#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 -2.97 3.58 -0.72 0.00 -1.03 -5.06 105.19 98.99 3hw6 n GLY -1 Ca 0.00 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.90 6.20 0.03 1.61 0.15 -1.26 -4.93 113.70 111.59 3hw6 s SER 0 Ca 0.62 0.05 -0.26 0.00 0.70 0.00 0.00 55.95 57.07 3hw6 s SER 0 Cb -0.07 -2.20 -0.17 0.00 -1.71 0.00 0.00 66.02 61.87 3hw6 s SER 0 CO 0.49 -0.23 1.40 -0.03 1.20 0.00 0.00 173.24 176.06 3hw6 h MET 1 N 8.31 -0.30 -0.64 5.44 4.05 -1.97 -2.18 114.93 127.64 3hw6 h MET 1 Ca -0.31 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.25 3hw6 h MET 1 Cb 1.16 0.07 -0.12 0.00 -0.80 0.00 0.00 31.60 31.90 3hw6 h MET 1 CO 0.65 -0.02 -0.28 1.49 0.23 0.00 0.00 176.91 178.98 3hw6 h GLU 2 N -0.56 -0.10 -0.91 0.39 4.81 -1.90 0.52 114.58 116.84 3hw6 h GLU 2 Ca -0.03 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3hw6 h GLU 2 Cb 0.41 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 3hw6 h GLU 2 CO 0.05 -0.06 0.58 -0.44 -0.73 0.00 0.00 179.01 178.41 3hw6 h ASP 3 N -0.10 0.83 -0.34 1.04 5.19 -1.96 0.17 116.42 121.25 3hw6 h ASP 3 Ca 0.27 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.65 3hw6 h ASP 3 Cb 0.54 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 3hw6 h ASP 3 CO -0.70 0.49 0.05 0.15 -3.12 0.00 0.00 179.24 176.11 3hw6 h PHE 4 N 0.92 0.68 -0.09 4.55 3.57 -0.26 0.43 116.94 126.75 3hw6 h PHE 4 Ca 0.42 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.70 3hw6 h PHE 4 Cb 0.38 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.93 3hw6 h PHE 4 CO -0.00 0.62 -0.51 0.28 -2.23 0.00 0.00 178.31 176.47 3hw6 h VAL 5 N 0.63 1.38 -0.57 1.41 2.07 0.02 2.15 116.25 123.34 3hw6 h VAL 5 Ca 0.14 -1.86 -0.07 0.00 0.82 0.00 0.00 66.70 65.73 3hw6 h VAL 5 Cb 0.32 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3hw6 h VAL 5 CO 0.01 0.56 0.08 0.03 0.02 0.00 0.00 177.57 178.26 3hw6 h ARG 6 N 0.08 0.93 0.16 1.57 2.47 -1.27 -1.16 114.38 117.16 3hw6 h ARG 6 Ca -0.04 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 3hw6 h ARG 6 Cb 1.17 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 3hw6 h ARG 6 CO 0.11 0.87 -0.08 1.96 0.56 0.00 0.00 179.97 183.39 3hw6 h GLN 7 N 0.88 -0.21 0.03 0.04 4.20 0.11 -3.40 115.11 116.77 3hw6 h GLN 7 Ca 0.18 0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.55 3hw6 h GLN 7 Cb 0.41 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 3hw6 h GLN 7 CO 0.01 -0.07 -1.98 0.00 -0.67 0.00 0.00 178.83 176.12 3hw6 s PHE 9 N -2.48 3.55 0.25 0.00 0.40 -0.46 -5.06 117.98 114.19 3hw6 s PHE 9 Ca -0.31 0.86 -0.30 0.00 -0.60 0.00 0.00 56.93 56.59 3hw6 s PHE 9 Cb 0.09 -2.34 -0.09 0.00 0.51 0.00 0.00 43.02 41.19 3hw6 s PHE 9 CO 0.62 -0.27 1.19 1.21 0.70 0.00 0.00 175.22 178.66 3hw6 s ASN 10 N -3.98 7.09 0.53 1.36 2.47 -1.26 -4.79 114.94 116.37 3hw6 s ASN 10 Ca 0.48 2.34 0.22 0.00 0.42 0.00 0.00 52.86 56.32 3hw6 s ASN 10 Cb -0.10 -2.62 1.44 0.00 -1.45 0.00 0.00 41.25 38.52 3hw6 s ASN 10 CO 0.43 -0.32 2.15 -0.65 -3.72 0.00 0.00 177.10 175.00 3hw6 h PRO 11 N 4.38 0.00 -0.10 0.43 0.11 -1.96 0.26 132.00 135.12 3hw6 h PRO 11 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3hw6 h PRO 11 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hw6 h PRO 11 CO 0.70 0.04 0.01 1.98 -0.21 0.00 0.00 178.00 180.52 3hw6 h MET 12 N 0.00 0.17 0.36 1.05 4.05 -1.99 -1.61 114.93 116.96 3hw6 h MET 12 Ca -0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3hw6 h MET 12 Cb 0.09 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 3hw6 h MET 12 CO 0.01 0.39 -0.34 0.82 0.23 0.00 0.00 176.91 178.02 3hw6 h ILE 13 N -0.08 0.31 -0.83 1.77 2.04 -0.92 -1.77 117.51 118.02 3hw6 h ILE 13 Ca 0.03 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.08 3hw6 h ILE 13 Cb 0.31 0.31 -0.15 0.00 -0.74 0.00 0.00 36.82 36.54 3hw6 h ILE 13 CO 0.00 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.69 3hw6 h VAL 14 N -0.71 0.22 -0.49 1.67 2.07 -1.20 -0.44 116.25 117.36 3hw6 h VAL 14 Ca -0.02 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 3hw6 h VAL 14 Cb 0.64 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3hw6 h VAL 14 CO -0.05 0.01 -0.02 -0.08 0.02 0.00 0.00 177.57 177.46 3hw6 h GLU 15 N 0.06 0.84 0.00 1.57 4.81 -0.74 -0.12 114.58 121.00 3hw6 h GLU 15 Ca 0.46 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3hw6 h GLU 15 Cb 0.82 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3hw6 h GLU 15 CO -0.78 0.85 -0.34 -0.07 -0.73 0.00 0.00 179.01 177.94 3hw6 h LEU 16 N 0.77 0.00 0.07 1.64 3.38 -0.28 -2.69 115.31 118.21 3hw6 h LEU 16 Ca 0.15 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.81 3hw6 h LEU 16 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3hw6 h LEU 16 CO 0.02 0.34 -1.64 0.00 0.09 0.00 0.00 178.44 177.26 3hw6 h ALA 17 N 1.66 0.47 0.71 1.53 0.00 0.14 -2.55 119.26 121.21 3hw6 h ALA 17 Ca -0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 54.91 53.61 3hw6 h ALA 17 Cb 0.73 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hw6 h ALA 17 CO 0.04 1.32 -0.44 0.93 0.00 0.00 0.00 179.25 181.11 3hw6 h GLU 18 N 0.04 -1.04 -1.34 0.00 5.08 -1.04 -2.50 114.58 113.77 3hw6 h GLU 18 Ca -0.27 0.07 0.39 0.00 -1.00 0.00 0.00 59.36 58.55 3hw6 h GLU 18 Cb 2.00 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 31.42 3hw6 h GLU 18 CO 0.12 -0.69 0.94 0.87 -1.00 0.00 0.00 179.01 179.25 3hw6 h LYS 19 N -1.08 0.06 0.00 2.33 1.79 -1.46 0.38 116.57 118.60 3hw6 h LYS 19 Ca -0.09 -0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.20 3hw6 h LYS 19 Cb 0.87 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.48 3hw6 h LYS 19 CO 0.09 0.04 -0.84 0.00 -1.08 0.00 0.00 179.45 177.66 3hw6 h ALA 20 N 1.38 0.61 0.05 3.86 0.00 -1.04 -2.82 119.26 121.30 3hw6 h ALA 20 Ca 0.67 -0.76 -0.31 0.00 0.00 0.00 0.00 54.91 54.52 3hw6 h ALA 20 Cb 2.50 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 20.13 3hw6 h ALA 20 CO -0.09 1.03 -1.70 -1.33 0.00 0.00 0.00 179.25 177.15 3hw6 n MET 21 N -3.56 0.65 0.12 0.00 2.81 0.11 -3.73 117.12 113.52 3hw6 n MET 21 Ca -0.01 0.41 0.05 0.00 -1.81 0.00 0.00 57.70 56.35 3hw6 n MET 21 Cb 0.80 -1.70 0.29 0.00 -0.71 0.00 0.00 33.22 31.90 3hw6 n MET 21 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hw6 n LYS 22 N -4.00 0.07 0.01 0.03 5.02 0.16 0.38 118.16 119.84 3hw6 n LYS 22 Ca -0.34 0.51 -0.05 0.00 -2.02 0.00 0.00 58.31 56.41 3hw6 n LYS 22 Cb 0.85 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3hw6 n LYS 22 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3hw6 h GLU 23 N 0.00 -0.13 -0.01 1.97 4.81 -1.58 -3.33 114.58 116.32 3hw6 h GLU 23 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hw6 h GLU 23 Cb 0.42 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hw6 h GLU 23 CO 0.00 0.09 0.00 0.66 -0.73 0.00 0.00 179.01 179.03 3hw6 n TYR 24 N -4.85 0.01 0.00 0.92 4.02 -0.39 -4.93 117.16 111.94 3hw6 n TYR 24 Ca -0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 3hw6 n TYR 24 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.86 0.57 3.83 2.72 0.00 0.16 -5.06 105.19 108.27 3hw6 n GLY 25 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.99 3.44 -0.17 1.61 8.01 -1.08 -4.90 118.70 124.63 3hw6 s GLU 26 Ca 0.00 1.01 -0.06 0.00 0.01 0.00 0.00 54.97 55.93 3hw6 s GLU 26 Cb 0.00 -2.06 -0.03 0.00 -4.31 0.00 0.00 34.13 27.73 3hw6 s GLU 26 CO 0.00 -0.70 0.02 0.34 0.01 0.00 0.00 175.26 174.93 3hw6 s ASP 27 N -3.32 5.23 0.35 -0.19 3.68 -1.26 -3.53 116.67 117.63 3hw6 s ASP 27 Ca 0.60 -0.03 0.13 0.00 2.13 0.00 0.00 52.55 55.38 3hw6 s ASP 27 Cb -0.13 -1.88 0.96 0.00 -1.45 0.00 0.00 42.92 40.42 3hw6 s ASP 27 CO 0.42 0.16 1.75 -0.65 0.13 0.00 0.00 175.17 176.99 3hw6 h PRO 28 N 6.75 0.51 0.00 4.34 0.11 -1.96 0.14 132.00 141.90 3hw6 h PRO 28 Ca -0.34 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 3hw6 h PRO 28 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3hw6 h PRO 28 CO 0.66 0.34 -0.49 0.87 -0.21 0.00 0.00 178.00 179.18 3hw6 h LYS 29 N 0.53 0.00 0.00 1.05 1.57 -1.99 -2.96 116.57 114.77 3hw6 h LYS 29 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 3hw6 h LYS 29 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3hw6 h LYS 29 CO -0.39 0.49 -0.08 0.82 -0.57 0.00 0.00 179.45 179.72 3hw6 h ILE 30 N 0.00 0.00 -2.16 1.86 5.03 -1.83 -3.40 117.51 117.01 3hw6 h ILE 30 Ca -0.00 -0.76 -0.73 0.00 -0.12 0.00 0.00 64.86 63.24 3hw6 h ILE 30 Cb 0.91 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.53 3hw6 h ILE 30 CO 0.06 0.00 1.35 -1.61 -0.68 0.00 0.00 178.15 177.27 3hw6 s GLU 31 N -1.52 4.07 0.00 2.37 0.41 0.44 -4.75 118.70 119.72 3hw6 s GLU 31 Ca -0.02 -2.54 -0.01 0.00 -0.41 0.00 0.00 54.97 51.99 3hw6 s GLU 31 Cb 0.00 -5.07 -0.27 0.00 -1.78 0.00 0.00 34.13 27.02 3hw6 s GLU 31 CO 0.03 -1.78 0.85 1.79 -0.49 0.00 0.00 175.26 175.67 3hw6 h THR 32 N 4.73 1.14 0.07 3.63 1.35 -1.75 -2.24 112.91 119.85 3hw6 h THR 32 Ca 0.31 -2.82 -0.00 0.00 -0.55 0.00 0.00 66.41 63.35 3hw6 h THR 32 Cb 0.88 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 3hw6 h THR 32 CO 1.24 0.80 -0.03 0.78 -0.25 0.00 0.00 175.52 178.06 3hw6 h ASN 33 N 0.06 -0.08 -0.17 5.36 2.35 -1.89 0.37 115.58 121.58 3hw6 h ASN 33 Ca -0.24 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.25 3hw6 h ASN 33 Cb 2.00 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 40.37 3hw6 h ASN 33 CO 0.15 0.14 -0.14 0.07 -1.65 0.00 0.00 177.43 176.01 3hw6 h LYS 34 N -0.31 0.56 -0.48 0.81 2.10 -1.93 -2.01 116.57 115.31 3hw6 h LYS 34 Ca -0.01 -0.17 0.08 0.00 -2.00 0.00 0.00 60.65 58.55 3hw6 h LYS 34 Cb 0.26 -0.05 -0.10 0.00 -0.90 0.00 0.00 32.23 31.44 3hw6 h LYS 34 CO 0.02 0.68 -0.39 0.35 -2.00 0.00 0.00 179.45 178.11 3hw6 h PHE 35 N 0.51 -1.11 -0.68 0.07 -0.00 -1.30 0.34 116.94 114.77 3hw6 h PHE 35 Ca 0.09 0.07 0.06 0.00 -0.00 0.00 0.00 57.97 58.19 3hw6 h PHE 35 Cb 0.54 0.56 -0.06 0.00 -0.00 0.00 0.00 35.95 36.99 3hw6 h PHE 35 CO 0.02 -0.41 0.38 0.00 -0.00 0.00 0.00 178.31 178.29 3hw6 h ALA 36 N 0.65 0.91 -0.37 2.41 0.00 -0.70 -1.95 119.26 120.21 3hw6 h ALA 36 Ca 0.17 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3hw6 h ALA 36 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hw6 h ALA 36 CO -0.61 0.05 -0.18 0.00 0.00 0.00 0.00 179.25 178.51 3hw6 h ALA 37 N 1.36 0.99 -0.17 0.00 0.00 -0.74 -2.80 119.26 117.90 3hw6 h ALA 37 Ca 0.31 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hw6 h ALA 37 Cb 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hw6 h ALA 37 CO -0.19 0.60 -0.15 0.82 0.00 0.00 0.00 179.25 180.33 3hw6 h ILE 38 N 0.62 1.33 -0.85 0.00 2.04 -0.58 -1.11 117.51 118.97 3hw6 h ILE 38 Ca 0.10 -1.29 0.07 0.00 1.00 0.00 0.00 64.86 64.74 3hw6 h ILE 38 Cb 0.65 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 3hw6 h ILE 38 CO 0.05 0.38 0.52 0.00 0.00 0.00 0.00 178.15 179.10 3hw6 h THR 40 N 0.94 0.00 -0.85 0.00 2.02 -1.36 -0.25 112.91 113.41 3hw6 h THR 40 Ca 0.38 -0.14 0.25 0.00 0.77 0.00 0.00 66.41 67.67 3hw6 h THR 40 Cb 0.20 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 3hw6 h THR 40 CO -0.18 0.00 0.88 -0.74 0.37 0.00 0.00 175.52 175.85 3hw6 h HIS 41 N -1.01 0.00 0.00 3.16 6.17 -1.12 0.66 115.15 123.01 3hw6 h HIS 41 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.99 3hw6 h HIS 41 Cb 0.67 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.60 3hw6 h HIS 41 CO 0.04 0.00 -1.00 -0.11 0.71 0.00 0.00 177.93 177.57 3hw6 n LEU 42 N -3.55 0.75 -0.00 0.26 7.94 -0.90 -2.86 117.00 118.63 3hw6 n LEU 42 Ca 0.18 0.25 -0.20 0.00 -1.11 0.00 0.00 56.01 55.14 3hw6 n LEU 42 Cb 1.16 -0.08 -0.14 0.00 0.53 0.00 0.00 43.42 44.90 3hw6 n LEU 42 CO 0.28 -0.13 -0.10 -0.08 -1.11 0.00 0.00 177.39 176.25 3hw6 h GLU 43 N 0.00 0.20 -0.27 1.96 4.81 0.21 -3.29 114.58 118.21 3hw6 h GLU 43 Ca 0.00 -0.34 0.06 0.00 -0.13 0.00 0.00 59.36 58.96 3hw6 h GLU 43 Cb 0.93 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.36 3hw6 h GLU 43 CO 0.00 1.16 -0.31 0.28 -0.73 0.00 0.00 179.01 179.41 3hw6 h VAL 44 N -0.53 0.28 -0.30 0.32 2.07 -1.43 0.19 116.25 116.85 3hw6 h VAL 44 Ca -0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3hw6 h VAL 44 Cb 1.53 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3hw6 h VAL 44 CO 0.06 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 177.13 3hw6 h PHE 46 N -0.42 0.61 -0.36 0.00 0.04 -1.58 -2.44 116.94 112.80 3hw6 h PHE 46 Ca 0.05 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.68 3hw6 h PHE 46 Cb 0.58 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3hw6 h PHE 46 CO -0.67 0.48 -0.29 0.52 -0.60 0.00 0.00 178.31 177.75 3hw6 h MET 47 N 0.61 0.75 0.00 1.51 2.86 0.73 -2.89 114.93 118.50 3hw6 h MET 47 Ca 0.15 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3hw6 h MET 47 Cb 0.13 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3hw6 h MET 47 CO -0.01 0.95 0.00 0.98 1.06 0.00 0.00 176.91 179.88 3hw6 n TYR 48 N -4.08 0.00 -4.28 -0.22 4.19 0.36 -5.07 117.16 108.05 3hw6 n TYR 48 Ca -0.01 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 60.97 3hw6 n TYR 48 Cb 0.47 -0.18 -0.07 0.00 0.49 0.00 0.00 39.34 40.05 3hw6 n TYR 48 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 3hw6 s SER 49 N -2.37 4.51 0.00 2.98 1.04 -1.10 -5.05 113.70 113.72 3hw6 s SER 49 Ca 0.15 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3hw6 s SER 49 Cb 0.09 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.42 3hw6 s SER 49 CO 0.18 -0.06 0.00 -1.14 0.98 0.00 0.00 173.24 173.20 3hw6 n ARG 75 N -0.93 0.00 -4.23 4.02 0.63 -1.26 -5.00 116.66 109.89 3hw6 n ARG 75 Ca -0.06 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.73 3hw6 n ARG 75 Cb 0.60 -2.87 -0.10 0.00 0.45 0.00 0.00 32.46 30.54 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 -1.42 1.23 -0.15 -0.14 0.40 -1.25 -0.45 117.98 116.21 3hw6 s PHE 76 Ca 0.00 -0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 55.58 3hw6 s PHE 76 Cb 0.00 -0.64 -0.02 0.00 0.51 0.00 0.00 43.02 42.88 3hw6 s PHE 76 CO 0.00 0.07 -0.10 -2.00 0.70 0.00 0.00 175.22 173.89 3hw6 s GLU 77 N -3.50 3.45 -0.01 0.44 2.56 0.03 -4.92 118.70 116.75 3hw6 s GLU 77 Ca 0.14 -0.64 -0.30 0.00 0.00 0.00 0.00 54.97 54.17 3hw6 s GLU 77 Cb 0.01 -2.76 -0.04 0.00 2.00 0.00 0.00 34.13 33.35 3hw6 s GLU 77 CO 0.00 0.15 1.11 0.42 -0.56 0.00 0.00 175.26 176.38 3hw6 s ILE 78 N 0.55 4.44 -0.16 -3.70 -1.09 -1.26 -1.07 121.20 118.91 3hw6 s ILE 78 Ca -0.06 1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 60.09 3hw6 s ILE 78 Cb -0.15 -4.12 -0.10 0.00 -1.58 0.00 0.00 42.46 36.51 3hw6 s ILE 78 CO 0.03 0.08 -0.16 -0.38 -1.23 0.00 0.00 174.94 173.28 3hw6 n ILE 79 N 4.18 0.92 -1.49 2.92 2.08 0.15 -4.92 119.36 123.21 3hw6 n ILE 79 Ca 0.09 -0.32 -0.32 0.00 0.56 0.00 0.00 62.75 62.75 3hw6 n ILE 79 Cb 0.48 -1.23 0.07 0.00 -0.75 0.00 0.00 39.64 38.22 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 -2.32 2.43 0.00 0.38 2.56 -0.97 -2.94 118.70 117.84 3hw6 s GLU 80 Ca -0.22 1.38 0.00 0.00 0.00 0.00 0.00 54.97 56.13 3hw6 s GLU 80 Cb 0.06 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.29 3hw6 s GLU 80 CO 0.35 -1.54 0.00 0.41 -0.56 0.00 0.00 175.26 173.92 3hw6 n GLY 81 N -0.57 2.94 3.93 -1.50 0.00 -1.26 -5.04 105.19 103.68 3hw6 n GLY 81 Ca 0.10 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 3.52 0.56 1.61 0.52 -1.15 -5.04 118.95 118.97 3hw6 s ARG 82 Ca 0.00 -0.25 -0.20 0.00 -0.52 0.00 0.00 55.73 54.77 3hw6 s ARG 82 Cb 0.00 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 3hw6 s ARG 82 CO 0.00 0.16 1.18 -0.51 0.02 0.00 0.00 175.30 176.15 3hw6 s ASP 83 N -3.82 5.48 0.53 0.23 1.11 -1.26 -4.74 116.67 114.20 3hw6 s ASP 83 Ca 0.41 2.32 0.18 0.00 0.18 0.00 0.00 52.55 55.64 3hw6 s ASP 83 Cb -0.10 -2.59 1.35 0.00 1.07 0.00 0.00 42.92 42.65 3hw6 s ASP 83 CO 0.35 -1.39 2.16 0.03 1.18 0.00 0.00 175.17 177.50 3hw6 h ARG 84 N 1.14 0.00 0.38 8.23 3.08 -1.97 0.22 114.38 125.46 3hw6 h ARG 84 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 3hw6 h ARG 84 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3hw6 h ARG 84 CO 0.56 0.00 -0.18 1.15 -1.07 0.00 0.00 179.97 180.43 3hw6 h THR 85 N 0.00 0.00 -0.95 2.04 2.02 -1.98 -0.82 112.91 113.22 3hw6 h THR 85 Ca -0.00 -0.50 0.17 0.00 0.77 0.00 0.00 66.41 66.86 3hw6 h THR 85 Cb 0.01 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.25 3hw6 h THR 85 CO 0.00 0.00 -0.29 0.80 0.37 0.00 0.00 175.52 176.40 3hw6 n MET 86 N -4.77 -0.14 -0.23 6.66 0.00 -0.99 -0.21 117.12 117.43 3hw6 n MET 86 Ca -0.06 1.47 -0.08 0.00 -0.00 0.00 0.00 57.70 59.03 3hw6 n MET 86 Cb 0.20 -2.19 0.04 0.00 0.00 0.00 0.00 33.22 31.27 3hw6 n MET 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hw6 h ALA 87 N 1.66 0.87 -0.05 -5.12 0.00 -0.60 -1.30 119.26 114.71 3hw6 h ALA 87 Ca 0.40 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3hw6 h ALA 87 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hw6 h ALA 87 CO -0.96 0.61 -0.84 -1.49 0.00 0.00 0.00 179.25 176.57 3hw6 h TRP 88 N 0.99 0.66 -0.42 0.00 4.06 0.03 -1.67 115.95 119.60 3hw6 h TRP 88 Ca 0.20 -0.32 -0.04 0.00 2.06 0.00 0.00 58.89 60.78 3hw6 h TRP 88 Cb 0.41 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3hw6 h TRP 88 CO 0.03 1.12 0.08 1.79 -3.56 0.00 0.00 178.44 177.90 3hw6 h THR 89 N 0.29 1.20 -0.07 1.49 1.35 -0.16 -1.33 112.91 115.68 3hw6 h THR 89 Ca -0.06 -0.73 -0.21 0.00 -0.55 0.00 0.00 66.41 64.87 3hw6 h THR 89 Cb 1.45 0.80 0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3hw6 h THR 89 CO 0.15 0.26 -0.77 1.62 -0.25 0.00 0.00 175.52 176.53 3hw6 h VAL 90 N 0.61 1.32 -0.99 6.82 3.04 -1.06 -2.13 116.25 123.86 3hw6 h VAL 90 Ca 0.14 -2.04 0.19 0.00 -1.01 0.00 0.00 66.70 63.97 3hw6 h VAL 90 Cb 0.27 2.26 -0.10 0.00 -2.01 0.00 0.00 31.29 31.72 3hw6 h VAL 90 CO 0.00 0.63 0.61 0.58 -1.01 0.00 0.00 177.57 178.38 3hw6 h VAL 91 N 0.29 0.71 0.17 1.51 2.07 -1.12 -3.17 116.25 116.70 3hw6 h VAL 91 Ca -0.08 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3hw6 h VAL 91 Cb 1.42 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3hw6 h VAL 91 CO 0.15 0.13 -0.08 0.78 0.02 0.00 0.00 177.57 178.58 3hw6 h ASN 92 N 0.73 -0.19 0.00 0.57 4.21 -1.10 -2.88 115.58 116.93 3hw6 h ASN 92 Ca 0.56 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.72 3hw6 h ASN 92 Cb 0.92 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.16 3hw6 h ASN 92 CO -0.35 0.34 0.00 -1.54 -1.29 0.00 0.00 177.43 174.60 3hw6 n SER 93 N -4.94 0.00 -0.02 5.81 3.41 -0.82 -1.19 113.62 115.88 3hw6 n SER 93 Ca -0.08 -0.04 -0.02 0.00 -0.26 0.00 0.00 58.87 58.47 3hw6 n SER 93 Cb 0.27 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3hw6 n SER 93 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hw6 n ILE 94 N -0.55 0.21 0.94 -1.33 5.41 -1.20 -3.47 119.36 119.36 3hw6 n ILE 94 Ca 0.00 -0.12 0.08 0.00 1.00 0.00 0.00 62.75 63.72 3hw6 n ILE 94 Cb 0.00 -0.85 0.46 0.00 -0.71 0.00 0.00 39.64 38.54 3hw6 n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hw6 n ASN 96 N -1.11 3.82 0.00 0.00 2.04 -1.13 -3.07 115.26 115.80 3hw6 n ASN 96 Ca 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.25 3hw6 n ASN 96 Cb 0.09 0.35 0.00 0.00 -2.53 0.00 0.00 39.78 37.69 3hw6 n ASN 96 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 3hw6 n THR 97 N -1.72 0.00 -1.83 5.53 -1.04 -1.23 -4.64 114.28 109.36 3hw6 n THR 97 Ca 0.00 0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.86 3hw6 n THR 97 Cb 0.39 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 3hw6 n THR 97 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hw6 s THR 98 N 0.00 2.10 -0.05 12.58 -4.23 -1.14 -4.84 115.64 120.06 3hw6 s THR 98 Ca 0.00 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 3hw6 s THR 98 Cb 0.00 -3.06 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 3hw6 s THR 98 CO 0.00 0.02 2.46 0.61 -0.54 0.00 0.00 174.62 177.17 3hw6 n GLY 99 N 0.50 2.88 3.83 3.99 0.00 -1.26 -4.01 105.19 111.12 3hw6 n GLY 99 Ca 0.02 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.07 4.26 -0.60 1.61 1.01 -1.18 -4.94 120.40 120.50 3hw6 s VAL 100 Ca 0.23 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.85 3hw6 s VAL 100 Cb 0.12 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3hw6 s VAL 100 CO -0.01 -0.80 2.11 -1.61 0.00 0.00 0.00 175.10 174.79 3hw6 s GLU 101 N -4.61 2.35 -0.33 2.72 0.41 -1.26 -4.66 118.70 113.32 3hw6 s GLU 101 Ca 0.59 0.84 -0.43 0.00 -0.41 0.00 0.00 54.97 55.56 3hw6 s GLU 101 Cb -0.13 -4.54 -0.18 0.00 -1.78 0.00 0.00 34.13 27.51 3hw6 s GLU 101 CO 0.45 -3.10 1.62 1.17 -0.49 0.00 0.00 175.26 174.90 3hw6 n LYS 102 N 9.08 0.59 -2.60 1.61 0.00 -1.26 -4.89 118.16 120.68 3hw6 n LYS 102 Ca 0.30 0.22 -0.33 0.00 0.00 0.00 0.00 58.31 58.49 3hw6 n LYS 102 Cb 0.52 -1.81 -0.04 0.00 0.00 0.00 0.00 35.03 33.70 3hw6 n LYS 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3hw6 s PRO 103 N 2.90 3.94 0.03 1.64 0.04 -1.26 -5.01 135.00 137.29 3hw6 s PRO 103 Ca 1.00 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 3hw6 s PRO 103 Cb -1.26 -2.13 -0.32 0.00 0.04 0.00 0.00 34.50 30.83 3hw6 s PRO 103 CO 0.71 -0.29 1.04 0.87 0.04 0.00 0.00 177.00 179.37 3hw6 h LYS 104 N 1.56 0.56 0.00 4.56 1.79 -1.90 -3.43 116.57 119.71 3hw6 h LYS 104 Ca -0.49 -0.84 -0.20 0.00 -2.18 0.00 0.00 60.65 56.93 3hw6 h LYS 104 Cb 1.20 0.30 -0.04 0.00 -1.58 0.00 0.00 32.23 32.11 3hw6 h LYS 104 CO 0.60 1.39 -1.77 1.19 -1.08 0.00 0.00 179.45 179.78 3hw6 n PHE 105 N -3.81 0.00 0.00 -1.35 3.72 -1.26 -5.10 117.46 109.67 3hw6 n PHE 105 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3hw6 n PHE 105 Cb 1.02 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3hw6 n PHE 105 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3hw6 n LEU 106 N -2.46 0.00 0.00 4.37 0.00 -1.26 -5.10 117.00 112.55 3hw6 n LEU 106 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.81 3hw6 n LEU 106 Cb 0.85 0.00 0.01 0.00 0.00 0.00 0.00 43.42 44.28 3hw6 n LEU 106 CO 0.23 0.00 0.02 -2.65 0.00 0.00 0.00 177.39 174.98 3hw6 n PRO 107 N 0.01 -1.54 -0.01 1.96 -0.02 -1.26 -5.02 135.00 129.12 3hw6 n PRO 107 Ca 0.00 -0.05 -0.01 0.00 -2.02 0.00 0.00 63.50 61.42 3hw6 n PRO 107 Cb 0.00 -0.06 -0.01 0.00 -0.02 0.00 0.00 33.50 33.41 3hw6 n PRO 107 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hw6 n ASP 108 N -3.07 4.19 -4.31 2.55 8.00 0.34 -4.47 116.55 119.79 3hw6 n ASP 108 Ca 0.00 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 3hw6 n ASP 108 Cb 0.02 0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 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 -4.67 2.13 -0.06 0.64 1.43 -0.67 0.35 118.68 117.83 3hw6 s LEU 109 Ca -0.02 -1.22 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 3hw6 s LEU 109 Cb 0.01 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 46.05 3hw6 s LEU 109 CO 0.05 -0.54 -0.05 -0.47 0.23 0.00 0.00 176.35 175.57 3hw6 s TYR 110 N -3.50 0.91 -0.39 0.29 5.04 -0.23 -0.83 117.35 118.65 3hw6 s TYR 110 Ca 0.28 -0.31 -0.16 0.00 -2.44 0.00 0.00 57.07 54.44 3hw6 s TYR 110 Cb 0.06 -0.81 0.01 0.00 0.35 0.00 0.00 41.96 41.56 3hw6 s TYR 110 CO 0.08 -0.27 0.41 0.34 -1.34 0.00 0.00 175.55 174.76 3hw6 s ASP 111 N 1.19 6.19 0.13 4.32 3.68 0.16 -0.79 116.67 131.54 3hw6 s ASP 111 Ca -0.06 -0.49 -0.09 0.00 2.13 0.00 0.00 52.55 54.04 3hw6 s ASP 111 Cb -0.14 -2.21 -0.08 0.00 -1.45 0.00 0.00 42.92 39.04 3hw6 s ASP 111 CO -0.01 -0.48 1.36 1.88 0.13 0.00 0.00 175.17 178.04 3hw6 h TYR 112 N 8.61 0.91 0.59 -5.34 0.05 -1.03 0.33 116.97 121.10 3hw6 h TYR 112 Ca -0.28 -0.39 -0.03 0.00 0.05 0.00 0.00 58.73 58.08 3hw6 h TYR 112 Cb 1.12 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.73 3hw6 h TYR 112 CO 0.65 1.20 -0.28 -0.22 -1.05 0.00 0.00 178.16 178.46 3hw6 h LYS 113 N 0.47 -0.77 0.00 4.88 3.64 -1.93 -3.04 116.57 119.82 3hw6 h LYS 113 Ca -0.04 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hw6 h LYS 113 Cb 1.35 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3hw6 h LYS 113 CO 0.15 -0.47 0.00 0.93 -2.27 0.00 0.00 179.45 177.79 3hw6 h GLU 114 N -0.92 0.00 -5.78 1.90 4.39 -1.93 -3.47 114.58 108.76 3hw6 h GLU 114 Ca -0.08 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.42 3hw6 h GLU 114 Cb 0.65 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.35 3hw6 h GLU 114 CO 0.13 0.00 -0.49 0.09 -1.16 0.00 0.00 179.01 177.58 3hw6 n ASN 115 N -2.43 -6.68 -3.49 1.42 5.03 0.10 -5.03 115.26 104.18 3hw6 n ASN 115 Ca 0.03 -0.49 -0.09 0.00 0.87 0.00 0.00 54.58 54.90 3hw6 n ASN 115 Cb 0.32 -4.30 -0.02 0.00 -1.02 0.00 0.00 39.78 34.76 3hw6 n ASN 115 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hw6 s ARG 116 N -4.07 0.91 0.27 3.52 1.70 -0.24 -5.00 118.95 116.04 3hw6 s ARG 116 Ca 0.15 -0.31 -0.29 0.00 -0.47 0.00 0.00 55.73 54.82 3hw6 s ARG 116 Cb -0.04 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 3hw6 s ARG 116 CO 0.79 -0.39 0.94 -0.06 -1.08 0.00 0.00 175.30 175.50 3hw6 s PHE 117 N -3.13 3.89 0.02 5.89 0.40 -1.26 0.35 117.98 124.14 3hw6 s PHE 117 Ca 0.04 1.87 0.06 0.00 -0.60 0.00 0.00 56.93 58.29 3hw6 s PHE 117 Cb -0.01 -2.96 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 3hw6 s PHE 117 CO -0.09 0.38 -0.15 0.42 0.70 0.00 0.00 175.22 176.48 3hw6 s ILE 118 N -1.32 3.03 -0.21 0.64 1.01 -0.01 -0.74 121.20 123.60 3hw6 s ILE 118 Ca 0.44 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3hw6 s ILE 118 Cb -0.24 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 39.97 3hw6 s ILE 118 CO 0.29 0.38 -0.10 -0.70 0.00 0.00 0.00 174.94 174.81 3hw6 s GLU 119 N -1.36 3.09 -0.08 2.79 -6.30 0.22 -0.50 118.70 116.55 3hw6 s GLU 119 Ca 0.15 -0.80 -0.13 0.00 -2.50 0.00 0.00 54.97 51.69 3hw6 s GLU 119 Cb -0.11 -2.85 -0.05 0.00 0.00 0.00 0.00 34.13 31.13 3hw6 s GLU 119 CO 0.05 -0.26 0.33 0.42 0.02 0.00 0.00 175.26 175.83 3hw6 s ILE 120 N 1.37 5.21 0.01 -3.70 -1.09 -1.26 -2.41 121.20 119.34 3hw6 s ILE 120 Ca 0.04 0.65 0.06 0.00 -2.23 0.00 0.00 60.65 59.17 3hw6 s ILE 120 Cb -0.14 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 3hw6 s ILE 120 CO -0.07 0.50 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.12 3hw6 s GLY 121 N -0.43 1.00 -0.14 6.18 0.00 -0.24 -4.98 107.32 108.70 3hw6 s GLY 121 Ca 0.20 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3hw6 s GLY 121 CO 0.08 -0.81 -0.14 0.14 0.00 0.00 0.00 173.10 172.37 3hw6 s VAL 122 N -0.62 1.56 -0.09 1.40 1.01 -1.26 -0.66 120.40 121.74 3hw6 s VAL 122 Ca 0.07 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3hw6 s VAL 122 Cb -0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3hw6 s VAL 122 CO 0.00 0.46 -0.18 0.28 0.00 0.00 0.00 175.10 175.66 3hw6 s THR 123 N 1.45 2.66 -0.28 3.92 -1.32 0.11 -4.96 115.64 117.23 3hw6 s THR 123 Ca 0.04 -0.83 0.23 0.00 -1.21 0.00 0.00 61.69 59.92 3hw6 s THR 123 Cb -0.13 -2.06 -0.01 0.00 -1.51 0.00 0.00 72.50 68.80 3hw6 s THR 123 CO -0.10 0.55 1.06 -2.11 -2.21 0.00 0.00 174.62 171.81 3hw6 n ARG 124 N 3.14 0.57 0.00 7.08 1.85 -1.26 -3.17 116.66 124.87 3hw6 n ARG 124 Ca -0.18 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3hw6 n ARG 124 Cb 0.52 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 3hw6 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hw6 n ARG 125 N -2.60 0.00 -4.59 2.89 1.74 -1.26 -4.72 116.66 108.12 3hw6 n ARG 125 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 3hw6 n ARG 125 Cb 0.54 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.84 3hw6 n ARG 125 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3hw6 s GLU 126 N 0.00 1.34 -0.22 5.56 -1.05 -1.26 -4.90 118.70 118.17 3hw6 s GLU 126 Ca 0.00 -0.95 0.05 0.00 -0.15 0.00 0.00 54.97 53.92 3hw6 s GLU 126 Cb 0.00 -1.46 -0.20 0.00 -0.44 0.00 0.00 34.13 32.03 3hw6 s GLU 126 CO 0.00 0.37 -0.04 1.55 0.95 0.00 0.00 175.26 178.09 3hw6 n VAL 127 N 1.78 1.51 -0.14 1.83 3.14 -1.26 -3.07 118.33 122.12 3hw6 n VAL 127 Ca -0.17 -0.66 -0.04 0.00 -2.96 0.00 0.00 64.34 60.50 3hw6 n VAL 127 Cb 0.53 -1.21 0.04 0.00 -1.06 0.00 0.00 33.84 32.14 3hw6 n VAL 127 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 3hw6 h HIS 128 N 0.01 0.25 0.42 1.45 -0.00 -1.98 -0.10 115.15 115.20 3hw6 h HIS 128 Ca -0.54 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 59.85 3hw6 h HIS 128 Cb 2.01 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 29.34 3hw6 h HIS 128 CO 0.03 0.08 -0.48 1.15 -0.00 0.00 0.00 177.93 178.71 3hw6 h THR 129 N 0.30 0.07 -0.72 6.26 2.02 -2.01 -2.06 112.91 116.77 3hw6 h THR 129 Ca 0.21 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.47 3hw6 h THR 129 Cb 0.22 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 3hw6 h THR 129 CO -0.22 0.00 0.39 0.22 0.37 0.00 0.00 175.52 176.28 3hw6 h TYR 130 N -0.91 0.71 -0.17 3.16 3.20 -1.45 0.14 116.97 121.66 3hw6 h TYR 130 Ca -0.04 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3hw6 h TYR 130 Cb 0.82 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 3hw6 h TYR 130 CO -0.27 0.30 -0.47 -0.92 -1.64 0.00 0.00 178.16 175.16 3hw6 h TYR 131 N 0.69 -1.39 -0.23 -3.82 3.20 -0.85 0.11 116.97 114.69 3hw6 h TYR 131 Ca 0.34 0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.33 3hw6 h TYR 131 Cb 0.29 0.63 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 3hw6 h TYR 131 CO -0.08 -0.50 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.62 3hw6 h LEU 132 N -0.51 -0.79 -0.88 2.82 3.38 -0.46 0.22 115.31 119.09 3hw6 h LEU 132 Ca 0.07 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3hw6 h LEU 132 Cb 0.65 0.37 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 3hw6 h LEU 132 CO -0.44 -0.28 -0.43 -0.62 0.09 0.00 0.00 178.44 176.76 3hw6 n GLU 133 N -5.38 -0.29 -0.07 1.13 1.02 -0.09 -0.79 120.64 116.16 3hw6 n GLU 133 Ca -0.01 1.35 -0.06 0.00 -0.02 0.00 0.00 57.16 58.42 3hw6 n GLU 133 Cb 0.29 -1.99 0.13 0.00 -0.02 0.00 0.00 31.44 29.85 3hw6 n GLU 133 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3hw6 h LYS 134 N 0.00 0.73 0.00 3.49 1.63 0.13 -1.83 116.57 120.71 3hw6 h LYS 134 Ca 0.23 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3hw6 h LYS 134 Cb 0.45 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3hw6 h LYS 134 CO -0.86 0.85 -0.05 0.00 -3.45 0.00 0.00 179.45 175.94 3hw6 h ALA 135 N 1.17 1.14 0.00 5.00 0.00 0.15 -2.85 119.26 123.87 3hw6 h ALA 135 Ca 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hw6 h ALA 135 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hw6 h ALA 135 CO 0.04 0.06 -1.78 0.09 0.00 0.00 0.00 179.25 177.67 3hw6 n ASN 136 N -3.35 1.46 0.00 0.00 5.03 -0.52 -0.41 115.26 117.47 3hw6 n ASN 136 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 3hw6 n ASN 136 Cb 0.20 1.49 0.00 0.00 -1.02 0.00 0.00 39.78 40.45 3hw6 n ASN 136 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3hw6 n LYS 137 N -2.16 0.00 -0.35 3.52 3.00 -0.83 -4.02 118.16 117.32 3hw6 n LYS 137 Ca -0.08 0.48 0.14 0.00 -0.00 0.00 0.00 58.31 58.86 3hw6 n LYS 137 Cb 0.54 -1.20 0.34 0.00 0.00 0.00 0.00 35.03 34.71 3hw6 n LYS 137 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 3hw6 h ILE 138 N 0.00 0.67 -3.78 3.15 3.07 -1.70 -3.43 117.51 115.48 3hw6 h ILE 138 Ca 0.00 -0.25 -0.21 0.00 1.55 0.00 0.00 64.86 65.96 3hw6 h ILE 138 Cb 0.00 -0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 36.42 3hw6 h ILE 138 CO 0.00 0.13 -0.26 1.17 -1.05 0.00 0.00 178.15 178.14 3hw6 n LYS 139 N -4.78 -2.25 0.00 0.16 4.81 0.45 -4.74 118.16 111.81 3hw6 n LYS 139 Ca 0.24 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 3hw6 n LYS 139 Cb 0.62 -5.06 0.00 0.00 0.02 0.00 0.00 35.03 30.60 3hw6 n LYS 139 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3hw6 n SER 140 N -1.61 0.00 0.00 3.14 3.41 -1.25 -5.00 113.62 112.30 3hw6 n SER 140 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3hw6 n SER 140 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3hw6 n SER 140 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hw6 n GLU 141 N 0.00 0.00 -0.09 4.33 0.00 -1.26 -4.98 120.64 118.64 3hw6 n GLU 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3hw6 n GLU 141 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 31.44 31.41 3hw6 n GLU 141 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hw6 n LYS 142 N -0.97 0.04 -2.66 3.44 5.02 -1.26 -5.00 118.16 116.77 3hw6 n LYS 142 Ca 0.00 -0.61 -0.42 0.00 -2.02 0.00 0.00 58.31 55.26 3hw6 n LYS 142 Cb 0.00 -0.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.47 3hw6 n LYS 142 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hw6 s THR 143 N -0.02 4.72 0.23 -0.18 2.01 -1.26 -4.57 115.64 116.58 3hw6 s THR 143 Ca 0.00 1.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.67 3hw6 s THR 143 Cb 0.00 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 3hw6 s THR 143 CO 0.00 0.09 0.98 -2.28 -0.69 0.00 0.00 174.62 172.73 3hw6 s HIS 144 N 1.43 3.87 -0.09 4.92 2.46 0.08 -4.85 115.29 123.11 3hw6 s HIS 144 Ca 0.52 1.85 -0.03 0.00 0.47 0.00 0.00 55.06 57.87 3hw6 s HIS 144 Cb -0.21 -3.07 -0.03 0.00 -0.13 0.00 0.00 32.58 29.14 3hw6 s HIS 144 CO 0.24 0.17 0.03 0.42 -2.47 0.00 0.00 174.74 173.13 3hw6 s ILE 145 N -1.03 4.52 -0.08 0.89 1.01 -1.26 -0.61 121.20 124.64 3hw6 s ILE 145 Ca 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3hw6 s ILE 145 Cb -0.27 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.31 3hw6 s ILE 145 CO 0.34 0.60 -0.05 -2.28 0.00 0.00 0.00 174.94 173.55 3hw6 s HIS 146 N -0.86 1.02 -0.09 3.97 2.46 -1.01 -1.78 115.29 119.00 3hw6 s HIS 146 Ca 0.13 -0.39 0.02 0.00 0.47 0.00 0.00 55.06 55.29 3hw6 s HIS 146 Cb -0.11 -0.92 -0.02 0.00 -0.13 0.00 0.00 32.58 31.39 3hw6 s HIS 146 CO 0.03 -0.34 -0.13 0.42 -2.47 0.00 0.00 174.74 172.24 3hw6 s ILE 147 N 1.45 3.09 -0.05 0.89 -1.09 0.49 -1.08 121.20 124.90 3hw6 s ILE 147 Ca -0.02 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.77 3hw6 s ILE 147 Cb -0.13 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 3hw6 s ILE 147 CO -0.04 0.56 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.66 3hw6 s PHE 148 N -0.24 2.14 0.14 3.97 0.40 0.17 -2.10 117.98 122.45 3hw6 s PHE 148 Ca 0.01 -0.62 0.10 0.00 -0.60 0.00 0.00 56.93 55.82 3hw6 s PHE 148 Cb -0.13 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 3hw6 s PHE 148 CO 0.03 -0.19 -0.24 -1.54 0.70 0.00 0.00 175.22 173.98 3hw6 s SER 149 N -0.09 3.04 0.14 1.36 1.04 -0.56 -0.71 113.70 117.91 3hw6 s SER 149 Ca -0.03 -0.77 -0.18 0.00 0.48 0.00 0.00 55.95 55.45 3hw6 s SER 149 Cb -0.13 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 3hw6 s SER 149 CO 0.03 0.11 1.76 -0.26 0.98 0.00 0.00 173.24 175.85 3hw6 h PHE 150 N 3.73 0.20 -0.95 5.02 -1.00 -1.83 -1.85 116.94 120.26 3hw6 h PHE 150 Ca -0.48 0.01 0.27 0.00 2.81 0.00 0.00 57.97 60.59 3hw6 h PHE 150 Cb 1.18 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.66 3hw6 h PHE 150 CO 0.63 0.10 0.77 0.25 -1.61 0.00 0.00 178.31 178.45 3hw6 n THR 151 N -5.01 0.00 0.00 -1.55 -2.24 -1.26 -4.63 114.28 99.59 3hw6 n THR 151 Ca -0.01 0.80 0.00 0.00 -2.27 0.00 0.00 64.05 62.57 3hw6 n THR 151 Cb 0.08 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 -1.45 0.74 3.98 3.38 0.00 -0.69 -5.09 105.19 106.05 3hw6 n GLY 152 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3hw6 n GLY 152 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hw6 s GLU 153 N -0.69 3.30 0.27 1.61 -1.05 -1.25 -4.95 118.70 115.93 3hw6 s GLU 153 Ca 0.00 -0.81 0.03 0.00 -0.15 0.00 0.00 54.97 54.04 3hw6 s GLU 153 Cb 0.00 -2.83 -0.06 0.00 -0.44 0.00 0.00 34.13 30.81 3hw6 s GLU 153 CO 0.00 0.23 0.03 -1.83 0.95 0.00 0.00 175.26 174.64 3hw6 s GLU 154 N -4.11 1.47 -0.20 -4.83 -1.05 -1.26 -1.50 118.70 107.21 3hw6 s GLU 154 Ca 0.40 -1.78 -0.08 0.00 -0.15 0.00 0.00 54.97 53.36 3hw6 s GLU 154 Cb -0.09 -0.66 0.09 0.00 -0.44 0.00 0.00 34.13 33.02 3hw6 s GLU 154 CO 0.31 -0.16 0.43 1.41 0.95 0.00 0.00 175.26 178.20 3hw6 s MET 155 N -3.90 0.35 0.42 -4.83 1.75 -0.89 -4.98 119.30 107.23 3hw6 s MET 155 Ca 0.33 1.00 0.07 0.00 -1.25 0.00 0.00 55.69 55.84 3hw6 s MET 155 Cb 0.07 0.27 -0.03 0.00 2.84 0.00 0.00 34.83 37.98 3hw6 s MET 155 CO 0.12 -0.23 0.32 0.00 -0.65 0.00 0.00 175.02 174.58 3hw6 s ALA 156 N 2.36 3.95 0.07 4.11 0.00 -1.26 -0.38 121.76 130.60 3hw6 s ALA 156 Ca -0.04 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 3hw6 s ALA 156 Cb -0.11 -0.81 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 3hw6 s ALA 156 CO -0.13 -0.23 1.17 0.99 0.00 0.00 0.00 175.76 177.56 3hw6 s THR 157 N -2.53 4.11 -1.49 0.00 2.01 -0.73 -3.75 115.64 113.25 3hw6 s THR 157 Ca 0.45 1.54 -0.10 0.00 0.31 0.00 0.00 61.69 63.90 3hw6 s THR 157 Cb -0.01 -3.99 0.07 0.00 0.01 0.00 0.00 72.50 68.58 3hw6 s THR 157 CO 0.26 0.13 0.81 0.29 -0.69 0.00 0.00 174.62 175.42 3hw6 n LYS 158 N 3.77 -4.67 -3.30 4.92 5.02 -1.26 -1.03 118.16 121.62 3hw6 n LYS 158 Ca 0.08 0.54 -0.22 0.00 -2.02 0.00 0.00 58.31 56.69 3hw6 n LYS 158 Cb 0.47 -5.21 -0.04 0.00 -0.02 0.00 0.00 35.03 30.23 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 -4.51 -0.93 -2.98 7.82 0.00 -1.25 -4.93 120.51 113.73 3hw6 n ALA 159 Ca -0.08 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 3hw6 n ALA 159 Cb 0.58 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.39 5.27 0.00 0.00 2.15 -0.19 -4.98 116.67 116.53 3hw6 s ASP 160 Ca 0.42 -0.17 0.20 0.00 0.43 0.00 0.00 52.55 53.43 3hw6 s ASP 160 Cb -0.25 -1.95 0.14 0.00 -0.30 0.00 0.00 42.92 40.57 3hw6 s ASP 160 CO 0.52 -0.02 1.11 -1.22 -0.17 0.00 0.00 175.17 175.39 3hw6 n TYR 161 N 4.86 0.00 0.00 -5.34 4.02 -1.26 -4.33 117.16 115.11 3hw6 n TYR 161 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3hw6 n TYR 161 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 1.02 0.00 -4.70 -0.72 -1.04 -1.26 -4.83 114.28 102.76 3hw6 n THR 162 Ca 0.11 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.82 3hw6 n THR 162 Cb 0.49 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.86 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 2.46 0.30 -4.42 1.43 -1.26 -5.12 118.68 112.06 3hw6 s LEU 163 Ca 0.00 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 3hw6 s LEU 163 Cb 0.00 -1.43 -0.13 0.00 0.03 0.00 0.00 46.19 44.66 3hw6 s LEU 163 CO 0.00 0.25 1.20 -0.90 0.23 0.00 0.00 176.35 177.12 3hw6 n ASP 164 N 1.53 2.17 0.18 2.29 5.68 -1.26 -4.81 116.55 122.33 3hw6 n ASP 164 Ca -0.16 1.19 0.13 0.00 -0.50 0.00 0.00 54.79 55.44 3hw6 n ASP 164 Cb 0.52 -1.39 0.61 0.00 -1.14 0.00 0.00 41.12 39.72 3hw6 n ASP 164 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hw6 h GLU 165 N 2.59 0.00 0.00 0.11 5.08 -2.00 0.26 114.58 120.63 3hw6 h GLU 165 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3hw6 h GLU 165 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3hw6 h GLU 165 CO 0.64 0.00 -0.59 1.05 -1.00 0.00 0.00 179.01 179.11 3hw6 h GLU 166 N 0.00 0.00 -0.04 2.33 4.11 -1.98 -2.19 114.58 116.81 3hw6 h GLU 166 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 3hw6 h GLU 166 Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 3hw6 h GLU 166 CO 0.00 0.00 -0.71 0.77 0.07 0.00 0.00 179.01 179.14 3hw6 h SER 167 N 0.00 0.70 0.34 3.06 0.02 -0.83 -1.61 113.55 115.23 3hw6 h SER 167 Ca 0.00 -0.71 -0.08 0.00 -0.84 0.00 0.00 61.79 60.16 3hw6 h SER 167 Cb 0.88 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3hw6 h SER 167 CO 0.00 1.31 -0.37 0.03 -1.14 0.00 0.00 176.83 176.66 3hw6 h ARG 168 N 0.15 0.05 -0.36 3.45 3.08 -1.54 -2.22 114.38 116.99 3hw6 h ARG 168 Ca -0.08 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 3hw6 h ARG 168 Cb 1.38 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 3hw6 h ARG 168 CO 0.14 0.42 -0.33 0.00 -1.07 0.00 0.00 179.97 179.13 3hw6 h ALA 169 N 1.58 0.74 -0.51 0.04 0.00 -1.36 -1.53 119.26 118.22 3hw6 h ALA 169 Ca 0.00 -0.42 0.15 0.00 0.00 0.00 0.00 54.91 54.64 3hw6 h ALA 169 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hw6 h ALA 169 CO 0.05 0.66 0.37 0.00 0.00 0.00 0.00 179.25 180.33 3hw6 h ARG 170 N 0.68 0.01 0.02 0.00 3.08 -0.67 -0.32 114.38 117.19 3hw6 h ARG 170 Ca 0.07 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 3hw6 h ARG 170 Cb 0.87 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 3hw6 h ARG 170 CO 0.08 0.01 -0.33 0.82 -1.07 0.00 0.00 179.97 179.48 3hw6 h ILE 171 N 0.02 1.62 -0.50 2.04 2.04 -1.14 -3.28 117.51 118.30 3hw6 h ILE 171 Ca 0.24 -2.36 0.14 0.00 1.00 0.00 0.00 64.86 63.88 3hw6 h ILE 171 Cb 0.96 3.20 -0.02 0.00 -0.74 0.00 0.00 36.82 40.22 3hw6 h ILE 171 CO -0.01 0.59 0.35 0.11 0.00 0.00 0.00 178.15 179.20 3hw6 h LYS 172 N -0.88 0.05 0.50 2.37 1.57 -0.74 -2.03 116.57 117.40 3hw6 h LYS 172 Ca -0.07 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3hw6 h LYS 172 Cb 1.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3hw6 h LYS 172 CO -0.00 0.03 -0.24 1.15 -0.57 0.00 0.00 179.45 179.82 3hw6 h THR 173 N 0.05 0.50 -0.21 -0.16 2.02 -1.15 -1.54 112.91 112.42 3hw6 h THR 173 Ca 0.24 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 3hw6 h THR 173 Cb 0.88 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3hw6 h THR 173 CO -0.01 0.02 -0.17 -0.09 0.37 0.00 0.00 175.52 175.64 3hw6 h ARG 174 N -0.74 0.36 -0.15 6.66 9.65 -1.49 0.18 114.38 128.85 3hw6 h ARG 174 Ca -0.07 -0.10 -0.16 0.00 -1.10 0.00 0.00 59.98 58.55 3hw6 h ARG 174 Cb 0.55 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3hw6 h ARG 174 CO 0.11 0.52 -0.57 -0.07 2.80 0.00 0.00 179.97 182.77 3hw6 h LEU 175 N 0.33 0.53 0.61 3.80 3.38 -1.29 0.80 115.31 123.47 3hw6 h LEU 175 Ca 0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3hw6 h LEU 175 Cb 0.49 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hw6 h LEU 175 CO 0.03 0.98 -0.29 -0.26 0.09 0.00 0.00 178.44 178.99 3hw6 h PHE 176 N 0.36 -0.76 -0.91 1.13 -1.00 -0.91 -1.67 116.94 113.18 3hw6 h PHE 176 Ca 0.00 -0.02 0.16 0.00 2.81 0.00 0.00 57.97 60.92 3hw6 h PHE 176 Cb 1.10 0.25 -0.16 0.00 3.61 0.00 0.00 35.95 40.76 3hw6 h PHE 176 CO 0.04 -0.47 -0.30 2.41 -1.61 0.00 0.00 178.31 178.37 3hw6 n THR 177 N -4.49 -0.44 0.02 -1.55 -1.04 0.02 0.37 114.28 107.18 3hw6 n THR 177 Ca -0.10 2.11 -0.11 0.00 -2.04 0.00 0.00 64.05 63.91 3hw6 n THR 177 Cb 0.32 -2.84 -0.05 0.00 -1.82 0.00 0.00 70.33 65.95 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 0.82 0.00 12.58 2.04 -0.82 -1.56 117.51 130.57 3hw6 h ILE 178 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 3hw6 h ILE 178 Cb 0.59 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3hw6 h ILE 178 CO -0.91 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 175.13 3hw6 n ARG 179 N -5.19 0.13 -0.09 2.37 0.00 0.16 -2.22 116.66 111.82 3hw6 n ARG 179 Ca -0.05 0.01 -0.07 0.00 -0.00 0.00 0.00 57.85 57.74 3hw6 n ARG 179 Cb 0.11 -1.50 -0.15 0.00 -0.00 0.00 0.00 32.46 30.92 3hw6 n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hw6 n GLN 180 N -1.43 0.81 -0.16 2.89 -0.00 -0.37 -3.38 117.38 115.73 3hw6 n GLN 180 Ca 0.09 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.00 57.03 3hw6 n GLN 180 Cb 0.30 -1.50 0.06 0.00 -0.00 0.00 0.00 30.24 29.10 3hw6 n GLN 180 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3hw6 h GLU 181 N 0.00 0.37 0.07 2.61 4.57 -0.88 -0.38 114.58 120.95 3hw6 h GLU 181 Ca -0.46 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3hw6 h GLU 181 Cb 2.05 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 3hw6 h GLU 181 CO 0.03 0.24 -0.04 0.52 -1.18 0.00 0.00 179.01 178.58 3hw6 h MET 182 N 0.38 -0.09 -0.64 1.92 2.86 -1.65 -3.23 114.93 114.48 3hw6 h MET 182 Ca 0.24 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.99 3hw6 h MET 182 Cb 0.24 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 3hw6 h MET 182 CO -0.23 0.02 0.25 0.00 1.06 0.00 0.00 176.91 178.01 3hw6 h ALA 183 N 0.73 0.84 0.00 6.32 0.00 -1.45 0.28 119.26 125.99 3hw6 h ALA 183 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hw6 h ALA 183 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hw6 h ALA 183 CO 0.02 -0.18 0.00 0.45 0.00 0.00 0.00 179.25 179.53 3hw6 n SER 184 N -4.99 0.04 0.00 0.00 2.88 -0.20 -2.02 113.62 109.33 3hw6 n SER 184 Ca 0.10 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 3hw6 n SER 184 Cb 0.29 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 3hw6 n SER 184 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hw6 n ARG 185 N -0.08 0.00 -0.80 -1.46 1.74 0.92 -5.01 116.66 111.97 3hw6 n ARG 185 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3hw6 n ARG 185 Cb 0.01 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 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 0.00 0.60 0.12 -0.13 0.00 -0.85 -2.47 105.19 102.45 3hw6 n GLY 186 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 0.35 -1.07 0.99 -0.00 -1.58 -3.39 115.31 110.60 3hw6 h LEU 187 Ca 0.00 -0.67 -0.01 0.00 -0.00 0.00 0.00 57.88 57.21 3hw6 h LEU 187 Cb 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.51 3hw6 h LEU 187 CO 0.00 1.59 0.50 -0.25 -0.00 0.00 0.00 178.44 180.28 3hw6 h TRP 188 N 0.06 1.10 0.00 1.13 2.91 -1.86 -2.53 115.95 116.76 3hw6 h TRP 188 Ca -0.35 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.67 3hw6 h TRP 188 Cb 2.03 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 30.32 3hw6 h TRP 188 CO 0.06 0.73 0.00 -3.47 -1.03 0.00 0.00 178.44 174.74 3hw6 n ASP 189 N -4.37 0.00 0.15 2.65 -0.08 -1.26 -1.70 116.55 111.95 3hw6 n ASP 189 Ca 0.09 0.91 0.03 0.00 -1.51 0.00 0.00 54.79 54.31 3hw6 n ASP 189 Cb 0.07 -0.44 0.14 0.00 2.34 0.00 0.00 41.12 43.22 3hw6 n ASP 189 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3hw6 h SER 190 N 0.00 0.00 -0.97 1.67 0.87 -1.82 -2.96 113.55 110.34 3hw6 h SER 190 Ca 0.00 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.69 3hw6 h SER 190 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 3hw6 h SER 190 CO 0.00 0.49 0.61 0.15 -0.53 0.00 0.00 176.83 177.56 3hw6 h PHE 191 N 0.00 1.04 -0.16 2.24 3.57 -1.29 1.45 116.94 123.79 3hw6 h PHE 191 Ca -0.00 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 3hw6 h PHE 191 Cb 1.22 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3hw6 h PHE 191 CO 0.00 0.40 -0.39 -0.09 -2.23 0.00 0.00 178.31 176.00 3hw6 h ARG 192 N 0.90 0.55 -0.31 1.11 2.43 -1.24 -3.27 114.38 114.55 3hw6 h ARG 192 Ca 0.48 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3hw6 h ARG 192 Cb 0.56 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3hw6 h ARG 192 CO -0.25 0.99 0.18 1.96 -1.51 0.00 0.00 179.97 181.34 3hw6 h GLN 193 N 0.19 0.43 0.00 0.20 4.20 -1.11 -3.11 115.11 115.91 3hw6 h GLN 193 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3hw6 h GLN 193 Cb 1.00 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3hw6 h GLN 193 CO 0.09 0.35 0.26 -1.13 -0.67 0.00 0.00 178.83 177.72 3hw6 n SER 194 N -4.82 0.00 -3.64 1.46 3.41 0.49 -4.49 113.62 106.03 3hw6 n SER 194 Ca -0.01 0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.40 3hw6 n SER 194 Cb 0.07 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 3hw6 n SER 194 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hw6 n GLU 195 N -1.21 0.25 -1.88 4.33 2.13 -1.18 -4.86 120.64 118.21 3hw6 n GLU 195 Ca 0.00 -1.21 -0.39 0.00 0.66 0.00 0.00 57.16 56.22 3hw6 n GLU 195 Cb 0.26 -2.72 0.02 0.00 0.27 0.00 0.00 31.44 29.27 3hw6 n GLU 195 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3hw6 s ARG 196 N 6.87 3.42 0.00 5.31 3.00 -1.26 -5.14 118.95 131.14 3hw6 s ARG 196 Ca 0.69 2.19 0.00 0.00 -1.00 0.00 0.00 55.73 57.61 3hw6 s ARG 196 Cb 0.13 -2.40 0.00 0.00 0.00 0.00 0.00 34.95 32.67 3hw6 s ARG 196 CO 0.30 -0.96 0.26 0.41 0.00 0.00 0.00 175.30 175.31