#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 1.70 0.20 0.00 0.52 -1.26 -5.12 118.95 115.00 3hsf s ARG 2 Ca 0.00 -1.85 -0.29 0.00 -0.52 0.00 0.00 55.73 53.07 3hsf s ARG 2 Cb 0.00 -1.55 -0.08 0.00 0.52 0.00 0.00 34.95 33.83 3hsf s ARG 2 CO 0.00 0.16 0.92 -1.25 0.02 0.00 0.00 175.30 175.15 3hsf s PRO 3 N -3.62 4.79 0.54 3.54 0.04 -1.26 -4.93 135.00 134.10 3hsf s PRO 3 Ca 0.31 1.43 0.22 0.00 0.04 0.00 0.00 61.00 62.99 3hsf s PRO 3 Cb 0.01 -3.29 1.47 0.00 0.04 0.00 0.00 34.50 32.72 3hsf s PRO 3 CO 0.14 0.47 2.17 0.00 0.04 0.00 0.00 177.00 179.83 3hsf h ALA 4 N 4.43 1.75 0.37 8.56 0.00 -1.99 -2.37 119.26 130.02 3hsf h ALA 4 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3hsf h ALA 4 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hsf h ALA 4 CO 0.68 0.03 -0.18 0.35 0.00 0.00 0.00 179.25 180.14 3hsf h PHE 5 N 0.00 -0.46 -0.19 0.00 3.57 -2.00 -2.59 116.94 115.27 3hsf h PHE 5 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3hsf h PHE 5 Cb 0.05 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3hsf h PHE 5 CO 0.00 -0.29 0.30 0.28 -2.23 0.00 0.00 178.31 176.37 3hsf h VAL 6 N -0.67 0.27 -0.24 1.41 2.07 -1.95 -0.19 116.25 116.94 3hsf h VAL 6 Ca -0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3hsf h VAL 6 Cb 0.38 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hsf h VAL 6 CO 0.08 0.00 -0.03 0.78 0.02 0.00 0.00 177.57 178.42 3hsf h ASN 7 N 0.00 0.45 0.55 0.57 4.21 -1.27 -2.63 115.58 117.46 3hsf h ASN 7 Ca 0.09 -0.34 -0.08 0.00 1.21 0.00 0.00 56.30 57.18 3hsf h ASN 7 Cb 0.68 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3hsf h ASN 7 CO -0.00 0.68 -0.36 0.07 -1.29 0.00 0.00 177.43 176.53 3hsf h LYS 8 N 0.20 0.00 0.71 0.81 2.10 -0.65 -3.18 116.57 116.56 3hsf h LYS 8 Ca 0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 3hsf h LYS 8 Cb 0.47 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3hsf h LYS 8 CO 0.02 0.36 -0.44 1.25 -2.00 0.00 0.00 179.45 178.64 3hsf h LEU 9 N 0.00 -1.10 -2.30 7.07 5.85 -1.04 -2.11 115.31 121.68 3hsf h LEU 9 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hsf h LEU 9 Cb 0.73 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3hsf h LEU 9 CO 0.05 -0.67 0.02 -0.50 -0.34 0.00 0.00 178.44 177.00 3hsf h TRP 10 N -1.07 0.00 0.25 1.25 6.55 -1.52 -2.11 115.95 119.29 3hsf h TRP 10 Ca -0.10 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.41 3hsf h TRP 10 Cb 0.86 0.00 0.04 0.00 -0.86 0.00 0.00 29.16 29.20 3hsf h TRP 10 CO -0.08 0.00 -1.48 1.03 -1.05 0.00 0.00 178.44 176.86 3hsf h SER 11 N 0.00 0.83 -0.10 -3.49 0.87 -1.38 -2.90 113.55 107.38 3hsf h SER 11 Ca 0.00 -0.92 -0.11 0.00 -1.23 0.00 0.00 61.79 59.53 3hsf h SER 11 Cb 0.04 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 3hsf h SER 11 CO 0.00 1.71 -0.35 0.24 -0.53 0.00 0.00 176.83 177.90 3hsf h MET 12 N 0.13 0.41 -0.58 2.24 2.86 -0.78 -2.99 114.93 116.22 3hsf h MET 12 Ca -0.26 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.04 3hsf h MET 12 Cb 2.15 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.85 3hsf h MET 12 CO 0.27 0.94 0.23 0.28 1.06 0.00 0.00 176.91 179.69 3hsf h VAL 13 N -0.03 1.23 -0.57 -2.22 2.07 -1.60 -2.48 116.25 112.65 3hsf h VAL 13 Ca -0.02 -0.71 -0.35 0.00 0.82 0.00 0.00 66.70 66.45 3hsf h VAL 13 Cb 0.98 0.60 -0.17 0.00 -1.52 0.00 0.00 31.29 31.18 3hsf h VAL 13 CO 0.07 0.27 0.45 -3.20 0.02 0.00 0.00 177.57 175.19 3hsf n ASN 14 N -4.48 5.41 -4.73 0.57 2.85 -1.09 -4.68 115.26 109.12 3hsf n ASN 14 Ca 0.03 -3.09 -0.35 0.00 -0.11 0.00 0.00 54.58 51.06 3hsf n ASN 14 Cb 0.16 -0.91 -0.09 0.00 1.24 0.00 0.00 39.78 40.19 3hsf n ASN 14 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hsf s ASP 15 N -0.23 5.57 0.45 1.20 2.15 -0.93 -4.95 116.67 119.91 3hsf s ASP 15 Ca 0.35 0.22 0.23 0.00 0.43 0.00 0.00 52.55 53.78 3hsf s ASP 15 Cb 0.28 -1.68 1.03 0.00 -0.30 0.00 0.00 42.92 42.25 3hsf s ASP 15 CO 0.02 0.36 1.89 0.50 -0.17 0.00 0.00 175.17 177.77 3hsf h LYS 16 N 5.29 0.00 0.00 4.34 1.63 -1.90 -2.62 116.57 123.31 3hsf h LYS 16 Ca -0.50 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.22 3hsf h LYS 16 Cb 1.20 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3hsf h LYS 16 CO 0.57 0.23 -0.35 0.77 -3.45 0.00 0.00 179.45 177.22 3hsf h SER 17 N 0.00 0.00 -0.35 4.20 0.02 -1.94 -2.84 113.55 112.65 3hsf h SER 17 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3hsf h SER 17 Cb 0.64 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.09 3hsf h SER 17 CO 0.03 0.35 -0.03 0.59 -1.14 0.00 0.00 176.83 176.63 3hsf n ASN 18 N -3.98 2.90 0.22 3.07 3.02 -1.01 -4.64 115.26 114.83 3hsf n ASN 18 Ca -0.02 -3.55 0.07 0.00 -0.03 0.00 0.00 54.58 51.05 3hsf n ASN 18 Cb 0.40 -0.62 0.49 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.19 0.00 -0.87 3.52 4.22 -1.24 -2.36 114.58 119.03 3hsf h GLU 19 Ca 0.18 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.23 3hsf h GLU 19 Cb 1.64 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.66 3hsf h GLU 19 CO 0.37 0.27 0.48 1.63 -2.18 0.00 0.00 179.01 179.57 3hsf n LYS 20 N -3.84 2.87 0.00 1.92 5.02 -1.26 -4.63 118.16 118.24 3hsf n LYS 20 Ca -0.02 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 3hsf n LYS 20 Cb 0.36 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hsf n PHE 21 N -0.73 0.00 -4.63 2.13 3.72 -0.93 -5.08 117.46 111.94 3hsf n PHE 21 Ca 0.51 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.58 3hsf n PHE 21 Cb 1.54 0.41 -0.12 0.00 -0.94 0.00 0.00 39.48 40.37 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 -0.95 3.53 0.31 4.37 2.07 -0.95 -4.23 121.20 125.34 3hsf s ILE 22 Ca 0.00 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 58.76 3hsf s ILE 22 Cb 0.00 -2.48 -0.02 0.00 0.13 0.00 0.00 42.46 40.09 3hsf s ILE 22 CO 0.00 0.55 0.30 -1.38 -1.91 0.00 0.00 174.94 172.50 3hsf s HIS 23 N -0.18 1.47 0.60 3.50 -3.43 -1.17 -4.55 115.29 111.53 3hsf s HIS 23 Ca 0.02 -1.51 -0.03 0.00 -0.80 0.00 0.00 55.06 52.73 3hsf s HIS 23 Cb -0.13 -0.53 0.03 0.00 -1.43 0.00 0.00 32.58 30.52 3hsf s HIS 23 CO 0.03 -0.90 0.87 -1.58 -2.00 0.00 0.00 174.74 171.16 3hsf s TRP 24 N -3.48 3.03 0.40 0.38 0.52 -1.26 -1.86 118.94 116.66 3hsf s TRP 24 Ca 0.38 0.33 -0.01 0.00 0.02 0.00 0.00 56.10 56.82 3hsf s TRP 24 Cb 0.02 -2.83 0.08 0.00 -1.15 0.00 0.00 33.47 29.59 3hsf s TRP 24 CO 0.23 -0.97 0.55 -1.13 0.02 0.00 0.00 176.95 175.66 3hsf n SER 25 N -2.56 0.61 -4.28 2.95 3.41 -0.51 -4.70 113.62 108.54 3hsf n SER 25 Ca 0.06 -1.55 -0.32 0.00 -0.26 0.00 0.00 58.87 56.81 3hsf n SER 25 Cb 0.59 -0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.67 2.26 -0.24 6.66 2.01 -1.26 -4.89 115.64 118.50 3hsf s THR 26 Ca 0.36 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 3hsf s THR 26 Cb -0.02 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.65 3hsf s THR 26 CO 0.24 0.56 0.10 -0.24 -0.69 0.00 0.00 174.62 174.59 3hsf n SER 27 N 3.19 -4.52 0.00 3.53 2.88 -1.26 -4.92 113.62 112.51 3hsf n SER 27 Ca -0.18 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 3hsf n SER 27 Cb 0.52 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 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 1.08 0.37 2.87 0.46 0.00 -1.26 -4.98 105.19 103.72 3hsf n GLY 28 Ca -0.18 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.50 0.54 0.21 1.61 0.41 -1.26 -4.99 118.70 114.72 3hsf s GLU 29 Ca 0.00 -0.34 -0.20 0.00 -0.41 0.00 0.00 54.97 54.02 3hsf s GLU 29 Cb 0.00 -0.46 0.04 0.00 -1.78 0.00 0.00 34.13 31.92 3hsf s GLU 29 CO 0.00 -1.12 0.60 -1.54 -0.49 0.00 0.00 175.26 172.71 3hsf s SER 30 N 2.00 -0.34 0.35 -0.19 1.04 -1.26 -4.40 113.70 110.90 3hsf s SER 30 Ca 0.13 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.24 3hsf s SER 30 Cb -0.13 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 3hsf s SER 30 CO -0.17 -1.12 0.35 -0.63 0.98 0.00 0.00 173.24 172.65 3hsf s ILE 31 N -3.85 3.50 -0.03 -1.02 1.01 -0.94 -1.42 121.20 118.44 3hsf s ILE 31 Ca 0.08 -1.27 -0.00 0.00 0.00 0.00 0.00 60.65 59.45 3hsf s ILE 31 Cb -0.02 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.28 3hsf s ILE 31 CO -0.03 -0.14 0.01 -0.69 0.00 0.00 0.00 174.94 174.10 3hsf s VAL 32 N -2.30 0.12 -0.40 2.92 1.01 -0.78 -1.91 120.40 119.06 3hsf s VAL 32 Ca 0.43 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3hsf s VAL 32 Cb -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 36.38 36.18 3hsf s VAL 32 CO 0.28 0.15 0.15 -0.69 0.00 0.00 0.00 175.10 174.99 3hsf s VAL 33 N 1.23 1.83 0.28 2.92 1.01 -1.06 -3.03 120.40 123.57 3hsf s VAL 33 Ca -0.07 -2.41 -0.02 0.00 0.00 0.00 0.00 61.98 59.48 3hsf s VAL 33 Cb -0.13 -2.32 0.16 0.00 0.00 0.00 0.00 36.38 34.09 3hsf s VAL 33 CO -0.02 -0.73 1.84 1.55 0.00 0.00 0.00 175.10 177.73 3hsf h PRO 34 N 7.25 0.87 -2.84 2.72 0.13 -1.84 -3.00 132.00 135.28 3hsf h PRO 34 Ca -0.06 -0.16 -0.56 0.00 -0.87 0.00 0.00 66.00 64.34 3hsf h PRO 34 Cb 0.97 -0.14 -0.40 0.00 0.13 0.00 0.00 31.00 31.56 3hsf h PRO 34 CO 0.54 0.75 -0.80 -0.80 -0.23 0.00 0.00 178.00 177.46 3hsf s ASN 35 N -6.55 3.41 0.00 1.44 0.01 -1.26 -3.37 114.94 108.63 3hsf s ASN 35 Ca -0.10 -1.78 0.21 0.00 -0.71 0.00 0.00 52.86 50.47 3hsf s ASN 35 Cb 0.16 -0.50 1.01 0.00 0.41 0.00 0.00 41.25 42.33 3hsf s ASN 35 CO 0.80 -0.37 1.66 -1.14 -1.51 0.00 0.00 177.10 176.53 3hsf n ARG 36 N 4.61 0.24 0.06 -0.60 0.63 -1.26 -2.38 116.66 117.95 3hsf n ARG 36 Ca 0.02 0.10 -0.22 0.00 -0.92 0.00 0.00 57.85 56.83 3hsf n ARG 36 Cb 0.40 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.66 3hsf n ARG 36 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3hsf h GLU 37 N 0.00 0.36 0.05 -0.14 4.81 -1.96 -3.21 114.58 114.48 3hsf h GLU 37 Ca 0.00 -0.62 -0.26 0.00 -0.13 0.00 0.00 59.36 58.36 3hsf h GLU 37 Cb 0.23 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3hsf h GLU 37 CO 0.00 1.29 -1.29 0.00 -0.73 0.00 0.00 179.01 178.28 3hsf h ARG 38 N -0.12 0.10 0.51 1.92 3.08 -1.99 -3.10 114.38 114.78 3hsf h ARG 38 Ca -0.27 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 3hsf h ARG 38 Cb 1.91 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.02 3hsf h ARG 38 CO 0.16 0.96 -0.27 0.35 -1.07 0.00 0.00 179.97 180.10 3hsf h PHE 39 N 0.03 -0.70 -0.93 3.04 3.57 -1.62 -2.48 116.94 117.84 3hsf h PHE 39 Ca -0.13 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.48 3hsf h PHE 39 Cb 1.90 0.24 -0.09 0.00 2.79 0.00 0.00 35.95 40.79 3hsf h PHE 39 CO 0.02 -0.42 0.55 0.28 -2.23 0.00 0.00 178.31 176.52 3hsf h VAL 40 N -0.71 0.85 -0.83 1.41 2.07 -1.71 0.20 116.25 117.53 3hsf h VAL 40 Ca -0.07 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.28 3hsf h VAL 40 Cb 0.56 -0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 3hsf h VAL 40 CO 0.10 0.15 0.45 -0.61 0.02 0.00 0.00 177.57 177.68 3hsf h GLN 41 N 0.85 0.69 -0.57 1.57 4.15 -1.44 -2.72 115.11 117.64 3hsf h GLN 41 Ca 0.48 -0.04 -0.40 0.00 0.77 0.00 0.00 58.65 59.45 3hsf h GLN 41 Cb 0.54 -0.16 -0.39 0.00 0.21 0.00 0.00 27.48 27.69 3hsf h GLN 41 CO -0.29 0.46 -0.90 0.39 -1.93 0.00 0.00 178.83 176.55 3hsf n GLU 42 N -4.80 2.76 0.00 1.69 1.02 -0.72 -4.80 120.64 115.78 3hsf n GLU 42 Ca 0.15 -3.82 0.00 0.00 -0.02 0.00 0.00 57.16 53.46 3hsf n GLU 42 Cb 0.34 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 -0.66 0.00 -0.02 2.62 0.31 0.62 -4.83 118.33 116.36 3hsf n VAL 43 Ca 0.29 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.49 3hsf n VAL 43 Cb 0.90 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.75 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 0.11 0.00 7.52 5.85 -1.56 -3.00 115.31 124.23 3hsf h LEU 44 Ca 0.00 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3hsf h LEU 44 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3hsf h LEU 44 CO 0.00 0.54 0.00 -0.81 -0.34 0.00 0.00 178.44 177.83 3hsf n PRO 45 N -4.79 0.00 0.25 5.25 -0.04 -1.26 -2.21 135.00 132.21 3hsf n PRO 45 Ca -0.08 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.66 3hsf n PRO 45 Cb 0.27 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.78 3hsf n PRO 45 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3hsf h LYS 46 N 0.00 0.00 0.00 0.54 6.56 -1.84 -3.37 116.57 118.46 3hsf h LYS 46 Ca 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 3hsf h LYS 46 Cb 0.37 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 3hsf h LYS 46 CO 0.00 0.09 -1.25 0.66 -2.06 0.00 0.00 179.45 176.89 3hsf n TYR 47 N -3.20 0.00 -1.97 -1.35 4.02 -1.15 -5.06 117.16 108.46 3hsf n TYR 47 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.60 3hsf n TYR 47 Cb 0.37 -0.20 0.19 0.00 -0.02 0.00 0.00 39.34 39.68 3hsf n TYR 47 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3hsf s PHE 48 N -2.11 1.51 0.00 -0.72 0.08 -0.94 -5.07 117.98 110.73 3hsf s PHE 48 Ca -0.08 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.23 3hsf s PHE 48 Cb 0.03 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.37 3hsf s PHE 48 CO 0.10 -2.66 0.00 1.63 -0.10 0.00 0.00 175.22 174.19 3hsf n LYS 49 N -3.75 0.00 -3.63 0.44 4.76 -1.26 -4.66 118.16 110.06 3hsf n LYS 49 Ca 0.16 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.31 3hsf n LYS 49 Cb 0.59 -0.21 -0.09 0.00 -1.84 0.00 0.00 35.03 33.48 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3hsf n HIS 50 N -2.43 3.49 -3.86 2.13 8.25 -1.26 -4.96 115.22 116.59 3hsf n HIS 50 Ca 0.00 -4.18 -0.12 0.00 -0.26 0.00 0.00 57.72 53.17 3hsf n HIS 50 Cb 0.00 -0.65 -0.12 0.00 1.12 0.00 0.00 29.99 30.33 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 -1.86 -0.05 0.49 0.41 0.01 -1.26 -5.14 113.70 106.30 3hsf s SER 51 Ca 0.32 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.73 3hsf s SER 51 Cb 0.05 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.52 3hsf s SER 51 CO -0.08 -0.13 0.59 0.20 0.41 0.00 0.00 173.24 174.23 3hsf s ASN 52 N -0.38 5.19 0.47 2.44 0.02 -1.26 -4.82 114.94 116.60 3hsf s ASN 52 Ca -0.04 -0.76 0.16 0.00 -1.02 0.00 0.00 52.86 51.19 3hsf s ASN 52 Cb -0.03 -0.14 1.13 0.00 0.02 0.00 0.00 41.25 42.23 3hsf s ASN 52 CO 0.00 -1.00 2.03 2.19 0.02 0.00 0.00 177.10 180.34 3hsf h PHE 53 N 0.56 0.26 -0.72 2.20 -5.15 -1.99 -1.01 116.94 111.09 3hsf h PHE 53 Ca -0.36 0.01 -0.07 0.00 -0.20 0.00 0.00 57.97 57.35 3hsf h PHE 53 Cb 1.28 -0.09 -0.03 0.00 0.22 0.00 0.00 35.95 37.34 3hsf h PHE 53 CO 0.52 0.14 0.19 0.00 -2.00 0.00 0.00 178.31 177.15 3hsf h ALA 54 N 1.78 0.97 -0.47 12.09 0.00 -2.00 -2.44 119.26 129.19 3hsf h ALA 54 Ca 0.19 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3hsf h ALA 54 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hsf h ALA 54 CO -0.04 0.67 -0.08 0.77 0.00 0.00 0.00 179.25 180.57 3hsf h SER 55 N 1.09 0.82 0.27 0.00 0.02 -1.57 -2.14 113.55 112.05 3hsf h SER 55 Ca 0.23 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3hsf h SER 55 Cb 0.35 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3hsf h SER 55 CO -0.00 0.93 -0.13 0.15 -1.14 0.00 0.00 176.83 176.64 3hsf h PHE 56 N 0.76 -0.34 0.00 3.45 3.57 -1.13 -2.24 116.94 121.01 3hsf h PHE 56 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hsf h PHE 56 Cb 0.57 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 3hsf h PHE 56 CO 0.03 -0.16 -0.04 0.28 -2.23 0.00 0.00 178.31 176.19 3hsf h VAL 57 N -0.44 0.74 0.03 1.41 2.07 -1.38 -2.54 116.25 116.14 3hsf h VAL 57 Ca -0.04 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hsf h VAL 57 Cb 0.33 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3hsf h VAL 57 CO 0.06 0.04 -0.01 0.03 0.02 0.00 0.00 177.57 177.71 3hsf h ARG 58 N 0.00 -0.04 -0.95 1.57 3.08 -0.80 -1.57 114.38 115.67 3hsf h ARG 58 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hsf h ARG 58 Cb 0.08 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3hsf h ARG 58 CO 0.01 0.26 0.61 1.96 -1.07 0.00 0.00 179.97 181.73 3hsf h GLN 59 N -0.34 1.26 0.00 0.04 1.08 -1.06 -1.44 115.11 114.66 3hsf h GLN 59 Ca -0.00 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 3hsf h GLN 59 Cb 0.32 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3hsf h GLN 59 CO 0.01 0.85 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.36 3hsf h LEU 60 N 1.29 0.00 -0.49 1.46 3.38 -1.36 -2.56 115.31 117.04 3hsf h LEU 60 Ca 0.34 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 3hsf h LEU 60 Cb -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3hsf h LEU 60 CO -0.07 0.31 -0.75 -1.13 0.09 0.00 0.00 178.44 176.89 3hsf h ASN 61 N 0.00 0.06 1.64 -0.43 -0.73 -0.23 0.62 115.58 116.51 3hsf h ASN 61 Ca -0.00 -0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.05 3hsf h ASN 61 Cb 0.58 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 3hsf h ASN 61 CO 0.04 0.79 -0.36 -0.03 -0.37 0.00 0.00 177.43 177.50 3hsf h MET 62 N 0.03 0.00 0.12 6.67 4.05 -1.09 -3.34 114.93 121.37 3hsf h MET 62 Ca -0.01 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.11 3hsf h MET 62 Cb 1.33 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.13 3hsf h MET 62 CO 0.10 0.30 -1.50 1.88 0.23 0.00 0.00 176.91 177.92 3hsf h TYR 63 N 0.00 0.47 0.00 1.39 0.05 -1.44 -3.48 116.97 113.96 3hsf h TYR 63 Ca -0.01 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.43 3hsf h TYR 63 Cb 1.24 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3hsf h TYR 63 CO 0.00 1.59 0.00 0.41 -1.05 0.00 0.00 178.16 179.11 3hsf n GLY 64 N 1.77 -0.37 3.00 3.88 0.00 -0.93 -5.12 105.19 107.42 3hsf n GLY 64 Ca -0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3hsf n GLY 64 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hsf s TRP 65 N 0.00 0.03 0.35 1.61 0.52 0.17 -4.76 118.94 116.86 3hsf s TRP 65 Ca 0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.04 3hsf s TRP 65 Cb 0.00 -0.04 0.01 0.00 -1.15 0.00 0.00 33.47 32.28 3hsf s TRP 65 CO 0.00 -0.14 0.49 -1.01 0.02 0.00 0.00 176.95 176.31 3hsf s HIS 66 N -0.69 1.07 -0.35 -1.98 3.76 -0.82 -3.99 115.29 112.29 3hsf s HIS 66 Ca -0.08 -1.31 0.10 0.00 -0.15 0.00 0.00 55.06 53.62 3hsf s HIS 66 Cb -0.05 -0.07 0.45 0.00 1.11 0.00 0.00 32.58 34.03 3hsf s HIS 66 CO 0.00 -1.16 1.11 0.36 -0.85 0.00 0.00 174.74 174.20 3hsf n LYS 67 N -0.58 2.97 -2.16 1.40 0.00 -1.26 -0.76 118.16 117.77 3hsf n LYS 67 Ca 0.01 -4.11 -0.05 0.00 -0.00 0.00 0.00 58.31 54.16 3hsf n LYS 67 Cb 0.61 -2.04 -0.01 0.00 -0.00 0.00 0.00 35.03 33.59 3hsf n LYS 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3hsf n VAL 68 N -0.51 -0.19 -2.53 0.58 3.14 -1.26 -3.76 118.33 113.80 3hsf n VAL 68 Ca 0.33 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.68 3hsf n VAL 68 Cb 0.80 -0.67 -0.02 0.00 -1.06 0.00 0.00 33.84 32.89 3hsf n VAL 68 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hsf n GLN 69 N -2.32 -3.88 -1.98 1.45 6.02 -1.26 -4.70 117.38 110.71 3hsf n GLN 69 Ca -0.06 2.91 -0.36 0.00 -0.01 0.00 0.00 57.00 59.48 3hsf n GLN 69 Cb 0.46 -3.90 -0.03 0.00 1.02 0.00 0.00 30.24 27.78 3hsf n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hsf s ASP 70 N -0.48 5.13 0.18 1.08 1.01 -1.25 -4.95 116.67 117.39 3hsf s ASP 70 Ca -0.13 0.29 0.04 0.00 0.71 0.00 0.00 52.55 53.46 3hsf s ASP 70 Cb 0.01 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3hsf s ASP 70 CO 0.35 -2.51 0.28 -0.69 0.21 0.00 0.00 175.17 172.81 3hsf s VAL 71 N 9.67 5.17 0.44 -1.27 1.01 -1.26 -4.89 120.40 129.27 3hsf s VAL 71 Ca 0.71 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3hsf s VAL 71 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hsf s VAL 71 CO 0.18 -0.16 0.03 -0.75 0.00 0.00 0.00 175.10 174.41 3hsf s LYS 72 N -3.42 2.01 0.13 2.72 2.47 -1.26 -5.05 119.74 117.33 3hsf s LYS 72 Ca 0.34 -2.21 -0.29 0.00 -1.56 0.00 0.00 55.97 52.25 3hsf s LYS 72 Cb -0.10 -1.31 -0.06 0.00 -1.46 0.00 0.00 37.83 34.90 3hsf s LYS 72 CO 0.28 -0.27 1.58 0.77 0.16 0.00 0.00 175.35 177.87 3hsf h SER 73 N 1.65 -1.29 0.00 1.43 0.02 -2.00 -3.38 113.55 109.99 3hsf h SER 73 Ca -0.42 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3hsf h SER 73 Cb 1.28 0.52 0.00 0.00 0.14 0.00 0.00 62.40 64.34 3hsf h SER 73 CO 0.72 -0.43 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 3hsf n GLY 74 N -1.44 0.18 0.00 -3.77 0.00 -1.26 -5.12 105.19 93.78 3hsf n GLY 74 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.34 0.00 -2.91 1.61 7.64 -1.26 -5.11 113.62 112.25 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 0.23 -3.01 0.00 0.00 175.04 172.26 3hsf n MET 76 N 0.00 -2.24 -2.42 1.43 2.00 -1.26 -4.37 117.12 110.26 3hsf n MET 76 Ca 0.00 2.00 -0.40 0.00 0.00 0.00 0.00 57.70 59.30 3hsf n MET 76 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 33.22 29.61 3hsf n MET 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3hsf s LEU 77 N -1.33 3.25 0.00 4.03 2.96 -1.26 -4.17 118.68 122.16 3hsf s LEU 77 Ca -0.01 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3hsf s LEU 77 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 3hsf s LEU 77 CO 0.47 -1.95 0.00 -1.54 -1.32 0.00 0.00 176.35 172.01 3hsf n SER 78 N 10.26 0.00 -0.27 3.68 3.41 -1.26 -5.16 113.62 124.29 3hsf n SER 78 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3hsf n SER 78 Cb 0.50 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 3hsf n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hsf n ASN 79 N -2.06 -3.61 0.07 4.04 5.03 -1.26 -4.91 115.26 112.57 3hsf n ASN 79 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3hsf n ASN 79 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3hsf n ASN 79 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3hsf n ASN 80 N -2.79 -0.06 -4.63 6.41 5.15 -1.26 -5.12 115.26 112.96 3hsf n ASN 80 Ca 0.00 0.25 -0.25 0.00 -0.60 0.00 0.00 54.58 53.98 3hsf n ASN 80 Cb 0.00 0.20 0.11 0.00 -0.53 0.00 0.00 39.78 39.56 3hsf n ASN 80 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3hsf s ASP 81 N -4.56 4.25 0.00 1.20 1.11 -1.26 -5.10 116.67 112.31 3hsf s ASP 81 Ca 0.00 -0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.61 3hsf s ASP 81 Cb 0.00 -0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.72 3hsf s ASP 81 CO 0.00 -1.94 0.00 -1.54 1.18 0.00 0.00 175.17 172.87 3hsf n SER 82 N -2.98 0.00 -2.07 0.27 3.41 -1.26 -4.91 113.62 106.08 3hsf n SER 82 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3hsf n SER 82 Cb 0.60 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3hsf n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hsf n ARG 83 N 0.00 -1.85 -0.30 4.33 5.12 -1.14 -4.94 116.66 117.88 3hsf n ARG 83 Ca 0.00 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 3hsf n ARG 83 Cb 0.00 -5.18 0.00 0.00 -1.16 0.00 0.00 32.46 26.12 3hsf n ARG 83 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 3hsf n TRP 84 N -2.91 -1.82 -3.76 -1.55 4.27 -1.22 -4.88 117.44 105.55 3hsf n TRP 84 Ca -0.15 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.38 3hsf n TRP 84 Cb 0.56 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.50 3hsf n TRP 84 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 3hsf n GLU 85 N -0.53 0.46 -3.80 -2.67 0.28 -1.26 -2.58 120.64 110.54 3hsf n GLU 85 Ca 0.00 -1.55 -0.30 0.00 -0.16 0.00 0.00 57.16 55.15 3hsf n GLU 85 Cb 0.00 1.58 -0.15 0.00 1.43 0.00 0.00 31.44 34.30 3hsf n GLU 85 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3hsf s PHE 86 N -4.09 2.21 0.07 -1.84 0.08 -0.80 -4.44 117.98 109.16 3hsf s PHE 86 Ca 0.15 -2.08 0.03 0.00 0.12 0.00 0.00 56.93 55.15 3hsf s PHE 86 Cb -0.01 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3hsf s PHE 86 CO 0.11 -0.89 0.07 -2.00 -0.10 0.00 0.00 175.22 172.41 3hsf s GLU 87 N 1.37 2.88 0.46 0.44 2.12 0.06 -2.22 118.70 123.81 3hsf s GLU 87 Ca 0.11 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.81 3hsf s GLU 87 Cb -0.18 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 3hsf s GLU 87 CO -0.20 0.58 0.03 0.54 -0.54 0.00 0.00 175.26 175.67 3hsf s ASN 88 N -2.27 4.07 -0.43 -1.70 4.22 -1.26 -1.94 114.94 115.63 3hsf s ASN 88 Ca 0.28 -1.48 0.05 0.00 -2.14 0.00 0.00 52.86 49.58 3hsf s ASN 88 Cb -0.12 0.05 0.19 0.00 1.28 0.00 0.00 41.25 42.66 3hsf s ASN 88 CO 0.20 -0.67 0.47 -1.84 -2.04 0.00 0.00 177.10 173.22 3hsf n GLU 89 N -1.16 0.38 -1.29 3.55 0.28 -1.26 -4.94 120.64 116.21 3hsf n GLU 89 Ca -0.11 -2.93 0.02 0.00 -0.16 0.00 0.00 57.16 53.98 3hsf n GLU 89 Cb 0.67 -1.53 0.10 0.00 1.43 0.00 0.00 31.44 32.11 3hsf n GLU 89 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3hsf n ARG 90 N 2.48 1.14 -4.05 3.44 0.63 -1.26 -5.06 116.66 113.99 3hsf n ARG 90 Ca 0.25 -2.88 -0.31 0.00 -0.92 0.00 0.00 57.85 53.99 3hsf n ARG 90 Cb 0.51 -1.03 -0.06 0.00 0.45 0.00 0.00 32.46 32.33 3hsf n ARG 90 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 3hsf s HIS 91 N -2.01 3.24 0.00 -0.14 -3.43 -1.26 -5.31 115.29 106.37 3hsf s HIS 91 Ca 0.37 0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 3hsf s HIS 91 Cb 0.38 -1.65 0.00 0.00 -1.43 0.00 0.00 32.58 29.87 3hsf s HIS 91 CO -0.10 0.53 0.00 0.00 -2.00 0.00 0.00 174.74 173.17