#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw6 n GLY -1 N 0.00 -1.08 3.58 -0.72 0.00 0.82 -5.02 105.19 102.76 3hw6 n GLY -1 Ca 0.00 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 3hw6 n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw6 s SER 0 N -5.07 6.23 0.16 1.61 0.15 -1.26 -4.92 113.70 110.60 3hw6 s SER 0 Ca 0.64 0.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.27 3hw6 s SER 0 Cb -0.02 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.10 3hw6 s SER 0 CO 0.44 -0.27 1.52 -0.03 1.20 0.00 0.00 173.24 176.11 3hw6 h MET 1 N 8.31 0.91 0.00 5.44 4.05 -1.97 -0.14 114.93 131.53 3hw6 h MET 1 Ca -0.31 -0.44 -0.02 0.00 -0.28 0.00 0.00 59.70 58.66 3hw6 h MET 1 Cb 1.15 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3hw6 h MET 1 CO 0.67 1.09 -0.08 1.49 0.23 0.00 0.00 176.91 180.31 3hw6 h GLU 2 N 0.76 0.00 0.00 0.39 4.81 -1.87 0.52 114.58 119.19 3hw6 h GLU 2 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3hw6 h GLU 2 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3hw6 h GLU 2 CO 0.08 0.08 0.00 -0.25 -0.73 0.00 0.00 179.01 178.19 3hw6 n ASP 3 N -4.10 0.00 -0.34 1.04 9.92 -0.16 -2.83 116.55 120.09 3hw6 n ASP 3 Ca -0.03 0.65 -0.04 0.00 -0.53 0.00 0.00 54.79 54.85 3hw6 n ASP 3 Cb 0.17 -0.24 -0.01 0.00 -0.64 0.00 0.00 41.12 40.40 3hw6 n ASP 3 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3hw6 n PHE 4 N -1.22 -0.12 -0.19 1.24 7.35 -0.63 -0.01 117.46 123.88 3hw6 n PHE 4 Ca 0.00 1.06 -0.12 0.00 -0.76 0.00 0.00 57.45 57.63 3hw6 n PHE 4 Cb 0.00 -0.73 -0.08 0.00 0.35 0.00 0.00 39.48 39.02 3hw6 n PHE 4 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3hw6 h VAL 5 N 0.00 0.03 -0.82 -2.13 2.07 -1.05 0.79 116.25 115.15 3hw6 h VAL 5 Ca 0.24 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.79 3hw6 h VAL 5 Cb 0.45 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3hw6 h VAL 5 CO -0.83 0.00 0.54 0.03 0.02 0.00 0.00 177.57 177.33 3hw6 h ARG 6 N -0.30 0.99 -0.67 1.57 3.08 -0.27 -1.90 114.38 116.88 3hw6 h ARG 6 Ca 0.12 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.80 3hw6 h ARG 6 Cb 0.57 -0.22 -0.18 0.00 0.08 0.00 0.00 29.97 30.21 3hw6 h ARG 6 CO -0.66 0.65 0.28 1.04 -1.07 0.00 0.00 179.97 180.21 3hw6 n GLN 7 N -4.45 2.38 0.00 0.04 6.02 -0.37 -4.43 117.38 116.57 3hw6 n GLN 7 Ca 0.11 -3.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.01 3hw6 n GLN 7 Cb 0.11 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.34 3hw6 n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hw6 s PHE 9 N 0.00 2.18 0.14 0.00 0.40 -0.74 -4.99 117.98 114.97 3hw6 s PHE 9 Ca 0.00 -0.78 -0.31 0.00 -0.60 0.00 0.00 56.93 55.24 3hw6 s PHE 9 Cb 0.00 -1.78 -0.09 0.00 0.51 0.00 0.00 43.02 41.66 3hw6 s PHE 9 CO 0.00 0.19 1.45 1.21 0.70 0.00 0.00 175.22 178.77 3hw6 s ASN 10 N -3.89 6.73 0.12 1.36 2.47 -1.26 -4.87 114.94 115.60 3hw6 s ASN 10 Ca 0.25 2.46 -0.23 0.00 0.42 0.00 0.00 52.86 55.76 3hw6 s ASN 10 Cb 0.04 -2.59 -0.05 0.00 -1.45 0.00 0.00 41.25 37.19 3hw6 s ASN 10 CO 0.14 -0.71 1.24 -2.65 -3.72 0.00 0.00 177.10 171.40 3hw6 n PRO 11 N 3.80 -0.33 -0.23 0.43 -0.02 -1.26 0.12 135.00 137.51 3hw6 n PRO 11 Ca 0.12 1.22 -0.05 0.00 -2.02 0.00 0.00 63.50 62.77 3hw6 n PRO 11 Cb 0.41 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 3hw6 n PRO 11 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3hw6 n MET 12 N -4.80 -0.22 -0.08 -0.52 0.00 -1.26 -1.45 117.12 108.80 3hw6 n MET 12 Ca 0.01 0.84 -0.13 0.00 0.00 0.00 0.00 57.70 58.42 3hw6 n MET 12 Cb 0.19 -1.24 -0.05 0.00 0.00 0.00 0.00 33.22 32.12 3hw6 n MET 12 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 3hw6 h ILE 13 N 0.00 1.32 -0.39 1.12 2.04 0.60 -0.65 117.51 121.54 3hw6 h ILE 13 Ca 0.11 -1.46 0.05 0.00 1.00 0.00 0.00 64.86 64.55 3hw6 h ILE 13 Cb 0.25 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 3hw6 h ILE 13 CO -0.53 0.46 0.14 0.58 0.00 0.00 0.00 178.15 178.79 3hw6 h VAL 14 N 0.30 0.89 0.00 1.67 2.07 0.02 -2.57 116.25 118.63 3hw6 h VAL 14 Ca 0.03 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3hw6 h VAL 14 Cb 0.85 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3hw6 h VAL 14 CO 0.07 0.05 -0.44 -0.08 0.02 0.00 0.00 177.57 177.19 3hw6 h GLU 15 N 0.29 0.00 -0.38 1.57 4.81 -1.03 1.37 114.58 121.22 3hw6 h GLU 15 Ca 0.18 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 3hw6 h GLU 15 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3hw6 h GLU 15 CO -0.18 0.02 -0.33 -0.07 -0.73 0.00 0.00 179.01 177.72 3hw6 h LEU 16 N 0.00 0.91 0.04 1.64 3.38 -1.13 -1.86 115.31 118.28 3hw6 h LEU 16 Ca -0.00 -0.39 -0.27 0.00 0.09 0.00 0.00 57.88 57.31 3hw6 h LEU 16 Cb 1.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3hw6 h LEU 16 CO 0.00 1.16 -1.42 0.00 0.09 0.00 0.00 178.44 178.27 3hw6 h ALA 17 N 0.89 0.48 -0.05 1.53 0.00 -1.12 0.28 119.26 121.27 3hw6 h ALA 17 Ca 0.07 -1.17 0.02 0.00 0.00 0.00 0.00 54.91 53.83 3hw6 h ALA 17 Cb 0.90 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3hw6 h ALA 17 CO 0.08 1.34 -0.09 1.49 0.00 0.00 0.00 179.25 182.08 3hw6 h GLU 18 N 0.02 -0.12 -0.07 0.00 4.81 0.17 -2.54 114.58 116.86 3hw6 h GLU 18 Ca -0.18 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 3hw6 h GLU 18 Cb 1.93 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 3hw6 h GLU 18 CO 0.12 -0.08 -0.49 0.87 -0.73 0.00 0.00 179.01 178.70 3hw6 h LYS 19 N -0.12 0.18 0.00 1.92 1.79 -1.21 -2.00 116.57 117.12 3hw6 h LYS 19 Ca 0.05 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 3hw6 h LYS 19 Cb 0.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3hw6 h LYS 19 CO -0.13 0.63 -0.08 0.00 -1.08 0.00 0.00 179.45 178.79 3hw6 h ALA 20 N 1.36 1.48 0.03 3.86 0.00 -0.35 -3.10 119.26 122.53 3hw6 h ALA 20 Ca 0.01 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 3hw6 h ALA 20 Cb 0.91 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hw6 h ALA 20 CO 0.07 0.10 -1.27 0.52 0.00 0.00 0.00 179.25 178.68 3hw6 h MET 21 N 0.00 0.07 -0.94 0.00 2.86 -0.95 -3.36 114.93 112.61 3hw6 h MET 21 Ca -0.00 -0.11 0.16 0.00 -2.06 0.00 0.00 59.70 57.68 3hw6 h MET 21 Cb 0.20 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.82 3hw6 h MET 21 CO 0.01 1.05 0.60 0.87 1.06 0.00 0.00 176.91 180.50 3hw6 h LYS 22 N -0.77 0.71 -0.09 1.72 1.57 -1.42 -0.42 116.57 117.87 3hw6 h LYS 22 Ca -0.32 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.44 3hw6 h LYS 22 Cb 1.43 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 3hw6 h LYS 22 CO -0.12 0.47 0.16 1.49 -0.57 0.00 0.00 179.45 180.88 3hw6 h GLU 23 N 0.73 0.00 -0.32 3.15 4.81 -1.68 -0.26 114.58 121.01 3hw6 h GLU 23 Ca 0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 3hw6 h GLU 23 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3hw6 h GLU 23 CO -0.25 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.69 3hw6 n TYR 24 N -3.46 0.42 -3.04 0.92 4.02 -0.21 -5.00 117.16 110.81 3hw6 n TYR 24 Ca -0.01 -0.35 -0.11 0.00 -0.01 0.00 0.00 57.90 57.42 3hw6 n TYR 24 Cb 0.25 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.61 3hw6 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw6 n GLY 25 N 0.81 -0.98 3.01 2.72 0.00 -0.11 -5.02 105.19 105.61 3hw6 n GLY 25 Ca 0.13 0.48 -0.25 0.00 0.00 0.00 0.00 46.02 46.38 3hw6 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw6 s GLU 26 N -4.03 1.69 -0.01 1.61 2.02 -1.06 -5.02 118.70 113.90 3hw6 s GLU 26 Ca 0.34 -0.39 -0.24 0.00 0.02 0.00 0.00 54.97 54.69 3hw6 s GLU 26 Cb -0.04 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 3hw6 s GLU 26 CO 0.66 -0.02 0.74 0.34 0.02 0.00 0.00 175.26 177.00 3hw6 s ASP 27 N 0.84 7.10 0.10 -0.19 3.68 -1.26 -3.67 116.67 123.28 3hw6 s ASP 27 Ca -0.11 1.32 0.12 0.00 2.13 0.00 0.00 52.55 56.02 3hw6 s ASP 27 Cb -0.15 -2.44 0.57 0.00 -1.45 0.00 0.00 42.92 39.45 3hw6 s ASP 27 CO 0.02 -0.06 1.39 -2.65 0.13 0.00 0.00 175.17 173.99 3hw6 n PRO 28 N 3.33 0.06 -0.06 4.34 -0.02 -1.26 -0.54 135.00 140.84 3hw6 n PRO 28 Ca -0.02 0.43 -0.11 0.00 -2.02 0.00 0.00 63.50 61.79 3hw6 n PRO 28 Cb 0.51 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 32.19 3hw6 n PRO 28 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hw6 n LYS 29 N -1.76 0.67 -0.09 -0.52 5.02 -1.26 -4.16 118.16 116.06 3hw6 n LYS 29 Ca 0.01 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 3hw6 n LYS 29 Cb 0.10 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.38 3hw6 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hw6 h ILE 30 N 0.01 0.68 -1.27 -0.18 2.04 -1.96 -3.42 117.51 113.40 3hw6 h ILE 30 Ca -0.43 -1.75 -0.75 0.00 1.00 0.00 0.00 64.86 62.93 3hw6 h ILE 30 Cb 2.10 1.52 -0.14 0.00 -0.74 0.00 0.00 36.82 39.57 3hw6 h ILE 30 CO 0.05 0.23 2.26 -0.62 0.00 0.00 0.00 178.15 180.07 3hw6 n GLU 31 N -4.54 4.34 0.05 2.37 -0.58 0.30 -4.71 120.64 117.88 3hw6 n GLU 31 Ca -0.19 -3.52 -0.06 0.00 -0.42 0.00 0.00 57.16 52.96 3hw6 n GLU 31 Cb 0.47 -2.71 -0.11 0.00 -0.57 0.00 0.00 31.44 28.53 3hw6 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw6 h THR 32 N 2.92 1.45 -0.10 2.62 1.35 -1.81 0.19 112.91 119.53 3hw6 h THR 32 Ca 0.61 -3.15 -0.06 0.00 -0.55 0.00 0.00 66.41 63.26 3hw6 h THR 32 Cb 0.40 2.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3hw6 h THR 32 CO 1.51 0.83 -0.17 0.78 -0.25 0.00 0.00 175.52 178.22 3hw6 h ASN 33 N 0.00 0.33 0.01 5.36 2.35 -1.92 -1.87 115.58 119.83 3hw6 h ASN 33 Ca -0.06 -0.54 -0.05 0.00 -0.55 0.00 0.00 56.30 55.10 3hw6 h ASN 33 Cb 1.77 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 40.04 3hw6 h ASN 33 CO 0.11 0.80 -0.14 0.50 -1.65 0.00 0.00 177.43 177.06 3hw6 h LYS 34 N -0.13 0.27 0.39 0.81 3.64 -1.94 -1.88 116.57 117.73 3hw6 h LYS 34 Ca 0.01 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hw6 h LYS 34 Cb 0.74 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3hw6 h LYS 34 CO 0.04 0.41 -0.44 0.35 -2.27 0.00 0.00 179.45 177.53 3hw6 h PHE 35 N 0.25 -1.22 -0.24 1.91 -0.00 -0.40 -1.17 116.94 116.07 3hw6 h PHE 35 Ca 0.05 0.01 0.06 0.00 -0.00 0.00 0.00 57.97 58.09 3hw6 h PHE 35 Cb 0.40 0.48 -0.06 0.00 -0.00 0.00 0.00 35.95 36.77 3hw6 h PHE 35 CO 0.01 -0.59 -0.15 0.00 -0.00 0.00 0.00 178.31 177.57 3hw6 h ALA 36 N -0.56 0.03 -0.68 2.41 0.00 -1.22 -2.32 119.26 116.92 3hw6 h ALA 36 Ca -0.04 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3hw6 h ALA 36 Cb 0.78 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3hw6 h ALA 36 CO -0.09 -0.57 0.15 0.00 0.00 0.00 0.00 179.25 178.74 3hw6 h ALA 37 N 1.03 0.83 0.38 0.00 0.00 -1.12 0.13 119.26 120.52 3hw6 h ALA 37 Ca 0.13 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hw6 h ALA 37 Cb 0.34 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3hw6 h ALA 37 CO -0.33 -0.32 -0.28 0.82 0.00 0.00 0.00 179.25 179.14 3hw6 h ILE 38 N 0.26 0.42 -0.71 0.00 2.04 -0.96 0.23 117.51 118.79 3hw6 h ILE 38 Ca 0.37 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.38 3hw6 h ILE 38 Cb 0.59 0.42 -0.11 0.00 -0.74 0.00 0.00 36.82 36.98 3hw6 h ILE 38 CO -0.47 0.00 0.14 0.00 0.00 0.00 0.00 178.15 177.82 3hw6 h THR 40 N 0.24 0.21 -1.05 0.00 2.02 -0.61 -0.52 112.91 113.19 3hw6 h THR 40 Ca 0.39 -0.22 0.27 0.00 0.77 0.00 0.00 66.41 67.63 3hw6 h THR 40 Cb 0.66 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.24 3hw6 h THR 40 CO -0.51 0.02 0.68 -0.74 0.37 0.00 0.00 175.52 175.34 3hw6 h HIS 41 N -1.10 0.62 0.09 3.16 6.17 -0.08 0.33 115.15 124.34 3hw6 h HIS 41 Ca -0.09 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.00 3hw6 h HIS 41 Cb 0.74 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.49 3hw6 h HIS 41 CO -0.00 0.05 -0.04 1.25 0.71 0.00 0.00 177.93 179.89 3hw6 h LEU 42 N 0.36 -0.10 -0.88 0.26 5.85 -1.10 -2.89 115.31 116.82 3hw6 h LEU 42 Ca 0.60 -0.43 0.12 0.00 0.84 0.00 0.00 57.88 59.01 3hw6 h LEU 42 Cb 1.57 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.54 3hw6 h LEU 42 CO -0.28 0.41 0.50 -0.08 -0.34 0.00 0.00 178.44 178.64 3hw6 h GLU 43 N -0.65 0.76 -0.21 1.25 4.81 0.13 -0.41 114.58 120.26 3hw6 h GLU 43 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3hw6 h GLU 43 Cb 0.52 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3hw6 h GLU 43 CO 0.02 0.50 0.11 0.28 -0.73 0.00 0.00 179.01 179.19 3hw6 h VAL 44 N 0.78 1.12 -0.98 0.32 2.07 -1.18 -2.67 116.25 115.71 3hw6 h VAL 44 Ca 0.45 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.76 3hw6 h VAL 44 Cb 0.50 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 3hw6 h VAL 44 CO -0.29 0.11 0.62 0.00 0.02 0.00 0.00 177.57 178.03 3hw6 n PHE 46 N -4.59 0.00 -0.01 0.00 3.72 -0.83 -2.68 117.46 113.07 3hw6 n PHE 46 Ca 0.18 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.63 3hw6 n PHE 46 Cb 0.35 -0.18 -0.10 0.00 -0.94 0.00 0.00 39.48 38.61 3hw6 n PHE 46 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hw6 n MET 47 N -1.18 0.55 0.09 -1.08 2.81 0.07 -4.30 117.12 114.08 3hw6 n MET 47 Ca 0.16 -0.11 0.12 0.00 -1.81 0.00 0.00 57.70 56.06 3hw6 n MET 47 Cb 0.17 -1.31 0.45 0.00 -0.71 0.00 0.00 33.22 31.82 3hw6 n MET 47 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 3hw6 n TYR 48 N -2.01 0.64 -2.44 2.03 4.19 -0.01 -5.03 117.16 114.54 3hw6 n TYR 48 Ca -0.04 0.22 -0.33 0.00 3.31 0.00 0.00 57.90 61.05 3hw6 n TYR 48 Cb 0.40 -0.85 -0.03 0.00 0.49 0.00 0.00 39.34 39.35 3hw6 n TYR 48 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 3hw6 s SER 49 N -4.02 6.31 0.00 2.98 0.01 -1.18 -5.01 113.70 112.79 3hw6 s SER 49 Ca 0.08 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.17 3hw6 s SER 49 Cb 0.12 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3hw6 s SER 49 CO 0.47 -0.80 0.00 -1.14 0.41 0.00 0.00 173.24 172.17 3hw6 n ARG 75 N -1.26 0.00 -3.80 12.44 0.63 -1.26 -5.05 116.66 118.35 3hw6 n ARG 75 Ca 0.09 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.65 3hw6 n ARG 75 Cb 0.53 -0.07 -0.11 0.00 0.45 0.00 0.00 32.46 33.26 3hw6 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hw6 s PHE 76 N 0.00 3.17 0.08 -0.14 0.40 -1.26 0.19 117.98 120.43 3hw6 s PHE 76 Ca 0.00 -0.12 -0.16 0.00 -0.60 0.00 0.00 56.93 56.05 3hw6 s PHE 76 Cb 0.00 -2.22 -0.06 0.00 0.51 0.00 0.00 43.02 41.25 3hw6 s PHE 76 CO 0.00 -0.13 0.52 -2.00 0.70 0.00 0.00 175.22 174.30 3hw6 s GLU 77 N 1.23 4.05 -0.03 0.44 2.56 -0.07 -4.93 118.70 121.95 3hw6 s GLU 77 Ca 0.05 0.57 -0.16 0.00 0.00 0.00 0.00 54.97 55.44 3hw6 s GLU 77 Cb -0.14 -3.14 -0.05 0.00 2.00 0.00 0.00 34.13 32.80 3hw6 s GLU 77 CO 0.04 0.60 0.42 0.96 -0.56 0.00 0.00 175.26 176.73 3hw6 s ILE 78 N -1.22 5.06 -0.02 -3.70 -0.00 -1.26 -1.70 121.20 118.36 3hw6 s ILE 78 Ca 0.30 0.87 0.00 0.00 -0.00 0.00 0.00 60.65 61.82 3hw6 s ILE 78 Cb -0.17 -3.74 -0.02 0.00 -0.00 0.00 0.00 42.46 38.53 3hw6 s ILE 78 CO 0.18 0.52 -0.02 -0.38 -0.00 0.00 0.00 174.94 175.23 3hw6 n ILE 79 N 2.27 0.14 -2.03 8.37 2.08 0.70 -4.93 119.36 125.95 3hw6 n ILE 79 Ca -0.12 -0.05 -0.35 0.00 0.56 0.00 0.00 62.75 62.78 3hw6 n ILE 79 Cb 0.52 -0.59 0.03 0.00 -0.75 0.00 0.00 39.64 38.85 3hw6 n ILE 79 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3hw6 s GLU 80 N -2.05 3.02 0.00 0.38 2.56 -1.08 -3.04 118.70 118.50 3hw6 s GLU 80 Ca -0.03 1.74 0.00 0.00 0.00 0.00 0.00 54.97 56.67 3hw6 s GLU 80 Cb 0.01 -1.95 0.00 0.00 2.00 0.00 0.00 34.13 34.19 3hw6 s GLU 80 CO 0.06 -1.14 0.00 0.41 -0.56 0.00 0.00 175.26 174.02 3hw6 n GLY 81 N 0.34 2.90 3.78 -1.50 0.00 -1.26 -5.04 105.19 104.40 3hw6 n GLY 81 Ca 0.13 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 3hw6 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw6 s ARG 82 N 0.00 2.96 0.71 1.61 0.52 -1.17 -4.97 118.95 118.61 3hw6 s ARG 82 Ca 0.00 1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 56.40 3hw6 s ARG 82 Cb 0.00 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.53 3hw6 s ARG 82 CO 0.00 -1.12 1.23 -0.51 0.02 0.00 0.00 175.30 174.92 3hw6 s ASP 83 N -2.60 4.26 0.29 0.23 1.11 -1.26 -4.73 116.67 113.96 3hw6 s ASP 83 Ca 0.66 2.42 -0.00 0.00 0.18 0.00 0.00 52.55 55.82 3hw6 s ASP 83 Cb -0.19 -2.60 0.44 0.00 1.07 0.00 0.00 42.92 41.64 3hw6 s ASP 83 CO 0.40 -2.22 1.84 -0.09 1.18 0.00 0.00 175.17 176.28 3hw6 h ARG 84 N -0.12 0.78 -0.27 8.23 2.43 -1.96 0.10 114.38 123.58 3hw6 h ARG 84 Ca -0.48 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 58.58 3hw6 h ARG 84 Cb 1.31 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3hw6 h ARG 84 CO 0.50 0.71 -0.01 1.15 -1.51 0.00 0.00 179.97 180.81 3hw6 h THR 85 N 0.76 0.80 -0.16 0.20 2.02 -1.99 0.12 112.91 114.65 3hw6 h THR 85 Ca 0.17 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.20 3hw6 h THR 85 Cb 0.28 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3hw6 h THR 85 CO -0.00 0.01 -0.44 0.24 0.37 0.00 0.00 175.52 175.70 3hw6 h MET 86 N 0.07 0.38 0.32 6.66 2.86 -1.51 -2.53 114.93 121.18 3hw6 h MET 86 Ca 0.13 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3hw6 h MET 86 Cb 0.17 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hw6 h MET 86 CO -0.22 0.75 -0.15 0.00 1.06 0.00 0.00 176.91 178.35 3hw6 h ALA 87 N 1.22 -0.42 -0.89 6.32 0.00 -0.61 -2.05 119.26 122.83 3hw6 h ALA 87 Ca 0.02 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.87 3hw6 h ALA 87 Cb 0.90 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3hw6 h ALA 87 CO 0.07 -0.49 0.57 -1.49 0.00 0.00 0.00 179.25 177.92 3hw6 h TRP 88 N -0.92 0.89 -0.26 0.00 4.06 -0.81 0.22 115.95 119.13 3hw6 h TRP 88 Ca -0.04 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 3hw6 h TRP 88 Cb 0.52 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 3hw6 h TRP 88 CO 0.04 0.36 0.07 1.79 -3.56 0.00 0.00 178.44 177.14 3hw6 h THR 89 N 0.79 1.21 -0.18 1.49 1.35 -1.48 -1.63 112.91 114.45 3hw6 h THR 89 Ca 0.43 -0.68 0.04 0.00 -0.55 0.00 0.00 66.41 65.66 3hw6 h THR 89 Cb 0.57 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 3hw6 h THR 89 CO -0.20 0.22 -0.10 0.58 -0.25 0.00 0.00 175.52 175.78 3hw6 h VAL 90 N 0.26 0.70 -0.02 6.82 2.07 -0.25 -1.09 116.25 124.74 3hw6 h VAL 90 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3hw6 h VAL 90 Cb 0.27 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3hw6 h VAL 90 CO -0.00 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.87 3hw6 h VAL 91 N -0.08 0.33 -0.63 2.57 2.07 -0.55 -3.11 116.25 116.85 3hw6 h VAL 91 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 3hw6 h VAL 91 Cb 0.23 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3hw6 h VAL 91 CO -0.23 0.00 0.33 0.78 0.02 0.00 0.00 177.57 178.47 3hw6 h ASN 92 N -0.44 0.48 -0.63 0.57 4.21 -0.22 -0.03 115.58 119.51 3hw6 h ASN 92 Ca 0.07 0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.65 3hw6 h ASN 92 Cb 0.54 -0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 37.64 3hw6 h ASN 92 CO -0.27 0.31 0.38 0.77 -1.29 0.00 0.00 177.43 177.33 3hw6 h SER 93 N 0.62 0.62 0.49 5.81 4.64 -1.34 0.82 113.55 125.20 3hw6 h SER 93 Ca 0.29 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3hw6 h SER 93 Cb 0.21 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3hw6 h SER 93 CO -0.20 0.43 -0.31 0.40 -0.87 0.00 0.00 176.83 176.28 3hw6 h ILE 94 N 0.75 0.37 -0.06 0.95 2.04 -1.36 0.20 117.51 120.39 3hw6 h ILE 94 Ca 0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.14 3hw6 h ILE 94 Cb 0.05 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3hw6 h ILE 94 CO -0.12 0.00 0.06 0.00 0.00 0.00 0.00 178.15 178.09 3hw6 h ASN 96 N 0.00 0.23 0.03 0.00 -0.00 0.92 -3.35 115.58 113.41 3hw6 h ASN 96 Ca 0.03 -0.30 -0.11 0.00 -0.00 0.00 0.00 56.30 55.92 3hw6 h ASN 96 Cb 0.14 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.38 3hw6 h ASN 96 CO -0.00 1.24 -0.58 0.74 -0.00 0.00 0.00 177.43 178.83 3hw6 h THR 97 N 0.04 1.45 -4.14 6.14 2.02 0.71 -3.43 112.91 115.71 3hw6 h THR 97 Ca -0.17 -2.34 -0.50 0.00 0.77 0.00 0.00 66.41 64.17 3hw6 h THR 97 Cb 1.94 3.00 0.05 0.00 -1.74 0.00 0.00 68.15 71.40 3hw6 h THR 97 CO 0.15 0.56 0.33 0.42 0.37 0.00 0.00 175.52 177.35 3hw6 s THR 98 N -2.31 4.72 -0.34 3.16 -4.23 0.93 -4.97 115.64 112.60 3hw6 s THR 98 Ca -0.21 0.67 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 3hw6 s THR 98 Cb 0.01 -3.86 0.43 0.00 1.34 0.00 0.00 72.50 70.42 3hw6 s THR 98 CO 0.69 -1.05 1.49 0.61 -0.54 0.00 0.00 174.62 175.83 3hw6 n GLY 99 N -2.62 3.27 3.77 3.99 0.00 -1.26 -4.48 105.19 107.86 3hw6 n GLY 99 Ca 0.04 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 3hw6 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw6 s VAL 100 N -2.04 3.47 0.50 1.61 1.01 -1.26 -4.99 120.40 118.70 3hw6 s VAL 100 Ca 0.35 1.30 -0.23 0.00 0.00 0.00 0.00 61.98 63.39 3hw6 s VAL 100 Cb 0.29 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 3hw6 s VAL 100 CO 0.07 0.18 1.39 -0.70 0.00 0.00 0.00 175.10 176.04 3hw6 s GLU 101 N -2.00 3.39 0.12 2.72 2.12 -1.26 -4.80 118.70 118.98 3hw6 s GLU 101 Ca 0.52 2.32 -0.30 0.00 0.36 0.00 0.00 54.97 57.87 3hw6 s GLU 101 Cb -0.29 -2.44 -0.06 0.00 0.26 0.00 0.00 34.13 31.61 3hw6 s GLU 101 CO 0.36 -1.02 1.08 0.21 -0.54 0.00 0.00 175.26 175.35 3hw6 s LYS 102 N -2.70 4.58 0.39 4.30 2.20 -1.26 -5.01 119.74 122.24 3hw6 s LYS 102 Ca 0.67 1.63 -0.16 0.00 -0.36 0.00 0.00 55.97 57.75 3hw6 s LYS 102 Cb -0.42 -3.34 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 3hw6 s LYS 102 CO 0.52 0.02 0.83 -1.25 -0.36 0.00 0.00 175.35 175.10 3hw6 s PRO 103 N 0.18 4.01 0.21 4.03 0.05 -1.26 -4.93 135.00 137.29 3hw6 s PRO 103 Ca 0.51 0.78 0.01 0.00 0.05 0.00 0.00 61.00 62.35 3hw6 s PRO 103 Cb -0.27 -2.32 0.15 0.00 0.05 0.00 0.00 34.50 32.11 3hw6 s PRO 103 CO 0.32 0.02 1.50 0.87 0.05 0.00 0.00 177.00 179.76 3hw6 h LYS 104 N 1.81 0.35 0.00 4.56 1.57 -1.95 -3.44 116.57 119.48 3hw6 h LYS 104 Ca -0.48 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 3hw6 h LYS 104 Cb 1.18 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3hw6 h LYS 104 CO 0.63 0.88 0.00 1.19 -0.57 0.00 0.00 179.45 181.58 3hw6 n PHE 105 N -3.87 0.00 0.00 -1.35 3.72 -1.26 -5.10 117.46 109.60 3hw6 n PHE 105 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3hw6 n PHE 105 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 3hw6 n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hw6 n LEU 106 N -2.19 0.00 0.00 4.37 4.77 -1.26 -5.11 117.00 117.58 3hw6 n LEU 106 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3hw6 n LEU 106 Cb 0.00 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.23 3hw6 n LEU 106 CO 0.00 0.00 0.39 -0.81 -1.33 0.00 0.00 177.39 175.64 3hw6 n PRO 107 N 0.00 -1.88 -0.13 3.23 -0.04 -1.26 -5.01 135.00 129.91 3hw6 n PRO 107 Ca 0.00 -1.05 -0.18 0.00 -0.04 0.00 0.00 63.50 62.23 3hw6 n PRO 107 Cb 0.00 -0.91 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 3hw6 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hw6 n ASP 108 N -3.94 1.95 -4.20 3.54 8.00 -0.33 -4.46 116.55 117.10 3hw6 n ASP 108 Ca 0.09 -0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 3hw6 n ASP 108 Cb 0.34 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 3hw6 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw6 s LEU 109 N -6.50 1.68 0.12 0.64 1.43 -0.63 -0.22 118.68 115.21 3hw6 s LEU 109 Ca -0.34 -1.27 0.08 0.00 -1.03 0.00 0.00 54.13 51.57 3hw6 s LEU 109 Cb 0.09 0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 3hw6 s LEU 109 CO 0.60 -0.72 -0.20 -0.47 0.23 0.00 0.00 176.35 175.80 3hw6 s TYR 110 N -3.95 1.76 -0.23 0.29 5.04 -0.69 -0.30 117.35 119.27 3hw6 s TYR 110 Ca 0.29 -0.44 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 3hw6 s TYR 110 Cb 0.07 -0.94 0.06 0.00 0.35 0.00 0.00 41.96 41.50 3hw6 s TYR 110 CO 0.06 0.23 -0.07 0.34 -1.34 0.00 0.00 175.55 174.78 3hw6 s ASP 111 N -2.13 3.80 0.24 4.32 3.68 -0.04 -0.89 116.67 125.65 3hw6 s ASP 111 Ca 0.09 -1.13 0.04 0.00 2.13 0.00 0.00 52.55 53.68 3hw6 s ASP 111 Cb -0.09 -1.21 0.26 0.00 -1.45 0.00 0.00 42.92 40.44 3hw6 s ASP 111 CO 0.05 -0.22 1.57 1.88 0.13 0.00 0.00 175.17 178.58 3hw6 h TYR 112 N 7.95 0.31 -0.43 -5.34 0.05 0.18 -0.81 116.97 118.88 3hw6 h TYR 112 Ca -0.20 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 3hw6 h TYR 112 Cb 1.07 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 3hw6 h TYR 112 CO 0.51 0.77 0.18 -0.22 -1.05 0.00 0.00 178.16 178.35 3hw6 h LYS 113 N 0.18 0.63 -0.64 4.88 3.64 -1.96 -3.00 116.57 120.30 3hw6 h LYS 113 Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3hw6 h LYS 113 Cb 1.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3hw6 h LYS 113 CO 0.09 0.58 0.00 0.39 -2.27 0.00 0.00 179.45 178.24 3hw6 n GLU 114 N -4.63 2.65 -4.41 1.90 -0.58 -1.22 -4.97 120.64 109.38 3hw6 n GLU 114 Ca 0.00 -2.55 -0.37 0.00 -0.42 0.00 0.00 57.16 53.82 3hw6 n GLU 114 Cb 0.14 -1.56 -0.08 0.00 -0.57 0.00 0.00 31.44 29.37 3hw6 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hw6 n ASN 115 N 1.62 -0.96 -4.11 1.62 3.02 -0.34 -4.95 115.26 111.15 3hw6 n ASN 115 Ca 0.23 -1.22 -0.12 0.00 -0.03 0.00 0.00 54.58 53.43 3hw6 n ASN 115 Cb 0.62 -1.78 -0.11 0.00 -0.61 0.00 0.00 39.78 37.90 3hw6 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw6 s ARG 116 N -7.23 0.67 0.27 3.52 1.70 -1.04 -4.98 118.95 111.87 3hw6 s ARG 116 Ca 0.51 -1.00 -0.25 0.00 -0.47 0.00 0.00 55.73 54.51 3hw6 s ARG 116 Cb -0.29 -0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 33.69 3hw6 s ARG 116 CO 1.00 0.03 0.88 -0.06 -1.08 0.00 0.00 175.30 176.08 3hw6 s PHE 117 N -2.26 3.76 -0.11 5.89 0.40 -1.26 -0.86 117.98 123.54 3hw6 s PHE 117 Ca -0.01 1.72 0.03 0.00 -0.60 0.00 0.00 56.93 58.07 3hw6 s PHE 117 Cb -0.04 -2.86 0.01 0.00 0.51 0.00 0.00 43.02 40.64 3hw6 s PHE 117 CO -0.01 0.31 -0.21 0.42 0.70 0.00 0.00 175.22 176.42 3hw6 s ILE 118 N -1.48 1.89 -0.41 0.64 1.01 0.59 0.11 121.20 123.55 3hw6 s ILE 118 Ca 0.46 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 3hw6 s ILE 118 Cb -0.20 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.63 3hw6 s ILE 118 CO 0.25 0.52 0.37 -0.70 0.00 0.00 0.00 174.94 175.38 3hw6 s GLU 119 N 0.62 3.06 -0.04 2.79 2.56 0.14 -1.19 118.70 126.65 3hw6 s GLU 119 Ca -0.13 -0.86 -0.12 0.00 0.00 0.00 0.00 54.97 53.86 3hw6 s GLU 119 Cb -0.17 -3.96 -0.05 0.00 2.00 0.00 0.00 34.13 31.95 3hw6 s GLU 119 CO 0.03 -0.78 0.32 0.42 -0.56 0.00 0.00 175.26 174.69 3hw6 s ILE 120 N 1.92 5.18 -0.02 -3.70 -1.09 -1.26 -2.82 121.20 119.41 3hw6 s ILE 120 Ca 0.09 0.64 0.01 0.00 -2.23 0.00 0.00 60.65 59.16 3hw6 s ILE 120 Cb -0.18 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 3hw6 s ILE 120 CO 0.12 0.59 -0.04 -0.83 -1.23 0.00 0.00 174.94 173.55 3hw6 s GLY 121 N -1.02 0.29 -0.17 6.18 0.00 -1.07 -4.98 107.32 106.55 3hw6 s GLY 121 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 3hw6 s GLY 121 CO 0.10 0.16 -0.01 0.14 0.00 0.00 0.00 173.10 173.49 3hw6 s VAL 122 N 0.40 0.83 0.12 1.40 1.01 -1.26 -1.78 120.40 121.13 3hw6 s VAL 122 Ca -0.04 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.44 3hw6 s VAL 122 Cb -0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3hw6 s VAL 122 CO -0.00 -0.03 -0.24 0.28 0.00 0.00 0.00 175.10 175.11 3hw6 s THR 123 N 1.74 2.00 -0.34 3.92 -1.32 -0.52 -4.98 115.64 116.13 3hw6 s THR 123 Ca -0.00 -1.68 0.08 0.00 -1.21 0.00 0.00 61.69 58.88 3hw6 s THR 123 Cb -0.16 -1.80 0.64 0.00 -1.51 0.00 0.00 72.50 69.67 3hw6 s THR 123 CO -0.07 -0.01 1.72 0.54 -2.21 0.00 0.00 174.62 174.59 3hw6 n ARG 124 N 0.93 2.70 0.00 7.08 1.74 -1.26 -3.50 116.66 124.35 3hw6 n ARG 124 Ca -0.18 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 53.83 3hw6 n ARG 124 Cb 0.54 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3hw6 n ARG 124 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hw6 n ARG 125 N -0.76 3.00 -2.42 5.56 1.74 -1.26 -4.88 116.66 117.65 3hw6 n ARG 125 Ca 0.43 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.10 3hw6 n ARG 125 Cb 1.34 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.75 3hw6 n ARG 125 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hw6 s GLU 126 N 2.38 4.49 0.08 5.56 2.56 -1.26 -4.98 118.70 127.53 3hw6 s GLU 126 Ca 0.00 1.80 -0.23 0.00 0.00 0.00 0.00 54.97 56.54 3hw6 s GLU 126 Cb 0.00 -3.29 -0.14 0.00 2.00 0.00 0.00 34.13 32.70 3hw6 s GLU 126 CO 0.00 -0.13 1.70 -0.39 -0.56 0.00 0.00 175.26 175.89 3hw6 h VAL 127 N 4.07 1.05 -0.99 3.70 -1.51 -1.95 -2.54 116.25 118.07 3hw6 h VAL 127 Ca -0.43 -0.13 0.02 0.00 -1.23 0.00 0.00 66.70 64.93 3hw6 h VAL 127 Cb 1.21 1.07 -0.05 0.00 -2.13 0.00 0.00 31.29 31.39 3hw6 h VAL 127 CO 0.77 0.04 0.65 0.45 -1.23 0.00 0.00 177.57 178.25 3hw6 h HIS 128 N 0.00 1.23 0.02 5.19 -0.00 -1.96 0.25 115.15 119.88 3hw6 h HIS 128 Ca 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3hw6 h HIS 128 Cb 0.04 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 27.04 3hw6 h HIS 128 CO -0.06 0.74 -0.01 1.15 -0.00 0.00 0.00 177.93 179.75 3hw6 h THR 129 N 1.30 1.15 -0.72 2.45 2.02 -1.97 -2.70 112.91 114.44 3hw6 h THR 129 Ca 0.38 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3hw6 h THR 129 Cb -0.08 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3hw6 h THR 129 CO -0.10 0.13 0.32 0.22 0.37 0.00 0.00 175.52 176.46 3hw6 h TYR 130 N -0.24 1.06 0.25 3.16 3.20 -0.96 -1.63 116.97 121.80 3hw6 h TYR 130 Ca -0.00 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 3hw6 h TYR 130 Cb 0.23 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3hw6 h TYR 130 CO -0.00 0.80 -0.28 -0.92 -1.64 0.00 0.00 178.16 176.12 3hw6 h TYR 131 N 1.01 -0.77 -0.82 -3.82 3.20 -0.93 -1.00 116.97 113.84 3hw6 h TYR 131 Ca 0.24 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.30 3hw6 h TYR 131 Cb 0.16 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 3hw6 h TYR 131 CO 0.01 -0.36 0.55 -0.07 -1.64 0.00 0.00 178.16 176.65 3hw6 h LEU 132 N -0.53 0.36 -0.79 2.82 3.38 -1.44 0.47 115.31 119.59 3hw6 h LEU 132 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hw6 h LEU 132 Cb 0.47 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3hw6 h LEU 132 CO -0.05 0.17 0.44 -0.33 0.09 0.00 0.00 178.44 178.76 3hw6 h GLU 133 N 0.38 1.10 0.59 1.13 5.08 -0.98 -1.42 114.58 120.45 3hw6 h GLU 133 Ca 0.41 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 3hw6 h GLU 133 Cb 1.03 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.07 3hw6 h GLU 133 CO -0.13 0.81 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.18 3hw6 h LYS 134 N 1.09 -0.76 -0.92 2.33 1.63 0.12 -2.68 116.57 117.39 3hw6 h LYS 134 Ca 0.28 0.05 0.26 0.00 -0.85 0.00 0.00 60.65 60.39 3hw6 h LYS 134 Cb 0.02 0.17 -0.15 0.00 -0.60 0.00 0.00 32.23 31.68 3hw6 h LYS 134 CO -0.05 -0.50 0.30 0.00 -3.45 0.00 0.00 179.45 175.75 3hw6 h ALA 135 N -1.25 1.45 0.00 5.00 0.00 -1.08 -2.63 119.26 120.75 3hw6 h ALA 135 Ca -0.08 0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3hw6 h ALA 135 Cb 0.60 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hw6 h ALA 135 CO 0.13 -0.52 -0.61 -0.91 0.00 0.00 0.00 179.25 177.34 3hw6 h ASN 136 N 0.21 0.00 0.50 0.00 -0.26 -1.26 -3.05 115.58 111.71 3hw6 h ASN 136 Ca 0.61 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.32 3hw6 h ASN 136 Cb 1.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 3hw6 h ASN 136 CO -0.67 0.61 -0.26 0.50 -1.06 0.00 0.00 177.43 176.55 3hw6 h LYS 137 N 0.00 -0.67 -0.00 0.81 3.64 -1.12 -3.36 116.57 115.86 3hw6 h LYS 137 Ca -0.01 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hw6 h LYS 137 Cb 1.28 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3hw6 h LYS 137 CO 0.08 -0.45 -0.01 0.44 -2.27 0.00 0.00 179.45 177.25 3hw6 n ILE 138 N -3.94 0.00 -4.29 2.00 -5.35 -1.06 -4.88 119.36 101.84 3hw6 n ILE 138 Ca -0.09 -0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.02 3hw6 n ILE 138 Cb 0.28 -0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 37.65 3hw6 n ILE 138 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hw6 n LYS 139 N -1.46 -2.61 -1.74 6.28 5.02 -1.16 -4.72 118.16 117.78 3hw6 n LYS 139 Ca 0.08 0.32 -0.39 0.00 -2.02 0.00 0.00 58.31 56.30 3hw6 n LYS 139 Cb 0.32 -4.97 0.04 0.00 -0.02 0.00 0.00 35.03 30.40 3hw6 n LYS 139 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hw6 n SER 140 N -2.63 2.75 -0.01 4.39 3.41 -1.26 -4.90 113.62 115.37 3hw6 n SER 140 Ca 0.07 1.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.66 3hw6 n SER 140 Cb 0.49 -1.58 -0.01 0.00 -0.26 0.00 0.00 64.21 62.85 3hw6 n SER 140 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hw6 n GLU 141 N -0.90 0.05 -0.00 4.33 1.02 -1.26 -4.83 120.64 119.05 3hw6 n GLU 141 Ca 0.10 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 3hw6 n GLU 141 Cb 0.44 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.81 3hw6 n GLU 141 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hw6 n LYS 142 N -2.57 1.31 -2.22 3.49 4.01 -1.26 -4.96 118.16 115.96 3hw6 n LYS 142 Ca -0.03 -0.03 -0.42 0.00 -0.51 0.00 0.00 58.31 57.32 3hw6 n LYS 142 Cb 0.54 -1.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.03 3hw6 n LYS 142 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3hw6 s THR 143 N -2.07 3.59 0.12 -0.18 2.01 -1.26 -4.48 115.64 113.37 3hw6 s THR 143 Ca -0.01 1.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.95 3hw6 s THR 143 Cb 0.02 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 3hw6 s THR 143 CO 0.16 0.04 0.46 -2.28 -0.69 0.00 0.00 174.62 172.30 3hw6 s HIS 144 N 1.82 3.56 -0.25 4.92 2.46 0.12 -4.90 115.29 123.03 3hw6 s HIS 144 Ca 0.64 0.85 0.01 0.00 0.47 0.00 0.00 55.06 57.04 3hw6 s HIS 144 Cb -0.33 -2.22 0.06 0.00 -0.13 0.00 0.00 32.58 29.96 3hw6 s HIS 144 CO 0.28 0.45 -0.06 0.42 -2.47 0.00 0.00 174.74 173.37 3hw6 s ILE 145 N -1.50 1.70 -0.30 0.89 1.01 -1.26 0.26 121.20 122.01 3hw6 s ILE 145 Ca 0.37 -1.38 -0.07 0.00 0.00 0.00 0.00 60.65 59.57 3hw6 s ILE 145 Cb -0.14 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3hw6 s ILE 145 CO 0.19 -0.12 0.08 -2.28 0.00 0.00 0.00 174.94 172.82 3hw6 s HIS 146 N 1.31 3.16 -0.17 3.97 2.46 -1.13 -1.42 115.29 123.47 3hw6 s HIS 146 Ca -0.05 -1.02 -0.06 0.00 0.47 0.00 0.00 55.06 54.40 3hw6 s HIS 146 Cb -0.19 -2.26 -0.03 0.00 -0.13 0.00 0.00 32.58 29.97 3hw6 s HIS 146 CO -0.06 -0.59 0.02 0.42 -2.47 0.00 0.00 174.74 172.06 3hw6 s ILE 147 N 1.49 4.40 0.29 0.89 -1.09 0.37 -2.59 121.20 124.97 3hw6 s ILE 147 Ca 0.02 -0.17 0.11 0.00 -2.23 0.00 0.00 60.65 58.38 3hw6 s ILE 147 Cb -0.17 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 3hw6 s ILE 147 CO 0.03 0.47 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.71 3hw6 s PHE 148 N 0.39 2.40 0.33 3.97 0.40 -0.73 -0.45 117.98 124.29 3hw6 s PHE 148 Ca 0.00 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3hw6 s PHE 148 Cb -0.13 -1.10 -0.01 0.00 0.51 0.00 0.00 43.02 42.28 3hw6 s PHE 148 CO 0.01 0.67 0.11 -1.13 0.70 0.00 0.00 175.22 175.58 3hw6 n SER 149 N -0.72 1.31 -2.87 1.36 3.41 -0.71 -1.43 113.62 113.97 3hw6 n SER 149 Ca -0.05 -2.75 -0.32 0.00 -0.26 0.00 0.00 58.87 55.49 3hw6 n SER 149 Cb 0.60 0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 65.31 3hw6 n SER 149 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hw6 n PHE 150 N -0.76 1.93 -0.73 7.33 3.01 -1.23 -4.11 117.46 122.91 3hw6 n PHE 150 Ca -0.05 -2.28 0.00 0.00 1.01 0.00 0.00 57.45 56.12 3hw6 n PHE 150 Cb 0.49 -1.58 0.00 0.00 -0.01 0.00 0.00 39.48 38.38 3hw6 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw6 n THR 151 N 1.31 0.00 0.00 4.37 -2.24 -1.26 -4.96 114.28 111.50 3hw6 n THR 151 Ca 0.54 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 3hw6 n THR 151 Cb 0.44 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3hw6 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw6 n GLY 152 N 0.00 2.26 2.07 3.38 0.00 -1.26 -5.04 105.19 106.60 3hw6 n GLY 152 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3hw6 n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hw6 n GLU 153 N 0.00 0.00 -4.07 1.61 1.02 -1.26 -4.65 120.64 113.29 3hw6 n GLU 153 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3hw6 n GLU 153 Cb 0.00 -0.88 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 3hw6 n GLU 153 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3hw6 s GLU 154 N 0.26 1.96 -0.30 3.49 -1.05 -1.26 -1.73 118.70 120.07 3hw6 s GLU 154 Ca 0.54 -1.75 -0.15 0.00 -0.15 0.00 0.00 54.97 53.47 3hw6 s GLU 154 Cb -0.76 0.46 0.16 0.00 -0.44 0.00 0.00 34.13 33.54 3hw6 s GLU 154 CO 0.36 -0.82 0.96 1.41 0.95 0.00 0.00 175.26 178.11 3hw6 s MET 155 N -2.95 0.33 -0.05 -4.83 1.75 0.41 -4.99 119.30 108.97 3hw6 s MET 155 Ca 0.29 0.78 0.06 0.00 -1.25 0.00 0.00 55.69 55.58 3hw6 s MET 155 Cb -0.01 0.42 -0.01 0.00 2.84 0.00 0.00 34.83 38.07 3hw6 s MET 155 CO 0.20 -0.11 -0.24 0.00 -0.65 0.00 0.00 175.02 174.23 3hw6 s ALA 156 N 2.30 2.05 -0.26 4.11 0.00 -1.26 0.14 121.76 128.84 3hw6 s ALA 156 Ca -0.04 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 3hw6 s ALA 156 Cb -0.06 -0.62 -0.13 0.00 0.00 0.00 0.00 23.12 22.31 3hw6 s ALA 156 CO -0.17 0.41 0.98 2.41 0.00 0.00 0.00 175.76 179.39 3hw6 n THR 157 N 2.89 0.00 -1.84 0.00 -1.04 -0.51 -1.96 114.28 111.83 3hw6 n THR 157 Ca -0.17 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 3hw6 n THR 157 Cb 0.52 -0.26 -0.05 0.00 -1.82 0.00 0.00 70.33 68.72 3hw6 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw6 n LYS 158 N 2.27 -1.32 -1.73 -2.82 5.02 -1.26 -1.82 118.16 116.50 3hw6 n LYS 158 Ca 0.19 1.03 -0.18 0.00 -2.02 0.00 0.00 58.31 57.33 3hw6 n LYS 158 Cb -0.02 -5.38 -0.06 0.00 -0.02 0.00 0.00 35.03 29.55 3hw6 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw6 n ALA 159 N 0.09 -0.34 -3.17 7.82 0.00 -0.83 -4.94 120.51 119.14 3hw6 n ALA 159 Ca -0.19 0.25 -0.45 0.00 0.00 0.00 0.00 53.44 53.05 3hw6 n ALA 159 Cb 0.62 -1.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 3hw6 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw6 s ASP 160 N -2.65 6.18 0.00 0.00 -1.08 -0.76 -4.90 116.67 113.47 3hw6 s ASP 160 Ca 0.00 -1.59 0.21 0.00 -0.52 0.00 0.00 52.55 50.65 3hw6 s ASP 160 Cb 0.00 -2.24 0.75 0.00 -1.46 0.00 0.00 42.92 39.97 3hw6 s ASP 160 CO 0.00 -0.91 1.55 -1.22 0.52 0.00 0.00 175.17 175.10 3hw6 n TYR 161 N 5.61 0.21 0.00 -5.34 4.02 -1.26 -4.48 117.16 115.92 3hw6 n TYR 161 Ca -0.12 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3hw6 n TYR 161 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 3hw6 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw6 n THR 162 N 0.32 0.00 -3.19 -0.72 -1.04 -1.26 -4.66 114.28 103.73 3hw6 n THR 162 Ca 0.16 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.91 3hw6 n THR 162 Cb 0.33 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.82 3hw6 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw6 s LEU 163 N 0.00 3.94 0.34 -4.42 1.43 -1.26 -5.08 118.68 113.62 3hw6 s LEU 163 Ca 0.00 0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 3hw6 s LEU 163 Cb 0.00 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.60 3hw6 s LEU 163 CO 0.00 -0.33 0.97 1.51 0.23 0.00 0.00 176.35 178.73 3hw6 s ASP 164 N -3.75 7.20 0.46 2.29 1.47 -1.26 -4.76 116.67 118.31 3hw6 s ASP 164 Ca 0.43 1.88 0.34 0.00 1.18 0.00 0.00 52.55 56.39 3hw6 s ASP 164 Cb -0.10 -2.58 1.51 0.00 -0.34 0.00 0.00 42.92 41.41 3hw6 s ASP 164 CO 0.36 -0.17 1.59 -0.33 0.68 0.00 0.00 175.17 177.30 3hw6 h GLU 165 N 2.99 0.02 0.22 2.11 4.39 -1.98 0.56 114.58 122.91 3hw6 h GLU 165 Ca -0.47 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 3hw6 h GLU 165 Cb 1.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3hw6 h GLU 165 CO 0.64 0.02 -0.11 1.49 -1.16 0.00 0.00 179.01 179.89 3hw6 h GLU 166 N 0.03 -0.29 -0.43 2.33 4.81 -1.99 -1.45 114.58 117.59 3hw6 h GLU 166 Ca 0.87 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 60.15 3hw6 h GLU 166 Cb 2.88 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 32.30 3hw6 h GLU 166 CO -0.40 0.02 0.24 1.03 -0.73 0.00 0.00 179.01 179.17 3hw6 h SER 167 N -0.61 0.37 -0.72 1.04 0.87 -0.24 0.78 113.55 115.04 3hw6 h SER 167 Ca -0.03 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3hw6 h SER 167 Cb 0.44 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 3hw6 h SER 167 CO 0.05 0.27 0.33 0.03 -0.53 0.00 0.00 176.83 176.97 3hw6 h ARG 168 N 0.48 1.06 -0.73 2.24 3.08 -1.54 -3.19 114.38 115.78 3hw6 h ARG 168 Ca 0.18 -0.17 0.08 0.00 0.07 0.00 0.00 59.98 60.14 3hw6 h ARG 168 Cb 0.04 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 29.84 3hw6 h ARG 168 CO -0.10 0.85 0.39 0.00 -1.07 0.00 0.00 179.97 180.04 3hw6 h ALA 169 N 1.16 1.01 -0.46 0.04 0.00 0.27 -0.00 119.26 121.28 3hw6 h ALA 169 Ca 0.25 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3hw6 h ALA 169 Cb 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hw6 h ALA 169 CO -0.03 0.03 0.31 0.00 0.00 0.00 0.00 179.25 179.56 3hw6 h ARG 170 N 0.68 0.29 0.17 0.00 3.08 -1.36 0.16 114.38 117.41 3hw6 h ARG 170 Ca 0.35 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3hw6 h ARG 170 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hw6 h ARG 170 CO -0.24 0.19 -0.08 0.82 -1.07 0.00 0.00 179.97 179.60 3hw6 h ILE 171 N 0.30 0.92 -0.82 2.04 2.04 -1.06 -3.02 117.51 117.91 3hw6 h ILE 171 Ca 0.21 -0.99 0.20 0.00 1.00 0.00 0.00 64.86 65.27 3hw6 h ILE 171 Cb 0.43 1.46 -0.12 0.00 -0.74 0.00 0.00 36.82 37.85 3hw6 h ILE 171 CO -0.05 0.21 0.23 0.11 0.00 0.00 0.00 178.15 178.66 3hw6 h LYS 172 N -0.76 0.27 -0.86 2.37 1.57 -0.45 -1.98 116.57 116.73 3hw6 h LYS 172 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hw6 h LYS 172 Cb 0.52 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3hw6 h LYS 172 CO 0.04 0.18 0.55 0.00 -0.57 0.00 0.00 179.45 179.64 3hw6 h THR 173 N 0.27 1.23 0.09 -0.16 1.03 -0.64 -2.97 112.91 111.77 3hw6 h THR 173 Ca 0.49 -0.46 -0.28 0.00 -0.01 0.00 0.00 66.41 66.15 3hw6 h THR 173 Cb 0.91 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 67.96 3hw6 h THR 173 CO -0.57 0.23 -1.35 -0.09 -0.01 0.00 0.00 175.52 173.74 3hw6 h ARG 174 N 1.18 0.19 -0.31 0.00 9.65 -1.24 -1.08 114.38 122.78 3hw6 h ARG 174 Ca 0.31 -0.33 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 3hw6 h ARG 174 Cb -0.09 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 3hw6 h ARG 174 CO -0.06 1.08 -0.07 -0.07 2.80 0.00 0.00 179.97 183.65 3hw6 h LEU 175 N 0.05 -0.28 -0.57 3.80 3.38 -1.47 0.24 115.31 120.47 3hw6 h LEU 175 Ca -0.17 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.01 3hw6 h LEU 175 Cb 1.96 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.80 3hw6 h LEU 175 CO 0.16 -0.10 0.05 -0.26 0.09 0.00 0.00 178.44 178.39 3hw6 h PHE 176 N 0.00 0.07 0.00 1.13 0.05 -1.31 0.41 116.94 117.30 3hw6 h PHE 176 Ca 0.15 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.98 3hw6 h PHE 176 Cb 0.22 0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.23 3hw6 h PHE 176 CO -0.29 -0.09 0.00 2.41 -0.18 0.00 0.00 178.31 180.16 3hw6 n THR 177 N -5.20 0.87 0.00 -1.55 -1.04 -0.44 -2.38 114.28 104.54 3hw6 n THR 177 Ca 0.08 0.37 -0.20 0.00 -2.04 0.00 0.00 64.05 62.25 3hw6 n THR 177 Cb 0.31 -1.32 -0.14 0.00 -1.82 0.00 0.00 70.33 67.36 3hw6 n THR 177 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hw6 h ILE 178 N 0.00 1.32 -0.15 12.58 2.04 0.31 -3.31 117.51 130.31 3hw6 h ILE 178 Ca 0.00 -2.42 0.05 0.00 1.00 0.00 0.00 64.86 63.48 3hw6 h ILE 178 Cb 0.27 2.96 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 3hw6 h ILE 178 CO 0.00 0.66 -0.17 -0.09 0.00 0.00 0.00 178.15 178.55 3hw6 h ARG 179 N -0.51 -0.19 0.00 2.37 2.43 -0.75 -1.19 114.38 116.54 3hw6 h ARG 179 Ca -0.20 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 3hw6 h ARG 179 Cb 1.55 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.13 3hw6 h ARG 179 CO 0.06 -0.13 -0.57 -0.56 -1.51 0.00 0.00 179.97 177.26 3hw6 h GLN 180 N -0.20 0.00 -0.02 0.20 3.07 -1.67 0.12 115.11 116.62 3hw6 h GLN 180 Ca 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.63 3hw6 h GLN 180 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 3hw6 h GLN 180 CO -0.27 0.57 -0.90 1.49 0.09 0.00 0.00 178.83 179.81 3hw6 h GLU 181 N 0.00 0.40 0.42 0.06 4.57 -1.58 0.37 114.58 118.81 3hw6 h GLU 181 Ca -0.01 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 3hw6 h GLU 181 Cb 1.03 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 3hw6 h GLU 181 CO 0.07 1.07 -0.38 0.52 -1.18 0.00 0.00 179.01 179.12 3hw6 h MET 182 N 0.23 -0.77 -1.00 1.92 2.86 -0.98 -3.17 114.93 114.01 3hw6 h MET 182 Ca -0.07 0.05 0.22 0.00 -2.06 0.00 0.00 59.70 57.85 3hw6 h MET 182 Cb 1.52 0.18 -0.12 0.00 0.06 0.00 0.00 31.60 33.24 3hw6 h MET 182 CO 0.15 -0.52 0.60 0.00 1.06 0.00 0.00 176.91 178.21 3hw6 h ALA 183 N -0.40 1.74 0.00 6.32 0.00 -0.13 0.11 119.26 126.89 3hw6 h ALA 183 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hw6 h ALA 183 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hw6 h ALA 183 CO -0.04 -0.17 0.21 0.43 0.00 0.00 0.00 179.25 179.67 3hw6 n SER 184 N -4.84 0.24 0.00 0.00 7.64 0.12 -1.60 113.62 115.18 3hw6 n SER 184 Ca 0.25 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.63 3hw6 n SER 184 Cb 0.67 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3hw6 n SER 184 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hw6 n ARG 185 N -1.80 1.34 -1.02 1.43 1.74 0.30 -4.98 116.66 113.67 3hw6 n ARG 185 Ca -0.01 -0.94 -0.01 0.00 -0.77 0.00 0.00 57.85 56.13 3hw6 n ARG 185 Cb 0.22 -0.75 -0.00 0.00 -1.02 0.00 0.00 32.46 30.90 3hw6 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw6 n GLY 186 N -0.23 0.45 0.08 -0.13 0.00 -0.63 -0.13 105.19 104.60 3hw6 n GLY 186 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 3hw6 n GLY 186 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hw6 h LEU 187 N 0.00 0.02 -0.45 0.99 4.07 -1.56 -3.39 115.31 114.99 3hw6 h LEU 187 Ca -0.01 -0.04 0.08 0.00 0.08 0.00 0.00 57.88 57.99 3hw6 h LEU 187 Cb 0.21 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 41.88 3hw6 h LEU 187 CO 0.02 1.03 0.05 -0.25 -1.08 0.00 0.00 178.44 178.21 3hw6 h TRP 188 N 0.00 0.06 -0.20 1.13 2.91 -1.82 -2.96 115.95 115.08 3hw6 h TRP 188 Ca -0.28 0.03 0.03 0.00 1.13 0.00 0.00 58.89 59.81 3hw6 h TRP 188 Cb 2.00 0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 30.63 3hw6 h TRP 188 CO 0.00 -0.05 -0.54 0.22 -1.03 0.00 0.00 178.44 177.05 3hw6 h ASP 189 N 0.17 -1.74 0.27 2.65 1.82 -1.92 -1.24 116.42 116.42 3hw6 h ASP 189 Ca 0.22 0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 57.06 3hw6 h ASP 189 Cb 0.31 0.69 0.00 0.00 0.68 0.00 0.00 39.33 41.01 3hw6 h ASP 189 CO -0.33 -0.46 -0.13 -1.28 -1.61 0.00 0.00 179.24 175.43 3hw6 h SER 190 N -0.53 -0.31 -0.66 2.28 0.87 -1.82 -2.85 113.55 110.54 3hw6 h SER 190 Ca 0.04 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3hw6 h SER 190 Cb 0.65 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 3hw6 h SER 190 CO -0.47 -0.20 -0.39 0.33 -0.53 0.00 0.00 176.83 175.57 3hw6 n PHE 191 N -5.24 -0.29 -0.29 2.24 7.35 -1.06 -1.46 117.46 118.71 3hw6 n PHE 191 Ca -0.10 0.83 0.27 0.00 -0.76 0.00 0.00 57.45 57.70 3hw6 n PHE 191 Cb 0.17 -0.55 0.50 0.00 0.35 0.00 0.00 39.48 39.96 3hw6 n PHE 191 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3hw6 n ARG 192 N -4.50 -0.06 -0.07 -4.13 0.63 -0.49 -1.88 116.66 106.16 3hw6 n ARG 192 Ca 0.01 1.25 0.09 0.00 -0.92 0.00 0.00 57.85 58.28 3hw6 n ARG 192 Cb 0.17 -2.22 0.12 0.00 0.45 0.00 0.00 32.46 30.99 3hw6 n ARG 192 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3hw6 n GLN 193 N -5.05 1.91 -0.24 -0.14 6.02 -0.54 -4.59 117.38 114.76 3hw6 n GLN 193 Ca 0.33 -1.82 0.07 0.00 -0.01 0.00 0.00 57.00 55.56 3hw6 n GLN 193 Cb 1.11 -1.38 0.19 0.00 1.02 0.00 0.00 30.24 31.18 3hw6 n GLN 193 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hw6 n SER 194 N 1.10 3.20 -4.78 1.08 3.41 -0.79 -4.98 113.62 111.86 3hw6 n SER 194 Ca 0.13 -2.07 -0.38 0.00 -0.26 0.00 0.00 58.87 56.29 3hw6 n SER 194 Cb 0.49 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3hw6 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw6 s GLU 195 N -1.12 4.56 0.00 4.33 2.12 -1.26 -5.02 118.70 122.31 3hw6 s GLU 195 Ca 0.29 1.21 0.00 0.00 0.36 0.00 0.00 54.97 56.83 3hw6 s GLU 195 Cb 0.16 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.51 3hw6 s GLU 195 CO 0.18 0.43 0.00 2.89 -0.54 0.00 0.00 175.26 178.23 3hw6 n ARG 196 N 1.07 0.62 0.00 4.30 1.85 -1.26 -5.11 116.66 118.12 3hw6 n ARG 196 Ca -0.02 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.94 3hw6 n ARG 196 Cb 0.49 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 31.99 3hw6 n ARG 196 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03