#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsf n ARG 2 N 0.00 -1.98 -3.06 0.00 1.74 -1.26 -4.95 116.66 107.15 3hsf n ARG 2 Ca 0.00 1.87 -0.41 0.00 -0.77 0.00 0.00 57.85 58.54 3hsf n ARG 2 Cb 0.00 -5.29 -0.06 0.00 -1.02 0.00 0.00 32.46 26.09 3hsf n ARG 2 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hsf s PRO 3 N -2.55 4.12 0.37 5.56 0.04 -1.26 -4.94 135.00 136.35 3hsf s PRO 3 Ca 0.18 0.63 0.20 0.00 0.04 0.00 0.00 61.00 62.06 3hsf s PRO 3 Cb -0.05 -3.65 0.56 0.00 0.04 0.00 0.00 34.50 31.40 3hsf s PRO 3 CO 0.69 -0.44 1.67 0.00 0.04 0.00 0.00 177.00 178.97 3hsf h ALA 4 N 7.85 0.90 0.15 8.56 0.00 -1.99 -2.69 119.26 132.04 3hsf h ALA 4 Ca -0.26 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.05 3hsf h ALA 4 Cb 1.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.86 3hsf h ALA 4 CO 0.80 0.43 -1.31 0.35 0.00 0.00 0.00 179.25 179.52 3hsf h PHE 5 N 0.00 0.58 -0.08 0.00 3.57 -1.99 -2.46 116.94 116.56 3hsf h PHE 5 Ca -0.00 -0.42 -0.17 0.00 3.53 0.00 0.00 57.97 60.91 3hsf h PHE 5 Cb 1.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 3hsf h PHE 5 CO 0.00 1.34 -0.66 0.28 -2.23 0.00 0.00 178.31 177.04 3hsf h VAL 6 N 0.09 1.38 -0.05 1.41 2.07 -1.98 -1.89 116.25 117.28 3hsf h VAL 6 Ca -0.16 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.27 3hsf h VAL 6 Cb 2.01 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 33.82 3hsf h VAL 6 CO 0.21 0.62 -0.06 0.78 0.02 0.00 0.00 177.57 179.14 3hsf h ASN 7 N 0.24 0.14 0.44 0.57 2.35 -1.54 -2.98 115.58 114.80 3hsf h ASN 7 Ca -0.02 -0.52 -0.02 0.00 -0.55 0.00 0.00 56.30 55.20 3hsf h ASN 7 Cb 1.21 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 3hsf h ASN 7 CO 0.11 0.63 -0.11 0.07 -1.65 0.00 0.00 177.43 176.48 3hsf h LYS 8 N -0.34 0.00 -0.14 0.81 2.10 -1.46 -2.25 116.57 115.29 3hsf h LYS 8 Ca 0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.59 3hsf h LYS 8 Cb 0.60 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 3hsf h LYS 8 CO 0.01 0.11 -0.23 1.25 -2.00 0.00 0.00 179.45 178.60 3hsf h LEU 9 N 0.00 0.24 -0.82 7.07 5.85 -1.19 -2.30 115.31 124.16 3hsf h LEU 9 Ca -0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3hsf h LEU 9 Cb 0.36 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3hsf h LEU 9 CO 0.01 0.48 -0.08 -0.50 -0.34 0.00 0.00 178.44 178.01 3hsf h TRP 10 N 0.23 0.00 0.00 1.25 -0.00 -1.36 -2.18 115.95 113.89 3hsf h TRP 10 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 58.89 58.72 3hsf h TRP 10 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.66 3hsf h TRP 10 CO 0.01 0.08 -0.98 1.03 -0.00 0.00 0.00 178.44 178.58 3hsf h SER 11 N 0.00 0.00 0.39 -3.49 0.87 -1.46 -2.19 113.55 107.67 3hsf h SER 11 Ca -0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 3hsf h SER 11 Cb 0.78 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.70 3hsf h SER 11 CO 0.01 0.98 -1.78 0.00 -0.53 0.00 0.00 176.83 175.52 3hsf h MET 12 N 0.00 0.08 -0.01 2.24 -0.00 -1.47 -3.35 114.93 112.42 3hsf h MET 12 Ca -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 3hsf h MET 12 Cb 1.75 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 33.40 3hsf h MET 12 CO 0.13 0.72 -0.12 0.28 -0.00 0.00 0.00 176.91 177.92 3hsf n VAL 13 N -3.18 0.00 0.32 -0.10 0.31 -0.83 -4.01 118.33 110.84 3hsf n VAL 13 Ca -0.21 -0.21 0.20 0.00 -0.01 0.00 0.00 64.34 64.11 3hsf n VAL 13 Cb 1.05 0.51 1.10 0.00 -0.91 0.00 0.00 33.84 35.59 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 1.95 0.00 -4.06 4.52 7.08 -1.52 -3.45 115.58 120.09 3hsf h ASN 14 Ca 0.00 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 52.98 3hsf h ASN 14 Cb 0.53 0.00 0.09 0.00 -2.08 0.00 0.00 38.32 36.86 3hsf h ASN 14 CO 0.00 0.00 -0.43 0.47 -2.08 0.00 0.00 177.43 175.39 3hsf n ASP 15 N -3.35 -4.34 -0.09 6.14 8.00 -1.26 -4.95 116.55 116.70 3hsf n ASP 15 Ca -0.03 -0.34 -0.23 0.00 0.71 0.00 0.00 54.79 54.90 3hsf n ASP 15 Cb 0.08 -3.34 -0.12 0.00 -0.02 0.00 0.00 41.12 37.73 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 -3.26 0.61 -0.01 -1.24 3.00 -1.26 -4.14 118.16 111.86 3hsf n LYS 16 Ca -0.02 0.46 0.02 0.00 -0.00 0.00 0.00 58.31 58.77 3hsf n LYS 16 Cb 0.55 -1.70 -0.06 0.00 0.00 0.00 0.00 35.03 33.82 3hsf n LYS 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3hsf n SER 17 N -4.17 3.32 -1.71 3.14 2.88 -1.26 -4.57 113.62 111.25 3hsf n SER 17 Ca -0.36 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.07 3hsf n SER 17 Cb 0.80 1.21 0.22 0.00 -0.75 0.00 0.00 64.21 65.69 3hsf n SER 17 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3hsf n ASN 18 N -1.85 3.55 -4.57 -3.46 0.23 -1.26 -4.90 115.26 103.00 3hsf n ASN 18 Ca -0.03 -3.54 -0.27 0.00 -0.53 0.00 0.00 54.58 50.20 3hsf n ASN 18 Cb 0.29 -0.73 -0.05 0.00 -2.08 0.00 0.00 39.78 37.21 3hsf n ASN 18 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3hsf s GLU 19 N -3.18 2.54 0.00 -3.83 2.56 -1.26 -2.61 118.70 112.91 3hsf s GLU 19 Ca 0.51 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.86 3hsf s GLU 19 Cb 0.44 -5.13 0.00 0.00 2.00 0.00 0.00 34.13 31.43 3hsf s GLU 19 CO 0.07 -3.60 0.00 1.17 -0.56 0.00 0.00 175.26 172.34 3hsf n LYS 20 N 8.64 0.00 -0.17 4.30 4.81 -1.26 -4.95 118.16 129.53 3hsf n LYS 20 Ca 0.42 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.93 3hsf n LYS 20 Cb 0.47 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.68 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 0.45 -3.64 5.64 3.72 -1.07 -4.79 117.46 117.76 3hsf n PHE 21 Ca 0.00 -0.37 -0.04 0.00 -0.05 0.00 0.00 57.45 56.99 3hsf n PHE 21 Cb 0.00 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.06 0.00 0.21 4.37 2.07 -1.25 -4.18 121.20 121.36 3hsf s ILE 22 Ca 0.27 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.28 3hsf s ILE 22 Cb 0.15 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.78 3hsf s ILE 22 CO 0.20 0.00 0.74 -1.38 -1.91 0.00 0.00 174.94 172.59 3hsf s HIS 23 N 0.39 -0.28 0.47 3.50 -3.43 -1.24 -4.68 115.29 110.03 3hsf s HIS 23 Ca 0.02 -0.07 -0.20 0.00 -0.80 0.00 0.00 55.06 54.01 3hsf s HIS 23 Cb -0.04 0.65 -0.09 0.00 -1.43 0.00 0.00 32.58 31.66 3hsf s HIS 23 CO -0.12 -1.02 1.02 -1.58 -2.00 0.00 0.00 174.74 171.04 3hsf s TRP 24 N -3.71 3.06 1.29 0.38 0.52 -1.26 -2.37 118.94 116.85 3hsf s TRP 24 Ca 0.08 1.59 -0.20 0.00 0.02 0.00 0.00 56.10 57.59 3hsf s TRP 24 Cb -0.04 -3.03 0.32 0.00 -1.15 0.00 0.00 33.47 29.58 3hsf s TRP 24 CO -0.00 -0.69 1.02 0.45 0.02 0.00 0.00 176.95 177.75 3hsf s SER 25 N -2.01 0.05 -0.00 2.95 0.15 -0.92 -4.84 113.70 109.09 3hsf s SER 25 Ca 0.66 0.85 -0.04 0.00 0.70 0.00 0.00 55.95 58.13 3hsf s SER 25 Cb -0.15 -1.23 -0.28 0.00 -1.71 0.00 0.00 66.02 62.65 3hsf s SER 25 CO 0.19 -4.68 0.84 0.74 1.20 0.00 0.00 173.24 171.53 3hsf h THR 26 N -2.96 1.13 -3.58 6.45 2.02 -1.96 -3.43 112.91 110.59 3hsf h THR 26 Ca -0.47 -2.77 -0.64 0.00 0.77 0.00 0.00 66.41 63.30 3hsf h THR 26 Cb 1.32 2.76 -0.40 0.00 -1.74 0.00 0.00 68.15 70.09 3hsf h THR 26 CO 0.34 0.82 -0.74 -0.44 0.37 0.00 0.00 175.52 175.87 3hsf s SER 27 N -7.00 4.53 0.00 4.18 0.01 -1.26 -5.04 113.70 109.12 3hsf s SER 27 Ca -0.10 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.23 3hsf s SER 27 Cb 0.07 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.87 3hsf s SER 27 CO 0.85 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.75 3hsf n GLY 28 N 4.42 0.23 2.29 3.44 0.00 -1.26 -4.81 105.19 109.49 3hsf n GLY 28 Ca 0.01 -2.27 -0.14 0.00 0.00 0.00 0.00 46.02 43.61 3hsf n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hsf n GLU 29 N 0.00 2.84 -2.11 1.61 0.00 -1.26 -4.57 120.64 117.15 3hsf n GLU 29 Ca 0.00 -3.89 -0.29 0.00 0.00 0.00 0.00 57.16 52.99 3hsf n GLU 29 Cb 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 31.44 29.48 3hsf n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hsf s SER 30 N -3.65 5.64 -0.34 -1.84 0.15 -1.26 -4.87 113.70 107.52 3hsf s SER 30 Ca 0.42 1.00 -0.08 0.00 0.70 0.00 0.00 55.95 57.99 3hsf s SER 30 Cb 0.38 -1.93 0.03 0.00 -1.71 0.00 0.00 66.02 62.79 3hsf s SER 30 CO 0.01 -1.14 0.13 -0.63 1.20 0.00 0.00 173.24 172.81 3hsf s ILE 31 N -3.17 4.02 0.21 6.45 1.01 -0.97 -2.16 121.20 126.59 3hsf s ILE 31 Ca 0.56 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 3hsf s ILE 31 Cb -0.11 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 3hsf s ILE 31 CO 0.49 -0.17 0.81 -0.69 0.00 0.00 0.00 174.94 175.39 3hsf s VAL 32 N 1.45 4.34 -0.66 2.92 1.01 -1.00 -1.27 120.40 127.19 3hsf s VAL 32 Ca -0.00 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.71 3hsf s VAL 32 Cb -0.19 -4.10 0.16 0.00 0.00 0.00 0.00 36.38 32.25 3hsf s VAL 32 CO 0.04 0.41 0.44 -0.69 0.00 0.00 0.00 175.10 175.30 3hsf s VAL 33 N -1.29 3.10 0.27 2.92 1.01 -0.87 -3.62 120.40 121.92 3hsf s VAL 33 Ca 0.40 -3.73 0.31 0.00 0.00 0.00 0.00 61.98 58.96 3hsf s VAL 33 Cb -0.22 -3.05 0.33 0.00 0.00 0.00 0.00 36.38 33.45 3hsf s VAL 33 CO 0.26 -0.93 2.02 1.55 0.00 0.00 0.00 175.10 178.00 3hsf h PRO 34 N 6.07 0.00 -2.27 2.72 0.13 -1.86 -3.36 132.00 133.43 3hsf h PRO 34 Ca 0.05 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.80 3hsf h PRO 34 Cb 0.83 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.62 3hsf h PRO 34 CO 0.73 0.09 -0.67 -0.80 -0.23 0.00 0.00 178.00 177.11 3hsf s ASN 35 N -5.88 2.04 -0.03 1.44 0.01 -1.26 -4.91 114.94 106.35 3hsf s ASN 35 Ca -0.01 -0.95 0.07 0.00 -0.71 0.00 0.00 52.86 51.26 3hsf s ASN 35 Cb 0.11 0.33 -0.24 0.00 0.41 0.00 0.00 41.25 41.86 3hsf s ASN 35 CO 0.56 -0.39 0.73 -0.09 -1.51 0.00 0.00 177.10 176.40 3hsf h ARG 36 N 8.19 0.07 0.00 -0.60 1.12 -1.80 -2.38 114.38 118.98 3hsf h ARG 36 Ca -0.13 -0.12 -0.04 0.00 -1.11 0.00 0.00 59.98 58.57 3hsf h ARG 36 Cb 1.06 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 3hsf h ARG 36 CO 0.35 0.74 -0.21 1.05 -3.11 0.00 0.00 179.97 178.79 3hsf h GLU 37 N 0.02 0.00 0.03 0.20 4.11 -1.94 -2.45 114.58 114.55 3hsf h GLU 37 Ca -0.26 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.78 3hsf h GLU 37 Cb 1.99 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.18 3hsf h GLU 37 CO 0.10 0.21 -2.36 0.54 0.07 0.00 0.00 179.01 177.56 3hsf n ARG 38 N -3.37 0.67 -0.16 1.06 5.12 -1.25 -3.58 116.66 115.15 3hsf n ARG 38 Ca 0.00 0.18 -0.01 0.00 -1.93 0.00 0.00 57.85 56.09 3hsf n ARG 38 Cb 0.42 -1.56 0.23 0.00 -1.16 0.00 0.00 32.46 30.38 3hsf n ARG 38 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3hsf h PHE 39 N -0.02 0.88 0.14 -1.55 3.04 -1.47 -0.81 116.94 117.16 3hsf h PHE 39 Ca -0.55 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.37 3hsf h PHE 39 Cb 1.92 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 40.15 3hsf h PHE 39 CO 0.04 0.64 -0.07 0.28 -2.02 0.00 0.00 178.31 177.18 3hsf h VAL 40 N 0.89 0.46 0.00 1.41 2.07 -1.63 0.18 116.25 119.62 3hsf h VAL 40 Ca 0.22 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3hsf h VAL 40 Cb 0.08 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3hsf h VAL 40 CO -0.03 0.14 0.00 1.67 0.02 0.00 0.00 177.57 179.37 3hsf n GLN 41 N -4.89 0.05 0.03 1.57 7.27 -1.21 -2.15 117.38 118.05 3hsf n GLN 41 Ca -0.05 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.48 3hsf n GLN 41 Cb 0.18 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.21 3hsf n GLN 41 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3hsf n GLU 42 N -1.72 0.00 0.00 3.69 1.02 -0.31 -4.80 120.64 118.51 3hsf n GLU 42 Ca 0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 3hsf n GLU 42 Cb 0.07 -0.37 0.68 0.00 -0.02 0.00 0.00 31.44 31.80 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 -3.11 0.00 -0.05 2.62 0.31 0.55 -3.74 118.33 114.91 3hsf n VAL 43 Ca 0.00 -0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 64.12 3hsf n VAL 43 Cb 0.22 -0.25 -0.13 0.00 -0.91 0.00 0.00 33.84 32.77 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 0.34 0.11 0.00 7.52 5.85 -0.82 -3.31 115.31 125.00 3hsf h LEU 44 Ca 0.00 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.83 3hsf h LEU 44 Cb 0.31 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3hsf h LEU 44 CO 0.00 1.22 0.00 -0.81 -0.34 0.00 0.00 178.44 178.51 3hsf n PRO 45 N -4.43 0.79 0.04 5.25 -0.04 -1.26 -2.14 135.00 133.21 3hsf n PRO 45 Ca -0.16 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 3hsf n PRO 45 Cb 0.61 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.04 0.00 0.54 3.64 -1.65 -3.38 116.57 115.77 3hsf h LYS 46 Ca 0.00 -0.08 -0.25 0.00 -1.27 0.00 0.00 60.65 59.05 3hsf h LYS 46 Cb 0.05 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3hsf h LYS 46 CO 0.00 0.88 -1.96 0.66 -2.27 0.00 0.00 179.45 176.76 3hsf n TYR 47 N -3.28 0.00 -3.72 1.91 4.02 -1.21 -5.02 117.16 109.86 3hsf n TYR 47 Ca -0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.64 3hsf n TYR 47 Cb 0.99 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 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 -0.98 0.00 -0.72 3.01 -0.91 -5.11 117.46 110.22 3hsf n PHE 48 Ca -0.23 -1.58 0.00 0.00 1.01 0.00 0.00 57.45 56.65 3hsf n PHE 48 Cb 0.95 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 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 -1.41 0.00 -3.36 -1.08 5.02 -1.26 -4.55 118.16 111.51 3hsf n LYS 49 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 3hsf n LYS 49 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.41 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 -1.77 3.94 -3.95 2.13 8.25 -1.26 -4.93 115.22 117.63 3hsf n HIS 50 Ca 0.00 -3.66 -0.07 0.00 -0.26 0.00 0.00 57.72 53.72 3hsf n HIS 50 Cb 0.00 -1.27 -0.02 0.00 1.12 0.00 0.00 29.99 29.82 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 1.98 -0.46 -3.75 0.41 7.64 -1.26 -5.18 113.62 112.99 3hsf n SER 51 Ca 0.24 -1.89 -0.13 0.00 1.01 0.00 0.00 58.87 58.10 3hsf n SER 51 Cb 0.37 0.93 -0.08 0.00 -1.01 0.00 0.00 64.21 64.42 3hsf n SER 51 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3hsf s ASN 52 N -1.98 -0.20 0.48 6.43 2.47 -1.26 -5.03 114.94 115.85 3hsf s ASN 52 Ca 0.15 0.08 0.27 0.00 0.42 0.00 0.00 52.86 53.79 3hsf s ASN 52 Cb 0.00 0.33 1.34 0.00 -1.45 0.00 0.00 41.25 41.46 3hsf s ASN 52 CO 0.11 -0.47 1.82 2.19 -3.72 0.00 0.00 177.10 177.02 3hsf h PHE 53 N 3.76 0.28 0.03 0.43 -5.15 -1.99 -0.03 116.94 114.25 3hsf h PHE 53 Ca -0.30 0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.48 3hsf h PHE 53 Cb 1.18 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 37.27 3hsf h PHE 53 CO 0.51 0.03 -0.01 0.00 -2.00 0.00 0.00 178.31 176.84 3hsf h ALA 54 N 1.54 -0.03 0.00 12.09 0.00 -2.01 -1.94 119.26 128.91 3hsf h ALA 54 Ca 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 3hsf h ALA 54 Cb 1.76 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3hsf h ALA 54 CO -0.12 -0.48 -0.11 0.77 0.00 0.00 0.00 179.25 179.30 3hsf h SER 55 N -0.11 0.00 -0.34 0.00 0.02 -1.43 -2.18 113.55 109.52 3hsf h SER 55 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3hsf h SER 55 Cb 0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3hsf h SER 55 CO 0.01 0.11 0.15 0.15 -1.14 0.00 0.00 176.83 176.11 3hsf h PHE 56 N 0.00 0.49 -0.43 3.45 3.04 -0.77 -2.21 116.94 120.51 3hsf h PHE 56 Ca -0.00 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 3hsf h PHE 56 Cb 0.21 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 3hsf h PHE 56 CO 0.00 0.44 0.17 0.28 -2.02 0.00 0.00 178.31 177.18 3hsf h VAL 57 N 0.40 1.17 -0.66 1.41 2.07 -0.84 -2.31 116.25 117.49 3hsf h VAL 57 Ca 0.11 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3hsf h VAL 57 Cb 0.14 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3hsf h VAL 57 CO -0.01 0.20 0.33 0.03 0.02 0.00 0.00 177.57 178.14 3hsf h ARG 58 N 0.61 0.95 -0.27 1.57 3.08 -1.10 -2.23 114.38 116.99 3hsf h ARG 58 Ca 0.15 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hsf h ARG 58 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3hsf h ARG 58 CO -0.01 0.75 0.16 1.96 -1.07 0.00 0.00 179.97 181.75 3hsf h GLN 59 N 0.92 0.37 -0.85 0.04 1.08 -0.93 -2.08 115.11 113.66 3hsf h GLN 59 Ca 0.23 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.46 3hsf h GLN 59 Cb 0.10 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 3hsf h GLN 59 CO -0.03 0.31 0.56 -0.07 -0.95 0.00 0.00 178.83 178.64 3hsf h LEU 60 N 0.33 0.84 -1.19 1.46 3.38 -1.25 -0.64 115.31 118.24 3hsf h LEU 60 Ca 0.10 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3hsf h LEU 60 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hsf h LEU 60 CO -0.02 0.54 -0.38 -1.13 0.09 0.00 0.00 178.44 177.55 3hsf h ASN 61 N 0.95 0.00 -0.23 -0.43 -0.73 -0.92 -2.55 115.58 111.68 3hsf h ASN 61 Ca 0.37 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.54 3hsf h ASN 61 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.80 3hsf h ASN 61 CO -0.13 0.38 0.00 0.80 -0.37 0.00 0.00 177.43 178.10 3hsf n MET 62 N -3.86 1.93 0.00 6.67 1.56 -0.26 -4.10 117.12 119.06 3hsf n MET 62 Ca -0.01 -1.00 0.00 0.00 -0.27 0.00 0.00 57.70 56.42 3hsf n MET 62 Cb 0.44 -1.45 0.00 0.00 2.15 0.00 0.00 33.22 34.36 3hsf n MET 62 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3hsf n TYR 63 N 0.24 0.00 0.00 1.12 4.01 -0.98 -5.05 117.16 116.49 3hsf n TYR 63 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3hsf n TYR 63 Cb 0.38 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 2.95 0.45 3.74 2.72 0.00 -1.09 -5.14 105.19 108.82 3hsf n GLY 64 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 2.21 -0.04 1.61 0.52 -1.08 -4.48 118.94 117.68 3hsf s TRP 65 Ca 0.00 1.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.65 3hsf s TRP 65 Cb 0.00 -3.49 0.03 0.00 -1.15 0.00 0.00 33.47 28.86 3hsf s TRP 65 CO 0.00 -2.46 0.05 -1.01 0.02 0.00 0.00 176.95 173.55 3hsf s HIS 66 N -1.79 0.11 1.46 -1.98 3.76 -0.63 -4.08 115.29 112.14 3hsf s HIS 66 Ca 0.76 0.22 -0.24 0.00 -0.15 0.00 0.00 55.06 55.65 3hsf s HIS 66 Cb -0.30 -0.50 0.38 0.00 1.11 0.00 0.00 32.58 33.27 3hsf s HIS 66 CO 0.40 -0.20 0.91 -1.59 -0.85 0.00 0.00 174.74 173.41 3hsf s LYS 67 N 2.13 -3.24 1.40 1.40 -2.85 -1.26 -4.07 119.74 113.25 3hsf s LYS 67 Ca 0.05 0.10 -0.23 0.00 -1.00 0.00 0.00 55.97 54.88 3hsf s LYS 67 Cb -0.12 -1.34 0.36 0.00 -2.06 0.00 0.00 37.83 34.66 3hsf s LYS 67 CO -0.03 -5.07 0.97 0.14 0.10 0.00 0.00 175.35 171.46 3hsf s VAL 68 N -2.21 1.19 -0.12 1.79 -7.23 -1.26 -4.90 120.40 107.67 3hsf s VAL 68 Ca 0.68 0.00 0.24 0.00 -1.81 0.00 0.00 61.98 61.09 3hsf s VAL 68 Cb -0.12 -2.19 0.46 0.00 0.56 0.00 0.00 36.38 35.09 3hsf s VAL 68 CO 0.57 0.00 1.15 1.67 -0.31 0.00 0.00 175.10 178.18 3hsf n GLN 69 N -5.51 0.82 -4.98 4.82 7.27 -1.26 -5.07 117.38 113.47 3hsf n GLN 69 Ca 0.15 -2.69 -0.32 0.00 0.07 0.00 0.00 57.00 54.20 3hsf n GLN 69 Cb 0.61 -0.75 -0.15 0.00 2.41 0.00 0.00 30.24 32.36 3hsf n GLN 69 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 3hsf s ASP 70 N -2.79 3.69 0.00 1.69 1.47 -1.26 -4.99 116.67 114.48 3hsf s ASP 70 Ca 0.32 -0.35 0.00 0.00 1.18 0.00 0.00 52.55 53.69 3hsf s ASP 70 Cb 0.36 -1.15 0.00 0.00 -0.34 0.00 0.00 42.92 41.80 3hsf s ASP 70 CO -0.11 0.24 0.00 1.33 0.68 0.00 0.00 175.17 177.31 3hsf n VAL 71 N 2.99 0.00 -3.22 2.11 0.24 -1.26 -5.00 118.33 114.19 3hsf n VAL 71 Ca -0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 3hsf n VAL 71 Cb 0.52 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.57 3hsf n VAL 71 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3hsf s LYS 72 N -1.55 0.80 -0.20 7.34 -0.14 -1.26 -5.01 119.74 119.73 3hsf s LYS 72 Ca 0.00 -1.00 -0.19 0.00 -1.36 0.00 0.00 55.97 53.42 3hsf s LYS 72 Cb 0.00 -0.55 -0.20 0.00 -1.68 0.00 0.00 37.83 35.40 3hsf s LYS 72 CO 0.00 -1.25 0.23 0.43 -0.76 0.00 0.00 175.35 173.99 3hsf n SER 73 N 3.79 1.90 0.00 2.83 7.64 -1.26 -5.07 113.62 123.46 3hsf n SER 73 Ca 0.15 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3hsf n SER 73 Cb 0.50 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 1.52 -0.19 2.46 0.23 0.00 -1.26 -5.01 105.19 102.94 3hsf n GLY 74 Ca -0.33 0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 4.61 -1.84 1.61 2.88 -1.26 -4.79 113.62 114.83 3hsf n SER 75 Ca 0.00 -3.69 -0.09 0.00 -1.33 0.00 0.00 58.87 53.77 3hsf n SER 75 Cb 0.00 -0.46 0.22 0.00 -0.75 0.00 0.00 64.21 63.23 3hsf n SER 75 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 3hsf n MET 76 N -0.48 2.91 -1.35 -1.46 0.00 -1.26 -4.96 117.12 110.51 3hsf n MET 76 Ca 0.38 -2.47 -0.29 0.00 0.00 0.00 0.00 57.70 55.32 3hsf n MET 76 Cb 0.68 -2.02 0.16 0.00 0.00 0.00 0.00 33.22 32.04 3hsf n MET 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hsf s LEU 77 N -2.48 1.72 -1.03 -0.89 1.43 -1.26 -4.28 118.68 111.90 3hsf s LEU 77 Ca 0.45 1.00 -0.05 0.00 -1.03 0.00 0.00 54.13 54.51 3hsf s LEU 77 Cb 0.37 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 3hsf s LEU 77 CO 0.11 -2.95 0.90 -0.24 0.23 0.00 0.00 176.35 174.39 3hsf n SER 78 N -4.03 -5.63 0.00 2.29 2.88 -1.26 -4.80 113.62 103.07 3hsf n SER 78 Ca 0.06 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 3hsf n SER 78 Cb 0.58 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.04 3hsf n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3hsf n ASN 79 N -3.14 0.00 -2.24 -3.46 5.15 -1.26 -4.94 115.26 105.37 3hsf n ASN 79 Ca -0.11 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.62 3hsf n ASN 79 Cb 0.62 0.10 0.17 0.00 -0.53 0.00 0.00 39.78 40.14 3hsf n ASN 79 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3hsf n ASN 80 N -1.70 4.25 -0.05 1.20 6.94 -1.26 -3.86 115.26 120.78 3hsf n ASN 80 Ca 0.00 -3.63 0.00 0.00 -0.02 0.00 0.00 54.58 50.93 3hsf n ASN 80 Cb 0.00 -0.86 -0.15 0.00 -2.36 0.00 0.00 39.78 36.41 3hsf n ASN 80 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3hsf n ASP 81 N -1.12 0.41 -1.15 0.53 5.68 -1.26 -4.67 116.55 114.97 3hsf n ASP 81 Ca 0.60 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.88 3hsf n ASP 81 Cb 1.55 1.43 -0.02 0.00 -1.14 0.00 0.00 41.12 42.93 3hsf n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hsf n SER 82 N -2.45 -0.01 -3.18 -1.12 7.64 -1.26 -5.02 113.62 108.22 3hsf n SER 82 Ca -0.17 -1.93 0.01 0.00 1.01 0.00 0.00 58.87 57.78 3hsf n SER 82 Cb 0.82 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 64.00 3hsf n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3hsf s ARG 83 N 0.00 0.80 0.23 1.43 3.00 -1.25 -4.54 118.95 118.62 3hsf s ARG 83 Ca 0.15 -0.28 0.04 0.00 -1.00 0.00 0.00 55.73 54.64 3hsf s ARG 83 Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 34.95 35.19 3hsf s ARG 83 CO -0.07 -1.16 0.15 -2.67 0.00 0.00 0.00 175.30 171.56 3hsf n TRP 84 N 4.34 -0.32 -4.40 5.12 4.27 -1.26 -4.55 117.44 120.64 3hsf n TRP 84 Ca 0.11 -1.78 -0.22 0.00 -3.89 0.00 0.00 57.50 51.72 3hsf n TRP 84 Cb 0.57 0.13 -0.08 0.00 -1.36 0.00 0.00 31.31 30.57 3hsf n TRP 84 CO 0.00 0.00 0.00 -1.21 -2.29 0.00 0.00 177.69 174.19 3hsf s GLU 85 N -2.92 1.80 -0.30 -2.67 2.02 -1.26 -2.05 118.70 113.31 3hsf s GLU 85 Ca 0.22 -2.06 0.03 0.00 0.02 0.00 0.00 54.97 53.17 3hsf s GLU 85 Cb 0.01 -0.19 0.08 0.00 0.10 0.00 0.00 34.13 34.13 3hsf s GLU 85 CO 0.15 -0.53 -0.01 -0.06 0.02 0.00 0.00 175.26 174.84 3hsf s PHE 86 N -3.38 3.28 -0.07 1.61 0.40 -0.40 -4.72 117.98 114.70 3hsf s PHE 86 Ca 0.32 -2.54 -0.05 0.00 -0.60 0.00 0.00 56.93 54.06 3hsf s PHE 86 Cb 0.03 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 3hsf s PHE 86 CO 0.19 -0.90 0.15 -1.21 0.70 0.00 0.00 175.22 174.15 3hsf s GLU 87 N 1.08 3.42 0.07 0.44 2.02 -1.26 -2.30 118.70 122.17 3hsf s GLU 87 Ca 0.03 -0.22 -0.24 0.00 0.02 0.00 0.00 54.97 54.56 3hsf s GLU 87 Cb -0.19 -3.14 -0.16 0.00 0.10 0.00 0.00 34.13 30.74 3hsf s GLU 87 CO -0.08 0.74 1.64 -0.91 0.02 0.00 0.00 175.26 176.66 3hsf h ASN 88 N 4.52 -0.04 0.00 -0.19 4.21 -1.90 -2.46 115.58 119.72 3hsf h ASN 88 Ca -0.52 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 56.89 3hsf h ASN 88 Cb 1.21 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3hsf h ASN 88 CO 0.62 0.07 0.00 1.21 -1.29 0.00 0.00 177.43 178.04 3hsf n GLU 89 N -5.06 0.00 0.00 0.81 2.13 -1.26 -1.61 120.64 115.65 3hsf n GLU 89 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3hsf n GLU 89 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.80 3hsf n GLU 89 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3hsf n ARG 90 N 0.00 0.00 0.11 5.31 1.85 -1.26 -4.94 116.66 117.73 3hsf n ARG 90 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3hsf n ARG 90 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3hsf n ARG 90 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3hsf n HIS 91 N -0.17 -2.29 0.43 2.89 -0.00 -1.26 -5.15 115.22 109.68 3hsf n HIS 91 Ca 0.00 0.50 0.03 0.00 -0.00 0.00 0.00 57.72 58.26 3hsf n HIS 91 Cb 0.00 1.17 0.21 0.00 -0.00 0.00 0.00 29.99 31.36 3hsf n HIS 91 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34