#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl6 s ILE 3 N 0.00 1.91 0.43 0.53 1.01 -1.26 -4.75 121.20 119.07 3hl6 s ILE 3 Ca 0.00 -2.12 -0.26 0.00 0.00 0.00 0.00 60.65 58.27 3hl6 s ILE 3 Cb 0.00 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 3hl6 s ILE 3 CO 0.00 -0.63 1.42 -1.61 0.00 0.00 0.00 174.94 174.12 3hl6 s GLU 4 N 1.06 3.79 -0.16 2.79 2.02 -1.19 -4.83 118.70 122.18 3hl6 s GLU 4 Ca 0.11 2.41 -0.01 0.00 0.02 0.00 0.00 54.97 57.49 3hl6 s GLU 4 Cb -0.19 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 3hl6 s GLU 4 CO -0.12 -0.73 -0.11 0.99 0.02 0.00 0.00 175.26 175.31 3hl6 s THR 5 N -1.20 3.10 0.13 3.63 2.01 -1.26 -1.03 115.64 121.02 3hl6 s THR 5 Ca 0.59 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 62.05 3hl6 s THR 5 Cb -0.43 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 3hl6 s THR 5 CO 0.56 0.49 -0.12 -0.63 -0.69 0.00 0.00 174.62 174.23 3hl6 s ILE 6 N 0.77 3.16 -0.15 1.82 -1.09 0.17 -4.90 121.20 120.98 3hl6 s ILE 6 Ca -0.04 -1.45 -0.07 0.00 -2.23 0.00 0.00 60.65 56.86 3hl6 s ILE 6 Cb -0.15 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3hl6 s ILE 6 CO 0.01 0.04 0.10 -0.69 -1.23 0.00 0.00 174.94 173.18 3hl6 s VAL 7 N -1.33 5.16 -0.17 2.92 1.01 -1.26 -0.83 120.40 125.90 3hl6 s VAL 7 Ca 0.21 0.09 -0.40 0.00 0.00 0.00 0.00 61.98 61.88 3hl6 s VAL 7 Cb -0.10 -3.28 -0.17 0.00 0.00 0.00 0.00 36.38 32.83 3hl6 s VAL 7 CO 0.13 0.54 1.56 0.59 0.00 0.00 0.00 175.10 177.93 3hl6 n ASN 8 N 2.68 1.89 -0.38 3.32 3.02 -1.26 -4.87 115.26 119.66 3hl6 n ASN 8 Ca -0.18 1.11 0.07 0.00 -0.03 0.00 0.00 54.58 55.54 3hl6 n ASN 8 Cb 0.54 -1.12 0.02 0.00 -0.61 0.00 0.00 39.78 38.61 3hl6 n ASN 8 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hl6 n GLU 9 N 4.12 1.57 -4.16 3.52 1.02 -1.26 -5.01 120.64 120.44 3hl6 n GLU 9 Ca 0.24 -0.91 -0.10 0.00 -0.02 0.00 0.00 57.16 56.37 3hl6 n GLU 9 Cb 0.13 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.23 3hl6 n GLU 9 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hl6 s PHE 10 N -1.50 0.93 -0.01 -0.32 0.08 -1.26 -5.00 117.98 110.90 3hl6 s PHE 10 Ca 0.13 -1.25 0.23 0.00 0.12 0.00 0.00 56.93 56.16 3hl6 s PHE 10 Cb 0.11 -0.50 1.28 0.00 -0.57 0.00 0.00 43.02 43.33 3hl6 s PHE 10 CO 0.28 -0.53 1.70 1.49 -0.10 0.00 0.00 175.22 178.07 3hl6 h GLU 11 N 2.82 0.00 -4.73 0.44 4.81 -2.01 -3.43 114.58 112.48 3hl6 h GLU 11 Ca -0.35 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.56 3hl6 h GLU 11 Cb 1.21 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.36 3hl6 h GLU 11 CO 0.58 0.00 -0.75 0.95 -0.73 0.00 0.00 179.01 179.06 3hl6 s THR 12 N -3.61 0.67 0.20 0.32 -4.23 -1.26 -4.98 115.64 102.75 3hl6 s THR 12 Ca -0.03 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 3hl6 s THR 12 Cb 0.07 -0.69 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 3hl6 s THR 12 CO 0.21 -0.25 1.56 0.03 -0.54 0.00 0.00 174.62 175.63 3hl6 h ARG 13 N 4.71 0.64 -0.76 3.99 3.08 -1.83 -2.90 114.38 121.32 3hl6 h ARG 13 Ca -0.36 -0.34 0.16 0.00 0.07 0.00 0.00 59.98 59.52 3hl6 h ARG 13 Cb 1.20 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.15 3hl6 h ARG 13 CO 0.42 0.94 0.24 0.00 -1.07 0.00 0.00 179.97 180.50 3hl6 h ALA 14 N 1.01 1.04 -0.21 0.04 0.00 -1.73 0.13 119.26 119.54 3hl6 h ALA 14 Ca 0.04 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hl6 h ALA 14 Cb 0.94 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hl6 h ALA 14 CO 0.09 -0.30 0.13 0.78 0.00 0.00 0.00 179.25 179.94 3hl6 h GLY 15 N 0.34 0.30 0.83 0.00 0.00 -1.83 -1.60 103.07 101.10 3hl6 h GLY 15 Ca 0.43 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 3hl6 h GLY 15 CO -0.48 0.12 0.01 -0.84 0.00 0.00 0.00 176.54 175.35 3hl6 h THR 16 N 0.26 1.25 -0.79 4.70 2.02 -1.24 -1.73 112.91 117.38 3hl6 h THR 16 Ca 0.08 -0.85 0.19 0.00 0.77 0.00 0.00 66.41 66.59 3hl6 h THR 16 Cb 0.01 1.41 -0.13 0.00 -1.74 0.00 0.00 68.15 67.70 3hl6 h THR 16 CO -0.01 0.26 0.15 -0.07 0.37 0.00 0.00 175.52 176.21 3hl6 h LEU 17 N 0.13 -0.10 -0.42 2.58 -0.00 -0.68 -1.19 115.31 115.63 3hl6 h LEU 17 Ca 0.06 0.18 -0.17 0.00 -0.00 0.00 0.00 57.88 57.95 3hl6 h LEU 17 Cb 0.38 0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3hl6 h LEU 17 CO 0.01 -0.12 -0.51 -0.07 -0.00 0.00 0.00 178.44 177.75 3hl6 h LEU 18 N 0.20 0.83 -1.69 1.67 3.38 -0.81 0.80 115.31 119.69 3hl6 h LEU 18 Ca 0.46 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hl6 h LEU 18 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hl6 h LEU 18 CO -0.60 1.19 -0.12 -0.09 0.09 0.00 0.00 178.44 178.90 3hl6 h ARG 19 N 0.59 0.04 0.08 1.13 2.43 -0.40 -2.62 114.38 115.62 3hl6 h ARG 19 Ca 0.02 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.88 3hl6 h ARG 19 Cb 1.09 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3hl6 h ARG 19 CO 0.11 0.17 -1.67 1.88 -1.51 0.00 0.00 179.97 178.94 3hl6 h TYR 20 N 0.04 0.29 0.00 2.20 0.05 -0.76 -2.77 116.97 116.02 3hl6 h TYR 20 Ca 0.01 -0.21 0.02 0.00 0.05 0.00 0.00 58.73 58.60 3hl6 h TYR 20 Cb 0.24 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3hl6 h TYR 20 CO 0.00 1.34 -0.15 -0.92 -1.05 0.00 0.00 178.16 177.38 3hl6 h TYR 21 N 0.04 -0.39 0.00 4.88 5.03 -0.71 0.36 116.97 126.19 3hl6 h TYR 21 Ca -0.29 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.00 3hl6 h TYR 21 Cb 2.01 0.17 -0.00 0.00 1.55 0.00 0.00 36.73 40.46 3hl6 h TYR 21 CO 0.04 -0.22 -0.18 1.79 -1.32 0.00 0.00 178.16 178.27 3hl6 h THR 22 N -0.25 0.25 -0.38 1.81 1.35 -1.59 -2.57 112.91 111.52 3hl6 h THR 22 Ca 0.05 -1.35 -0.13 0.00 -0.55 0.00 0.00 66.41 64.43 3hl6 h THR 22 Cb 0.32 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3hl6 h THR 22 CO -0.14 0.14 -0.28 1.23 -0.25 0.00 0.00 175.52 176.21 3hl6 h GLY 23 N 3.86 0.87 -2.91 5.82 0.00 -1.10 -3.29 103.07 106.31 3hl6 h GLY 23 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3hl6 h GLY 23 CO 0.02 0.72 0.00 1.04 0.00 0.00 0.00 176.54 178.32 3hl6 n LEU 24 N -4.09 4.38 -0.04 3.11 4.77 0.12 -4.55 117.00 120.70 3hl6 n LEU 24 Ca -0.01 -2.20 -0.09 0.00 -0.03 0.00 0.00 56.01 53.68 3hl6 n LEU 24 Cb 0.47 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3hl6 n LEU 24 CO 0.46 0.89 0.90 -0.07 -1.33 0.00 0.00 177.39 178.24 3hl6 h LEU 25 N 4.21 0.05 -0.34 2.23 3.38 -1.54 -2.30 115.31 121.00 3hl6 h LEU 25 Ca 0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3hl6 h LEU 25 Cb 1.23 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 3hl6 h LEU 25 CO 0.12 0.06 -0.35 -0.08 0.09 0.00 0.00 178.44 178.28 3hl6 h GLU 26 N 0.15 -0.29 -0.15 1.13 4.81 -1.85 -3.08 114.58 115.29 3hl6 h GLU 26 Ca 0.09 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3hl6 h GLU 26 Cb 0.07 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3hl6 h GLU 26 CO -0.10 -0.20 -0.29 0.00 -0.73 0.00 0.00 179.01 177.69 3hl6 h ARG 27 N -0.31 0.28 0.00 1.92 3.08 -1.82 -3.29 114.38 114.24 3hl6 h ARG 27 Ca 0.15 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3hl6 h ARG 27 Cb 0.55 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3hl6 h ARG 27 CO -0.51 0.55 -0.24 0.66 -1.07 0.00 0.00 179.97 179.36 3hl6 h SER 28 N 0.25 0.00 -0.08 7.04 4.64 -1.32 0.19 113.55 124.26 3hl6 h SER 28 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3hl6 h SER 28 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3hl6 h SER 28 CO 0.05 0.24 -0.23 0.11 -0.87 0.00 0.00 176.83 176.13 3hl6 h LYS 29 N 0.00 0.29 -0.00 4.77 1.57 -1.63 -2.52 116.57 119.05 3hl6 h LYS 29 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3hl6 h LYS 29 Cb 0.62 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3hl6 h LYS 29 CO 0.03 0.83 -0.01 0.28 -0.57 0.00 0.00 179.45 180.01 3hl6 n VAL 30 N -4.51 0.00 -3.64 0.50 0.31 -0.75 -4.80 118.33 105.45 3hl6 n VAL 30 Ca -0.08 -0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 3hl6 n VAL 30 Cb 0.44 -0.38 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 3hl6 n VAL 30 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hl6 s GLN 31 N -2.23 0.44 1.25 5.55 2.00 0.59 -5.10 119.66 122.16 3hl6 s GLN 31 Ca 0.39 0.50 -0.15 0.00 -2.00 0.00 0.00 55.36 54.10 3hl6 s GLN 31 Cb 0.21 0.22 0.32 0.00 0.80 0.00 0.00 33.01 34.56 3hl6 s GLN 31 CO 0.41 -0.06 0.99 -2.14 -0.50 0.00 0.00 175.29 173.99 3hl6 s PRO 32 N 0.12 -1.63 -0.29 1.67 0.02 -1.26 -3.45 135.00 130.20 3hl6 s PRO 32 Ca 0.04 0.69 -0.15 0.00 0.02 0.00 0.00 61.00 61.60 3hl6 s PRO 32 Cb -0.05 -1.48 0.11 0.00 0.02 0.00 0.00 34.50 33.10 3hl6 s PRO 32 CO -0.07 -4.15 0.76 0.00 -0.33 0.00 0.00 177.00 173.20 3hl6 s PHE 35 N -0.08 0.02 -0.10 0.00 -0.71 -0.63 -3.14 117.98 113.34 3hl6 s PHE 35 Ca -0.02 -0.14 -0.13 0.00 -1.04 0.00 0.00 56.93 55.61 3hl6 s PHE 35 Cb -0.02 0.56 0.03 0.00 -1.21 0.00 0.00 43.02 42.38 3hl6 s PHE 35 CO 0.01 -0.27 0.34 0.15 -1.34 0.00 0.00 175.22 174.10 3hl6 s LYS 36 N -2.05 0.47 -0.12 1.99 1.02 -0.19 -0.97 119.74 119.89 3hl6 s LYS 36 Ca 0.28 0.32 -0.19 0.00 0.02 0.00 0.00 55.97 56.41 3hl6 s LYS 36 Cb -0.00 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 3hl6 s LYS 36 CO -0.01 -0.08 0.52 -0.51 -0.92 0.00 0.00 175.35 174.35 3hl6 s LEU 37 N -0.17 4.27 -0.25 3.17 1.43 -1.26 0.42 118.68 126.29 3hl6 s LEU 37 Ca -0.03 0.87 -0.38 0.00 -1.03 0.00 0.00 54.13 53.56 3hl6 s LEU 37 Cb -0.03 -2.77 -0.14 0.00 0.03 0.00 0.00 46.19 43.28 3hl6 s LEU 37 CO 0.01 -0.04 1.86 0.00 0.23 0.00 0.00 176.35 178.41 3hl6 n TYR 38 N 3.79 2.05 -1.34 0.29 9.36 -0.01 -2.70 117.16 128.61 3hl6 n TYR 38 Ca -0.06 0.36 -0.12 0.00 3.32 0.00 0.00 57.90 61.41 3hl6 n TYR 38 Cb 0.51 -2.52 -0.05 0.00 -0.63 0.00 0.00 39.34 36.65 3hl6 n TYR 38 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3hl6 n ASN 39 N 6.42 -4.51 -4.41 2.98 3.02 -1.26 -4.62 115.26 112.88 3hl6 n ASN 39 Ca 0.28 0.29 -0.63 0.00 -0.03 0.00 0.00 54.58 54.49 3hl6 n ASN 39 Cb 0.18 -3.03 -0.11 0.00 -0.61 0.00 0.00 39.78 36.20 3hl6 n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hl6 n ASP 40 N -0.04 0.91 0.00 6.41 -0.08 -1.10 -4.86 116.55 117.79 3hl6 n ASP 40 Ca -0.12 0.84 0.06 0.00 -1.51 0.00 0.00 54.79 54.07 3hl6 n ASP 40 Cb 0.40 -0.90 0.30 0.00 2.34 0.00 0.00 41.12 43.26 3hl6 n ASP 40 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hl6 n PRO 41 N 6.38 0.15 0.00 -0.67 -0.04 -1.26 -2.34 135.00 137.23 3hl6 n PRO 41 Ca 0.47 0.18 0.04 0.00 -0.04 0.00 0.00 63.50 64.16 3hl6 n PRO 41 Cb -0.04 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 3hl6 n PRO 41 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hl6 n PHE 42 N -1.31 0.00 -3.32 0.54 3.72 -1.26 -4.90 117.46 110.93 3hl6 n PHE 42 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 3hl6 n PHE 42 Cb 0.10 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.70 3hl6 n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hl6 n ASP 43 N -0.55 -6.21 -4.73 4.37 -0.08 -0.99 -4.54 116.55 103.82 3hl6 n ASP 43 Ca 0.03 -0.42 -0.42 0.00 -1.51 0.00 0.00 54.79 52.48 3hl6 n ASP 43 Cb 0.18 -4.95 -0.03 0.00 2.34 0.00 0.00 41.12 38.66 3hl6 n ASP 43 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3hl6 s MET 44 N -6.02 4.33 0.04 -0.67 -1.94 -1.26 -0.62 119.30 113.16 3hl6 s MET 44 Ca 0.45 2.14 -0.20 0.00 -1.71 0.00 0.00 55.69 56.37 3hl6 s MET 44 Cb -0.20 -3.18 -0.06 0.00 2.01 0.00 0.00 34.83 33.40 3hl6 s MET 44 CO 0.56 -0.36 0.60 0.08 -0.01 0.00 0.00 175.02 175.88 3hl6 s VAL 45 N 0.37 4.81 -0.08 -6.03 1.01 0.53 -4.57 120.40 116.44 3hl6 s VAL 45 Ca 0.60 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.89 3hl6 s VAL 45 Cb -0.38 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 3hl6 s VAL 45 CO 0.37 0.48 -0.24 -0.31 0.00 0.00 0.00 175.10 175.40 3hl6 s TYR 46 N -0.61 2.51 -0.10 5.22 1.51 -0.14 -1.65 117.35 124.10 3hl6 s TYR 46 Ca 0.31 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 3hl6 s TYR 46 Cb -0.19 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 3hl6 s TYR 46 CO 0.18 -0.29 -0.12 0.08 -1.11 0.00 0.00 175.55 174.30 3hl6 s VAL 47 N 0.05 1.25 -0.23 0.71 1.01 -0.05 -1.60 120.40 121.54 3hl6 s VAL 47 Ca -0.10 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 3hl6 s VAL 47 Cb -0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3hl6 s VAL 47 CO 0.06 0.39 0.28 -0.04 0.00 0.00 0.00 175.10 175.79 3hl6 s MET 48 N 1.14 4.09 -0.21 2.72 -1.94 0.15 -0.13 119.30 125.12 3hl6 s MET 48 Ca -0.05 -0.07 -0.05 0.00 -1.71 0.00 0.00 55.69 53.82 3hl6 s MET 48 Cb -0.14 -3.57 0.11 0.00 2.01 0.00 0.00 34.83 33.24 3hl6 s MET 48 CO -0.03 -0.05 0.38 1.41 -0.01 0.00 0.00 175.02 176.72 3hl6 s MET 49 N 1.36 0.31 -0.69 2.03 0.00 -0.63 -1.54 119.30 120.14 3hl6 s MET 49 Ca 0.12 0.74 -0.03 0.00 0.00 0.00 0.00 55.69 56.53 3hl6 s MET 49 Cb -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 34.83 34.55 3hl6 s MET 49 CO 0.07 -0.45 0.59 0.09 0.00 0.00 0.00 175.02 175.32 3hl6 n ASN 50 N 5.37 -3.35 0.00 1.11 3.02 -0.95 -3.02 115.26 117.45 3hl6 n ASN 50 Ca -0.06 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 3hl6 n ASN 50 Cb 0.50 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.73 3hl6 n ASN 50 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hl6 n SER 51 N -1.44 -0.63 -4.59 6.41 3.41 -1.26 -4.97 113.62 110.55 3hl6 n SER 51 Ca -0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.31 3hl6 n SER 51 Cb 0.56 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 3hl6 n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hl6 s LYS 52 N -0.31 2.11 -0.19 4.33 1.02 -1.17 -3.86 119.74 121.68 3hl6 s LYS 52 Ca 0.00 -1.45 -0.02 0.00 0.02 0.00 0.00 55.97 54.51 3hl6 s LYS 52 Cb 0.00 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 3hl6 s LYS 52 CO 0.00 0.37 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.55 3hl6 s LEU 53 N -3.43 2.80 0.29 3.17 2.96 -0.86 -1.60 118.68 122.01 3hl6 s LEU 53 Ca 0.29 -0.38 0.10 0.00 -0.22 0.00 0.00 54.13 53.93 3hl6 s LEU 53 Cb -0.07 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 3hl6 s LEU 53 CO 0.18 0.04 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.82 3hl6 s PHE 54 N 1.08 2.51 0.11 5.38 0.08 0.82 -0.28 117.98 127.69 3hl6 s PHE 54 Ca 0.01 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 3hl6 s PHE 54 Cb -0.15 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3hl6 s PHE 54 CO -0.01 0.62 0.04 0.45 -0.10 0.00 0.00 175.22 176.22 3hl6 s SER 55 N -3.62 0.34 -0.10 1.36 0.15 0.15 -0.87 113.70 111.11 3hl6 s SER 55 Ca 0.32 -1.16 -0.27 0.00 0.70 0.00 0.00 55.95 55.55 3hl6 s SER 55 Cb -0.04 0.28 0.06 0.00 -1.71 0.00 0.00 66.02 64.61 3hl6 s SER 55 CO 0.18 -0.70 0.63 -1.38 1.20 0.00 0.00 173.24 173.16 3hl6 s HIS 56 N -4.02 -0.62 0.24 3.44 -3.43 -0.66 -1.11 115.29 109.14 3hl6 s HIS 56 Ca 0.20 1.20 -0.30 0.00 -0.80 0.00 0.00 55.06 55.37 3hl6 s HIS 56 Cb 0.08 0.32 -0.09 0.00 -1.43 0.00 0.00 32.58 31.46 3hl6 s HIS 56 CO -0.01 -0.51 1.30 0.08 -2.00 0.00 0.00 174.74 173.60 3hl6 s VAL 57 N -0.77 3.06 -0.10 -5.38 1.01 -1.26 -0.35 120.40 116.62 3hl6 s VAL 57 Ca -0.08 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 3hl6 s VAL 57 Cb -0.02 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 3hl6 s VAL 57 CO 0.07 0.17 1.97 -0.47 0.00 0.00 0.00 175.10 176.84 3hl6 s TYR 58 N -0.34 1.42 0.00 5.22 5.04 0.21 -4.83 117.35 124.08 3hl6 s TYR 58 Ca 0.54 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.26 3hl6 s TYR 58 Cb -0.37 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 37.86 3hl6 s TYR 58 CO 0.43 -4.52 0.00 -0.89 -1.34 0.00 0.00 175.55 169.23 3hl6 n ILE 59 N 6.45 0.00 -0.42 3.14 5.41 -1.26 -5.04 119.36 127.64 3hl6 n ILE 59 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.98 3hl6 n ILE 59 Cb 0.43 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 3hl6 n ILE 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3hl6 n LYS 60 N -0.90 0.00 -0.01 0.38 4.01 -1.26 -4.57 118.16 115.81 3hl6 n LYS 60 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 3hl6 n LYS 60 Cb 0.00 -1.55 0.02 0.00 -0.51 0.00 0.00 35.03 33.00 3hl6 n LYS 60 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 3hl6 h ASP 61 N 0.00 0.69 -3.16 4.39 3.04 -2.03 -3.43 116.42 115.92 3hl6 h ASP 61 Ca 0.00 -0.39 -0.59 0.00 -3.24 0.00 0.00 57.03 52.81 3hl6 h ASP 61 Cb 0.00 -0.20 -0.06 0.00 -1.04 0.00 0.00 39.33 38.03 3hl6 h ASP 61 CO 0.00 1.13 -0.15 0.00 -2.04 0.00 0.00 179.24 178.18 3hl6 s LYS 63 N -0.52 3.98 -0.55 0.00 -0.14 -1.26 -4.80 119.74 116.45 3hl6 s LYS 63 Ca 0.25 -0.19 -0.18 0.00 -1.36 0.00 0.00 55.97 54.50 3hl6 s LYS 63 Cb -0.17 -3.35 0.09 0.00 -1.68 0.00 0.00 37.83 32.72 3hl6 s LYS 63 CO 0.13 0.44 0.62 0.08 -0.76 0.00 0.00 175.35 175.85 3hl6 s VAL 64 N -0.03 4.94 -0.87 3.17 1.01 -1.26 -4.85 120.40 122.51 3hl6 s VAL 64 Ca 0.10 -0.94 0.27 0.00 0.00 0.00 0.00 61.98 61.41 3hl6 s VAL 64 Cb -0.11 -4.37 0.26 0.00 0.00 0.00 0.00 36.38 32.16 3hl6 s VAL 64 CO -0.00 -0.94 1.85 -2.11 0.00 0.00 0.00 175.10 173.90 3hl6 n ARG 65 N 5.99 0.13 -3.86 2.72 1.85 -1.26 -4.83 116.66 117.41 3hl6 n ARG 65 Ca -0.10 0.11 -0.27 0.00 -1.00 0.00 0.00 57.85 56.59 3hl6 n ARG 65 Cb 0.43 -1.65 -0.17 0.00 -1.05 0.00 0.00 32.46 30.02 3hl6 n ARG 65 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3hl6 s GLN 66 N -3.05 1.24 0.43 2.89 2.00 -1.26 -5.10 119.66 116.81 3hl6 s GLN 66 Ca 0.12 -0.36 0.03 0.00 -2.00 0.00 0.00 55.36 53.15 3hl6 s GLN 66 Cb 0.16 -1.78 -0.03 0.00 0.80 0.00 0.00 33.01 32.15 3hl6 s GLN 66 CO 0.56 -0.40 0.07 0.45 -0.50 0.00 0.00 175.29 175.46 3hl6 s SER 67 N 1.72 3.25 -0.04 6.67 0.15 -1.26 -4.92 113.70 119.27 3hl6 s SER 67 Ca 0.02 -1.59 -0.00 0.00 0.70 0.00 0.00 55.95 55.08 3hl6 s SER 67 Cb -0.14 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 3hl6 s SER 67 CO -0.07 -0.81 0.01 -0.36 1.20 0.00 0.00 173.24 173.21 3hl6 s PHE 68 N -3.07 0.34 -0.12 3.44 0.08 -0.27 -4.92 117.98 113.47 3hl6 s PHE 68 Ca 0.21 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.97 3hl6 s PHE 68 Cb 0.04 -0.49 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 3hl6 s PHE 68 CO 0.11 -0.17 1.11 -2.00 -0.10 0.00 0.00 175.22 174.17 3hl6 s GLU 69 N 1.35 4.34 -0.12 0.44 2.12 -1.26 0.29 118.70 125.86 3hl6 s GLU 69 Ca -0.05 1.52 0.17 0.00 0.36 0.00 0.00 54.97 56.97 3hl6 s GLU 69 Cb -0.13 -3.60 -0.25 0.00 0.26 0.00 0.00 34.13 30.41 3hl6 s GLU 69 CO -0.02 -0.47 0.20 1.28 -0.54 0.00 0.00 175.26 175.71 3hl6 n LEU 70 N 5.53 0.00 -3.46 2.70 4.77 0.62 -4.88 117.00 122.28 3hl6 n LEU 70 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 3hl6 n LEU 70 Cb 0.47 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 3hl6 n LEU 70 CO 0.54 0.28 0.51 0.00 -1.33 0.00 0.00 177.39 177.38 3hl6 s ALA 71 N -2.79 -1.68 0.18 -1.18 0.00 -1.15 -4.54 121.76 110.60 3hl6 s ALA 71 Ca -0.08 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 3hl6 s ALA 71 Cb 0.08 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 3hl6 s ALA 71 CO 0.77 -0.74 0.32 -1.54 0.00 0.00 0.00 175.76 174.57 3hl6 s SER 72 N -2.65 0.01 0.31 0.00 1.04 -1.11 -2.02 113.70 109.27 3hl6 s SER 72 Ca 0.03 -0.89 0.06 0.00 0.48 0.00 0.00 55.95 55.63 3hl6 s SER 72 Cb -0.01 0.46 0.73 0.00 0.10 0.00 0.00 66.02 67.31 3hl6 s SER 72 CO -0.11 -0.94 1.80 -0.65 0.98 0.00 0.00 173.24 174.32 3hl6 h PRO 73 N 2.48 0.76 -0.17 4.02 0.11 -1.97 0.27 132.00 137.50 3hl6 h PRO 73 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3hl6 h PRO 73 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hl6 h PRO 73 CO 0.46 0.50 0.00 1.63 -0.21 0.00 0.00 178.00 180.38 3hl6 n LYS 74 N -4.69 1.74 -3.19 1.05 5.02 -1.26 -4.53 118.16 112.30 3hl6 n LYS 74 Ca 0.22 -1.11 -0.21 0.00 -2.02 0.00 0.00 58.31 55.18 3hl6 n LYS 74 Cb 0.53 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 3hl6 n LYS 74 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hl6 n HIS 75 N 0.34 -0.06 1.03 2.13 8.25 0.96 -4.81 115.22 123.06 3hl6 n HIS 75 Ca 0.16 -3.68 0.11 0.00 -0.26 0.00 0.00 57.72 54.05 3hl6 n HIS 75 Cb 0.33 -0.38 0.05 0.00 1.12 0.00 0.00 29.99 31.11 3hl6 n HIS 75 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hl6 n THR 76 N 0.90 0.00 -0.13 1.59 -2.24 -1.24 -2.76 114.28 110.40 3hl6 n THR 76 Ca 0.23 -0.29 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 3hl6 n THR 76 Cb 0.58 1.23 0.11 0.00 -2.10 0.00 0.00 70.33 70.16 3hl6 n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hl6 h GLU 77 N 2.77 0.86 -0.94 -0.78 9.09 -1.93 -1.61 114.58 122.04 3hl6 h GLU 77 Ca 0.00 -0.26 0.23 0.00 0.05 0.00 0.00 59.36 59.38 3hl6 h GLU 77 Cb 0.78 -0.08 -0.17 0.00 -1.65 0.00 0.00 28.75 27.62 3hl6 h GLU 77 CO 0.00 0.89 -0.06 0.78 0.05 0.00 0.00 179.01 180.67 3hl6 h GLY 78 N 0.98 1.01 0.94 1.06 0.00 -1.88 0.11 103.07 105.30 3hl6 h GLY 78 Ca 0.14 0.20 -0.21 0.00 0.00 0.00 0.00 47.33 47.46 3hl6 h GLY 78 CO 0.03 -0.43 -0.85 1.41 0.00 0.00 0.00 176.54 176.69 3hl6 h LEU 79 N 0.02 0.66 -2.07 3.11 3.38 -1.54 -3.07 115.31 115.79 3hl6 h LEU 79 Ca 0.53 -0.80 0.05 0.00 0.09 0.00 0.00 57.88 57.74 3hl6 h LEU 79 Cb 0.99 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3hl6 h LEU 79 CO -0.90 1.39 0.13 0.40 0.09 0.00 0.00 178.44 179.55 3hl6 h ILE 80 N 0.02 0.82 0.00 1.22 2.04 -1.02 -2.41 117.51 118.17 3hl6 h ILE 80 Ca -0.12 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 3hl6 h ILE 80 Cb 1.57 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3hl6 h ILE 80 CO 0.17 0.00 -0.78 0.03 0.00 0.00 0.00 178.15 177.57 3hl6 h ARG 81 N 0.00 0.00 0.00 2.37 3.08 -0.70 -2.12 114.38 117.01 3hl6 h ARG 81 Ca 0.08 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3hl6 h ARG 81 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hl6 h ARG 81 CO -0.00 0.78 -0.49 0.77 -1.07 0.00 0.00 179.97 179.96 3hl6 h SER 82 N 0.00 0.00 0.29 7.04 0.02 -1.38 0.25 113.55 119.78 3hl6 h SER 82 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3hl6 h SER 82 Cb 1.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.08 3hl6 h SER 82 CO 0.10 0.49 -0.14 0.40 -1.14 0.00 0.00 176.83 176.54 3hl6 h ILE 83 N 0.00 0.74 0.13 3.27 2.04 -0.97 -0.78 117.51 121.94 3hl6 h ILE 83 Ca -0.00 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3hl6 h ILE 83 Cb 0.96 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3hl6 h ILE 83 CO 0.06 0.10 -0.07 -0.33 0.00 0.00 0.00 178.15 177.91 3hl6 h GLU 84 N -0.66 -0.19 0.00 2.37 5.08 -1.28 -1.81 114.58 118.09 3hl6 h GLU 84 Ca -0.04 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hl6 h GLU 84 Cb 0.46 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hl6 h GLU 84 CO 0.07 -0.12 -0.00 0.78 -1.00 0.00 0.00 179.01 178.73 3hl6 h GLY 85 N -0.19 0.00 0.89 -3.84 0.00 -0.60 0.60 103.07 99.93 3hl6 h GLY 85 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3hl6 h GLY 85 CO 0.01 0.00 -0.17 0.84 0.00 0.00 0.00 176.54 177.22 3hl6 h HIS 86 N 0.00 -0.45 -0.20 5.60 -0.00 -0.24 -2.09 115.15 117.78 3hl6 h HIS 86 Ca -0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.21 3hl6 h HIS 86 Cb 0.02 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 3hl6 h HIS 86 CO 0.00 -0.21 -0.51 1.88 -0.00 0.00 0.00 177.93 179.09 3hl6 h TYR 87 N -0.60 0.67 0.00 5.26 0.05 -1.13 -3.40 116.97 117.81 3hl6 h TYR 87 Ca -0.05 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3hl6 h TYR 87 Cb 0.44 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3hl6 h TYR 87 CO -0.02 0.94 0.00 0.28 -1.05 0.00 0.00 178.16 178.30 3hl6 n VAL 88 N -3.98 0.00 -4.39 -2.88 0.31 0.10 -5.12 118.33 102.37 3hl6 n VAL 88 Ca -0.03 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3hl6 n VAL 88 Cb 0.58 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.66 3hl6 n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hl6 n GLY 89 N 0.31 -0.51 3.12 2.92 0.00 -0.79 -4.83 105.19 105.41 3hl6 n GLY 89 Ca 0.00 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 3hl6 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hl6 s TYR 90 N 0.00 1.72 -0.28 1.61 2.02 0.54 -4.39 117.35 118.57 3hl6 s TYR 90 Ca 0.00 -0.53 -0.18 0.00 -0.37 0.00 0.00 57.07 55.99 3hl6 s TYR 90 Cb 0.00 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 3hl6 s TYR 90 CO 0.00 -0.20 0.52 -2.00 -1.57 0.00 0.00 175.55 172.31 3hl6 s GLU 91 N 0.14 3.97 0.52 -0.62 2.12 -1.26 0.51 118.70 124.07 3hl6 s GLU 91 Ca -0.06 0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.48 3hl6 s GLU 91 Cb -0.12 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.59 3hl6 s GLU 91 CO 0.03 -0.43 0.76 -0.51 -0.54 0.00 0.00 175.26 174.57 3hl6 s LEU 92 N 2.35 3.43 0.11 2.70 1.43 0.21 -4.98 118.68 123.93 3hl6 s LEU 92 Ca 0.21 0.27 0.14 0.00 -1.03 0.00 0.00 54.13 53.72 3hl6 s LEU 92 Cb -0.15 -3.13 0.63 0.00 0.03 0.00 0.00 46.19 43.56 3hl6 s LEU 92 CO 0.10 -0.94 1.43 1.41 0.23 0.00 0.00 176.35 178.59 3hl6 n HIS 93 N -2.28 0.29 -0.23 0.29 8.25 -1.26 -1.30 115.22 118.98 3hl6 n HIS 93 Ca 0.04 0.13 0.07 0.00 -0.26 0.00 0.00 57.72 57.70 3hl6 n HIS 93 Cb 0.58 -0.71 0.29 0.00 1.12 0.00 0.00 29.99 31.28 3hl6 n HIS 93 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3hl6 n ASP 94 N -1.78 4.08 0.00 0.41 5.68 -1.26 -4.93 116.55 118.76 3hl6 n ASP 94 Ca 0.02 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.84 3hl6 n ASP 94 Cb 0.12 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 3hl6 n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hl6 n GLY 95 N 0.79 1.99 3.80 6.12 0.00 -0.42 -4.99 105.19 112.48 3hl6 n GLY 95 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3hl6 n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hl6 s LYS 96 N -0.03 2.76 -0.14 1.61 -0.14 -1.26 -4.81 119.74 117.72 3hl6 s LYS 96 Ca 0.00 1.05 0.01 0.00 -1.36 0.00 0.00 55.97 55.67 3hl6 s LYS 96 Cb 0.00 -1.96 -0.00 0.00 -1.68 0.00 0.00 37.83 34.19 3hl6 s LYS 96 CO 0.00 -1.25 -0.18 -1.14 -0.76 0.00 0.00 175.35 172.03 3hl6 s GLN 97 N -4.90 3.18 -0.07 1.68 2.00 -1.26 -0.62 119.66 119.67 3hl6 s GLN 97 Ca 0.60 -0.78 0.03 0.00 -2.00 0.00 0.00 55.36 53.21 3hl6 s GLN 97 Cb -0.15 -2.54 -0.02 0.00 0.80 0.00 0.00 33.01 31.10 3hl6 s GLN 97 CO 0.53 0.06 -0.17 -1.17 -0.50 0.00 0.00 175.29 174.05 3hl6 s LEU 98 N 0.69 2.57 0.68 3.68 2.96 0.18 -4.86 118.68 124.58 3hl6 s LEU 98 Ca -0.08 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.41 3hl6 s LEU 98 Cb -0.16 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.01 3hl6 s LEU 98 CO 0.02 0.28 1.06 -0.94 -1.32 0.00 0.00 176.35 175.44 3hl6 s SER 99 N -0.32 5.50 0.22 3.68 1.04 -1.26 0.20 113.70 122.76 3hl6 s SER 99 Ca 0.02 1.59 -0.09 0.00 0.48 0.00 0.00 55.95 57.95 3hl6 s SER 99 Cb -0.13 -2.49 0.19 0.00 0.10 0.00 0.00 66.02 63.69 3hl6 s SER 99 CO 0.02 -1.37 1.89 -0.29 0.98 0.00 0.00 173.24 174.48 3hl6 h ILE 100 N -0.66 1.20 0.32 -1.02 2.10 -1.90 0.41 117.51 117.95 3hl6 h ILE 100 Ca -0.44 -0.37 -0.00 0.00 1.08 0.00 0.00 64.86 65.13 3hl6 h ILE 100 Cb 1.21 0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.93 3hl6 h ILE 100 CO 0.57 0.20 -0.30 0.28 -1.08 0.00 0.00 178.15 177.82 3hl6 h SER 101 N 1.09 -0.80 -0.93 2.19 0.02 -1.92 0.29 113.55 113.49 3hl6 h SER 101 Ca 0.30 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.39 3hl6 h SER 101 Cb -0.11 0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3hl6 h SER 101 CO -0.07 -0.43 0.60 0.44 -1.14 0.00 0.00 176.83 176.23 3hl6 h ASP 102 N -0.64 0.92 -0.77 3.07 3.32 -1.73 0.48 116.42 121.08 3hl6 h ASP 102 Ca -0.02 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3hl6 h ASP 102 Cb 0.58 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3hl6 h ASP 102 CO -0.05 0.58 0.33 -0.03 -1.72 0.00 0.00 179.24 178.35 3hl6 h MET 103 N 1.04 1.14 -0.18 3.56 4.05 0.23 0.14 114.93 124.91 3hl6 h MET 103 Ca 0.41 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 3hl6 h MET 103 Cb 0.23 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 3hl6 h MET 103 CO -0.16 0.91 -0.05 1.98 0.23 0.00 0.00 176.91 179.82 3hl6 h MET 104 N 1.11 0.35 -0.52 0.39 1.85 0.54 -2.35 114.93 116.30 3hl6 h MET 104 Ca 0.26 -0.14 0.10 0.00 -0.61 0.00 0.00 59.70 59.32 3hl6 h MET 104 Cb 0.18 -0.02 -0.10 0.00 0.43 0.00 0.00 31.60 32.09 3hl6 h MET 104 CO -0.03 0.62 -0.11 0.00 -0.40 0.00 0.00 176.91 176.99 3hl6 h ALA 105 N 0.72 0.37 -0.34 0.39 0.00 0.28 -0.40 119.26 120.27 3hl6 h ALA 105 Ca 0.04 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hl6 h ALA 105 Cb 0.50 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hl6 h ALA 105 CO 0.02 -0.43 0.11 1.03 0.00 0.00 0.00 179.25 179.98 3hl6 h SER 106 N 0.01 0.50 -0.44 0.00 0.87 -0.63 0.13 113.55 113.99 3hl6 h SER 106 Ca 0.25 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3hl6 h SER 106 Cb 0.39 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3hl6 h SER 106 CO -0.53 0.56 0.22 1.56 -0.53 0.00 0.00 176.83 178.11 3hl6 h GLN 107 N 0.40 0.67 0.12 2.24 1.08 -0.91 -0.91 115.11 117.80 3hl6 h GLN 107 Ca 0.11 -0.08 -0.17 0.00 -1.45 0.00 0.00 58.65 57.06 3hl6 h GLN 107 Cb 0.24 -0.13 0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3hl6 h GLN 107 CO -0.00 0.54 -0.76 1.25 -0.95 0.00 0.00 178.83 178.90 3hl6 h LEU 108 N 0.67 0.38 0.00 1.46 5.85 -0.08 -3.41 115.31 120.19 3hl6 h LEU 108 Ca 0.17 -0.94 -0.03 0.00 0.84 0.00 0.00 57.88 57.92 3hl6 h LEU 108 Cb 0.09 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3hl6 h LEU 108 CO -0.02 1.36 -1.55 0.49 -0.34 0.00 0.00 178.44 178.38 3hl6 n PHE 109 N -4.18 0.00 -1.43 1.25 3.72 0.36 -4.62 117.46 112.56 3hl6 n PHE 109 Ca -0.15 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.24 3hl6 n PHE 109 Cb 0.78 -0.30 0.20 0.00 -0.94 0.00 0.00 39.48 39.22 3hl6 n PHE 109 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hl6 n GLU 110 N -1.97 1.87 -3.67 -1.08 1.02 -0.35 -4.92 120.64 111.54 3hl6 n GLU 110 Ca -0.04 -3.16 -0.27 0.00 -0.02 0.00 0.00 57.16 53.67 3hl6 n GLU 110 Cb 0.38 -1.78 -0.16 0.00 -0.02 0.00 0.00 31.44 29.85 3hl6 n GLU 110 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hl6 s ASP 111 N -2.60 2.79 0.35 1.62 -1.08 -1.24 -4.91 116.67 111.61 3hl6 s ASP 111 Ca 0.43 -0.81 0.19 0.00 -0.52 0.00 0.00 52.55 51.84 3hl6 s ASP 111 Cb 0.39 -0.45 0.33 0.00 -1.46 0.00 0.00 42.92 41.73 3hl6 s ASP 111 CO -0.00 -0.34 1.57 1.05 0.52 0.00 0.00 175.17 177.97 3hl6 h GLU 112 N 8.32 0.00 -0.47 4.34 4.11 -1.95 -2.84 114.58 126.08 3hl6 h GLU 112 Ca -0.16 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.13 3hl6 h GLU 112 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3hl6 h GLU 112 CO 0.33 0.34 -0.24 1.88 0.07 0.00 0.00 179.01 181.39 3hl6 h TYR 113 N 0.00 1.15 -0.50 2.06 0.05 -1.99 -2.21 116.97 115.53 3hl6 h TYR 113 Ca -0.00 -0.29 0.08 0.00 0.05 0.00 0.00 58.73 58.57 3hl6 h TYR 113 Cb 1.15 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 38.56 3hl6 h TYR 113 CO 0.00 1.12 0.11 0.35 -1.05 0.00 0.00 178.16 178.69 3hl6 h PHE 114 N 0.85 0.18 -0.04 4.88 3.57 -1.86 -2.49 116.94 122.03 3hl6 h PHE 114 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hl6 h PHE 114 Cb 0.82 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 3hl6 h PHE 114 CO 0.05 0.00 0.01 0.52 -2.23 0.00 0.00 178.31 176.67 3hl6 h MET 115 N 0.25 0.06 -0.79 1.11 2.86 -1.27 -2.72 114.93 114.44 3hl6 h MET 115 Ca 0.25 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 3hl6 h MET 115 Cb 0.33 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3hl6 h MET 115 CO -0.32 0.29 0.51 1.88 1.06 0.00 0.00 176.91 180.33 3hl6 h TYR 116 N -0.17 0.96 -0.04 -0.22 0.99 -1.35 0.21 116.97 117.34 3hl6 h TYR 116 Ca 0.01 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.78 3hl6 h TYR 116 Cb 0.26 -0.32 -0.00 0.00 1.00 0.00 0.00 36.73 37.67 3hl6 h TYR 116 CO 0.01 0.57 0.06 0.78 -0.00 0.00 0.00 178.16 179.58 3hl6 h GLY 117 N 1.01 0.00 1.26 3.88 0.00 -1.29 -0.65 103.07 107.28 3hl6 h GLY 117 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.30 3hl6 h GLY 117 CO -0.09 0.00 -1.50 1.41 0.00 0.00 0.00 176.54 176.36 3hl6 h LEU 118 N 0.00 0.77 -0.85 3.11 3.38 -0.29 -3.01 115.31 118.42 3hl6 h LEU 118 Ca 0.02 -0.86 0.19 0.00 0.09 0.00 0.00 57.88 57.32 3hl6 h LEU 118 Cb 0.14 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 40.49 3hl6 h LEU 118 CO -0.00 1.68 -0.10 1.56 0.09 0.00 0.00 178.44 181.67 3hl6 h GLN 119 N 0.13 0.03 0.00 1.13 1.08 -0.46 -1.94 115.11 115.08 3hl6 h GLN 119 Ca -0.26 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3hl6 h GLN 119 Cb 2.14 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 29.56 3hl6 h GLN 119 CO 0.25 0.02 -0.04 1.15 -0.95 0.00 0.00 178.83 179.26 3hl6 h THR 120 N 0.03 0.18 -2.26 -0.54 2.02 -1.20 -3.50 112.91 107.64 3hl6 h THR 120 Ca 0.44 -0.40 -0.68 0.00 0.77 0.00 0.00 66.41 66.55 3hl6 h THR 120 Cb 0.76 1.33 -0.17 0.00 -1.74 0.00 0.00 68.15 68.34 3hl6 h THR 120 CO -0.82 0.04 0.91 -0.47 0.37 0.00 0.00 175.52 175.55 3hl6 s TYR 121 N -3.95 3.04 0.00 3.16 5.04 -0.73 -5.11 117.35 118.80 3hl6 s TYR 121 Ca -0.02 -1.31 0.00 0.00 -2.44 0.00 0.00 57.07 53.30 3hl6 s TYR 121 Cb 0.11 -4.33 0.00 0.00 0.35 0.00 0.00 41.96 38.09 3hl6 s TYR 121 CO 0.52 -1.54 0.00 0.00 -1.34 0.00 0.00 175.55 173.19 3hl6 n GLN 146 N 6.84 0.00 -2.17 4.97 10.64 -1.26 -4.84 117.38 131.57 3hl6 n GLN 146 Ca 0.24 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.14 3hl6 n GLN 146 Cb 0.49 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.93 3hl6 n GLN 146 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3hl6 s SER 147 N 0.00 5.16 0.25 2.61 0.15 -1.26 -5.11 113.70 115.50 3hl6 s SER 147 Ca 0.00 0.71 -0.19 0.00 0.70 0.00 0.00 55.95 57.18 3hl6 s SER 147 Cb 0.00 -1.49 0.02 0.00 -1.71 0.00 0.00 66.02 62.84 3hl6 s SER 147 CO 0.00 -1.40 0.62 -0.44 1.20 0.00 0.00 173.24 173.22 3hl6 s SER 148 N -4.42 -0.25 0.10 5.45 0.01 -1.26 -5.11 113.70 108.22 3hl6 s SER 148 Ca 0.58 -0.60 -0.31 0.00 1.31 0.00 0.00 55.95 56.92 3hl6 s SER 148 Cb -0.11 0.66 -0.12 0.00 0.21 0.00 0.00 66.02 66.66 3hl6 s SER 148 CO 0.47 -1.22 1.60 -0.55 0.41 0.00 0.00 173.24 173.95 3hl6 h ASN 149 N 2.09 -1.10 -3.07 2.44 7.08 -2.03 -3.42 115.58 117.57 3hl6 h ASN 149 Ca -0.24 0.11 -0.18 0.00 -3.08 0.00 0.00 56.30 52.91 3hl6 h ASN 149 Cb 1.26 0.39 -0.30 0.00 -2.08 0.00 0.00 38.32 37.59 3hl6 h ASN 149 CO 0.30 -0.51 -0.47 -0.89 -2.08 0.00 0.00 177.43 173.78 3hl6 s THR 150 N -5.96 -0.24 0.71 6.14 2.01 -1.26 -5.16 115.64 111.89 3hl6 s THR 150 Ca -0.17 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 3hl6 s THR 150 Cb 0.06 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.13 3hl6 s THR 150 CO 0.63 0.08 1.07 1.51 -0.69 0.00 0.00 174.62 177.22 3hl6 s ASP 151 N 1.86 5.21 0.29 3.53 1.47 -1.26 -4.87 116.67 122.90 3hl6 s ASP 151 Ca -0.05 1.57 0.02 0.00 1.18 0.00 0.00 52.55 55.27 3hl6 s ASP 151 Cb -0.11 -2.42 0.46 0.00 -0.34 0.00 0.00 42.92 40.51 3hl6 s ASP 151 CO -0.09 -1.54 1.78 0.58 0.68 0.00 0.00 175.17 176.57 3hl6 h VAL 152 N -0.79 1.24 -0.08 2.11 2.07 -1.95 -2.07 116.25 116.78 3hl6 h VAL 152 Ca -0.44 -1.04 -0.19 0.00 0.82 0.00 0.00 66.70 65.85 3hl6 h VAL 152 Cb 1.22 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3hl6 h VAL 152 CO 0.57 0.34 -0.76 0.40 0.02 0.00 0.00 177.57 178.15 3hl6 h ILE 153 N 0.52 1.37 -0.38 4.57 2.04 -1.99 -2.47 117.51 121.17 3hl6 h ILE 153 Ca 0.10 -2.15 -0.02 0.00 1.00 0.00 0.00 64.86 63.79 3hl6 h ILE 153 Cb 0.50 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3hl6 h ILE 153 CO 0.03 0.65 0.17 0.00 0.00 0.00 0.00 178.15 179.00 3hl6 h ALA 154 N 0.87 1.58 -0.27 1.87 0.00 -1.83 -0.34 119.26 121.14 3hl6 h ALA 154 Ca -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3hl6 h ALA 154 Cb 1.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3hl6 h ALA 154 CO 0.13 0.34 -0.18 -0.91 0.00 0.00 0.00 179.25 178.63 3hl6 h ASN 155 N 0.53 0.63 0.77 0.00 2.35 -1.03 -2.60 115.58 116.24 3hl6 h ASN 155 Ca 0.13 -0.44 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 3hl6 h ASN 155 Cb 0.09 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3hl6 h ASN 155 CO -0.02 0.93 -0.53 0.40 -1.65 0.00 0.00 177.43 176.56 3hl6 h ILE 156 N 0.33 1.20 -0.46 2.81 2.04 -1.07 -2.08 117.51 120.28 3hl6 h ILE 156 Ca 0.05 -1.94 -0.11 0.00 1.00 0.00 0.00 64.86 63.87 3hl6 h ILE 156 Cb 0.72 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3hl6 h ILE 156 CO 0.05 0.52 -0.12 -0.33 0.00 0.00 0.00 178.15 178.27 3hl6 h GLU 157 N 0.00 0.90 -0.85 2.37 5.08 -0.96 0.10 114.58 121.23 3hl6 h GLU 157 Ca -0.01 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3hl6 h GLU 157 Cb 1.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 3hl6 h GLU 157 CO 0.07 1.00 0.51 1.98 -1.00 0.00 0.00 179.01 181.57 3hl6 h MET 158 N 0.75 1.15 -0.45 2.33 4.05 -1.26 0.12 114.93 121.62 3hl6 h MET 158 Ca 0.12 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3hl6 h MET 158 Cb 0.67 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 3hl6 h MET 158 CO 0.05 0.81 0.26 -0.07 0.23 0.00 0.00 176.91 178.19 3hl6 h LEU 159 N 1.16 0.54 -0.30 3.39 3.38 -1.05 0.13 115.31 122.58 3hl6 h LEU 159 Ca 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3hl6 h LEU 159 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hl6 h LEU 159 CO -0.06 0.45 0.11 1.88 0.09 0.00 0.00 178.44 180.92 3hl6 h TYR 160 N 0.59 0.46 -0.04 1.13 0.05 -0.34 -0.42 116.97 118.41 3hl6 h TYR 160 Ca 0.16 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.93 3hl6 h TYR 160 Cb 0.01 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 3hl6 h TYR 160 CO -0.03 0.45 -0.18 1.96 -1.05 0.00 0.00 178.16 179.32 3hl6 h GLN 161 N 0.33 -0.26 -0.75 4.88 4.20 -0.49 -1.97 115.11 121.06 3hl6 h GLN 161 Ca 0.10 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.97 3hl6 h GLN 161 Cb 0.19 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.94 3hl6 h GLN 161 CO -0.01 -0.17 0.29 -0.07 -0.67 0.00 0.00 178.83 178.19 3hl6 h LEU 162 N -0.27 0.25 -0.67 1.46 3.38 -0.67 -2.84 115.31 115.95 3hl6 h LEU 162 Ca 0.07 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.26 3hl6 h LEU 162 Cb 0.36 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3hl6 h LEU 162 CO -0.19 0.09 0.27 0.00 0.09 0.00 0.00 178.44 178.69 3hl6 h ALA 163 N 1.55 0.90 0.00 1.53 0.00 -0.32 0.11 119.26 123.03 3hl6 h ALA 163 Ca 0.41 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3hl6 h ALA 163 Cb 0.63 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hl6 h ALA 163 CO -0.41 -0.17 0.00 1.79 0.00 0.00 0.00 179.25 180.46 3hl6 h THR 164 N 0.45 0.00 -0.00 0.00 1.35 -1.20 -0.75 112.91 112.76 3hl6 h THR 164 Ca 0.35 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 3hl6 h THR 164 Cb 0.45 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3hl6 h THR 164 CO -0.33 0.00 -0.49 0.61 -0.25 0.00 0.00 175.52 175.06 3hl6 n GLY 165 N -0.88 -0.85 3.61 5.82 0.00 0.02 -1.91 105.19 111.00 3hl6 n GLY 165 Ca -0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3hl6 n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl6 s ILE 166 N -2.77 4.81 0.05 -0.61 1.01 -0.29 -4.59 121.20 118.81 3hl6 s ILE 166 Ca 0.16 1.19 -0.18 0.00 0.00 0.00 0.00 60.65 61.82 3hl6 s ILE 166 Cb 0.18 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 3hl6 s ILE 166 CO 0.65 -0.22 0.52 0.20 0.00 0.00 0.00 174.94 176.09 3hl6 s ASN 167 N 1.60 6.99 -0.66 3.58 0.01 -1.26 -4.46 114.94 120.73 3hl6 s ASN 167 Ca 0.32 1.18 -0.05 0.00 -0.71 0.00 0.00 52.86 53.59 3hl6 s ASN 167 Cb -0.14 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.20 3hl6 s ASN 167 CO 0.12 0.29 0.45 -0.62 -1.51 0.00 0.00 177.10 175.83 3hl6 n GLU 168 N 1.76 -0.99 -1.79 -0.60 1.02 -1.26 -4.89 120.64 113.89 3hl6 n GLU 168 Ca -0.11 0.41 -0.42 0.00 -0.02 0.00 0.00 57.16 57.02 3hl6 n GLU 168 Cb 0.51 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 3hl6 n GLU 168 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hl6 s PRO 169 N -4.72 4.15 0.45 3.49 0.04 -1.26 -4.97 135.00 132.18 3hl6 s PRO 169 Ca 0.07 2.52 -0.25 0.00 0.04 0.00 0.00 61.00 63.38 3hl6 s PRO 169 Cb -0.04 -3.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 3hl6 s PRO 169 CO 0.67 -0.77 1.45 0.08 0.04 0.00 0.00 177.00 178.47 3hl6 s VAL 170 N 2.13 2.01 0.27 -0.36 1.01 -1.26 -4.74 120.40 119.46 3hl6 s VAL 170 Ca 0.77 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.75 3hl6 s VAL 170 Cb -0.45 -3.00 0.27 0.00 0.00 0.00 0.00 36.38 33.19 3hl6 s VAL 170 CO 0.34 0.00 1.83 -0.65 0.00 0.00 0.00 175.10 176.62 3hl6 h PRO 171 N 2.35 0.91 -0.82 2.72 0.11 -2.00 -1.43 132.00 133.84 3hl6 h PRO 171 Ca -0.51 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.71 3hl6 h PRO 171 Cb 1.27 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 3hl6 h PRO 171 CO 0.61 0.60 0.54 0.93 -0.21 0.00 0.00 178.00 180.48 3hl6 h GLU 172 N 0.94 0.43 -0.07 1.05 3.07 -1.92 0.40 114.58 118.48 3hl6 h GLU 172 Ca 0.47 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.29 3hl6 h GLU 172 Cb 0.46 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3hl6 h GLU 172 CO -0.26 0.28 -0.05 -0.07 -1.40 0.00 0.00 179.01 177.51 3hl6 h LEU 173 N 0.44 0.16 0.45 1.33 3.38 -1.60 0.34 115.31 119.80 3hl6 h LEU 173 Ca 0.41 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hl6 h LEU 173 Cb 0.94 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3hl6 h LEU 173 CO -0.14 0.57 -0.29 0.58 0.09 0.00 0.00 178.44 179.24 3hl6 h VAL 174 N -0.25 0.39 -0.01 1.22 2.07 -1.36 -1.90 116.25 116.41 3hl6 h VAL 174 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3hl6 h VAL 174 Cb 0.52 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3hl6 h VAL 174 CO 0.01 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.26 3hl6 h GLU 175 N -0.72 -0.31 -0.79 1.57 4.57 -0.27 -1.01 114.58 117.63 3hl6 h GLU 175 Ca -0.05 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.30 3hl6 h GLU 175 Cb 0.60 0.07 -0.15 0.00 -0.16 0.00 0.00 28.75 29.11 3hl6 h GLU 175 CO 0.04 -0.20 -0.26 0.78 -1.18 0.00 0.00 179.01 178.18 3hl6 h GLY 176 N -0.32 0.36 1.12 1.92 0.00 -0.36 0.25 103.07 106.04 3hl6 h GLY 176 Ca 0.01 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3hl6 h GLY 176 CO -0.18 -0.27 0.47 -2.00 0.00 0.00 0.00 176.54 174.56 3hl6 h LEU 177 N -0.04 1.03 -0.34 3.11 5.85 -1.17 -1.83 115.31 121.92 3hl6 h LEU 177 Ca 0.35 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 3hl6 h LEU 177 Cb 0.59 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hl6 h LEU 177 CO -0.83 0.82 -0.15 0.50 -0.34 0.00 0.00 178.44 178.44 3hl6 h LYS 178 N 1.17 0.71 0.09 1.25 3.64 0.79 -2.33 116.57 121.89 3hl6 h LYS 178 Ca 0.30 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hl6 h LYS 178 Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3hl6 h LYS 178 CO -0.05 0.90 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.80 3hl6 h LEU 179 N 0.48 -0.46 -1.80 5.20 3.38 -0.88 -1.19 115.31 120.04 3hl6 h LEU 179 Ca 0.08 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.32 3hl6 h LEU 179 Cb 0.68 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3hl6 h LEU 179 CO 0.05 -0.19 0.61 0.58 0.09 0.00 0.00 178.44 179.58 3hl6 h VAL 180 N -0.27 0.61 -0.10 1.22 2.07 -1.39 0.79 116.25 119.18 3hl6 h VAL 180 Ca -0.01 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3hl6 h VAL 180 Cb 0.25 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3hl6 h VAL 180 CO -0.06 0.03 -0.25 0.74 0.02 0.00 0.00 177.57 178.05 3hl6 h THR 181 N 0.16 1.39 -0.35 2.57 2.02 -1.12 -2.96 112.91 114.62 3hl6 h THR 181 Ca 0.44 -1.56 -0.14 0.00 0.77 0.00 0.00 66.41 65.92 3hl6 h THR 181 Cb 1.46 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 3hl6 h THR 181 CO -0.08 0.45 -0.33 -0.08 0.37 0.00 0.00 175.52 175.85 3hl6 h GLU 182 N -0.09 0.85 -0.86 6.66 4.81 0.13 -2.85 114.58 123.23 3hl6 h GLU 182 Ca -0.00 -0.44 0.22 0.00 -0.13 0.00 0.00 59.36 59.01 3hl6 h GLU 182 Cb 0.85 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.10 3hl6 h GLU 182 CO 0.05 1.08 0.10 0.35 -0.73 0.00 0.00 179.01 179.86 3hl6 h PHE 183 N 0.64 0.10 0.00 0.92 3.04 -0.98 -3.01 116.94 117.66 3hl6 h PHE 183 Ca 0.06 0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.98 3hl6 h PHE 183 Cb 0.91 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 3hl6 h PHE 183 CO 0.07 -0.28 -0.43 -0.39 -2.02 0.00 0.00 178.31 175.26 3hl6 h VAL 184 N 0.12 0.95 -0.19 1.41 -1.51 -1.32 -3.16 116.25 112.55 3hl6 h VAL 184 Ca 0.51 -1.71 -0.54 0.00 -1.23 0.00 0.00 66.70 63.73 3hl6 h VAL 184 Cb 1.00 2.03 0.02 0.00 -2.13 0.00 0.00 31.29 32.21 3hl6 h VAL 184 CO -0.73 0.42 1.87 0.00 -1.23 0.00 0.00 177.57 177.90 3hl6 n GLN 185 N -3.51 1.58 0.09 5.19 1.13 -1.14 -4.78 117.38 115.94 3hl6 n GLN 185 Ca -0.00 -2.10 -0.12 0.00 -1.94 0.00 0.00 57.00 52.84 3hl6 n GLN 185 Cb 0.56 -3.22 -0.09 0.00 0.11 0.00 0.00 30.24 27.60 3hl6 n GLN 185 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 3hl6 h ASP 186 N 8.52 0.29 -5.86 1.08 2.03 -1.78 -3.47 116.42 117.22 3hl6 h ASP 186 Ca 0.35 -0.28 -0.44 0.00 -0.73 0.00 0.00 57.03 55.93 3hl6 h ASP 186 Cb 0.77 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.17 3hl6 h ASP 186 CO 1.69 1.16 -0.69 -1.84 -1.03 0.00 0.00 179.24 178.53 3hl6 n GLU 187 N -3.54 -5.46 -3.33 4.15 0.28 -1.26 -1.62 120.64 109.85 3hl6 n GLU 187 Ca -0.05 0.65 -0.18 0.00 -0.16 0.00 0.00 57.16 57.43 3hl6 n GLU 187 Cb 0.93 -5.54 0.07 0.00 1.43 0.00 0.00 31.44 28.33 3hl6 n GLU 187 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hl6 n ASN 188 N -2.73 -4.05 -4.59 -1.84 3.02 -1.26 -4.97 115.26 98.84 3hl6 n ASN 188 Ca 0.01 -0.49 -0.35 0.00 -0.03 0.00 0.00 54.58 53.72 3hl6 n ASN 188 Cb 0.54 -4.37 0.09 0.00 -0.61 0.00 0.00 39.78 35.43 3hl6 n ASN 188 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hl6 n ALA 189 N -4.18 -0.50 -2.39 5.41 0.00 -0.64 -4.99 120.51 113.22 3hl6 n ALA 189 Ca -0.11 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 52.91 3hl6 n ALA 189 Cb 0.59 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 3hl6 n ALA 189 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hl6 s THR 190 N -1.88 3.58 0.54 0.00 -4.23 -1.26 -4.94 115.64 107.45 3hl6 s THR 190 Ca 0.71 -1.17 0.36 0.00 -1.18 0.00 0.00 61.69 60.41 3hl6 s THR 190 Cb -0.34 -3.23 0.54 0.00 1.34 0.00 0.00 72.50 70.82 3hl6 s THR 190 CO 0.52 -0.13 1.82 -0.61 -0.54 0.00 0.00 174.62 175.68 3hl6 h GLN 191 N 1.01 0.01 -0.21 3.99 5.75 -1.96 0.27 115.11 123.96 3hl6 h GLN 191 Ca -0.44 -0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 57.93 3hl6 h GLN 191 Cb 1.26 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 3hl6 h GLN 191 CO 0.54 0.00 -0.38 0.93 -2.65 0.00 0.00 178.83 177.28 3hl6 h GLU 192 N 0.01 0.62 -0.31 1.69 4.39 -1.99 -2.87 114.58 116.11 3hl6 h GLU 192 Ca 0.55 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3hl6 h GLU 192 Cb 2.18 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.86 3hl6 h GLU 192 CO -0.01 1.01 0.18 -0.44 -1.16 0.00 0.00 179.01 178.59 3hl6 h ASP 193 N 0.31 0.38 -0.62 1.42 3.32 -0.85 -1.17 116.42 119.21 3hl6 h ASP 193 Ca 0.01 -0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.12 3hl6 h ASP 193 Cb 0.98 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.32 3hl6 h ASP 193 CO 0.09 0.35 -0.05 0.22 -1.72 0.00 0.00 179.24 178.12 3hl6 h TYR 194 N 0.39 -0.14 0.00 4.55 3.20 -1.47 -0.99 116.97 122.51 3hl6 h TYR 194 Ca 0.11 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3hl6 h TYR 194 Cb 0.04 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3hl6 h TYR 194 CO -0.03 -0.21 -0.42 1.57 -1.64 0.00 0.00 178.16 177.43 3hl6 h LYS 195 N 0.07 0.00 -0.20 1.82 2.10 -1.20 0.93 116.57 120.09 3hl6 h LYS 195 Ca 0.32 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.94 3hl6 h LYS 195 Cb 0.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 3hl6 h LYS 195 CO -0.57 0.42 0.02 0.00 -2.00 0.00 0.00 179.45 177.31 3hl6 h ALA 196 N 1.58 0.27 0.25 0.07 0.00 -0.73 -2.82 119.26 117.89 3hl6 h ALA 196 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hl6 h ALA 196 Cb 0.89 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3hl6 h ALA 196 CO 0.05 -0.03 -0.30 1.25 0.00 0.00 0.00 179.25 180.22 3hl6 h LEU 197 N 0.12 -0.84 -0.45 0.00 5.85 -0.37 -3.04 115.31 116.58 3hl6 h LEU 197 Ca 0.06 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3hl6 h LEU 197 Cb 0.36 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3hl6 h LEU 197 CO 0.01 -0.42 0.22 -0.08 -0.34 0.00 0.00 178.44 177.82 3hl6 h GLU 198 N -0.60 0.42 -0.77 1.25 4.81 -0.86 0.09 114.58 118.91 3hl6 h GLU 198 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3hl6 h GLU 198 Cb 0.57 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3hl6 h GLU 198 CO -0.10 0.28 0.45 0.07 -0.73 0.00 0.00 179.01 178.99 3hl6 h ARG 199 N 0.44 1.05 0.35 1.92 0.11 -1.51 0.17 114.38 116.90 3hl6 h ARG 199 Ca 0.20 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 60.16 3hl6 h ARG 199 Cb 0.12 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 30.99 3hl6 h ARG 199 CO -0.15 0.75 -0.17 0.87 0.10 0.00 0.00 179.97 181.38 3hl6 h LYS 200 N 1.06 -0.45 -0.71 0.08 1.57 -1.14 0.41 116.57 117.38 3hl6 h LYS 200 Ca 0.27 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.24 3hl6 h LYS 200 Cb -0.02 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.26 3hl6 h LYS 200 CO -0.05 -0.18 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.51 3hl6 h LEU 201 N -0.69 -0.48 -1.35 2.94 3.38 -0.81 0.48 115.31 118.79 3hl6 h LEU 201 Ca -0.05 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3hl6 h LEU 201 Cb 0.48 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3hl6 h LEU 201 CO 0.08 -0.20 -0.03 0.78 0.09 0.00 0.00 178.44 179.16 3hl6 h ASN 202 N 0.06 0.37 0.31 -0.43 2.35 -0.32 0.47 115.58 118.38 3hl6 h ASN 202 Ca 0.37 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 3hl6 h ASN 202 Cb 0.61 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3hl6 h ASN 202 CO -0.67 0.45 -0.15 0.44 -1.65 0.00 0.00 177.43 175.85 3hl6 h ASP 203 N 0.38 -0.35 -0.24 5.81 3.32 0.34 -2.68 116.42 123.00 3hl6 h ASP 203 Ca 0.08 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3hl6 h ASP 203 Cb 0.30 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3hl6 h ASP 203 CO 0.01 -0.16 0.06 -0.07 -1.72 0.00 0.00 179.24 177.36 3hl6 h LEU 204 N -0.52 0.04 -0.40 1.55 3.38 0.51 -1.39 115.31 118.48 3hl6 h LEU 204 Ca -0.04 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3hl6 h LEU 204 Cb 0.39 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3hl6 h LEU 204 CO 0.07 0.05 -0.24 1.17 0.09 0.00 0.00 178.44 179.59 3hl6 n LYS 205 N -5.07 -0.18 -0.36 1.13 4.81 0.16 -0.08 118.16 118.57 3hl6 n LYS 205 Ca -0.02 1.05 0.06 0.00 -0.87 0.00 0.00 58.31 58.53 3hl6 n LYS 205 Cb 0.10 -1.55 0.22 0.00 0.02 0.00 0.00 35.03 33.82 3hl6 n LYS 205 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hl6 h ALA 206 N -0.24 1.49 -0.30 3.14 0.00 -0.93 0.35 119.26 122.77 3hl6 h ALA 206 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hl6 h ALA 206 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hl6 h ALA 206 CO -0.38 0.30 0.07 1.03 0.00 0.00 0.00 179.25 180.28 3hl6 h SER 207 N 1.06 0.46 -0.77 0.00 0.87 -0.88 -2.35 113.55 111.93 3hl6 h SER 207 Ca 0.47 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3hl6 h SER 207 Cb 0.37 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 3hl6 h SER 207 CO -0.23 0.57 0.38 0.22 -0.53 0.00 0.00 176.83 177.25 3hl6 h TYR 208 N 0.32 1.12 -0.13 2.24 3.20 0.13 -3.01 116.97 120.84 3hl6 h TYR 208 Ca 0.09 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hl6 h TYR 208 Cb 0.30 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hl6 h TYR 208 CO 0.01 0.81 0.00 0.66 -1.64 0.00 0.00 178.16 178.00 3hl6 n TYR 209 N -4.32 0.15 -4.33 -3.82 4.01 -0.07 -4.92 117.16 103.86 3hl6 n TYR 209 Ca 0.08 -0.07 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3hl6 n TYR 209 Cb 0.14 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.09 3hl6 n TYR 209 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3hl6 n SER 210 N 0.81 -1.16 -4.64 7.72 7.64 -0.99 -4.92 113.62 118.08 3hl6 n SER 210 Ca 0.17 -1.18 -0.47 0.00 1.01 0.00 0.00 58.87 58.40 3hl6 n SER 210 Cb 0.47 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 3hl6 n SER 210 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hl6 n LEU 211 N -3.95 2.61 -4.56 -3.43 4.32 -0.92 -4.95 117.00 106.12 3hl6 n LEU 211 Ca 0.02 1.12 -0.40 0.00 -0.02 0.00 0.00 56.01 56.73 3hl6 n LEU 211 Cb 0.47 -1.35 -0.03 0.00 -1.62 0.00 0.00 43.42 40.89 3hl6 n LEU 211 CO 0.88 -0.64 1.55 -0.94 -1.22 0.00 0.00 177.39 177.02 3hl6 s SER 212 N 0.49 6.45 1.00 -1.43 1.04 -1.26 -4.81 113.70 115.17 3hl6 s SER 212 Ca 0.75 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3hl6 s SER 212 Cb -0.74 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 62.81 3hl6 s SER 212 CO 0.45 -1.56 0.00 0.29 0.98 0.00 0.00 173.24 173.41 3hl6 n LYS 213 N 8.81 0.00 -0.12 4.02 4.76 -1.26 -5.22 118.16 129.15 3hl6 n LYS 213 Ca 0.36 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 3hl6 n LYS 213 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 3hl6 n LYS 213 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31