#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 -0.09 -6.20 0.00 3.08 -2.04 -3.42 114.38 105.72 3hsf h ARG 2 Ca 0.00 0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.49 3hsf h ARG 2 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3hsf h ARG 2 CO 0.00 0.36 0.94 -1.25 -1.07 0.00 0.00 179.97 178.95 3hsf s PRO 3 N -4.22 4.15 0.62 0.04 0.04 -1.26 -4.88 135.00 129.50 3hsf s PRO 3 Ca -0.15 1.63 0.37 0.00 0.04 0.00 0.00 61.00 62.89 3hsf s PRO 3 Cb 0.02 -3.81 2.06 0.00 0.04 0.00 0.00 34.50 32.80 3hsf s PRO 3 CO 0.63 -0.81 2.29 0.00 0.04 0.00 0.00 177.00 179.14 3hsf h ALA 4 N 8.60 1.24 0.00 8.56 0.00 -2.00 -2.42 119.26 133.24 3hsf h ALA 4 Ca -0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hsf h ALA 4 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hsf h ALA 4 CO 0.98 0.01 -0.00 0.35 0.00 0.00 0.00 179.25 180.59 3hsf h PHE 5 N 0.00 -0.00 0.00 0.00 3.57 -1.96 -2.44 116.94 116.11 3hsf h PHE 5 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3hsf h PHE 5 Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 3hsf h PHE 5 CO 0.00 0.56 -0.07 0.28 -2.23 0.00 0.00 178.31 176.85 3hsf h VAL 6 N -0.57 0.60 0.20 1.41 2.07 -1.85 -2.54 116.25 115.56 3hsf h VAL 6 Ca -0.00 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3hsf h VAL 6 Cb 0.57 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3hsf h VAL 6 CO 0.00 0.07 -0.10 0.78 0.02 0.00 0.00 177.57 178.34 3hsf h ASN 7 N 0.00 -0.23 0.09 0.57 4.21 -1.28 -2.98 115.58 115.96 3hsf h ASN 7 Ca -0.00 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.21 3hsf h ASN 7 Cb 0.18 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 3hsf h ASN 7 CO 0.01 0.22 -0.03 0.07 -1.29 0.00 0.00 177.43 176.41 3hsf h LYS 8 N -0.74 0.00 -0.25 0.81 2.10 -1.19 -1.91 116.57 115.40 3hsf h LYS 8 Ca -0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 3hsf h LYS 8 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 3hsf h LYS 8 CO 0.04 0.03 -0.40 1.25 -2.00 0.00 0.00 179.45 178.37 3hsf h LEU 9 N 0.00 0.62 0.00 7.07 5.85 -1.35 -1.98 115.31 125.51 3hsf h LEU 9 Ca -0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3hsf h LEU 9 Cb 0.08 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3hsf h LEU 9 CO 0.00 0.95 0.00 0.79 -0.34 0.00 0.00 178.44 179.84 3hsf n TRP 10 N -4.03 0.00 0.01 1.25 5.03 -0.72 -2.59 117.44 116.38 3hsf n TRP 10 Ca -0.02 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.53 3hsf n TRP 10 Cb 0.52 -0.32 -0.03 0.00 -1.03 0.00 0.00 31.31 30.45 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 -1.32 4.05 -0.01 -0.99 2.88 -1.06 -4.61 113.62 112.55 3hsf n SER 11 Ca 0.08 -0.03 -0.15 0.00 -1.33 0.00 0.00 58.87 57.45 3hsf n SER 11 Cb 0.15 1.15 -0.14 0.00 -0.75 0.00 0.00 64.21 64.62 3hsf n SER 11 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 3hsf n MET 12 N -1.59 0.69 0.31 -1.46 0.00 -0.77 -3.71 117.12 110.59 3hsf n MET 12 Ca -0.01 0.28 -0.12 0.00 0.00 0.00 0.00 57.70 57.85 3hsf n MET 12 Cb 0.09 -1.75 -0.06 0.00 0.00 0.00 0.00 33.22 31.50 3hsf n MET 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3hsf h VAL 13 N 0.03 0.00 -1.16 3.17 2.07 -1.75 -3.15 116.25 115.46 3hsf h VAL 13 Ca -0.35 -0.06 -0.54 0.00 0.82 0.00 0.00 66.70 66.57 3hsf h VAL 13 Cb 2.03 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.61 3hsf h VAL 13 CO 0.08 0.00 0.59 -0.46 0.02 0.00 0.00 177.57 177.80 3hsf n ASN 14 N -4.28 6.67 -4.86 0.57 0.23 -1.26 -4.67 115.26 107.65 3hsf n ASN 14 Ca -0.10 -3.26 -0.36 0.00 -0.53 0.00 0.00 54.58 50.34 3hsf n ASN 14 Cb 0.31 -1.23 -0.06 0.00 -2.08 0.00 0.00 39.78 36.73 3hsf n ASN 14 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hsf s ASP 15 N 0.22 6.65 0.17 0.53 2.15 -1.19 -4.97 116.67 120.23 3hsf s ASP 15 Ca 0.58 0.78 0.22 0.00 0.43 0.00 0.00 52.55 54.56 3hsf s ASP 15 Cb 0.37 -2.18 0.88 0.00 -0.30 0.00 0.00 42.92 41.69 3hsf s ASP 15 CO -0.23 0.25 1.67 0.29 -0.17 0.00 0.00 175.17 176.97 3hsf n LYS 16 N 1.28 0.14 0.05 4.34 5.02 -1.26 -2.65 118.16 125.07 3hsf n LYS 16 Ca -0.11 0.33 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 3hsf n LYS 16 Cb 0.53 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 3hsf n LYS 16 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hsf h SER 17 N 0.00 0.00 -0.55 4.39 0.87 -1.95 -3.35 113.55 112.97 3hsf h SER 17 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 3hsf h SER 17 Cb 0.39 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.16 3hsf h SER 17 CO 0.00 0.46 0.05 0.59 -0.53 0.00 0.00 176.83 177.40 3hsf n ASN 18 N -2.86 3.26 0.22 6.23 3.02 -1.09 -4.65 115.26 119.40 3hsf n ASN 18 Ca -0.07 -3.77 0.06 0.00 -0.03 0.00 0.00 54.58 50.77 3hsf n ASN 18 Cb 0.78 -0.68 0.51 0.00 -0.61 0.00 0.00 39.78 39.78 3hsf n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hsf h GLU 19 N 1.17 0.00 -0.85 3.52 5.08 -1.68 -2.40 114.58 119.42 3hsf h GLU 19 Ca 0.34 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.22 3hsf h GLU 19 Cb 1.80 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.78 3hsf h GLU 19 CO 0.64 0.23 0.48 1.63 -1.00 0.00 0.00 179.01 180.98 3hsf n LYS 20 N -4.06 2.29 0.00 2.33 4.76 -1.26 -4.48 118.16 117.75 3hsf n LYS 20 Ca -0.02 -3.15 0.00 0.00 -2.87 0.00 0.00 58.31 52.27 3hsf n LYS 20 Cb 0.30 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3hsf n PHE 21 N -1.09 0.00 -4.16 2.13 3.72 -0.94 -5.00 117.46 112.12 3hsf n PHE 21 Ca 0.54 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.80 3hsf n PHE 21 Cb 1.32 0.09 -0.11 0.00 -0.94 0.00 0.00 39.48 39.84 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 -1.22 0.86 0.19 4.37 2.07 -0.98 -4.61 121.20 121.88 3hsf s ILE 22 Ca 0.00 -1.58 -0.18 0.00 -1.41 0.00 0.00 60.65 57.48 3hsf s ILE 22 Cb 0.00 -1.28 0.03 0.00 0.13 0.00 0.00 42.46 41.34 3hsf s ILE 22 CO 0.00 -0.56 0.52 -2.28 -1.91 0.00 0.00 174.94 170.71 3hsf s HIS 23 N -2.39 -0.15 0.54 3.50 2.46 -1.23 -4.68 115.29 113.35 3hsf s HIS 23 Ca 0.04 -0.19 -0.06 0.00 0.47 0.00 0.00 55.06 55.32 3hsf s HIS 23 Cb -0.03 0.39 -0.02 0.00 -0.13 0.00 0.00 32.58 32.79 3hsf s HIS 23 CO -0.00 -0.90 0.86 -1.58 -2.47 0.00 0.00 174.74 170.64 3hsf s TRP 24 N -3.86 3.45 0.71 3.88 0.52 -1.26 -2.21 118.94 120.16 3hsf s TRP 24 Ca 0.08 0.79 -0.07 0.00 0.02 0.00 0.00 56.10 56.93 3hsf s TRP 24 Cb -0.01 -2.52 0.07 0.00 -1.15 0.00 0.00 33.47 29.86 3hsf s TRP 24 CO -0.04 -0.54 1.02 0.45 0.02 0.00 0.00 176.95 177.86 3hsf s SER 25 N -4.19 4.75 -0.50 2.95 0.15 -0.52 -4.75 113.70 111.58 3hsf s SER 25 Ca 0.51 0.41 -0.28 0.00 0.70 0.00 0.00 55.95 57.28 3hsf s SER 25 Cb -0.10 -1.03 0.02 0.00 -1.71 0.00 0.00 66.02 63.19 3hsf s SER 25 CO 0.46 -1.64 1.35 -0.89 1.20 0.00 0.00 173.24 173.72 3hsf s THR 26 N -3.25 3.91 0.38 6.45 2.01 -1.26 -4.71 115.64 119.17 3hsf s THR 26 Ca 0.61 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.46 3hsf s THR 26 Cb -0.10 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 67.98 3hsf s THR 26 CO 0.45 -1.04 0.00 -1.20 -0.69 0.00 0.00 174.62 172.14 3hsf n SER 27 N 8.96 -7.54 0.00 3.53 7.64 -1.26 -4.98 113.62 119.97 3hsf n SER 27 Ca 0.13 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3hsf n SER 27 Cb 0.49 -3.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 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 -0.41 -0.35 2.59 0.23 0.00 -1.26 -4.83 105.19 101.16 3hsf n GLY 28 Ca 0.00 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 3hsf n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hsf s GLU 29 N 0.00 0.68 0.00 1.61 2.12 -1.26 -4.91 118.70 116.94 3hsf s GLU 29 Ca 0.00 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.06 3hsf s GLU 29 Cb 0.00 -1.01 -0.00 0.00 0.26 0.00 0.00 34.13 33.38 3hsf s GLU 29 CO 0.00 -1.25 -0.01 -1.12 -0.54 0.00 0.00 175.26 172.35 3hsf s SER 30 N 1.01 0.09 -0.36 -1.70 0.01 -1.26 -4.00 113.70 107.50 3hsf s SER 30 Ca 0.21 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.26 3hsf s SER 30 Cb -0.14 0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 3hsf s SER 30 CO -0.05 -0.02 0.39 -0.63 0.41 0.00 0.00 173.24 173.35 3hsf s ILE 31 N -0.13 5.14 -0.15 1.44 1.01 -0.47 -1.44 121.20 126.60 3hsf s ILE 31 Ca -0.01 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 3hsf s ILE 31 Cb -0.01 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3hsf s ILE 31 CO -0.00 -0.17 0.46 -0.69 0.00 0.00 0.00 174.94 174.54 3hsf s VAL 32 N 2.08 5.18 -0.58 2.92 1.01 -0.94 -1.19 120.40 128.89 3hsf s VAL 32 Ca 0.13 0.88 0.04 0.00 0.00 0.00 0.00 61.98 63.03 3hsf s VAL 32 Cb -0.16 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.56 3hsf s VAL 32 CO 0.12 0.29 0.34 -0.69 0.00 0.00 0.00 175.10 175.16 3hsf s VAL 33 N 0.91 2.67 0.40 2.92 1.01 -0.93 -3.49 120.40 123.89 3hsf s VAL 33 Ca 0.24 -3.63 0.28 0.00 0.00 0.00 0.00 61.98 58.86 3hsf s VAL 33 Cb -0.15 -2.82 0.30 0.00 0.00 0.00 0.00 36.38 33.71 3hsf s VAL 33 CO 0.09 -0.87 2.07 1.55 0.00 0.00 0.00 175.10 177.94 3hsf h PRO 34 N 6.13 0.00 -2.93 2.72 0.13 -1.82 -3.26 132.00 132.96 3hsf h PRO 34 Ca -0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.56 3hsf h PRO 34 Cb 0.85 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.58 3hsf h PRO 34 CO 0.70 0.11 -0.79 -0.80 -0.23 0.00 0.00 178.00 176.99 3hsf s ASN 35 N -6.12 3.51 0.21 1.44 0.01 -1.26 -4.20 114.94 108.53 3hsf s ASN 35 Ca -0.03 -1.75 0.10 0.00 -0.71 0.00 0.00 52.86 50.47 3hsf s ASN 35 Cb 0.13 -0.56 0.09 0.00 0.41 0.00 0.00 41.25 41.32 3hsf s ASN 35 CO 0.58 -0.38 1.45 0.08 -1.51 0.00 0.00 177.10 177.32 3hsf h ARG 36 N 7.78 0.00 -0.36 -0.60 0.11 -1.83 -2.47 114.38 117.01 3hsf h ARG 36 Ca -0.10 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.83 3hsf h ARG 36 Cb 0.99 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.06 3hsf h ARG 36 CO 0.40 0.77 -0.39 1.05 0.10 0.00 0.00 179.97 181.90 3hsf h GLU 37 N 0.00 0.88 0.03 0.08 4.11 -1.95 -2.43 114.58 115.30 3hsf h GLU 37 Ca -0.01 -0.46 -0.24 0.00 0.07 0.00 0.00 59.36 58.72 3hsf h GLU 37 Cb 1.42 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.71 3hsf h GLU 37 CO 0.10 1.11 -0.95 0.00 0.07 0.00 0.00 179.01 179.34 3hsf h ARG 38 N 0.72 0.59 0.17 1.06 3.08 -1.98 -2.59 114.38 115.42 3hsf h ARG 38 Ca 0.06 -0.68 -0.01 0.00 0.07 0.00 0.00 59.98 59.42 3hsf h ARG 38 Cb 0.97 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3hsf h ARG 38 CO 0.09 1.27 -0.10 0.35 -1.07 0.00 0.00 179.97 180.51 3hsf h PHE 39 N 0.19 -0.28 -0.73 3.04 3.57 -1.45 -2.53 116.94 118.76 3hsf h PHE 39 Ca -0.13 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.51 3hsf h PHE 39 Cb 1.63 0.10 -0.09 0.00 2.79 0.00 0.00 35.95 40.38 3hsf h PHE 39 CO 0.12 -0.15 0.26 0.28 -2.23 0.00 0.00 178.31 176.59 3hsf h VAL 40 N -0.25 0.64 -0.93 1.41 2.07 -1.59 0.28 116.25 117.88 3hsf h VAL 40 Ca -0.02 -0.14 0.21 0.00 0.82 0.00 0.00 66.70 67.57 3hsf h VAL 40 Cb 0.20 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.07 3hsf h VAL 40 CO 0.02 0.07 0.49 1.56 0.02 0.00 0.00 177.57 179.73 3hsf h GLN 41 N 0.40 0.54 -0.28 1.57 1.08 -1.34 -2.60 115.11 114.47 3hsf h GLN 41 Ca 0.40 -0.03 -0.23 0.00 -1.45 0.00 0.00 58.65 57.33 3hsf h GLN 41 Cb 0.61 -0.12 -0.29 0.00 -0.05 0.00 0.00 27.48 27.63 3hsf h GLN 41 CO -0.41 0.35 -0.84 0.39 -0.95 0.00 0.00 178.83 177.37 3hsf n GLU 42 N -4.92 1.76 0.00 1.46 1.02 -0.60 -4.84 120.64 114.52 3hsf n GLU 42 Ca 0.22 -3.26 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 3hsf n GLU 42 Cb 0.62 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.52 0.00 0.04 2.62 0.31 0.89 -4.78 118.33 116.89 3hsf n VAL 43 Ca 0.20 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.40 3hsf n VAL 43 Cb 0.90 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.74 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 -1.23 7.52 5.85 -1.53 -2.96 115.31 122.87 3hsf h LEU 44 Ca 0.00 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 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 0.29 -0.15 1.55 -0.34 0.00 0.00 178.44 179.79 3hsf h PRO 45 N -0.48 0.00 -0.19 5.25 0.13 -1.78 -2.42 132.00 132.51 3hsf h PRO 45 Ca -0.01 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3hsf h PRO 45 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3hsf h PRO 45 CO 0.02 0.15 0.27 0.87 -0.23 0.00 0.00 178.00 179.07 3hsf h LYS 46 N 0.00 0.00 0.00 0.86 1.79 -1.82 -3.27 116.57 114.13 3hsf h LYS 46 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3hsf h LYS 46 Cb 0.66 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3hsf h LYS 46 CO 0.02 0.00 -0.56 0.66 -1.08 0.00 0.00 179.45 178.48 3hsf n TYR 47 N -3.56 0.00 -2.10 -1.35 4.02 -1.08 -5.06 117.16 108.03 3hsf n TYR 47 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.80 3hsf n TYR 47 Cb 0.38 -0.23 0.06 0.00 -0.02 0.00 0.00 39.34 39.53 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 -3.85 -3.43 -4.15 -0.72 3.72 -0.93 -5.10 117.46 103.00 3hsf n PHE 48 Ca -0.08 -0.68 -0.23 0.00 -0.05 0.00 0.00 57.45 56.41 3hsf n PHE 48 Cb 0.27 -0.35 -0.17 0.00 -0.94 0.00 0.00 39.48 38.29 3hsf n PHE 48 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hsf s LYS 49 N -3.76 1.11 -1.16 -1.08 -0.14 -1.26 -4.43 119.74 109.02 3hsf s LYS 49 Ca 0.30 -0.17 -0.02 0.00 -1.36 0.00 0.00 55.97 54.72 3hsf s LYS 49 Cb -0.01 -1.12 -0.02 0.00 -1.68 0.00 0.00 37.83 35.00 3hsf s LYS 49 CO 0.20 -0.12 0.96 0.72 -0.76 0.00 0.00 175.35 176.35 3hsf n HIS 50 N 4.32 -2.25 -3.56 3.18 8.25 -1.26 -5.02 115.22 118.87 3hsf n HIS 50 Ca -0.19 0.91 -0.07 0.00 -0.26 0.00 0.00 57.72 58.10 3hsf n HIS 50 Cb 0.51 -4.75 0.00 0.00 1.12 0.00 0.00 29.99 26.87 3hsf n HIS 50 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hsf n SER 51 N -3.15 1.39 -2.94 0.41 7.64 -1.26 -5.13 113.62 110.58 3hsf n SER 51 Ca -0.22 -1.49 -0.07 0.00 1.01 0.00 0.00 58.87 58.09 3hsf n SER 51 Cb 0.65 -0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.87 3hsf n SER 51 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hsf s ASN 52 N -1.84 0.03 0.22 6.43 4.22 -1.26 -4.97 114.94 117.77 3hsf s ASN 52 Ca 0.09 -1.09 -0.08 0.00 -2.14 0.00 0.00 52.86 49.64 3hsf s ASN 52 Cb -0.01 0.78 0.25 0.00 1.28 0.00 0.00 41.25 43.55 3hsf s ASN 52 CO 0.05 -1.55 1.83 -0.26 -2.04 0.00 0.00 177.10 175.13 3hsf h PHE 53 N 2.00 0.81 0.00 1.54 0.04 -2.00 -1.38 116.94 117.95 3hsf h PHE 53 Ca -0.32 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.43 3hsf h PHE 53 Cb 1.24 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 3hsf h PHE 53 CO 1.49 0.42 -0.18 0.00 -0.60 0.00 0.00 178.31 179.43 3hsf h ALA 54 N 1.35 1.68 -0.11 2.45 0.00 -1.98 -2.19 119.26 120.46 3hsf h ALA 54 Ca 0.32 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hsf h ALA 54 Cb 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hsf h ALA 54 CO -0.16 0.22 -0.19 1.03 0.00 0.00 0.00 179.25 180.16 3hsf h SER 55 N 0.00 0.35 -0.32 0.00 0.87 -1.65 -0.68 113.55 112.12 3hsf h SER 55 Ca -0.00 -0.54 -0.03 0.00 -1.23 0.00 0.00 61.79 59.98 3hsf h SER 55 Cb 0.32 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3hsf h SER 55 CO 0.02 0.83 0.11 0.15 -0.53 0.00 0.00 176.83 177.41 3hsf h PHE 56 N -0.11 0.58 0.00 2.24 3.57 -1.24 -1.41 116.94 120.56 3hsf h PHE 56 Ca 0.01 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 3hsf h PHE 56 Cb 0.76 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3hsf h PHE 56 CO 0.10 0.49 -0.27 0.28 -2.23 0.00 0.00 178.31 176.68 3hsf h VAL 57 N 0.56 0.50 -0.07 1.41 2.07 -1.34 -2.79 116.25 116.60 3hsf h VAL 57 Ca 0.13 -1.56 -0.18 0.00 0.82 0.00 0.00 66.70 65.91 3hsf h VAL 57 Cb 0.19 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3hsf h VAL 57 CO -0.01 0.27 -0.71 0.03 0.02 0.00 0.00 177.57 177.17 3hsf h ARG 58 N 0.00 0.36 0.02 1.57 3.08 -0.02 -1.68 114.38 117.71 3hsf h ARG 58 Ca -0.00 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 3hsf h ARG 58 Cb 1.11 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3hsf h ARG 58 CO 0.04 0.93 -0.01 1.96 -1.07 0.00 0.00 179.97 181.82 3hsf h GLN 59 N 0.25 -0.02 -0.11 0.04 1.08 -1.44 -2.38 115.11 112.52 3hsf h GLN 59 Ca -0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3hsf h GLN 59 Cb 1.28 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 3hsf h GLN 59 CO 0.12 0.72 0.01 -0.07 -0.95 0.00 0.00 178.83 178.66 3hsf h LEU 60 N -0.83 0.13 0.02 1.46 3.38 -1.57 -2.42 115.31 115.50 3hsf h LEU 60 Ca -0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3hsf h LEU 60 Cb 0.75 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.48 3hsf h LEU 60 CO 0.00 0.16 -0.61 -1.13 0.09 0.00 0.00 178.44 176.95 3hsf h ASN 61 N 0.15 0.50 0.46 -0.43 -0.00 -1.36 0.47 115.58 115.37 3hsf h ASN 61 Ca 0.04 -0.79 0.00 0.00 -0.00 0.00 0.00 56.30 55.55 3hsf h ASN 61 Cb 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.25 3hsf h ASN 61 CO -0.00 1.23 0.00 -0.03 -0.00 0.00 0.00 177.43 178.63 3hsf h MET 62 N -0.18 0.00 0.05 6.67 4.05 -1.15 -3.05 114.93 121.33 3hsf h MET 62 Ca -0.08 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.01 3hsf h MET 62 Cb 1.34 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.11 3hsf h MET 62 CO 0.12 0.00 -1.82 0.66 0.23 0.00 0.00 176.91 176.10 3hsf n TYR 63 N -2.77 0.93 0.00 1.39 4.01 -0.94 -5.01 117.16 114.78 3hsf n TYR 63 Ca -0.01 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 3hsf n TYR 63 Cb 0.17 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.09 3hsf n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hsf n GLY 64 N 1.73 0.46 3.63 2.72 0.00 -0.95 -5.11 105.19 107.67 3hsf n GLY 64 Ca -0.36 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.18 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 2.15 -4.28 1.61 7.02 0.11 -4.87 117.44 119.18 3hsf n TRP 65 Ca 0.00 0.02 -0.27 0.00 -1.02 0.00 0.00 57.50 56.23 3hsf n TRP 65 Cb 0.00 -2.65 -0.09 0.00 -2.42 0.00 0.00 31.31 26.14 3hsf n TRP 65 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3hsf s HIS 66 N 5.34 2.66 0.80 -5.99 3.76 -0.47 -4.08 115.29 117.30 3hsf s HIS 66 Ca 0.97 -0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 55.55 3hsf s HIS 66 Cb -0.66 -1.31 0.07 0.00 1.11 0.00 0.00 32.58 31.78 3hsf s HIS 66 CO 0.49 0.50 1.11 0.15 -0.85 0.00 0.00 174.74 176.13 3hsf s LYS 67 N -2.75 2.10 -0.22 1.40 1.02 -1.26 -2.82 119.74 117.21 3hsf s LYS 67 Ca 0.24 0.54 -0.09 0.00 0.02 0.00 0.00 55.97 56.68 3hsf s LYS 67 Cb -0.09 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 3hsf s LYS 67 CO 0.15 -1.59 0.11 0.54 -0.92 0.00 0.00 175.35 173.64 3hsf s VAL 68 N -3.23 4.99 -0.03 3.17 0.11 -1.26 -4.88 120.40 119.27 3hsf s VAL 68 Ca 0.61 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.70 3hsf s VAL 68 Cb -0.14 -3.29 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 3hsf s VAL 68 CO 0.53 0.40 -0.03 0.00 -3.33 0.00 0.00 175.10 172.67 3hsf n GLN 69 N 4.03 0.06 -0.52 1.54 6.02 -1.26 -4.96 117.38 122.29 3hsf n GLN 69 Ca -0.16 0.02 0.07 0.00 -0.01 0.00 0.00 57.00 56.92 3hsf n GLN 69 Cb 0.52 -0.92 -0.02 0.00 1.02 0.00 0.00 30.24 30.84 3hsf n GLN 69 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3hsf n ASP 70 N -2.73 -6.43 0.00 1.08 -0.08 -1.26 -3.72 116.55 103.41 3hsf n ASP 70 Ca -0.05 0.56 0.13 0.00 -1.51 0.00 0.00 54.79 53.92 3hsf n ASP 70 Cb 0.54 -1.56 0.61 0.00 2.34 0.00 0.00 41.12 43.05 3hsf n ASP 70 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3hsf n VAL 71 N -2.67 0.11 -4.40 5.18 0.31 -1.26 -4.76 118.33 110.85 3hsf n VAL 71 Ca 0.00 0.03 -0.35 0.00 -0.01 0.00 0.00 64.34 64.02 3hsf n VAL 71 Cb 0.24 -0.56 -0.10 0.00 -0.91 0.00 0.00 33.84 32.51 3hsf n VAL 71 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3hsf s LYS 72 N -2.92 3.09 0.11 5.55 -2.85 -1.24 -5.01 119.74 116.48 3hsf s LYS 72 Ca 0.16 -0.44 -0.13 0.00 -1.00 0.00 0.00 55.97 54.56 3hsf s LYS 72 Cb 0.18 -2.80 -0.09 0.00 -2.06 0.00 0.00 37.83 33.06 3hsf s LYS 72 CO 0.49 0.61 1.41 0.66 0.10 0.00 0.00 175.35 178.61 3hsf h SER 73 N 5.47 0.89 0.00 0.03 4.64 -1.86 -3.47 113.55 119.26 3hsf h SER 73 Ca -0.47 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 3hsf h SER 73 Cb 1.19 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3hsf h SER 73 CO 0.56 1.23 0.00 0.61 -0.87 0.00 0.00 176.83 178.36 3hsf n GLY 74 N 0.29 3.36 0.92 -0.77 0.00 -1.26 -5.06 105.19 102.67 3hsf n GLY 74 Ca -0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.84 0.00 1.61 3.41 -1.26 -5.04 113.62 111.50 3hsf n SER 75 Ca 0.00 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 3hsf n SER 75 Cb 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.00 0.00 -1.71 4.33 1.56 -1.26 -4.95 117.12 115.09 3hsf n MET 76 Ca -0.23 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 56.77 3hsf n MET 76 Cb 0.63 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.99 3hsf n MET 76 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 3hsf n LEU 77 N 0.00 3.75 0.00 -0.89 -0.00 -1.26 -4.98 117.00 113.61 3hsf n LEU 77 Ca 0.00 1.18 0.00 0.00 -0.00 0.00 0.00 56.01 57.19 3hsf n LEU 77 Cb 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 41.91 3hsf n LEU 77 CO 0.00 -0.26 0.00 -1.20 -0.00 0.00 0.00 177.39 175.93 3hsf n SER 78 N 1.49 0.00 -2.13 1.96 7.64 -1.26 -4.74 113.62 116.58 3hsf n SER 78 Ca 0.07 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.81 3hsf n SER 78 Cb 0.35 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.00 -4.17 -4.19 6.43 3.02 -1.26 -4.84 115.26 110.25 3hsf n ASN 79 Ca 0.00 0.21 -0.43 0.00 -0.03 0.00 0.00 54.58 54.33 3hsf n ASN 79 Cb 0.00 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 3hsf n ASN 79 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hsf n ASN 80 N -1.49 4.81 0.00 6.41 2.85 -1.26 -4.38 115.26 122.21 3hsf n ASN 80 Ca -0.16 -2.96 0.00 0.00 -0.11 0.00 0.00 54.58 51.34 3hsf n ASN 80 Cb 0.58 -1.62 0.00 0.00 1.24 0.00 0.00 39.78 39.98 3hsf n ASN 80 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3hsf n ASP 81 N 6.05 0.03 0.00 1.20 5.75 -1.26 -4.99 116.55 123.33 3hsf n ASP 81 Ca 0.44 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 3hsf n ASP 81 Cb 0.41 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 3hsf n ASP 81 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hsf n SER 82 N -0.32 0.00 -4.49 -1.12 3.41 -1.26 -4.99 113.62 104.85 3hsf n SER 82 Ca 0.00 0.00 -0.56 0.00 -0.26 0.00 0.00 58.87 58.05 3hsf n SER 82 Cb 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.75 -3.54 4.33 5.12 -1.26 -4.65 116.66 117.41 3hsf n ARG 83 Ca 0.00 0.23 -0.17 0.00 -1.93 0.00 0.00 57.85 55.98 3hsf n ARG 83 Cb 0.00 -2.05 -0.06 0.00 -1.16 0.00 0.00 32.46 29.19 3hsf n ARG 83 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 3hsf s TRP 84 N 5.68 -0.67 0.44 -1.55 1.48 -1.23 -5.05 118.94 118.04 3hsf s TRP 84 Ca 1.09 1.22 0.06 0.00 -1.06 0.00 0.00 56.10 57.40 3hsf s TRP 84 Cb -1.12 0.39 -0.06 0.00 -1.16 0.00 0.00 33.47 31.52 3hsf s TRP 84 CO 0.60 -0.57 0.02 -1.21 -4.06 0.00 0.00 176.95 171.73 3hsf s GLU 85 N -0.98 2.04 0.01 3.25 8.01 -1.26 -2.18 118.70 127.58 3hsf s GLU 85 Ca -0.09 -2.16 0.04 0.00 0.01 0.00 0.00 54.97 52.77 3hsf s GLU 85 Cb -0.01 -1.64 -0.01 0.00 -4.31 0.00 0.00 34.13 28.16 3hsf s GLU 85 CO 0.09 -0.14 -0.14 -0.06 0.01 0.00 0.00 175.26 175.02 3hsf s PHE 86 N -2.74 1.21 0.04 1.61 0.40 -0.34 -4.36 117.98 113.80 3hsf s PHE 86 Ca 0.28 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 56.27 3hsf s PHE 86 Cb 0.07 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.84 3hsf s PHE 86 CO 0.15 -0.00 0.14 -1.83 0.70 0.00 0.00 175.22 174.37 3hsf s GLU 87 N -0.58 0.65 -0.35 0.44 -1.05 -1.13 -1.37 118.70 115.32 3hsf s GLU 87 Ca 0.04 -0.74 0.05 0.00 -0.15 0.00 0.00 54.97 54.18 3hsf s GLU 87 Cb -0.06 0.26 0.18 0.00 -0.44 0.00 0.00 34.13 34.07 3hsf s GLU 87 CO 0.00 -0.18 0.52 1.21 0.95 0.00 0.00 175.26 177.77 3hsf s ASN 88 N -2.19 -0.60 0.02 0.83 2.47 -1.26 -1.36 114.94 112.85 3hsf s ASN 88 Ca -0.04 -0.62 0.00 0.00 0.42 0.00 0.00 52.86 52.62 3hsf s ASN 88 Cb -0.00 1.52 0.00 0.00 -1.45 0.00 0.00 41.25 41.31 3hsf s ASN 88 CO -0.05 -0.26 0.00 1.21 -3.72 0.00 0.00 177.10 174.28 3hsf n GLU 89 N 4.83 0.00 -3.43 0.43 2.13 -1.26 -4.98 120.64 118.36 3hsf n GLU 89 Ca 0.07 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.51 3hsf n GLU 89 Cb 0.52 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.15 3hsf n GLU 89 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3hsf s ARG 90 N -1.23 4.13 -0.20 5.31 1.70 -1.26 -4.95 118.95 122.46 3hsf s ARG 90 Ca 0.00 0.10 0.08 0.00 -0.47 0.00 0.00 55.73 55.45 3hsf s ARG 90 Cb 0.00 -3.56 -0.22 0.00 -0.57 0.00 0.00 34.95 30.60 3hsf s ARG 90 CO 0.00 -0.07 0.06 1.58 -1.08 0.00 0.00 175.30 175.79 3hsf n HIS 91 N 4.62 0.27 -0.48 5.89 -0.00 -1.26 -5.08 115.22 119.18 3hsf n HIS 91 Ca -0.09 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.16 3hsf n HIS 91 Cb 0.51 -1.04 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 3hsf n HIS 91 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80