00 29.99 26.95 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 -3.23 6.06 0.14 0.41 0.15 -1.26 -5.13 113.70 110.84 3hsf s SER 51 Ca 0.57 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 57.15 3hsf s SER 51 Cb -0.26 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 3hsf s SER 51 CO 0.71 -0.36 0.02 0.20 1.20 0.00 0.00 173.24 175.01 3hsf s ASN 52 N -4.13 0.82 0.55 5.45 0.02 -1.26 -4.80 114.94 111.59 3hsf s ASN 52 Ca 0.42 -1.16 0.24 0.00 -1.02 0.00 0.00 52.86 51.34 3hsf s ASN 52 Cb -0.09 0.19 1.45 0.00 0.02 0.00 0.00 41.25 42.82 3hsf s ASN 52 CO 0.31 -0.62 2.06 2.19 0.02 0.00 0.00 177.10 181.05 3hsf h PHE 53 N 2.81 0.00 -0.48 2.20 -5.15 -1.99 -1.00 116.94 113.32 3hsf h PHE 53 Ca -0.36 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.33 3hsf h PHE 53 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.35 3hsf h PHE 53 CO 0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 178.31 176.80 3hsf h ALA 54 N 1.79 0.64 -0.17 12.09 0.00 -2.00 -2.36 119.26 129.26 3hsf h ALA 54 Ca 0.15 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3hsf h ALA 54 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hsf h ALA 54 CO -0.00 0.45 -0.39 1.03 0.00 0.00 0.00 179.25 180.34 3hsf h SER 55 N 0.70 0.40 -0.60 0.00 0.87 -1.60 -2.39 113.55 110.93 3hsf h SER 55 Ca 0.13 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 3hsf h SER 55 Cb 0.52 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3hsf h SER 55 CO 0.03 0.75 0.13 0.15 -0.53 0.00 0.00 176.83 177.35 3hsf h PHE 56 N 0.32 1.04 0.00 2.24 3.57 -1.23 -2.51 116.94 120.36 3hsf h PHE 56 Ca 0.03 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 61.29 3hsf h PHE 56 Cb 0.83 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3hsf h PHE 56 CO 0.02 0.88 -0.51 0.28 -2.23 0.00 0.00 178.31 176.76 3hsf h VAL 57 N 0.89 1.31 -0.02 1.41 2.07 -1.28 -2.76 116.25 117.87 3hsf h VAL 57 Ca 0.19 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 3hsf h VAL 57 Cb 0.39 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3hsf h VAL 57 CO 0.01 0.50 -0.01 0.03 0.02 0.00 0.00 177.57 178.12 3hsf h ARG 58 N 0.00 0.04 -0.58 1.57 3.08 -1.05 -2.34 114.38 115.10 3hsf h ARG 58 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3hsf h ARG 58 Cb 0.93 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3hsf h ARG 58 CO 0.07 0.40 0.32 1.96 -1.07 0.00 0.00 179.97 181.65 3hsf h GLN 59 N -0.32 0.80 -0.96 0.04 7.50 -1.45 -1.30 115.11 119.42 3hsf h GLN 59 Ca 0.01 -0.09 0.05 0.00 0.50 0.00 0.00 58.65 59.11 3hsf h GLN 59 Cb 0.38 -0.16 -0.06 0.00 0.05 0.00 0.00 27.48 27.70 3hsf h GLN 59 CO 0.00 0.61 0.62 -0.07 -1.50 0.00 0.00 178.83 178.50 3hsf h LEU 60 N 0.78 1.03 -0.63 1.46 3.38 -1.47 -1.13 115.31 118.73 3hsf h LEU 60 Ca 0.20 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3hsf h LEU 60 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hsf h LEU 60 CO -0.03 0.69 -0.17 -1.13 0.09 0.00 0.00 178.44 177.89 3hsf h ASN 61 N 1.19 0.00 1.16 -0.43 -0.73 -1.00 -1.61 115.58 114.15 3hsf h ASN 61 Ca 0.39 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.56 3hsf h ASN 61 Cb 0.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.65 3hsf h ASN 61 CO -0.14 0.17 0.00 0.24 -0.37 0.00 0.00 177.43 177.33 3hsf h MET 62 N 0.00 0.00 0.00 6.67 2.86 -0.03 -3.33 114.93 121.09 3hsf h MET 62 Ca -0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.31 3hsf h MET 62 Cb 0.90 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 3hsf h MET 62 CO 0.02 0.00 -2.13 0.66 1.06 0.00 0.00 176.91 176.52 3hsf n TYR 63 N -2.35 0.00 0.00 -0.22 4.01 -1.12 -5.03 117.16 112.45 3hsf n TYR 63 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3hsf n TYR 63 Cb 0.34 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 2.08 -0.04 3.06 2.72 0.00 -1.02 -5.12 105.19 106.86 3hsf n GLY 64 Ca -0.38 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 3.49 0.73 1.61 0.52 -0.64 -4.39 118.94 120.27 3hsf s TRP 65 Ca 0.00 -2.79 -0.03 0.00 0.02 0.00 0.00 56.10 53.30 3hsf s TRP 65 Cb 0.00 -3.07 0.12 0.00 -1.15 0.00 0.00 33.47 29.37 3hsf s TRP 65 CO 0.00 -0.88 1.02 -1.01 0.02 0.00 0.00 176.95 176.09 3hsf s HIS 66 N 0.46 1.90 -0.55 -1.98 3.76 -0.70 -4.48 115.29 113.70 3hsf s HIS 66 Ca 0.13 -0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.02 3hsf s HIS 66 Cb -0.22 -3.15 0.19 0.00 1.11 0.00 0.00 32.58 30.52 3hsf s HIS 66 CO -0.04 -1.71 0.48 0.36 -0.85 0.00 0.00 174.74 172.98 3hsf n LYS 67 N -2.92 1.18 -4.40 1.40 2.85 -1.26 -2.36 118.16 112.65 3hsf n LYS 67 Ca 0.13 -3.87 -0.22 0.00 -1.05 0.00 0.00 58.31 53.31 3hsf n LYS 67 Cb 0.60 -1.92 -0.10 0.00 -0.65 0.00 0.00 35.03 32.96 3hsf n LYS 67 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3hsf s VAL 68 N -1.01 2.11 -0.46 0.58 -7.23 -1.26 -4.96 120.40 108.17 3hsf s VAL 68 Ca 0.31 -2.26 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3hsf s VAL 68 Cb 0.04 -2.14 0.18 0.00 0.56 0.00 0.00 36.38 35.02 3hsf s VAL 68 CO -0.15 -0.45 0.62 -1.58 -0.31 0.00 0.00 175.10 173.23 3hsf s GLN 69 N -3.44 0.95 2.07 4.82 0.74 -1.26 -4.84 119.66 118.70 3hsf s GLN 69 Ca 0.25 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.71 3hsf s GLN 69 Cb -0.04 -0.23 0.00 0.00 1.10 0.00 0.00 33.01 33.84 3hsf s GLN 69 CO 0.11 -1.29 0.00 -0.25 -0.55 0.00 0.00 175.29 173.31 3hsf n ASP 70 N 3.45 -2.72 0.22 6.67 8.00 -1.26 -3.72 116.55 127.20 3hsf n ASP 70 Ca 0.17 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.51 3hsf n ASP 70 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.57 3hsf n ASP 70 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3hsf h VAL 71 N 0.00 0.34 0.00 2.53 3.04 -2.07 -3.47 116.25 116.62 3hsf h VAL 71 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3hsf h VAL 71 Cb 0.00 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 3hsf h VAL 71 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.57 177.73 3hsf n LYS 72 N -5.44 0.00 -0.08 4.17 3.00 -1.24 -5.08 118.16 113.49 3hsf n LYS 72 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.13 3hsf n LYS 72 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.33 3hsf n LYS 72 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3hsf n SER 73 N 0.00 1.82 0.00 3.14 7.64 -1.26 -5.08 113.62 119.88 3hsf n SER 73 Ca 0.00 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3hsf n SER 73 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 1.57 -1.17 3.34 0.23 0.00 -1.26 -5.07 105.19 102.83 3hsf n GLY 74 Ca -0.13 0.40 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -6.44 0.10 1.61 3.41 -1.26 -4.93 113.62 106.11 3hsf n SER 75 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3hsf n SER 75 Cb 0.00 -3.43 0.00 0.00 -0.26 0.00 0.00 64.21 60.52 3hsf n SER 75 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3hsf n MET 76 N -1.38 0.00 0.09 4.33 1.56 -1.26 -4.81 117.12 115.65 3hsf n MET 76 Ca -0.09 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.27 3hsf n MET 76 Cb 0.59 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.99 3hsf n MET 76 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 3hsf h LEU 77 N 0.00 0.20 -0.20 -0.89 5.85 -2.04 -2.99 115.31 115.24 3hsf h LEU 77 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3hsf h LEU 77 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3hsf h LEU 77 CO 0.00 0.93 0.00 -1.20 -0.34 0.00 0.00 178.44 177.83 3hsf n SER 78 N -3.68 0.31 -1.04 1.25 7.64 -1.26 -5.02 113.62 111.81 3hsf n SER 78 Ca -0.03 -1.22 0.02 0.00 1.01 0.00 0.00 58.87 58.65 3hsf n SER 78 Cb 0.77 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.95 3hsf n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hsf n ASN 79 N -0.70 -6.25 -4.63 6.43 4.13 -1.13 -4.48 115.26 108.62 3hsf n ASN 79 Ca 0.20 0.17 -0.43 0.00 1.68 0.00 0.00 54.58 56.20 3hsf n ASN 79 Cb 0.14 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 37.87 3hsf n ASN 79 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3hsf n ASN 80 N -3.15 3.76 0.02 6.41 0.23 -1.26 -4.58 115.26 116.70 3hsf n ASN 80 Ca 0.00 0.61 0.13 0.00 -0.53 0.00 0.00 54.58 54.79 3hsf n ASN 80 Cb 0.07 -1.53 0.36 0.00 -2.08 0.00 0.00 39.78 36.60 3hsf n ASN 80 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3hsf n ASP 81 N 9.26 0.41 -2.10 0.53 8.00 -1.26 -4.94 116.55 126.45 3hsf n ASP 81 Ca 0.24 0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.71 3hsf n ASP 81 Cb 0.42 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 3hsf n ASP 81 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hsf n SER 82 N -1.67 -4.66 -4.07 -2.24 2.88 -1.26 -4.97 113.62 97.63 3hsf n SER 82 Ca 0.06 -0.19 -0.35 0.00 -1.33 0.00 0.00 58.87 57.06 3hsf n SER 82 Cb 0.36 -3.54 -0.11 0.00 -0.75 0.00 0.00 64.21 60.17 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 -5.29 2.28 0.33 -1.46 1.70 -1.26 -3.81 118.95 111.43 3hsf s ARG 83 Ca 0.19 -2.38 -0.23 0.00 -0.47 0.00 0.00 55.73 52.84 3hsf s ARG 83 Cb -0.09 -3.59 -0.10 0.00 -0.57 0.00 0.00 34.95 30.61 3hsf s ARG 83 CO 0.24 -1.13 0.90 -1.58 -1.08 0.00 0.00 175.30 172.65 3hsf s TRP 84 N 0.17 3.59 0.29 5.89 0.52 -1.04 -4.93 118.94 123.44 3hsf s TRP 84 Ca 0.15 1.66 0.09 0.00 0.02 0.00 0.00 56.10 58.01 3hsf s TRP 84 Cb -0.22 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 3hsf s TRP 84 CO -0.03 0.16 0.06 -1.21 0.02 0.00 0.00 176.95 175.94 3hsf s GLU 85 N -2.32 2.37 -0.19 4.98 8.01 -1.26 -2.33 118.70 127.95 3hsf s GLU 85 Ca 0.52 -1.43 -0.14 0.00 0.01 0.00 0.00 54.97 53.93 3hsf s GLU 85 Cb -0.16 -2.20 0.06 0.00 -4.31 0.00 0.00 34.13 27.52 3hsf s GLU 85 CO 0.21 0.29 0.48 -0.06 0.01 0.00 0.00 175.26 176.19 3hsf s PHE 86 N -2.34 -0.64 0.16 1.61 0.08 -0.95 -4.59 117.98 111.32 3hsf s PHE 86 Ca 0.33 1.42 -0.20 0.00 0.12 0.00 0.00 56.93 58.60 3hsf s PHE 86 Cb -0.05 0.28 0.05 0.00 -0.57 0.00 0.00 43.02 42.73 3hsf s PHE 86 CO 0.21 -0.33 0.54 -1.83 -0.10 0.00 0.00 175.22 173.71 3hsf s GLU 87 N 0.94 1.27 -0.61 0.44 1.03 -1.00 -1.96 118.70 118.82 3hsf s GLU 87 Ca -0.05 -0.63 -0.04 0.00 0.03 0.00 0.00 54.97 54.27 3hsf s GLU 87 Cb -0.06 0.55 0.04 0.00 -0.80 0.00 0.00 34.13 33.86 3hsf s GLU 87 CO -0.08 -0.54 2.77 0.09 -1.33 0.00 0.00 175.26 176.17 3hsf n ASN 88 N -0.34 6.71 -2.88 0.83 3.02 -1.26 -1.71 115.26 119.64 3hsf n ASN 88 Ca -0.15 -3.12 -0.09 0.00 -0.03 0.00 0.00 54.58 51.19 3hsf n ASN 88 Cb 0.64 -1.28 -0.02 0.00 -0.61 0.00 0.00 39.78 38.51 3hsf n ASN 88 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3hsf n GLU 89 N 1.22 -2.42 -0.62 3.52 0.28 -1.26 -4.49 120.64 116.86 3hsf n GLU 89 Ca 0.52 0.03 0.08 0.00 -0.16 0.00 0.00 57.16 57.63 3hsf n GLU 89 Cb 0.52 -4.38 -0.02 0.00 1.43 0.00 0.00 31.44 28.99 3hsf n GLU 89 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hsf n ARG 90 N -2.75 -1.25 -2.64 3.44 1.74 -1.26 -4.03 116.66 109.91 3hsf n ARG 90 Ca 0.03 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.51 3hsf n ARG 90 Cb 0.47 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.97 2.77 -2.79 -1.55 3.76 -1.26 -5.20 115.29 110.06 3hsf s HIS 91 Ca 0.00 -1.34 0.22 0.00 -0.15 0.00 0.00 55.06 53.80 3hsf s HIS 91 Cb 0.00 -4.65 0.18 0.00 1.11 0.00 0.00 32.58 29.21 3hsf s HIS 91 CO 0.00 -1.80 1.21 0.00 -0.85 0.00 0.00 174.74 173.30