#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl9 s ALA 11 N 0.00 2.11 0.17 0.00 0.00 -1.26 -4.71 121.76 118.08 3hl9 s ALA 11 Ca 0.00 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 3hl9 s ALA 11 Cb 0.00 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.82 3hl9 s ALA 11 CO 0.00 -1.87 1.62 -0.44 0.00 0.00 0.00 175.76 175.07 3hl9 h ASP 12 N -0.68 -0.85 -0.19 0.00 5.19 -2.00 0.61 116.42 118.50 3hl9 h ASP 12 Ca -0.46 0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 56.01 3hl9 h ASP 12 Cb 1.26 0.43 -0.01 0.00 0.18 0.00 0.00 39.33 41.19 3hl9 h ASP 12 CO 0.50 -0.27 -0.27 -0.65 -3.12 0.00 0.00 179.24 175.42 3hl9 h PRO 13 N -0.18 0.68 0.00 3.56 0.11 -1.92 -2.99 132.00 131.24 3hl9 h PRO 13 Ca 0.19 -0.29 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 3hl9 h PRO 13 Cb 0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3hl9 h PRO 13 CO -0.51 0.88 -0.50 0.28 -0.21 0.00 0.00 178.00 177.94 3hl9 h VAL 14 N 0.58 1.18 0.14 3.15 2.07 -1.60 -1.08 116.25 120.69 3hl9 h VAL 14 Ca 0.07 -1.82 -0.30 0.00 0.82 0.00 0.00 66.70 65.48 3hl9 h VAL 14 Cb 0.77 2.03 0.03 0.00 -1.52 0.00 0.00 31.29 32.59 3hl9 h VAL 14 CO 0.06 0.49 -1.27 -0.37 0.02 0.00 0.00 177.57 176.50 3hl9 h VAL 15 N 0.00 1.32 -0.66 2.57 -1.51 -0.94 -2.02 116.25 115.00 3hl9 h VAL 15 Ca -0.00 -2.58 -0.00 0.00 -1.23 0.00 0.00 66.70 62.88 3hl9 h VAL 15 Cb 0.99 2.76 -0.03 0.00 -2.13 0.00 0.00 31.29 32.88 3hl9 h VAL 15 CO 0.06 0.78 0.40 -0.07 -1.23 0.00 0.00 177.57 177.52 3hl9 h LEU 16 N 0.23 0.79 0.41 4.19 3.38 -1.46 -2.26 115.31 120.59 3hl9 h LEU 16 Ca -0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hl9 h LEU 16 Cb 1.94 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3hl9 h LEU 16 CO 0.24 0.62 -0.21 -0.03 0.09 0.00 0.00 178.44 179.15 3hl9 h MET 17 N 0.90 -0.54 -0.89 1.13 4.05 -1.27 -1.50 114.93 116.81 3hl9 h MET 17 Ca 0.24 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 3hl9 h MET 17 Cb -0.03 0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 30.84 3hl9 h MET 17 CO -0.05 -0.36 0.58 0.93 0.23 0.00 0.00 176.91 178.24 3hl9 h GLU 18 N -0.56 1.05 0.00 0.39 5.08 -1.18 -1.26 114.58 118.10 3hl9 h GLU 18 Ca -0.05 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.06 3hl9 h GLU 18 Cb 0.44 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3hl9 h GLU 18 CO 0.09 0.69 -0.89 1.79 -1.00 0.00 0.00 179.01 179.69 3hl9 h THR 19 N 1.08 1.62 -0.39 1.13 1.35 -1.42 -2.29 112.91 113.99 3hl9 h THR 19 Ca 0.36 -3.08 -0.01 0.00 -0.55 0.00 0.00 66.41 63.12 3hl9 h THR 19 Cb 0.07 2.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 3hl9 h THR 19 CO -0.11 0.88 0.18 0.00 -0.25 0.00 0.00 175.52 176.21 3hl9 h ALA 20 N 1.11 1.59 -0.25 6.62 0.00 -0.18 0.58 119.26 128.72 3hl9 h ALA 20 Ca -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hl9 h ALA 20 Cb 1.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3hl9 h ALA 20 CO 0.12 0.33 -0.08 0.74 0.00 0.00 0.00 179.25 180.36 3hl9 h PHE 21 N 0.54 0.57 -0.04 0.00 -1.00 -1.24 -2.77 116.94 112.99 3hl9 h PHE 21 Ca 0.14 -0.13 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 3hl9 h PHE 21 Cb 0.07 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 3hl9 h PHE 21 CO 0.00 0.73 -0.34 -0.09 -1.61 0.00 0.00 178.31 177.00 3hl9 h ARG 22 N 0.24 0.09 0.08 1.51 9.65 -0.75 -1.36 114.38 123.84 3hl9 h ARG 22 Ca 0.06 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3hl9 h ARG 22 Cb 0.55 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3hl9 h ARG 22 CO 0.03 0.42 -0.04 -0.22 2.80 0.00 0.00 179.97 182.96 3hl9 h LYS 23 N 0.08 -0.10 -0.20 0.20 3.64 0.09 -2.88 116.57 117.40 3hl9 h LYS 23 Ca 0.01 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3hl9 h LYS 23 Cb 0.64 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3hl9 h LYS 23 CO 0.05 0.04 -0.02 0.00 -2.27 0.00 0.00 179.45 177.24 3hl9 h ALA 24 N 0.70 1.60 -0.32 5.00 0.00 -1.08 -1.23 119.26 123.92 3hl9 h ALA 24 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3hl9 h ALA 24 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hl9 h ALA 24 CO 0.02 0.29 -0.12 0.28 0.00 0.00 0.00 179.25 179.72 3hl9 h VAL 25 N 0.28 1.29 0.04 0.00 2.07 -1.27 -1.18 116.25 117.48 3hl9 h VAL 25 Ca 0.07 -1.21 -0.27 0.00 0.82 0.00 0.00 66.70 66.11 3hl9 h VAL 25 Cb 0.23 1.39 0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3hl9 h VAL 25 CO 0.01 0.39 -1.09 0.50 0.02 0.00 0.00 177.57 177.40 3hl9 h LYS 26 N 0.43 0.60 -0.99 1.57 3.64 -1.24 -2.99 116.57 117.59 3hl9 h LYS 26 Ca 0.08 -0.70 -0.00 0.00 -1.27 0.00 0.00 60.65 58.75 3hl9 h LYS 26 Cb 0.64 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hl9 h LYS 26 CO 0.04 1.29 0.00 -1.13 -2.27 0.00 0.00 179.45 177.39 3hl9 n SER 27 N -3.80 1.50 -1.48 4.20 3.41 -0.50 -4.87 113.62 112.08 3hl9 n SER 27 Ca -0.11 -2.04 -0.15 0.00 -0.26 0.00 0.00 58.87 56.31 3hl9 n SER 27 Cb 0.91 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3hl9 n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hl9 n ARG 28 N 0.10 -1.36 0.04 4.33 3.00 -1.13 -4.86 116.66 116.77 3hl9 n ARG 28 Ca 0.01 0.90 -0.20 0.00 -0.01 0.00 0.00 57.85 58.55 3hl9 n ARG 28 Cb 0.33 -5.19 -0.11 0.00 0.00 0.00 0.00 32.46 27.48 3hl9 n ARG 28 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3hl9 h GLN 29 N 0.00 0.60 -5.68 5.56 4.20 -1.47 -3.44 115.11 114.89 3hl9 h GLN 29 Ca -0.32 -0.68 -0.48 0.00 0.06 0.00 0.00 58.65 57.23 3hl9 h GLN 29 Cb 1.01 0.20 -0.15 0.00 0.30 0.00 0.00 27.48 28.84 3hl9 h GLN 29 CO 0.46 1.28 -0.74 0.96 -0.67 0.00 0.00 178.83 180.11 3hl9 s ILE 30 N -3.20 1.83 0.14 2.54 -4.36 -0.86 -4.94 121.20 112.35 3hl9 s ILE 30 Ca -0.11 -2.19 -0.03 0.00 -0.26 0.00 0.00 60.65 58.06 3hl9 s ILE 30 Cb 0.06 -2.04 -0.16 0.00 1.25 0.00 0.00 42.46 41.56 3hl9 s ILE 30 CO 0.90 -0.54 1.34 -0.65 0.24 0.00 0.00 174.94 176.23 3hl9 h PRO 31 N 2.62 0.39 0.00 0.37 0.11 -1.88 -3.39 132.00 130.23 3hl9 h PRO 31 Ca -0.39 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.33 3hl9 h PRO 31 Cb 1.22 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3hl9 h PRO 31 CO 0.60 1.06 0.00 0.41 -0.21 0.00 0.00 178.00 179.86 3hl9 n GLY 32 N 0.84 1.40 3.62 -0.55 0.00 -1.25 -0.60 105.19 108.66 3hl9 n GLY 32 Ca -0.06 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 3hl9 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl9 s ALA 33 N -2.00 -1.76 -0.20 4.61 0.00 0.92 -4.61 121.76 118.72 3hl9 s ALA 33 Ca 0.00 1.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.88 3hl9 s ALA 33 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 3hl9 s ALA 33 CO 0.00 -0.34 0.04 0.08 0.00 0.00 0.00 175.76 175.54 3hl9 s VAL 34 N 0.32 4.33 0.09 0.00 1.01 -0.60 0.17 120.40 125.72 3hl9 s VAL 34 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.87 3hl9 s VAL 34 Cb -0.05 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3hl9 s VAL 34 CO 0.01 0.42 -0.19 0.27 0.00 0.00 0.00 175.10 175.61 3hl9 s ILE 35 N 0.90 1.58 -0.20 2.22 -4.36 -0.73 -0.27 121.20 120.33 3hl9 s ILE 35 Ca 0.02 -1.44 -0.15 0.00 -0.26 0.00 0.00 60.65 58.83 3hl9 s ILE 35 Cb -0.14 -1.44 0.06 0.00 1.25 0.00 0.00 42.46 42.19 3hl9 s ILE 35 CO 0.02 -0.06 0.50 -0.04 0.24 0.00 0.00 174.94 175.61 3hl9 s MET 36 N -1.76 0.54 0.05 0.37 -1.94 -0.63 -1.69 119.30 114.24 3hl9 s MET 36 Ca 0.05 0.80 0.03 0.00 -1.71 0.00 0.00 55.69 54.86 3hl9 s MET 36 Cb -0.10 0.17 -0.02 0.00 2.01 0.00 0.00 34.83 36.88 3hl9 s MET 36 CO 0.03 -0.11 -0.10 0.00 -0.01 0.00 0.00 175.02 174.84 3hl9 s ALA 37 N 0.82 0.76 0.11 3.03 0.00 -0.68 -0.92 121.76 124.88 3hl9 s ALA 37 Ca -0.04 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 3hl9 s ALA 37 Cb -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3hl9 s ALA 37 CO -0.07 0.05 0.32 1.03 0.00 0.00 0.00 175.76 177.09 3hl9 s ARG 38 N -1.51 0.97 0.25 0.00 3.00 -0.93 -2.37 118.95 118.36 3hl9 s ARG 38 Ca -0.06 -0.79 0.05 0.00 0.00 0.00 0.00 55.73 54.93 3hl9 s ARG 38 Cb -0.09 0.41 -0.05 0.00 0.00 0.00 0.00 34.95 35.22 3hl9 s ARG 38 CO 0.01 -0.35 -0.04 0.16 0.00 0.00 0.00 175.30 175.08 3hl9 s ASP 39 N -2.77 2.29 0.55 0.23 -4.77 -1.24 -1.38 116.67 109.58 3hl9 s ASP 39 Ca 0.03 -1.19 0.23 0.00 -3.30 0.00 0.00 52.55 48.32 3hl9 s ASP 39 Cb 0.03 -0.08 1.45 0.00 -1.09 0.00 0.00 42.92 43.23 3hl9 s ASP 39 CO -0.11 -0.42 2.11 0.00 0.70 0.00 0.00 175.17 177.46 3hl9 h ALA 40 N 2.40 2.03 0.00 2.11 0.00 -1.33 -2.49 119.26 121.97 3hl9 h ALA 40 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hl9 h ALA 40 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hl9 h ALA 40 CO 0.66 -0.23 0.00 0.43 0.00 0.00 0.00 179.25 180.11 3hl9 n SER 41 N -4.26 0.00 0.00 0.00 7.64 -1.26 -4.81 113.62 110.93 3hl9 n SER 41 Ca 0.01 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.36 3hl9 n SER 41 Cb 0.27 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3hl9 n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hl9 n GLY 42 N -0.28 1.19 0.30 0.23 0.00 -0.94 -4.87 105.19 100.83 3hl9 n GLY 42 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3hl9 n GLY 42 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hl9 h ASN 43 N 0.00 1.04 -2.72 1.61 7.08 -1.89 -3.41 115.58 117.29 3hl9 h ASN 43 Ca 0.00 -0.30 -0.53 0.00 -3.08 0.00 0.00 56.30 52.39 3hl9 h ASN 43 Cb 0.00 -0.28 0.02 0.00 -2.08 0.00 0.00 38.32 35.98 3hl9 h ASN 43 CO 0.00 1.08 0.97 -0.22 -2.08 0.00 0.00 177.43 177.18 3hl9 s LEU 44 N -9.37 4.36 -0.45 6.14 2.96 -1.26 -4.95 118.68 116.11 3hl9 s LEU 44 Ca -0.12 2.46 0.05 0.00 -0.22 0.00 0.00 54.13 56.31 3hl9 s LEU 44 Cb 0.13 -3.57 0.19 0.00 0.50 0.00 0.00 46.19 43.45 3hl9 s LEU 44 CO 0.85 -0.87 0.52 -3.20 -1.32 0.00 0.00 176.35 172.34 3hl9 n ASN 45 N 5.45 -1.53 -4.71 3.68 2.85 -1.26 -3.60 115.26 116.14 3hl9 n ASN 45 Ca 0.15 -2.64 -0.35 0.00 -0.11 0.00 0.00 54.58 51.63 3hl9 n ASN 45 Cb 0.41 0.33 -0.09 0.00 1.24 0.00 0.00 39.78 41.67 3hl9 n ASN 45 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3hl9 s TYR 46 N 0.23 3.32 -0.30 1.20 5.04 -1.00 -5.04 117.35 120.80 3hl9 s TYR 46 Ca 0.32 0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 55.12 3hl9 s TYR 46 Cb 0.05 -1.98 0.19 0.00 0.35 0.00 0.00 41.96 40.57 3hl9 s TYR 46 CO -0.15 0.38 0.75 -0.08 -1.34 0.00 0.00 175.55 175.11 3hl9 s THR 47 N -0.28 -0.78 -0.05 4.34 -1.32 -1.26 -1.69 115.64 114.61 3hl9 s THR 47 Ca 0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3hl9 s THR 47 Cb -0.12 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 3hl9 s THR 47 CO 0.01 0.00 -0.03 -0.13 -2.21 0.00 0.00 174.62 172.27 3hl9 s ARG 48 N 2.89 0.69 -0.06 7.08 1.81 -0.68 -5.03 118.95 125.65 3hl9 s ARG 48 Ca 0.14 -0.03 -0.05 0.00 -1.72 0.00 0.00 55.73 54.06 3hl9 s ARG 48 Cb -0.13 -0.80 -0.04 0.00 -0.45 0.00 0.00 34.95 33.53 3hl9 s ARG 48 CO -0.18 -0.13 0.17 0.00 -0.68 0.00 0.00 175.30 174.48 3hl9 s PHE 50 N -1.19 0.65 0.00 0.00 0.08 0.13 -5.00 117.98 112.65 3hl9 s PHE 50 Ca 0.22 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.12 3hl9 s PHE 50 Cb -0.12 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 3hl9 s PHE 50 CO 0.12 -0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.55 3hl9 n GLY 51 N 3.53 -1.24 3.76 4.36 0.00 -1.26 -0.05 105.19 114.29 3hl9 n GLY 51 Ca -0.20 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3hl9 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl9 s ALA 52 N -1.08 3.51 -0.59 4.61 0.00 0.24 -2.67 121.76 125.78 3hl9 s ALA 52 Ca 0.00 -1.11 0.25 0.00 0.00 0.00 0.00 51.96 51.10 3hl9 s ALA 52 Cb 0.00 -1.36 0.67 0.00 0.00 0.00 0.00 23.12 22.44 3hl9 s ALA 52 CO 0.00 0.65 1.72 0.07 0.00 0.00 0.00 175.76 178.20 3hl9 h ARG 53 N 3.01 0.00 -4.93 0.00 0.11 -1.38 -3.32 114.38 107.86 3hl9 h ARG 53 Ca -0.47 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.11 3hl9 h ARG 53 Cb 1.18 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.12 3hl9 h ARG 53 CO 0.64 0.00 -0.50 -0.08 0.10 0.00 0.00 179.97 180.13 3hl9 s THR 54 N -3.17 0.18 -0.48 0.08 -1.32 -1.26 -3.16 115.64 106.50 3hl9 s THR 54 Ca 0.09 -2.00 0.13 0.00 -1.21 0.00 0.00 61.69 58.70 3hl9 s THR 54 Cb 0.09 -2.44 -0.16 0.00 -1.51 0.00 0.00 72.50 68.49 3hl9 s THR 54 CO 0.61 0.00 0.50 1.33 -2.21 0.00 0.00 174.62 174.85 3hl9 n VAL 55 N -0.71 0.00 -2.93 5.08 0.24 -1.26 -4.93 118.33 113.82 3hl9 n VAL 55 Ca 0.03 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.70 3hl9 n VAL 55 Cb 0.63 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 3hl9 n VAL 55 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hl9 s ARG 56 N -2.41 4.28 0.24 7.34 3.52 -1.26 -4.95 118.95 125.70 3hl9 s ARG 56 Ca 0.03 0.95 -0.30 0.00 -0.13 0.00 0.00 55.73 56.28 3hl9 s ARG 56 Cb 0.10 -3.58 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 3hl9 s ARG 56 CO 0.55 -0.32 1.16 1.03 -0.81 0.00 0.00 175.30 176.91 3hl9 s ARG 57 N 2.14 4.55 0.17 5.12 0.52 -1.26 -4.83 118.95 125.36 3hl9 s ARG 57 Ca 0.36 1.87 -0.03 0.00 -0.52 0.00 0.00 55.73 57.41 3hl9 s ARG 57 Cb -0.16 -3.21 0.04 0.00 0.52 0.00 0.00 34.95 32.14 3hl9 s ARG 57 CO 0.12 0.04 0.15 -0.40 0.02 0.00 0.00 175.30 175.22 3hl9 n ASP 58 N 1.78 -1.30 0.30 0.23 5.68 -1.17 -4.87 116.55 117.21 3hl9 n ASP 58 Ca 0.01 -0.53 0.16 0.00 -0.50 0.00 0.00 54.79 53.94 3hl9 n ASP 58 Cb 0.44 -0.14 0.96 0.00 -1.14 0.00 0.00 41.12 41.25 3hl9 n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hl9 h GLU 59 N 0.00 0.00 -0.65 0.11 3.07 -1.96 -2.91 114.58 112.23 3hl9 h GLU 59 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3hl9 h GLU 59 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3hl9 h GLU 59 CO 0.04 0.01 0.00 0.09 -1.40 0.00 0.00 179.01 177.75 3hl9 n ASN 60 N -3.65 3.80 -0.97 1.42 4.13 -1.26 -4.97 115.26 113.75 3hl9 n ASN 60 Ca -0.03 -2.02 -0.13 0.00 1.68 0.00 0.00 54.58 54.08 3hl9 n ASN 60 Cb 0.10 -0.44 -0.05 0.00 -1.54 0.00 0.00 39.78 37.84 3hl9 n ASN 60 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3hl9 n ASN 61 N 1.39 -4.50 -4.28 6.41 5.15 -1.10 -5.01 115.26 113.33 3hl9 n ASN 61 Ca 0.22 0.30 -0.22 0.00 -0.60 0.00 0.00 54.58 54.28 3hl9 n ASN 61 Cb 0.60 -3.12 -0.12 0.00 -0.53 0.00 0.00 39.78 36.61 3hl9 n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hl9 s GLN 62 N -3.10 1.12 -0.26 1.20 -2.07 -1.26 -4.97 119.66 110.32 3hl9 s GLN 62 Ca 0.00 -1.20 -0.06 0.00 -1.82 0.00 0.00 55.36 52.28 3hl9 s GLN 62 Cb 0.00 -1.29 -0.01 0.00 -1.09 0.00 0.00 33.01 30.62 3hl9 s GLN 62 CO 0.00 0.29 0.05 -0.48 -1.32 0.00 0.00 175.29 173.83 3hl9 s LEU 63 N -2.09 3.49 0.27 2.60 0.05 -1.26 -3.04 118.68 118.70 3hl9 s LEU 63 Ca 0.08 -0.45 -0.30 0.00 0.05 0.00 0.00 54.13 53.51 3hl9 s LEU 63 Cb -0.09 -1.87 -0.13 0.00 -2.05 0.00 0.00 46.19 42.06 3hl9 s LEU 63 CO 0.04 -0.10 1.43 -0.81 -0.55 0.00 0.00 176.35 176.37 3hl9 n PRO 64 N 4.88 2.20 -2.87 1.48 -0.04 -1.26 -4.75 135.00 134.63 3hl9 n PRO 64 Ca -0.16 0.78 -0.34 0.00 -0.04 0.00 0.00 63.50 63.74 3hl9 n PRO 64 Cb 0.50 -2.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.44 3hl9 n PRO 64 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3hl9 s PRO 65 N -0.70 4.29 0.58 0.54 0.04 -1.26 -1.22 135.00 137.27 3hl9 s PRO 65 Ca 0.65 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 3hl9 s PRO 65 Cb -0.60 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 3hl9 s PRO 65 CO 0.52 0.10 0.98 -0.48 0.04 0.00 0.00 177.00 178.15 3hl9 s LEU 66 N -2.80 3.37 0.19 -3.56 0.05 -1.09 -4.43 118.68 110.40 3hl9 s LEU 66 Ca 0.57 1.37 -0.24 0.00 0.05 0.00 0.00 54.13 55.88 3hl9 s LEU 66 Cb -0.12 -4.38 0.05 0.00 -2.05 0.00 0.00 46.19 39.69 3hl9 s LEU 66 CO 0.17 -0.77 0.90 0.00 -0.55 0.00 0.00 176.35 176.09 3hl9 s GLN 67 N -4.90 1.36 0.65 1.48 -2.07 -1.26 -4.67 119.66 110.25 3hl9 s GLN 67 Ca 0.55 -0.76 0.42 0.00 -1.82 0.00 0.00 55.36 53.75 3hl9 s GLN 67 Cb -0.11 0.46 2.31 0.00 -1.09 0.00 0.00 33.01 34.59 3hl9 s GLN 67 CO 0.48 -0.63 2.35 -0.39 -1.32 0.00 0.00 175.29 175.79 3hl9 h VAL 68 N 2.00 0.10 -0.03 3.63 -1.51 -1.98 0.93 116.25 119.39 3hl9 h VAL 68 Ca -0.23 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 3hl9 h VAL 68 Cb 1.24 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 3hl9 h VAL 68 CO 0.25 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.69 3hl9 n ASP 69 N -3.22 2.63 -4.71 4.19 5.68 -1.26 -1.64 116.55 118.21 3hl9 n ASP 69 Ca -0.03 -1.87 -0.42 0.00 -0.50 0.00 0.00 54.79 51.97 3hl9 n ASP 69 Cb 0.08 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 3hl9 n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hl9 s THR 70 N -1.99 3.32 0.02 2.12 2.01 0.32 -4.65 115.64 116.79 3hl9 s THR 70 Ca 0.31 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 3hl9 s THR 70 Cb 0.20 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 3hl9 s THR 70 CO 0.31 0.06 1.31 -2.84 -0.69 0.00 0.00 174.62 172.77 3hl9 s PRO 71 N 1.36 4.34 0.02 4.92 0.02 -1.26 -3.84 135.00 140.55 3hl9 s PRO 71 Ca 0.65 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.56 3hl9 s PRO 71 Cb -0.36 -3.48 -0.01 0.00 0.02 0.00 0.00 34.50 30.66 3hl9 s PRO 71 CO 0.30 -0.46 -0.06 0.00 -0.33 0.00 0.00 177.00 176.45 3hl9 s ARG 73 N -0.87 3.96 0.28 0.00 1.70 -1.26 -1.24 118.95 121.53 3hl9 s ARG 73 Ca -0.05 1.38 0.05 0.00 -0.47 0.00 0.00 55.73 56.64 3hl9 s ARG 73 Cb -0.06 -3.88 0.41 0.00 -0.57 0.00 0.00 34.95 30.86 3hl9 s ARG 73 CO 0.00 -1.06 1.68 -0.07 -1.08 0.00 0.00 175.30 174.77 3hl9 h LEU 74 N 10.74 0.30 0.00 -1.89 3.38 -1.56 -3.45 115.31 122.83 3hl9 h LEU 74 Ca -0.27 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hl9 h LEU 74 Cb 1.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3hl9 h LEU 74 CO 1.02 0.69 0.00 0.00 0.09 0.00 0.00 178.44 180.24 3hl9 n ALA 75 N -2.48 0.00 0.19 1.53 0.00 -1.25 -1.27 120.51 117.24 3hl9 n ALA 75 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.44 3hl9 n ALA 75 Cb 0.49 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.04 3hl9 n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hl9 n SER 76 N 3.00 0.00 -0.17 0.00 7.64 -1.26 -0.31 113.62 122.51 3hl9 n SER 76 Ca 0.00 0.19 0.15 0.00 1.01 0.00 0.00 58.87 60.22 3hl9 n SER 76 Cb 0.00 -0.25 0.79 0.00 -1.01 0.00 0.00 64.21 63.73 3hl9 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hl9 n ALA 77 N -1.25 2.65 0.23 -0.43 0.00 -0.39 -3.68 120.51 117.62 3hl9 n ALA 77 Ca 0.02 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.27 3hl9 n ALA 77 Cb 0.03 -1.39 0.50 0.00 0.00 0.00 0.00 19.45 18.60 3hl9 n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hl9 h THR 78 N 0.85 0.65 -0.82 0.00 2.02 -0.83 -3.36 112.91 111.42 3hl9 h THR 78 Ca 0.00 -1.05 0.12 0.00 0.77 0.00 0.00 66.41 66.26 3hl9 h THR 78 Cb 0.18 1.68 -0.08 0.00 -1.74 0.00 0.00 68.15 68.18 3hl9 h THR 78 CO 0.00 0.23 0.43 0.11 0.37 0.00 0.00 175.52 176.66 3hl9 h LYS 79 N 0.00 0.64 -0.30 6.66 1.57 -1.71 -0.95 116.57 122.49 3hl9 h LYS 79 Ca -0.00 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3hl9 h LYS 79 Cb 0.66 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 3hl9 h LYS 79 CO 0.03 0.42 -0.22 1.25 -0.57 0.00 0.00 179.45 180.37 3hl9 h LEU 80 N 0.66 -0.71 -0.30 2.94 5.85 -1.81 0.33 115.31 122.26 3hl9 h LEU 80 Ca 0.43 0.14 0.07 0.00 0.84 0.00 0.00 57.88 59.35 3hl9 h LEU 80 Cb 0.53 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 3hl9 h LEU 80 CO -0.32 -0.25 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.11 3hl9 h LEU 81 N -0.19 -1.14 -0.62 2.25 3.38 -1.43 0.55 115.31 118.11 3hl9 h LEU 81 Ca 0.16 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.38 3hl9 h LEU 81 Cb 0.43 0.51 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3hl9 h LEU 81 CO -0.41 -0.35 0.31 0.74 0.09 0.00 0.00 178.44 178.82 3hl9 h THR 82 N -0.32 0.90 -0.40 0.22 2.02 -1.34 0.21 112.91 114.19 3hl9 h THR 82 Ca 0.14 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3hl9 h THR 82 Cb 0.56 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3hl9 h THR 82 CO -0.48 0.10 0.27 0.74 0.37 0.00 0.00 175.52 176.52 3hl9 h THR 83 N 0.56 1.07 0.49 3.16 2.02 0.21 -0.66 112.91 119.77 3hl9 h THR 83 Ca 0.29 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3hl9 h THR 83 Cb 0.24 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3hl9 h THR 83 CO -0.22 0.09 -0.24 0.40 0.37 0.00 0.00 175.52 175.93 3hl9 h ILE 84 N 0.50 0.43 -0.35 3.11 2.04 0.11 -3.09 117.51 120.26 3hl9 h ILE 84 Ca 0.15 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.74 3hl9 h ILE 84 Cb 0.01 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3hl9 h ILE 84 CO -0.04 0.05 0.28 0.24 0.00 0.00 0.00 178.15 178.69 3hl9 h MET 85 N -0.91 0.00 -0.10 2.37 2.86 0.26 0.10 114.93 119.50 3hl9 h MET 85 Ca -0.07 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3hl9 h MET 85 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3hl9 h MET 85 CO 0.11 0.00 -0.17 0.00 1.06 0.00 0.00 176.91 177.91 3hl9 h ALA 86 N 1.77 0.16 0.00 6.32 0.00 -1.24 -2.83 119.26 123.44 3hl9 h ALA 86 Ca 0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hl9 h ALA 86 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hl9 h ALA 86 CO -0.00 0.07 -0.02 -0.07 0.00 0.00 0.00 179.25 179.23 3hl9 h LEU 87 N -0.14 0.00 -0.12 0.00 3.38 -0.79 0.46 115.31 118.10 3hl9 h LEU 87 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hl9 h LEU 87 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hl9 h LEU 87 CO 0.04 0.02 -0.03 1.56 0.09 0.00 0.00 178.44 180.12 3hl9 h GLN 88 N 0.00 0.24 -0.13 1.13 4.20 -1.03 -1.73 115.11 117.78 3hl9 h GLN 88 Ca -0.00 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3hl9 h GLN 88 Cb 0.45 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3hl9 h GLN 88 CO 0.00 0.54 -0.23 0.00 -0.67 0.00 0.00 178.83 178.47 3hl9 h MET 90 N 0.21 0.28 0.18 0.00 1.85 -0.89 -2.20 114.93 114.36 3hl9 h MET 90 Ca 0.04 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.07 3hl9 h MET 90 Cb 0.53 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.48 3hl9 h MET 90 CO 0.04 0.41 -0.44 0.93 -0.40 0.00 0.00 176.91 177.44 3hl9 h GLU 91 N 0.09 -0.69 0.00 0.39 5.08 -1.19 -3.05 114.58 115.21 3hl9 h GLU 91 Ca 0.05 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hl9 h GLU 91 Cb 0.25 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hl9 h GLU 91 CO -0.00 -0.46 0.00 0.54 -1.00 0.00 0.00 179.01 178.09 3hl9 n ARG 92 N -5.48 0.07 -0.01 2.33 1.74 -0.60 -4.81 116.66 109.90 3hl9 n ARG 92 Ca -0.08 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3hl9 n ARG 92 Cb 0.39 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3hl9 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hl9 n GLY 93 N -0.83 0.48 0.26 -0.13 0.00 -1.11 -4.95 105.19 98.92 3hl9 n GLY 93 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3hl9 n GLY 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hl9 h LEU 94 N 0.00 0.00 0.00 0.99 3.38 -1.65 -3.45 115.31 114.58 3hl9 h LEU 94 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3hl9 h LEU 94 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3hl9 h LEU 94 CO 0.00 0.11 -0.14 1.33 0.09 0.00 0.00 178.44 179.82 3hl9 n VAL 95 N -3.75 0.00 -3.72 1.22 0.24 -1.20 -5.00 118.33 106.12 3hl9 n VAL 95 Ca -0.02 -1.08 -0.12 0.00 -2.04 0.00 0.00 64.34 61.07 3hl9 n VAL 95 Cb 0.21 0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 3hl9 n VAL 95 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hl9 s ASP 96 N -2.19 -0.46 0.37 -1.34 2.15 -1.26 -4.62 116.67 109.32 3hl9 s ASP 96 Ca 0.18 0.86 0.13 0.00 0.43 0.00 0.00 52.55 54.14 3hl9 s ASP 96 Cb 0.00 0.84 0.94 0.00 -0.30 0.00 0.00 42.92 44.40 3hl9 s ASP 96 CO 0.13 -0.16 1.81 -0.07 -0.17 0.00 0.00 175.17 176.71 3hl9 h LEU 97 N 5.88 0.57 -1.35 -1.34 3.38 -1.96 -2.03 115.31 118.45 3hl9 h LEU 97 Ca -0.29 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hl9 h LEU 97 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3hl9 h LEU 97 CO 0.26 0.20 -0.23 0.47 0.09 0.00 0.00 178.44 179.23 3hl9 n ASP 98 N -4.63 2.29 -4.77 -0.43 8.00 -1.26 -1.08 116.55 114.68 3hl9 n ASP 98 Ca 0.22 -1.65 -0.41 0.00 0.71 0.00 0.00 54.79 53.66 3hl9 n ASP 98 Cb 0.67 0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 42.02 3hl9 n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hl9 s GLU 99 N -2.04 4.21 -0.08 -1.24 2.12 -0.77 -4.87 118.70 116.04 3hl9 s GLU 99 Ca 0.20 2.43 -0.30 0.00 0.36 0.00 0.00 54.97 57.66 3hl9 s GLU 99 Cb 0.17 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 3hl9 s GLU 99 CO 0.40 -0.43 1.61 0.99 -0.54 0.00 0.00 175.26 177.29 3hl9 s THR 100 N -0.81 3.67 0.25 -1.70 2.01 -1.26 -3.98 115.64 113.82 3hl9 s THR 100 Ca 0.54 0.81 0.07 0.00 0.31 0.00 0.00 61.69 63.41 3hl9 s THR 100 Cb -0.44 -3.53 0.29 0.00 0.01 0.00 0.00 72.50 68.84 3hl9 s THR 100 CO 0.55 -0.08 1.17 0.55 -0.69 0.00 0.00 174.62 176.12 3hl9 n VAL 101 N 5.51 -0.31 0.30 3.82 3.14 0.30 -2.85 118.33 128.24 3hl9 n VAL 101 Ca 0.17 1.59 0.11 0.00 -2.96 0.00 0.00 64.34 63.25 3hl9 n VAL 101 Cb 0.43 -2.41 0.53 0.00 -1.06 0.00 0.00 33.84 31.32 3hl9 n VAL 101 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 3hl9 h ASP 102 N 0.00 0.00 0.51 6.55 3.04 -1.80 0.24 116.42 124.96 3hl9 h ASP 102 Ca 0.52 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.29 3hl9 h ASP 102 Cb 1.20 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.48 3hl9 h ASP 102 CO -0.65 0.00 -0.33 -0.09 -2.04 0.00 0.00 179.24 176.13 3hl9 h ARG 103 N 0.00 -0.78 0.00 4.15 2.43 -1.93 -2.82 114.38 115.44 3hl9 h ARG 103 Ca 0.03 0.05 -0.26 0.00 -0.81 0.00 0.00 59.98 58.98 3hl9 h ARG 103 Cb 1.21 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.90 3hl9 h ARG 103 CO -0.00 -0.52 -1.47 -0.07 -1.51 0.00 0.00 179.97 176.41 3hl9 h LEU 104 N -0.80 0.01 -5.80 3.80 -0.00 -0.89 -3.41 115.31 108.22 3hl9 h LEU 104 Ca -0.06 -0.02 -0.57 0.00 -0.00 0.00 0.00 57.88 57.23 3hl9 h LEU 104 Cb 0.66 -0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.91 3hl9 h LEU 104 CO 0.05 1.02 -0.80 0.18 -0.00 0.00 0.00 178.44 178.89 3hl9 n LEU 105 N -3.16 2.93 -0.29 1.67 4.77 -0.09 -4.92 117.00 117.91 3hl9 n LEU 105 Ca -0.11 -5.34 -0.05 0.00 -0.03 0.00 0.00 56.01 50.48 3hl9 n LEU 105 Cb 1.01 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 3hl9 n LEU 105 CO 0.46 2.21 1.14 -0.65 -1.33 0.00 0.00 177.39 179.23 3hl9 h PRO 106 N 3.49 1.10 -0.24 3.23 0.11 -1.73 -1.50 132.00 136.46 3hl9 h PRO 106 Ca 0.14 -0.12 0.06 0.00 0.11 0.00 0.00 66.00 66.19 3hl9 h PRO 106 Cb 0.69 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3hl9 h PRO 106 CO 0.71 0.80 0.17 0.38 -0.21 0.00 0.00 178.00 179.85 3hl9 h ASP 107 N 1.10 0.03 -0.00 -2.05 2.03 -1.91 0.48 116.42 116.10 3hl9 h ASP 107 Ca 0.28 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.40 3hl9 h ASP 107 Cb 0.01 -0.01 0.01 0.00 -0.83 0.00 0.00 39.33 38.52 3hl9 h ASP 107 CO -0.05 0.02 -0.70 0.25 -1.03 0.00 0.00 179.24 177.74 3hl9 h LEU 108 N 0.04 0.61 -1.61 0.15 5.85 -1.71 -3.13 115.31 115.51 3hl9 h LEU 108 Ca 0.11 -0.76 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 3hl9 h LEU 108 Cb 0.41 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3hl9 h LEU 108 CO -0.01 1.29 -0.07 -1.28 -0.34 0.00 0.00 178.44 178.03 3hl9 h SER 109 N 0.00 0.00 0.37 1.25 0.87 -0.49 -1.66 113.55 113.90 3hl9 h SER 109 Ca -0.09 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.30 3hl9 h SER 109 Cb 1.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 3hl9 h SER 109 CO 0.14 0.07 -0.71 0.00 -0.53 0.00 0.00 176.83 175.80 3hl9 h ALA 110 N 1.93 0.68 -1.90 6.23 0.00 -0.15 -3.46 119.26 122.59 3hl9 h ALA 110 Ca -0.00 -0.61 -0.63 0.00 0.00 0.00 0.00 54.91 53.67 3hl9 h ALA 110 Cb 0.49 -0.07 0.08 0.00 0.00 0.00 0.00 17.79 18.29 3hl9 h ALA 110 CO 0.01 0.78 0.31 -1.33 0.00 0.00 0.00 179.25 179.02 3hl9 n MET 111 N -3.81 1.36 -2.16 0.00 2.00 -0.63 -4.99 117.12 108.89 3hl9 n MET 111 Ca -0.03 0.48 -0.27 0.00 0.00 0.00 0.00 57.70 57.88 3hl9 n MET 111 Cb 0.69 -1.99 0.12 0.00 0.00 0.00 0.00 33.22 32.04 3hl9 n MET 111 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3hl9 s PRO 112 N -0.58 1.53 -0.16 0.03 0.04 -1.26 -4.75 135.00 129.85 3hl9 s PRO 112 Ca 0.70 -0.46 -0.07 0.00 0.04 0.00 0.00 61.00 61.21 3hl9 s PRO 112 Cb -0.79 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3hl9 s PRO 112 CO 0.53 -1.72 0.06 0.54 0.04 0.00 0.00 177.00 176.46 3hl9 s VAL 113 N -3.48 4.83 -0.29 -0.36 0.11 0.20 -2.38 120.40 119.02 3hl9 s VAL 113 Ca 0.66 -0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 59.41 3hl9 s VAL 113 Cb -0.07 -3.15 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 3hl9 s VAL 113 CO 0.48 0.50 0.97 -0.22 -3.33 0.00 0.00 175.10 173.50 3hl9 s LEU 114 N -0.01 4.02 -0.13 2.54 0.20 0.14 -1.72 118.68 123.71 3hl9 s LEU 114 Ca 0.06 1.00 -0.21 0.00 0.69 0.00 0.00 54.13 55.68 3hl9 s LEU 114 Cb -0.12 -3.39 -0.25 0.00 -0.43 0.00 0.00 46.19 42.00 3hl9 s LEU 114 CO 0.01 -0.74 0.56 -0.08 -0.29 0.00 0.00 176.35 175.81 3hl9 h GLU 115 N 7.95 0.14 0.00 1.98 4.81 -1.80 -3.42 114.58 124.23 3hl9 h GLU 115 Ca -0.21 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3hl9 h GLU 115 Cb 1.07 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3hl9 h GLU 115 CO 0.97 1.11 0.00 0.41 -0.73 0.00 0.00 179.01 180.77 3hl9 n GLY 116 N 1.63 -0.99 3.43 1.92 0.00 -1.20 -5.08 105.19 104.90 3hl9 n GLY 116 Ca -0.22 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 3hl9 n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hl9 s PHE 117 N -3.00 2.28 0.00 1.61 0.40 -1.26 -1.45 117.98 116.55 3hl9 s PHE 117 Ca 0.00 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 3hl9 s PHE 117 Cb 0.00 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.43 3hl9 s PHE 117 CO 0.00 0.54 0.00 -0.40 0.70 0.00 0.00 175.22 176.06 3hl9 n ASP 118 N 0.08 0.00 0.00 1.36 5.75 -1.05 -4.89 116.55 117.80 3hl9 n ASP 118 Ca -0.11 -0.13 -0.22 0.00 -0.01 0.00 0.00 54.79 54.32 3hl9 n ASP 118 Cb 0.57 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.52 3hl9 n ASP 118 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hl9 h ASP 119 N 0.00 0.40 0.04 -1.12 3.32 -2.02 -3.09 116.42 113.95 3hl9 h ASP 119 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.16 3hl9 h ASP 119 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3hl9 h ASP 119 CO 0.00 1.78 0.00 0.00 -1.72 0.00 0.00 179.24 179.30 3hl9 n ALA 120 N -3.02 1.06 -0.06 3.45 0.00 -1.26 -4.85 120.51 115.83 3hl9 n ALA 120 Ca -0.30 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3hl9 n ALA 120 Cb 0.99 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3hl9 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl9 n GLY 121 N -1.33 1.00 3.56 0.00 0.00 -1.17 -5.03 105.19 102.23 3hl9 n GLY 121 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3hl9 n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hl9 n ASN 122 N 0.00 0.47 -4.65 1.61 3.02 -1.26 -4.51 115.26 109.94 3hl9 n ASN 122 Ca 0.00 0.93 -0.42 0.00 -0.03 0.00 0.00 54.58 55.06 3hl9 n ASN 122 Cb 0.00 -1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 37.85 3hl9 n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hl9 s ALA 123 N -1.41 3.41 -0.21 5.41 0.00 -1.26 -2.54 121.76 125.16 3hl9 s ALA 123 Ca 0.66 1.19 -0.15 0.00 0.00 0.00 0.00 51.96 53.66 3hl9 s ALA 123 Cb -0.53 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 3hl9 s ALA 123 CO 0.55 -1.82 0.37 0.50 0.00 0.00 0.00 175.76 175.36 3hl9 s ARG 124 N 4.84 4.16 0.05 0.00 3.52 -0.53 -4.94 118.95 126.04 3hl9 s ARG 124 Ca 0.90 0.14 0.04 0.00 -0.13 0.00 0.00 55.73 56.69 3hl9 s ARG 124 Cb -0.40 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.43 3hl9 s ARG 124 CO 0.40 -0.02 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.56 3hl9 s LEU 125 N 1.27 2.20 -0.01 -0.88 2.96 -1.26 -2.52 118.68 120.45 3hl9 s LEU 125 Ca 0.17 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3hl9 s LEU 125 Cb -0.15 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.04 3hl9 s LEU 125 CO 0.07 -0.02 0.13 -0.60 -1.32 0.00 0.00 176.35 174.61 3hl9 s ARG 126 N -1.30 0.42 0.64 1.98 3.52 -0.70 -4.90 118.95 118.61 3hl9 s ARG 126 Ca -0.01 -0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 55.16 3hl9 s ARG 126 Cb -0.08 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.46 3hl9 s ARG 126 CO 0.01 -0.10 1.04 -1.83 -0.81 0.00 0.00 175.30 173.62 3hl9 s GLU 127 N -1.16 3.38 -0.20 5.12 -1.05 -1.26 -0.63 118.70 122.89 3hl9 s GLU 127 Ca -0.13 0.85 -0.29 0.00 -0.15 0.00 0.00 54.97 55.25 3hl9 s GLU 127 Cb -0.07 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 3hl9 s GLU 127 CO 0.01 -0.75 1.02 0.50 0.95 0.00 0.00 175.26 177.00 3hl9 s ARG 128 N -5.03 4.29 0.05 -4.83 3.52 -1.26 -4.76 118.95 110.92 3hl9 s ARG 128 Ca 0.57 1.34 -0.30 0.00 -0.13 0.00 0.00 55.73 57.21 3hl9 s ARG 128 Cb -0.12 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 3hl9 s ARG 128 CO 0.52 -0.55 1.11 1.03 -0.81 0.00 0.00 175.30 176.61 3hl9 s ARG 129 N 2.90 4.49 0.00 5.12 0.52 -1.26 -4.82 118.95 125.90 3hl9 s ARG 129 Ca 0.45 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 3hl9 s ARG 129 Cb -0.16 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.93 3hl9 s ARG 129 CO 0.09 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.66 3hl9 n GLY 130 N 3.03 -0.15 3.20 -3.53 0.00 -1.26 -4.38 105.19 102.09 3hl9 n GLY 130 Ca 0.07 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3hl9 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hl9 s LYS 131 N -1.26 1.17 -0.07 1.61 -0.14 -1.26 -4.95 119.74 114.84 3hl9 s LYS 131 Ca 0.00 -1.61 0.01 0.00 -1.36 0.00 0.00 55.97 53.01 3hl9 s LYS 131 Cb 0.00 0.26 0.02 0.00 -1.68 0.00 0.00 37.83 36.43 3hl9 s LYS 131 CO 0.00 -0.37 -0.09 -1.50 -0.76 0.00 0.00 175.35 172.63 3hl9 s ILE 132 N -4.14 0.97 0.35 2.17 2.07 -1.26 -4.80 121.20 116.55 3hl9 s ILE 132 Ca 0.37 -0.34 0.08 0.00 -1.41 0.00 0.00 60.65 59.34 3hl9 s ILE 132 Cb 0.07 -0.93 -0.07 0.00 0.13 0.00 0.00 42.46 41.66 3hl9 s ILE 132 CO 0.11 0.33 -0.04 0.42 -1.91 0.00 0.00 174.94 173.84 3hl9 s THR 133 N 1.01 1.95 0.33 4.00 -4.23 -1.26 -0.54 115.64 116.90 3hl9 s THR 133 Ca -0.08 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.34 3hl9 s THR 133 Cb -0.15 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 71.17 3hl9 s THR 133 CO -0.00 -0.15 1.91 0.25 -0.54 0.00 0.00 174.62 176.08 3hl9 h LEU 134 N 2.02 0.59 -0.81 4.79 7.12 -1.53 -1.36 115.31 126.14 3hl9 h LEU 134 Ca -0.42 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 57.50 3hl9 h LEU 134 Cb 1.24 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 41.18 3hl9 h LEU 134 CO 0.72 0.58 0.48 -0.09 -0.13 0.00 0.00 178.44 180.00 3hl9 h ARG 135 N 0.64 1.10 -0.67 1.25 2.43 -1.44 -1.78 114.38 115.90 3hl9 h ARG 135 Ca 0.15 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3hl9 h ARG 135 Cb 0.21 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3hl9 h ARG 135 CO -0.01 0.78 0.44 0.45 -1.51 0.00 0.00 179.97 180.12 3hl9 h HIS 136 N 1.11 0.83 0.31 2.20 3.86 -1.54 -2.65 115.15 119.27 3hl9 h HIS 136 Ca 0.29 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 3hl9 h HIS 136 Cb -0.03 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.16 3hl9 h HIS 136 CO -0.00 0.51 -0.15 -0.07 0.86 0.00 0.00 177.93 179.07 3hl9 h LEU 137 N 0.89 -0.35 -2.40 2.43 3.38 -1.03 0.92 115.31 119.15 3hl9 h LEU 137 Ca 0.25 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3hl9 h LEU 137 Cb -0.07 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hl9 h LEU 137 CO -0.07 -0.25 -0.03 -0.07 0.09 0.00 0.00 178.44 178.11 3hl9 h LEU 138 N -0.41 0.00 -2.82 1.67 3.38 -1.25 -2.14 115.31 113.74 3hl9 h LEU 138 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hl9 h LEU 138 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hl9 h LEU 138 CO 0.07 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.98 3hl9 n THR 139 N -3.40 1.01 -3.22 0.22 -2.24 -1.01 -4.07 114.28 101.57 3hl9 n THR 139 Ca -0.02 -1.01 -0.23 0.00 -2.27 0.00 0.00 64.05 60.52 3hl9 n THR 139 Cb 0.15 0.49 0.02 0.00 -2.10 0.00 0.00 70.33 68.89 3hl9 n THR 139 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hl9 n HIS 140 N 1.12 -1.94 -1.09 4.78 8.25 -0.80 -4.85 115.22 120.69 3hl9 n HIS 140 Ca 0.19 0.53 0.10 0.00 -0.26 0.00 0.00 57.72 58.27 3hl9 n HIS 140 Cb 0.54 -3.82 0.15 0.00 1.12 0.00 0.00 29.99 27.98 3hl9 n HIS 140 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hl9 n THR 141 N -4.28 1.92 0.48 1.59 -1.04 0.29 -1.45 114.28 111.78 3hl9 n THR 141 Ca -0.06 -2.29 0.08 0.00 -2.04 0.00 0.00 64.05 59.74 3hl9 n THR 141 Cb 0.58 -0.24 0.35 0.00 -1.82 0.00 0.00 70.33 69.20 3hl9 n THR 141 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hl9 n SER 142 N -1.39 0.14 -0.06 8.00 3.41 -1.07 -0.85 113.62 121.81 3hl9 n SER 142 Ca 0.16 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.30 3hl9 n SER 142 Cb 0.65 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3hl9 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hl9 n GLY 143 N -0.01 0.48 3.46 5.00 0.00 -1.26 -3.81 105.19 109.05 3hl9 n GLY 143 Ca 0.03 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 3hl9 n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hl9 s LEU 144 N -0.16 2.56 0.29 0.99 0.05 -1.26 -1.44 118.68 119.71 3hl9 s LEU 144 Ca 0.00 -0.98 0.02 0.00 0.05 0.00 0.00 54.13 53.23 3hl9 s LEU 144 Cb 0.00 -1.13 -0.05 0.00 -2.05 0.00 0.00 46.19 42.96 3hl9 s LEU 144 CO 0.00 0.06 0.12 -0.55 -0.55 0.00 0.00 176.35 175.43 3hl9 s SER 145 N -3.28 1.54 0.26 1.48 0.15 -1.26 -4.32 113.70 108.27 3hl9 s SER 145 Ca 0.28 -1.47 -0.14 0.00 0.70 0.00 0.00 55.95 55.32 3hl9 s SER 145 Cb -0.06 0.25 -0.08 0.00 -1.71 0.00 0.00 66.02 64.42 3hl9 s SER 145 CO 0.14 -0.79 0.65 -0.31 1.20 0.00 0.00 173.24 174.13 3hl9 s TYR 146 N -3.62 3.45 0.07 3.44 2.02 -1.21 -4.03 117.35 117.47 3hl9 s TYR 146 Ca 0.36 1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 57.86 3hl9 s TYR 146 Cb 0.06 -2.44 -0.18 0.00 -0.40 0.00 0.00 41.96 39.01 3hl9 s TYR 146 CO 0.15 0.22 1.60 0.28 -1.57 0.00 0.00 175.55 176.23 3hl9 h VAL 147 N 2.16 0.47 -0.14 0.71 2.07 -1.94 -3.14 116.25 116.43 3hl9 h VAL 147 Ca -0.48 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3hl9 h VAL 147 Cb 1.18 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3hl9 h VAL 147 CO 0.67 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.76 3hl9 n PHE 148 N -5.38 0.41 -0.03 1.57 3.72 -1.26 -3.22 117.46 113.27 3hl9 n PHE 148 Ca -0.12 -0.15 0.01 0.00 -0.05 0.00 0.00 57.45 57.13 3hl9 n PHE 148 Cb 0.30 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.62 3hl9 n PHE 148 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hl9 n LEU 149 N 0.10 0.00 -4.53 4.37 4.77 -1.19 -5.01 117.00 115.52 3hl9 n LEU 149 Ca 0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 3hl9 n LEU 149 Cb 0.38 0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 3hl9 n LEU 149 CO 0.07 0.11 -0.38 -2.28 -1.33 0.00 0.00 177.39 173.58 3hl9 s HIS 150 N -2.53 2.93 0.40 -1.77 2.46 -1.20 -5.02 115.29 110.57 3hl9 s HIS 150 Ca -0.04 -0.14 0.12 0.00 0.47 0.00 0.00 55.06 55.47 3hl9 s HIS 150 Cb 0.05 -1.78 0.83 0.00 -0.13 0.00 0.00 32.58 31.56 3hl9 s HIS 150 CO 0.44 0.18 1.91 -1.35 -2.47 0.00 0.00 174.74 173.44 3hl9 h PRO 151 N 5.76 0.07 0.33 2.88 0.11 -1.95 -1.02 132.00 138.18 3hl9 h PRO 151 Ca -0.42 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3hl9 h PRO 151 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hl9 h PRO 151 CO 0.55 0.31 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.42 3hl9 h LEU 152 N 0.06 -0.37 -1.27 2.35 3.38 -1.95 -3.05 115.31 114.46 3hl9 h LEU 152 Ca 0.01 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.93 3hl9 h LEU 152 Cb 0.46 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3hl9 h LEU 152 CO 0.03 0.06 0.56 -0.07 0.09 0.00 0.00 178.44 179.12 3hl9 h LEU 153 N -0.91 0.70 -0.64 1.67 3.38 -1.78 0.11 115.31 117.83 3hl9 h LEU 153 Ca -0.04 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3hl9 h LEU 153 Cb 0.52 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 3hl9 h LEU 153 CO 0.07 0.39 -0.35 0.03 0.09 0.00 0.00 178.44 178.67 3hl9 h ARG 154 N 0.76 -0.14 0.06 1.13 2.47 -1.16 0.22 114.38 117.72 3hl9 h ARG 154 Ca 0.42 0.01 -0.26 0.00 -1.26 0.00 0.00 59.98 58.89 3hl9 h ARG 154 Cb 0.57 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.93 3hl9 h ARG 154 CO -0.18 -0.09 -1.10 1.49 0.56 0.00 0.00 179.97 180.64 3hl9 h GLU 155 N -0.14 0.47 -0.80 0.04 4.81 -0.76 0.44 114.58 118.64 3hl9 h GLU 155 Ca 0.25 -0.59 0.19 0.00 -0.13 0.00 0.00 59.36 59.07 3hl9 h GLU 155 Cb 0.56 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 30.00 3hl9 h GLU 155 CO -0.72 1.23 0.19 -0.92 -0.73 0.00 0.00 179.01 178.06 3hl9 h TYR 156 N 0.23 0.29 -0.30 0.92 3.20 -0.78 0.58 116.97 121.10 3hl9 h TYR 156 Ca -0.13 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 3hl9 h TYR 156 Cb 1.77 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.02 3hl9 h TYR 156 CO 0.08 -0.13 0.09 1.98 -1.64 0.00 0.00 178.16 178.53 3hl9 h MET 157 N 0.25 0.48 -0.71 1.82 4.05 -0.38 -2.04 114.93 118.39 3hl9 h MET 157 Ca 0.47 -0.11 0.10 0.00 -0.28 0.00 0.00 59.70 59.88 3hl9 h MET 157 Cb 0.85 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.51 3hl9 h MET 157 CO -0.57 0.53 0.33 0.00 0.23 0.00 0.00 176.91 177.44 3hl9 h ALA 158 N 0.92 0.99 -0.31 0.39 0.00 0.17 -2.20 119.26 119.23 3hl9 h ALA 158 Ca 0.10 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3hl9 h ALA 158 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hl9 h ALA 158 CO -0.00 -0.10 -0.28 1.96 0.00 0.00 0.00 179.25 180.84 3hl9 h GLN 159 N 0.55 0.62 -0.20 0.00 1.08 0.09 -3.47 115.11 113.78 3hl9 h GLN 159 Ca 0.36 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3hl9 h GLN 159 Cb 0.43 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3hl9 h GLN 159 CO -0.30 0.84 0.00 0.41 -0.95 0.00 0.00 178.83 178.82 3hl9 n GLY 160 N -0.23 1.02 0.03 3.46 0.00 -0.80 -4.99 105.19 103.68 3hl9 n GLY 160 Ca -0.00 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.01 3hl9 n GLY 160 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hl9 n HIS 161 N -0.56 0.27 0.69 1.61 8.25 -0.98 -3.35 115.22 121.15 3hl9 n HIS 161 Ca 0.00 0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.66 3hl9 n HIS 161 Cb 0.10 -0.58 0.31 0.00 1.12 0.00 0.00 29.99 30.95 3hl9 n HIS 161 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hl9 n LEU 162 N -1.73 0.63 -0.33 2.41 4.77 -1.26 -3.98 117.00 117.51 3hl9 n LEU 162 Ca 0.06 0.35 0.01 0.00 -0.03 0.00 0.00 56.01 56.40 3hl9 n LEU 162 Cb 0.37 -0.28 0.18 0.00 -2.33 0.00 0.00 43.42 41.36 3hl9 n LEU 162 CO 0.30 -0.07 1.27 1.56 -1.33 0.00 0.00 177.39 179.12 3hl9 h GLN 163 N 0.00 1.15 0.00 3.23 4.20 -1.95 -3.13 115.11 118.61 3hl9 h GLN 163 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hl9 h GLN 163 Cb 0.68 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hl9 h GLN 163 CO 0.00 0.76 0.00 0.43 -0.67 0.00 0.00 178.83 179.35 3hl9 n SER 164 N -4.44 0.63 -0.33 1.46 7.64 -1.26 -3.27 113.62 114.06 3hl9 n SER 164 Ca 0.12 0.67 0.14 0.00 1.01 0.00 0.00 58.87 60.82 3hl9 n SER 164 Cb 0.09 -0.80 0.37 0.00 -1.01 0.00 0.00 64.21 62.87 3hl9 n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hl9 h ALA 165 N 2.23 1.82 -0.91 -0.43 0.00 -1.82 -2.05 119.26 118.10 3hl9 h ALA 165 Ca 0.00 0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.20 3hl9 h ALA 165 Cb 0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 3hl9 h ALA 165 CO 0.00 -0.16 0.40 0.93 0.00 0.00 0.00 179.25 180.42 3hl9 h GLU 166 N 0.68 0.36 -0.13 0.00 5.08 -1.76 -1.37 114.58 117.45 3hl9 h GLU 166 Ca 0.55 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.86 3hl9 h GLU 166 Cb 0.96 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3hl9 h GLU 166 CO -0.32 0.24 -0.00 0.87 -1.00 0.00 0.00 179.01 178.80 3hl9 h LYS 167 N 0.38 0.19 -0.44 2.33 1.57 -1.64 -2.46 116.57 116.49 3hl9 h LYS 167 Ca 0.58 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 3hl9 h LYS 167 Cb 1.15 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3hl9 h LYS 167 CO -0.55 0.21 0.00 1.19 -0.57 0.00 0.00 179.45 179.73 3hl9 n PHE 168 N -4.42 0.95 -2.48 -1.35 3.72 -0.57 -4.96 117.46 108.35 3hl9 n PHE 168 Ca -0.01 -0.64 -0.20 0.00 -0.05 0.00 0.00 57.45 56.55 3hl9 n PHE 168 Cb 0.16 -0.17 -0.00 0.00 -0.94 0.00 0.00 39.48 38.52 3hl9 n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hl9 n GLY 169 N 0.50 -0.50 3.71 1.37 0.00 -0.93 -4.96 105.19 104.38 3hl9 n GLY 169 Ca 0.19 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3hl9 n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl9 s ILE 170 N -3.03 5.09 0.34 -0.61 1.01 -0.84 -5.01 121.20 118.15 3hl9 s ILE 170 Ca 0.04 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 3hl9 s ILE 170 Cb -0.02 -3.97 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 3hl9 s ILE 170 CO 0.04 0.26 1.53 0.00 0.00 0.00 0.00 174.94 176.77 3hl9 n GLN 171 N 3.87 2.69 -0.23 2.79 1.13 -1.26 -4.40 117.38 121.97 3hl9 n GLN 171 Ca -0.03 0.95 0.00 0.00 -1.94 0.00 0.00 57.00 55.98 3hl9 n GLN 171 Cb 0.51 -2.70 0.08 0.00 0.11 0.00 0.00 30.24 28.24 3hl9 n GLN 171 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hl9 h SER 172 N 3.67 -0.61 0.74 1.08 0.87 -1.96 -1.41 113.55 115.93 3hl9 h SER 172 Ca -0.49 0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 3hl9 h SER 172 Cb 1.24 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 63.60 3hl9 h SER 172 CO 0.70 -0.22 -0.29 -0.09 -0.53 0.00 0.00 176.83 176.41 3hl9 h ARG 173 N 0.00 0.00 0.00 2.24 2.43 -2.02 -2.47 114.38 114.56 3hl9 h ARG 173 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3hl9 h ARG 173 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3hl9 h ARG 173 CO -0.69 0.29 -0.40 1.28 -1.51 0.00 0.00 179.97 178.93 3hl9 n LEU 174 N -3.56 0.42 -0.15 3.80 4.32 -0.60 -4.48 117.00 116.75 3hl9 n LEU 174 Ca -0.01 0.14 -0.09 0.00 -0.02 0.00 0.00 56.01 56.03 3hl9 n LEU 174 Cb 0.43 -0.30 -0.00 0.00 -1.62 0.00 0.00 43.42 41.93 3hl9 n LEU 174 CO 0.35 0.07 0.89 0.00 -1.22 0.00 0.00 177.39 177.48 3hl9 h ALA 175 N 2.94 0.59 -2.95 -1.18 0.00 -0.88 -3.46 119.26 114.32 3hl9 h ALA 175 Ca 0.00 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 3hl9 h ALA 175 Cb 0.53 -0.17 0.12 0.00 0.00 0.00 0.00 17.79 18.27 3hl9 h ALA 175 CO 0.00 0.26 0.57 -1.25 0.00 0.00 0.00 179.25 178.82 3hl9 s PRO 176 N -5.35 3.21 0.69 0.00 0.04 -1.26 -4.99 135.00 127.34 3hl9 s PRO 176 Ca -0.13 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 3hl9 s PRO 176 Cb 0.11 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3hl9 s PRO 176 CO 0.78 -1.09 1.06 -2.14 0.04 0.00 0.00 177.00 175.65 3hl9 s PRO 177 N -2.93 2.99 0.82 0.56 0.02 -1.26 -5.01 135.00 130.18 3hl9 s PRO 177 Ca 0.71 0.96 -0.11 0.00 0.02 0.00 0.00 61.00 62.58 3hl9 s PRO 177 Cb -0.37 -2.00 0.09 0.00 0.02 0.00 0.00 34.50 32.24 3hl9 s PRO 177 CO 0.43 -1.05 1.11 0.00 -0.33 0.00 0.00 177.00 177.16 3hl9 s ALA 178 N -3.02 2.00 -0.19 -1.55 0.00 -1.00 -4.67 121.76 113.32 3hl9 s ALA 178 Ca 0.58 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3hl9 s ALA 178 Cb -0.14 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3hl9 s ALA 178 CO 0.54 -2.09 0.98 1.33 0.00 0.00 0.00 175.76 176.51 3hl9 n VAL 179 N -3.73 0.85 -3.89 0.00 0.24 -0.90 0.24 118.33 111.15 3hl9 n VAL 179 Ca 0.10 -0.92 -0.02 0.00 -2.04 0.00 0.00 64.34 61.45 3hl9 n VAL 179 Cb 0.53 0.58 0.02 0.00 -1.47 0.00 0.00 33.84 33.49 3hl9 n VAL 179 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hl9 s ASN 180 N -0.88 -0.00 0.42 -1.34 3.84 -0.52 -4.85 114.94 111.61 3hl9 s ASN 180 Ca 0.04 -0.61 -0.12 0.00 0.21 0.00 0.00 52.86 52.39 3hl9 s ASN 180 Cb 0.02 0.46 -0.07 0.00 -0.55 0.00 0.00 41.25 41.11 3hl9 s ASN 180 CO 0.03 -0.90 0.80 -1.81 -2.79 0.00 0.00 177.10 172.43 3hl9 s ASP 181 N -3.44 6.55 0.47 -4.21 1.01 -1.26 -4.63 116.67 111.16 3hl9 s ASP 181 Ca 0.22 1.21 -0.24 0.00 0.71 0.00 0.00 52.55 54.45 3hl9 s ASP 181 Cb -0.02 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.47 3hl9 s ASP 181 CO 0.04 -0.42 1.34 -2.65 0.21 0.00 0.00 175.17 173.70 3hl9 n PRO 182 N -1.30 1.97 -0.98 8.23 -0.02 -1.25 -2.49 135.00 139.17 3hl9 n PRO 182 Ca 0.03 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hl9 n PRO 182 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3hl9 n PRO 182 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hl9 n GLY 183 N 0.73 0.85 0.06 -1.23 0.00 -0.03 -4.90 105.19 100.67 3hl9 n GLY 183 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3hl9 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl9 h ALA 184 N 0.00 0.00 -2.19 4.61 0.00 -1.71 -3.49 119.26 116.48 3hl9 h ALA 184 Ca 0.00 -0.25 -0.49 0.00 0.00 0.00 0.00 54.91 54.17 3hl9 h ALA 184 Cb 0.01 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 3hl9 h ALA 184 CO 0.00 0.24 -0.73 -1.21 0.00 0.00 0.00 179.25 177.55 3hl9 s GLU 185 N -1.84 1.45 -0.10 0.00 2.02 -1.26 -4.89 118.70 114.08 3hl9 s GLU 185 Ca -0.07 -1.67 -0.24 0.00 0.02 0.00 0.00 54.97 53.02 3hl9 s GLU 185 Cb 0.01 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 3hl9 s GLU 185 CO 0.10 0.19 0.73 -0.46 0.02 0.00 0.00 175.26 175.84 3hl9 s TRP 186 N -2.87 3.53 -0.19 1.61 -0.00 -1.26 -4.41 118.94 115.35 3hl9 s TRP 186 Ca 0.25 1.23 -0.04 0.00 -0.00 0.00 0.00 56.10 57.54 3hl9 s TRP 186 Cb -0.01 -2.85 0.09 0.00 -0.00 0.00 0.00 33.47 30.70 3hl9 s TRP 186 CO 0.10 -0.00 0.27 0.42 -0.00 0.00 0.00 176.95 177.73 3hl9 s ILE 187 N 1.17 -0.42 -0.04 5.86 1.01 -0.53 -4.94 121.20 123.32 3hl9 s ILE 187 Ca 0.37 0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.74 3hl9 s ILE 187 Cb -0.17 -0.63 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 3hl9 s ILE 187 CO 0.17 -0.08 1.99 0.00 0.00 0.00 0.00 174.94 177.01 3hl9 n TYR 188 N 5.34 2.38 -4.03 3.97 9.36 -1.26 -4.69 117.16 128.23 3hl9 n TYR 188 Ca -0.05 -0.24 -0.12 0.00 3.32 0.00 0.00 57.90 60.81 3hl9 n TYR 188 Cb 0.50 -2.75 -0.04 0.00 -0.63 0.00 0.00 39.34 36.41 3hl9 n TYR 188 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3hl9 s GLY 189 N 4.89 1.07 0.00 2.98 0.00 -1.26 -3.34 107.32 111.67 3hl9 s GLY 189 Ca 0.92 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3hl9 s GLY 189 CO 0.44 -0.82 0.45 0.00 0.00 0.00 0.00 173.10 173.18 3hl9 n ALA 190 N -0.50 1.95 1.16 3.20 0.00 -1.26 -4.09 120.51 120.97 3hl9 n ALA 190 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hl9 n ALA 190 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3hl9 n ALA 190 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hl9 n ASN 191 N -0.44 0.20 -0.00 0.00 2.04 -1.26 -1.62 115.26 114.18 3hl9 n ASN 191 Ca 0.00 -1.36 0.07 0.00 -0.44 0.00 0.00 54.58 52.85 3hl9 n ASN 191 Cb 0.01 -0.10 -0.08 0.00 -2.53 0.00 0.00 39.78 37.07 3hl9 n ASN 191 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3hl9 n LEU 192 N -0.31 0.67 0.05 -4.53 -0.00 -1.26 -3.60 117.00 108.04 3hl9 n LEU 192 Ca 0.00 -0.48 -0.14 0.00 -0.00 0.00 0.00 56.01 55.38 3hl9 n LEU 192 Cb 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.33 3hl9 n LEU 192 CO 0.00 0.17 -0.29 0.44 -0.00 0.00 0.00 177.39 177.71 3hl9 h ASP 193 N 0.00 0.29 -0.39 1.96 5.19 -1.43 -2.10 116.42 119.94 3hl9 h ASP 193 Ca 0.00 -0.40 -0.03 0.00 -0.62 0.00 0.00 57.03 55.98 3hl9 h ASP 193 Cb 0.36 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 3hl9 h ASP 193 CO 0.00 1.34 0.13 -0.50 -3.12 0.00 0.00 179.24 177.08 3hl9 h TRP 194 N 0.05 0.62 -0.68 4.55 4.06 -1.75 -0.21 115.95 122.59 3hl9 h TRP 194 Ca -0.22 -0.06 0.14 0.00 2.06 0.00 0.00 58.89 60.81 3hl9 h TRP 194 Cb 1.98 -0.18 -0.10 0.00 -1.00 0.00 0.00 29.16 29.86 3hl9 h TRP 194 CO 0.05 0.58 0.16 0.00 -3.56 0.00 0.00 178.44 175.67 3hl9 h ALA 195 N 0.97 0.85 -0.28 1.49 0.00 -1.61 0.34 119.26 121.02 3hl9 h ALA 195 Ca 0.13 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3hl9 h ALA 195 Cb 0.25 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3hl9 h ALA 195 CO -0.01 -0.32 -0.06 0.78 0.00 0.00 0.00 179.25 179.64 3hl9 h GLY 196 N 0.27 0.21 0.86 0.00 0.00 -0.78 -2.89 103.07 100.74 3hl9 h GLY 196 Ca 0.37 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 3hl9 h GLY 196 CO -0.46 -0.10 -0.24 0.50 0.00 0.00 0.00 176.54 176.23 3hl9 h LYS 197 N 0.01 -0.57 -0.89 4.80 1.79 0.79 -2.51 116.57 119.98 3hl9 h LYS 197 Ca 0.14 0.04 0.23 0.00 -2.18 0.00 0.00 60.65 58.88 3hl9 h LYS 197 Cb 0.21 0.13 -0.16 0.00 -1.58 0.00 0.00 32.23 30.83 3hl9 h LYS 197 CO -0.29 -0.38 0.06 1.25 -1.08 0.00 0.00 179.45 179.01 3hl9 h LEU 198 N -0.59 -0.35 -0.10 2.94 6.46 -0.25 0.31 115.31 123.73 3hl9 h LEU 198 Ca -0.04 0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 3hl9 h LEU 198 Cb 0.50 0.40 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 3hl9 h LEU 198 CO 0.03 -0.26 0.04 0.58 -0.62 0.00 0.00 178.44 178.21 3hl9 h VAL 199 N 0.08 1.14 -0.86 1.05 2.07 -1.39 0.65 116.25 118.99 3hl9 h VAL 199 Ca 0.53 -0.42 0.16 0.00 0.82 0.00 0.00 66.70 67.79 3hl9 h VAL 199 Cb 1.04 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 3hl9 h VAL 199 CO -0.79 0.12 0.56 -0.33 0.02 0.00 0.00 177.57 177.16 3hl9 h GLU 200 N 0.02 0.54 0.13 1.57 5.08 -0.01 -0.06 114.58 121.84 3hl9 h GLU 200 Ca 0.04 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 58.04 3hl9 h GLU 200 Cb 0.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hl9 h GLU 200 CO -0.00 0.36 -1.68 0.00 -1.00 0.00 0.00 179.01 176.69 3hl9 h ARG 201 N 0.56 0.27 0.00 2.33 2.47 -0.91 -1.44 114.38 117.67 3hl9 h ARG 201 Ca 0.44 -0.47 -0.10 0.00 -1.26 0.00 0.00 59.98 58.60 3hl9 h ARG 201 Cb 0.86 0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3hl9 h ARG 201 CO -0.18 1.14 -0.45 0.00 0.56 0.00 0.00 179.97 181.03 3hl9 h ALA 202 N 0.37 1.16 -0.24 0.04 0.00 -0.51 -3.27 119.26 116.81 3hl9 h ALA 202 Ca -0.30 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3hl9 h ALA 202 Cb 2.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3hl9 h ALA 202 CO 0.15 0.57 0.00 0.25 0.00 0.00 0.00 179.25 180.22 3hl9 n THR 203 N -3.87 0.96 -2.31 0.00 -2.24 -0.07 -4.98 114.28 101.77 3hl9 n THR 203 Ca -0.01 -0.98 -0.04 0.00 -2.27 0.00 0.00 64.05 60.75 3hl9 n THR 203 Cb 0.49 0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3hl9 n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hl9 n GLY 204 N 0.23 -0.39 3.16 3.38 0.00 -0.58 -4.90 105.19 106.09 3hl9 n GLY 204 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3hl9 n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hl9 s LEU 205 N -4.88 2.06 0.64 0.99 1.43 -0.97 -5.03 118.68 112.91 3hl9 s LEU 205 Ca 0.00 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 3hl9 s LEU 205 Cb 0.00 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 3hl9 s LEU 205 CO 0.00 0.19 1.10 1.51 0.23 0.00 0.00 176.35 179.38 3hl9 s ASP 206 N -0.54 5.30 0.00 2.29 -4.77 -1.26 -4.00 116.67 113.69 3hl9 s ASP 206 Ca 0.06 1.98 0.31 0.00 -3.30 0.00 0.00 52.55 51.60 3hl9 s ASP 206 Cb -0.07 -2.55 1.77 0.00 -1.09 0.00 0.00 42.92 40.98 3hl9 s ASP 206 CO -0.00 -1.50 2.16 0.00 0.70 0.00 0.00 175.17 176.53 3hl9 n LEU 207 N -2.24 0.00 0.04 2.11 -0.00 -1.26 -2.11 117.00 113.53 3hl9 n LEU 207 Ca 0.10 0.09 -0.12 0.00 -0.00 0.00 0.00 56.01 56.08 3hl9 n LEU 207 Cb 0.52 -0.09 -0.09 0.00 -0.00 0.00 0.00 43.42 43.76 3hl9 n LEU 207 CO 0.47 -0.00 0.53 -0.08 -0.00 0.00 0.00 177.39 178.32 3hl9 h GLU 208 N 0.00 -0.14 0.06 1.47 4.57 -1.91 -1.75 114.58 116.88 3hl9 h GLU 208 Ca 0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hl9 h GLU 208 Cb 0.09 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3hl9 h GLU 208 CO 0.00 0.32 -0.03 0.37 -1.18 0.00 0.00 179.01 178.49 3hl9 h GLN 209 N -0.67 -0.08 -0.46 1.92 4.15 -1.88 -2.55 115.11 115.54 3hl9 h GLN 209 Ca -0.01 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.47 3hl9 h GLN 209 Cb 0.52 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3hl9 h GLN 209 CO 0.02 -0.05 0.31 -0.92 -1.93 0.00 0.00 178.83 176.27 3hl9 h TYR 210 N -0.08 0.39 -0.18 3.99 5.03 -1.53 -1.99 116.97 122.61 3hl9 h TYR 210 Ca -0.01 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 3hl9 h TYR 210 Cb 0.06 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 3hl9 h TYR 210 CO -0.08 0.21 -0.02 1.25 -1.32 0.00 0.00 178.16 178.21 3hl9 h LEU 211 N 0.39 0.32 -0.69 2.82 5.85 -0.91 -0.92 115.31 122.17 3hl9 h LEU 211 Ca 0.20 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 3hl9 h LEU 211 Cb 0.30 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3hl9 h LEU 211 CO -0.05 0.57 -0.02 1.56 -0.34 0.00 0.00 178.44 180.17 3hl9 h GLN 212 N 0.06 1.00 -0.23 1.25 1.08 -1.15 -2.09 115.11 115.03 3hl9 h GLN 212 Ca 0.05 -0.31 -0.14 0.00 -1.45 0.00 0.00 58.65 56.79 3hl9 h GLN 212 Cb 0.42 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3hl9 h GLN 212 CO 0.01 0.99 -0.42 0.93 -0.95 0.00 0.00 178.83 179.39 3hl9 h GLU 213 N 0.91 0.68 -0.02 1.46 5.08 -1.31 0.59 114.58 121.98 3hl9 h GLU 213 Ca 0.16 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3hl9 h GLU 213 Cb 0.55 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hl9 h GLU 213 CO 0.03 1.05 -0.11 0.09 -1.00 0.00 0.00 179.01 179.08 3hl9 n ASN 214 N -4.19 1.95 0.01 1.42 3.02 -0.36 -4.51 115.26 112.60 3hl9 n ASN 214 Ca -0.05 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 3hl9 n ASN 214 Cb 0.55 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 3hl9 n ASN 214 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hl9 n ILE 215 N 0.46 0.01 0.09 2.41 5.41 -0.84 -4.83 119.36 122.07 3hl9 n ILE 215 Ca 0.08 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.71 3hl9 n ILE 215 Cb 0.34 -0.62 -0.08 0.00 -0.71 0.00 0.00 39.64 38.58 3hl9 n ILE 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hl9 h ALA 217 N -0.25 -0.67 -0.89 0.00 0.00 -1.11 0.22 119.26 116.56 3hl9 h ALA 217 Ca -0.03 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.09 3hl9 h ALA 217 Cb 0.51 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 3hl9 h ALA 217 CO 0.05 -0.97 0.61 -1.35 0.00 0.00 0.00 179.25 177.60 3hl9 h PRO 218 N -0.54 0.17 -0.50 0.00 0.11 -1.79 0.81 132.00 130.26 3hl9 h PRO 218 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hl9 h PRO 218 Cb 0.65 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3hl9 h PRO 218 CO -0.39 0.11 0.00 1.28 -0.21 0.00 0.00 178.00 178.80 3hl9 n LEU 219 N -4.39 3.45 -3.46 2.35 4.77 -0.99 -4.99 117.00 113.74 3hl9 n LEU 219 Ca 0.19 -2.07 -0.22 0.00 -0.03 0.00 0.00 56.01 53.87 3hl9 n LEU 219 Cb 0.84 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3hl9 n LEU 219 CO 0.35 0.82 -0.01 0.61 -1.33 0.00 0.00 177.39 177.84 3hl9 n GLY 220 N 0.90 -1.09 3.67 -0.72 0.00 0.28 -5.01 105.19 103.22 3hl9 n GLY 220 Ca 0.17 0.52 -0.34 0.00 0.00 0.00 0.00 46.02 46.37 3hl9 n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl9 s ILE 221 N -3.39 4.18 0.00 -0.61 1.01 0.58 -5.01 121.20 117.96 3hl9 s ILE 221 Ca 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3hl9 s ILE 221 Cb -0.11 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3hl9 s ILE 221 CO 0.80 0.53 0.23 0.35 0.00 0.00 0.00 174.94 176.86 3hl9 n THR 222 N 1.90 0.00 -0.66 2.92 -2.24 -1.26 -4.53 114.28 110.41 3hl9 n THR 222 Ca -0.17 -0.28 0.08 0.00 -2.27 0.00 0.00 64.05 61.41 3hl9 n THR 222 Cb 0.53 1.38 0.23 0.00 -2.10 0.00 0.00 70.33 70.37 3hl9 n THR 222 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hl9 n ASP 223 N -0.09 3.66 -4.64 3.42 5.68 -1.26 -4.95 116.55 118.38 3hl9 n ASP 223 Ca 0.00 -2.60 -0.37 0.00 -0.50 0.00 0.00 54.79 51.32 3hl9 n ASP 223 Cb 0.09 -0.44 -0.10 0.00 -1.14 0.00 0.00 41.12 39.54 3hl9 n ASP 223 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3hl9 s MET 224 N -2.08 4.04 -0.14 0.11 1.75 -1.26 -3.42 119.30 118.30 3hl9 s MET 224 Ca 0.36 -0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 54.30 3hl9 s MET 224 Cb 0.26 -3.58 0.11 0.00 2.84 0.00 0.00 34.83 34.46 3hl9 s MET 224 CO 0.13 -0.04 0.92 -0.08 -0.65 0.00 0.00 175.02 175.29 3hl9 s THR 225 N 1.36 0.00 -0.06 10.11 -1.32 -0.80 -4.94 115.64 120.00 3hl9 s THR 225 Ca 0.09 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.40 3hl9 s THR 225 Cb -0.14 -1.00 -0.30 0.00 -1.51 0.00 0.00 72.50 69.54 3hl9 s THR 225 CO 0.07 0.00 0.73 -0.26 -2.21 0.00 0.00 174.62 172.95 3hl9 h PHE 226 N 2.81 0.58 -2.78 9.09 0.04 -1.85 -0.95 116.94 123.88 3hl9 h PHE 226 Ca -0.21 -0.43 -0.77 0.00 2.80 0.00 0.00 57.97 59.36 3hl9 h PHE 226 Cb 1.16 -0.02 -0.23 0.00 2.20 0.00 0.00 35.95 39.06 3hl9 h PHE 226 CO 0.32 1.50 0.97 1.63 -0.60 0.00 0.00 178.31 182.13 3hl9 n LYS 227 N -3.91 3.52 0.06 1.51 4.76 -1.26 -4.80 118.16 118.05 3hl9 n LYS 227 Ca -0.21 -4.14 -0.14 0.00 -2.87 0.00 0.00 58.31 50.95 3hl9 n LYS 227 Cb 0.93 -2.79 -0.05 0.00 -1.84 0.00 0.00 35.03 31.28 3hl9 n LYS 227 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hl9 h LEU 228 N 8.02 0.57 -1.78 -0.35 7.12 -1.96 -2.91 115.31 124.02 3hl9 h LEU 228 Ca 0.26 -0.46 0.07 0.00 0.13 0.00 0.00 57.88 57.88 3hl9 h LEU 228 Cb 0.84 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 3hl9 h LEU 228 CO 1.17 1.25 0.49 0.06 -0.13 0.00 0.00 178.44 181.29 3hl9 h GLN 229 N 0.25 0.00 -0.74 1.25 -0.00 -1.99 0.49 115.11 114.38 3hl9 h GLN 229 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 3hl9 h GLN 229 Cb 1.58 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.06 3hl9 h GLN 229 CO 0.17 0.00 0.01 1.04 -0.00 0.00 0.00 178.83 180.05 3hl9 n GLN 230 N -3.23 3.50 -3.36 0.06 6.02 -1.10 -4.65 117.38 114.63 3hl9 n GLN 230 Ca 0.04 -2.05 -0.26 0.00 -0.01 0.00 0.00 57.00 54.72 3hl9 n GLN 230 Cb 0.61 -2.00 -0.09 0.00 1.02 0.00 0.00 30.24 29.78 3hl9 n GLN 230 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hl9 n ARG 231 N 0.38 0.49 -0.17 -1.09 5.12 0.16 -4.99 116.66 116.56 3hl9 n ARG 231 Ca 0.19 -3.30 -0.01 0.00 -1.93 0.00 0.00 57.85 52.80 3hl9 n ARG 231 Cb 0.88 -1.58 0.08 0.00 -1.16 0.00 0.00 32.46 30.68 3hl9 n ARG 231 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hl9 h PRO 232 N 5.08 0.25 -0.87 5.56 0.13 -1.82 0.30 132.00 140.64 3hl9 h PRO 232 Ca 0.20 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.43 3hl9 h PRO 232 Cb 0.89 -0.06 -0.13 0.00 0.13 0.00 0.00 31.00 31.83 3hl9 h PRO 232 CO 0.43 0.17 -0.39 -0.40 -0.23 0.00 0.00 178.00 177.58 3hl9 n ASP 233 N -5.10 -0.67 -0.02 1.44 5.68 -1.26 -2.31 116.55 114.31 3hl9 n ASP 233 Ca 0.07 1.52 0.07 0.00 -0.50 0.00 0.00 54.79 55.95 3hl9 n ASP 233 Cb 0.27 -0.30 -0.16 0.00 -1.14 0.00 0.00 41.12 39.79 3hl9 n ASP 233 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3hl9 n MET 234 N -5.22 0.66 -0.24 0.11 0.00 -0.71 -4.18 117.12 107.54 3hl9 n MET 234 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 57.70 57.63 3hl9 n MET 234 Cb 0.31 -1.55 0.11 0.00 0.00 0.00 0.00 33.22 32.10 3hl9 n MET 234 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3hl9 h LEU 235 N 0.00 0.53 -1.89 3.17 6.46 -0.23 -2.27 115.31 121.08 3hl9 h LEU 235 Ca -0.10 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 3hl9 h LEU 235 Cb 1.23 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3hl9 h LEU 235 CO 0.01 0.33 0.03 0.00 -0.62 0.00 0.00 178.44 178.19 3hl9 h ALA 236 N 1.38 1.92 -0.44 1.25 0.00 -1.62 -2.83 119.26 118.92 3hl9 h ALA 236 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hl9 h ALA 236 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hl9 h ALA 236 CO -0.21 0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.00 3hl9 n ARG 237 N -4.51 3.35 -1.02 0.00 1.85 -0.90 -5.02 116.66 110.41 3hl9 n ARG 237 Ca -0.02 -2.69 -0.30 0.00 -1.00 0.00 0.00 57.85 53.84 3hl9 n ARG 237 Cb 0.10 -1.76 0.15 0.00 -1.05 0.00 0.00 32.46 29.90 3hl9 n ARG 237 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3hl9 s ARG 238 N -2.05 1.18 -0.14 2.89 1.70 -0.95 -4.30 118.95 117.28 3hl9 s ARG 238 Ca 0.42 1.08 -0.26 0.00 -0.47 0.00 0.00 55.73 56.49 3hl9 s ARG 238 Cb 0.29 -1.78 -0.02 0.00 -0.57 0.00 0.00 34.95 32.87 3hl9 s ARG 238 CO 0.16 -2.37 0.85 0.00 -1.08 0.00 0.00 175.30 172.86 3hl9 s ALA 239 N -2.80 3.46 0.35 7.88 0.00 0.95 -4.91 121.76 126.68 3hl9 s ALA 239 Ca 0.64 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 3hl9 s ALA 239 Cb -0.20 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3hl9 s ALA 239 CO 0.58 -0.55 1.02 -0.51 0.00 0.00 0.00 175.76 176.30 3hl9 s ASP 240 N 1.09 7.07 0.43 0.00 1.01 -1.19 -4.83 116.67 120.25 3hl9 s ASP 240 Ca 0.40 2.02 -0.24 0.00 0.71 0.00 0.00 52.55 55.44 3hl9 s ASP 240 Cb -0.17 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.09 3hl9 s ASP 240 CO 0.15 -0.27 1.17 -1.10 0.21 0.00 0.00 175.17 175.33 3hl9 s GLN 241 N -2.09 3.90 0.02 8.23 -1.52 -1.26 -4.56 119.66 122.37 3hl9 s GLN 241 Ca 0.52 1.81 0.09 0.00 -1.95 0.00 0.00 55.36 55.83 3hl9 s GLN 241 Cb -0.23 -2.54 -0.03 0.00 -0.22 0.00 0.00 33.01 30.00 3hl9 s GLN 241 CO 0.29 -0.44 -0.26 0.99 -0.25 0.00 0.00 175.29 175.62 3hl9 s THR 242 N -1.48 2.09 -0.02 -0.19 2.01 -0.96 -1.87 115.64 115.22 3hl9 s THR 242 Ca 0.60 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3hl9 s THR 242 Cb -0.30 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 3hl9 s THR 242 CO 0.37 0.44 -0.12 -2.28 -0.69 0.00 0.00 174.62 172.34 3hl9 s HIS 243 N -0.73 1.15 -0.07 4.92 2.46 -0.51 -0.16 115.29 122.35 3hl9 s HIS 243 Ca 0.11 -0.27 -0.11 0.00 0.47 0.00 0.00 55.06 55.26 3hl9 s HIS 243 Cb -0.10 -0.78 -0.05 0.00 -0.13 0.00 0.00 32.58 31.52 3hl9 s HIS 243 CO 0.01 -0.08 0.26 0.50 -2.47 0.00 0.00 174.74 172.96 3hl9 s ARG 244 N -0.00 3.69 0.24 2.88 3.52 -0.80 -0.21 118.95 128.27 3hl9 s ARG 244 Ca -0.01 0.11 -0.18 0.00 -0.13 0.00 0.00 55.73 55.53 3hl9 s ARG 244 Cb -0.08 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 30.01 3hl9 s ARG 244 CO 0.00 0.71 0.71 -0.80 -0.81 0.00 0.00 175.30 175.11 3hl9 s ASN 245 N -0.95 6.95 0.20 -2.12 0.01 0.02 -4.77 114.94 114.29 3hl9 s ASN 245 Ca 0.19 1.34 -0.06 0.00 -0.71 0.00 0.00 52.86 53.62 3hl9 s ASN 245 Cb -0.14 -2.39 0.14 0.00 0.41 0.00 0.00 41.25 39.27 3hl9 s ASN 245 CO 0.08 -0.02 1.60 0.28 -1.51 0.00 0.00 177.10 177.53 3hl9 h SER 246 N 3.12 0.84 0.00 -1.22 0.02 -1.98 -2.16 113.55 112.17 3hl9 h SER 246 Ca -0.48 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.16 3hl9 h SER 246 Cb 1.19 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3hl9 h SER 246 CO 0.65 1.04 -0.00 0.00 -1.14 0.00 0.00 176.83 177.38 3hl9 h ALA 247 N 1.02 -0.00 0.00 3.77 0.00 -1.96 -3.39 119.26 118.70 3hl9 h ALA 247 Ca 0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3hl9 h ALA 247 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hl9 h ALA 247 CO 0.06 -0.38 -0.88 -0.44 0.00 0.00 0.00 179.25 177.61 3hl9 h ASP 248 N -0.24 0.00 0.00 0.00 5.19 -1.99 -3.48 116.42 115.90 3hl9 h ASP 248 Ca -0.00 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 3hl9 h ASP 248 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3hl9 h ASP 248 CO 0.00 1.19 0.00 0.61 -3.12 0.00 0.00 179.24 177.92 3hl9 n GLY 249 N 1.52 0.60 3.93 2.75 0.00 -0.81 -5.06 105.19 108.12 3hl9 n GLY 249 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 3hl9 n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hl9 s ARG 250 N -0.80 3.21 0.10 1.61 0.52 -1.26 -4.79 118.95 117.53 3hl9 s ARG 250 Ca 0.00 -0.20 0.10 0.00 -0.52 0.00 0.00 55.73 55.11 3hl9 s ARG 250 Cb 0.00 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 3hl9 s ARG 250 CO 0.00 -0.28 -0.24 -0.48 0.02 0.00 0.00 175.30 174.32 3hl9 s LEU 251 N -4.66 2.38 0.21 2.53 0.05 -1.26 -0.80 118.68 117.14 3hl9 s LEU 251 Ca 0.48 -0.64 0.03 0.00 0.05 0.00 0.00 54.13 54.05 3hl9 s LEU 251 Cb -0.10 -1.33 -0.05 0.00 -2.05 0.00 0.00 46.19 42.66 3hl9 s LEU 251 CO 0.41 0.21 -0.01 0.00 -0.55 0.00 0.00 176.35 176.41 3hl9 s ARG 252 N -1.79 1.26 0.82 1.48 1.70 0.71 -4.98 118.95 118.15 3hl9 s ARG 252 Ca 0.14 -1.62 -0.11 0.00 -0.47 0.00 0.00 55.73 53.67 3hl9 s ARG 252 Cb -0.10 -0.53 0.09 0.00 -0.57 0.00 0.00 34.95 33.83 3hl9 s ARG 252 CO 0.06 -0.09 1.13 -0.47 -1.08 0.00 0.00 175.30 174.85 3hl9 s TYR 253 N -3.47 2.12 0.00 5.89 5.04 -1.26 -1.42 117.35 124.25 3hl9 s TYR 253 Ca 0.26 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 3hl9 s TYR 253 Cb 0.05 -3.23 0.00 0.00 0.35 0.00 0.00 41.96 39.13 3hl9 s TYR 253 CO 0.07 -2.30 0.00 -3.47 -1.34 0.00 0.00 175.55 168.50 3hl9 n ASP 254 N -3.64 0.00 -2.52 4.32 2.03 -0.78 -4.56 116.55 111.40 3hl9 n ASP 254 Ca 0.11 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.13 3hl9 n ASP 254 Cb 0.52 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 3hl9 n ASP 254 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hl9 s PHE 267 N -3.64 3.50 1.26 0.00 0.08 -1.26 -4.82 117.98 113.09 3hl9 s PHE 267 Ca 0.49 1.09 -0.17 0.00 0.12 0.00 0.00 56.93 58.46 3hl9 s PHE 267 Cb 0.41 -2.41 0.31 0.00 -0.57 0.00 0.00 43.02 40.76 3hl9 s PHE 267 CO -0.21 0.29 1.01 0.20 -0.10 0.00 0.00 175.22 176.41 3hl9 s GLY 268 N -2.03 1.50 0.00 4.36 0.00 -1.26 -4.00 107.32 105.88 3hl9 s GLY 268 Ca 0.45 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3hl9 s GLY 268 CO 0.20 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.22 3hl9 n GLY 269 N 0.58 2.43 3.55 0.20 0.00 -1.23 -3.95 105.19 106.77 3hl9 n GLY 269 Ca 0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3hl9 n GLY 269 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hl9 s GLN 270 N 0.00 1.43 0.00 1.61 1.03 -1.26 -4.08 119.66 118.40 3hl9 s GLN 270 Ca 0.00 -0.67 0.00 0.00 0.04 0.00 0.00 55.36 54.73 3hl9 s GLN 270 Cb 0.00 0.58 0.00 0.00 0.03 0.00 0.00 33.01 33.62 3hl9 s GLN 270 CO 0.00 -0.63 0.00 0.41 -2.54 0.00 0.00 175.29 172.53 3hl9 n GLY 271 N -0.39 1.33 3.81 2.60 0.00 -1.25 -4.63 105.19 106.66 3hl9 n GLY 271 Ca -0.12 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3hl9 n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hl9 s VAL 272 N -2.04 4.93 -0.19 1.61 1.01 -1.26 -4.68 120.40 119.78 3hl9 s VAL 272 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3hl9 s VAL 272 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3hl9 s VAL 272 CO 0.00 0.41 -0.03 -0.36 0.00 0.00 0.00 175.10 175.13 3hl9 s PHE 273 N -1.16 2.99 0.07 5.22 0.08 -0.36 -1.40 117.98 123.43 3hl9 s PHE 273 Ca 0.21 -0.58 -0.08 0.00 0.12 0.00 0.00 56.93 56.61 3hl9 s PHE 273 Cb -0.12 -2.05 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 3hl9 s PHE 273 CO 0.12 -0.29 0.17 -1.54 -0.10 0.00 0.00 175.22 173.58 3hl9 s SER 274 N 0.99 0.13 0.28 1.36 1.04 -0.37 -1.90 113.70 115.23 3hl9 s SER 274 Ca 0.01 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 55.54 3hl9 s SER 274 Cb -0.14 0.31 -0.10 0.00 0.10 0.00 0.00 66.02 66.19 3hl9 s SER 274 CO 0.01 -0.66 1.26 -0.83 0.98 0.00 0.00 173.24 173.99 3hl9 s GLY 275 N -2.64 2.84 0.48 7.32 0.00 -1.22 -2.12 107.32 111.99 3hl9 s GLY 275 Ca 0.02 1.13 0.19 0.00 0.00 0.00 0.00 44.72 46.05 3hl9 s GLY 275 CO -0.09 1.87 2.04 -0.56 0.00 0.00 0.00 173.10 176.36 3hl9 h PRO 276 N 4.13 0.00 -0.60 2.90 0.13 -1.69 -1.70 132.00 135.17 3hl9 h PRO 276 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3hl9 h PRO 276 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3hl9 h PRO 276 CO 0.70 0.14 0.23 0.78 -0.23 0.00 0.00 178.00 179.61 3hl9 h GLY 277 N 0.52 0.95 0.86 1.56 0.00 -1.65 -2.73 103.07 102.58 3hl9 h GLY 277 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 3hl9 h GLY 277 CO 0.02 0.47 -0.54 1.76 0.00 0.00 0.00 176.54 178.24 3hl9 h SER 278 N 0.87 0.61 -0.97 0.19 0.02 -1.53 -3.03 113.55 109.70 3hl9 h SER 278 Ca 0.20 -0.67 0.17 0.00 -0.84 0.00 0.00 61.79 60.65 3hl9 h SER 278 Cb 0.19 -0.18 -0.10 0.00 0.14 0.00 0.00 62.40 62.45 3hl9 h SER 278 CO -0.02 1.19 0.58 0.22 -1.14 0.00 0.00 176.83 177.66 3hl9 h TYR 279 N 0.07 1.02 0.23 3.45 3.20 -1.43 -1.60 116.97 121.93 3hl9 h TYR 279 Ca -0.05 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3hl9 h TYR 279 Cb 1.20 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3hl9 h TYR 279 CO 0.12 0.27 -0.30 1.98 -1.64 0.00 0.00 178.16 178.59 3hl9 h MET 280 N 0.78 -0.57 -0.99 1.82 4.05 -1.37 -2.37 114.93 116.28 3hl9 h MET 280 Ca 0.54 0.04 0.35 0.00 -0.28 0.00 0.00 59.70 60.35 3hl9 h MET 280 Cb 0.77 0.13 -0.18 0.00 -0.80 0.00 0.00 31.60 31.52 3hl9 h MET 280 CO -0.36 -0.38 0.33 0.87 0.23 0.00 0.00 176.91 177.61 3hl9 h LYS 281 N -0.59 0.03 0.03 0.39 1.57 -1.18 0.69 116.57 117.51 3hl9 h LYS 281 Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hl9 h LYS 281 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3hl9 h LYS 281 CO -0.10 0.02 -0.02 0.28 -0.57 0.00 0.00 179.45 179.06 3hl9 h VAL 282 N 0.04 1.13 -0.24 0.50 2.07 -1.34 -2.07 116.25 116.33 3hl9 h VAL 282 Ca 0.73 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.80 3hl9 h VAL 282 Cb 1.77 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 3hl9 h VAL 282 CO -0.81 0.13 0.17 -0.07 0.02 0.00 0.00 177.57 177.01 3hl9 h LEU 283 N -0.26 0.08 0.44 2.57 3.38 0.72 -3.01 115.31 119.22 3hl9 h LEU 283 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hl9 h LEU 283 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hl9 h LEU 283 CO 0.01 0.05 -0.21 -0.74 0.09 0.00 0.00 178.44 177.64 3hl9 h HIS 284 N 0.09 -0.55 -0.92 1.13 2.76 -0.49 -2.37 115.15 114.80 3hl9 h HIS 284 Ca 0.11 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.46 3hl9 h HIS 284 Cb 0.33 0.18 -0.11 0.00 1.55 0.00 0.00 27.41 29.36 3hl9 h HIS 284 CO -0.00 -0.31 0.49 0.66 -1.30 0.00 0.00 177.93 177.47 3hl9 h SER 285 N -1.13 0.55 0.53 3.26 4.64 -1.33 0.12 113.55 120.19 3hl9 h SER 285 Ca -0.06 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3hl9 h SER 285 Cb 0.49 0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3hl9 h SER 285 CO 0.10 0.16 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.89 3hl9 h LEU 286 N 0.59 -0.60 -0.71 5.97 3.38 -1.60 -2.20 115.31 120.13 3hl9 h LEU 286 Ca 0.54 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.68 3hl9 h LEU 286 Cb 0.90 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 3hl9 h LEU 286 CO -0.43 -0.43 0.15 0.25 0.09 0.00 0.00 178.44 178.07 3hl9 h LEU 287 N -0.71 -0.04 -3.90 1.67 5.85 -0.26 -2.37 115.31 115.55 3hl9 h LEU 287 Ca -0.07 0.15 -0.61 0.00 0.84 0.00 0.00 57.88 58.18 3hl9 h LEU 287 Cb 0.54 0.21 -0.32 0.00 0.37 0.00 0.00 40.66 41.47 3hl9 h LEU 287 CO 0.12 -0.05 0.39 2.29 -0.34 0.00 0.00 178.44 180.85 3hl9 n LYS 288 N -5.18 2.84 -0.72 1.25 2.85 -0.48 -4.92 118.16 113.80 3hl9 n LYS 288 Ca 0.13 -3.48 -0.03 0.00 -1.05 0.00 0.00 58.31 53.88 3hl9 n LYS 288 Cb 0.44 -2.25 -0.01 0.00 -0.65 0.00 0.00 35.03 32.55 3hl9 n LYS 288 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3hl9 n ARG 289 N -0.90 -1.63 0.06 -1.58 0.00 -0.89 -4.68 116.66 107.04 3hl9 n ARG 289 Ca 0.57 0.28 0.08 0.00 -0.00 0.00 0.00 57.85 58.77 3hl9 n ARG 289 Cb 0.83 -3.88 0.34 0.00 -0.00 0.00 0.00 32.46 29.74 3hl9 n ARG 289 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3hl9 n ASP 290 N 0.99 0.27 0.00 2.89 5.75 -0.85 -4.72 116.55 120.88 3hl9 n ASP 290 Ca -0.03 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 3hl9 n ASP 290 Cb 0.20 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 3hl9 n ASP 290 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hl9 n GLY 291 N -0.48 0.58 0.20 6.12 0.00 -1.26 -4.87 105.19 105.48 3hl9 n GLY 291 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3hl9 n GLY 291 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hl9 h LEU 292 N 0.00 0.20 0.00 0.99 4.07 -1.88 -3.33 115.31 115.36 3hl9 h LEU 292 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3hl9 h LEU 292 Cb 0.10 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.78 3hl9 h LEU 292 CO 0.00 0.56 -0.58 0.00 -1.08 0.00 0.00 178.44 177.34 3hl9 n LEU 293 N -4.07 0.00 -4.20 1.67 -0.00 -1.26 -4.93 117.00 104.21 3hl9 n LEU 293 Ca -0.01 -0.14 -0.18 0.00 -0.00 0.00 0.00 56.01 55.69 3hl9 n LEU 293 Cb 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.80 3hl9 n LEU 293 CO 0.41 0.00 -0.00 -0.22 -0.00 0.00 0.00 177.39 177.58 3hl9 s LEU 294 N -2.27 1.46 -0.25 1.47 2.96 -1.25 -4.86 118.68 115.93 3hl9 s LEU 294 Ca 0.00 -1.66 0.03 0.00 -0.22 0.00 0.00 54.13 52.28 3hl9 s LEU 294 Cb 0.00 0.95 0.06 0.00 0.50 0.00 0.00 46.19 47.69 3hl9 s LEU 294 CO 0.00 -1.17 -0.12 -1.58 -1.32 0.00 0.00 176.35 172.16 3hl9 s GLN 295 N -3.24 2.29 0.10 1.98 0.74 -1.26 -4.03 119.66 116.23 3hl9 s GLN 295 Ca 0.37 -1.27 0.04 0.00 0.05 0.00 0.00 55.36 54.54 3hl9 s GLN 295 Cb 0.01 -2.83 0.31 0.00 1.10 0.00 0.00 33.01 31.59 3hl9 s GLN 295 CO 0.25 -0.53 0.44 -2.30 -0.55 0.00 0.00 175.29 172.60 3hl9 n PRO 296 N 4.47 -0.02 -0.02 1.67 -0.02 -1.26 0.16 135.00 139.97 3hl9 n PRO 296 Ca -0.15 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 3hl9 n PRO 296 Cb 0.43 -0.68 -0.04 0.00 -0.02 0.00 0.00 33.50 33.20 3hl9 n PRO 296 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hl9 h GLN 297 N 0.00 0.03 0.00 -0.52 7.50 -1.99 -0.42 115.11 119.71 3hl9 h GLN 297 Ca 0.21 -0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.27 3hl9 h GLN 297 Cb 0.51 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 3hl9 h GLN 297 CO -0.23 0.02 -0.43 1.79 -1.50 0.00 0.00 178.83 178.47 3hl9 h THR 298 N 0.03 0.95 -0.38 -0.54 1.35 0.10 -2.42 112.91 112.01 3hl9 h THR 298 Ca 0.07 -1.72 -0.11 0.00 -0.55 0.00 0.00 66.41 64.10 3hl9 h THR 298 Cb 0.10 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3hl9 h THR 298 CO -0.14 0.42 -0.20 0.58 -0.25 0.00 0.00 175.52 175.94 3hl9 h VAL 299 N 0.00 1.28 -0.93 6.82 2.07 -1.22 -3.03 116.25 121.25 3hl9 h VAL 299 Ca -0.00 -1.33 0.13 0.00 0.82 0.00 0.00 66.70 66.31 3hl9 h VAL 299 Cb 1.00 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 32.02 3hl9 h VAL 299 CO 0.06 0.44 0.59 0.44 0.02 0.00 0.00 177.57 179.12 3hl9 h ASP 300 N 0.60 0.76 -0.39 0.57 3.32 -0.60 -1.92 116.42 118.77 3hl9 h ASP 300 Ca 0.08 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3hl9 h ASP 300 Cb 0.75 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 3hl9 h ASP 300 CO 0.06 0.39 0.14 -0.07 -1.72 0.00 0.00 179.24 178.05 3hl9 h LEU 301 N 0.81 0.16 -1.10 1.55 3.38 -1.36 -2.22 115.31 116.53 3hl9 h LEU 301 Ca 0.46 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.70 3hl9 h LEU 301 Cb 0.62 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 3hl9 h LEU 301 CO -0.23 0.13 0.62 0.24 0.09 0.00 0.00 178.44 179.29 3hl9 h MET 302 N 0.31 0.59 -0.00 1.13 2.86 -1.28 0.28 114.93 118.81 3hl9 h MET 302 Ca 0.18 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3hl9 h MET 302 Cb 0.15 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3hl9 h MET 302 CO -0.18 0.39 -0.18 1.19 1.06 0.00 0.00 176.91 179.20 3hl9 n PHE 303 N -4.77 0.00 -2.43 -0.22 3.01 -0.92 -1.69 117.46 110.44 3hl9 n PHE 303 Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.28 3hl9 n PHE 303 Cb 0.70 -0.31 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 3hl9 n PHE 303 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3hl9 s GLN 304 N -2.80 4.35 -0.46 -1.08 -1.52 0.97 -4.95 119.66 114.18 3hl9 s GLN 304 Ca 0.19 1.71 -0.27 0.00 -1.95 0.00 0.00 55.36 55.04 3hl9 s GLN 304 Cb 0.19 -3.55 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 3hl9 s GLN 304 CO 0.56 -0.45 2.06 -2.14 -0.25 0.00 0.00 175.29 175.07 3hl9 s PRO 305 N 2.16 2.69 0.48 2.91 0.02 -1.26 -4.42 135.00 137.57 3hl9 s PRO 305 Ca 0.57 1.22 0.27 0.00 0.02 0.00 0.00 61.00 63.09 3hl9 s PRO 305 Cb -0.26 -4.40 0.80 0.00 0.02 0.00 0.00 34.50 30.66 3hl9 s PRO 305 CO 0.23 -2.62 1.78 0.00 -0.33 0.00 0.00 177.00 176.05 3hl9 h ALA 306 N 15.93 0.99 -2.30 -1.55 0.00 -1.05 -3.45 119.26 127.83 3hl9 h ALA 306 Ca -0.29 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.04 3hl9 h ALA 306 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3hl9 h ALA 306 CO 1.12 0.04 0.87 -0.51 0.00 0.00 0.00 179.25 180.78 3hl9 s LEU 307 N -6.24 4.28 0.78 0.00 2.01 -1.23 -5.00 118.68 113.29 3hl9 s LEU 307 Ca 0.04 2.00 -0.14 0.00 0.01 0.00 0.00 54.13 56.04 3hl9 s LEU 307 Cb 0.07 -3.55 0.04 0.00 0.01 0.00 0.00 46.19 42.76 3hl9 s LEU 307 CO 0.62 -0.74 0.95 -0.62 1.01 0.00 0.00 176.35 177.57 3hl9 n GLU 308 N 5.89 0.25 -0.16 1.70 4.71 -1.26 -4.59 120.64 127.19 3hl9 n GLU 308 Ca 0.14 0.15 -0.05 0.00 -0.01 0.00 0.00 57.16 57.39 3hl9 n GLU 308 Cb 0.44 -2.23 0.04 0.00 -1.01 0.00 0.00 31.44 28.69 3hl9 n GLU 308 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3hl9 h PRO 309 N -0.69 0.47 -0.00 3.49 0.11 -1.99 0.12 132.00 133.50 3hl9 h PRO 309 Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3hl9 h PRO 309 Cb 1.31 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3hl9 h PRO 309 CO 0.45 0.31 -0.63 -0.09 -0.21 0.00 0.00 178.00 177.82 3hl9 h ARG 310 N 0.48 0.01 -0.11 1.05 1.12 -2.00 -2.85 114.38 112.08 3hl9 h ARG 310 Ca 0.21 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.06 3hl9 h ARG 310 Cb 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.07 3hl9 h ARG 310 CO -0.14 0.64 -0.00 -0.07 -3.11 0.00 0.00 179.97 177.28 3hl9 h LEU 311 N 0.00 0.19 -1.94 3.80 3.38 -1.68 -2.81 115.31 116.26 3hl9 h LEU 311 Ca -0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3hl9 h LEU 311 Cb 1.12 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hl9 h LEU 311 CO 0.08 0.45 -0.04 1.05 0.09 0.00 0.00 178.44 180.08 3hl9 h GLU 312 N -0.08 0.00 0.05 1.13 4.11 -0.76 -1.96 114.58 117.06 3hl9 h GLU 312 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 3hl9 h GLU 312 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hl9 h GLU 312 CO 0.01 0.04 -0.02 1.49 0.07 0.00 0.00 179.01 180.59 3hl9 h GLU 313 N 0.00 -0.06 -0.18 1.06 4.22 -1.43 -2.53 114.58 115.65 3hl9 h GLU 313 Ca -0.00 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 3hl9 h GLU 313 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hl9 h GLU 313 CO 0.00 0.56 0.13 -0.56 -2.18 0.00 0.00 179.01 176.96 3hl9 h GLN 314 N -0.88 0.08 0.43 1.92 -0.00 -1.28 0.09 115.11 115.47 3hl9 h GLN 314 Ca -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 3hl9 h GLN 314 Cb 0.65 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.12 3hl9 h GLN 314 CO 0.01 0.05 -0.21 1.98 -0.00 0.00 0.00 178.83 180.67 3hl9 h MET 315 N 0.08 -0.55 -0.71 0.06 4.05 -1.41 -0.17 114.93 116.28 3hl9 h MET 315 Ca 0.08 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.69 3hl9 h MET 315 Cb 0.22 0.13 -0.11 0.00 -0.80 0.00 0.00 31.60 31.04 3hl9 h MET 315 CO -0.01 -0.24 0.13 -0.91 0.23 0.00 0.00 176.91 176.11 3hl9 h ASN 316 N -0.91 -0.06 -0.19 1.39 2.35 -0.95 0.19 115.58 117.39 3hl9 h ASN 316 Ca -0.06 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3hl9 h ASN 316 Cb 0.56 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3hl9 h ASN 316 CO 0.10 -0.06 0.11 1.56 -1.65 0.00 0.00 177.43 177.48 3hl9 h GLN 317 N 0.23 0.22 0.26 0.81 4.20 -0.91 -0.44 115.11 119.48 3hl9 h GLN 317 Ca 0.40 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 3hl9 h GLN 317 Cb 0.68 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3hl9 h GLN 317 CO -0.52 0.14 -0.18 1.25 -0.67 0.00 0.00 178.83 178.85 3hl9 h HIS 318 N 0.22 -0.46 -0.56 2.96 2.76 -0.02 -1.37 115.15 118.69 3hl9 h HIS 318 Ca 0.08 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 3hl9 h HIS 318 Cb 0.00 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 3hl9 h HIS 318 CO -0.08 -0.27 0.25 0.52 -1.30 0.00 0.00 177.93 177.05 3hl9 h MET 319 N -0.43 0.79 -0.30 5.26 2.86 -0.49 -0.64 114.93 121.98 3hl9 h MET 319 Ca -0.02 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3hl9 h MET 319 Cb 0.37 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3hl9 h MET 319 CO 0.01 0.63 -0.01 -0.44 1.06 0.00 0.00 176.91 178.16 3hl9 h ASP 320 N 0.79 0.53 0.63 1.22 3.32 -1.00 -3.03 116.42 118.88 3hl9 h ASP 320 Ca 0.19 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3hl9 h ASP 320 Cb 0.11 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3hl9 h ASP 320 CO -0.02 0.72 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 3hl9 h ALA 321 N 0.83 1.00 -2.85 3.45 0.00 -0.32 -3.33 119.26 118.04 3hl9 h ALA 321 Ca 0.09 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.34 3hl9 h ALA 321 Cb 0.45 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.85 3hl9 h ALA 321 CO 0.02 0.00 -0.38 -1.13 0.00 0.00 0.00 179.25 177.76 3hl9 n SER 322 N -2.55 3.62 0.18 0.00 3.41 -0.34 -4.87 113.62 113.07 3hl9 n SER 322 Ca 0.01 -3.23 0.08 0.00 -0.26 0.00 0.00 58.87 55.47 3hl9 n SER 322 Cb 0.21 -0.86 0.10 0.00 -0.26 0.00 0.00 64.21 63.40 3hl9 n SER 322 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hl9 h PRO 323 N 5.41 0.00 -0.02 4.33 0.13 -1.73 -2.64 132.00 137.49 3hl9 h PRO 323 Ca 0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 3hl9 h PRO 323 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3hl9 h PRO 323 CO 0.80 0.20 -0.25 1.12 -0.23 0.00 0.00 178.00 179.63 3hl9 h HIS 324 N 0.00 0.03 0.00 1.56 2.07 -1.94 -3.21 115.15 113.66 3hl9 h HIS 324 Ca -0.01 -0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.45 3hl9 h HIS 324 Cb 1.16 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 3hl9 h HIS 324 CO 0.00 0.28 -0.40 0.82 -3.07 0.00 0.00 177.93 175.56 3hl9 h ILE 325 N 0.03 1.06 -5.87 6.12 2.04 -1.95 -3.49 117.51 115.45 3hl9 h ILE 325 Ca 0.00 -1.93 -0.18 0.00 1.00 0.00 0.00 64.86 63.75 3hl9 h ILE 325 Cb 0.46 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3hl9 h ILE 325 CO 0.03 0.36 -0.58 -3.20 0.00 0.00 0.00 178.15 174.77 3hl9 n ASN 326 N -4.59 -6.76 0.20 1.72 5.15 -1.00 -4.85 115.26 105.13 3hl9 n ASN 326 Ca -0.14 -0.16 0.04 0.00 -0.60 0.00 0.00 54.58 53.73 3hl9 n ASN 326 Cb 0.43 -3.88 0.46 0.00 -0.53 0.00 0.00 39.78 36.26 3hl9 n ASN 326 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3hl9 h TYR 327 N 0.90 0.05 -0.96 1.20 -1.99 -1.89 -2.88 116.97 111.40 3hl9 h TYR 327 Ca -0.24 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.50 3hl9 h TYR 327 Cb 1.16 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.83 3hl9 h TYR 327 CO 0.15 0.25 0.63 0.78 -0.00 0.00 0.00 178.16 179.97 3hl9 h GLY 328 N 0.67 1.36 0.00 3.88 0.00 -1.89 -3.45 103.07 103.63 3hl9 h GLY 328 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3hl9 h GLY 328 CO 0.03 0.47 0.00 0.61 0.00 0.00 0.00 176.54 177.64 3hl9 n GLY 329 N -1.39 1.98 0.10 4.60 0.00 -1.09 -3.64 105.19 105.75 3hl9 n GLY 329 Ca 0.12 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3hl9 n GLY 329 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hl9 n PRO 330 N 0.00 0.52 -2.83 1.61 -0.04 -1.26 -4.94 135.00 128.06 3hl9 n PRO 330 Ca 0.00 0.10 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 3hl9 n PRO 330 Cb 0.00 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 3hl9 n PRO 330 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hl9 s MET 331 N -3.32 3.85 0.05 0.54 0.23 -1.24 -4.84 119.30 114.56 3hl9 s MET 331 Ca 0.01 0.58 -0.29 0.00 -1.03 0.00 0.00 55.69 54.96 3hl9 s MET 331 Cb 0.11 -2.36 -0.15 0.00 -1.53 0.00 0.00 34.83 30.90 3hl9 s MET 331 CO 0.78 -0.04 0.73 -2.30 -2.03 0.00 0.00 175.02 172.17 3hl9 n PRO 332 N -1.18 0.00 -0.22 3.16 -0.02 -1.26 -4.88 135.00 130.61 3hl9 n PRO 332 Ca 0.03 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.44 3hl9 n PRO 332 Cb 0.54 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 32.96 3hl9 n PRO 332 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3hl9 h MET 333 N 1.95 0.90 -4.96 -0.52 2.86 -1.95 -3.35 114.93 109.86 3hl9 h MET 333 Ca -0.36 -0.15 -0.63 0.00 -2.06 0.00 0.00 59.70 56.50 3hl9 h MET 333 Cb 1.16 -0.15 -0.16 0.00 0.06 0.00 0.00 31.60 32.50 3hl9 h MET 333 CO 0.51 0.75 -0.52 0.08 1.06 0.00 0.00 176.91 178.78 3hl9 s VAL 334 N -5.62 5.28 0.10 -2.22 1.01 -1.26 -4.67 120.40 113.01 3hl9 s VAL 334 Ca -0.13 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 3hl9 s VAL 334 Cb 0.13 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 33.07 3hl9 s VAL 334 CO 0.79 0.29 0.55 -0.22 0.00 0.00 0.00 175.10 176.51 3hl9 s LEU 335 N 1.52 -0.28 -0.35 3.92 0.20 -1.26 -5.12 118.68 117.32 3hl9 s LEU 335 Ca 0.07 0.08 -0.16 0.00 0.69 0.00 0.00 54.13 54.81 3hl9 s LEU 335 Cb -0.15 2.33 -0.01 0.00 -0.43 0.00 0.00 46.19 47.93 3hl9 s LEU 335 CO 0.09 -0.84 0.40 -0.60 -0.29 0.00 0.00 176.35 175.11 3hl9 s ARG 336 N -3.11 3.53 0.34 1.98 3.52 -1.26 -4.98 118.95 118.98 3hl9 s ARG 336 Ca -0.02 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 3hl9 s ARG 336 Cb -0.00 -3.82 -0.06 0.00 -1.56 0.00 0.00 34.95 29.51 3hl9 s ARG 336 CO -0.07 -0.58 0.06 1.03 -0.81 0.00 0.00 175.30 174.93 3hl9 s ARG 337 N 2.10 1.72 0.00 5.12 3.00 -1.26 -1.38 118.95 128.25 3hl9 s ARG 337 Ca 0.13 -1.97 0.00 0.00 0.00 0.00 0.00 55.73 53.89 3hl9 s ARG 337 Cb -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 34.95 33.88 3hl9 s ARG 337 CO 0.12 -0.22 0.00 0.45 0.00 0.00 0.00 175.30 175.66 3hl9 n SER 338 N -0.79 0.58 -4.06 0.23 2.88 -0.30 -4.74 113.62 107.42 3hl9 n SER 338 Ca -0.03 -0.37 -0.13 0.00 -1.33 0.00 0.00 58.87 57.01 3hl9 n SER 338 Cb 0.66 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.01 3hl9 n SER 338 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3hl9 s PHE 339 N -0.90 0.64 0.00 0.66 2.19 -1.26 -1.42 117.98 117.89 3hl9 s PHE 339 Ca 0.00 -0.51 0.00 0.00 0.33 0.00 0.00 56.93 56.75 3hl9 s PHE 339 Cb 0.00 -0.39 0.00 0.00 -1.31 0.00 0.00 43.02 41.32 3hl9 s PHE 339 CO 0.00 -0.10 0.00 0.41 1.83 0.00 0.00 175.22 177.36 3hl9 n GLY 340 N 1.43 1.86 2.85 13.12 0.00 -0.80 -0.46 105.19 123.19 3hl9 n GLY 340 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3hl9 n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hl9 s LEU 341 N 0.00 4.13 0.00 0.99 1.43 -0.68 -4.44 118.68 120.11 3hl9 s LEU 341 Ca 0.00 -3.39 0.00 0.00 -1.03 0.00 0.00 54.13 49.71 3hl9 s LEU 341 Cb 0.00 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.75 3hl9 s LEU 341 CO 0.00 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3hl9 n GLY 342 N 2.58 1.27 0.00 -3.19 0.00 -1.26 -4.76 105.19 99.83 3hl9 n GLY 342 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3hl9 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hl9 n GLY 343 N 0.00 1.47 3.84 -0.02 0.00 -1.26 -4.60 105.19 104.62 3hl9 n GLY 343 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3hl9 n GLY 343 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl9 s ILE 344 N -2.52 4.62 -0.14 -0.61 -1.09 0.10 -1.90 121.20 119.67 3hl9 s ILE 344 Ca 0.00 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.48 3hl9 s ILE 344 Cb 0.00 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 3hl9 s ILE 344 CO 0.00 -0.27 -0.16 -0.63 -1.23 0.00 0.00 174.94 172.65 3hl9 s ILE 345 N -2.09 1.68 -0.45 2.92 1.01 -0.51 -0.85 121.20 122.92 3hl9 s ILE 345 Ca 0.56 -0.73 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 3hl9 s ILE 345 Cb -0.10 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 3hl9 s ILE 345 CO 0.18 0.48 1.80 0.00 0.00 0.00 0.00 174.94 177.40 3hl9 s ALA 346 N 1.19 2.60 0.17 9.38 0.00 -0.80 -1.15 121.76 133.14 3hl9 s ALA 346 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 3hl9 s ALA 346 Cb -0.14 -4.12 0.05 0.00 0.00 0.00 0.00 23.12 18.91 3hl9 s ALA 346 CO -0.06 -3.12 1.47 -0.07 0.00 0.00 0.00 175.76 173.97 3hl9 h LEU 347 N 14.70 0.72-10.49 0.00 3.38 -1.53 -2.14 115.31 119.94 3hl9 h LEU 347 Ca -0.30 -0.39 -0.55 0.00 0.09 0.00 0.00 57.88 56.73 3hl9 h LEU 347 Cb 1.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3hl9 h LEU 347 CO 1.11 1.13 -0.21 -1.83 0.09 0.00 0.00 178.44 178.73 3hl9 s GLU 348 N -4.00 2.25 -0.08 1.13 -1.05 -1.18 -4.70 118.70 111.07 3hl9 s GLU 348 Ca -0.08 -1.89 -0.24 0.00 -0.15 0.00 0.00 54.97 52.61 3hl9 s GLU 348 Cb 0.11 -2.31 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 3hl9 s GLU 348 CO 0.86 -0.76 0.71 0.34 0.95 0.00 0.00 175.26 177.37 3hl9 s ASP 349 N -4.46 6.97 0.18 0.83 -1.08 -1.26 -3.70 116.67 114.15 3hl9 s ASP 349 Ca 0.45 1.17 -0.11 0.00 -0.52 0.00 0.00 52.55 53.55 3hl9 s ASP 349 Cb -0.04 -2.42 0.08 0.00 -1.46 0.00 0.00 42.92 39.09 3hl9 s ASP 349 CO 0.28 -0.16 1.70 -0.07 0.52 0.00 0.00 175.17 177.44 3hl9 h LEU 350 N 7.01 0.92 -5.10 -1.34 4.07 -1.76 -3.40 115.31 115.69 3hl9 h LEU 350 Ca -0.39 -0.22 -0.09 0.00 0.08 0.00 0.00 57.88 57.26 3hl9 h LEU 350 Cb 1.19 -0.24 -0.16 0.00 1.08 0.00 0.00 40.66 42.53 3hl9 h LEU 350 CO 0.76 0.90 -0.38 -0.62 -1.08 0.00 0.00 178.44 178.02 3hl9 s ASP 351 N -6.27 -1.13 0.80 -0.43 2.15 -1.26 -4.97 116.67 105.56 3hl9 s ASP 351 Ca -0.12 -1.25 0.00 0.00 0.43 0.00 0.00 52.55 51.61 3hl9 s ASP 351 Cb 0.13 1.48 0.00 0.00 -0.30 0.00 0.00 42.92 44.23 3hl9 s ASP 351 CO 0.82 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 176.38 3hl9 n GLY 352 N 3.03 2.59 0.90 2.66 0.00 -1.26 -1.47 105.19 111.63 3hl9 n GLY 352 Ca 0.15 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3hl9 n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hl9 n GLU 353 N 14.00 2.17 0.10 1.61 4.71 -1.26 -4.35 120.64 137.61 3hl9 n GLU 353 Ca 0.00 -1.78 -0.21 0.00 -0.01 0.00 0.00 57.16 55.17 3hl9 n GLU 353 Cb 0.00 -1.44 -0.12 0.00 -1.01 0.00 0.00 31.44 28.86 3hl9 n GLU 353 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3hl9 h ASN 354 N 3.30 0.78 -0.17 1.62 4.21 -1.68 -3.48 115.58 120.16 3hl9 h ASN 354 Ca 0.00 -0.73 0.00 0.00 1.21 0.00 0.00 56.30 56.78 3hl9 h ASN 354 Cb 0.74 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 3hl9 h ASN 354 CO 0.00 1.55 0.00 1.87 -1.29 0.00 0.00 177.43 179.56 3hl9 n TRP 355 N -3.74 0.00 -1.34 1.19 -0.00 -1.14 -4.50 117.44 107.90 3hl9 n TRP 355 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 57.02 3hl9 n TRP 355 Cb 0.99 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 32.40 3hl9 n TRP 355 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3hl9 n ARG 356 N 0.00 0.53 -4.21 5.87 1.74 -1.26 -4.79 116.66 114.54 3hl9 n ARG 356 Ca 0.00 0.24 -0.28 0.00 -0.77 0.00 0.00 57.85 57.04 3hl9 n ARG 356 Cb 0.00 -2.39 -0.09 0.00 -1.02 0.00 0.00 32.46 28.96 3hl9 n ARG 356 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hl9 s ARG 357 N -3.68 2.29 -0.05 5.56 1.81 -1.26 -2.23 118.95 121.39 3hl9 s ARG 357 Ca 0.76 -1.05 -0.37 0.00 -1.72 0.00 0.00 55.73 53.35 3hl9 s ARG 357 Cb -0.33 -2.35 -0.18 0.00 -0.45 0.00 0.00 34.95 31.64 3hl9 s ARG 357 CO 0.48 0.49 1.03 1.17 -0.68 0.00 0.00 175.30 177.78 3hl9 n LYS 358 N 0.31 0.00 0.00 3.54 4.81 -1.24 -1.69 118.16 123.88 3hl9 n LYS 358 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 3hl9 n LYS 358 Cb 0.54 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.22 3hl9 n LYS 358 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hl9 n GLY 359 N 1.63 2.82 3.78 3.14 0.00 -0.80 -4.78 105.19 110.98 3hl9 n GLY 359 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hl9 n GLY 359 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hl9 s SER 360 N -0.96 6.29 -0.26 1.61 1.04 -0.68 -4.74 113.70 116.00 3hl9 s SER 360 Ca 0.00 3.03 -0.01 0.00 0.48 0.00 0.00 55.95 59.45 3hl9 s SER 360 Cb 0.00 -2.67 0.03 0.00 0.10 0.00 0.00 66.02 63.49 3hl9 s SER 360 CO 0.00 -0.91 -0.06 -0.22 0.98 0.00 0.00 173.24 173.04 3hl9 s LEU 361 N -2.17 3.30 0.17 2.42 2.96 0.49 -1.90 118.68 123.96 3hl9 s LEU 361 Ca 0.54 -0.98 0.08 0.00 -0.22 0.00 0.00 54.13 53.55 3hl9 s LEU 361 Cb -0.46 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3hl9 s LEU 361 CO 0.62 -0.15 -0.08 0.28 -1.32 0.00 0.00 176.35 175.70 3hl9 s THR 362 N 1.29 3.30 0.35 3.68 -1.32 -0.03 -1.16 115.64 121.75 3hl9 s THR 362 Ca -0.01 -1.59 -0.11 0.00 -1.21 0.00 0.00 61.69 58.76 3hl9 s THR 362 Cb -0.17 -2.64 0.04 0.00 -1.51 0.00 0.00 72.50 68.22 3hl9 s THR 362 CO -0.04 -0.10 0.66 0.33 -2.21 0.00 0.00 174.62 173.26 3hl9 n PHE 363 N 0.04 -2.08 -3.79 9.09 7.35 -1.03 0.03 117.46 127.07 3hl9 n PHE 363 Ca -0.11 -1.77 -0.06 0.00 -0.76 0.00 0.00 57.45 54.76 3hl9 n PHE 363 Cb 0.55 0.78 0.02 0.00 0.35 0.00 0.00 39.48 41.18 3hl9 n PHE 363 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hl9 n GLY 364 N -0.49 0.87 3.37 7.13 0.00 -1.26 -1.74 105.19 113.07 3hl9 n GLY 364 Ca -0.06 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 3hl9 n GLY 364 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hl9 s GLY 365 N -3.10 1.50 0.05 -0.02 0.00 0.19 -4.14 107.32 101.80 3hl9 s GLY 365 Ca 0.18 -1.67 -0.09 0.00 0.00 0.00 0.00 44.72 43.14 3hl9 s GLY 365 CO 0.08 -1.76 0.67 0.61 0.00 0.00 0.00 173.10 172.71 3hl9 n GLY 366 N -0.31 -1.48 1.88 0.20 0.00 -1.26 -1.79 105.19 102.43 3hl9 n GLY 366 Ca -0.08 0.48 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 3hl9 n GLY 366 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hl9 n PRO 367 N -3.69 0.81 -2.77 1.61 -0.02 -1.26 -3.20 135.00 126.48 3hl9 n PRO 367 Ca 0.01 -0.21 -0.21 0.00 -2.02 0.00 0.00 63.50 61.07 3hl9 n PRO 367 Cb 0.07 -1.41 0.01 0.00 -0.02 0.00 0.00 33.50 32.15 3hl9 n PRO 367 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hl9 n ASN 368 N 2.05 -5.46 -4.69 2.55 3.02 -0.97 -3.20 115.26 108.56 3hl9 n ASN 368 Ca 0.09 -0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.09 3hl9 n ASN 368 Cb 0.39 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.02 3hl9 n ASN 368 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hl9 s ILE 369 N -3.02 4.95 -0.05 2.41 1.01 -0.74 -3.98 121.20 121.78 3hl9 s ILE 369 Ca 0.17 1.57 -0.01 0.00 0.00 0.00 0.00 60.65 62.38 3hl9 s ILE 369 Cb -0.08 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.31 3hl9 s ILE 369 CO 0.21 0.13 0.04 0.54 0.00 0.00 0.00 174.94 175.86 3hl9 s VAL 370 N 1.52 0.05 0.32 2.92 0.11 -0.84 0.57 120.40 125.05 3hl9 s VAL 370 Ca 0.39 0.30 0.09 0.00 -2.93 0.00 0.00 61.98 59.83 3hl9 s VAL 370 Cb -0.17 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3hl9 s VAL 370 CO 0.16 0.19 0.07 -1.66 -3.33 0.00 0.00 175.10 170.53 3hl9 s TRP 371 N 1.92 2.67 -0.27 1.54 1.48 -0.71 -1.35 118.94 124.22 3hl9 s TRP 371 Ca 0.02 -0.35 -0.23 0.00 -1.06 0.00 0.00 56.10 54.48 3hl9 s TRP 371 Cb -0.12 -1.48 0.08 0.00 -1.16 0.00 0.00 33.47 30.78 3hl9 s TRP 371 CO -0.03 0.45 0.73 1.14 -4.06 0.00 0.00 176.95 175.18 3hl9 s GLN 372 N -3.77 0.80 -0.19 3.25 1.03 -0.29 -2.46 119.66 118.02 3hl9 s GLN 372 Ca 0.35 1.01 -0.02 0.00 0.04 0.00 0.00 55.36 56.75 3hl9 s GLN 372 Cb -0.03 0.35 -0.00 0.00 0.03 0.00 0.00 33.01 33.36 3hl9 s GLN 372 CO 0.21 -0.11 -0.11 0.42 -2.54 0.00 0.00 175.29 173.17 3hl9 s ILE 373 N 0.59 2.90 -0.43 3.63 -1.09 -0.31 -1.39 121.20 125.11 3hl9 s ILE 373 Ca -0.02 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.75 3hl9 s ILE 373 Cb -0.05 -2.28 0.12 0.00 -1.58 0.00 0.00 42.46 38.67 3hl9 s ILE 373 CO -0.03 0.48 0.18 -0.62 -1.23 0.00 0.00 174.94 173.72 3hl9 s ASP 374 N 1.21 4.91 0.18 3.58 -1.08 0.20 -0.38 116.67 125.30 3hl9 s ASP 374 Ca 0.02 -2.34 -0.08 0.00 -0.52 0.00 0.00 52.55 49.63 3hl9 s ASP 374 Cb -0.14 -1.72 0.06 0.00 -1.46 0.00 0.00 42.92 39.66 3hl9 s ASP 374 CO -0.04 -0.41 1.58 -0.65 0.52 0.00 0.00 175.17 176.17 3hl9 h PRO 375 N 7.51 0.95 -0.11 4.34 0.11 -1.85 -1.16 132.00 141.78 3hl9 h PRO 375 Ca -0.07 -0.39 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3hl9 h PRO 375 Cb 1.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3hl9 h PRO 375 CO 0.63 1.05 -0.36 -0.22 -0.21 0.00 0.00 178.00 178.90 3hl9 h LYS 376 N 0.83 0.23 -0.00 1.05 3.64 -1.93 -2.13 116.57 118.27 3hl9 h LYS 376 Ca 0.11 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hl9 h LYS 376 Cb 0.75 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3hl9 h LYS 376 CO 0.06 0.57 -0.20 0.00 -2.27 0.00 0.00 179.45 177.61 3hl9 n ALA 377 N -2.48 2.84 -1.69 5.00 0.00 -1.16 -4.94 120.51 118.08 3hl9 n ALA 377 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 3hl9 n ALA 377 Cb 0.44 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 3hl9 n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl9 n GLY 378 N 1.47 0.72 3.28 0.00 0.00 -0.50 -4.99 105.19 105.17 3hl9 n GLY 378 Ca 0.07 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 3hl9 n GLY 378 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hl9 s LEU 379 N -2.91 2.44 -0.16 0.99 1.43 -0.83 -0.81 118.68 118.83 3hl9 s LEU 379 Ca 0.00 -1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 51.96 3hl9 s LEU 379 Cb 0.00 -0.37 0.07 0.00 0.03 0.00 0.00 46.19 45.92 3hl9 s LEU 379 CO 0.00 -0.36 0.37 0.00 0.23 0.00 0.00 176.35 176.59 3hl9 s THR 381 N 1.85 1.85 -0.17 0.00 -4.23 -0.49 -2.18 115.64 112.27 3hl9 s THR 381 Ca -0.06 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 3hl9 s THR 381 Cb -0.10 -1.85 0.08 0.00 1.34 0.00 0.00 72.50 71.97 3hl9 s THR 381 CO -0.12 -0.29 0.18 -0.22 -0.54 0.00 0.00 174.62 173.63 3hl9 s LEU 382 N -2.63 0.02 -0.17 4.79 2.96 -0.10 -1.14 118.68 122.41 3hl9 s LEU 382 Ca 0.16 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 3hl9 s LEU 382 Cb -0.06 0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.78 3hl9 s LEU 382 CO 0.07 -0.32 0.24 0.00 -1.32 0.00 0.00 176.35 175.02 3hl9 s ALA 383 N 2.27 3.63 -0.21 5.97 0.00 -0.46 -1.61 121.76 131.36 3hl9 s ALA 383 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3hl9 s ALA 383 Cb -0.15 -2.32 0.05 0.00 0.00 0.00 0.00 23.12 20.70 3hl9 s ALA 383 CO -0.10 0.13 -0.06 0.12 0.00 0.00 0.00 175.76 175.85 3hl9 s PHE 384 N 0.37 2.14 0.41 0.00 2.19 0.63 -1.99 117.98 121.73 3hl9 s PHE 384 Ca 0.14 -1.50 0.07 0.00 0.33 0.00 0.00 56.93 55.97 3hl9 s PHE 384 Cb -0.12 -1.49 -0.08 0.00 -1.31 0.00 0.00 43.02 40.02 3hl9 s PHE 384 CO 0.02 -0.72 0.01 -0.06 1.83 0.00 0.00 175.22 176.30 3hl9 s PHE 385 N 1.48 2.48 -0.36 10.12 0.08 -1.26 -1.56 117.98 128.97 3hl9 s PHE 385 Ca -0.03 -0.69 0.14 0.00 0.12 0.00 0.00 56.93 56.47 3hl9 s PHE 385 Cb -0.17 -1.75 0.45 0.00 -0.57 0.00 0.00 43.02 40.97 3hl9 s PHE 385 CO -0.07 0.42 1.00 1.04 -0.10 0.00 0.00 175.22 177.52 3hl9 n GLN 386 N -0.97 1.86 -4.71 0.44 1.13 -1.25 -4.55 117.38 109.34 3hl9 n GLN 386 Ca -0.05 -3.64 -0.25 0.00 -1.94 0.00 0.00 57.00 51.11 3hl9 n GLN 386 Cb 0.67 -1.56 -0.16 0.00 0.11 0.00 0.00 30.24 29.30 3hl9 n GLN 386 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3hl9 s LEU 387 N -3.26 1.80 0.13 1.08 2.96 -1.19 -2.26 118.68 117.94 3hl9 s LEU 387 Ca 0.34 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.98 3hl9 s LEU 387 Cb 0.44 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 3hl9 s LEU 387 CO -0.03 0.09 0.02 -1.61 -1.32 0.00 0.00 176.35 173.50 3hl9 s GLU 388 N 0.34 2.54 0.64 1.98 0.41 0.78 -3.58 118.70 121.80 3hl9 s GLU 388 Ca -0.09 -0.95 -0.03 0.00 -0.41 0.00 0.00 54.97 53.48 3hl9 s GLU 388 Cb -0.13 -2.48 0.05 0.00 -1.78 0.00 0.00 34.13 29.79 3hl9 s GLU 388 CO 0.03 0.50 0.92 -1.25 -0.49 0.00 0.00 175.26 174.97 3hl9 s PRO 389 N -2.67 2.32 0.75 0.39 0.04 -1.26 -1.91 135.00 132.65 3hl9 s PRO 389 Ca 0.27 -0.49 -0.16 0.00 0.04 0.00 0.00 61.00 60.66 3hl9 s PRO 389 Cb -0.11 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3hl9 s PRO 389 CO 0.19 -1.04 0.34 1.87 0.04 0.00 0.00 177.00 178.41 3hl9 n TRP 390 N -2.69 -1.43 -3.41 0.56 -0.00 -1.19 -3.79 117.44 105.49 3hl9 n TRP 390 Ca 0.08 0.32 -0.21 0.00 -0.00 0.00 0.00 57.50 57.69 3hl9 n TRP 390 Cb 0.60 -1.84 0.06 0.00 -0.00 0.00 0.00 31.31 30.13 3hl9 n TRP 390 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 3hl9 n ASN 391 N 0.19 -6.08 -4.78 5.87 5.15 -1.26 -4.97 115.26 109.37 3hl9 n ASN 391 Ca 0.08 -0.82 -0.39 0.00 -0.60 0.00 0.00 54.58 52.86 3hl9 n ASN 391 Cb 0.50 -4.56 -0.06 0.00 -0.53 0.00 0.00 39.78 35.14 3hl9 n ASN 391 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hl9 s ASP 392 N -3.44 6.96 0.17 1.20 -1.08 -1.25 -4.99 116.67 114.24 3hl9 s ASP 392 Ca 0.46 1.14 -0.15 0.00 -0.52 0.00 0.00 52.55 53.47 3hl9 s ASP 392 Cb -0.10 -2.35 0.12 0.00 -1.46 0.00 0.00 42.92 39.14 3hl9 s ASP 392 CO 0.78 0.16 1.71 -0.65 0.52 0.00 0.00 175.17 177.69 3hl9 h PRO 393 N 5.36 0.14 -0.32 4.34 0.11 -1.94 0.15 132.00 139.84 3hl9 h PRO 393 Ca -0.47 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3hl9 h PRO 393 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hl9 h PRO 393 CO 0.68 0.09 -0.49 -0.39 -0.21 0.00 0.00 178.00 177.68 3hl9 h VAL 394 N 0.14 1.27 -0.24 3.15 -1.51 -1.96 -0.76 116.25 116.35 3hl9 h VAL 394 Ca 0.20 -1.66 -0.03 0.00 -1.23 0.00 0.00 66.70 63.97 3hl9 h VAL 394 Cb 0.28 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 3hl9 h VAL 394 CO -0.31 0.55 0.01 0.00 -1.23 0.00 0.00 177.57 176.59 3hl9 h ARG 396 N 0.20 0.82 -0.68 0.00 2.43 -0.67 0.14 114.38 116.62 3hl9 h ARG 396 Ca 0.07 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3hl9 h ARG 396 Cb 0.38 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3hl9 h ARG 396 CO 0.01 0.55 0.20 0.22 -1.51 0.00 0.00 179.97 179.44 3hl9 h ASP 397 N 0.84 1.00 -0.16 -3.80 3.58 -0.95 0.25 116.42 117.18 3hl9 h ASP 397 Ca 0.23 -0.21 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 3hl9 h ASP 397 Cb -0.09 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.71 3hl9 h ASP 397 CO -0.05 0.95 -0.47 -0.07 -2.88 0.00 0.00 179.24 176.72 3hl9 h LEU 398 N 1.00 0.69 -0.06 2.28 4.07 -0.90 -2.25 115.31 120.14 3hl9 h LEU 398 Ca 0.22 -0.59 -0.00 0.00 0.08 0.00 0.00 57.88 57.59 3hl9 h LEU 398 Cb 0.31 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 3hl9 h LEU 398 CO -0.00 1.16 0.03 0.74 -1.08 0.00 0.00 178.44 179.29 3hl9 h THR 399 N 0.26 1.08 -0.70 0.22 2.02 -0.56 0.32 112.91 115.55 3hl9 h THR 399 Ca -0.01 -0.22 0.10 0.00 0.77 0.00 0.00 66.41 67.05 3hl9 h THR 399 Cb 1.09 1.12 -0.12 0.00 -1.74 0.00 0.00 68.15 68.50 3hl9 h THR 399 CO 0.10 0.06 -0.42 0.03 0.37 0.00 0.00 175.52 175.66 3hl9 h ARG 400 N 0.00 -0.15 0.00 6.66 2.47 -0.47 -1.18 114.38 121.71 3hl9 h ARG 400 Ca 0.02 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3hl9 h ARG 400 Cb 0.08 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3hl9 h ARG 400 CO -0.00 -0.10 0.00 1.79 0.56 0.00 0.00 179.97 182.22 3hl9 h THR 401 N -0.16 0.00 0.51 2.04 1.35 -1.06 -2.08 112.91 113.52 3hl9 h THR 401 Ca 0.22 -0.72 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 3hl9 h THR 401 Cb 0.56 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3hl9 h THR 401 CO -0.77 0.00 -0.24 0.15 -0.25 0.00 0.00 175.52 174.41 3hl9 h PHE 402 N 0.00 -0.63 0.19 4.73 3.57 0.76 -2.58 116.94 122.98 3hl9 h PHE 402 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hl9 h PHE 402 Cb 0.83 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3hl9 h PHE 402 CO 0.00 -0.30 -0.09 0.93 -2.23 0.00 0.00 178.31 176.61 3hl9 h GLU 403 N -0.98 -0.25 -0.99 1.11 5.08 -1.21 -2.10 114.58 115.24 3hl9 h GLU 403 Ca -0.07 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 58.62 3hl9 h GLU 403 Cb 0.61 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.74 3hl9 h GLU 403 CO 0.11 -0.11 0.22 0.45 -1.00 0.00 0.00 179.01 178.69 3hl9 h HIS 404 N -0.33 0.29 0.31 4.33 3.86 -1.48 0.74 115.15 122.86 3hl9 h HIS 404 Ca -0.03 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3hl9 h HIS 404 Cb 0.25 0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3hl9 h HIS 404 CO -0.04 -0.43 -0.15 0.00 0.86 0.00 0.00 177.93 178.17 3hl9 h ALA 405 N 1.97 -0.42 0.00 2.45 0.00 -0.98 -2.52 119.26 119.76 3hl9 h ALA 405 Ca 0.68 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 3hl9 h ALA 405 Cb 1.56 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 3hl9 h ALA 405 CO -0.85 -0.42 -0.18 -0.84 0.00 0.00 0.00 179.25 176.97 3hl9 h ILE 406 N -1.05 0.95 -0.72 0.00 -0.00 -1.19 -1.55 117.51 113.95 3hl9 h ILE 406 Ca -0.04 -0.65 -0.06 0.00 -0.00 0.00 0.00 64.86 64.11 3hl9 h ILE 406 Cb 0.43 1.37 -0.03 0.00 -0.00 0.00 0.00 36.82 38.59 3hl9 h ILE 406 CO 0.07 0.18 0.22 1.88 -0.00 0.00 0.00 178.15 180.50 3hl9 h TYR 407 N 0.00 1.16 0.08 0.16 -1.99 -0.93 -2.98 116.97 112.48 3hl9 h TYR 407 Ca -0.00 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.61 3hl9 h TYR 407 Cb 0.36 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.75 3hl9 h TYR 407 CO 0.00 0.92 -0.04 0.00 -0.00 0.00 0.00 178.16 179.04 3hl9 h ALA 408 N 1.11 -0.11 -0.16 3.88 0.00 -0.86 -2.69 119.26 120.43 3hl9 h ALA 408 Ca 0.23 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hl9 h ALA 408 Cb 0.31 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3hl9 h ALA 408 CO -0.01 -0.25 -0.39 0.37 0.00 0.00 0.00 179.25 178.96 3hl9 h GLN 409 N -0.73 -0.36 0.46 0.00 -0.00 -1.40 -2.15 115.11 110.93 3hl9 h GLN 409 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 3hl9 h GLN 409 Cb 0.57 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.14 3hl9 h GLN 409 CO 0.02 -0.24 -0.22 -0.92 0.00 0.00 0.00 178.83 177.47 3hl9 h TYR 410 N -0.38 -0.57 0.00 3.99 3.20 -1.65 -3.19 116.97 118.37 3hl9 h TYR 410 Ca 0.03 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3hl9 h TYR 410 Cb 0.47 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3hl9 h TYR 410 CO -0.59 -0.26 -0.23 -0.56 -1.64 0.00 0.00 178.16 174.88 3hl9 h GLN 411 N -1.03 0.00 -0.94 1.82 3.07 -1.57 -3.27 115.11 113.19 3hl9 h GLN 411 Ca -0.06 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.13 3hl9 h GLN 411 Cb 0.57 0.00 -0.43 0.00 0.08 0.00 0.00 27.48 27.70 3hl9 h GLN 411 CO 0.10 0.23 -0.81 1.04 0.09 0.00 0.00 178.83 179.48 3hl9 n GLN 412 N -3.29 3.47 0.00 0.06 6.02 -0.81 -5.08 117.38 117.75 3hl9 n GLN 412 Ca 0.01 -4.22 0.00 0.00 -0.01 0.00 0.00 57.00 52.78 3hl9 n GLN 412 Cb 0.49 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.52 3hl9 n GLN 412 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46