#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfa h GLU 10 N 0.00 0.82 -0.63 3.17 4.57 -2.05 -2.77 114.58 117.68 3hfa h GLU 10 Ca 0.00 -0.14 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 3hfa h GLU 10 Cb 0.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3hfa h GLU 10 CO 0.00 0.70 0.04 0.37 -1.18 0.00 0.00 179.01 178.95 3hfa h GLN 11 N 0.75 1.08 -0.65 1.92 4.15 -2.05 -2.25 115.11 118.06 3hfa h GLN 11 Ca 0.18 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 3hfa h GLN 11 Cb 0.19 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3hfa h GLN 11 CO -0.02 1.03 0.35 0.00 -1.93 0.00 0.00 178.83 178.26 3hfa h ALA 12 N 1.04 0.84 -0.68 3.38 0.00 -1.96 0.23 119.26 122.11 3hfa h ALA 12 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 12 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hfa h ALA 12 CO 0.02 0.36 0.15 0.52 0.00 0.00 0.00 179.25 180.31 3hfa h MET 13 N 0.89 1.09 -0.62 0.00 2.86 -1.44 -1.52 114.93 116.19 3hfa h MET 13 Ca 0.23 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3hfa h MET 13 Cb 0.06 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3hfa h MET 13 CO -0.04 0.97 0.31 -0.09 1.06 0.00 0.00 176.91 179.13 3hfa h ARG 14 N 1.03 0.88 -0.43 1.72 2.43 -0.70 -1.19 114.38 118.12 3hfa h ARG 14 Ca 0.21 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 3hfa h ARG 14 Cb 0.38 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3hfa h ARG 14 CO 0.00 0.70 -0.15 0.93 -1.51 0.00 0.00 179.97 179.94 3hfa h GLU 15 N 0.85 0.87 -0.43 0.20 5.08 -0.35 -0.61 114.58 120.18 3hfa h GLU 15 Ca 0.21 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3hfa h GLU 15 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3hfa h GLU 15 CO -0.03 0.99 0.15 0.00 -1.00 0.00 0.00 179.01 179.13 3hfa h ARG 16 N 0.70 0.65 -0.75 2.33 3.08 -1.13 0.04 114.38 119.30 3hfa h ARG 16 Ca 0.10 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3hfa h ARG 16 Cb 0.70 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3hfa h ARG 16 CO 0.05 0.62 0.49 1.03 -1.07 0.00 0.00 179.97 181.10 3hfa h SER 17 N 0.55 0.85 -0.17 7.04 0.87 -1.14 -1.92 113.55 119.63 3hfa h SER 17 Ca 0.14 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3hfa h SER 17 Cb 0.23 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3hfa h SER 17 CO -0.01 0.61 0.05 -0.08 -0.53 0.00 0.00 176.83 176.87 3hfa h GLU 18 N 1.00 0.27 -0.46 2.24 4.57 -0.70 -0.36 114.58 121.13 3hfa h GLU 18 Ca 0.28 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 3hfa h GLU 18 Cb -0.10 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3hfa h GLU 18 CO -0.07 0.38 0.20 1.25 -1.18 0.00 0.00 179.01 179.60 3hfa h LEU 19 N 0.10 0.27 -0.17 1.64 6.46 -0.79 -0.37 115.31 122.44 3hfa h LEU 19 Ca 0.06 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 3hfa h LEU 19 Cb 0.23 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3hfa h LEU 19 CO -0.00 0.19 0.01 0.00 -0.62 0.00 0.00 178.44 178.02 3hfa h ALA 20 N 1.27 0.23 -0.66 1.25 0.00 -1.20 -2.06 119.26 118.09 3hfa h ALA 20 Ca 0.21 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 20 Cb 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 20 CO -0.17 -0.08 0.37 -0.09 0.00 0.00 0.00 179.25 179.27 3hfa h ARG 21 N 0.05 0.67 -0.28 0.00 2.43 -0.80 -1.24 114.38 115.21 3hfa h ARG 21 Ca 0.05 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3hfa h ARG 21 Cb 0.35 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hfa h ARG 21 CO 0.01 0.45 0.08 0.87 -1.51 0.00 0.00 179.97 179.86 3hfa h LYS 22 N 0.69 0.44 -0.56 0.20 1.57 -0.99 -0.46 116.57 117.46 3hfa h LYS 22 Ca 0.29 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3hfa h LYS 22 Cb 0.16 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3hfa h LYS 22 CO -0.17 0.52 0.35 0.78 -0.57 0.00 0.00 179.45 180.35 3hfa h GLY 23 N 0.29 0.80 0.93 3.86 0.00 -0.93 -1.52 103.07 106.51 3hfa h GLY 23 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3hfa h GLY 23 CO -0.00 0.23 0.02 -2.22 0.00 0.00 0.00 176.54 174.57 3hfa h ILE 24 N 0.69 1.25 0.00 2.60 2.04 -1.12 -2.72 117.51 120.25 3hfa h ILE 24 Ca 0.22 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3hfa h ILE 24 Cb 0.01 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3hfa h ILE 24 CO -0.09 0.32 -0.01 0.00 0.00 0.00 0.00 178.15 178.37 3hfa h ALA 25 N 0.89 1.26 -0.00 1.87 0.00 -0.74 -0.46 119.26 122.06 3hfa h ALA 25 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 25 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hfa h ALA 25 CO 0.02 0.01 -0.35 -2.13 0.00 0.00 0.00 179.25 176.80 3hfa n ARG 26 N -3.47 0.32 -2.60 0.00 0.63 -0.60 -3.77 116.66 107.17 3hfa n ARG 26 Ca -0.03 -0.17 -0.22 0.00 -0.92 0.00 0.00 57.85 56.52 3hfa n ARG 26 Cb 0.10 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.56 3hfa n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hfa s ALA 27 N -2.80 3.83 0.59 5.13 0.00 -0.34 -4.89 121.76 123.28 3hfa s ALA 27 Ca 0.17 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 3hfa s ALA 27 Cb 0.18 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3hfa s ALA 27 CO 0.61 -0.82 1.03 0.15 0.00 0.00 0.00 175.76 176.73 3hfa s LYS 28 N -4.82 3.49 0.28 0.00 1.02 -1.26 -1.83 119.74 116.62 3hfa s LYS 28 Ca 0.58 0.99 -0.03 0.00 0.02 0.00 0.00 55.97 57.54 3hfa s LYS 28 Cb -0.10 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 3hfa s LYS 28 CO 0.39 -0.66 0.52 -1.12 -0.92 0.00 0.00 175.35 173.56 3hfa s SER 29 N -3.34 6.39 -0.03 2.83 0.01 -1.26 -4.33 113.70 113.97 3hfa s SER 29 Ca 0.59 0.57 -0.04 0.00 1.31 0.00 0.00 55.95 58.39 3hfa s SER 29 Cb -0.13 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.02 3hfa s SER 29 CO 0.42 -0.19 0.09 -0.69 0.41 0.00 0.00 173.24 173.28 3hfa s VAL 30 N -2.10 0.02 0.07 3.43 1.01 0.34 -1.66 120.40 121.50 3hfa s VAL 30 Ca 0.42 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.31 3hfa s VAL 30 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 3hfa s VAL 30 CO 0.31 -0.08 -0.16 0.68 0.00 0.00 0.00 175.10 175.85 3hfa s VAL 31 N -0.22 1.29 -0.06 2.92 -7.23 -0.16 -0.78 120.40 116.16 3hfa s VAL 31 Ca -0.03 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 3hfa s VAL 31 Cb -0.02 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.73 3hfa s VAL 31 CO 0.00 -0.09 -0.14 0.00 -0.31 0.00 0.00 175.10 174.56 3hfa s ALA 32 N -1.10 1.33 -0.04 1.32 0.00 -0.18 -1.47 121.76 121.63 3hfa s ALA 32 Ca 0.02 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3hfa s ALA 32 Cb -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3hfa s ALA 32 CO 0.02 0.17 -0.13 -0.51 0.00 0.00 0.00 175.76 175.31 3hfa s LEU 33 N 0.43 1.82 0.46 0.00 1.02 -0.30 -0.91 118.68 121.20 3hfa s LEU 33 Ca -0.11 -0.27 -0.22 0.00 0.02 0.00 0.00 54.13 53.56 3hfa s LEU 33 Cb -0.14 -0.76 -0.08 0.00 0.02 0.00 0.00 46.19 45.22 3hfa s LEU 33 CO 0.03 0.10 1.06 0.00 0.02 0.00 0.00 176.35 177.56 3hfa s ALA 34 N 0.19 2.94 0.36 4.21 0.00 -0.41 0.29 121.76 129.34 3hfa s ALA 34 Ca -0.05 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 3hfa s ALA 34 Cb -0.11 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3hfa s ALA 34 CO 0.02 -0.34 0.70 2.48 0.00 0.00 0.00 175.76 178.62 3hfa n TYR 35 N -0.66 -2.15 -0.30 0.00 0.18 -0.71 -4.68 117.16 108.83 3hfa n TYR 35 Ca 0.08 -1.81 -0.03 0.00 1.88 0.00 0.00 57.90 58.01 3hfa n TYR 35 Cb 0.51 0.82 0.09 0.00 -0.38 0.00 0.00 39.34 40.37 3hfa n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hfa h ALA 36 N 2.00 1.06 -0.64 -3.48 0.00 -1.55 -2.42 119.26 114.22 3hfa h ALA 36 Ca -0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3hfa h ALA 36 Cb 1.15 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hfa h ALA 36 CO 0.39 0.42 0.13 0.78 0.00 0.00 0.00 179.25 180.98 3hfa h GLY 37 N 1.09 1.11 0.00 0.00 0.00 -1.93 -3.49 103.07 99.85 3hfa h GLY 37 Ca 0.31 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3hfa h GLY 37 CO -0.08 0.65 0.00 0.61 0.00 0.00 0.00 176.54 177.71 3hfa n GLY 38 N -0.69 0.69 3.77 4.60 0.00 -0.91 -1.98 105.19 110.66 3hfa n GLY 38 Ca 0.05 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 3hfa n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfa s VAL 39 N -2.94 3.29 -0.06 1.61 1.01 -1.21 -1.74 120.40 120.36 3hfa s VAL 39 Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.06 3hfa s VAL 39 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3hfa s VAL 39 CO 0.00 0.04 -0.23 -0.22 0.00 0.00 0.00 175.10 174.69 3hfa s LEU 40 N -2.69 2.02 -0.14 3.92 2.96 0.15 -0.98 118.68 123.92 3hfa s LEU 40 Ca 0.59 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3hfa s LEU 40 Cb -0.28 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 3hfa s LEU 40 CO 0.34 0.20 -0.15 -0.36 -1.32 0.00 0.00 176.35 175.06 3hfa s PHE 41 N 0.01 2.77 -0.06 5.38 0.08 0.41 -1.15 117.98 125.41 3hfa s PHE 41 Ca -0.07 -0.85 -0.01 0.00 0.12 0.00 0.00 56.93 56.12 3hfa s PHE 41 Cb -0.14 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3hfa s PHE 41 CO 0.04 -0.35 0.00 0.08 -0.10 0.00 0.00 175.22 174.90 3hfa s VAL 42 N 0.55 0.31 -0.01 -0.44 1.01 -0.54 -2.17 120.40 119.11 3hfa s VAL 42 Ca -0.09 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3hfa s VAL 42 Cb -0.16 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 3hfa s VAL 42 CO 0.04 0.23 -0.15 0.00 0.00 0.00 0.00 175.10 175.22 3hfa s ALA 43 N 1.77 1.29 -0.18 5.51 0.00 -0.56 -0.99 121.76 128.60 3hfa s ALA 43 Ca 0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3hfa s ALA 43 Cb -0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3hfa s ALA 43 CO -0.04 0.31 2.05 -1.21 0.00 0.00 0.00 175.76 176.87 3hfa s GLU 44 N -0.33 3.44 -0.26 0.00 2.02 -0.67 -1.06 118.70 121.84 3hfa s GLU 44 Ca 0.05 2.04 -0.01 0.00 0.02 0.00 0.00 54.97 57.07 3hfa s GLU 44 Cb -0.06 -4.27 0.15 0.00 0.10 0.00 0.00 34.13 30.05 3hfa s GLU 44 CO -0.00 -1.75 0.43 1.21 0.02 0.00 0.00 175.26 175.17 3hfa s ASN 45 N 6.78 -0.10 0.17 -0.19 3.84 0.20 -4.65 114.94 120.99 3hfa s ASN 45 Ca 0.92 0.23 -0.03 0.00 0.21 0.00 0.00 52.86 54.19 3hfa s ASN 45 Cb -0.33 1.34 0.03 0.00 -0.55 0.00 0.00 41.25 41.74 3hfa s ASN 45 CO 0.36 -0.30 1.42 -0.65 -2.79 0.00 0.00 177.10 175.13 3hfa h PRO 46 N 8.14 0.47 -6.92 0.43 0.11 -1.79 -3.21 132.00 129.22 3hfa h PRO 46 Ca -0.17 -0.38 -0.56 0.00 0.11 0.00 0.00 66.00 65.00 3hfa h PRO 46 Cb 1.15 0.08 0.14 0.00 0.11 0.00 0.00 31.00 32.48 3hfa h PRO 46 CO 0.26 1.01 0.49 0.45 -0.21 0.00 0.00 178.00 180.00 3hfa n SER 47 N -3.86 2.36 0.05 -2.05 2.88 -1.26 -4.77 113.62 106.97 3hfa n SER 47 Ca -0.05 1.01 -0.10 0.00 -1.33 0.00 0.00 58.87 58.40 3hfa n SER 47 Cb 0.71 -1.52 -0.13 0.00 -0.75 0.00 0.00 64.21 62.52 3hfa n SER 47 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3hfa h ARG 48 N 1.57 0.08 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.34 3hfa h ARG 48 Ca -0.49 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.45 3hfa h ARG 48 Cb 1.31 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.44 3hfa h ARG 48 CO 0.57 0.95 -0.53 -1.13 0.10 0.00 0.00 179.97 179.93 3hfa n SER 49 N -3.33 2.67 -4.73 0.08 3.41 -1.26 -5.00 113.62 105.47 3hfa n SER 49 Ca -0.08 -0.08 -0.39 0.00 -0.26 0.00 0.00 58.87 58.06 3hfa n SER 49 Cb 0.99 0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 65.59 3hfa n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 50 N -1.93 4.31 0.03 1.04 1.43 -1.26 -5.06 118.68 117.25 3hfa s LEU 50 Ca 0.00 1.04 0.09 0.00 -1.03 0.00 0.00 54.13 54.22 3hfa s LEU 50 Cb 0.00 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 3hfa s LEU 50 CO 0.00 -0.04 -0.25 -1.10 0.23 0.00 0.00 176.35 175.19 3hfa s GLN 51 N 0.59 1.90 0.00 1.70 -0.21 -1.26 -4.77 119.66 117.61 3hfa s GLN 51 Ca 0.32 -1.06 0.04 0.00 0.02 0.00 0.00 55.36 54.69 3hfa s GLN 51 Cb -0.17 -2.03 0.04 0.00 1.00 0.00 0.00 33.01 31.85 3hfa s GLN 51 CO 0.15 0.53 0.66 0.36 -2.12 0.00 0.00 175.29 174.87 3hfa n LYS 52 N 1.83 -0.23 -5.03 2.91 2.85 -1.26 -4.97 118.16 114.25 3hfa n LYS 52 Ca -0.17 -0.81 -0.28 0.00 -1.05 0.00 0.00 58.31 56.00 3hfa n LYS 52 Cb 0.52 -1.09 -0.16 0.00 -0.65 0.00 0.00 35.03 33.65 3hfa n LYS 52 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3hfa s ILE 53 N -0.40 1.69 0.19 0.58 1.01 -1.26 -1.40 121.20 121.61 3hfa s ILE 53 Ca 0.05 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 3hfa s ILE 53 Cb 0.04 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 41.11 3hfa s ILE 53 CO 0.06 0.48 0.51 -0.55 0.00 0.00 0.00 174.94 175.44 3hfa s SER 54 N -0.25 -0.27 -0.19 3.58 0.15 0.77 -5.00 113.70 112.49 3hfa s SER 54 Ca 0.01 -0.44 -0.20 0.00 0.70 0.00 0.00 55.95 56.03 3hfa s SER 54 Cb -0.11 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 3hfa s SER 54 CO 0.01 -1.03 0.58 -0.70 1.20 0.00 0.00 173.24 173.30 3hfa s GLU 55 N -3.86 4.21 -0.22 5.44 2.12 -1.26 -0.31 118.70 124.82 3hfa s GLU 55 Ca 0.08 0.53 -0.06 0.00 0.36 0.00 0.00 54.97 55.88 3hfa s GLU 55 Cb -0.01 -3.56 -0.19 0.00 0.26 0.00 0.00 34.13 30.63 3hfa s GLU 55 CO -0.04 -0.18 -0.05 1.28 -0.54 0.00 0.00 175.26 175.73 3hfa n LEU 56 N 4.86 2.57 0.00 2.70 4.77 -0.95 -4.92 117.00 126.03 3hfa n LEU 56 Ca -0.03 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 3hfa n LEU 56 Cb 0.50 -0.96 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3hfa n LEU 56 CO 0.43 0.78 0.03 0.00 -1.33 0.00 0.00 177.39 177.30 3hfa n TYR 57 N -3.64 -0.72 -0.18 -1.77 9.36 -1.10 -4.69 117.16 114.43 3hfa n TYR 57 Ca -0.42 -0.27 -0.05 0.00 3.32 0.00 0.00 57.90 60.48 3hfa n TYR 57 Cb 0.95 0.08 0.04 0.00 -0.63 0.00 0.00 39.34 39.78 3hfa n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3hfa h ASP 58 N 0.24 0.53 -0.14 2.98 3.32 -1.96 -3.15 116.42 118.24 3hfa h ASP 58 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hfa h ASP 58 Cb 0.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hfa h ASP 58 CO 0.05 0.37 0.00 0.54 -1.72 0.00 0.00 179.24 178.48 3hfa n ARG 59 N -4.78 2.80 -4.76 3.56 5.12 -1.26 -0.63 116.66 116.72 3hfa n ARG 59 Ca 0.04 -1.87 -0.31 0.00 -1.93 0.00 0.00 57.85 53.78 3hfa n ARG 59 Cb 0.07 -1.19 -0.13 0.00 -1.16 0.00 0.00 32.46 30.05 3hfa n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hfa s VAL 60 N -1.28 2.73 0.23 1.55 1.01 -1.19 -1.82 120.40 121.63 3hfa s VAL 60 Ca 0.14 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 61.04 3hfa s VAL 60 Cb 0.09 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3hfa s VAL 60 CO 0.06 0.39 -0.05 -0.83 0.00 0.00 0.00 175.10 174.68 3hfa s GLY 61 N -1.27 1.53 -0.02 4.51 0.00 0.31 -2.23 107.32 110.15 3hfa s GLY 61 Ca 0.14 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.12 3hfa s GLY 61 CO 0.04 -1.70 -0.00 -0.12 0.00 0.00 0.00 173.10 171.31 3hfa s PHE 62 N -3.26 0.21 0.02 1.90 5.36 0.57 -2.05 117.98 120.73 3hfa s PHE 62 Ca 0.26 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 3hfa s PHE 62 Cb 0.04 -0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.43 3hfa s PHE 62 CO 0.08 -0.08 -0.04 0.00 -1.46 0.00 0.00 175.22 173.72 3hfa s ALA 63 N 0.67 0.25 0.01 11.12 0.00 -0.56 -0.16 121.76 133.09 3hfa s ALA 63 Ca -0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 3hfa s ALA 63 Cb -0.09 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hfa s ALA 63 CO -0.01 -0.09 0.20 0.00 0.00 0.00 0.00 175.76 175.85 3hfa s ALA 64 N -1.24 -0.45 0.11 0.00 0.00 -0.49 -0.23 121.76 119.46 3hfa s ALA 64 Ca -0.12 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 51.84 3hfa s ALA 64 Cb -0.09 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3hfa s ALA 64 CO -0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 175.76 175.28 3hfa s ALA 65 N -1.78 1.77 0.00 0.00 0.00 -0.53 -4.86 121.76 116.36 3hfa s ALA 65 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3hfa s ALA 65 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3hfa s ALA 65 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.49 3hfa n GLY 66 N 0.97 0.27 3.66 0.00 0.00 -1.26 -1.49 105.19 107.34 3hfa n GLY 66 Ca -0.19 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 3hfa n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hfa s LYS 67 N -0.20 4.22 0.10 1.61 2.20 -0.49 -4.90 119.74 122.27 3hfa s LYS 67 Ca 0.00 1.50 -0.25 0.00 -0.36 0.00 0.00 55.97 56.86 3hfa s LYS 67 Cb 0.00 -3.72 -0.11 0.00 -1.51 0.00 0.00 37.83 32.48 3hfa s LYS 67 CO 0.00 -0.71 1.69 0.35 -0.36 0.00 0.00 175.35 176.32 3hfa h PHE 68 N 7.98 -0.32 -0.42 4.03 3.57 -1.95 -1.59 116.94 128.24 3hfa h PHE 68 Ca -0.23 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.36 3hfa h PHE 68 Cb 1.08 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 3hfa h PHE 68 CO 0.79 -0.19 0.29 -2.95 -2.23 0.00 0.00 178.31 174.02 3hfa h ASN 69 N -0.26 0.17 0.01 0.41 7.08 -1.99 0.13 115.58 121.14 3hfa h ASN 69 Ca 0.01 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.16 3hfa h ASN 69 Cb 0.26 -0.03 0.01 0.00 -2.08 0.00 0.00 38.32 36.47 3hfa h ASN 69 CO -0.05 0.11 -0.29 -0.33 -2.08 0.00 0.00 177.43 174.78 3hfa h GLU 70 N 0.20 0.18 0.00 4.14 5.08 -1.75 -2.68 114.58 119.75 3hfa h GLU 70 Ca 0.19 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3hfa h GLU 70 Cb 0.52 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hfa h GLU 70 CO -0.03 0.96 -0.35 0.27 -1.00 0.00 0.00 179.01 178.86 3hfa h PHE 71 N -0.51 0.00 -0.53 4.33 -5.15 -0.94 -2.76 116.94 111.39 3hfa h PHE 71 Ca -0.04 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.62 3hfa h PHE 71 Cb 1.08 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.23 3hfa h PHE 71 CO 0.19 0.35 -0.12 0.22 -2.00 0.00 0.00 178.31 176.95 3hfa h ASP 72 N 0.00 1.01 -0.37 -0.68 3.58 -0.84 0.19 116.42 119.31 3hfa h ASP 72 Ca -0.00 -0.36 0.07 0.00 0.42 0.00 0.00 57.03 57.16 3hfa h ASP 72 Cb 0.93 -0.28 -0.07 0.00 1.72 0.00 0.00 39.33 41.64 3hfa h ASP 72 CO 0.05 1.14 -0.05 0.78 -2.88 0.00 0.00 179.24 178.27 3hfa h ASN 73 N 0.88 -0.25 -0.66 2.28 2.35 -1.30 -0.94 115.58 117.94 3hfa h ASN 73 Ca 0.13 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3hfa h ASN 73 Cb 0.68 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 3hfa h ASN 73 CO 0.05 -0.08 0.15 -0.07 -1.65 0.00 0.00 177.43 175.82 3hfa h LEU 74 N 0.05 1.02 -0.14 1.61 3.38 -1.18 -0.54 115.31 119.51 3hfa h LEU 74 Ca 0.18 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hfa h LEU 74 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hfa h LEU 74 CO -0.35 0.99 -0.06 -0.09 0.09 0.00 0.00 178.44 179.02 3hfa h ARG 75 N 1.02 -0.04 -0.63 1.13 2.43 -0.26 -0.39 114.38 117.64 3hfa h ARG 75 Ca 0.21 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3hfa h ARG 75 Cb 0.38 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3hfa h ARG 75 CO 0.00 -0.03 0.18 0.00 -1.51 0.00 0.00 179.97 178.61 3hfa h ARG 76 N -0.05 0.98 -0.78 0.20 3.08 -0.93 -1.80 114.38 115.08 3hfa h ARG 76 Ca 0.08 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3hfa h ARG 76 Cb 0.16 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3hfa h ARG 76 CO -0.17 0.85 0.33 0.78 -1.07 0.00 0.00 179.97 180.69 3hfa h GLY 77 N 1.04 1.23 1.04 0.04 0.00 -0.72 -0.49 103.07 105.21 3hfa h GLY 77 Ca 0.21 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 3hfa h GLY 77 CO -0.00 0.61 -0.12 -1.33 0.00 0.00 0.00 176.54 175.70 3hfa h GLY 78 N 1.11 0.97 1.11 4.60 0.00 -0.70 -0.10 103.07 110.06 3hfa h GLY 78 Ca 0.26 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 3hfa h GLY 78 CO -0.03 0.73 0.23 -2.22 0.00 0.00 0.00 176.54 175.26 3hfa h ILE 79 N 0.73 1.26 -0.17 2.60 2.04 -1.15 0.11 117.51 122.93 3hfa h ILE 79 Ca 0.12 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3hfa h ILE 79 Cb 0.66 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3hfa h ILE 79 CO 0.05 0.35 0.10 -0.61 0.00 0.00 0.00 178.15 178.04 3hfa h GLN 80 N 1.08 0.21 0.06 2.37 5.75 -0.86 -1.35 115.11 122.35 3hfa h GLN 80 Ca 0.24 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3hfa h GLN 80 Cb 0.29 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3hfa h GLN 80 CO -0.01 0.14 -0.03 0.35 -2.65 0.00 0.00 178.83 176.63 3hfa h PHE 81 N 0.21 -0.07 0.08 3.99 3.57 -0.63 -1.79 116.94 122.31 3hfa h PHE 81 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3hfa h PHE 81 Cb -0.01 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3hfa h PHE 81 CO -0.08 0.06 -0.09 0.00 -2.23 0.00 0.00 178.31 175.97 3hfa h ALA 82 N 0.76 -0.17 -0.66 2.41 0.00 -0.75 -1.04 119.26 119.81 3hfa h ALA 82 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 82 Cb 0.16 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hfa h ALA 82 CO 0.01 -0.61 0.31 -0.44 0.00 0.00 0.00 179.25 178.52 3hfa h ASP 83 N -0.20 0.85 -0.03 0.00 3.32 -1.21 -0.55 116.42 118.59 3hfa h ASP 83 Ca 0.01 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3hfa h ASP 83 Cb 0.20 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hfa h ASP 83 CO -0.03 0.73 0.01 0.74 -1.72 0.00 0.00 179.24 178.96 3hfa h THR 84 N 0.93 1.19 -0.28 0.35 2.02 -1.11 -1.53 112.91 114.48 3hfa h THR 84 Ca 0.23 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.85 3hfa h THR 84 Cb 0.11 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3hfa h THR 84 CO -0.03 0.16 0.13 0.03 0.37 0.00 0.00 175.52 176.18 3hfa h ARG 85 N -0.18 0.27 -0.78 6.66 2.47 -0.89 0.14 114.38 122.07 3hfa h ARG 85 Ca 0.01 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 3hfa h ARG 85 Cb 0.24 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.45 3hfa h ARG 85 CO 0.00 0.18 0.48 0.78 0.56 0.00 0.00 179.97 181.97 3hfa h GLY 86 N 0.28 1.15 0.97 0.04 0.00 -1.08 0.13 103.07 104.55 3hfa h GLY 86 Ca 0.12 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 3hfa h GLY 86 CO -0.09 0.26 -0.11 -1.82 0.00 0.00 0.00 176.54 174.78 3hfa h TYR 87 N 0.90 0.84 -0.70 5.60 3.20 -0.95 -3.06 116.97 122.80 3hfa h TYR 87 Ca 0.33 -0.19 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3hfa h TYR 87 Cb 0.11 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3hfa h TYR 87 CO -0.04 0.90 0.20 0.00 -1.64 0.00 0.00 178.16 177.58 3hfa h ALA 88 N 0.83 0.92 -3.00 1.82 0.00 -0.12 -3.44 119.26 116.27 3hfa h ALA 88 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hfa h ALA 88 Cb 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hfa h ALA 88 CO 0.04 0.61 0.00 0.66 0.00 0.00 0.00 179.25 180.56 3hfa n TYR 89 N -4.28 0.00 -4.03 0.00 4.01 0.39 -5.08 117.16 108.17 3hfa n TYR 89 Ca 0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.71 3hfa n TYR 89 Cb 0.24 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 3hfa n TYR 89 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3hfa s ASP 90 N 0.47 0.35 0.25 7.72 2.15 -1.16 -4.93 116.67 121.53 3hfa s ASP 90 Ca 0.00 -0.71 -0.03 0.00 0.43 0.00 0.00 52.55 52.24 3hfa s ASP 90 Cb 0.00 0.14 0.49 0.00 -0.30 0.00 0.00 42.92 43.26 3hfa s ASP 90 CO 0.00 -0.42 1.71 0.03 -0.17 0.00 0.00 175.17 176.32 3hfa h ARG 91 N 4.02 0.38 0.00 4.34 3.08 -1.89 0.81 114.38 125.12 3hfa h ARG 91 Ca -0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hfa h ARG 91 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3hfa h ARG 91 CO 0.51 0.25 0.00 0.54 -1.07 0.00 0.00 179.97 180.20 3hfa n ARG 92 N -5.05 0.02 0.03 0.04 5.12 -1.26 -1.59 116.66 113.96 3hfa n ARG 92 Ca 0.15 0.33 0.12 0.00 -1.93 0.00 0.00 57.85 56.52 3hfa n ARG 92 Cb 0.46 -1.50 0.24 0.00 -1.16 0.00 0.00 32.46 30.50 3hfa n ARG 92 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3hfa n ASP 93 N -1.47 0.55 -4.68 0.55 8.00 0.28 -4.82 116.55 114.95 3hfa n ASP 93 Ca 0.02 -0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3hfa n ASP 93 Cb 0.10 0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 3hfa n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfa s VAL 94 N -3.08 4.89 0.13 2.53 1.01 -0.62 -5.02 120.40 120.25 3hfa s VAL 94 Ca 0.09 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.80 3hfa s VAL 94 Cb 0.16 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3hfa s VAL 94 CO 0.70 0.07 -0.11 0.42 0.00 0.00 0.00 175.10 176.17 3hfa s THR 95 N 1.86 1.20 0.19 3.92 -4.23 -1.26 -4.98 115.64 112.34 3hfa s THR 95 Ca 0.40 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 3hfa s THR 95 Cb -0.17 -1.68 0.10 0.00 1.34 0.00 0.00 72.50 72.09 3hfa s THR 95 CO 0.15 -0.62 1.85 1.23 -0.54 0.00 0.00 174.62 176.69 3hfa h GLY 96 N 3.11 0.88 0.35 3.99 0.00 -1.93 -2.03 103.07 107.44 3hfa h GLY 96 Ca -0.38 -0.34 0.11 0.00 0.00 0.00 0.00 47.33 46.73 3hfa h GLY 96 CO 0.58 0.33 0.35 -0.09 0.00 0.00 0.00 176.54 177.71 3hfa h ARG 97 N 0.84 0.54 0.12 4.80 2.43 -1.96 0.84 114.38 122.00 3hfa h ARG 97 Ca 0.23 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3hfa h ARG 97 Cb -0.08 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3hfa h ARG 97 CO -0.05 0.36 -0.15 0.37 -1.51 0.00 0.00 179.97 178.99 3hfa h GLN 98 N 0.56 -0.30 -0.46 0.20 4.15 -1.80 0.16 115.11 117.62 3hfa h GLN 98 Ca 0.38 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.79 3hfa h GLN 98 Cb 0.48 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 3hfa h GLN 98 CO -0.32 -0.20 0.14 -0.07 -1.93 0.00 0.00 178.83 176.45 3hfa h LEU 99 N -0.32 0.66 -0.95 -2.39 3.38 -0.93 -1.23 115.31 113.55 3hfa h LEU 99 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3hfa h LEU 99 Cb 0.31 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3hfa h LEU 99 CO -0.06 0.70 0.53 0.00 0.09 0.00 0.00 178.44 179.70 3hfa h ALA 100 N 0.99 1.20 -0.27 1.53 0.00 -0.66 0.53 119.26 122.58 3hfa h ALA 100 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hfa h ALA 100 Cb 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hfa h ALA 100 CO -0.00 0.66 -0.14 -0.97 0.00 0.00 0.00 179.25 178.79 3hfa h ASN 101 N 1.28 0.45 0.40 0.00 -0.73 -0.36 -1.56 115.58 115.06 3hfa h ASN 101 Ca 0.33 -0.12 -0.23 0.00 1.87 0.00 0.00 56.30 58.15 3hfa h ASN 101 Cb -0.02 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.45 3hfa h ASN 101 CO -0.06 0.62 -0.98 1.62 -0.37 0.00 0.00 177.43 178.27 3hfa h VAL 102 N 0.43 1.42 -0.57 2.57 3.04 -0.18 -2.87 116.25 120.09 3hfa h VAL 102 Ca 0.08 -2.55 -0.05 0.00 -1.01 0.00 0.00 66.70 63.16 3hfa h VAL 102 Cb 0.51 2.50 -0.02 0.00 -2.01 0.00 0.00 31.29 32.26 3hfa h VAL 102 CO 0.03 0.76 0.15 1.88 -1.01 0.00 0.00 177.57 179.38 3hfa h TYR 103 N 0.20 0.96 -0.15 3.17 0.05 -0.74 -0.78 116.97 119.67 3hfa h TYR 103 Ca -0.08 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.62 3hfa h TYR 103 Cb 1.63 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 39.07 3hfa h TYR 103 CO 0.06 0.82 -0.04 0.00 -1.05 0.00 0.00 178.16 177.94 3hfa h ALA 104 N 1.03 0.10 -0.63 3.88 0.00 -1.28 0.17 119.26 122.52 3hfa h ALA 104 Ca 0.18 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3hfa h ALA 104 Cb 0.33 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hfa h ALA 104 CO 0.00 -0.49 0.32 0.37 0.00 0.00 0.00 179.25 179.46 3hfa h GLN 105 N -0.01 0.90 -0.01 0.00 4.15 -1.37 -0.02 115.11 118.75 3hfa h GLN 105 Ca 0.08 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3hfa h GLN 105 Cb 0.12 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 3hfa h GLN 105 CO -0.16 0.70 0.00 1.15 -1.93 0.00 0.00 178.83 178.59 3hfa h THR 106 N 0.87 1.20 -0.13 2.39 2.02 -0.68 -1.86 112.91 116.72 3hfa h THR 106 Ca 0.22 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 3hfa h THR 106 Cb 0.09 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3hfa h THR 106 CO -0.03 0.16 -0.29 -0.07 0.37 0.00 0.00 175.52 175.65 3hfa h LEU 107 N -0.24 0.24 -0.24 2.58 3.38 -0.63 -0.11 115.31 120.29 3hfa h LEU 107 Ca 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hfa h LEU 107 Cb 0.25 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hfa h LEU 107 CO 0.00 0.54 0.14 1.23 0.09 0.00 0.00 178.44 180.44 3hfa h GLY 108 N 1.03 0.33 0.89 0.83 0.00 -0.88 0.11 103.07 105.38 3hfa h GLY 108 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3hfa h GLY 108 CO 0.05 0.10 0.07 -0.84 0.00 0.00 0.00 176.54 175.92 3hfa h THR 109 N 0.29 1.16 -0.45 4.70 2.02 -0.90 -2.77 112.91 116.97 3hfa h THR 109 Ca 0.09 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.86 3hfa h THR 109 Cb -0.01 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3hfa h THR 109 CO -0.04 0.15 0.17 0.40 0.37 0.00 0.00 175.52 176.57 3hfa h ILE 110 N 0.14 0.88 -0.50 3.11 2.04 -0.89 -0.72 117.51 121.57 3hfa h ILE 110 Ca 0.06 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3hfa h ILE 110 Cb 0.17 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3hfa h ILE 110 CO -0.01 0.06 0.32 0.15 0.00 0.00 0.00 178.15 178.68 3hfa h PHE 111 N 0.35 0.63 0.00 1.37 3.57 -0.62 -1.41 116.94 120.84 3hfa h PHE 111 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3hfa h PHE 111 Cb 0.18 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3hfa h PHE 111 CO -0.14 0.41 -1.77 0.25 -2.23 0.00 0.00 178.31 174.83 3hfa n THR 112 N -4.45 0.15 0.00 4.41 -2.24 -1.04 -4.71 114.28 106.40 3hfa n THR 112 Ca 0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3hfa n THR 112 Cb 0.06 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3hfa n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfa n GLU 113 N -2.36 2.31 -1.02 -0.78 1.02 -0.30 -5.04 120.64 114.47 3hfa n GLU 113 Ca -0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.80 3hfa n GLU 113 Cb 0.57 -0.99 0.13 0.00 -0.02 0.00 0.00 31.44 31.13 3hfa n GLU 113 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hfa s GLN 114 N -1.96 1.50 0.26 3.49 2.00 -0.54 -4.93 119.66 119.48 3hfa s GLN 114 Ca 0.00 1.22 -0.02 0.00 -2.00 0.00 0.00 55.36 54.56 3hfa s GLN 114 Cb 0.00 -1.81 0.34 0.00 0.80 0.00 0.00 33.01 32.35 3hfa s GLN 114 CO 0.00 -2.19 1.78 0.00 -0.50 0.00 0.00 175.29 174.37 3hfa h ALA 115 N -1.53 1.13 -3.95 1.58 0.00 -1.96 -3.43 119.26 111.09 3hfa h ALA 115 Ca -0.45 -0.25 -0.37 0.00 0.00 0.00 0.00 54.91 53.84 3hfa h ALA 115 Cb 1.26 -0.20 -0.28 0.00 0.00 0.00 0.00 17.79 18.56 3hfa h ALA 115 CO 0.49 0.57 -0.77 0.21 0.00 0.00 0.00 179.25 179.74 3hfa s LYS 116 N -5.05 0.63 0.78 0.00 2.20 -1.26 -5.14 119.74 111.89 3hfa s LYS 116 Ca -0.10 -0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 3hfa s LYS 116 Cb 0.15 -0.60 0.07 0.00 -1.51 0.00 0.00 37.83 35.93 3hfa s LYS 116 CO 0.81 0.16 1.19 -2.14 -0.36 0.00 0.00 175.35 175.02 3hfa s PRO 117 N -0.26 1.85 -0.00 4.03 0.02 -1.26 -4.91 135.00 134.46 3hfa s PRO 117 Ca 0.02 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 3hfa s PRO 117 Cb -0.03 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 3hfa s PRO 117 CO -0.00 -2.05 1.15 0.71 -0.33 0.00 0.00 177.00 176.48 3hfa s TYR 118 N -2.15 3.39 -1.27 6.54 1.51 -1.26 -4.93 117.35 119.18 3hfa s TYR 118 Ca 0.72 1.35 -0.11 0.00 -1.01 0.00 0.00 57.07 58.03 3hfa s TYR 118 Cb -0.28 -3.36 0.16 0.00 -0.11 0.00 0.00 41.96 38.38 3hfa s TYR 118 CO 0.49 -1.02 1.80 0.39 -1.11 0.00 0.00 175.55 176.10 3hfa n GLU 119 N 4.44 3.54 -4.03 -0.62 1.02 -1.26 -4.78 120.64 118.94 3hfa n GLU 119 Ca 0.09 -3.56 -0.08 0.00 -0.02 0.00 0.00 57.16 53.60 3hfa n GLU 119 Cb 0.47 -2.97 -0.10 0.00 -0.02 0.00 0.00 31.44 28.82 3hfa n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hfa s VAL 120 N 0.78 0.18 -0.03 2.62 -7.23 -1.26 -1.40 120.40 114.06 3hfa s VAL 120 Ca 0.41 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 3hfa s VAL 120 Cb 0.07 -1.18 0.02 0.00 0.56 0.00 0.00 36.38 35.86 3hfa s VAL 120 CO 0.00 -0.83 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.25 3hfa s GLU 121 N -3.26 0.50 0.07 4.82 2.12 -0.56 -3.25 118.70 119.15 3hfa s GLU 121 Ca 0.01 0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.40 3hfa s GLU 121 Cb 0.03 -0.62 -0.04 0.00 0.26 0.00 0.00 34.13 33.76 3hfa s GLU 121 CO -0.08 -0.11 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.92 3hfa s LEU 122 N 0.98 3.03 -0.10 2.70 1.43 0.10 -1.46 118.68 125.35 3hfa s LEU 122 Ca -0.10 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3hfa s LEU 122 Cb -0.14 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3hfa s LEU 122 CO -0.01 0.22 -0.21 0.00 0.23 0.00 0.00 176.35 176.57 3hfa s VAL 124 N 0.50 3.44 0.09 0.00 1.01 -0.17 -1.50 120.40 123.77 3hfa s VAL 124 Ca -0.16 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.38 3hfa s VAL 124 Cb -0.17 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3hfa s VAL 124 CO 0.06 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 3hfa s ALA 125 N 0.47 1.74 -0.00 5.51 0.00 -0.87 -0.16 121.76 128.44 3hfa s ALA 125 Ca -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3hfa s ALA 125 Cb -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3hfa s ALA 125 CO 0.04 0.35 -0.02 -2.00 0.00 0.00 0.00 175.76 174.13 3hfa s GLU 126 N -1.76 0.15 0.39 0.00 2.12 -0.36 -0.53 118.70 118.72 3hfa s GLU 126 Ca 0.06 -0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.42 3hfa s GLU 126 Cb -0.10 -0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.07 3hfa s GLU 126 CO 0.04 0.02 0.12 0.14 -0.54 0.00 0.00 175.26 175.04 3hfa s VAL 127 N 0.05 2.37 0.75 3.70 -7.23 -0.76 -1.05 120.40 118.24 3hfa s VAL 127 Ca -0.00 -1.79 -0.14 0.00 -1.81 0.00 0.00 61.98 58.24 3hfa s VAL 127 Cb -0.02 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 34.01 3hfa s VAL 127 CO -0.00 -0.05 1.20 0.00 -0.31 0.00 0.00 175.10 175.94 3hfa s ALA 128 N -2.59 2.04 0.63 1.32 0.00 -1.26 -4.87 121.76 117.04 3hfa s ALA 128 Ca 0.39 0.85 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 3hfa s ALA 128 Cb 0.04 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3hfa s ALA 128 CO 0.21 -1.99 1.08 -1.01 0.00 0.00 0.00 175.76 174.05 3hfa s HIS 129 N -2.06 2.84 -0.07 0.00 3.76 -1.26 -4.80 115.29 113.70 3hfa s HIS 129 Ca 0.74 1.52 -0.38 0.00 -0.15 0.00 0.00 55.06 56.78 3hfa s HIS 129 Cb -0.29 -3.06 -0.17 0.00 1.11 0.00 0.00 32.58 30.18 3hfa s HIS 129 CO 0.47 -1.37 1.49 0.98 -0.85 0.00 0.00 174.74 175.46 3hfa n TYR 130 N -2.31 1.69 -1.00 1.40 9.36 -1.26 -1.04 117.16 123.99 3hfa n TYR 130 Ca 0.09 0.63 -0.00 0.00 3.32 0.00 0.00 57.90 61.94 3hfa n TYR 130 Cb 0.53 -2.37 -0.00 0.00 -0.63 0.00 0.00 39.34 36.87 3hfa n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hfa n GLY 131 N 3.14 0.46 3.75 2.98 0.00 -1.26 -5.03 105.19 109.24 3hfa n GLY 131 Ca 0.22 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3hfa n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hfa s GLU 132 N -0.24 2.71 -0.23 1.61 2.02 -0.21 -5.11 118.70 119.25 3hfa s GLU 132 Ca 0.00 -1.08 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 3hfa s GLU 132 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 3hfa s GLU 132 CO 0.00 0.43 0.01 0.95 0.02 0.00 0.00 175.26 176.67 3hfa s THR 133 N -1.99 3.86 -0.29 3.63 -4.23 -1.26 -4.75 115.64 110.61 3hfa s THR 133 Ca 0.31 -0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 60.35 3hfa s THR 133 Cb -0.08 -2.78 0.13 0.00 1.34 0.00 0.00 72.50 71.11 3hfa s THR 133 CO 0.22 0.38 0.82 -0.75 -0.54 0.00 0.00 174.62 174.75 3hfa s LYS 134 N 1.52 0.49 0.27 3.99 2.20 -1.26 -5.07 119.74 121.88 3hfa s LYS 134 Ca 0.06 1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 3hfa s LYS 134 Cb -0.15 0.41 -0.13 0.00 -1.51 0.00 0.00 37.83 36.45 3hfa s LYS 134 CO 0.00 -0.14 1.30 0.54 -0.36 0.00 0.00 175.35 176.69 3hfa n ARG 135 N 4.67 1.90 -1.31 4.03 1.74 -1.26 -4.23 116.66 122.20 3hfa n ARG 135 Ca -0.15 0.67 -0.35 0.00 -0.77 0.00 0.00 57.85 57.25 3hfa n ARG 135 Cb 0.54 -2.25 0.10 0.00 -1.02 0.00 0.00 32.46 29.83 3hfa n ARG 135 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hfa n PRO 136 N 1.39 0.46 -5.25 5.56 -0.02 -1.26 -4.80 135.00 131.08 3hfa n PRO 136 Ca 0.10 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 3hfa n PRO 136 Cb 0.32 -2.28 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 3hfa n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hfa s GLU 137 N -3.52 2.65 -0.11 -0.52 2.02 -0.21 -4.98 118.70 114.03 3hfa s GLU 137 Ca 0.73 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.87 3hfa s GLU 137 Cb -0.33 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.72 3hfa s GLU 137 CO 0.50 0.33 -0.23 -0.51 0.02 0.00 0.00 175.26 175.37 3hfa s LEU 138 N -0.04 2.07 -0.02 1.80 1.43 -1.22 -1.22 118.68 121.48 3hfa s LEU 138 Ca -0.07 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 3hfa s LEU 138 Cb -0.15 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3hfa s LEU 138 CO 0.05 0.13 -0.22 -0.31 0.23 0.00 0.00 176.35 176.23 3hfa s TYR 139 N 0.50 2.45 -0.16 0.29 2.02 0.77 -0.56 117.35 122.67 3hfa s TYR 139 Ca -0.15 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3hfa s TYR 139 Cb -0.17 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 3hfa s TYR 139 CO 0.05 0.06 -0.18 0.50 -1.57 0.00 0.00 175.55 174.41 3hfa s ARG 140 N -0.76 3.11 -0.17 -0.62 3.00 0.56 -1.00 118.95 123.07 3hfa s ARG 140 Ca 0.11 -0.80 -0.00 0.00 -1.00 0.00 0.00 55.73 54.04 3hfa s ARG 140 Cb -0.10 -2.56 -0.00 0.00 0.00 0.00 0.00 34.95 32.29 3hfa s ARG 140 CO 0.00 -0.04 -0.14 0.42 0.00 0.00 0.00 175.30 175.54 3hfa s ILE 141 N 0.92 2.73 0.61 4.11 1.09 0.01 -1.56 121.20 129.11 3hfa s ILE 141 Ca -0.04 -0.74 0.06 0.00 -1.10 0.00 0.00 60.65 58.83 3hfa s ILE 141 Cb -0.15 -2.17 0.09 0.00 -1.06 0.00 0.00 42.46 39.17 3hfa s ILE 141 CO -0.03 0.50 0.84 0.42 -0.10 0.00 0.00 174.94 176.58 3hfa s THR 142 N 0.99 2.23 0.61 2.92 -4.23 -0.52 -0.73 115.64 116.92 3hfa s THR 142 Ca -0.02 -0.84 0.35 0.00 -1.18 0.00 0.00 61.69 60.00 3hfa s THR 142 Cb -0.15 -2.39 0.39 0.00 1.34 0.00 0.00 72.50 71.69 3hfa s THR 142 CO -0.03 0.00 2.30 0.10 -0.54 0.00 0.00 174.62 176.45 3hfa h TYR 143 N -0.04 0.00 -0.39 3.99 -0.00 -1.85 -1.08 116.97 117.60 3hfa h TYR 143 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.40 3hfa h TYR 143 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 3hfa h TYR 143 CO 0.20 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 177.97 3hfa n ASP 144 N -3.58 3.35 0.00 0.10 5.75 -1.26 -4.51 116.55 116.39 3hfa n ASP 144 Ca -0.03 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3hfa n ASP 144 Cb 0.08 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 3hfa n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfa n GLY 145 N 1.49 0.71 3.76 6.12 0.00 -0.41 -4.10 105.19 112.76 3hfa n GLY 145 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3hfa n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hfa s SER 146 N -2.96 5.73 0.01 1.61 0.01 -1.26 -4.63 113.70 112.21 3hfa s SER 146 Ca 0.00 2.75 0.01 0.00 1.31 0.00 0.00 55.95 60.02 3hfa s SER 146 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3hfa s SER 146 CO 0.00 -1.26 -0.04 -0.51 0.41 0.00 0.00 173.24 171.84 3hfa s ILE 147 N -1.29 0.29 -0.12 1.44 2.07 -1.26 -1.44 121.20 120.89 3hfa s ILE 147 Ca 0.65 -0.50 -0.11 0.00 -1.41 0.00 0.00 60.65 59.28 3hfa s ILE 147 Cb -0.40 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 41.91 3hfa s ILE 147 CO 0.49 -0.15 0.32 0.00 -1.91 0.00 0.00 174.94 173.69 3hfa s ALA 148 N -0.64 -0.78 -0.12 1.50 0.00 -0.60 -4.99 121.76 116.11 3hfa s ALA 148 Ca -0.05 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 3hfa s ALA 148 Cb -0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3hfa s ALA 148 CO -0.00 -0.16 0.19 0.16 0.00 0.00 0.00 175.76 175.95 3hfa s ASP 149 N 0.27 6.41 0.01 0.00 1.47 -1.26 -0.32 116.67 123.25 3hfa s ASP 149 Ca -0.01 0.49 0.05 0.00 1.18 0.00 0.00 52.55 54.27 3hfa s ASP 149 Cb -0.03 -2.11 -0.03 0.00 -0.34 0.00 0.00 42.92 40.41 3hfa s ASP 149 CO -0.01 0.33 -0.14 -1.61 0.68 0.00 0.00 175.17 174.42 3hfa s GLU 150 N -0.65 2.29 0.04 2.11 0.41 0.27 -4.99 118.70 118.18 3hfa s GLU 150 Ca 0.15 -0.86 -0.15 0.00 -0.41 0.00 0.00 54.97 53.70 3hfa s GLU 150 Cb -0.12 -2.31 -0.31 0.00 -1.78 0.00 0.00 34.13 29.61 3hfa s GLU 150 CO 0.04 0.57 1.07 -1.35 -0.49 0.00 0.00 175.26 175.10 3hfa h PRO 151 N 4.69 0.60 0.00 0.39 0.11 -1.95 -3.24 132.00 132.60 3hfa h PRO 151 Ca -0.48 -0.85 0.00 0.00 0.11 0.00 0.00 66.00 64.78 3hfa h PRO 151 Cb 1.16 0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.56 3hfa h PRO 151 CO 0.50 1.39 -0.97 0.72 -0.21 0.00 0.00 178.00 179.43 3hfa n HIS 152 N -3.79 0.00 -3.65 0.65 8.25 -1.26 -4.83 115.22 110.59 3hfa n HIS 152 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 3hfa n HIS 152 Cb 1.01 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 32.09 3hfa n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hfa s PHE 153 N -1.98 -0.23 -0.02 4.41 -0.12 -1.26 -1.29 117.98 117.48 3hfa s PHE 153 Ca 0.00 -0.09 0.01 0.00 -0.05 0.00 0.00 56.93 56.81 3hfa s PHE 153 Cb 0.00 0.40 0.01 0.00 -0.63 0.00 0.00 43.02 42.80 3hfa s PHE 153 CO 0.00 -0.86 -0.05 0.08 -0.05 0.00 0.00 175.22 174.34 3hfa s VAL 154 N -3.83 0.49 -0.08 -2.49 1.01 -0.09 -4.87 120.40 110.54 3hfa s VAL 154 Ca 0.06 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3hfa s VAL 154 Cb -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 3hfa s VAL 154 CO -0.07 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.30 3hfa s VAL 155 N 0.40 1.88 0.01 2.92 1.01 -1.26 -1.01 120.40 124.35 3hfa s VAL 155 Ca -0.05 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3hfa s VAL 155 Cb -0.09 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3hfa s VAL 155 CO -0.00 0.52 -0.03 -0.04 0.00 0.00 0.00 175.10 175.55 3hfa s MET 156 N 0.22 0.26 0.00 2.72 -1.94 0.04 -5.00 119.30 115.60 3hfa s MET 156 Ca -0.13 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 3hfa s MET 156 Cb -0.16 -0.08 0.00 0.00 2.01 0.00 0.00 34.83 36.60 3hfa s MET 156 CO 0.06 0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 3hfa n GLY 157 N 2.29 -1.21 7.00 -0.03 0.00 -1.26 -0.51 105.19 111.47 3hfa n GLY 157 Ca -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3hfa n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 158 N -0.37 1.00 3.50 -0.02 0.00 -0.33 -4.21 105.19 104.75 3hfa n GLY 158 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3hfa n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hfa s THR 159 N 0.00 4.44 -0.15 2.61 -1.32 -1.26 -4.55 115.64 115.41 3hfa s THR 159 Ca 0.00 0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.68 3hfa s THR 159 Cb 0.00 -4.54 -0.03 0.00 -1.51 0.00 0.00 72.50 66.43 3hfa s THR 159 CO 0.00 -1.15 1.14 0.71 -2.21 0.00 0.00 174.62 173.11 3hfa h THR 160 N 5.99 0.61 0.11 5.08 1.35 -1.96 -3.39 112.91 120.70 3hfa h THR 160 Ca -0.27 -2.00 0.02 0.00 -0.55 0.00 0.00 66.41 63.62 3hfa h THR 160 Cb 1.08 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 69.62 3hfa h THR 160 CO 1.09 0.35 -0.40 -0.08 -0.25 0.00 0.00 175.52 176.24 3hfa h GLU 161 N 0.00 -0.60 -0.98 4.72 4.57 -1.95 0.25 114.58 120.58 3hfa h GLU 161 Ca -0.07 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3hfa h GLU 161 Cb 1.44 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 30.11 3hfa h GLU 161 CO 0.05 -0.40 0.64 -1.35 -1.18 0.00 0.00 179.01 176.77 3hfa h PRO 162 N -0.62 1.24 -0.22 0.92 0.11 -1.83 0.08 132.00 131.67 3hfa h PRO 162 Ca 0.03 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3hfa h PRO 162 Cb 0.66 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3hfa h PRO 162 CO -0.24 0.82 0.00 0.82 -0.21 0.00 0.00 178.00 179.20 3hfa h ILE 163 N 1.27 1.25 -0.78 4.15 2.04 -1.56 -0.63 117.51 123.26 3hfa h ILE 163 Ca 0.38 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3hfa h ILE 163 Cb -0.06 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3hfa h ILE 163 CO -0.10 0.27 0.30 0.00 0.00 0.00 0.00 178.15 178.62 3hfa h ALA 164 N 0.80 1.01 -0.08 1.87 0.00 -0.17 -1.38 119.26 121.32 3hfa h ALA 164 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hfa h ALA 164 Cb 0.40 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hfa h ALA 164 CO 0.01 0.64 0.04 -0.91 0.00 0.00 0.00 179.25 179.03 3hfa h ASN 165 N 1.13 0.10 -0.68 0.00 2.35 -0.89 0.17 115.58 117.77 3hfa h ASN 165 Ca 0.26 -0.10 0.10 0.00 -0.55 0.00 0.00 56.30 56.01 3hfa h ASN 165 Cb 0.23 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.50 3hfa h ASN 165 CO -0.02 0.17 0.29 0.00 -1.65 0.00 0.00 177.43 176.22 3hfa h ALA 166 N 0.93 0.92 0.05 -0.83 0.00 -0.93 -0.87 119.26 118.53 3hfa h ALA 166 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 166 Cb 0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 166 CO -0.00 -0.14 -0.02 -0.07 0.00 0.00 0.00 179.25 179.01 3hfa h LEU 167 N 0.48 -0.05 -1.90 0.00 -0.00 -1.05 -0.92 115.31 111.87 3hfa h LEU 167 Ca 0.35 -0.19 0.14 0.00 -0.00 0.00 0.00 57.88 58.17 3hfa h LEU 167 Cb 0.43 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 3hfa h LEU 167 CO -0.32 0.16 0.52 0.50 -0.00 0.00 0.00 178.44 179.30 3hfa h LYS 168 N -0.27 0.00 0.00 1.13 3.64 -0.03 0.56 116.57 121.60 3hfa h LYS 168 Ca -0.01 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3hfa h LYS 168 Cb 0.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3hfa h LYS 168 CO 0.01 0.00 -0.68 1.49 -2.27 0.00 0.00 179.45 178.00 3hfa h GLU 169 N 0.00 0.00 -0.02 1.90 4.57 -0.85 -3.40 114.58 116.78 3hfa h GLU 169 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3hfa h GLU 169 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3hfa h GLU 169 CO -0.00 0.48 -0.18 -1.13 -1.18 0.00 0.00 179.01 176.99 3hfa n SER 170 N -4.57 1.90 -4.72 1.04 3.41 -0.38 -4.96 113.62 105.33 3hfa n SER 170 Ca -0.16 -1.48 -0.42 0.00 -0.26 0.00 0.00 58.87 56.55 3hfa n SER 170 Cb 0.41 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3hfa n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hfa s TYR 171 N -2.24 3.34 -0.08 7.33 5.04 0.19 -5.02 117.35 125.92 3hfa s TYR 171 Ca 0.27 1.22 0.03 0.00 -2.44 0.00 0.00 57.07 56.15 3hfa s TYR 171 Cb 0.20 -3.53 0.01 0.00 0.35 0.00 0.00 41.96 38.98 3hfa s TYR 171 CO 0.43 -1.69 -0.17 0.00 -1.34 0.00 0.00 175.55 172.78 3hfa s ALA 172 N 0.62 1.63 0.64 3.97 0.00 -1.26 -5.00 121.76 122.36 3hfa s ALA 172 Ca 0.59 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 3hfa s ALA 172 Cb -0.34 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 3hfa s ALA 172 CO 0.33 0.20 1.26 -2.00 0.00 0.00 0.00 175.76 175.55 3hfa s GLU 173 N 0.46 2.64 -1.64 0.00 2.12 -1.26 -3.32 118.70 117.72 3hfa s GLU 173 Ca -0.15 1.96 -0.17 0.00 0.36 0.00 0.00 54.97 56.97 3hfa s GLU 173 Cb -0.16 -1.87 0.13 0.00 0.26 0.00 0.00 34.13 32.49 3hfa s GLU 173 CO 0.05 -1.50 0.87 0.09 -0.54 0.00 0.00 175.26 174.24 3hfa n ASN 174 N -1.89 -3.96 -4.82 -1.70 4.13 -1.26 -4.93 115.26 100.84 3hfa n ASN 174 Ca 0.15 -0.91 -0.32 0.00 1.68 0.00 0.00 54.58 55.18 3hfa n ASN 174 Cb 0.49 -3.23 0.03 0.00 -1.54 0.00 0.00 39.78 35.53 3hfa n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hfa s ALA 175 N -3.29 2.74 0.77 5.41 0.00 -1.21 -4.12 121.76 122.06 3hfa s ALA 175 Ca 0.71 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 3hfa s ALA 175 Cb -0.38 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.61 3hfa s ALA 175 CO 0.89 -1.02 1.08 -1.54 0.00 0.00 0.00 175.76 175.17 3hfa s SER 176 N -3.49 4.69 0.19 0.00 1.04 -1.26 -1.98 113.70 112.89 3hfa s SER 176 Ca 0.59 1.54 -0.12 0.00 0.48 0.00 0.00 55.95 58.44 3hfa s SER 176 Cb -0.14 -2.31 0.11 0.00 0.10 0.00 0.00 66.02 63.77 3hfa s SER 176 CO 0.48 -1.87 1.85 0.25 0.98 0.00 0.00 173.24 174.94 3hfa h LEU 177 N -1.02 0.74 -0.55 2.42 5.85 -1.98 0.73 115.31 121.51 3hfa h LEU 177 Ca -0.45 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 3hfa h LEU 177 Cb 1.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3hfa h LEU 177 CO 0.56 0.55 0.10 0.74 -0.34 0.00 0.00 178.44 180.05 3hfa h THR 178 N 0.87 1.25 -0.28 1.05 2.02 -1.93 -0.71 112.91 115.18 3hfa h THR 178 Ca 0.23 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 3hfa h THR 178 Cb -0.09 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3hfa h THR 178 CO -0.05 0.34 -0.06 0.44 0.37 0.00 0.00 175.52 176.56 3hfa h ASP 179 N 0.79 0.54 -0.41 4.18 3.32 -1.87 -1.92 116.42 121.06 3hfa h ASP 179 Ca 0.17 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.88 3hfa h ASP 179 Cb 0.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3hfa h ASP 179 CO 0.01 0.78 0.24 0.00 -1.72 0.00 0.00 179.24 178.54 3hfa h ALA 180 N 0.79 0.52 -0.41 3.45 0.00 -0.80 -0.35 119.26 122.46 3hfa h ALA 180 Ca 0.07 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hfa h ALA 180 Cb 0.53 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3hfa h ALA 180 CO 0.03 -0.10 0.18 1.25 0.00 0.00 0.00 179.25 180.60 3hfa h LEU 181 N 0.48 0.23 -0.19 0.00 5.85 -1.04 -0.15 115.31 120.49 3hfa h LEU 181 Ca 0.16 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3hfa h LEU 181 Cb 0.02 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3hfa h LEU 181 CO -0.08 0.17 0.03 -0.09 -0.34 0.00 0.00 178.44 178.13 3hfa h ARG 182 N 0.36 0.31 -0.56 1.25 2.43 -0.95 0.78 114.38 118.01 3hfa h ARG 182 Ca 0.18 -0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.38 3hfa h ARG 182 Cb 0.13 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 3hfa h ARG 182 CO -0.16 0.47 0.05 0.82 -1.51 0.00 0.00 179.97 179.64 3hfa h ILE 183 N 0.11 0.60 0.11 1.20 2.04 -0.86 -0.88 117.51 119.83 3hfa h ILE 183 Ca 0.06 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hfa h ILE 183 Cb 0.31 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3hfa h ILE 183 CO 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 178.15 178.13 3hfa h ALA 184 N 1.48 -0.15 -0.99 1.87 0.00 -0.64 -0.57 119.26 120.25 3hfa h ALA 184 Ca 0.29 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 184 Cb 0.44 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3hfa h ALA 184 CO -0.43 -0.44 0.65 0.28 0.00 0.00 0.00 179.25 179.31 3hfa h VAL 185 N -0.44 1.19 0.09 0.00 2.07 -0.70 -0.42 116.25 118.04 3hfa h VAL 185 Ca -0.02 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hfa h VAL 185 Cb 0.36 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3hfa h VAL 185 CO 0.03 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.80 3hfa h ALA 186 N 1.42 -0.13 -0.89 1.67 0.00 -1.09 -2.22 119.26 118.03 3hfa h ALA 186 Ca 0.39 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.31 3hfa h ALA 186 Cb -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3hfa h ALA 186 CO -0.11 -0.45 0.57 0.00 0.00 0.00 0.00 179.25 179.26 3hfa h ALA 187 N 0.50 1.85 -0.50 0.00 0.00 -0.63 -0.23 119.26 120.26 3hfa h ALA 187 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hfa h ALA 187 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hfa h ALA 187 CO 0.02 -0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.42 3hfa h LEU 188 N 0.68 0.81 -0.31 0.00 5.85 -0.86 -3.16 115.31 118.33 3hfa h LEU 188 Ca 0.45 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 59.00 3hfa h LEU 188 Cb 0.74 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3hfa h LEU 188 CO -0.21 0.89 0.08 0.03 -0.34 0.00 0.00 178.44 178.89 3hfa h ARG 189 N 0.78 0.20 0.00 1.25 3.08 -0.41 -3.48 114.38 115.80 3hfa h ARG 189 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hfa h ARG 189 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3hfa h ARG 189 CO 0.02 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 3hfa n ALA 190 N -2.34 0.13 0.00 0.04 0.00 -1.19 -5.09 120.51 112.07 3hfa n ALA 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hfa n ALA 190 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3hfa n ALA 190 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hfa n LEU 203 N 0.01 0.00 0.00 0.00 4.32 -1.26 -4.14 117.00 115.92 3hfa n LEU 203 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.83 3hfa n LEU 203 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3hfa n LEU 203 CO 0.00 0.00 0.06 0.61 -1.22 0.00 0.00 177.39 176.84 3hfa n GLY 204 N -1.11 2.80 0.40 -0.72 0.00 -1.26 -4.97 105.19 100.32 3hfa n GLY 204 Ca 0.00 -2.25 0.20 0.00 0.00 0.00 0.00 46.02 43.97 3hfa n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hfa h VAL 205 N 0.57 0.69 0.00 1.61 2.07 -1.95 -1.58 116.25 117.66 3hfa h VAL 205 Ca -0.22 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3hfa h VAL 205 Cb 0.80 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3hfa h VAL 205 CO 0.34 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.97 3hfa h ALA 206 N 1.63 1.00 0.00 1.67 0.00 -1.94 -3.16 119.26 118.46 3hfa h ALA 206 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hfa h ALA 206 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hfa h ALA 206 CO -0.10 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3hfa n SER 207 N -2.49 1.86 -4.33 0.00 3.41 -0.63 -4.52 113.62 106.92 3hfa n SER 207 Ca 0.03 -1.91 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 3hfa n SER 207 Cb 0.32 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 3hfa n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 208 N -0.91 2.12 -0.21 1.04 1.43 -1.01 -0.62 118.68 120.53 3hfa s LEU 208 Ca 0.00 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 3hfa s LEU 208 Cb 0.00 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 3hfa s LEU 208 CO 0.00 0.28 -0.05 -0.70 0.23 0.00 0.00 176.35 176.11 3hfa s GLU 209 N -1.00 3.41 -0.01 1.70 2.12 -0.22 -4.78 118.70 119.92 3hfa s GLU 209 Ca 0.11 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.87 3hfa s GLU 209 Cb -0.10 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 3hfa s GLU 209 CO 0.01 -0.13 -0.15 0.08 -0.54 0.00 0.00 175.26 174.53 3hfa s VAL 210 N 1.30 1.19 0.16 3.70 1.01 -1.26 -1.49 120.40 125.00 3hfa s VAL 210 Ca 0.04 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 3hfa s VAL 210 Cb -0.14 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.30 3hfa s VAL 210 CO -0.02 0.34 0.53 0.00 0.00 0.00 0.00 175.10 175.95 3hfa s ALA 211 N -0.34 -1.30 0.03 5.51 0.00 -0.92 -1.11 121.76 123.63 3hfa s ALA 211 Ca 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 3hfa s ALA 211 Cb -0.06 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 3hfa s ALA 211 CO -0.01 -0.74 0.00 0.14 0.00 0.00 0.00 175.76 175.15 3hfa s VAL 212 N -3.79 0.14 -0.42 0.00 -7.23 -0.22 -0.45 120.40 108.44 3hfa s VAL 212 Ca 0.03 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 58.89 3hfa s VAL 212 Cb -0.00 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.28 3hfa s VAL 212 CO -0.11 -0.63 0.40 -0.76 -0.31 0.00 0.00 175.10 173.70 3hfa s LEU 213 N -1.91 4.90 -0.34 1.32 1.43 -0.15 -1.45 118.68 122.48 3hfa s LEU 213 Ca -0.09 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.15 3hfa s LEU 213 Cb -0.04 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3hfa s LEU 213 CO -0.04 -0.54 0.43 -0.62 0.23 0.00 0.00 176.35 175.81 3hfa s ASP 214 N 1.78 6.25 0.26 2.29 -1.08 0.33 -3.29 116.67 123.21 3hfa s ASP 214 Ca 0.11 -0.07 -0.03 0.00 -0.52 0.00 0.00 52.55 52.04 3hfa s ASP 214 Cb -0.17 -2.23 0.32 0.00 -1.46 0.00 0.00 42.92 39.38 3hfa s ASP 214 CO 0.13 -0.38 1.77 0.00 0.52 0.00 0.00 175.17 177.21 3hfa h ALA 215 N 8.42 1.11 -0.20 3.66 0.00 -1.69 -3.13 119.26 127.43 3hfa h ALA 215 Ca -0.29 -0.24 -0.46 0.00 0.00 0.00 0.00 54.91 53.92 3hfa h ALA 215 Cb 1.14 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 3hfa h ALA 215 CO 0.72 0.58 1.31 -1.71 0.00 0.00 0.00 179.25 180.14 3hfa n ASN 216 N -4.23 6.84 -3.97 0.00 5.15 -1.26 -4.39 115.26 113.39 3hfa n ASN 216 Ca 0.03 -2.75 -0.21 0.00 -0.60 0.00 0.00 54.58 51.06 3hfa n ASN 216 Cb 0.27 -1.41 -0.16 0.00 -0.53 0.00 0.00 39.78 37.95 3hfa n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hfa s ARG 217 N 0.46 1.02 0.13 1.20 1.81 -1.18 -5.07 118.95 117.31 3hfa s ARG 217 Ca 0.64 -0.26 -0.17 0.00 -1.72 0.00 0.00 55.73 54.22 3hfa s ARG 217 Cb 0.28 -0.94 -0.02 0.00 -0.45 0.00 0.00 34.95 33.81 3hfa s ARG 217 CO -0.07 0.05 1.70 -1.00 -0.68 0.00 0.00 175.30 175.29 3hfa h PRO 218 N 6.67 0.51 0.00 3.54 0.13 -1.90 -3.38 132.00 137.57 3hfa h PRO 218 Ca -0.34 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3hfa h PRO 218 Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hfa h PRO 218 CO 0.48 0.47 0.00 -2.13 -0.23 0.00 0.00 178.00 176.59 3hfa n ARG 219 N -4.73 0.00 -3.18 0.86 0.63 -1.26 -4.39 116.66 104.59 3hfa n ARG 219 Ca -0.01 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.51 3hfa n ARG 219 Cb 0.11 -0.33 -0.07 0.00 0.45 0.00 0.00 32.46 32.62 3hfa n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hfa s ARG 220 N -1.95 3.74 0.22 -0.14 0.52 -1.26 -4.37 118.95 115.71 3hfa s ARG 220 Ca 0.00 0.04 0.22 0.00 -0.52 0.00 0.00 55.73 55.47 3hfa s ARG 220 Cb 0.00 -3.78 0.03 0.00 0.52 0.00 0.00 34.95 31.73 3hfa s ARG 220 CO 0.00 -0.63 1.11 0.00 0.02 0.00 0.00 175.30 175.80 3hfa h ALA 221 N 8.37 0.60 -2.37 2.13 0.00 -1.09 -3.46 119.26 123.44 3hfa h ALA 221 Ca -0.27 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 53.96 3hfa h ALA 221 Cb 1.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hfa h ALA 221 CO 0.79 0.15 0.69 0.12 0.00 0.00 0.00 179.25 181.00 3hfa s PHE 222 N -3.27 3.20 -0.12 0.00 5.36 -1.26 0.12 117.98 122.02 3hfa s PHE 222 Ca 0.00 1.17 -0.08 0.00 -0.96 0.00 0.00 56.93 57.06 3hfa s PHE 222 Cb 0.09 -3.47 0.04 0.00 -0.34 0.00 0.00 43.02 39.34 3hfa s PHE 222 CO 0.77 -1.51 0.29 -0.98 -1.46 0.00 0.00 175.22 172.33 3hfa s ARG 223 N 1.93 0.29 0.37 10.12 1.70 -0.53 -4.94 118.95 127.90 3hfa s ARG 223 Ca 0.58 0.52 -0.19 0.00 -0.47 0.00 0.00 55.73 56.16 3hfa s ARG 223 Cb -0.27 0.02 -0.10 0.00 -0.57 0.00 0.00 34.95 34.02 3hfa s ARG 223 CO 0.25 -0.11 0.87 1.03 -1.08 0.00 0.00 175.30 176.25 3hfa s ARG 224 N 0.81 4.19 -0.27 3.89 0.52 -1.26 -1.06 118.95 125.76 3hfa s ARG 224 Ca -0.05 0.98 0.01 0.00 -0.52 0.00 0.00 55.73 56.15 3hfa s ARG 224 Cb -0.06 -2.36 0.06 0.00 0.52 0.00 0.00 34.95 33.10 3hfa s ARG 224 CO -0.05 0.08 -0.08 0.42 0.02 0.00 0.00 175.30 175.69 3hfa s ILE 225 N -2.03 2.43 0.24 1.52 1.01 -0.26 -4.94 121.20 119.17 3hfa s ILE 225 Ca 0.57 -1.55 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3hfa s ILE 225 Cb -0.11 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 3hfa s ILE 225 CO 0.16 -0.05 0.04 0.42 0.00 0.00 0.00 174.94 175.51 3hfa s THR 226 N 1.15 0.82 0.00 2.92 -4.23 -1.26 -4.26 115.64 110.77 3hfa s THR 226 Ca -0.08 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3hfa s THR 226 Cb -0.20 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3hfa s THR 226 CO -0.04 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3hfa n GLY 227 N -0.43 3.16 0.32 3.99 0.00 -1.26 -2.47 105.19 108.50 3hfa n GLY 227 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3hfa n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 228 N 0.00 0.73 -0.58 1.61 4.64 -1.99 -2.12 113.55 115.83 3hfa h SER 228 Ca 0.00 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3hfa h SER 228 Cb 0.00 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 3hfa h SER 228 CO 0.00 0.41 0.22 0.00 -0.87 0.00 0.00 176.83 176.59 3hfa h ALA 229 N 1.47 0.76 -0.71 5.18 0.00 -1.88 -0.52 119.26 123.55 3hfa h ALA 229 Ca 0.41 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3hfa h ALA 229 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hfa h ALA 229 CO -0.25 0.39 0.23 1.25 0.00 0.00 0.00 179.25 180.87 3hfa h LEU 230 N 0.81 1.02 -0.70 0.00 5.85 -1.37 -0.74 115.31 120.17 3hfa h LEU 230 Ca 0.19 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3hfa h LEU 230 Cb 0.23 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3hfa h LEU 230 CO -0.01 0.96 0.33 -0.61 -0.34 0.00 0.00 178.44 178.76 3hfa h GLN 231 N 1.04 1.02 -0.60 1.25 5.75 -1.09 -0.56 115.11 121.91 3hfa h GLN 231 Ca 0.23 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3hfa h GLN 231 Cb 0.29 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3hfa h GLN 231 CO -0.01 0.81 0.27 0.00 -2.65 0.00 0.00 178.83 177.25 3hfa h ALA 232 N 1.16 0.78 -0.75 3.38 0.00 -0.59 -2.46 119.26 120.78 3hfa h ALA 232 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 232 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hfa h ALA 232 CO -0.03 0.37 0.29 -0.07 0.00 0.00 0.00 179.25 179.81 3hfa h LEU 233 N 0.83 1.03 0.00 0.00 3.38 -0.66 -3.52 115.31 116.38 3hfa h LEU 233 Ca 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hfa h LEU 233 Cb 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hfa h LEU 233 CO -0.02 0.91 0.00 0.18 0.09 0.00 0.00 178.44 179.60