#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsw n LEU 2 N 0.00 -0.66 0.05 0.00 7.94 0.31 0.56 117.00 125.20 3hsw n LEU 2 Ca 0.00 1.11 0.04 0.00 -1.11 0.00 0.00 56.01 56.06 3hsw n LEU 2 Cb 0.00 -0.15 0.46 0.00 0.53 0.00 0.00 43.42 44.26 3hsw n LEU 2 CO 0.00 -0.91 1.12 4.11 -1.11 0.00 0.00 177.39 180.60 3hsw h TRP 3 N 0.00 0.41 -0.11 1.96 5.08 -2.00 -0.68 115.95 120.61 3hsw h TRP 3 Ca 0.10 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.98 3hsw h TRP 3 Cb 0.25 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 26.27 3hsw h TRP 3 CO -0.65 0.28 -0.36 1.96 -1.28 0.00 0.00 178.44 178.39 3hsw h GLN 4 N 0.43 0.23 -0.17 0.12 4.20 -0.29 -1.54 115.11 118.10 3hsw h GLN 4 Ca 0.11 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hsw h GLN 4 Cb -0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3hsw h GLN 4 CO -0.02 0.57 -0.02 0.35 -0.67 0.00 0.00 178.83 179.04 3hsw h PHE 5 N 0.20 0.35 -0.55 2.96 3.57 -0.79 0.41 116.94 123.10 3hsw h PHE 5 Ca 0.02 -0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.56 3hsw h PHE 5 Cb 0.74 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 3hsw h PHE 5 CO 0.01 0.55 0.07 0.00 -2.23 0.00 0.00 178.31 176.72 3hsw h ARG 6 N 0.05 0.19 0.00 1.11 3.08 -1.09 -0.84 114.38 116.87 3hsw h ARG 6 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hsw h ARG 6 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3hsw h ARG 6 CO 0.01 0.13 -0.05 0.66 -1.07 0.00 0.00 179.97 179.65 3hsw h SER 7 N 0.20 0.00 -0.68 7.04 4.64 -0.69 -2.76 113.55 121.30 3hsw h SER 7 Ca 0.28 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.61 3hsw h SER 7 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 3hsw h SER 7 CO -0.40 0.00 0.44 0.24 -0.87 0.00 0.00 176.83 176.24 3hsw h MET 8 N 0.00 0.85 -0.21 4.77 2.86 0.11 -1.80 114.93 121.52 3hsw h MET 8 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3hsw h MET 8 Cb 0.86 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3hsw h MET 8 CO 0.00 0.57 0.12 0.82 1.06 0.00 0.00 176.91 179.48 3hsw h ILE 9 N 0.88 1.09 -0.11 -1.22 2.04 -1.05 -1.75 117.51 117.39 3hsw h ILE 9 Ca 0.26 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3hsw h ILE 9 Cb -0.06 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3hsw h ILE 9 CO -0.07 0.09 0.08 0.11 0.00 0.00 0.00 178.15 178.35 3hsw h LYS 10 N 0.25 0.05 -0.14 2.37 1.57 -1.38 0.21 116.57 119.49 3hsw h LYS 10 Ca 0.08 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3hsw h LYS 10 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hsw h LYS 10 CO -0.01 0.03 -0.06 0.00 -0.57 0.00 0.00 179.45 178.83 3hsw h ALA 12 N 0.67 -0.01 -3.10 0.00 0.00 -0.85 -3.21 119.26 112.77 3hsw h ALA 12 Ca 0.03 -0.91 -0.65 0.00 0.00 0.00 0.00 54.91 53.38 3hsw h ALA 12 Cb 0.52 0.14 -0.40 0.00 0.00 0.00 0.00 17.79 18.06 3hsw h ALA 12 CO 0.02 0.86 -0.45 0.42 0.00 0.00 0.00 179.25 180.10 3hsw s ILE 13 N -2.62 3.27 0.26 0.00 1.01 0.69 -4.88 121.20 118.92 3hsw s ILE 13 Ca -0.07 -3.86 -0.01 0.00 0.00 0.00 0.00 60.65 56.70 3hsw s ILE 13 Cb 0.06 -3.13 0.24 0.00 0.01 0.00 0.00 42.46 39.64 3hsw s ILE 13 CO 0.91 -0.97 1.75 -0.65 0.00 0.00 0.00 174.94 175.98 3hsw h PRO 14 N 5.93 0.55 -2.01 2.79 0.11 -1.67 -2.96 132.00 134.75 3hsw h PRO 14 Ca 0.09 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3hsw h PRO 14 Cb 0.82 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3hsw h PRO 14 CO 0.74 0.37 -0.07 0.41 -0.21 0.00 0.00 178.00 179.24 3hsw n GLY 15 N -1.33 2.51 3.08 -0.55 0.00 -1.26 -4.90 105.19 102.74 3hsw n GLY 15 Ca 0.17 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3hsw n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsw s SER 16 N 2.01 0.94 -0.44 1.61 1.04 -1.12 -5.11 113.70 112.63 3hsw s SER 16 Ca 0.13 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.99 3hsw s SER 16 Cb 0.06 0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.34 3hsw s SER 16 CO 0.00 -0.23 0.18 -2.28 0.98 0.00 0.00 173.24 171.89 3hsw s HIS 17 N -1.62 3.12 0.09 5.02 2.46 -1.26 -4.82 115.29 118.28 3hsw s HIS 17 Ca -0.07 -2.93 -0.34 0.00 0.47 0.00 0.00 55.06 52.19 3hsw s HIS 17 Cb -0.08 -2.66 -0.15 0.00 -0.13 0.00 0.00 32.58 29.56 3hsw s HIS 17 CO -0.00 -0.82 1.58 -1.35 -2.47 0.00 0.00 174.74 171.68 3hsw h PRO 18 N 6.99 -0.83 -0.80 2.88 0.11 -1.97 0.18 132.00 138.56 3hsw h PRO 18 Ca -0.06 0.06 0.17 0.00 0.11 0.00 0.00 66.00 66.28 3hsw h PRO 18 Cb 0.95 0.19 -0.15 0.00 0.11 0.00 0.00 31.00 32.10 3hsw h PRO 18 CO 0.59 -0.56 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.65 3hsw h LEU 19 N -0.86 -0.58 -0.22 2.35 4.07 -1.94 0.12 115.31 118.24 3hsw h LEU 19 Ca -0.03 0.23 -0.22 0.00 0.08 0.00 0.00 57.88 57.94 3hsw h LEU 19 Cb 0.78 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.97 3hsw h LEU 19 CO -0.11 -0.24 -0.88 -0.03 -1.08 0.00 0.00 178.44 176.10 3hsw h MET 20 N 0.03 0.44 0.00 1.13 -1.53 -1.82 -3.10 114.93 110.09 3hsw h MET 20 Ca 0.41 -0.44 -0.04 0.00 -3.44 0.00 0.00 59.70 56.19 3hsw h MET 20 Cb 0.69 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.85 3hsw h MET 20 CO -0.78 1.09 -0.23 -0.44 0.14 0.00 0.00 176.91 176.69 3hsw h ASP 21 N 0.27 0.00 -0.42 1.39 3.32 -0.01 -3.41 116.42 117.56 3hsw h ASP 21 Ca -0.07 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.10 3hsw h ASP 21 Cb 1.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.05 3hsw h ASP 21 CO 0.16 1.08 0.00 0.49 -1.72 0.00 0.00 179.24 179.25 3hsw n PHE 22 N -4.58 0.56 -3.93 4.55 3.72 0.37 -4.76 117.46 113.39 3hsw n PHE 22 Ca -0.14 -0.48 -0.36 0.00 -0.05 0.00 0.00 57.45 56.42 3hsw n PHE 22 Cb 0.51 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 3hsw n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3hsw s ASN 23 N -1.01 6.13 -1.08 4.37 2.47 -1.17 -4.29 114.94 120.36 3hsw s ASN 23 Ca 0.29 0.34 -0.20 0.00 0.42 0.00 0.00 52.86 53.71 3hsw s ASN 23 Cb 0.15 -1.98 0.01 0.00 -1.45 0.00 0.00 41.25 37.97 3hsw s ASN 23 CO 0.20 0.34 0.73 0.59 -3.72 0.00 0.00 177.10 175.24 3hsw n ASN 24 N 2.45 -5.17 -4.29 -4.21 5.03 0.88 -4.72 115.26 105.23 3hsw n ASN 24 Ca -0.19 -1.01 -0.33 0.00 0.87 0.00 0.00 54.58 53.92 3hsw n ASN 24 Cb 0.54 -2.86 -0.15 0.00 -1.02 0.00 0.00 39.78 36.29 3hsw n ASN 24 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3hsw s TYR 25 N -3.37 2.75 0.00 3.10 6.14 -0.81 0.11 117.35 125.26 3hsw s TYR 25 Ca 0.38 -0.93 0.00 0.00 0.64 0.00 0.00 57.07 57.16 3hsw s TYR 25 Cb -0.16 -1.84 0.00 0.00 0.42 0.00 0.00 41.96 40.38 3hsw s TYR 25 CO 0.89 -0.39 0.00 0.41 0.64 0.00 0.00 175.55 177.10 3hsw n GLY 26 N 3.80 1.05 0.09 8.97 0.00 0.18 -1.99 105.19 117.28 3hsw n GLY 26 Ca -0.19 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.36 3hsw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsw n TYR 28 N -2.57 0.00 -3.14 0.00 4.01 -1.25 -2.65 117.16 111.56 3hsw n TYR 28 Ca -0.01 -0.09 -0.45 0.00 -0.16 0.00 0.00 57.90 57.19 3hsw n TYR 28 Cb 0.56 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 3hsw n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hsw n GLY 30 N 4.35 0.73 3.70 0.00 0.00 -1.26 -0.08 105.19 112.63 3hsw n GLY 30 Ca 0.22 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 3hsw n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hsw n LEU 31 N 0.00 3.67 0.00 0.99 7.94 -1.26 -4.58 117.00 123.76 3hsw n LEU 31 Ca 0.00 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3hsw n LEU 31 Cb 0.00 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.43 3hsw n LEU 31 CO 0.00 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.86 3hsw n GLY 32 N 3.45 2.65 0.00 -3.96 0.00 -1.26 -4.99 105.19 101.08 3hsw n GLY 32 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3hsw n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsw n GLY 33 N 0.00 2.56 3.26 -0.02 0.00 -1.26 -4.74 105.19 105.00 3hsw n GLY 33 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 3hsw n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsw s SER 34 N 0.00 0.03 0.51 1.61 1.04 -1.08 -5.02 113.70 110.79 3hsw s SER 34 Ca 0.00 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3hsw s SER 34 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3hsw s SER 34 CO 0.00 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.03 3hsw n GLY 35 N -0.13 -0.09 3.84 7.32 0.00 -1.20 -4.75 105.19 110.17 3hsw n GLY 35 Ca -0.13 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 3hsw n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hsw s THR 36 N 0.00 5.34 0.57 2.61 2.01 -1.26 -5.05 115.64 119.85 3hsw s THR 36 Ca 0.00 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 3hsw s THR 36 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3hsw s THR 36 CO 0.00 0.56 1.29 -0.81 -0.69 0.00 0.00 174.62 174.97 3hsw n PRO 37 N 2.27 1.49 0.00 4.92 -0.04 -1.26 -4.87 135.00 137.51 3hsw n PRO 37 Ca -0.17 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 3hsw n PRO 37 Cb 0.54 -2.50 0.68 0.00 -0.04 0.00 0.00 33.50 32.17 3hsw n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3hsw n VAL 38 N -1.24 0.00 -3.65 0.52 0.24 -1.26 -4.89 118.33 108.04 3hsw n VAL 38 Ca 0.12 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.29 3hsw n VAL 38 Cb 0.45 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.51 3hsw n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hsw s ASP 39 N -2.52 -0.38 0.05 -1.34 -1.08 -1.26 -5.01 116.67 105.12 3hsw s ASP 39 Ca 0.29 -0.33 -0.23 0.00 -0.52 0.00 0.00 52.55 51.76 3hsw s ASP 39 Cb 0.20 0.63 -0.16 0.00 -1.46 0.00 0.00 42.92 42.14 3hsw s ASP 39 CO 0.47 -1.11 1.52 -0.33 0.52 0.00 0.00 175.17 176.24 3hsw h GLU 40 N 2.06 0.08 0.27 4.34 3.07 -1.94 -1.80 114.58 120.66 3hsw h GLU 40 Ca -0.28 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.56 3hsw h GLU 40 Cb 1.28 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 3hsw h GLU 40 CO 0.33 0.29 -0.40 1.25 -1.40 0.00 0.00 179.01 179.08 3hsw h LEU 41 N -0.15 -1.15 -1.73 1.33 6.46 -1.92 0.64 115.31 118.79 3hsw h LEU 41 Ca 0.02 0.10 0.22 0.00 -0.12 0.00 0.00 57.88 58.10 3hsw h LEU 41 Cb 0.25 0.40 -0.05 0.00 -0.73 0.00 0.00 40.66 40.53 3hsw h LEU 41 CO 0.00 -0.49 0.59 -0.78 -0.62 0.00 0.00 178.44 177.15 3hsw h ASP 42 N -0.71 0.22 -0.41 1.25 3.58 -1.90 0.51 116.42 118.97 3hsw h ASP 42 Ca -0.03 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 3hsw h ASP 42 Cb 0.64 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 3hsw h ASP 42 CO -0.12 0.09 0.15 -0.09 -2.88 0.00 0.00 179.24 176.38 3hsw h ARG 43 N 0.22 0.62 -0.82 0.28 1.12 -0.39 -0.16 114.38 115.24 3hsw h ARG 43 Ca 0.43 -0.12 0.12 0.00 -1.11 0.00 0.00 59.98 59.30 3hsw h ARG 43 Cb 1.35 -0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 31.16 3hsw h ARG 43 CO -0.10 0.60 0.53 0.00 -3.11 0.00 0.00 179.97 177.89 3hsw h GLU 46 N 0.45 0.36 -0.93 0.00 4.81 -0.11 0.59 114.58 119.74 3hsw h GLU 46 Ca -0.06 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3hsw h GLU 46 Cb 1.42 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 3hsw h GLU 46 CO 0.16 0.41 0.60 1.15 -0.73 0.00 0.00 179.01 180.60 3hsw h THR 47 N 0.22 1.03 -0.10 0.32 2.02 -1.12 0.24 112.91 115.52 3hsw h THR 47 Ca 0.08 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3hsw h THR 47 Cb 0.19 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3hsw h THR 47 CO -0.01 0.19 -0.02 -0.74 0.37 0.00 0.00 175.52 175.31 3hsw h HIS 48 N 1.01 0.21 -0.76 3.16 -0.00 -1.12 0.63 115.15 118.27 3hsw h HIS 48 Ca 0.41 -0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.88 3hsw h HIS 48 Cb 0.27 -0.05 -0.09 0.00 -0.00 0.00 0.00 27.41 27.54 3hsw h HIS 48 CO -0.00 0.48 0.33 -0.44 -0.00 0.00 0.00 177.93 178.30 3hsw h ASP 49 N -0.12 0.35 0.58 3.26 5.19 -0.39 0.09 116.42 125.38 3hsw h ASP 49 Ca 0.03 0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.36 3hsw h ASP 49 Cb 0.41 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 3hsw h ASP 49 CO 0.01 0.15 -0.80 0.78 -3.12 0.00 0.00 179.24 176.26 3hsw h ASN 50 N 0.50 0.20 -0.44 6.45 2.35 0.08 -2.44 115.58 122.28 3hsw h ASN 50 Ca 0.41 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3hsw h ASN 50 Cb 0.60 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3hsw h ASN 50 CO -0.38 0.92 0.24 0.00 -1.65 0.00 0.00 177.43 176.56 3hsw h TYR 52 N 0.66 0.00 -0.22 0.00 -1.99 -0.71 -2.94 116.97 111.77 3hsw h TYR 52 Ca 0.17 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 3hsw h TYR 52 Cb 0.06 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 3hsw h TYR 52 CO 0.00 0.36 -0.21 -0.09 -0.00 0.00 0.00 178.16 178.22 3hsw h ARG 53 N 0.00 0.53 0.13 4.88 2.43 -0.95 -1.72 114.38 119.67 3hsw h ARG 53 Ca -0.00 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3hsw h ARG 53 Cb 1.25 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3hsw h ARG 53 CO 0.05 0.86 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.86 3hsw h ASP 54 N 0.22 -0.15 -0.32 -3.80 3.45 -1.21 -0.58 116.42 114.03 3hsw h ASP 54 Ca 0.04 -0.08 0.07 0.00 0.43 0.00 0.00 57.03 57.48 3hsw h ASP 54 Cb 0.76 0.04 -0.08 0.00 -0.56 0.00 0.00 39.33 39.49 3hsw h ASP 54 CO 0.05 -0.01 -0.26 0.00 -1.57 0.00 0.00 179.24 177.46 3hsw h ALA 55 N 0.58 -0.09 -0.89 3.45 0.00 -1.62 -0.09 119.26 120.59 3hsw h ALA 55 Ca -0.02 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.20 3hsw h ALA 55 Cb 0.22 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 3hsw h ALA 55 CO 0.03 -0.66 0.38 0.87 0.00 0.00 0.00 179.25 179.87 3hsw h LYS 56 N -0.22 0.39 -0.96 0.00 1.57 -1.14 -1.94 116.57 114.26 3hsw h LYS 56 Ca 0.16 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 3hsw h LYS 56 Cb 0.48 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.60 3hsw h LYS 56 CO -0.45 0.26 0.21 0.09 -0.57 0.00 0.00 179.45 178.99 3hsw n ASN 57 N -5.04 3.22 -4.49 0.86 4.13 -0.08 -4.83 115.26 109.02 3hsw n ASN 57 Ca 0.21 -2.59 -0.35 0.00 1.68 0.00 0.00 54.58 53.53 3hsw n ASN 57 Cb 0.63 -0.62 -0.12 0.00 -1.54 0.00 0.00 39.78 38.13 3hsw n ASN 57 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hsw s LEU 58 N -1.28 3.47 0.47 3.41 1.43 -0.73 -4.99 118.68 120.45 3hsw s LEU 58 Ca 0.23 -0.13 0.18 0.00 -1.03 0.00 0.00 54.13 53.38 3hsw s LEU 58 Cb 0.19 -1.90 1.14 0.00 0.03 0.00 0.00 46.19 45.65 3hsw s LEU 58 CO 0.05 0.05 2.02 0.44 0.23 0.00 0.00 176.35 179.14 3hsw h ASP 59 N 7.59 0.00 1.09 2.29 3.32 -1.89 -2.71 116.42 126.12 3hsw h ASP 59 Ca -0.37 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 3hsw h ASP 59 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 3hsw h ASP 59 CO 0.62 0.16 -0.14 0.77 -1.72 0.00 0.00 179.24 178.93 3hsw h SER 60 N 0.00 0.00 -3.66 6.45 4.64 -1.94 -3.43 113.55 115.61 3hsw h SER 60 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3hsw h SER 60 Cb 0.32 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.22 3hsw h SER 60 CO 0.02 0.14 -0.57 0.00 -0.87 0.00 0.00 176.83 175.56 3hsw s LYS 62 N 1.37 1.62 0.61 0.00 2.36 -1.26 -4.81 119.74 119.63 3hsw s LYS 62 Ca 0.06 -2.33 -0.18 0.00 -2.55 0.00 0.00 55.97 50.97 3hsw s LYS 62 Cb -0.15 -2.76 -0.02 0.00 -1.05 0.00 0.00 37.83 33.84 3hsw s LYS 62 CO 0.06 -1.15 1.16 -0.06 1.55 0.00 0.00 175.35 176.90 3hsw s PHE 63 N -0.01 2.48 0.12 4.03 0.08 -1.26 -4.96 117.98 118.45 3hsw s PHE 63 Ca 0.18 1.54 -0.31 0.00 0.12 0.00 0.00 56.93 58.46 3hsw s PHE 63 Cb -0.23 -3.35 -0.09 0.00 -0.57 0.00 0.00 43.02 38.77 3hsw s PHE 63 CO -0.01 -1.96 1.61 -1.17 -0.10 0.00 0.00 175.22 173.59 3hsw s LEU 64 N -4.32 4.37 0.00 -0.37 2.96 -1.26 -1.97 118.68 118.09 3hsw s LEU 64 Ca 0.73 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 57.21 3hsw s LEU 64 Cb -0.26 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.85 3hsw s LEU 64 CO 0.35 -0.85 0.00 0.52 -1.32 0.00 0.00 176.35 175.04 3hsw n VAL 65 N 4.30 0.00 -1.59 1.68 0.31 -1.26 -2.06 118.33 119.71 3hsw n VAL 65 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3hsw n VAL 65 Cb 0.39 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 3hsw n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hsw n ASP 66 N -0.18 -1.55 -3.89 4.52 -0.08 -0.83 -5.02 116.55 109.52 3hsw n ASP 66 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 3hsw n ASP 66 Cb 0.09 -0.47 -0.16 0.00 2.34 0.00 0.00 41.12 42.92 3hsw n ASP 66 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3hsw s ASN 67 N -2.95 3.22 0.60 1.67 3.04 -0.87 -4.92 114.94 114.73 3hsw s ASN 67 Ca 0.00 -0.88 0.29 0.00 0.04 0.00 0.00 52.86 52.31 3hsw s ASN 67 Cb 0.00 -0.97 1.56 0.00 -1.54 0.00 0.00 41.25 40.30 3hsw s ASN 67 CO 0.00 -0.22 1.96 -0.65 -3.04 0.00 0.00 177.10 175.15 3hsw h PRO 68 N 8.08 0.00 0.00 0.43 0.11 -1.90 -1.72 132.00 137.00 3hsw h PRO 68 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3hsw h PRO 68 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hsw h PRO 68 CO 0.40 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 180.07 3hsw h TYR 69 N 0.00 0.00 -0.00 0.65 0.99 -1.93 -0.86 116.97 115.81 3hsw h TYR 69 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 3hsw h TYR 69 Cb 0.89 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.62 3hsw h TYR 69 CO 0.00 0.00 -0.06 2.41 -0.00 0.00 0.00 178.16 180.51 3hsw n THR 70 N -2.59 0.00 -3.64 -2.88 -1.04 -0.65 -0.53 114.28 102.96 3hsw n THR 70 Ca -0.01 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 3hsw n THR 70 Cb 0.11 -0.37 -0.11 0.00 -1.82 0.00 0.00 70.33 68.13 3hsw n THR 70 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3hsw s GLU 71 N -2.73 2.91 0.25 -2.82 2.56 -0.33 -4.86 118.70 113.68 3hsw s GLU 71 Ca 0.22 -1.01 -0.25 0.00 0.00 0.00 0.00 54.97 53.93 3hsw s GLU 71 Cb 0.20 -3.64 -0.09 0.00 2.00 0.00 0.00 34.13 32.59 3hsw s GLU 71 CO 0.50 -0.63 0.85 -1.12 -0.56 0.00 0.00 175.26 174.30 3hsw s SER 72 N 1.54 7.31 0.00 -1.70 0.01 -1.26 0.94 113.70 120.54 3hsw s SER 72 Ca 0.02 1.70 0.00 0.00 1.31 0.00 0.00 55.95 58.98 3hsw s SER 72 Cb -0.19 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3hsw s SER 72 CO 0.06 0.05 0.00 0.00 0.41 0.00 0.00 173.24 173.76 3hsw n TYR 73 N 0.94 0.00 -1.64 2.43 0.18 -1.26 -4.84 117.16 112.97 3hsw n TYR 73 Ca -0.01 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.76 3hsw n TYR 73 Cb 0.50 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.45 3hsw n TYR 73 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3hsw n SER 74 N -0.74 -2.28 -4.36 9.48 2.88 -1.26 -4.76 113.62 112.58 3hsw n SER 74 Ca 0.00 0.17 -0.21 0.00 -1.33 0.00 0.00 58.87 57.50 3hsw n SER 74 Cb 0.05 -1.53 -0.10 0.00 -0.75 0.00 0.00 64.21 61.88 3hsw n SER 74 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3hsw s TYR 75 N -0.14 1.83 0.09 0.66 1.13 -1.26 -3.00 117.35 116.65 3hsw s TYR 75 Ca -0.02 -1.07 0.06 0.00 -1.41 0.00 0.00 57.07 54.63 3hsw s TYR 75 Cb 0.00 -1.16 -0.03 0.00 -1.10 0.00 0.00 41.96 39.67 3hsw s TYR 75 CO 0.10 -0.13 -0.14 -1.54 -2.51 0.00 0.00 175.55 171.32 3hsw s SER 76 N -3.46 1.83 -0.29 -0.18 1.04 -0.64 -4.95 113.70 107.05 3hsw s SER 76 Ca 0.35 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 3hsw s SER 76 Cb 0.08 -0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.23 3hsw s SER 76 CO 0.15 -0.10 0.08 0.00 0.98 0.00 0.00 173.24 174.36 3hsw s SER 78 N 1.65 5.69 -0.92 0.00 0.15 -0.92 -4.80 113.70 114.55 3hsw s SER 78 Ca 0.08 -2.03 -0.07 0.00 0.70 0.00 0.00 55.95 54.63 3hsw s SER 78 Cb -0.17 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 3hsw s SER 78 CO -0.23 -0.66 0.76 -0.46 1.20 0.00 0.00 173.24 173.86 3hsw n ASN 79 N 4.74 -6.55 -1.02 5.45 2.04 -1.26 -3.02 115.26 115.64 3hsw n ASN 79 Ca -0.05 -0.57 -0.10 0.00 -0.44 0.00 0.00 54.58 53.42 3hsw n ASN 79 Cb 0.41 -4.34 -0.02 0.00 -2.53 0.00 0.00 39.78 33.30 3hsw n ASN 79 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 3hsw n THR 80 N -2.82 -0.34 -3.77 5.53 -1.04 -1.21 -4.99 114.28 105.64 3hsw n THR 80 Ca -0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.64 3hsw n THR 80 Cb 0.58 -1.54 -0.16 0.00 -1.82 0.00 0.00 70.33 67.38 3hsw n THR 80 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3hsw s GLU 81 N -4.03 0.84 0.16 -2.82 0.41 -1.17 -4.83 118.70 107.26 3hsw s GLU 81 Ca 0.00 -0.60 -0.27 0.00 -0.41 0.00 0.00 54.97 53.68 3hsw s GLU 81 Cb 0.00 -2.19 -0.07 0.00 -1.78 0.00 0.00 34.13 30.09 3hsw s GLU 81 CO 0.00 -0.67 0.85 0.42 -0.49 0.00 0.00 175.26 175.37 3hsw s ILE 82 N 1.74 4.37 -0.11 -1.63 1.01 -1.26 -2.17 121.20 123.15 3hsw s ILE 82 Ca -0.01 1.86 -0.00 0.00 0.00 0.00 0.00 60.65 62.50 3hsw s ILE 82 Cb -0.17 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.10 3hsw s ILE 82 CO -0.10 0.46 -0.08 -0.89 0.00 0.00 0.00 174.94 174.33 3hsw s THR 83 N -0.79 1.05 -0.32 2.92 2.01 -0.21 -5.01 115.64 115.30 3hsw s THR 83 Ca 0.39 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.82 3hsw s THR 83 Cb -0.24 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3hsw s THR 83 CO 0.28 0.37 0.94 0.00 -0.69 0.00 0.00 174.62 175.52 3hsw n ASN 85 N 6.57 0.63 0.24 0.00 2.85 -1.16 -4.85 115.26 119.54 3hsw n ASN 85 Ca 0.08 1.14 0.14 0.00 -0.11 0.00 0.00 54.58 55.83 3hsw n ASN 85 Cb 0.48 -1.09 0.36 0.00 1.24 0.00 0.00 39.78 40.76 3hsw n ASN 85 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3hsw h SER 86 N 3.06 0.00 -0.04 1.20 4.64 -1.94 -2.70 113.55 117.77 3hsw h SER 86 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3hsw h SER 86 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3hsw h SER 86 CO 0.68 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.93 3hsw n LYS 87 N -3.09 1.29 -1.70 4.77 5.02 -1.26 -4.81 118.16 118.37 3hsw n LYS 87 Ca 0.03 -0.43 -0.43 0.00 -2.02 0.00 0.00 58.31 55.46 3hsw n LYS 87 Cb 0.45 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 3hsw n LYS 87 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hsw n ASN 88 N -0.41 2.99 -4.62 4.39 5.03 -1.02 -5.00 115.26 116.61 3hsw n ASN 88 Ca 0.18 1.19 -0.29 0.00 0.87 0.00 0.00 54.58 56.53 3hsw n ASN 88 Cb 0.19 -1.50 0.19 0.00 -1.02 0.00 0.00 39.78 37.65 3hsw n ASN 88 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3hsw s ASN 89 N -0.05 2.23 0.25 6.41 2.20 -1.26 -4.57 114.94 120.15 3hsw s ASN 89 Ca 0.59 1.41 -0.03 0.00 -0.94 0.00 0.00 52.86 53.89 3hsw s ASN 89 Cb -0.57 -2.10 0.46 0.00 -2.00 0.00 0.00 41.25 37.04 3hsw s ASN 89 CO 0.58 -3.41 1.77 0.00 -2.94 0.00 0.00 177.10 173.10 3hsw h ALA 90 N -2.08 1.17 -0.14 3.54 0.00 -1.96 0.32 119.26 120.11 3hsw h ALA 90 Ca -0.55 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3hsw h ALA 90 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hsw h ALA 90 CO 0.54 -0.06 -0.30 0.00 0.00 0.00 0.00 179.25 179.43 3hsw h GLU 92 N 0.06 0.45 -0.96 0.00 5.08 -1.81 -0.17 114.58 117.22 3hsw h GLU 92 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3hsw h GLU 92 Cb 0.89 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 3hsw h GLU 92 CO 0.07 0.30 0.63 0.00 -1.00 0.00 0.00 179.01 179.00 3hsw h ALA 93 N 1.28 1.27 0.20 3.43 0.00 -0.32 0.79 119.26 125.92 3hsw h ALA 93 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hsw h ALA 93 Cb 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3hsw h ALA 93 CO -0.17 0.52 -0.10 0.35 0.00 0.00 0.00 179.25 179.85 3hsw h PHE 94 N 1.22 -0.25 -0.04 0.00 3.04 -1.06 -0.81 116.94 119.03 3hsw h PHE 94 Ca 0.38 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.36 3hsw h PHE 94 Cb -0.01 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 3hsw h PHE 94 CO -0.01 0.11 -0.30 0.82 -2.02 0.00 0.00 178.31 176.91 3hsw h ILE 95 N -0.66 0.33 -0.74 1.41 1.08 -0.88 -1.63 117.51 116.41 3hsw h ILE 95 Ca -0.03 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.57 3hsw h ILE 95 Cb 0.47 0.33 -0.13 0.00 -3.07 0.00 0.00 36.82 34.42 3hsw h ILE 95 CO 0.05 0.00 -0.33 0.00 -0.69 0.00 0.00 178.15 177.18 3hsw h ASN 97 N -0.09 0.02 -0.16 0.00 -0.26 -0.73 0.22 115.58 114.58 3hsw h ASN 97 Ca 0.29 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.02 3hsw h ASN 97 Cb 0.57 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 3hsw h ASN 97 CO -0.79 0.19 0.10 0.00 -1.06 0.00 0.00 177.43 175.86 3hsw h ASP 99 N 0.18 0.45 -0.07 0.00 3.45 -0.63 -1.62 116.42 118.18 3hsw h ASP 99 Ca 0.06 -0.27 -0.01 0.00 0.43 0.00 0.00 57.03 57.24 3hsw h ASP 99 Cb 0.03 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 3hsw h ASP 99 CO -0.01 0.61 0.02 -0.09 -1.57 0.00 0.00 179.24 178.20 3hsw h ARG 100 N 0.27 0.11 -0.96 3.56 2.43 -1.03 0.17 114.38 118.93 3hsw h ARG 100 Ca 0.08 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 3hsw h ARG 100 Cb 0.36 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 3hsw h ARG 100 CO 0.01 0.29 0.61 -0.91 -1.51 0.00 0.00 179.97 178.46 3hsw h ASN 101 N -0.08 0.89 -0.28 -3.80 2.35 -1.38 0.14 115.58 113.42 3hsw h ASN 101 Ca 0.02 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 3hsw h ASN 101 Cb 0.22 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3hsw h ASN 101 CO -0.00 0.51 -0.40 0.00 -1.65 0.00 0.00 177.43 175.89 3hsw h ALA 102 N 1.53 0.43 -0.46 -0.83 0.00 -0.50 0.44 119.26 119.87 3hsw h ALA 102 Ca 0.45 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hsw h ALA 102 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hsw h ALA 102 CO -0.21 0.53 0.10 0.00 0.00 0.00 0.00 179.25 179.67 3hsw h ALA 103 N 0.68 0.61 -0.35 0.00 0.00 0.09 0.25 119.26 120.53 3hsw h ALA 103 Ca 0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3hsw h ALA 103 Cb 0.99 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3hsw h ALA 103 CO 0.09 0.30 0.14 0.82 0.00 0.00 0.00 179.25 180.61 3hsw h ILE 104 N 0.62 0.93 0.06 0.00 2.04 -0.74 -1.40 117.51 119.01 3hsw h ILE 104 Ca 0.14 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3hsw h ILE 104 Cb 0.34 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hsw h ILE 104 CO 0.00 0.05 -0.22 0.00 0.00 0.00 0.00 178.15 177.99 3hsw h PHE 106 N -0.38 1.02 -0.13 0.00 0.04 -0.34 -1.20 116.94 115.96 3hsw h PHE 106 Ca 0.04 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.88 3hsw h PHE 106 Cb 0.43 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3hsw h PHE 106 CO -0.23 0.47 0.17 0.66 -0.60 0.00 0.00 178.31 178.77 3hsw h SER 107 N 0.96 0.00 0.00 2.17 4.64 -0.62 -2.74 113.55 117.96 3hsw h SER 107 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3hsw h SER 107 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hsw h SER 107 CO -0.21 0.00 -0.46 0.29 -0.87 0.00 0.00 176.83 175.58 3hsw n LYS 108 N -3.65 3.98 -2.53 4.77 5.02 -0.63 -4.98 118.16 120.14 3hsw n LYS 108 Ca 0.00 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3hsw n LYS 108 Cb 0.27 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.33 3hsw n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hsw s ALA 109 N -1.84 3.00 0.35 7.82 0.00 -0.55 -5.03 121.76 125.51 3hsw s ALA 109 Ca 0.03 0.67 -0.27 0.00 0.00 0.00 0.00 51.96 52.39 3hsw s ALA 109 Cb 0.06 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 3hsw s ALA 109 CO 0.35 -0.27 1.21 -1.25 0.00 0.00 0.00 175.76 175.79 3hsw s PRO 110 N -2.80 4.29 -0.26 0.00 0.04 -1.26 -4.93 135.00 130.08 3hsw s PRO 110 Ca 0.62 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 3hsw s PRO 110 Cb -0.20 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 3hsw s PRO 110 CO 0.25 -0.16 0.17 -0.47 0.04 0.00 0.00 177.00 176.83 3hsw s TYR 111 N -1.25 3.24 -0.26 0.56 6.14 -1.26 -4.37 117.35 120.14 3hsw s TYR 111 Ca 0.51 0.11 -0.06 0.00 0.64 0.00 0.00 57.07 58.28 3hsw s TYR 111 Cb -0.35 -2.33 -0.00 0.00 0.42 0.00 0.00 41.96 39.70 3hsw s TYR 111 CO 0.45 -0.10 0.03 -0.80 0.64 0.00 0.00 175.55 175.77 3hsw s ASN 112 N 1.52 4.84 0.24 4.32 0.01 -1.26 -4.99 114.94 119.63 3hsw s ASN 112 Ca 0.07 -0.51 -0.05 0.00 -0.71 0.00 0.00 52.86 51.66 3hsw s ASN 112 Cb -0.15 -1.84 0.37 0.00 0.41 0.00 0.00 41.25 40.04 3hsw s ASN 112 CO 0.08 -0.10 1.84 0.11 -1.51 0.00 0.00 177.10 177.52 3hsw h LYS 113 N 8.19 0.90 -1.56 -0.60 1.57 -1.99 -2.70 116.57 120.38 3hsw h LYS 113 Ca -0.36 -0.05 0.50 0.00 -1.87 0.00 0.00 60.65 58.87 3hsw h LYS 113 Cb 1.15 -0.20 -0.12 0.00 0.08 0.00 0.00 32.23 33.13 3hsw h LYS 113 CO 0.59 0.59 1.05 0.93 -0.57 0.00 0.00 179.45 182.04 3hsw h GLU 114 N 0.92 0.01 -0.33 3.15 3.07 -2.03 -1.90 114.58 117.47 3hsw h GLU 114 Ca 0.39 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3hsw h GLU 114 Cb 0.24 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3hsw h GLU 114 CO -0.20 0.01 0.00 0.72 -1.40 0.00 0.00 179.01 178.14 3hsw n HIS 115 N -4.49 0.42 -2.32 4.33 8.25 -1.02 -4.80 115.22 115.58 3hsw n HIS 115 Ca 0.41 -0.21 -0.41 0.00 -0.26 0.00 0.00 57.72 57.26 3hsw n HIS 115 Cb 1.70 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.77 3hsw n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3hsw s LYS 116 N -1.58 4.49 -1.27 -0.41 2.36 -0.72 0.48 119.74 123.10 3hsw s LYS 116 Ca 0.37 1.95 -0.18 0.00 -2.55 0.00 0.00 55.97 55.57 3hsw s LYS 116 Cb 0.22 -3.18 0.01 0.00 -1.05 0.00 0.00 37.83 33.83 3hsw s LYS 116 CO 0.32 -0.04 0.58 0.09 1.55 0.00 0.00 175.35 177.84 3hsw n ASN 117 N 1.77 -3.06 -4.77 1.43 5.03 0.29 -4.89 115.26 111.06 3hsw n ASN 117 Ca 0.02 -1.13 -0.35 0.00 0.87 0.00 0.00 54.58 53.99 3hsw n ASN 117 Cb 0.44 -2.57 0.01 0.00 -1.02 0.00 0.00 39.78 36.63 3hsw n ASN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3hsw s LEU 118 N -7.00 3.72 -0.87 3.41 0.20 -1.23 -4.93 118.68 111.98 3hsw s LEU 118 Ca 0.32 2.16 -0.25 0.00 0.69 0.00 0.00 54.13 57.05 3hsw s LEU 118 Cb -0.14 -4.58 -0.01 0.00 -0.43 0.00 0.00 46.19 41.03 3hsw s LEU 118 CO 0.92 -1.25 1.76 -0.62 -0.29 0.00 0.00 176.35 176.87 3hsw s ASP 119 N -1.83 5.57 0.48 3.68 -1.08 -1.26 -4.82 116.67 117.41 3hsw s ASP 119 Ca 0.72 -0.68 0.14 0.00 -0.52 0.00 0.00 52.55 52.21 3hsw s ASP 119 Cb -0.24 -2.56 1.12 0.00 -1.46 0.00 0.00 42.92 39.79 3hsw s ASP 119 CO 0.28 -2.31 2.08 0.71 0.52 0.00 0.00 175.17 176.45 3hsw h THR 120 N 6.99 1.06 -0.00 1.71 1.35 -1.91 -2.07 112.91 120.04 3hsw h THR 120 Ca 0.04 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3hsw h THR 120 Cb 1.04 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3hsw h THR 120 CO 1.27 0.07 -0.09 0.29 -0.25 0.00 0.00 175.52 176.82 3hsw n LYS 121 N -4.46 0.19 -0.11 4.72 4.76 -1.26 -2.35 118.16 119.65 3hsw n LYS 121 Ca -0.02 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.17 3hsw n LYS 121 Cb 0.14 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.71 3hsw n LYS 121 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3hsw n LYS 122 N -1.37 0.65 -0.02 1.97 4.81 -1.07 -4.80 118.16 118.33 3hsw n LYS 122 Ca 0.09 0.21 0.04 0.00 -0.87 0.00 0.00 58.31 57.78 3hsw n LYS 122 Cb 0.31 -1.55 0.04 0.00 0.02 0.00 0.00 35.03 33.85 3hsw n LYS 122 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hsw n TYR 123 N -3.54 0.05 -0.21 5.64 4.01 -0.80 -5.13 117.16 117.18 3hsw n TYR 123 Ca -0.45 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 3hsw n TYR 123 Cb 0.96 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 3hsw n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40