#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 3.44 0.36 0.00 1.81 -1.26 -5.07 118.95 118.23 3hsf s ARG 2 Ca 0.00 -0.68 -0.10 0.00 -1.72 0.00 0.00 55.73 53.23 3hsf s ARG 2 Cb 0.00 -3.80 -0.07 0.00 -0.45 0.00 0.00 34.95 30.63 3hsf s ARG 2 CO 0.00 -0.47 0.71 -1.25 -0.68 0.00 0.00 175.30 173.62 3hsf s PRO 3 N 1.71 3.79 0.12 3.54 0.04 -1.26 -4.95 135.00 137.98 3hsf s PRO 3 Ca 0.06 0.40 0.18 0.00 0.04 0.00 0.00 61.00 61.68 3hsf s PRO 3 Cb -0.17 -2.46 0.76 0.00 0.04 0.00 0.00 34.50 32.67 3hsf s PRO 3 CO 0.10 0.06 1.56 0.00 0.04 0.00 0.00 177.00 178.75 3hsf n ALA 4 N -1.03 1.62 0.05 8.56 0.00 -1.26 -2.45 120.51 126.01 3hsf n ALA 4 Ca 0.02 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 3hsf n ALA 4 Cb 0.54 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 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 0.57 -0.03 0.00 3.57 -1.98 -2.30 116.94 116.77 3hsf h PHE 5 Ca 0.00 -0.41 -0.14 0.00 3.53 0.00 0.00 57.97 60.95 3hsf h PHE 5 Cb 0.28 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3hsf h PHE 5 CO 0.00 1.32 -0.61 0.28 -2.23 0.00 0.00 178.31 177.07 3hsf h VAL 6 N -0.33 1.42 -0.10 1.41 2.07 -1.93 -2.00 116.25 116.78 3hsf h VAL 6 Ca -0.14 -2.05 -0.11 0.00 0.82 0.00 0.00 66.70 65.22 3hsf h VAL 6 Cb 1.66 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3hsf h VAL 6 CO 0.16 0.59 -0.35 0.78 0.02 0.00 0.00 177.57 178.77 3hsf h ASN 7 N 0.07 0.48 0.86 0.57 4.21 -1.56 -2.94 115.58 117.27 3hsf h ASN 7 Ca -0.01 -0.62 -0.05 0.00 1.21 0.00 0.00 56.30 56.83 3hsf h ASN 7 Cb 1.09 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.14 3hsf h ASN 7 CO 0.09 1.02 -0.26 0.07 -1.29 0.00 0.00 177.43 177.05 3hsf h LYS 8 N -0.02 0.00 0.00 0.81 2.10 -1.41 -2.83 116.57 115.22 3hsf h LYS 8 Ca -0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 3hsf h LYS 8 Cb 0.98 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3hsf h LYS 8 CO 0.07 0.26 -0.16 1.25 -2.00 0.00 0.00 179.45 178.87 3hsf h LEU 9 N 0.00 0.00 -1.45 7.07 5.85 -1.33 -3.09 115.31 122.36 3hsf h LEU 9 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hsf h LEU 9 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3hsf h LEU 9 CO 0.03 0.16 0.00 -0.50 -0.34 0.00 0.00 178.44 177.79 3hsf h TRP 10 N 0.00 0.00 0.00 1.25 -0.00 -1.32 -2.27 115.95 113.61 3hsf h TRP 10 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.89 58.54 3hsf h TRP 10 Cb 0.96 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 30.05 3hsf h TRP 10 CO 0.00 0.00 -2.31 0.45 -0.00 0.00 0.00 178.44 176.58 3hsf n SER 11 N -2.46 0.34 -0.02 -3.49 2.88 -1.17 -3.95 113.62 105.74 3hsf n SER 11 Ca -0.00 -0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.45 3hsf n SER 11 Cb 0.13 0.94 0.08 0.00 -0.75 0.00 0.00 64.21 64.60 3hsf n SER 11 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3hsf h MET 12 N 0.00 0.62 -0.32 -1.46 2.86 -1.48 -2.75 114.93 112.41 3hsf h MET 12 Ca -0.52 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 56.79 3hsf h MET 12 Cb 2.17 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.84 3hsf h MET 12 CO 0.03 0.93 0.00 0.28 1.06 0.00 0.00 176.91 179.21 3hsf n VAL 13 N -4.02 0.42 0.32 -2.22 0.31 -0.90 -4.10 118.33 108.14 3hsf n VAL 13 Ca -0.02 -0.46 0.21 0.00 -0.01 0.00 0.00 64.34 64.07 3hsf n VAL 13 Cb 0.53 0.28 1.13 0.00 -0.91 0.00 0.00 33.84 34.88 3hsf n VAL 13 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3hsf h ASN 14 N 2.18 0.00 -1.21 4.52 -0.73 -1.61 -3.44 115.58 115.30 3hsf h ASN 14 Ca 0.00 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.92 3hsf h ASN 14 Cb 0.49 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.03 3hsf h ASN 14 CO 0.00 0.00 -0.28 0.47 -0.37 0.00 0.00 177.43 177.25 3hsf n ASP 15 N -3.00 -4.22 -0.10 1.15 8.00 -1.26 -4.91 116.55 112.21 3hsf n ASP 15 Ca -0.03 0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.45 3hsf n ASP 15 Cb 0.08 -3.13 -0.08 0.00 -0.02 0.00 0.00 41.12 37.97 3hsf n ASP 15 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3hsf n LYS 16 N -2.41 0.53 -0.01 -1.24 3.00 -1.26 -3.52 118.16 113.25 3hsf n LYS 16 Ca -0.14 0.51 -0.20 0.00 -0.00 0.00 0.00 58.31 58.49 3hsf n LYS 16 Cb 0.52 -1.69 -0.14 0.00 0.00 0.00 0.00 35.03 33.72 3hsf n LYS 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3hsf n SER 17 N -4.47 1.97 -2.72 3.14 7.64 -1.26 -4.16 113.62 113.75 3hsf n SER 17 Ca -0.26 0.19 -0.37 0.00 1.01 0.00 0.00 58.87 59.43 3hsf n SER 17 Cb 0.57 -0.71 0.05 0.00 -1.01 0.00 0.00 64.21 63.10 3hsf n SER 17 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hsf n ASN 18 N -3.41 7.32 0.29 6.43 3.02 -1.26 -4.67 115.26 122.98 3hsf n ASN 18 Ca -0.32 -3.82 0.19 0.00 -0.03 0.00 0.00 54.58 50.60 3hsf n ASN 18 Cb 1.04 -0.99 0.88 0.00 -0.61 0.00 0.00 39.78 40.11 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 2.71 0.00 -0.25 3.52 4.22 -1.72 -2.37 114.58 120.69 3hsf h GLU 19 Ca 0.56 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.00 3hsf h GLU 19 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hsf h GLU 19 CO 1.42 0.00 0.00 1.17 -2.18 0.00 0.00 179.01 179.42 3hsf n LYS 20 N -3.01 2.84 0.00 1.92 3.00 -1.26 -4.53 118.16 117.11 3hsf n LYS 20 Ca -0.01 -2.73 0.00 0.00 -0.00 0.00 0.00 58.31 55.57 3hsf n LYS 20 Cb 0.20 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.48 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3hsf n PHE 21 N -0.44 0.00 -3.64 5.64 3.72 -0.92 -4.96 117.46 116.85 3hsf n PHE 21 Ca 0.20 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.51 3hsf n PHE 21 Cb 0.82 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.29 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 -0.26 0.00 0.24 4.37 2.07 -1.02 -4.71 121.20 121.89 3hsf s ILE 22 Ca 0.00 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 3hsf s ILE 22 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 3hsf s ILE 22 CO 0.00 0.00 0.49 -1.38 -1.91 0.00 0.00 174.94 172.14 3hsf s HIS 23 N 0.35 0.30 0.48 3.50 -3.43 -1.24 -4.51 115.29 110.75 3hsf s HIS 23 Ca 0.02 -0.67 -0.04 0.00 -0.80 0.00 0.00 55.06 53.57 3hsf s HIS 23 Cb -0.05 0.22 -0.03 0.00 -1.43 0.00 0.00 32.58 31.30 3hsf s HIS 23 CO -0.07 -0.99 0.76 -1.58 -2.00 0.00 0.00 174.74 170.86 3hsf s TRP 24 N -4.00 3.48 -0.00 0.38 0.52 -1.26 -2.23 118.94 115.83 3hsf s TRP 24 Ca 0.21 0.68 -0.19 0.00 0.02 0.00 0.00 56.10 56.82 3hsf s TRP 24 Cb -0.01 -2.32 -0.06 0.00 -1.15 0.00 0.00 33.47 29.94 3hsf s TRP 24 CO 0.08 -0.32 0.53 0.45 0.02 0.00 0.00 176.95 177.71 3hsf s SER 25 N -4.14 6.92 -0.01 2.95 0.15 -0.50 -4.88 113.70 114.18 3hsf s SER 25 Ca 0.47 1.09 -0.30 0.00 0.70 0.00 0.00 55.95 57.91 3hsf s SER 25 Cb -0.10 -2.33 -0.06 0.00 -1.71 0.00 0.00 66.02 61.82 3hsf s SER 25 CO 0.43 0.17 1.55 -0.89 1.20 0.00 0.00 173.24 175.71 3hsf s THR 26 N -0.46 3.53 -0.27 6.45 2.01 -1.26 -3.67 115.64 121.96 3hsf s THR 26 Ca 0.28 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.10 3hsf s THR 26 Cb -0.18 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.80 3hsf s THR 26 CO 0.16 -0.03 0.00 -1.20 -0.69 0.00 0.00 174.62 172.86 3hsf n SER 27 N 6.15 -7.80 0.00 3.53 7.64 -1.26 -4.82 113.62 117.06 3hsf n SER 27 Ca 0.15 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.36 3hsf n SER 27 Cb 0.43 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.70 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 0.79 0.81 2.72 0.23 0.00 -1.26 -5.04 105.19 103.45 3hsf n GLY 28 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3hsf n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hsf n GLU 29 N 0.00 -3.59 -3.67 1.61 2.13 -1.24 -4.92 120.64 110.96 3hsf n GLU 29 Ca 0.00 2.84 -0.06 0.00 0.66 0.00 0.00 57.16 60.61 3hsf n GLU 29 Cb 0.00 -5.19 -0.02 0.00 0.27 0.00 0.00 31.44 26.51 3hsf n GLU 29 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3hsf s SER 30 N -1.46 -0.27 -0.02 4.31 0.15 -1.26 -4.53 113.70 110.63 3hsf s SER 30 Ca -0.05 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 3hsf s SER 30 Cb 0.00 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 3hsf s SER 30 CO 0.76 -0.86 0.10 -0.63 1.20 0.00 0.00 173.24 173.81 3hsf s ILE 31 N -3.32 4.90 -0.04 6.45 1.01 -0.95 -1.41 121.20 127.84 3hsf s ILE 31 Ca 0.09 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3hsf s ILE 31 Cb -0.02 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.23 3hsf s ILE 31 CO -0.02 0.38 -0.07 -0.69 0.00 0.00 0.00 174.94 174.54 3hsf s VAL 32 N -1.19 0.73 -0.49 2.92 1.01 -0.95 -2.49 120.40 119.94 3hsf s VAL 32 Ca 0.23 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3hsf s VAL 32 Cb -0.12 -0.69 0.13 0.00 0.00 0.00 0.00 36.38 35.69 3hsf s VAL 32 CO 0.14 0.25 0.23 -0.69 0.00 0.00 0.00 175.10 175.03 3hsf s VAL 33 N 0.62 2.73 0.05 2.92 1.01 -0.96 -3.61 120.40 123.17 3hsf s VAL 33 Ca -0.10 -2.96 -0.17 0.00 0.00 0.00 0.00 61.98 58.75 3hsf s VAL 33 Cb -0.13 -2.90 -0.16 0.00 0.00 0.00 0.00 36.38 33.19 3hsf s VAL 33 CO 0.01 -0.76 1.27 1.55 0.00 0.00 0.00 175.10 177.17 3hsf h PRO 34 N 6.94 0.55 -3.27 2.72 0.13 -1.84 -3.15 132.00 134.08 3hsf h PRO 34 Ca -0.06 -0.41 -0.75 0.00 -0.87 0.00 0.00 66.00 63.91 3hsf h PRO 34 Cb 0.94 0.07 -0.32 0.00 0.13 0.00 0.00 31.00 31.82 3hsf h PRO 34 CO 0.65 1.03 0.20 0.09 -0.23 0.00 0.00 178.00 179.74 3hsf n ASN 35 N -4.25 4.97 0.31 1.44 5.03 -1.26 -4.64 115.26 116.86 3hsf n ASN 35 Ca -0.07 -3.16 0.18 0.00 0.87 0.00 0.00 54.58 52.40 3hsf n ASN 35 Cb 0.57 -1.18 1.04 0.00 -1.02 0.00 0.00 39.78 39.20 3hsf n ASN 35 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 3hsf h ARG 36 N 6.02 0.00 0.05 3.52 2.43 -1.71 -2.09 114.38 122.60 3hsf h ARG 36 Ca 0.18 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3hsf h ARG 36 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3hsf h ARG 36 CO 0.98 0.00 -0.02 1.49 -1.51 0.00 0.00 179.97 180.91 3hsf h GLU 37 N 0.00 -0.06 -0.03 0.20 4.57 -1.91 -2.94 114.58 114.41 3hsf h GLU 37 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3hsf h GLU 37 Cb 0.01 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3hsf h GLU 37 CO 0.00 -0.04 0.14 0.00 -1.18 0.00 0.00 179.01 177.93 3hsf h ARG 38 N -0.24 0.00 0.03 1.92 -0.00 -1.97 -2.70 114.38 111.41 3hsf h ARG 38 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 3hsf h ARG 38 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.02 3hsf h ARG 38 CO 0.01 0.00 -0.01 0.35 0.00 0.00 0.00 179.97 180.32 3hsf h PHE 39 N 0.00 -0.03 -1.02 3.04 3.57 -1.47 -2.47 116.94 118.56 3hsf h PHE 39 Ca 0.01 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.77 3hsf h PHE 39 Cb 0.29 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.93 3hsf h PHE 39 CO 0.00 -0.02 0.63 0.28 -2.23 0.00 0.00 178.31 176.96 3hsf h VAL 40 N -0.13 0.53 0.32 1.41 2.07 -1.44 0.42 116.25 119.43 3hsf h VAL 40 Ca -0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3hsf h VAL 40 Cb 0.03 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3hsf h VAL 40 CO 0.01 0.09 -0.16 1.56 0.02 0.00 0.00 177.57 179.09 3hsf h GLN 41 N 0.51 -0.42 -0.79 1.57 4.20 -1.61 -2.58 115.11 115.99 3hsf h GLN 41 Ca 0.63 0.03 -0.12 0.00 0.06 0.00 0.00 58.65 59.25 3hsf h GLN 41 Cb 1.35 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 29.15 3hsf h GLN 41 CO -0.41 -0.24 0.15 0.39 -0.67 0.00 0.00 178.83 178.05 3hsf n GLU 42 N -5.07 3.30 0.00 1.46 1.02 -0.93 -4.39 120.64 116.03 3hsf n GLU 42 Ca -0.06 -2.30 0.00 0.00 -0.02 0.00 0.00 57.16 54.78 3hsf n GLU 42 Cb 0.19 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 0.11 0.00 -0.04 2.62 0.31 0.14 -4.81 118.33 116.65 3hsf n VAL 43 Ca 0.28 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.47 3hsf n VAL 43 Cb 1.08 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.93 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 0.32 0.00 7.52 5.85 -1.33 -3.11 115.31 124.56 3hsf h LEU 44 Ca 0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3hsf h LEU 44 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3hsf h LEU 44 CO 0.00 0.80 0.00 -0.81 -0.34 0.00 0.00 178.44 178.09 3hsf n PRO 45 N -4.57 0.47 0.13 5.25 -0.04 -1.26 -2.07 135.00 132.91 3hsf n PRO 45 Ca -0.07 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 3hsf n PRO 45 Cb 0.39 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.37 3hsf n PRO 45 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3hsf h LYS 46 N 0.00 0.00 0.00 0.54 3.64 -1.86 -3.38 116.57 115.52 3hsf h LYS 46 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3hsf h LYS 46 Cb 0.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3hsf h LYS 46 CO 0.00 0.37 -1.61 0.66 -2.27 0.00 0.00 179.45 176.60 3hsf n TYR 47 N -3.11 0.00 -3.47 1.91 4.02 -1.20 -5.05 117.16 110.27 3hsf n TYR 47 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3hsf n TYR 47 Cb 0.72 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 3hsf n TYR 47 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3hsf n PHE 48 N -2.53 -1.48 0.00 -0.72 3.01 -0.88 -5.12 117.46 109.74 3hsf n PHE 48 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3hsf n PHE 48 Cb 0.75 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 3hsf n PHE 48 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hsf n LYS 49 N -0.49 0.00 -1.58 -1.08 5.02 -1.26 -4.57 118.16 114.20 3hsf n LYS 49 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 3hsf n LYS 49 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hsf n HIS 50 N -1.09 2.23 -5.03 2.13 8.25 -1.26 -4.88 115.22 115.57 3hsf n HIS 50 Ca 0.00 -2.17 -0.32 0.00 -0.26 0.00 0.00 57.72 54.96 3hsf n HIS 50 Cb 0.00 -1.28 -0.17 0.00 1.12 0.00 0.00 29.99 29.66 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 -0.36 3.20 0.53 0.41 0.01 -1.26 -5.08 113.70 111.15 3hsf s SER 51 Ca 0.55 -0.55 0.09 0.00 1.31 0.00 0.00 55.95 57.35 3hsf s SER 51 Cb 0.40 -1.44 0.06 0.00 0.21 0.00 0.00 66.02 65.25 3hsf s SER 51 CO -0.26 0.14 0.69 0.21 0.41 0.00 0.00 173.24 174.43 3hsf s ASN 52 N 0.46 5.17 0.46 2.44 2.47 -1.26 -4.80 114.94 119.88 3hsf s ASN 52 Ca -0.15 -0.79 0.13 0.00 0.42 0.00 0.00 52.86 52.47 3hsf s ASN 52 Cb -0.17 0.06 1.07 0.00 -1.45 0.00 0.00 41.25 40.76 3hsf s ASN 52 CO 0.06 -1.16 2.04 2.19 -3.72 0.00 0.00 177.10 176.51 3hsf h PHE 53 N 0.38 0.32 -0.23 0.43 -5.15 -2.00 -0.33 116.94 110.36 3hsf h PHE 53 Ca -0.33 0.01 -0.13 0.00 -0.20 0.00 0.00 57.97 57.32 3hsf h PHE 53 Cb 1.29 -0.11 -0.01 0.00 0.22 0.00 0.00 35.95 37.34 3hsf h PHE 53 CO 0.48 0.18 -0.39 0.00 -2.00 0.00 0.00 178.31 176.58 3hsf h ALA 54 N 1.78 0.90 -0.19 12.09 0.00 -1.99 -2.49 119.26 129.36 3hsf h ALA 54 Ca 0.18 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hsf h ALA 54 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hsf h ALA 54 CO -0.04 0.63 0.06 1.03 0.00 0.00 0.00 179.25 180.93 3hsf h SER 55 N 0.44 0.28 -0.82 0.00 0.87 -1.43 -1.80 113.55 111.09 3hsf h SER 55 Ca 0.04 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3hsf h SER 55 Cb 0.87 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 3hsf h SER 55 CO 0.07 0.40 0.46 0.15 -0.53 0.00 0.00 176.83 177.39 3hsf h PHE 56 N 0.14 1.11 0.00 2.24 3.04 -1.40 -1.18 116.94 120.89 3hsf h PHE 56 Ca 0.06 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 3hsf h PHE 56 Cb 0.23 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 3hsf h PHE 56 CO 0.00 0.76 -0.24 0.28 -2.02 0.00 0.00 178.31 177.10 3hsf h VAL 57 N 1.15 0.98 -0.16 1.41 2.07 -1.19 -2.53 116.25 117.98 3hsf h VAL 57 Ca 0.29 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 3hsf h VAL 57 Cb 0.01 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3hsf h VAL 57 CO -0.05 0.23 -0.15 0.03 0.02 0.00 0.00 177.57 177.65 3hsf h ARG 58 N 0.00 0.38 -0.46 1.57 2.47 -0.34 -2.00 114.38 116.00 3hsf h ARG 58 Ca -0.00 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.50 3hsf h ARG 58 Cb 0.47 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 3hsf h ARG 58 CO 0.03 0.75 0.21 1.96 0.56 0.00 0.00 179.97 183.48 3hsf h GLN 59 N 0.03 0.66 -0.34 0.04 7.50 -1.25 -1.46 115.11 120.28 3hsf h GLN 59 Ca 0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 3hsf h GLN 59 Cb 0.67 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 3hsf h GLN 59 CO 0.04 0.58 0.06 -0.07 -1.50 0.00 0.00 178.83 177.94 3hsf h LEU 60 N 0.60 0.47 -0.76 1.46 3.38 -1.46 -1.48 115.31 117.50 3hsf h LEU 60 Ca 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3hsf h LEU 60 Cb 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hsf h LEU 60 CO -0.02 0.49 -0.14 0.78 0.09 0.00 0.00 178.44 179.64 3hsf h ASN 61 N 0.50 0.00 0.04 -0.43 4.21 -0.85 -1.87 115.58 117.18 3hsf h ASN 61 Ca 0.12 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.40 3hsf h ASN 61 Cb 0.23 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.45 3hsf h ASN 61 CO -0.00 0.14 -0.92 0.24 -1.29 0.00 0.00 177.43 175.60 3hsf h MET 62 N 0.00 0.56 0.00 0.81 2.86 -0.22 -3.37 114.93 115.57 3hsf h MET 62 Ca -0.00 -0.65 -0.08 0.00 -2.06 0.00 0.00 59.70 56.91 3hsf h MET 62 Cb 0.83 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 3hsf h MET 62 CO 0.02 1.26 -0.42 1.88 1.06 0.00 0.00 176.91 180.71 3hsf h TYR 63 N 0.14 0.00 0.00 -0.22 0.05 -1.53 -3.51 116.97 111.90 3hsf h TYR 63 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.65 3hsf h TYR 63 Cb 1.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.35 3hsf h TYR 63 CO 0.13 1.15 0.00 0.41 -1.05 0.00 0.00 178.16 178.80 3hsf n GLY 64 N 1.55 -0.39 2.77 3.88 0.00 -0.70 -5.13 105.19 107.17 3hsf n GLY 64 Ca -0.17 0.63 -0.04 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.00 -1.35 1.61 7.02 -1.25 -3.96 117.44 116.52 3hsf n TRP 65 Ca 0.00 1.72 0.07 0.00 -1.02 0.00 0.00 57.50 58.27 3hsf n TRP 65 Cb 0.00 -2.96 0.18 0.00 -2.42 0.00 0.00 31.31 26.11 3hsf n TRP 65 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3hsf n HIS 66 N 1.93 0.14 -1.30 -5.99 8.25 -1.05 -4.67 115.22 112.52 3hsf n HIS 66 Ca -0.27 -1.28 0.15 0.00 -0.26 0.00 0.00 57.72 56.06 3hsf n HIS 66 Cb 0.43 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 3hsf n HIS 66 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hsf n LYS 67 N -1.21 -2.66 -3.63 -0.41 5.02 -1.26 -4.85 118.16 109.16 3hsf n LYS 67 Ca 0.19 2.01 -0.29 0.00 -2.02 0.00 0.00 58.31 58.20 3hsf n LYS 67 Cb 0.71 -3.25 -0.04 0.00 -0.02 0.00 0.00 35.03 32.43 3hsf n LYS 67 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hsf s VAL 68 N -3.39 5.16 -0.10 -0.18 0.11 -1.26 -4.45 120.40 116.29 3hsf s VAL 68 Ca 0.00 -0.14 0.15 0.00 -2.93 0.00 0.00 61.98 59.07 3hsf s VAL 68 Cb 0.00 -3.69 -0.13 0.00 -1.53 0.00 0.00 36.38 31.04 3hsf s VAL 68 CO 0.00 -0.11 0.91 -0.61 -3.33 0.00 0.00 175.10 171.96 3hsf h GLN 69 N 2.28 0.00 -1.86 1.54 4.15 -2.03 -3.50 115.11 115.69 3hsf h GLN 69 Ca -0.47 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.17 3hsf h GLN 69 Cb 1.18 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 3hsf h GLN 69 CO 0.70 0.38 -0.38 -3.47 -1.93 0.00 0.00 178.83 174.13 3hsf n ASP 70 N -2.98 -4.90 0.08 -0.69 2.03 -1.26 -4.64 116.55 104.20 3hsf n ASP 70 Ca -0.09 0.42 -0.03 0.00 0.52 0.00 0.00 54.79 55.61 3hsf n ASP 70 Cb 0.86 -2.54 -0.02 0.00 -0.72 0.00 0.00 41.12 38.70 3hsf n ASP 70 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3hsf h VAL 71 N -0.77 0.00 0.00 5.18 2.07 -2.00 -3.49 116.25 117.24 3hsf h VAL 71 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3hsf h VAL 71 Cb 0.76 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3hsf h VAL 71 CO 0.01 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.89 3hsf n LYS 72 N -2.95 0.00 -0.01 1.57 4.76 -1.26 -5.01 118.16 115.26 3hsf n LYS 72 Ca -0.03 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.37 3hsf n LYS 72 Cb 0.09 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.24 3hsf n LYS 72 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3hsf h SER 73 N 0.00 -0.08 0.00 4.39 4.64 -1.97 -3.48 113.55 117.05 3hsf h SER 73 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3hsf h SER 73 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hsf h SER 73 CO 0.00 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 3hsf n GLY 74 N 1.44 2.99 4.57 -0.77 0.00 -1.26 -4.79 105.19 107.37 3hsf n GLY 74 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.04 0.00 -0.85 1.61 2.88 -1.26 -3.45 113.62 112.59 3hsf n SER 75 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3hsf n SER 75 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 0.00 0.00 -0.40 -1.46 0.00 -1.26 -4.93 117.12 109.07 3hsf n MET 76 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 57.70 57.02 3hsf n MET 76 Cb 0.00 0.40 0.21 0.00 0.00 0.00 0.00 33.22 33.83 3hsf n MET 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3hsf n LEU 77 N 0.00 3.12 -3.15 3.17 7.94 -1.22 -4.68 117.00 122.18 3hsf n LEU 77 Ca -0.20 -1.58 0.04 0.00 -1.11 0.00 0.00 56.01 53.16 3hsf n LEU 77 Cb 0.62 -0.49 -0.00 0.00 0.53 0.00 0.00 43.42 44.07 3hsf n LEU 77 CO -0.10 0.49 0.15 -0.55 -1.11 0.00 0.00 177.39 176.27 3hsf s SER 78 N -0.63 -1.48 0.00 1.96 0.15 -1.26 -5.01 113.70 107.43 3hsf s SER 78 Ca 0.29 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.32 3hsf s SER 78 Cb 0.20 2.02 0.00 0.00 -1.71 0.00 0.00 66.02 66.53 3hsf s SER 78 CO 0.12 -0.27 0.77 0.59 1.20 0.00 0.00 173.24 175.65 3hsf n ASN 79 N 5.41 0.00 0.01 5.45 4.13 -1.26 -4.96 115.26 124.04 3hsf n ASN 79 Ca 0.03 0.77 0.00 0.00 1.68 0.00 0.00 54.58 57.07 3hsf n ASN 79 Cb 0.53 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 3hsf n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hsf n ASN 80 N -1.34 -0.11 -1.29 6.41 5.03 -1.26 -4.99 115.26 117.70 3hsf n ASN 80 Ca 0.00 0.04 0.04 0.00 0.87 0.00 0.00 54.58 55.52 3hsf n ASN 80 Cb 0.00 0.36 0.03 0.00 -1.02 0.00 0.00 39.78 39.15 3hsf n ASN 80 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3hsf n ASP 81 N -2.55 0.95 -0.68 6.41 2.03 -1.26 -4.81 116.55 116.63 3hsf n ASP 81 Ca 0.00 -2.16 0.08 0.00 0.52 0.00 0.00 54.79 53.23 3hsf n ASP 81 Cb 0.00 -0.31 0.21 0.00 -0.72 0.00 0.00 41.12 40.31 3hsf n ASP 81 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3hsf n SER 82 N 0.29 3.40 -3.65 1.67 2.88 -1.26 -4.85 113.62 112.11 3hsf n SER 82 Ca 0.06 -2.81 -0.29 0.00 -1.33 0.00 0.00 58.87 54.50 3hsf n SER 82 Cb 1.05 -0.45 -0.14 0.00 -0.75 0.00 0.00 64.21 63.93 3hsf n SER 82 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3hsf s ARG 83 N -2.44 0.84 -0.19 -1.46 3.00 -1.26 -4.06 118.95 113.38 3hsf s ARG 83 Ca 0.35 -1.42 -0.15 0.00 -1.00 0.00 0.00 55.73 53.51 3hsf s ARG 83 Cb 0.28 -1.90 -0.04 0.00 0.00 0.00 0.00 34.95 33.28 3hsf s ARG 83 CO 0.09 -1.10 0.37 -1.58 0.00 0.00 0.00 175.30 173.08 3hsf s TRP 84 N 1.08 3.40 0.23 5.12 0.52 -1.19 -4.97 118.94 123.13 3hsf s TRP 84 Ca 0.14 0.62 0.07 0.00 0.02 0.00 0.00 56.10 56.95 3hsf s TRP 84 Cb -0.21 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.60 3hsf s TRP 84 CO -0.11 0.06 0.13 -1.21 0.02 0.00 0.00 176.95 175.84 3hsf s GLU 85 N 1.05 2.75 -0.30 4.98 0.41 -1.26 -2.28 118.70 124.05 3hsf s GLU 85 Ca 0.19 -1.08 0.01 0.00 -0.41 0.00 0.00 54.97 53.67 3hsf s GLU 85 Cb -0.14 -2.49 0.15 0.00 -1.78 0.00 0.00 34.13 29.87 3hsf s GLU 85 CO 0.07 0.42 0.34 -0.06 -0.49 0.00 0.00 175.26 175.54 3hsf s PHE 86 N -2.04 -0.62 0.06 1.61 0.40 -1.04 -4.30 117.98 112.05 3hsf s PHE 86 Ca 0.32 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 3hsf s PHE 86 Cb -0.08 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 3hsf s PHE 86 CO 0.23 -0.95 -0.10 -1.83 0.70 0.00 0.00 175.22 173.27 3hsf s GLU 87 N 2.28 2.27 -0.94 0.44 -1.05 -1.26 -2.23 118.70 118.21 3hsf s GLU 87 Ca 0.11 -0.91 -0.06 0.00 -0.15 0.00 0.00 54.97 53.96 3hsf s GLU 87 Cb -0.13 -2.35 0.23 0.00 -0.44 0.00 0.00 34.13 31.44 3hsf s GLU 87 CO -0.28 0.55 0.86 1.21 0.95 0.00 0.00 175.26 178.55 3hsf s ASN 88 N -1.80 6.46 -0.11 0.83 2.47 -1.26 -2.53 114.94 119.00 3hsf s ASN 88 Ca 0.19 -3.50 -0.08 0.00 0.42 0.00 0.00 52.86 49.89 3hsf s ASN 88 Cb -0.11 -2.04 0.03 0.00 -1.45 0.00 0.00 41.25 37.68 3hsf s ASN 88 CO 0.10 -0.28 0.16 1.21 -3.72 0.00 0.00 177.10 174.58 3hsf n GLU 89 N 2.73 -4.86 0.22 0.43 2.13 -1.26 -4.93 120.64 115.10 3hsf n GLU 89 Ca 0.20 3.60 -0.09 0.00 0.66 0.00 0.00 57.16 61.53 3hsf n GLU 89 Cb 0.39 -4.95 -0.04 0.00 0.27 0.00 0.00 31.44 27.11 3hsf n GLU 89 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3hsf h ARG 90 N 4.22 -0.56 -4.02 5.31 2.43 -1.96 -3.46 114.38 116.34 3hsf h ARG 90 Ca -0.36 0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.68 3hsf h ARG 90 Cb 0.82 0.13 -0.20 0.00 -0.42 0.00 0.00 29.97 30.30 3hsf h ARG 90 CO 0.01 -0.37 -0.70 -1.58 -1.51 0.00 0.00 179.97 175.82 3hsf s HIS 91 N -3.89 0.30 0.00 2.20 2.46 -1.26 -5.18 115.29 109.91 3hsf s HIS 91 Ca -0.08 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 54.84 3hsf s HIS 91 Cb 0.01 -0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.24 3hsf s HIS 91 CO 0.25 -0.22 0.00 0.00 -2.47 0.00 0.00 174.74 172.31