#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfs s LYS 10 N 0.00 0.39 -0.12 -1.58 -2.85 -1.26 -5.05 119.74 109.26 3hfs s LYS 10 Ca 0.00 -0.25 -0.04 0.00 -1.00 0.00 0.00 55.97 54.69 3hfs s LYS 10 Cb 0.00 -1.93 -0.03 0.00 -2.06 0.00 0.00 37.83 33.80 3hfs s LYS 10 CO 0.00 -0.64 0.01 0.99 0.10 0.00 0.00 175.35 175.82 3hfs s THR 11 N 1.99 4.39 0.01 3.79 2.01 -1.26 0.96 115.64 127.52 3hfs s THR 11 Ca 0.01 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.81 3hfs s THR 11 Cb -0.16 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3hfs s THR 11 CO -0.08 0.55 -0.02 0.00 -0.69 0.00 0.00 174.62 174.38 3hfs s ALA 12 N -0.37 0.12 -0.12 7.40 0.00 0.22 0.65 121.76 129.66 3hfs s ALA 12 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 3hfs s ALA 12 Cb -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3hfs s ALA 12 CO 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 175.76 175.66 3hfs s VAL 14 N 0.03 2.22 0.53 0.00 1.01 -0.08 0.44 120.40 124.54 3hfs s VAL 14 Ca -0.01 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 3hfs s VAL 14 Cb -0.14 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 3hfs s VAL 14 CO 0.03 0.27 0.96 -0.69 0.00 0.00 0.00 175.10 175.67 3hfs s VAL 15 N 1.22 4.64 -0.58 2.92 1.01 0.14 -2.86 120.40 126.88 3hfs s VAL 15 Ca -0.01 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 3hfs s VAL 15 Cb -0.16 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3hfs s VAL 15 CO -0.09 -0.83 0.64 0.61 0.00 0.00 0.00 175.10 175.44 3hfs n GLY 16 N -1.96 -0.84 0.00 4.51 0.00 -1.19 -4.66 105.19 101.05 3hfs n GLY 16 Ca 0.06 0.94 0.12 0.00 0.00 0.00 0.00 46.02 47.13 3hfs n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfs n GLY 17 N -0.84 -1.16 0.25 -0.02 0.00 0.43 -2.72 105.19 101.13 3hfs n GLY 17 Ca -0.06 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3hfs n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hfs n THR 18 N -1.37 0.00 -1.73 2.61 -2.24 -1.26 -3.35 114.28 106.94 3hfs n THR 18 Ca 0.09 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 3hfs n THR 18 Cb 0.22 0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.89 3hfs n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hfs n GLY 19 N 1.33 0.64 0.28 3.38 0.00 -1.10 -4.75 105.19 104.97 3hfs n GLY 19 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3hfs n GLY 19 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hfs h PHE 20 N 0.88 -0.65 0.68 1.61 3.57 -1.92 0.19 116.94 121.29 3hfs h PHE 20 Ca -0.51 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 3hfs h PHE 20 Cb 1.33 0.28 0.01 0.00 2.79 0.00 0.00 35.95 40.35 3hfs h PHE 20 CO 0.43 -0.34 -0.33 0.28 -2.23 0.00 0.00 178.31 176.12 3hfs h VAL 21 N -0.42 0.18 -0.43 1.41 2.07 -1.94 -3.31 116.25 113.80 3hfs h VAL 21 Ca 0.04 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.37 3hfs h VAL 21 Cb 0.47 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3hfs h VAL 21 CO -0.17 0.02 0.11 0.00 0.02 0.00 0.00 177.57 177.56 3hfs h ALA 22 N -0.97 0.49 -0.97 1.67 0.00 -1.79 1.09 119.26 118.78 3hfs h ALA 22 Ca -0.09 0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.08 3hfs h ALA 22 Cb 0.73 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 3hfs h ALA 22 CO 0.15 -0.28 0.57 0.66 0.00 0.00 0.00 179.25 180.35 3hfs h SER 23 N 0.26 0.70 1.06 0.00 4.64 -0.62 -0.09 113.55 119.50 3hfs h SER 23 Ca 0.21 0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.53 3hfs h SER 23 Cb 0.24 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3hfs h SER 23 CO -0.25 0.23 -0.50 0.25 -0.87 0.00 0.00 176.83 175.69 3hfs h LEU 24 N 0.69 0.00 -0.02 5.97 5.85 0.11 -2.37 115.31 125.54 3hfs h LEU 24 Ca 0.57 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.29 3hfs h LEU 24 Cb 0.92 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3hfs h LEU 24 CO -0.40 0.50 0.01 -0.07 -0.34 0.00 0.00 178.44 178.13 3hfs h LEU 25 N 0.00 0.03 -0.26 2.25 3.38 -0.11 -1.06 115.31 119.53 3hfs h LEU 25 Ca -0.00 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hfs h LEU 25 Cb 1.16 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 3hfs h LEU 25 CO 0.06 0.25 -0.41 0.58 0.09 0.00 0.00 178.44 179.01 3hfs h VAL 26 N -0.18 0.00 0.15 1.22 2.07 -1.17 0.45 116.25 118.78 3hfs h VAL 26 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3hfs h VAL 26 Cb 0.23 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 3hfs h VAL 26 CO 0.00 0.00 -0.38 0.50 0.02 0.00 0.00 177.57 177.71 3hfs h LYS 27 N -0.32 -0.61 -0.88 1.57 3.64 -1.43 -0.06 116.57 118.48 3hfs h LYS 27 Ca 0.05 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.65 3hfs h LYS 27 Cb 0.45 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.34 3hfs h LYS 27 CO -0.41 -0.41 0.58 -0.07 -2.27 0.00 0.00 179.45 176.87 3hfs h LEU 28 N -0.63 0.46 0.13 5.20 4.07 -0.61 -1.86 115.31 122.06 3hfs h LEU 28 Ca 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3hfs h LEU 28 Cb 0.65 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.35 3hfs h LEU 28 CO -0.21 0.20 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.22 3hfs h LEU 29 N 0.47 -0.15 -0.95 1.67 3.38 0.12 -2.65 115.31 117.19 3hfs h LEU 29 Ca 0.45 -0.40 0.22 0.00 0.09 0.00 0.00 57.88 58.24 3hfs h LEU 29 Cb 1.04 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 3hfs h LEU 29 CO -0.18 0.38 0.52 -0.07 0.09 0.00 0.00 178.44 179.18 3hfs h LEU 30 N -0.75 0.57 -1.70 1.67 3.38 -0.33 0.76 115.31 118.91 3hfs h LEU 30 Ca -0.02 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hfs h LEU 30 Cb 0.54 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hfs h LEU 30 CO 0.03 0.11 -0.15 1.56 0.09 0.00 0.00 178.44 180.08 3hfs h GLN 31 N 0.56 0.00 -0.54 1.13 4.20 -1.32 -0.29 115.11 118.85 3hfs h GLN 31 Ca 0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.30 3hfs h GLN 31 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3hfs h GLN 31 CO -0.47 0.15 0.00 1.63 -0.67 0.00 0.00 178.83 179.48 3hfs n LYS 32 N -3.57 1.78 -1.83 1.46 5.02 0.26 -4.86 118.16 116.42 3hfs n LYS 32 Ca -0.01 -0.80 -0.13 0.00 -2.02 0.00 0.00 58.31 55.34 3hfs n LYS 32 Cb 0.29 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3hfs n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hfs n GLY 33 N 0.50 0.60 3.81 0.72 0.00 -0.12 -4.99 105.19 105.71 3hfs n GLY 33 Ca 0.07 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 3hfs n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hfs s TYR 34 N -2.58 3.16 -0.14 1.61 1.51 -0.83 -4.57 117.35 115.50 3hfs s TYR 34 Ca 0.00 1.58 -0.19 0.00 -1.01 0.00 0.00 57.07 57.45 3hfs s TYR 34 Cb 0.00 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.86 3hfs s TYR 34 CO 0.00 -0.52 0.51 0.00 -1.11 0.00 0.00 175.55 174.44 3hfs s ALA 35 N -2.13 3.49 -0.02 3.71 0.00 0.27 -4.44 121.76 122.64 3hfs s ALA 35 Ca 0.64 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3hfs s ALA 35 Cb -0.13 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.26 3hfs s ALA 35 CO 0.19 -0.16 -0.04 0.08 0.00 0.00 0.00 175.76 175.83 3hfs s VAL 36 N 0.99 0.39 0.03 0.00 1.01 -0.96 0.73 120.40 122.60 3hfs s VAL 36 Ca 0.26 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3hfs s VAL 36 Cb -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3hfs s VAL 36 CO 0.11 0.14 -0.13 0.20 0.00 0.00 0.00 175.10 175.42 3hfs s ASN 37 N 0.31 1.49 0.02 3.32 -0.87 -0.74 -1.39 114.94 117.08 3hfs s ASN 37 Ca -0.03 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.86 3hfs s ASN 37 Cb -0.07 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.25 41.05 3hfs s ASN 37 CO -0.00 0.03 -0.05 0.28 -2.57 0.00 0.00 177.10 174.78 3hfs s THR 38 N -0.78 0.32 0.51 1.60 -1.32 -1.12 -0.91 115.64 113.94 3hfs s THR 38 Ca 0.01 -0.75 -0.01 0.00 -1.21 0.00 0.00 61.69 59.73 3hfs s THR 38 Cb -0.07 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.54 3hfs s THR 38 CO 0.01 -0.28 0.76 0.42 -2.21 0.00 0.00 174.62 173.31 3hfs s THR 39 N -1.02 3.57 -0.05 5.08 -4.23 -1.14 -2.74 115.64 115.12 3hfs s THR 39 Ca -0.09 -0.41 -0.23 0.00 -1.18 0.00 0.00 61.69 59.79 3hfs s THR 39 Cb -0.07 -3.35 0.05 0.00 1.34 0.00 0.00 72.50 70.46 3hfs s THR 39 CO -0.00 -0.28 0.51 0.68 -0.54 0.00 0.00 174.62 174.99 3hfs s VAL 40 N -2.73 0.02 0.06 2.29 -7.23 -1.12 -0.43 120.40 111.27 3hfs s VAL 40 Ca 0.52 -0.20 -0.27 0.00 -1.81 0.00 0.00 61.98 60.22 3hfs s VAL 40 Cb -0.10 -0.82 -0.17 0.00 0.56 0.00 0.00 36.38 35.85 3hfs s VAL 40 CO 0.40 -0.11 1.57 -0.09 -0.31 0.00 0.00 175.10 176.56 3hfs h ARG 41 N 3.57 -0.37 -2.55 4.82 9.65 -1.92 -1.99 114.38 125.58 3hfs h ARG 41 Ca -0.28 0.03 -0.48 0.00 -1.10 0.00 0.00 59.98 58.14 3hfs h ARG 41 Cb 1.16 0.08 -0.38 0.00 -1.39 0.00 0.00 29.97 29.45 3hfs h ARG 41 CO 0.37 -0.18 -0.75 -0.51 2.80 0.00 0.00 179.97 181.70 3hfs s ASP 42 N -4.93 2.87 0.53 -3.80 1.11 -1.26 -4.56 116.67 106.62 3hfs s ASP 42 Ca -0.15 -1.31 0.28 0.00 0.18 0.00 0.00 52.55 51.55 3hfs s ASP 42 Cb 0.04 -0.10 1.52 0.00 1.07 0.00 0.00 42.92 45.45 3hfs s ASP 42 CO 0.63 -0.40 1.83 -0.65 1.18 0.00 0.00 175.17 177.76 3hfs h PRO 43 N 8.09 0.00 -0.95 8.23 0.11 -1.95 -3.09 132.00 142.43 3hfs h PRO 43 Ca -0.13 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.18 3hfs h PRO 43 Cb 1.02 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.02 3hfs h PRO 43 CO 0.37 0.00 0.52 -0.44 -0.21 0.00 0.00 178.00 178.25 3hfs h ASP 44 N 0.00 0.61 -2.69 -2.05 3.32 -1.98 -3.41 116.42 110.21 3hfs h ASP 44 Ca 0.00 0.12 -0.56 0.00 0.02 0.00 0.00 57.03 56.61 3hfs h ASP 44 Cb 0.40 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3hfs h ASP 44 CO 0.00 0.17 1.24 0.21 -1.72 0.00 0.00 179.24 179.13 3hfs s ASN 45 N -5.32 5.89 0.25 6.45 3.84 -1.17 -4.87 114.94 120.02 3hfs s ASN 45 Ca -0.11 1.01 -0.02 0.00 0.21 0.00 0.00 52.86 53.95 3hfs s ASN 45 Cb 0.25 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.73 3hfs s ASN 45 CO 0.79 -1.76 1.73 0.06 -2.79 0.00 0.00 177.10 175.13 3hfs h GLN 46 N 12.68 0.75 0.60 0.43 3.07 -1.94 -2.31 115.11 128.40 3hfs h GLN 46 Ca -0.31 -0.23 -0.03 0.00 0.09 0.00 0.00 58.65 58.17 3hfs h GLN 46 Cb 1.15 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 28.64 3hfs h GLN 46 CO 1.08 0.81 -0.29 1.57 0.09 0.00 0.00 178.83 182.09 3hfs h LYS 47 N 0.69 -0.78 0.00 0.06 -0.00 -1.96 -2.38 116.57 112.20 3hfs h LYS 47 Ca 0.12 0.05 -0.03 0.00 -0.00 0.00 0.00 60.65 60.80 3hfs h LYS 47 Cb 0.53 0.18 -0.00 0.00 -0.00 0.00 0.00 32.23 32.93 3hfs h LYS 47 CO 0.03 -0.50 -0.15 1.57 -0.00 0.00 0.00 179.45 180.40 3hfs h LYS 48 N -0.88 0.00 0.00 0.07 -0.00 -1.93 -2.82 116.57 111.01 3hfs h LYS 48 Ca -0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 60.65 60.32 3hfs h LYS 48 Cb 0.65 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.83 3hfs h LYS 48 CO 0.14 0.15 -1.52 -0.39 -0.00 0.00 0.00 179.45 177.83 3hfs h VAL 49 N 0.00 0.81 -0.62 0.07 -1.51 -1.46 -3.42 116.25 110.12 3hfs h VAL 49 Ca -0.00 -2.54 0.25 0.00 -1.23 0.00 0.00 66.70 63.18 3hfs h VAL 49 Cb 0.56 2.34 -0.11 0.00 -2.13 0.00 0.00 31.29 31.94 3hfs h VAL 49 CO 0.02 0.46 0.28 -0.24 -1.23 0.00 0.00 177.57 176.86 3hfs n SER 50 N -3.03 0.17 0.11 4.19 2.88 -0.90 0.12 113.62 117.16 3hfs n SER 50 Ca -0.13 1.04 -0.01 0.00 -1.33 0.00 0.00 58.87 58.44 3hfs n SER 50 Cb 0.97 -0.48 0.26 0.00 -0.75 0.00 0.00 64.21 64.21 3hfs n SER 50 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3hfs h HIS 51 N 0.00 0.23 -0.35 0.66 2.07 -1.81 -3.14 115.15 112.81 3hfs h HIS 51 Ca 0.50 -0.06 -0.15 0.00 -2.85 0.00 0.00 60.37 57.82 3hfs h HIS 51 Cb 1.29 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.21 3hfs h HIS 51 CO -0.06 0.55 -0.39 -0.07 -3.07 0.00 0.00 177.93 174.89 3hfs h LEU 52 N 0.17 0.88 0.16 6.12 3.38 0.57 -3.21 115.31 123.38 3hfs h LEU 52 Ca 0.02 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hfs h LEU 52 Cb 0.75 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hfs h LEU 52 CO 0.06 1.16 -0.40 -0.07 0.09 0.00 0.00 178.44 179.28 3hfs h LEU 53 N 0.68 -1.19 -1.65 1.67 4.07 -1.49 -1.42 115.31 115.98 3hfs h LEU 53 Ca 0.06 0.12 0.28 0.00 0.08 0.00 0.00 57.88 58.41 3hfs h LEU 53 Cb 0.95 0.43 -0.04 0.00 1.08 0.00 0.00 40.66 43.08 3hfs h LEU 53 CO 0.09 -0.45 0.91 -0.33 -1.08 0.00 0.00 178.44 177.58 3hfs h GLU 54 N -0.63 0.00 0.00 1.13 3.07 -1.60 0.76 114.58 117.32 3hfs h GLU 54 Ca -0.02 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 3hfs h GLU 54 Cb 0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3hfs h GLU 54 CO -0.18 0.00 -0.30 -0.07 -1.40 0.00 0.00 179.01 177.06 3hfs h LEU 55 N 0.00 0.00 -1.82 1.33 3.38 -1.25 -3.25 115.31 113.70 3hfs h LEU 55 Ca 0.45 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.46 3hfs h LEU 55 Cb 2.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.01 3hfs h LEU 55 CO -0.00 0.30 0.18 1.56 0.09 0.00 0.00 178.44 180.57 3hfs h GLN 56 N 0.00 0.23 -0.59 1.13 4.20 -0.86 0.36 115.11 119.58 3hfs h GLN 56 Ca -0.00 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.86 3hfs h GLN 56 Cb 0.98 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 3hfs h GLN 56 CO 0.04 0.15 0.52 0.93 -0.67 0.00 0.00 178.83 179.80 3hfs h GLU 57 N 0.24 0.00 0.00 1.46 5.08 -1.74 -1.18 114.58 118.44 3hfs h GLU 57 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hfs h GLU 57 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hfs h GLU 57 CO -0.02 0.00 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.90 3hfs h LEU 58 N 0.00 0.00 0.00 1.33 4.07 -1.14 -3.50 115.31 116.07 3hfs h LEU 58 Ca 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 3hfs h LEU 58 Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3hfs h LEU 58 CO -0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3hfs n GLY 59 N 1.18 -0.61 3.50 0.83 0.00 -0.45 -4.59 105.19 105.06 3hfs n GLY 59 Ca 0.05 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 3hfs n GLY 59 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hfs s ASP 60 N -4.00 6.81 -0.31 1.61 -4.77 -1.26 -4.65 116.67 110.10 3hfs s ASP 60 Ca 0.00 -2.37 -0.10 0.00 -3.30 0.00 0.00 52.55 46.78 3hfs s ASP 60 Cb 0.00 -2.47 -0.01 0.00 -1.09 0.00 0.00 42.92 39.35 3hfs s ASP 60 CO 0.00 -1.05 0.15 -0.22 0.70 0.00 0.00 175.17 174.75 3hfs s LEU 61 N 3.00 4.09 -0.17 2.11 2.96 -1.25 -2.25 118.68 127.16 3hfs s LEU 61 Ca 0.43 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 3hfs s LEU 61 Cb -0.01 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3hfs s LEU 61 CO -0.02 -0.18 0.27 -0.54 -1.32 0.00 0.00 176.35 174.55 3hfs s LYS 62 N 1.62 4.25 -0.38 1.98 1.02 -0.48 -4.94 119.74 122.81 3hfs s LYS 62 Ca 0.05 0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.95 3hfs s LYS 62 Cb -0.17 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 3hfs s LYS 62 CO 0.06 0.24 0.25 0.42 -0.92 0.00 0.00 175.35 175.41 3hfs s ILE 63 N 0.47 4.97 0.18 2.17 1.09 -1.26 -2.79 121.20 126.02 3hfs s ILE 63 Ca 0.15 -0.67 -0.02 0.00 -1.10 0.00 0.00 60.65 59.01 3hfs s ILE 63 Cb -0.13 -3.73 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 3hfs s ILE 63 CO 0.03 -0.22 0.39 -0.36 -0.10 0.00 0.00 174.94 174.68 3hfs s PHE 64 N 1.63 3.48 -0.18 3.97 0.08 -1.11 -5.01 117.98 120.84 3hfs s PHE 64 Ca 0.04 0.43 -0.08 0.00 0.12 0.00 0.00 56.93 57.44 3hfs s PHE 64 Cb -0.19 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 3hfs s PHE 64 CO 0.09 0.39 0.09 0.50 -0.10 0.00 0.00 175.22 176.18 3hfs s ARG 65 N -3.10 3.98 -0.17 0.44 3.00 -1.26 -2.79 118.95 119.05 3hfs s ARG 65 Ca 0.40 -0.29 -0.29 0.00 -1.00 0.00 0.00 55.73 54.55 3hfs s ARG 65 Cb -0.11 -3.26 0.10 0.00 0.00 0.00 0.00 34.95 31.68 3hfs s ARG 65 CO 0.28 0.33 0.88 0.00 0.00 0.00 0.00 175.30 176.79 3hfs s ALA 66 N 0.23 -1.88 0.02 6.12 0.00 -0.75 -4.88 121.76 120.63 3hfs s ALA 66 Ca 0.06 1.63 0.07 0.00 0.00 0.00 0.00 51.96 53.72 3hfs s ALA 66 Cb -0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 3hfs s ALA 66 CO -0.00 -0.31 -0.21 0.34 0.00 0.00 0.00 175.76 175.58 3hfs s ASP 67 N -0.66 3.58 0.07 0.00 -1.08 -1.26 -3.69 116.67 113.62 3hfs s ASP 67 Ca -0.03 -0.44 0.09 0.00 -0.52 0.00 0.00 52.55 51.65 3hfs s ASP 67 Cb -0.02 -0.53 0.40 0.00 -1.46 0.00 0.00 42.92 41.31 3hfs s ASP 67 CO 0.02 0.28 1.27 0.18 0.52 0.00 0.00 175.17 177.44 3hfs n LEU 68 N 1.85 0.13 0.05 -1.34 4.77 -1.26 -1.59 117.00 119.61 3hfs n LEU 68 Ca -0.16 0.55 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 3hfs n LEU 68 Cb 0.52 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.95 3hfs n LEU 68 CO 0.25 -0.51 0.07 0.74 -1.33 0.00 0.00 177.39 176.61 3hfs h THR 69 N 0.00 1.30 -3.55 -5.08 2.02 -1.93 -3.33 112.91 102.33 3hfs h THR 69 Ca 0.00 -2.27 -0.67 0.00 0.77 0.00 0.00 66.41 64.24 3hfs h THR 69 Cb 0.09 2.47 -0.28 0.00 -1.74 0.00 0.00 68.15 68.70 3hfs h THR 69 CO 0.00 0.70 -0.67 -0.62 0.37 0.00 0.00 175.52 175.30 3hfs s ASP 70 N -7.26 4.79 0.48 4.18 2.15 -0.62 -4.99 116.67 115.41 3hfs s ASP 70 Ca -0.10 -0.68 0.27 0.00 0.43 0.00 0.00 52.55 52.47 3hfs s ASP 70 Cb 0.06 -1.80 0.95 0.00 -0.30 0.00 0.00 42.92 41.83 3hfs s ASP 70 CO 0.91 -0.14 1.83 1.05 -0.17 0.00 0.00 175.17 178.65 3hfs h GLU 71 N 8.16 0.00 0.00 4.34 4.11 -1.88 -2.82 114.58 126.48 3hfs h GLU 71 Ca -0.34 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.95 3hfs h GLU 71 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3hfs h GLU 71 CO 0.59 0.10 -0.67 1.37 0.07 0.00 0.00 179.01 180.47 3hfs h LEU 72 N 0.00 0.00 -1.31 3.06 -0.00 -1.94 -3.05 115.31 112.08 3hfs h LEU 72 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.99 3hfs h LEU 72 Cb 0.73 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.33 3hfs h LEU 72 CO 0.01 0.67 0.54 0.28 -0.00 0.00 0.00 178.44 179.95 3hfs h SER 73 N 0.00 0.68 1.49 0.17 0.02 -1.84 -2.30 113.55 111.76 3hfs h SER 73 Ca -0.01 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3hfs h SER 73 Cb 1.28 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3hfs h SER 73 CO 0.09 0.38 -0.51 -0.26 -1.14 0.00 0.00 176.83 175.39 3hfs h PHE 74 N 0.74 0.00 -0.84 3.45 0.04 -1.66 -3.24 116.94 115.44 3hfs h PHE 74 Ca 0.40 0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.24 3hfs h PHE 74 Cb 0.52 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.62 3hfs h PHE 74 CO -0.00 0.02 0.54 0.93 -0.60 0.00 0.00 178.31 179.21 3hfs h GLU 75 N 0.00 0.85 0.15 1.51 3.07 -1.34 -0.81 114.58 118.01 3hfs h GLU 75 Ca -0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3hfs h GLU 75 Cb 1.02 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3hfs h GLU 75 CO 0.00 0.56 -0.09 0.00 -1.40 0.00 0.00 179.01 178.09 3hfs h ALA 76 N 1.56 -0.97 -0.90 3.43 0.00 -1.61 -3.15 119.26 117.61 3hfs h ALA 76 Ca 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3hfs h ALA 76 Cb 0.30 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3hfs h ALA 76 CO -0.14 -0.96 0.51 -1.35 0.00 0.00 0.00 179.25 177.30 3hfs h PRO 77 N -0.22 1.25 0.00 0.00 0.11 -1.71 -3.15 132.00 128.28 3hfs h PRO 77 Ca -0.02 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3hfs h PRO 77 Cb 0.18 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3hfs h PRO 77 CO 0.02 0.91 0.00 -0.89 -0.21 0.00 0.00 178.00 177.83 3hfs n ILE 78 N -4.34 0.06 -3.99 4.15 -0.00 -0.31 -4.69 119.36 110.22 3hfs n ILE 78 Ca 0.10 0.01 -0.35 0.00 -0.00 0.00 0.00 62.75 62.51 3hfs n ILE 78 Cb 0.09 -0.68 -0.09 0.00 -0.00 0.00 0.00 39.64 38.96 3hfs n ILE 78 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hfs s ALA 79 N -2.08 3.49 0.00 -1.39 0.00 -1.19 -3.88 121.76 116.70 3hfs s ALA 79 Ca 0.30 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3hfs s ALA 79 Cb 0.14 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3hfs s ALA 79 CO 0.25 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.69 3hfs n GLY 80 N 3.21 3.32 3.78 0.00 0.00 -1.26 -5.03 105.19 109.20 3hfs n GLY 80 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3hfs n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfs h ASP 82 N 4.81 0.63 -3.63 0.00 3.45 -0.05 -2.90 116.42 118.72 3hfs h ASP 82 Ca -0.47 -0.40 -0.58 0.00 0.43 0.00 0.00 57.03 56.01 3hfs h ASP 82 Cb 1.21 -0.18 -0.32 0.00 -0.56 0.00 0.00 39.33 39.47 3hfs h ASP 82 CO 0.67 1.15 -0.84 -0.36 -1.57 0.00 0.00 179.24 178.29 3hfs s PHE 83 N -3.71 1.85 -0.21 4.55 0.08 -1.21 0.15 117.98 119.49 3hfs s PHE 83 Ca -0.07 -0.64 -0.05 0.00 0.12 0.00 0.00 56.93 56.29 3hfs s PHE 83 Cb 0.10 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3hfs s PHE 83 CO 0.86 -0.26 0.00 0.54 -0.10 0.00 0.00 175.22 176.26 3hfs s VAL 84 N 0.29 3.90 -0.18 -0.44 0.11 -1.08 0.82 120.40 123.82 3hfs s VAL 84 Ca -0.11 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3hfs s VAL 84 Cb -0.14 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 31.92 3hfs s VAL 84 CO 0.04 0.42 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.82 3hfs s PHE 85 N 1.14 2.96 -0.02 1.54 0.40 0.17 -1.10 117.98 123.06 3hfs s PHE 85 Ca 0.03 -0.60 0.04 0.00 -0.60 0.00 0.00 56.93 55.80 3hfs s PHE 85 Cb -0.14 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 3hfs s PHE 85 CO 0.01 -0.27 -0.15 -1.58 0.70 0.00 0.00 175.22 173.94 3hfs s HIS 86 N 0.82 1.36 -0.55 0.36 2.46 -1.16 0.24 115.29 118.82 3hfs s HIS 86 Ca -0.02 -0.28 -0.11 0.00 0.47 0.00 0.00 55.06 55.13 3hfs s HIS 86 Cb -0.15 -0.88 0.14 0.00 -0.13 0.00 0.00 32.58 31.56 3hfs s HIS 86 CO 0.02 -0.04 0.44 0.08 -2.47 0.00 0.00 174.74 172.76 3hfs s VAL 87 N -0.27 4.54 0.57 0.89 1.01 -1.26 -0.45 120.40 125.41 3hfs s VAL 87 Ca 0.04 -1.93 0.27 0.00 0.00 0.00 0.00 61.98 60.36 3hfs s VAL 87 Cb -0.07 -3.94 0.33 0.00 0.00 0.00 0.00 36.38 32.71 3hfs s VAL 87 CO -0.00 -0.84 2.22 0.00 0.00 0.00 0.00 175.10 176.48 3hfs h ALA 88 N 8.32 1.59 -2.36 5.51 0.00 -0.38 -3.33 119.26 128.61 3hfs h ALA 88 Ca -0.17 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 3hfs h ALA 88 Cb 1.06 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 3hfs h ALA 88 CO 0.87 0.01 -0.88 0.25 0.00 0.00 0.00 179.25 179.50 3hfs n THR 89 N -3.95 0.00 -2.19 0.00 -2.24 -1.22 -4.82 114.28 99.86 3hfs n THR 89 Ca -0.03 -4.14 -0.41 0.00 -2.27 0.00 0.00 64.05 57.20 3hfs n THR 89 Cb 0.10 -1.91 -0.03 0.00 -2.10 0.00 0.00 70.33 66.39 3hfs n THR 89 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3hfs s PRO 90 N -0.98 4.37 0.63 -0.78 0.02 -1.25 -4.79 135.00 132.23 3hfs s PRO 90 Ca 0.33 2.09 -0.18 0.00 0.02 0.00 0.00 61.00 63.26 3hfs s PRO 90 Cb 0.08 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 3hfs s PRO 90 CO -0.14 -0.26 1.18 0.28 -0.33 0.00 0.00 177.00 177.73 3hfs n VAL 91 N 2.45 4.51 -4.18 3.83 0.31 -1.26 -4.95 118.33 119.04 3hfs n VAL 91 Ca 0.06 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.71 3hfs n VAL 91 Cb 0.42 -1.38 -0.12 0.00 -0.91 0.00 0.00 33.84 31.85 3hfs n VAL 91 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3hfs s HIS 92 N -1.43 1.18 -0.24 3.52 2.46 -1.26 -4.68 115.29 114.84 3hfs s HIS 92 Ca 0.80 -0.45 -0.12 0.00 0.47 0.00 0.00 55.06 55.75 3hfs s HIS 92 Cb -0.39 -0.67 0.08 0.00 -0.13 0.00 0.00 32.58 31.47 3hfs s HIS 92 CO 0.43 0.05 0.58 -0.59 -2.47 0.00 0.00 174.74 172.73 3hfs s PHE 93 N -1.25 -0.96 -1.27 3.88 -0.00 -1.26 -2.40 117.98 114.72 3hfs s PHE 93 Ca -0.02 1.88 -0.29 0.00 -0.00 0.00 0.00 56.93 58.49 3hfs s PHE 93 Cb -0.10 0.53 0.04 0.00 -0.00 0.00 0.00 43.02 43.49 3hfs s PHE 93 CO 0.02 -0.50 0.55 0.00 -0.00 0.00 0.00 175.22 175.30 3hfs n ALA 94 N 4.60 -2.50 -2.57 1.99 0.00 -1.26 -5.01 120.51 115.75 3hfs n ALA 94 Ca -0.18 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 3hfs n ALA 94 Cb 0.55 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.70 3hfs n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hfs s SER 95 N -3.69 0.08 0.04 0.00 0.01 -1.26 -5.10 113.70 103.78 3hfs s SER 95 Ca 0.41 -1.13 -0.22 0.00 1.31 0.00 0.00 55.95 56.31 3hfs s SER 95 Cb -0.23 0.44 -0.15 0.00 0.21 0.00 0.00 66.02 66.29 3hfs s SER 95 CO 0.98 -0.92 1.42 1.05 0.41 0.00 0.00 173.24 176.18 3hfs h GLU 96 N 2.53 0.21 0.00 12.44 9.09 -1.96 -3.49 114.58 133.40 3hfs h GLU 96 Ca -0.32 -0.08 0.00 0.00 0.05 0.00 0.00 59.36 59.01 3hfs h GLU 96 Cb 1.24 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 3hfs h GLU 96 CO 0.48 0.51 0.00 -3.47 0.05 0.00 0.00 179.01 176.58 3hfs n ASP 97 N -4.76 0.00 0.00 3.06 2.03 -1.26 -4.74 116.55 110.88 3hfs n ASP 97 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 3hfs n ASP 97 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 3hfs n ASP 97 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3hfs n MET 102 N 0.62 0.00 -0.04 -0.67 0.00 -1.26 -5.20 117.12 110.57 3hfs n MET 102 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.66 3hfs n MET 102 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 3hfs n MET 102 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 3hfs n ILE 103 N -1.66 0.53 -0.19 2.02 2.08 -1.26 -4.48 119.36 116.40 3hfs n ILE 103 Ca 0.00 -0.33 -0.01 0.00 0.56 0.00 0.00 62.75 62.97 3hfs n ILE 103 Cb 0.00 -0.79 0.09 0.00 -0.75 0.00 0.00 39.64 38.18 3hfs n ILE 103 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 3hfs h LYS 104 N 0.00 0.41 -0.37 0.38 5.09 -2.03 -0.38 116.57 119.67 3hfs h LYS 104 Ca -0.21 -0.02 0.04 0.00 0.09 0.00 0.00 60.65 60.54 3hfs h LYS 104 Cb 1.48 -0.09 -0.04 0.00 0.10 0.00 0.00 32.23 33.68 3hfs h LYS 104 CO 0.01 0.27 0.15 -1.35 -2.09 0.00 0.00 179.45 176.44 3hfs h PRO 105 N 0.42 0.30 0.19 0.07 0.11 -1.99 -0.34 132.00 130.76 3hfs h PRO 105 Ca 0.28 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.38 3hfs h PRO 105 Cb 0.31 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 3hfs h PRO 105 CO -0.27 0.20 -0.31 0.00 -0.21 0.00 0.00 178.00 177.41 3hfs h ALA 106 N 1.22 -0.58 -0.87 -0.75 0.00 -1.68 0.55 119.26 117.15 3hfs h ALA 106 Ca 0.17 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3hfs h ALA 106 Cb 0.12 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 3hfs h ALA 106 CO -0.15 -0.88 0.49 0.82 0.00 0.00 0.00 179.25 179.53 3hfs h ILE 107 N -0.58 0.82 -0.02 0.00 1.08 -0.82 0.19 117.51 118.18 3hfs h ILE 107 Ca 0.01 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3hfs h ILE 107 Cb 0.58 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 3hfs h ILE 107 CO -0.14 0.14 0.01 -0.61 -0.69 0.00 0.00 178.15 176.86 3hfs h GLN 108 N 0.75 0.03 0.35 2.37 4.15 -0.41 -2.89 115.11 119.46 3hfs h GLN 108 Ca 0.45 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.87 3hfs h GLN 108 Cb 0.54 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3hfs h GLN 108 CO -0.31 0.10 -0.45 0.78 -1.93 0.00 0.00 178.83 177.02 3hfs h GLY 109 N -0.06 -1.05 2.00 2.39 0.00 0.29 -1.90 103.07 104.74 3hfs h GLY 109 Ca 0.01 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 3hfs h GLY 109 CO -0.00 -0.32 -0.03 -0.39 0.00 0.00 0.00 176.54 175.79 3hfs h VAL 110 N -0.84 0.27 0.11 4.60 -1.51 -0.94 -1.52 116.25 116.41 3hfs h VAL 110 Ca -0.03 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.24 3hfs h VAL 110 Cb 0.77 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3hfs h VAL 110 CO -0.12 0.03 -0.05 -0.37 -1.23 0.00 0.00 177.57 175.83 3hfs h VAL 111 N 0.00 0.45 -0.55 7.19 -1.51 -1.25 -2.60 116.25 117.98 3hfs h VAL 111 Ca -0.00 -1.17 0.09 0.00 -1.23 0.00 0.00 66.70 64.39 3hfs h VAL 111 Cb 0.14 0.82 -0.10 0.00 -2.13 0.00 0.00 31.29 30.02 3hfs h VAL 111 CO 0.00 0.14 -0.42 0.78 -1.23 0.00 0.00 177.57 176.84 3hfs h ASN 112 N -1.00 -1.44 -0.17 4.19 2.35 -0.96 0.47 115.58 119.02 3hfs h ASN 112 Ca -0.01 0.24 0.05 0.00 -0.55 0.00 0.00 56.30 56.03 3hfs h ASN 112 Cb 0.34 0.66 -0.06 0.00 0.05 0.00 0.00 38.32 39.30 3hfs h ASN 112 CO 0.02 -0.34 -0.24 0.58 -1.65 0.00 0.00 177.43 175.81 3hfs h VAL 113 N -0.24 0.42 -0.13 2.81 2.07 -1.45 0.11 116.25 119.85 3hfs h VAL 113 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3hfs h VAL 113 Cb 0.57 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3hfs h VAL 113 CO -0.66 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.10 3hfs h MET 114 N -0.28 0.19 0.92 1.57 2.86 -0.92 -2.58 114.93 116.69 3hfs h MET 114 Ca 0.11 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3hfs h MET 114 Cb 0.45 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.09 3hfs h MET 114 CO -0.33 0.27 -0.44 0.87 1.06 0.00 0.00 176.91 178.34 3hfs h LYS 115 N 0.19 -1.20 -1.20 1.72 1.57 0.11 -2.85 116.57 114.91 3hfs h LYS 115 Ca 0.04 0.08 0.35 0.00 -1.87 0.00 0.00 60.65 59.25 3hfs h LYS 115 Cb 0.25 0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 3hfs h LYS 115 CO 0.01 -0.80 1.09 0.00 -0.57 0.00 0.00 179.45 179.19 3hfs h ALA 116 N -1.39 3.09 0.00 3.86 0.00 -0.49 1.32 119.26 125.65 3hfs h ALA 116 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hfs h ALA 116 Cb 0.95 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hfs h ALA 116 CO 0.21 -1.71 -0.30 0.00 0.00 0.00 0.00 179.25 177.45 3hfs h THR 118 N 0.00 1.31 -0.54 0.00 1.35 0.18 -3.16 112.91 112.05 3hfs h THR 118 Ca 0.00 -1.52 -0.33 0.00 -0.55 0.00 0.00 66.41 64.01 3hfs h THR 118 Cb 0.58 1.66 -0.16 0.00 -1.73 0.00 0.00 68.15 68.50 3hfs h THR 118 CO 0.00 0.48 0.42 0.54 -0.25 0.00 0.00 175.52 176.71 3hfs n ARG 119 N -4.24 1.80 -3.71 4.72 1.74 -1.20 -4.55 116.66 111.23 3hfs n ARG 119 Ca -0.04 -1.70 -0.26 0.00 -0.77 0.00 0.00 57.85 55.08 3hfs n ARG 119 Cb 0.50 -1.67 -0.17 0.00 -1.02 0.00 0.00 32.46 30.10 3hfs n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hfs s ALA 120 N -1.93 0.76 0.03 7.54 0.00 -1.20 -4.99 121.76 121.98 3hfs s ALA 120 Ca 0.33 -0.43 0.20 0.00 0.00 0.00 0.00 51.96 52.07 3hfs s ALA 120 Cb 0.27 -1.01 0.61 0.00 0.00 0.00 0.00 23.12 22.98 3hfs s ALA 120 CO 0.02 -0.97 1.69 0.87 0.00 0.00 0.00 175.76 177.38 3hfs h LYS 121 N 8.31 0.00 0.01 0.00 6.56 -1.84 -3.25 116.57 126.36 3hfs h LYS 121 Ca -0.16 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.45 3hfs h LYS 121 Cb 1.13 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.76 3hfs h LYS 121 CO 0.30 0.32 -0.14 0.66 -2.06 0.00 0.00 179.45 178.53 3hfs h SER 122 N 0.00 -0.40 -1.31 0.86 4.64 -1.93 -3.44 113.55 111.96 3hfs h SER 122 Ca -0.00 0.06 -0.67 0.00 -0.47 0.00 0.00 61.79 60.71 3hfs h SER 122 Cb 0.97 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3hfs h SER 122 CO 0.04 -0.20 1.31 0.52 -0.87 0.00 0.00 176.83 177.64 3hfs n VAL 123 N -5.27 0.26 0.09 0.95 0.31 -1.10 -4.66 118.33 108.91 3hfs n VAL 123 Ca -0.05 -0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 3hfs n VAL 123 Cb 0.19 -1.66 -0.08 0.00 -0.91 0.00 0.00 33.84 31.38 3hfs n VAL 123 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3hfs h LYS 124 N 11.39 0.32 -2.97 5.55 5.09 0.12 -3.48 116.57 132.60 3hfs h LYS 124 Ca -0.33 -0.42 -0.11 0.00 0.09 0.00 0.00 60.65 59.87 3hfs h LYS 124 Cb 1.31 0.14 -0.20 0.00 0.10 0.00 0.00 32.23 33.58 3hfs h LYS 124 CO 1.00 1.14 -0.24 0.50 -2.09 0.00 0.00 179.45 179.76 3hfs s ARG 125 N -2.99 0.71 -0.15 0.07 3.52 -1.04 -4.66 118.95 114.41 3hfs s ARG 125 Ca -0.05 -0.18 -0.00 0.00 -0.13 0.00 0.00 55.73 55.37 3hfs s ARG 125 Cb 0.08 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.78 3hfs s ARG 125 CO 0.87 -0.20 -0.13 0.08 -0.81 0.00 0.00 175.30 175.11 3hfs s VAL 126 N -1.39 2.96 -0.22 7.11 1.01 -0.60 -2.63 120.40 126.65 3hfs s VAL 126 Ca -0.13 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3hfs s VAL 126 Cb -0.05 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.13 3hfs s VAL 126 CO 0.04 0.51 -0.08 -0.51 0.00 0.00 0.00 175.10 175.06 3hfs s ILE 127 N 0.61 1.61 -0.05 2.22 2.07 -0.26 -1.86 121.20 125.54 3hfs s ILE 127 Ca -0.07 -1.12 0.01 0.00 -1.41 0.00 0.00 60.65 58.06 3hfs s ILE 127 Cb -0.16 -1.77 -0.03 0.00 0.13 0.00 0.00 42.46 40.64 3hfs s ILE 127 CO 0.03 0.04 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.82 3hfs s LEU 128 N 1.39 3.22 -0.21 8.50 2.96 -0.13 -2.99 118.68 131.42 3hfs s LEU 128 Ca -0.04 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3hfs s LEU 128 Cb -0.18 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3hfs s LEU 128 CO -0.07 0.34 0.01 -0.89 -1.32 0.00 0.00 176.35 174.42 3hfs s THR 129 N -0.89 3.99 -0.02 3.68 2.01 0.40 -0.21 115.64 124.61 3hfs s THR 129 Ca 0.14 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 3hfs s THR 129 Cb -0.11 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3hfs s THR 129 CO 0.04 0.41 0.05 -0.94 -0.69 0.00 0.00 174.62 173.49 3hfs s SER 130 N 1.12 -0.03 -0.02 3.53 1.04 -1.04 0.45 113.70 118.75 3hfs s SER 130 Ca 0.03 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3hfs s SER 130 Cb -0.14 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3hfs s SER 130 CO 0.02 -0.06 0.02 -0.94 0.98 0.00 0.00 173.24 173.25 3hfs s SER 131 N -0.17 0.09 0.30 7.02 1.04 -1.26 -4.07 113.70 116.65 3hfs s SER 131 Ca -0.02 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.44 3hfs s SER 131 Cb -0.02 -0.06 0.48 0.00 0.10 0.00 0.00 66.02 66.52 3hfs s SER 131 CO 0.00 -0.09 1.86 0.00 0.98 0.00 0.00 173.24 175.99 3hfs h ALA 132 N 6.96 1.29 -0.22 5.32 0.00 -1.83 -3.09 119.26 127.70 3hfs h ALA 132 Ca -0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 3hfs h ALA 132 Cb 1.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hfs h ALA 132 CO 0.49 0.50 0.06 0.00 0.00 0.00 0.00 179.25 180.29 3hfs h ALA 133 N 1.41 0.29 0.01 0.00 0.00 -1.80 -2.71 119.26 116.47 3hfs h ALA 133 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hfs h ALA 133 Cb 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3hfs h ALA 133 CO -0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 179.25 178.76 3hfs h ALA 134 N 0.87 -0.69 -0.49 0.00 0.00 -1.72 0.63 119.26 117.87 3hfs h ALA 134 Ca 0.07 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3hfs h ALA 134 Cb 0.27 0.74 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 3hfs h ALA 134 CO 0.00 -0.96 -0.18 0.28 0.00 0.00 0.00 179.25 178.38 3hfs h VAL 135 N -0.59 0.40 0.63 0.00 2.07 -1.50 0.21 116.25 117.48 3hfs h VAL 135 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3hfs h VAL 135 Cb 0.66 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hfs h VAL 135 CO -0.31 0.00 -0.30 0.74 0.02 0.00 0.00 177.57 177.72 3hfs h THR 136 N -0.07 0.35 -1.00 2.57 2.02 -0.87 -2.40 112.91 113.51 3hfs h THR 136 Ca 0.23 -0.10 0.33 0.00 0.77 0.00 0.00 66.41 67.65 3hfs h THR 136 Cb 0.43 0.39 -0.15 0.00 -1.74 0.00 0.00 68.15 67.08 3hfs h THR 136 CO -0.55 0.01 0.54 0.40 0.37 0.00 0.00 175.52 176.30 3hfs h ILE 137 N -0.92 0.26 -0.55 3.11 2.04 0.11 0.39 117.51 121.94 3hfs h ILE 137 Ca -0.09 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3hfs h ILE 137 Cb 0.68 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3hfs h ILE 137 CO 0.14 0.05 0.37 0.78 0.00 0.00 0.00 178.15 179.49 3hfs h ASN 138 N 0.27 0.61 0.41 1.72 2.35 -0.09 -2.70 115.58 118.16 3hfs h ASN 138 Ca 0.74 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 56.40 3hfs h ASN 138 Cb 1.72 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.92 3hfs h ASN 138 CO -0.63 0.44 -0.37 1.56 -1.65 0.00 0.00 177.43 176.77 3hfs h GLN 139 N 0.72 0.00 -0.70 0.81 7.50 -0.08 -2.26 115.11 121.11 3hfs h GLN 139 Ca 0.21 0.00 0.20 0.00 0.50 0.00 0.00 58.65 59.56 3hfs h GLN 139 Cb -0.04 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 3hfs h GLN 139 CO -0.05 0.37 0.56 -0.07 -1.50 0.00 0.00 178.83 178.14 3hfs h LEU 140 N 0.00 0.00 0.00 1.46 4.07 -1.46 0.88 115.31 120.26 3hfs h LEU 140 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hfs h LEU 140 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 3hfs h LEU 140 CO 0.05 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.88 3hfs n ASP 141 N -4.11 0.00 -3.13 -0.43 8.00 -0.85 -4.94 116.55 111.10 3hfs n ASP 141 Ca 0.14 0.42 -0.18 0.00 0.71 0.00 0.00 54.79 55.88 3hfs n ASP 141 Cb 0.82 -0.47 0.17 0.00 -0.02 0.00 0.00 41.12 41.62 3hfs n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hfs n GLY 142 N 1.26 -3.56 2.96 0.44 0.00 0.31 -5.03 105.19 101.57 3hfs n GLY 142 Ca 0.07 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 3hfs n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hfs s THR 143 N -1.79 1.35 0.00 2.61 2.01 -1.26 -4.73 115.64 113.83 3hfs s THR 143 Ca 0.40 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3hfs s THR 143 Cb -0.06 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.08 3hfs s THR 143 CO 0.33 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 3hfs n GLY 144 N 4.82 1.74 3.77 4.40 0.00 -1.26 -5.08 105.19 113.58 3hfs n GLY 144 Ca -0.14 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3hfs n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hfs s LEU 145 N 0.00 4.32 -0.06 0.99 1.43 -1.26 -5.01 118.68 119.09 3hfs s LEU 145 Ca 0.00 2.19 -0.18 0.00 -1.03 0.00 0.00 54.13 55.11 3hfs s LEU 145 Cb 0.00 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 3hfs s LEU 145 CO 0.00 -0.38 0.48 -0.69 0.23 0.00 0.00 176.35 175.99 3hfs s VAL 146 N -1.41 5.08 0.02 -1.59 1.01 -1.26 -5.07 120.40 117.17 3hfs s VAL 146 Ca 0.52 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.50 3hfs s VAL 146 Cb -0.28 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3hfs s VAL 146 CO 0.35 0.42 -0.07 -0.69 0.00 0.00 0.00 175.10 175.11 3hfs s VAL 147 N -0.05 0.50 0.00 2.92 1.01 -1.26 -4.97 120.40 118.55 3hfs s VAL 147 Ca 0.26 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3hfs s VAL 147 Cb -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3hfs s VAL 147 CO 0.13 -0.14 0.00 -0.90 0.00 0.00 0.00 175.10 174.18 3hfs n ASP 148 N 2.16 0.00 -4.76 3.32 5.68 -1.26 -5.16 116.55 116.53 3hfs n ASP 148 Ca -0.18 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.70 3hfs n ASP 148 Cb 0.56 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 3hfs n ASP 148 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3hfs s GLU 149 N 1.08 4.31 -0.81 0.11 8.01 -1.26 -4.94 118.70 125.19 3hfs s GLU 149 Ca 0.00 2.25 0.01 0.00 0.01 0.00 0.00 54.97 57.24 3hfs s GLU 149 Cb 0.00 -3.09 0.35 0.00 -4.31 0.00 0.00 34.13 27.08 3hfs s GLU 149 CO 0.00 -0.30 1.65 1.63 0.01 0.00 0.00 175.26 178.25 3hfs n LYS 150 N 1.50 3.92 -1.68 1.61 4.76 -1.26 -5.03 118.16 121.97 3hfs n LYS 150 Ca 0.03 -4.30 -0.44 0.00 -2.87 0.00 0.00 58.31 50.73 3hfs n LYS 150 Cb 0.41 -2.34 -0.03 0.00 -1.84 0.00 0.00 35.03 31.23 3hfs n LYS 150 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hfs n ASN 151 N -0.31 3.83 -3.69 4.39 4.13 -1.26 -5.12 115.26 117.23 3hfs n ASN 151 Ca 0.46 0.99 -0.30 0.00 1.68 0.00 0.00 54.58 57.41 3hfs n ASN 151 Cb 0.33 -1.50 -0.08 0.00 -1.54 0.00 0.00 39.78 36.99 3hfs n ASN 151 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3hfs n TRP 152 N 5.57 0.03 0.00 3.10 8.01 -1.26 -5.15 117.44 127.74 3hfs n TRP 152 Ca 0.19 -0.33 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3hfs n TRP 152 Cb 0.35 -0.70 0.00 0.00 -2.01 0.00 0.00 31.31 28.95 3hfs n TRP 152 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 3hfs n PRO 163 N 6.61 0.00 -1.25 -0.99 -0.02 -1.26 -4.99 135.00 133.10 3hfs n PRO 163 Ca 0.32 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.49 3hfs n PRO 163 Cb 0.37 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.78 3hfs n PRO 163 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hfs n PRO 164 N 0.00 3.22 -0.91 0.52 -0.02 -1.26 -4.60 135.00 131.95 3hfs n PRO 164 Ca 0.00 -1.91 -0.19 0.00 -2.02 0.00 0.00 63.50 59.39 3hfs n PRO 164 Cb 0.00 -2.54 0.06 0.00 -0.02 0.00 0.00 33.50 31.00 3hfs n PRO 164 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hfs n THR 165 N 3.13 2.76 -1.66 3.45 -2.24 -1.26 -4.94 114.28 113.52 3hfs n THR 165 Ca 0.67 -1.69 -0.40 0.00 -2.27 0.00 0.00 64.05 60.36 3hfs n THR 165 Cb 0.44 -1.12 0.02 0.00 -2.10 0.00 0.00 70.33 67.57 3hfs n THR 165 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3hfs n TRP 166 N -0.08 1.64 -4.33 4.78 7.02 -1.26 -4.93 117.44 120.27 3hfs n TRP 166 Ca 0.36 0.51 -0.16 0.00 -1.02 0.00 0.00 57.50 57.19 3hfs n TRP 166 Cb 0.77 -2.29 -0.04 0.00 -2.42 0.00 0.00 31.31 27.32 3hfs n TRP 166 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hfs n GLY 167 N 1.00 3.61 3.68 6.99 0.00 -1.26 -4.61 105.19 114.60 3hfs n GLY 167 Ca 0.09 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3hfs n GLY 167 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hfs n TYR 168 N -0.60 2.54 0.24 1.61 9.36 -1.26 -4.16 117.16 124.89 3hfs n TYR 168 Ca -0.05 -0.14 0.12 0.00 3.32 0.00 0.00 57.90 61.15 3hfs n TYR 168 Cb 0.38 -2.72 0.73 0.00 -0.63 0.00 0.00 39.34 37.10 3hfs n TYR 168 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3hfs h PRO 169 N 8.76 0.00 -0.36 2.98 0.13 -1.95 -2.54 132.00 139.02 3hfs h PRO 169 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hfs h PRO 169 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hfs h PRO 169 CO 0.94 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 3hfs n ALA 170 N -2.48 2.41 -0.76 -0.56 0.00 -1.26 -4.18 120.51 113.69 3hfs n ALA 170 Ca -0.01 -0.98 -0.28 0.00 0.00 0.00 0.00 53.44 52.16 3hfs n ALA 170 Cb 0.16 -0.82 0.23 0.00 0.00 0.00 0.00 19.45 19.02 3hfs n ALA 170 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hfs s SER 171 N -1.45 1.33 -0.18 0.00 1.04 -0.96 -4.98 113.70 108.50 3hfs s SER 171 Ca 0.37 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 3hfs s SER 171 Cb 0.22 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 3hfs s SER 171 CO 0.30 -3.96 0.32 -0.54 0.98 0.00 0.00 173.24 170.34 3hfs s LYS 172 N -4.67 4.22 0.66 4.02 1.02 -1.26 -4.64 119.74 119.08 3hfs s LYS 172 Ca 0.68 0.10 -0.15 0.00 0.02 0.00 0.00 55.97 56.61 3hfs s LYS 172 Cb -0.22 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 3hfs s LYS 172 CO 0.62 0.13 1.12 0.95 -0.92 0.00 0.00 175.35 177.25 3hfs s THR 173 N 0.80 3.13 0.13 2.17 -4.23 -1.26 -4.79 115.64 111.58 3hfs s THR 173 Ca 0.17 0.53 -0.24 0.00 -1.18 0.00 0.00 61.69 60.97 3hfs s THR 173 Cb -0.14 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3hfs s THR 173 CO 0.05 -0.32 1.66 0.17 -0.54 0.00 0.00 174.62 175.64 3hfs h LEU 174 N 0.04 -0.57 -0.59 4.79 -0.00 -1.98 0.28 115.31 117.28 3hfs h LEU 174 Ca -0.47 0.09 0.08 0.00 -0.00 0.00 0.00 57.88 57.58 3hfs h LEU 174 Cb 1.25 0.25 -0.10 0.00 -0.00 0.00 0.00 40.66 42.06 3hfs h LEU 174 CO 0.54 -0.25 -0.49 0.00 -0.00 0.00 0.00 178.44 178.23 3hfs h ALA 175 N 0.67 -0.49 -0.38 0.17 0.00 -1.92 0.57 119.26 117.88 3hfs h ALA 175 Ca 0.07 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3hfs h ALA 175 Cb 0.38 1.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 3hfs h ALA 175 CO -0.22 -0.91 -0.06 1.49 0.00 0.00 0.00 179.25 179.55 3hfs h GLU 176 N -0.25 0.04 -0.73 0.00 4.81 -1.68 0.14 114.58 116.91 3hfs h GLU 176 Ca 0.15 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.49 3hfs h GLU 176 Cb 0.56 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 3hfs h GLU 176 CO -0.70 0.02 0.33 0.87 -0.73 0.00 0.00 179.01 178.80 3hfs h LYS 177 N 0.04 0.50 -0.31 1.92 1.57 0.22 -0.33 116.57 120.18 3hfs h LYS 177 Ca 0.18 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3hfs h LYS 177 Cb 0.27 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3hfs h LYS 177 CO -0.36 0.33 -0.18 0.00 -0.57 0.00 0.00 179.45 178.67 3hfs h ALA 178 N 1.49 0.04 -0.84 3.86 0.00 0.27 -3.10 119.26 120.97 3hfs h ALA 178 Ca 0.38 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.54 3hfs h ALA 178 Cb 0.50 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3hfs h ALA 178 CO -0.34 -0.58 0.55 0.00 0.00 0.00 0.00 179.25 178.89 3hfs h ALA 179 N 1.05 1.91 0.03 0.00 0.00 0.22 0.09 119.26 122.56 3hfs h ALA 179 Ca 0.16 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 3hfs h ALA 179 Cb 0.39 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hfs h ALA 179 CO -0.40 -0.13 -1.10 -1.49 0.00 0.00 0.00 179.25 176.14 3hfs h TRP 180 N 0.62 1.04 -0.55 0.00 4.06 -1.49 0.06 115.95 119.68 3hfs h TRP 180 Ca 0.42 -0.59 0.09 0.00 2.06 0.00 0.00 58.89 60.86 3hfs h TRP 180 Cb 0.73 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 28.71 3hfs h TRP 180 CO -0.00 1.43 0.18 0.87 -3.56 0.00 0.00 178.44 177.36 3hfs h LYS 181 N 0.37 0.34 -0.12 0.49 1.57 -1.16 0.43 116.57 118.49 3hfs h LYS 181 Ca -0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3hfs h LYS 181 Cb 1.75 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.98 3hfs h LYS 181 CO 0.21 0.23 0.05 0.35 -0.57 0.00 0.00 179.45 179.72 3hfs h PHE 182 N 0.35 0.17 -0.24 -1.35 3.57 -1.00 -2.65 116.94 115.80 3hfs h PHE 182 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3hfs h PHE 182 Cb 0.34 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3hfs h PHE 182 CO -0.18 0.25 0.10 0.00 -2.23 0.00 0.00 178.31 176.25 3hfs h ALA 183 N 0.90 0.32 -0.31 2.41 0.00 0.38 -0.95 119.26 122.02 3hfs h ALA 183 Ca 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hfs h ALA 183 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hfs h ALA 183 CO -0.00 -0.10 0.01 1.05 0.00 0.00 0.00 179.25 180.20 3hfs h GLU 184 N 0.25 0.55 -0.45 0.00 -0.00 -0.28 0.34 114.58 115.00 3hfs h GLU 184 Ca 0.08 -0.17 0.07 0.00 -0.00 0.00 0.00 59.36 59.34 3hfs h GLU 184 Cb 0.16 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 28.83 3hfs h GLU 184 CO -0.01 0.68 0.30 0.93 -0.00 0.00 0.00 179.01 180.91 3hfs h GLU 185 N 0.35 0.30 -0.17 1.06 5.08 -1.43 -3.11 114.58 116.65 3hfs h GLU 185 Ca 0.09 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3hfs h GLU 185 Cb 0.43 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3hfs h GLU 185 CO 0.01 0.20 -0.13 0.09 -1.00 0.00 0.00 179.01 178.18 3hfs n ASN 186 N -4.47 2.61 -3.03 1.42 4.13 -0.36 -4.98 115.26 110.58 3hfs n ASN 186 Ca 0.06 -3.45 -0.16 0.00 1.68 0.00 0.00 54.58 52.71 3hfs n ASN 186 Cb 0.30 -0.54 -0.01 0.00 -1.54 0.00 0.00 39.78 37.98 3hfs n ASN 186 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3hfs n ASN 187 N -1.06 -2.72 -4.67 6.41 0.23 0.94 -4.90 115.26 109.48 3hfs n ASN 187 Ca 0.23 -0.09 -0.38 0.00 -0.53 0.00 0.00 54.58 53.81 3hfs n ASN 187 Cb 0.83 -2.34 -0.07 0.00 -2.08 0.00 0.00 39.78 36.12 3hfs n ASN 187 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3hfs s ILE 188 N -2.62 5.17 -0.61 1.53 1.01 0.29 -5.00 121.20 120.98 3hfs s ILE 188 Ca 0.24 0.79 -0.27 0.00 0.00 0.00 0.00 60.65 61.41 3hfs s ILE 188 Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3hfs s ILE 188 CO 0.29 0.24 1.79 -0.62 0.00 0.00 0.00 174.94 176.64 3hfs s ASP 189 N 1.05 5.41 -0.01 3.58 -1.08 -1.26 -4.63 116.67 119.73 3hfs s ASP 189 Ca 0.21 0.31 -0.01 0.00 -0.52 0.00 0.00 52.55 52.54 3hfs s ASP 189 Cb -0.15 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 3hfs s ASP 189 CO 0.09 -2.27 0.07 -0.22 0.52 0.00 0.00 175.17 173.36 3hfs s LEU 190 N 8.56 3.87 -0.02 -1.34 2.96 -1.26 -1.56 118.68 129.89 3hfs s LEU 190 Ca 0.64 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 3hfs s LEU 190 Cb -0.13 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.34 3hfs s LEU 190 CO 0.21 0.28 0.05 -0.63 -1.32 0.00 0.00 176.35 174.95 3hfs s ILE 191 N -1.17 -0.00 0.03 6.68 1.01 -0.78 -4.41 121.20 122.56 3hfs s ILE 191 Ca 0.22 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.95 3hfs s ILE 191 Cb -0.12 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 3hfs s ILE 191 CO 0.13 0.00 -0.20 0.42 0.00 0.00 0.00 174.94 175.29 3hfs s THR 192 N 0.08 1.62 -0.14 2.92 -4.23 -1.07 -0.95 115.64 113.86 3hfs s THR 192 Ca -0.00 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 3hfs s THR 192 Cb -0.01 -1.39 -0.00 0.00 1.34 0.00 0.00 72.50 72.43 3hfs s THR 192 CO -0.00 0.27 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.50 3hfs s VAL 193 N -0.71 2.68 -0.74 2.29 1.01 0.71 -0.82 120.40 124.82 3hfs s VAL 193 Ca 0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3hfs s VAL 193 Cb -0.08 -2.12 0.19 0.00 0.00 0.00 0.00 36.38 34.37 3hfs s VAL 193 CO 0.01 0.52 0.59 -0.63 0.00 0.00 0.00 175.10 175.60 3hfs s ILE 194 N 0.64 4.18 0.84 2.22 -1.09 0.21 -2.51 121.20 125.71 3hfs s ILE 194 Ca -0.08 -3.18 -0.11 0.00 -2.23 0.00 0.00 60.65 55.04 3hfs s ILE 194 Cb -0.16 -3.66 0.10 0.00 -1.58 0.00 0.00 42.46 37.16 3hfs s ILE 194 CO 0.02 -0.96 1.09 -2.16 -1.23 0.00 0.00 174.94 171.70 3hfs s PRO 195 N -0.45 1.67 0.00 2.79 0.04 -1.26 -1.34 135.00 136.45 3hfs s PRO 195 Ca 0.20 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.25 3hfs s PRO 195 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3hfs s PRO 195 CO -0.07 -2.00 0.00 0.25 0.04 0.00 0.00 177.00 175.22 3hfs n THR 196 N -3.75 0.00 -3.92 1.26 -2.24 -1.24 -4.62 114.28 99.77 3hfs n THR 196 Ca 0.08 0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.67 3hfs n THR 196 Cb 0.54 -0.99 -0.17 0.00 -2.10 0.00 0.00 70.33 67.61 3hfs n THR 196 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hfs s LEU 197 N -3.14 1.01 -0.06 3.22 2.96 -1.14 -4.25 118.68 117.29 3hfs s LEU 197 Ca 0.00 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3hfs s LEU 197 Cb 0.00 -0.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 3hfs s LEU 197 CO 0.00 -0.13 0.14 -0.04 -1.32 0.00 0.00 176.35 175.00 3hfs s MET 198 N 1.67 3.37 0.18 1.98 -1.94 -1.26 -0.22 119.30 123.08 3hfs s MET 198 Ca 0.02 -0.26 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 3hfs s MET 198 Cb -0.13 -3.09 -0.01 0.00 2.01 0.00 0.00 34.83 33.61 3hfs s MET 198 CO -0.06 0.72 0.18 0.00 -0.01 0.00 0.00 175.02 175.85 3hfs n ALA 199 N 1.47 0.23 0.00 3.03 0.00 0.09 -3.53 120.51 121.80 3hfs n ALA 199 Ca -0.15 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3hfs n ALA 199 Cb 0.54 0.78 0.00 0.00 0.00 0.00 0.00 19.45 20.77 3hfs n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfs n GLY 200 N -0.32 0.42 3.15 0.00 0.00 -1.26 -0.46 105.19 106.71 3hfs n GLY 200 Ca 0.03 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 3hfs n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfs s SER 201 N -4.00 1.71 -0.10 1.61 1.04 -1.26 -3.25 113.70 109.45 3hfs s SER 201 Ca 0.00 -0.46 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 3hfs s SER 201 Cb 0.00 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 3hfs s SER 201 CO 0.00 0.04 -0.08 -0.55 0.98 0.00 0.00 173.24 173.63 3hfs s SER 202 N -1.14 4.46 0.31 7.02 0.15 -1.26 -4.93 113.70 118.32 3hfs s SER 202 Ca 0.02 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.54 3hfs s SER 202 Cb -0.08 -1.37 0.51 0.00 -1.71 0.00 0.00 66.02 63.37 3hfs s SER 202 CO 0.01 0.27 1.88 -0.07 1.20 0.00 0.00 173.24 176.53 3hfs h LEU 203 N 5.93 0.67-10.27 3.45 4.07 -1.93 -3.45 115.31 113.77 3hfs h LEU 203 Ca -0.39 -0.10 -0.52 0.00 0.08 0.00 0.00 57.88 56.95 3hfs h LEU 203 Cb 1.18 -0.17 0.19 0.00 1.08 0.00 0.00 40.66 42.94 3hfs h LEU 203 CO 0.55 0.65 0.24 0.42 -1.08 0.00 0.00 178.44 179.22 3hfs s THR 204 N -5.22 2.16 0.29 0.22 -4.23 -1.26 -4.85 115.64 102.74 3hfs s THR 204 Ca -0.09 0.05 0.07 0.00 -1.18 0.00 0.00 61.69 60.54 3hfs s THR 204 Cb 0.16 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3hfs s THR 204 CO 0.78 -0.07 1.68 0.28 -0.54 0.00 0.00 174.62 176.76 3hfs h SER 205 N -1.74 0.22 -3.66 3.99 0.02 -1.90 -3.44 113.55 107.05 3hfs h SER 205 Ca -0.43 -0.10 -0.68 0.00 -0.84 0.00 0.00 61.79 59.74 3hfs h SER 205 Cb 1.27 -0.06 -0.18 0.00 0.14 0.00 0.00 62.40 63.57 3hfs h SER 205 CO 0.43 0.65 -0.72 -0.62 -1.14 0.00 0.00 176.83 175.43 3hfs s ASP 206 N -6.88 4.51 0.20 3.07 2.15 -1.26 -5.08 116.67 113.37 3hfs s ASP 206 Ca -0.04 -0.19 -0.30 0.00 0.43 0.00 0.00 52.55 52.45 3hfs s ASP 206 Cb 0.13 -1.01 -0.09 0.00 -0.30 0.00 0.00 42.92 41.65 3hfs s ASP 206 CO 0.77 0.28 1.34 -0.69 -0.17 0.00 0.00 175.17 176.70 3hfs s VAL 207 N -0.99 3.14 0.13 1.11 1.01 -1.26 -5.00 120.40 118.54 3hfs s VAL 207 Ca 0.17 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 3hfs s VAL 207 Cb -0.11 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 3hfs s VAL 207 CO 0.07 0.13 0.59 -2.16 0.00 0.00 0.00 175.10 173.74 3hfs s PRO 208 N -0.03 4.14 0.22 2.72 0.04 -1.26 -4.70 135.00 136.12 3hfs s PRO 208 Ca 0.58 0.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.22 3hfs s PRO 208 Cb -0.37 -3.06 0.32 0.00 0.04 0.00 0.00 34.50 31.43 3hfs s PRO 208 CO 0.38 0.54 1.75 0.77 0.04 0.00 0.00 177.00 180.48 3hfs h SER 209 N 3.98 0.32 -0.91 6.66 0.02 -1.84 -2.03 113.55 119.75 3hfs h SER 209 Ca -0.49 0.08 0.20 0.00 -0.84 0.00 0.00 61.79 60.74 3hfs h SER 209 Cb 1.20 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 63.66 3hfs h SER 209 CO 0.65 0.18 0.46 0.77 -1.14 0.00 0.00 176.83 177.74 3hfs h SER 210 N 0.48 0.48 -0.06 3.07 4.64 -1.86 0.89 113.55 121.19 3hfs h SER 210 Ca 0.34 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.77 3hfs h SER 210 Cb 0.41 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hfs h SER 210 CO -0.31 0.10 -0.03 0.40 -0.87 0.00 0.00 176.83 176.12 3hfs h ILE 211 N 0.52 1.33 -0.16 0.95 2.04 -1.42 -2.21 117.51 118.55 3hfs h ILE 211 Ca 0.55 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3hfs h ILE 211 Cb 0.98 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 3hfs h ILE 211 CO -0.47 0.29 -0.47 1.23 0.00 0.00 0.00 178.15 178.73 3hfs h GLY 212 N -0.25 -0.85 0.51 5.37 0.00 0.10 0.71 103.07 108.66 3hfs h GLY 212 Ca 0.01 0.59 0.06 0.00 0.00 0.00 0.00 47.33 48.00 3hfs h GLY 212 CO 0.01 -0.21 0.11 -2.00 0.00 0.00 0.00 176.54 174.45 3hfs h LEU 213 N -0.51 0.06 -0.48 3.11 5.85 -0.76 0.31 115.31 122.89 3hfs h LEU 213 Ca 0.07 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3hfs h LEU 213 Cb 0.65 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3hfs h LEU 213 CO -0.44 0.07 0.10 0.00 -0.34 0.00 0.00 178.44 177.83 3hfs h ALA 214 N 1.32 0.53 0.00 1.25 0.00 -0.49 -1.68 119.26 120.18 3hfs h ALA 214 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hfs h ALA 214 Cb 0.24 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hfs h ALA 214 CO -0.25 -0.31 0.00 -1.33 0.00 0.00 0.00 179.25 177.36 3hfs n MET 215 N -5.10 0.17 -0.36 0.00 2.81 0.23 -4.10 117.12 110.76 3hfs n MET 215 Ca 0.05 0.18 0.26 0.00 -1.81 0.00 0.00 57.70 56.38 3hfs n MET 215 Cb 0.23 -1.71 0.52 0.00 -0.71 0.00 0.00 33.22 31.55 3hfs n MET 215 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3hfs h SER 216 N 0.00 0.44 -0.03 7.83 4.64 0.59 0.16 113.55 127.18 3hfs h SER 216 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3hfs h SER 216 Cb 0.60 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3hfs h SER 216 CO 0.00 -0.04 0.02 -0.07 -0.87 0.00 0.00 176.83 175.86 3hfs h LEU 217 N 0.31 0.03 -0.24 5.97 3.38 -1.76 0.41 115.31 123.42 3hfs h LEU 217 Ca 0.70 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.62 3hfs h LEU 217 Cb 1.80 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 3hfs h LEU 217 CO -0.43 0.04 0.03 0.40 0.09 0.00 0.00 178.44 178.57 3hfs h ILE 218 N 0.02 1.23 0.00 1.22 5.03 -1.16 -3.02 117.51 120.84 3hfs h ILE 218 Ca 0.01 -0.79 -0.00 0.00 -0.12 0.00 0.00 64.86 63.96 3hfs h ILE 218 Cb 0.01 1.29 -0.00 0.00 -3.03 0.00 0.00 36.82 35.09 3hfs h ILE 218 CO -0.00 0.25 -0.01 0.74 -0.68 0.00 0.00 178.15 178.45 3hfs h THR 219 N 0.20 0.31 -0.58 -0.27 2.02 -0.45 -3.46 112.91 110.67 3hfs h THR 219 Ca 0.07 -0.05 -0.25 0.00 0.77 0.00 0.00 66.41 66.95 3hfs h THR 219 Cb 0.34 1.03 -0.10 0.00 -1.74 0.00 0.00 68.15 67.68 3hfs h THR 219 CO 0.01 0.01 -0.23 0.61 0.37 0.00 0.00 175.52 176.29 3hfs n GLY 220 N -1.15 1.33 3.55 2.16 0.00 0.14 -4.94 105.19 106.28 3hfs n GLY 220 Ca -0.03 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3hfs n GLY 220 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hfs s ASN 221 N -2.87 5.92 0.15 1.61 3.84 -1.08 -4.88 114.94 117.64 3hfs s ASN 221 Ca 0.00 -0.22 -0.17 0.00 0.21 0.00 0.00 52.86 52.68 3hfs s ASN 221 Cb 0.00 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 3hfs s ASN 221 CO 0.00 -1.98 1.80 1.05 -2.79 0.00 0.00 177.10 175.18 3hfs h GLU 222 N 11.37 0.46 -0.51 0.43 -0.00 -1.92 -1.67 114.58 122.73 3hfs h GLU 222 Ca -0.27 -0.03 0.10 0.00 -0.00 0.00 0.00 59.36 59.16 3hfs h GLU 222 Cb 1.08 -0.10 -0.10 0.00 -0.00 0.00 0.00 28.75 29.62 3hfs h GLU 222 CO 1.26 0.31 -0.20 0.35 -0.00 0.00 0.00 179.01 180.73 3hfs h PHE 223 N 0.48 -0.49 -0.58 2.06 3.57 -1.98 -0.58 116.94 119.41 3hfs h PHE 223 Ca 0.14 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3hfs h PHE 223 Cb -0.04 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3hfs h PHE 223 CO -0.06 -0.29 0.13 -0.07 -2.23 0.00 0.00 178.31 175.79 3hfs h LEU 224 N -0.08 0.90 -1.36 0.59 3.38 -1.87 -2.06 115.31 114.81 3hfs h LEU 224 Ca 0.24 -0.24 0.25 0.00 0.09 0.00 0.00 57.88 58.22 3hfs h LEU 224 Cb 0.46 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 3hfs h LEU 224 CO -0.57 0.91 0.65 0.40 0.09 0.00 0.00 178.44 179.92 3hfs h ILE 225 N 0.85 0.57 0.03 1.22 2.04 -0.19 0.33 117.51 122.35 3hfs h ILE 225 Ca 0.18 -0.15 -0.24 0.00 1.00 0.00 0.00 64.86 65.66 3hfs h ILE 225 Cb 0.37 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3hfs h ILE 225 CO 0.00 0.08 -1.17 0.78 0.00 0.00 0.00 178.15 177.85 3hfs h ASN 226 N 0.43 0.10 -0.32 1.72 2.35 -0.83 -1.54 115.58 117.49 3hfs h ASN 226 Ca 0.57 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.24 3hfs h ASN 226 Cb 1.40 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 3hfs h ASN 226 CO -0.28 1.09 0.11 1.23 -1.65 0.00 0.00 177.43 177.93 3hfs h GLY 227 N 2.74 0.40 0.61 2.83 0.00 -0.49 0.61 103.07 109.78 3hfs h GLY 227 Ca -0.08 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.25 3hfs h GLY 227 CO 0.14 0.03 0.26 1.98 0.00 0.00 0.00 176.54 178.95 3hfs h MET 228 N 0.25 0.48 -0.51 4.80 1.85 -0.90 0.43 114.93 121.34 3hfs h MET 228 Ca 0.14 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.17 3hfs h MET 228 Cb 0.11 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 3hfs h MET 228 CO -0.15 0.32 0.17 0.87 -0.40 0.00 0.00 176.91 177.72 3hfs h LYS 229 N 0.49 0.78 -1.01 0.39 1.57 -0.41 0.01 116.57 118.39 3hfs h LYS 229 Ca 0.26 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3hfs h LYS 229 Cb 0.22 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3hfs h LYS 229 CO -0.21 0.72 0.66 0.78 -0.57 0.00 0.00 179.45 180.83 3hfs h GLY 230 N 0.69 1.47 0.41 3.86 0.00 0.53 -0.92 103.07 109.10 3hfs h GLY 230 Ca 0.17 -0.51 0.12 0.00 0.00 0.00 0.00 47.33 47.11 3hfs h GLY 230 CO -0.01 0.44 0.51 1.98 0.00 0.00 0.00 176.54 179.47 3hfs h MET 231 N 1.29 0.78 -0.29 4.80 -1.53 0.12 0.42 114.93 120.52 3hfs h MET 231 Ca 0.40 -0.05 -0.18 0.00 -3.44 0.00 0.00 59.70 56.43 3hfs h MET 231 Cb -0.02 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 30.85 3hfs h MET 231 CO -0.12 0.52 -0.53 0.37 0.14 0.00 0.00 176.91 177.29 3hfs h GLN 232 N 0.80 0.86 0.03 0.39 4.15 -0.03 -1.53 115.11 119.80 3hfs h GLN 232 Ca 0.45 -0.53 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3hfs h GLN 232 Cb 0.50 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3hfs h GLN 232 CO -0.29 1.17 -0.02 0.52 -1.93 0.00 0.00 178.83 178.29 3hfs h MET 233 N 0.67 -0.04 0.03 1.69 2.86 -0.55 -2.23 114.93 117.36 3hfs h MET 233 Ca 0.02 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.32 3hfs h MET 233 Cb 1.13 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 3hfs h MET 233 CO 0.12 0.52 -2.09 1.28 1.06 0.00 0.00 176.91 177.80 3hfs n LEU 234 N -4.83 1.40 0.04 1.22 4.77 0.14 -3.99 117.00 115.75 3hfs n LEU 234 Ca -0.09 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3hfs n LEU 234 Cb 0.29 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 3hfs n LEU 234 CO 0.32 0.62 -0.27 0.28 -1.33 0.00 0.00 177.39 177.01 3hfs h SER 235 N 0.02 0.19 0.00 -1.43 0.02 -1.38 -3.39 113.55 107.58 3hfs h SER 235 Ca -0.44 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 3hfs h SER 235 Cb 2.06 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.54 3hfs h SER 235 CO 0.04 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.57 3hfs n GLY 236 N 1.57 0.53 3.54 -3.77 0.00 -0.84 -4.35 105.19 101.88 3hfs n GLY 236 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3hfs n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfs s SER 237 N -2.09 -0.52 -0.68 1.61 1.04 -1.22 -1.54 113.70 110.30 3hfs s SER 237 Ca 0.00 0.55 -0.24 0.00 0.48 0.00 0.00 55.95 56.74 3hfs s SER 237 Cb 0.00 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.61 3hfs s SER 237 CO 0.00 -0.50 1.05 -0.69 0.98 0.00 0.00 173.24 174.08 3hfs s VAL 238 N -1.24 4.16 -0.09 5.02 1.01 -1.03 -4.50 120.40 123.74 3hfs s VAL 238 Ca -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3hfs s VAL 238 Cb -0.00 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 3hfs s VAL 238 CO 0.05 -1.55 -0.10 -0.94 0.00 0.00 0.00 175.10 172.56 3hfs s SER 239 N 3.66 4.36 0.02 3.32 1.04 -1.26 -0.51 113.70 124.33 3hfs s SER 239 Ca 0.26 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 3hfs s SER 239 Cb -0.14 -1.26 -0.00 0.00 0.10 0.00 0.00 66.02 64.72 3hfs s SER 239 CO 0.12 0.29 0.14 -0.51 0.98 0.00 0.00 173.24 174.25 3hfs s ILE 240 N -0.38 0.10 0.24 -1.02 2.07 -1.00 -2.89 121.20 118.31 3hfs s ILE 240 Ca 0.05 -0.82 -0.07 0.00 -1.41 0.00 0.00 60.65 58.40 3hfs s ILE 240 Cb -0.12 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 3hfs s ILE 240 CO 0.02 -0.45 0.34 0.00 -1.91 0.00 0.00 174.94 172.94 3hfs s ALA 241 N -1.84 0.40 -0.25 1.50 0.00 0.70 -1.49 121.76 120.78 3hfs s ALA 241 Ca -0.11 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 3hfs s ALA 241 Cb -0.05 1.21 -0.05 0.00 0.00 0.00 0.00 23.12 24.23 3hfs s ALA 241 CO -0.01 -0.75 0.15 -1.58 0.00 0.00 0.00 175.76 173.58 3hfs s HIS 242 N -4.00 3.24 0.41 0.00 2.46 -1.26 -0.73 115.29 115.42 3hfs s HIS 242 Ca 0.30 0.08 0.21 0.00 0.47 0.00 0.00 55.06 56.12 3hfs s HIS 242 Cb 0.02 -2.29 1.16 0.00 -0.13 0.00 0.00 32.58 31.34 3hfs s HIS 242 CO 0.11 -0.07 1.77 -0.24 -2.47 0.00 0.00 174.74 173.84 3hfs h VAL 243 N 5.21 0.50 -0.14 0.89 3.04 -1.11 0.90 116.25 125.55 3hfs h VAL 243 Ca -0.37 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3hfs h VAL 243 Cb 1.18 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 3hfs h VAL 243 CO 0.61 0.06 0.08 -0.08 -1.01 0.00 0.00 177.57 177.23 3hfs h GLU 244 N 0.34 0.18 -0.49 4.17 4.81 -1.92 0.40 114.58 122.08 3hfs h GLU 244 Ca 0.59 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.79 3hfs h GLU 244 Cb 1.61 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.92 3hfs h GLU 244 CO -0.27 0.15 0.24 -0.44 -0.73 0.00 0.00 179.01 177.96 3hfs h ASP 245 N 0.16 0.63 -0.40 1.04 3.32 0.33 0.40 116.42 121.91 3hfs h ASP 245 Ca 0.05 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.03 3hfs h ASP 245 Cb 0.01 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 3hfs h ASP 245 CO -0.01 0.58 0.12 0.58 -1.72 0.00 0.00 179.24 178.79 3hfs h VAL 246 N 0.64 0.85 0.03 -1.35 2.07 -0.71 -1.16 116.25 116.62 3hfs h VAL 246 Ca 0.17 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3hfs h VAL 246 Cb 0.11 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3hfs h VAL 246 CO -0.02 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 3hfs h ARG 248 N -0.07 0.48 -0.64 0.00 2.47 0.29 0.61 114.38 117.52 3hfs h ARG 248 Ca -0.00 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 3hfs h ARG 248 Cb 0.06 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 3hfs h ARG 248 CO 0.01 0.32 0.23 0.00 0.56 0.00 0.00 179.97 181.08 3hfs h ALA 249 N 1.70 0.83 -0.31 0.04 0.00 -0.98 0.18 119.26 120.72 3hfs h ALA 249 Ca 0.58 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.37 3hfs h ALA 249 Cb 1.08 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3hfs h ALA 249 CO -0.49 0.48 -0.11 0.45 0.00 0.00 0.00 179.25 179.57 3hfs h HIS 250 N 0.91 -0.26 0.45 0.00 3.86 -0.64 0.74 115.15 120.21 3hfs h HIS 250 Ca 0.21 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3hfs h HIS 250 Cb 0.25 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3hfs h HIS 250 CO 0.02 -0.18 -0.42 0.82 0.86 0.00 0.00 177.93 179.03 3hfs h ILE 251 N -0.05 0.16 -0.69 2.45 5.03 -1.27 0.22 117.51 123.36 3hfs h ILE 251 Ca 0.16 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 65.04 3hfs h ILE 251 Cb 0.29 0.16 -0.10 0.00 -3.03 0.00 0.00 36.82 34.14 3hfs h ILE 251 CO -0.35 0.00 0.14 0.15 -0.68 0.00 0.00 178.15 177.41 3hfs h PHE 252 N -0.88 0.21 0.00 1.37 3.57 0.32 0.74 116.94 122.27 3hfs h PHE 252 Ca -0.05 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 3hfs h PHE 252 Cb 0.77 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3hfs h PHE 252 CO -0.21 -0.08 -0.62 -0.39 -2.23 0.00 0.00 178.31 174.78 3hfs h VAL 253 N 0.25 1.24 -0.00 1.41 -1.51 -0.85 0.44 116.25 117.22 3hfs h VAL 253 Ca 0.38 -2.27 0.03 0.00 -1.23 0.00 0.00 66.70 63.61 3hfs h VAL 253 Cb 0.62 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 32.04 3hfs h VAL 253 CO -0.49 0.60 -0.21 0.00 -1.23 0.00 0.00 177.57 176.25 3hfs h ALA 254 N 1.38 -0.26 0.12 5.19 0.00 0.25 -3.34 119.26 122.61 3hfs h ALA 254 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hfs h ALA 254 Cb 1.24 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3hfs h ALA 254 CO 0.08 -0.70 -0.06 0.93 0.00 0.00 0.00 179.25 179.50 3hfs h GLU 255 N -0.33 -0.16 -6.04 0.00 5.08 -0.62 -3.45 114.58 109.06 3hfs h GLU 255 Ca 0.06 0.01 -0.79 0.00 -1.00 0.00 0.00 59.36 57.64 3hfs h GLU 255 Cb 0.41 0.04 0.04 0.00 0.50 0.00 0.00 28.75 29.74 3hfs h GLU 255 CO -0.19 -0.11 0.26 1.17 -1.00 0.00 0.00 179.01 179.14 3hfs n LYS 256 N -3.65 0.21 -0.09 2.33 3.00 0.13 -4.79 118.16 115.30 3hfs n LYS 256 Ca -0.02 0.08 -0.14 0.00 -0.00 0.00 0.00 58.31 58.22 3hfs n LYS 256 Cb 0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 35.03 33.45 3hfs n LYS 256 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 3hfs h GLU 257 N 3.74 0.85 -0.18 1.64 9.09 -1.88 -3.26 114.58 124.57 3hfs h GLU 257 Ca -0.49 -0.51 0.00 0.00 0.05 0.00 0.00 59.36 58.41 3hfs h GLU 257 Cb 1.40 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.55 3hfs h GLU 257 CO 0.74 1.15 0.00 -1.13 0.05 0.00 0.00 179.01 179.82 3hfs n SER 258 N -4.07 1.05 -4.77 3.06 3.41 -1.26 -4.89 113.62 106.13 3hfs n SER 258 Ca -0.04 -1.93 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 3hfs n SER 258 Cb 0.59 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 3hfs n SER 258 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfs s ALA 259 N -1.76 2.93 0.08 7.33 0.00 -1.23 -5.04 121.76 124.06 3hfs s ALA 259 Ca 0.16 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 3hfs s ALA 259 Cb 0.08 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.90 3hfs s ALA 259 CO 0.12 -0.59 0.50 0.45 0.00 0.00 0.00 175.76 176.23 3hfs s SER 260 N -1.51 -0.40 0.67 0.00 0.15 -1.26 -5.06 113.70 106.29 3hfs s SER 260 Ca 0.65 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.33 3hfs s SER 260 Cb -0.26 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 3hfs s SER 260 CO 0.31 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.58 3hfs n GLY 261 N 0.16 1.10 3.67 9.45 0.00 -1.26 -4.81 105.19 113.51 3hfs n GLY 261 Ca -0.18 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 3hfs n GLY 261 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hfs s ARG 262 N 0.00 2.42 -0.20 1.61 0.52 -1.26 -2.59 118.95 119.45 3hfs s ARG 262 Ca 0.00 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 53.91 3hfs s ARG 262 Cb 0.00 -2.28 0.07 0.00 0.52 0.00 0.00 34.95 33.25 3hfs s ARG 262 CO 0.00 0.40 0.08 0.71 0.02 0.00 0.00 175.30 176.51 3hfs s TYR 263 N -2.09 0.52 0.14 -0.53 1.51 0.00 -4.93 117.35 111.96 3hfs s TYR 263 Ca 0.30 -0.59 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 3hfs s TYR 263 Cb -0.08 -0.85 -0.07 0.00 -0.11 0.00 0.00 41.96 40.85 3hfs s TYR 263 CO 0.20 -0.59 1.16 0.42 -1.11 0.00 0.00 175.55 175.63 3hfs s ILE 264 N 2.03 3.87 -0.29 2.71 1.09 -1.26 0.68 121.20 130.02 3hfs s ILE 264 Ca 0.02 1.50 -0.01 0.00 -1.10 0.00 0.00 60.65 61.05 3hfs s ILE 264 Cb -0.16 -3.96 0.09 0.00 -1.06 0.00 0.00 42.46 37.37 3hfs s ILE 264 CO -0.12 0.20 0.09 0.00 -0.10 0.00 0.00 174.94 175.01 3hfs h ALA 267 N 4.30 0.14 -3.95 0.00 0.00 -1.62 -3.40 119.26 114.73 3hfs h ALA 267 Ca -0.29 -0.84 -0.69 0.00 0.00 0.00 0.00 54.91 53.09 3hfs h ALA 267 Cb 1.18 0.50 -0.23 0.00 0.00 0.00 0.00 17.79 19.24 3hfs h ALA 267 CO 0.38 0.48 -0.87 0.00 0.00 0.00 0.00 179.25 179.24 3hfs s ALA 268 N -2.42 2.34 -0.14 0.00 0.00 -1.03 -5.02 121.76 115.49 3hfs s ALA 268 Ca -0.22 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.32 3hfs s ALA 268 Cb 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 3hfs s ALA 268 CO 0.49 0.53 -0.18 -0.80 0.00 0.00 0.00 175.76 175.80 3hfs s ASN 269 N -1.95 3.52 0.03 0.00 0.01 -1.26 -2.37 114.94 112.92 3hfs s ASN 269 Ca 0.13 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 3hfs s ASN 269 Cb -0.10 -1.52 -0.00 0.00 0.41 0.00 0.00 41.25 40.04 3hfs s ASN 269 CO 0.05 0.12 0.03 1.07 -1.51 0.00 0.00 177.10 176.86 3hfs n THR 270 N 3.84 0.00 -4.22 1.60 5.66 0.33 -5.01 114.28 116.48 3hfs n THR 270 Ca -0.19 -0.16 -0.16 0.00 -3.05 0.00 0.00 64.05 60.49 3hfs n THR 270 Cb 0.52 0.09 -0.11 0.00 -1.55 0.00 0.00 70.33 69.28 3hfs n THR 270 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3hfs s SER 271 N -1.18 1.74 0.10 1.09 1.04 -1.26 -2.45 113.70 112.78 3hfs s SER 271 Ca 0.03 -0.86 -0.23 0.00 0.48 0.00 0.00 55.95 55.37 3hfs s SER 271 Cb 0.00 -0.03 -0.12 0.00 0.10 0.00 0.00 66.02 65.97 3hfs s SER 271 CO 0.02 -0.23 1.73 0.58 0.98 0.00 0.00 173.24 176.31 3hfs h VAL 272 N 3.37 0.92 -0.62 5.02 2.07 -1.87 0.11 116.25 125.25 3hfs h VAL 272 Ca -0.38 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3hfs h VAL 272 Cb 1.19 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3hfs h VAL 272 CO 0.54 0.00 0.28 1.55 0.02 0.00 0.00 177.57 179.96 3hfs h PRO 273 N -0.04 0.88 -0.43 1.57 0.13 -1.85 -0.77 132.00 131.49 3hfs h PRO 273 Ca 0.02 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 3hfs h PRO 273 Cb 0.06 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.02 3hfs h PRO 273 CO -0.04 0.70 -0.22 0.93 -0.23 0.00 0.00 178.00 179.13 3hfs h GLU 274 N 0.88 0.87 0.18 0.86 3.07 -1.64 -2.55 114.58 116.25 3hfs h GLU 274 Ca 0.21 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 3hfs h GLU 274 Cb 0.12 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3hfs h GLU 274 CO -0.03 1.00 -0.09 1.25 -1.40 0.00 0.00 179.01 179.75 3hfs h LEU 275 N 0.75 -0.20 -0.74 1.33 5.85 -0.65 -2.29 115.31 119.36 3hfs h LEU 275 Ca 0.10 -0.32 0.17 0.00 0.84 0.00 0.00 57.88 58.67 3hfs h LEU 275 Cb 0.77 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.72 3hfs h LEU 275 CO 0.06 0.27 0.05 0.00 -0.34 0.00 0.00 178.44 178.48 3hfs h ALA 276 N -0.09 0.81 0.36 1.25 0.00 -1.18 0.82 119.26 121.24 3hfs h ALA 276 Ca -0.02 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hfs h ALA 276 Cb 0.51 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hfs h ALA 276 CO 0.04 -0.41 -0.36 1.57 0.00 0.00 0.00 179.25 180.09 3hfs h LYS 277 N 0.14 -0.72 -0.01 0.00 5.09 -1.47 0.12 116.57 119.72 3hfs h LYS 277 Ca 0.41 0.05 0.03 0.00 0.09 0.00 0.00 60.65 61.23 3hfs h LYS 277 Cb 0.71 0.16 -0.06 0.00 0.10 0.00 0.00 32.23 33.15 3hfs h LYS 277 CO -0.61 -0.48 -0.43 0.35 -2.09 0.00 0.00 179.45 176.19 3hfs h PHE 278 N -0.75 -1.21 -0.32 0.07 3.57 0.10 0.18 116.94 118.58 3hfs h PHE 278 Ca -0.02 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3hfs h PHE 278 Cb 0.68 0.53 -0.07 0.00 2.79 0.00 0.00 35.95 39.88 3hfs h PHE 278 CO -0.21 -0.50 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.19 3hfs h LEU 279 N -0.58 -0.40 -0.73 0.59 3.38 0.50 -0.10 115.31 117.98 3hfs h LEU 279 Ca 0.05 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3hfs h LEU 279 Cb 0.66 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3hfs h LEU 279 CO -0.32 -0.14 0.28 -1.28 0.09 0.00 0.00 178.44 177.06 3hfs h SER 280 N -0.05 1.02 0.33 -0.43 0.87 0.49 0.62 113.55 116.40 3hfs h SER 280 Ca 0.16 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 3hfs h SER 280 Cb 0.29 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3hfs h SER 280 CO -0.36 0.93 -0.33 0.11 -0.53 0.00 0.00 176.83 176.65 3hfs h LYS 281 N 1.05 0.00 0.00 2.24 6.56 -0.40 -3.27 116.57 122.76 3hfs h LYS 281 Ca 0.24 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.61 3hfs h LYS 281 Cb 0.23 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.86 3hfs h LYS 281 CO -0.02 0.33 -1.65 -2.13 -2.06 0.00 0.00 179.45 173.93 3hfs n ARG 282 N -4.14 0.63 -3.52 3.15 0.63 -0.08 -4.58 116.66 108.76 3hfs n ARG 282 Ca -0.02 0.20 -0.27 0.00 -0.92 0.00 0.00 57.85 56.85 3hfs n ARG 282 Cb 0.37 -1.76 -0.09 0.00 0.45 0.00 0.00 32.46 31.43 3hfs n ARG 282 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hfs n TYR 283 N -2.90 2.16 -0.31 -0.14 4.01 0.20 -4.94 117.16 115.25 3hfs n TYR 283 Ca -0.14 -3.98 -0.05 0.00 -0.16 0.00 0.00 57.90 53.57 3hfs n TYR 283 Cb 0.93 -0.42 0.07 0.00 -0.31 0.00 0.00 39.34 39.61 3hfs n TYR 283 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hfs h PRO 284 N 4.70 1.16 -1.78 -0.72 0.11 -1.81 -2.49 132.00 131.17 3hfs h PRO 284 Ca 0.17 -0.14 0.52 0.00 0.11 0.00 0.00 66.00 66.66 3hfs h PRO 284 Cb 0.76 -0.23 -0.07 0.00 0.11 0.00 0.00 31.00 31.57 3hfs h PRO 284 CO 0.67 0.85 1.28 -0.56 -0.21 0.00 0.00 178.00 180.03 3hfs h GLN 285 N 1.15 0.00 -5.74 1.05 -0.00 -1.92 -3.37 115.11 106.29 3hfs h GLN 285 Ca 0.29 -0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 58.28 3hfs h GLN 285 Cb 0.03 -0.00 -0.17 0.00 -0.00 0.00 0.00 27.48 27.34 3hfs h GLN 285 CO -0.05 0.00 -0.63 0.71 -0.00 0.00 0.00 178.83 178.87 3hfs s TYR 286 N -4.90 3.13 -0.79 0.06 2.02 -0.94 -5.05 117.35 110.88 3hfs s TYR 286 Ca -0.05 0.06 -0.25 0.00 -0.37 0.00 0.00 57.07 56.46 3hfs s TYR 286 Cb 0.26 -1.86 0.05 0.00 -0.40 0.00 0.00 41.96 40.01 3hfs s TYR 286 CO 0.87 0.31 1.24 -1.59 -1.57 0.00 0.00 175.55 174.81 3hfs s LYS 287 N -0.43 3.29 -0.24 -0.62 -2.85 -1.26 -4.92 119.74 112.71 3hfs s LYS 287 Ca 0.08 -0.66 -0.10 0.00 -1.00 0.00 0.00 55.97 54.28 3hfs s LYS 287 Cb -0.12 -4.49 -0.05 0.00 -2.06 0.00 0.00 37.83 31.11 3hfs s LYS 287 CO 0.02 -2.06 0.16 0.08 0.10 0.00 0.00 175.35 173.64 3hfs s VAL 288 N 5.00 5.32 0.13 1.79 1.01 -1.26 -4.95 120.40 127.43 3hfs s VAL 288 Ca 0.34 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 3hfs s VAL 288 Cb -0.08 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 3hfs s VAL 288 CO 0.07 0.35 1.26 -2.16 0.00 0.00 0.00 175.10 174.62 3hfs s PRO 289 N 1.07 4.41 0.00 2.72 0.04 -1.26 -4.81 135.00 137.17 3hfs s PRO 289 Ca 0.07 1.91 0.09 0.00 0.04 0.00 0.00 61.00 63.12 3hfs s PRO 289 Cb -0.14 -3.27 0.16 0.00 0.04 0.00 0.00 34.50 31.30 3hfs s PRO 289 CO 0.05 -0.25 1.00 0.25 0.04 0.00 0.00 177.00 178.08 3hfs n THR 290 N 3.37 0.46 -4.06 1.26 -2.24 -1.26 -4.77 114.28 107.04 3hfs n THR 290 Ca 0.08 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.81 3hfs n THR 290 Cb 0.44 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.40 3hfs n THR 290 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfs s ASP 291 N -0.89 4.41 0.00 3.42 2.15 -1.26 -4.90 116.67 119.59 3hfs s ASP 291 Ca 0.15 -1.40 0.10 0.00 0.43 0.00 0.00 52.55 51.83 3hfs s ASP 291 Cb 0.09 -1.52 0.08 0.00 -0.30 0.00 0.00 42.92 41.27 3hfs s ASP 291 CO 0.13 -0.20 0.82 0.49 -0.17 0.00 0.00 175.17 176.24 3hfs n PHE 292 N 4.45 0.02 0.00 -5.34 3.72 -1.26 -5.06 117.46 113.98 3hfs n PHE 292 Ca -0.13 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3hfs n PHE 292 Cb 0.42 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3hfs n PHE 292 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hfs n GLY 293 N 0.53 1.98 0.30 1.37 0.00 -1.26 -1.87 105.19 106.23 3hfs n GLY 293 Ca 0.06 0.44 0.17 0.00 0.00 0.00 0.00 46.02 46.69 3hfs n GLY 293 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hfs h ASP 294 N 0.00 0.00 -2.80 1.61 3.04 -2.03 -3.44 116.42 112.80 3hfs h ASP 294 Ca 0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 3hfs h ASP 294 Cb 0.00 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 38.35 3hfs h ASP 294 CO 0.00 0.03 0.97 0.12 -2.04 0.00 0.00 179.24 178.33 3hfs s PHE 295 N -4.25 2.91 0.16 4.15 5.36 -0.78 -4.85 117.98 120.68 3hfs s PHE 295 Ca -0.04 0.46 -0.32 0.00 -0.96 0.00 0.00 56.93 56.07 3hfs s PHE 295 Cb 0.13 -4.09 -0.12 0.00 -0.34 0.00 0.00 43.02 38.60 3hfs s PHE 295 CO 0.51 -4.06 1.75 -2.30 -1.46 0.00 0.00 175.22 169.66 3hfs n PRO 296 N 3.70 2.67 0.11 10.12 -0.02 -1.26 -4.90 135.00 145.43 3hfs n PRO 296 Ca 0.14 0.97 -0.02 0.00 -2.02 0.00 0.00 63.50 62.57 3hfs n PRO 296 Cb 0.36 -2.82 0.05 0.00 -0.02 0.00 0.00 33.50 31.07 3hfs n PRO 296 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hfs h PRO 297 N 7.36 0.00 -6.32 0.52 0.13 -1.92 -3.42 132.00 128.34 3hfs h PRO 297 Ca -0.45 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 3hfs h PRO 297 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 3hfs h PRO 297 CO 0.94 0.72 -0.72 0.15 -0.23 0.00 0.00 178.00 178.86 3hfs s LYS 298 N -3.14 2.49 0.37 0.86 3.01 -1.26 -4.32 119.74 117.75 3hfs s LYS 298 Ca 0.01 -0.74 -0.04 0.00 -1.01 0.00 0.00 55.97 54.18 3hfs s LYS 298 Cb 0.10 -2.45 -0.04 0.00 -1.01 0.00 0.00 37.83 34.43 3hfs s LYS 298 CO 0.77 0.60 0.63 -1.12 0.51 0.00 0.00 175.35 176.75 3hfs s SER 299 N -1.30 6.37 0.17 2.83 0.01 -1.26 -5.02 113.70 115.49 3hfs s SER 299 Ca 0.16 0.74 -0.06 0.00 1.31 0.00 0.00 55.95 58.10 3hfs s SER 299 Cb -0.11 -2.16 0.04 0.00 0.21 0.00 0.00 66.02 64.00 3hfs s SER 299 CO 0.06 -0.34 1.47 0.07 0.41 0.00 0.00 173.24 174.91 3hfs h LYS 300 N 1.02 0.68 -6.58 12.44 -0.00 -1.82 -3.46 116.57 118.85 3hfs h LYS 300 Ca -0.48 -0.43 -0.65 0.00 -0.00 0.00 0.00 60.65 59.09 3hfs h LYS 300 Cb 1.20 0.05 -0.17 0.00 -0.00 0.00 0.00 32.23 33.31 3hfs h LYS 300 CO 0.63 1.05 -0.78 -0.51 -0.00 0.00 0.00 179.45 179.84 3hfs s LEU 301 N -8.48 2.70 -0.14 7.07 1.02 -0.59 -5.07 118.68 115.19 3hfs s LEU 301 Ca -0.09 -0.69 0.01 0.00 0.02 0.00 0.00 54.13 53.38 3hfs s LEU 301 Cb 0.11 -1.44 0.02 0.00 0.02 0.00 0.00 46.19 44.90 3hfs s LEU 301 CO 0.86 0.13 -0.14 -0.63 0.02 0.00 0.00 176.35 176.59 3hfs s ILE 302 N -1.56 1.53 -0.42 -0.59 1.01 -1.26 -4.61 121.20 115.30 3hfs s ILE 302 Ca 0.22 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3hfs s ILE 302 Cb -0.09 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3hfs s ILE 302 CO 0.12 0.45 0.39 -0.63 0.00 0.00 0.00 174.94 175.27 3hfs s ILE 303 N 1.39 5.15 -0.19 2.92 -1.09 -1.26 -5.05 121.20 123.07 3hfs s ILE 303 Ca 0.03 -0.45 -0.06 0.00 -2.23 0.00 0.00 60.65 57.94 3hfs s ILE 303 Cb -0.13 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 3hfs s ILE 303 CO -0.09 -0.38 0.02 -0.55 -1.23 0.00 0.00 174.94 172.71 3hfs s SER 304 N 1.77 5.15 -0.26 3.58 0.15 -1.26 -4.83 113.70 118.00 3hfs s SER 304 Ca 0.10 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.76 3hfs s SER 304 Cb -0.18 -1.88 0.65 0.00 -1.71 0.00 0.00 66.02 62.91 3hfs s SER 304 CO 0.12 0.13 1.62 -1.20 1.20 0.00 0.00 173.24 175.11 3hfs n SER 305 N 3.85 4.54 0.28 5.45 7.64 -1.26 -4.58 113.62 129.54 3hfs n SER 305 Ca -0.17 -2.97 0.13 0.00 1.01 0.00 0.00 58.87 56.87 3hfs n SER 305 Cb 0.52 -0.70 0.80 0.00 -1.01 0.00 0.00 64.21 63.83 3hfs n SER 305 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3hfs h GLU 306 N 2.53 0.00 0.74 1.43 5.08 -1.94 0.79 114.58 123.21 3hfs h GLU 306 Ca 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3hfs h GLU 306 Cb 2.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 3hfs h GLU 306 CO 0.58 0.04 -0.45 -0.22 -1.00 0.00 0.00 179.01 177.95 3hfs h LYS 307 N 0.00 -1.08 -0.34 2.33 3.64 -1.93 0.43 116.57 119.62 3hfs h LYS 307 Ca -0.00 0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3hfs h LYS 307 Cb 0.08 0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3hfs h LYS 307 CO 0.00 -0.72 0.13 1.25 -2.27 0.00 0.00 179.45 177.84 3hfs h LEU 308 N -1.12 0.15 0.08 5.20 5.85 -1.68 0.14 115.31 123.92 3hfs h LEU 308 Ca -0.10 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3hfs h LEU 308 Cb 0.90 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hfs h LEU 308 CO 0.10 0.12 -0.14 0.58 -0.34 0.00 0.00 178.44 178.75 3hfs h VAL 309 N 0.28 0.66 -0.66 1.05 2.07 -0.81 -2.13 116.25 116.71 3hfs h VAL 309 Ca 0.15 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 3hfs h VAL 309 Cb 0.12 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3hfs h VAL 309 CO -0.15 0.00 0.08 0.11 0.02 0.00 0.00 177.57 177.63 3hfs h LYS 310 N -0.28 1.10 -0.74 1.57 6.56 0.01 -1.19 116.57 123.61 3hfs h LYS 310 Ca 0.02 -0.31 0.19 0.00 -1.06 0.00 0.00 60.65 59.49 3hfs h LYS 310 Cb 0.30 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.80 3hfs h LYS 310 CO -0.08 1.03 0.51 1.49 -2.06 0.00 0.00 179.45 180.33 3hfs h GLU 311 N 1.02 0.17 0.00 3.15 4.57 -0.64 -3.45 114.58 119.39 3hfs h GLU 311 Ca 0.20 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3hfs h GLU 311 Cb 0.48 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3hfs h GLU 311 CO 0.02 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 178.37 3hfs n GLY 312 N -1.61 3.10 3.37 1.92 0.00 -0.45 -5.07 105.19 106.46 3hfs n GLY 312 Ca 0.15 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3hfs n GLY 312 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hfs n PHE 313 N 0.00 -1.70 -3.73 1.61 7.35 -0.89 -4.91 117.46 115.19 3hfs n PHE 313 Ca 0.00 0.21 -0.12 0.00 -0.76 0.00 0.00 57.45 56.78 3hfs n PHE 313 Cb 0.00 -1.73 -0.12 0.00 0.35 0.00 0.00 39.48 37.97 3hfs n PHE 313 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hfs s SER 314 N -1.93 -0.31 0.50 -2.13 0.15 -1.26 -4.33 113.70 104.39 3hfs s SER 314 Ca 0.55 0.59 -0.22 0.00 0.70 0.00 0.00 55.95 57.58 3hfs s SER 314 Cb -0.20 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.54 3hfs s SER 314 CO 0.68 -0.16 1.25 -0.36 1.20 0.00 0.00 173.24 175.85 3hfs s PHE 315 N 1.18 2.61 -0.24 3.44 0.40 -1.26 -4.96 117.98 119.15 3hfs s PHE 315 Ca -0.08 1.47 -0.05 0.00 -0.60 0.00 0.00 56.93 57.66 3hfs s PHE 315 Cb -0.09 -3.56 -0.13 0.00 0.51 0.00 0.00 43.02 39.75 3hfs s PHE 315 CO -0.08 -2.12 -0.27 1.63 0.70 0.00 0.00 175.22 175.08 3hfs n LYS 316 N -0.76 0.56 -3.93 0.44 5.02 -1.26 -5.01 118.16 113.22 3hfs n LYS 316 Ca 0.09 0.18 -0.36 0.00 -2.02 0.00 0.00 58.31 56.20 3hfs n LYS 316 Cb 0.47 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 3hfs n LYS 316 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hfs s TYR 317 N -2.47 3.44 0.00 2.13 2.02 -1.26 -5.07 117.35 116.14 3hfs s TYR 317 Ca -0.33 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3hfs s TYR 317 Cb 0.11 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3hfs s TYR 317 CO 0.50 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 175.40 3hfs n GLY 318 N 2.58 1.74 0.24 0.71 0.00 -1.26 -4.85 105.19 104.35 3hfs n GLY 318 Ca -0.18 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 43.85 3hfs n GLY 318 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hfs h ILE 319 N -0.05 0.75 0.16 -0.61 6.09 -1.98 -0.61 117.51 121.26 3hfs h ILE 319 Ca 0.00 -0.69 -0.01 0.00 -1.37 0.00 0.00 64.86 62.79 3hfs h ILE 319 Cb 0.00 1.42 0.00 0.00 0.47 0.00 0.00 36.82 38.71 3hfs h ILE 319 CO 0.00 0.17 -0.08 -0.33 -3.07 0.00 0.00 178.15 174.84 3hfs h GLU 320 N 0.00 -0.21 -0.86 2.19 3.07 -1.99 -1.93 114.58 114.85 3hfs h GLU 320 Ca -0.00 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.95 3hfs h GLU 320 Cb 0.41 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.30 3hfs h GLU 320 CO 0.02 0.18 0.52 0.93 -1.40 0.00 0.00 179.01 179.26 3hfs h GLU 321 N -0.93 0.88 0.19 2.33 3.07 -1.91 0.46 114.58 118.67 3hfs h GLU 321 Ca -0.02 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3hfs h GLU 321 Cb 0.49 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3hfs h GLU 321 CO 0.04 0.59 -0.15 0.82 -1.40 0.00 0.00 179.01 178.90 3hfs h ILE 322 N 0.91 0.68 -0.27 3.13 2.04 -1.12 -2.63 117.51 120.24 3hfs h ILE 322 Ca 0.39 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.12 3hfs h ILE 322 Cb 0.26 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3hfs h ILE 322 CO -0.21 0.00 -0.38 1.88 0.00 0.00 0.00 178.15 179.45 3hfs h TYR 323 N -0.35 0.74 -0.58 1.37 -1.99 -0.95 -2.75 116.97 112.46 3hfs h TYR 323 Ca -0.01 -0.21 0.11 0.00 2.00 0.00 0.00 58.73 60.62 3hfs h TYR 323 Cb 0.31 -0.16 -0.08 0.00 2.00 0.00 0.00 36.73 38.80 3hfs h TYR 323 CO -0.11 0.91 0.11 -0.44 -0.00 0.00 0.00 178.16 178.63 3hfs h ASP 324 N 0.52 -0.01 0.50 3.88 3.32 -0.78 0.22 116.42 124.06 3hfs h ASP 324 Ca 0.05 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3hfs h ASP 324 Cb 0.88 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3hfs h ASP 324 CO 0.08 0.01 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.04 3hfs h GLU 325 N 0.25 -0.64 -0.54 3.56 5.08 -1.39 0.20 114.58 121.10 3hfs h GLU 325 Ca 0.30 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3hfs h GLU 325 Cb 0.44 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3hfs h GLU 325 CO -0.39 -0.37 0.24 0.77 -1.00 0.00 0.00 179.01 178.26 3hfs h SER 326 N -0.80 0.69 0.17 1.42 0.02 -1.15 1.14 113.55 115.04 3hfs h SER 326 Ca -0.07 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3hfs h SER 326 Cb 0.57 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3hfs h SER 326 CO 0.11 0.60 -0.08 0.58 -1.14 0.00 0.00 176.83 176.90 3hfs h VAL 327 N 0.76 0.88 -0.61 2.27 2.07 -0.54 -1.58 116.25 119.49 3hfs h VAL 327 Ca 0.19 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hfs h VAL 327 Cb 0.11 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3hfs h VAL 327 CO -0.02 0.05 0.38 -0.08 0.02 0.00 0.00 177.57 177.92 3hfs h GLU 328 N -0.33 0.82 -0.78 1.57 4.81 0.12 -1.23 114.58 119.56 3hfs h GLU 328 Ca -0.02 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3hfs h GLU 328 Cb 0.26 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 3hfs h GLU 328 CO 0.04 0.57 0.46 -0.92 -0.73 0.00 0.00 179.01 178.44 3hfs h TYR 329 N 0.83 0.85 0.00 0.92 3.20 0.12 -2.02 116.97 120.87 3hfs h TYR 329 Ca 0.22 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 3hfs h TYR 329 Cb -0.05 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.94 3hfs h TYR 329 CO -0.02 0.42 -0.52 0.74 -1.64 0.00 0.00 178.16 177.13 3hfs h PHE 330 N 0.84 0.00 0.91 -3.82 -1.00 -0.89 -2.70 116.94 110.29 3hfs h PHE 330 Ca 0.34 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.08 3hfs h PHE 330 Cb 0.19 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.75 3hfs h PHE 330 CO -0.05 0.52 -0.48 0.87 -1.61 0.00 0.00 178.31 177.57 3hfs h LYS 331 N 0.00 -1.23 -0.94 1.51 1.57 -0.55 -0.46 116.57 116.48 3hfs h LYS 331 Ca -0.01 0.08 0.27 0.00 -1.87 0.00 0.00 60.65 59.13 3hfs h LYS 331 Cb 1.02 0.28 -0.16 0.00 0.08 0.00 0.00 32.23 33.44 3hfs h LYS 331 CO 0.07 -0.82 0.20 0.00 -0.57 0.00 0.00 179.45 178.33 3hfs h ALA 332 N -1.33 1.36 0.00 3.86 0.00 -1.34 3.13 119.26 124.95 3hfs h ALA 332 Ca -0.12 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hfs h ALA 332 Cb 0.99 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hfs h ALA 332 CO 0.18 -0.58 0.00 0.87 0.00 0.00 0.00 179.25 179.72 3hfs h LYS 333 N 0.10 0.00 -3.41 0.00 1.79 -1.15 -3.46 116.57 110.44 3hfs h LYS 333 Ca 0.61 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.78 3hfs h LYS 333 Cb 1.32 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 32.01 3hfs h LYS 333 CO -0.77 0.00 -0.46 0.41 -1.08 0.00 0.00 179.45 177.55 3hfs n GLY 334 N -0.09 -0.23 0.07 3.86 0.00 1.04 -4.91 105.19 104.94 3hfs n GLY 334 Ca 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3hfs n GLY 334 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hfs h LEU 335 N -1.00 0.00 -8.49 0.99 4.07 -1.29 -3.46 115.31 106.13 3hfs h LEU 335 Ca -0.40 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 56.89 3hfs h LEU 335 Cb 1.28 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 42.71 3hfs h LEU 335 CO 0.43 0.99 -0.88 -0.22 -1.08 0.00 0.00 178.44 177.68 3hfs s LEU 336 N -6.35 2.05 0.00 1.67 2.96 -1.22 -5.03 118.68 112.76 3hfs s LEU 336 Ca -0.02 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3hfs s LEU 336 Cb 0.09 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.47 3hfs s LEU 336 CO 0.82 0.26 0.00 0.00 -1.32 0.00 0.00 176.35 176.11