#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 0.22 -0.01 3.17 4.57 -2.05 0.84 114.58 121.32 3hfa h GLU 10 Ca 0.00 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 3hfa h GLU 10 Cb 0.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3hfa h GLU 10 CO 0.00 0.15 -0.76 0.37 -1.18 0.00 0.00 179.01 177.59 3hfa h GLN 11 N 0.23 0.12 0.39 1.92 4.15 -2.05 -2.45 115.11 117.43 3hfa h GLN 11 Ca 0.42 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3hfa h GLN 11 Cb 0.73 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 3hfa h GLN 11 CO -0.54 0.82 -0.37 0.00 -1.93 0.00 0.00 178.83 176.81 3hfa h ALA 12 N 1.14 -1.06 0.00 3.38 0.00 -1.29 0.69 119.26 122.11 3hfa h ALA 12 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hfa h ALA 12 Cb 1.34 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 3hfa h ALA 12 CO 0.11 -1.08 -0.07 0.52 0.00 0.00 0.00 179.25 178.73 3hfa h MET 13 N -0.76 0.00 -0.44 0.00 2.86 -1.47 0.14 114.93 115.26 3hfa h MET 13 Ca -0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3hfa h MET 13 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3hfa h MET 13 CO -0.03 0.07 0.15 -0.09 1.06 0.00 0.00 176.91 178.06 3hfa h ARG 14 N 0.00 0.68 -0.24 1.72 2.43 -0.86 -0.63 114.38 117.47 3hfa h ARG 14 Ca -0.00 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 58.85 3hfa h ARG 14 Cb 0.13 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3hfa h ARG 14 CO 0.01 0.65 -0.55 0.93 -1.51 0.00 0.00 179.97 179.50 3hfa h GLU 15 N 0.57 0.74 -0.79 0.20 5.08 0.17 -2.17 114.58 118.38 3hfa h GLU 15 Ca 0.14 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 3hfa h GLU 15 Cb 0.24 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3hfa h GLU 15 CO -0.01 1.09 0.30 0.00 -1.00 0.00 0.00 179.01 179.40 3hfa h ARG 16 N 0.56 1.19 -0.21 2.33 3.08 -0.88 -1.11 114.38 119.34 3hfa h ARG 16 Ca 0.01 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 3hfa h ARG 16 Cb 1.13 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3hfa h ARG 16 CO 0.11 0.97 -0.30 1.03 -1.07 0.00 0.00 179.97 180.72 3hfa h SER 17 N 1.16 0.43 -0.06 7.04 0.87 -1.01 -2.56 113.55 119.42 3hfa h SER 17 Ca 0.26 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3hfa h SER 17 Cb 0.24 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3hfa h SER 17 CO -0.02 0.71 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.88 3hfa h GLU 18 N 0.37 0.12 -0.50 2.24 4.57 -0.93 -1.72 114.58 118.71 3hfa h GLU 18 Ca 0.05 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 3hfa h GLU 18 Cb 0.71 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.24 3hfa h GLU 18 CO 0.05 0.50 0.16 1.25 -1.18 0.00 0.00 179.01 179.80 3hfa h LEU 19 N -0.27 0.14 -0.20 1.64 6.46 -1.14 -0.10 115.31 121.83 3hfa h LEU 19 Ca 0.01 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 3hfa h LEU 19 Cb 0.47 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 3hfa h LEU 19 CO 0.01 0.10 -0.12 0.00 -0.62 0.00 0.00 178.44 177.81 3hfa h ALA 20 N 1.35 0.29 -0.58 1.25 0.00 -1.47 -1.88 119.26 118.21 3hfa h ALA 20 Ca 0.25 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 20 Cb 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3hfa h ALA 20 CO -0.27 0.14 0.30 -0.09 0.00 0.00 0.00 179.25 179.34 3hfa h ARG 21 N 0.13 0.55 -0.35 0.00 2.43 -1.03 -1.19 114.38 114.92 3hfa h ARG 21 Ca 0.04 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3hfa h ARG 21 Cb 0.63 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hfa h ARG 21 CO 0.03 0.37 0.09 0.87 -1.51 0.00 0.00 179.97 179.82 3hfa h LYS 22 N 0.57 0.56 -0.47 0.20 1.57 -0.92 -0.51 116.57 117.56 3hfa h LYS 22 Ca 0.26 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3hfa h LYS 22 Cb 0.18 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3hfa h LYS 22 CO -0.18 0.60 0.26 0.78 -0.57 0.00 0.00 179.45 180.34 3hfa h GLY 23 N 0.41 0.66 0.91 3.86 0.00 -0.93 -1.63 103.07 106.35 3hfa h GLY 23 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3hfa h GLY 23 CO 0.00 0.14 0.02 -2.22 0.00 0.00 0.00 176.54 174.48 3hfa h ILE 24 N 0.51 1.25 0.00 2.60 2.04 -1.10 -2.50 117.51 120.30 3hfa h ILE 24 Ca 0.20 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3hfa h ILE 24 Cb 0.07 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3hfa h ILE 24 CO -0.12 0.31 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 3hfa h ALA 25 N 0.88 1.13 -0.00 1.87 0.00 -0.81 -0.48 119.26 121.84 3hfa h ALA 25 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 25 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hfa h ALA 25 CO 0.01 0.01 -0.42 -2.13 0.00 0.00 0.00 179.25 176.73 3hfa n ARG 26 N -3.28 0.36 -2.54 0.00 0.63 -0.64 -3.82 116.66 107.38 3hfa n ARG 26 Ca -0.03 -0.22 -0.22 0.00 -0.92 0.00 0.00 57.85 56.47 3hfa n ARG 26 Cb 0.11 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.57 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 -2.79 3.72 0.60 5.13 0.00 -0.33 -4.89 121.76 123.19 3hfa s ALA 27 Ca 0.16 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 3hfa s ALA 27 Cb 0.18 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3hfa s ALA 27 CO 0.63 -0.92 1.03 0.15 0.00 0.00 0.00 175.76 176.65 3hfa s LYS 28 N -4.90 3.53 0.28 0.00 1.02 -1.26 -1.78 119.74 116.63 3hfa s LYS 28 Ca 0.59 0.94 -0.02 0.00 0.02 0.00 0.00 55.97 57.50 3hfa s LYS 28 Cb -0.10 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 3hfa s LYS 28 CO 0.40 -0.62 0.50 -1.12 -0.92 0.00 0.00 175.35 173.59 3hfa s SER 29 N -3.48 6.39 -0.03 2.83 0.01 -1.26 -4.30 113.70 113.86 3hfa s SER 29 Ca 0.58 0.56 -0.04 0.00 1.31 0.00 0.00 55.95 58.36 3hfa s SER 29 Cb -0.12 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.04 3hfa s SER 29 CO 0.44 -0.17 0.09 -0.69 0.41 0.00 0.00 173.24 173.32 3hfa s VAL 30 N -2.08 0.02 0.06 3.43 1.01 0.42 -1.58 120.40 121.69 3hfa s VAL 30 Ca 0.41 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.24 3hfa s VAL 30 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3hfa s VAL 30 CO 0.31 -0.11 -0.14 0.68 0.00 0.00 0.00 175.10 175.84 3hfa s VAL 31 N -0.32 1.11 -0.06 2.92 -7.23 -0.00 -0.85 120.40 115.97 3hfa s VAL 31 Ca -0.04 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 3hfa s VAL 31 Cb -0.03 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.87 3hfa s VAL 31 CO 0.00 -0.17 -0.12 0.00 -0.31 0.00 0.00 175.10 174.51 3hfa s ALA 32 N -1.16 1.23 0.06 1.32 0.00 -0.17 -1.38 121.76 121.65 3hfa s ALA 32 Ca -0.01 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.60 3hfa s ALA 32 Cb -0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3hfa s ALA 32 CO 0.02 0.12 -0.15 -0.51 0.00 0.00 0.00 175.76 175.24 3hfa s LEU 33 N 0.64 2.24 -0.15 0.00 1.02 -0.20 -0.97 118.68 121.27 3hfa s LEU 33 Ca -0.14 -0.56 -0.15 0.00 0.02 0.00 0.00 54.13 53.30 3hfa s LEU 33 Cb -0.15 -0.59 -0.05 0.00 0.02 0.00 0.00 46.19 45.42 3hfa s LEU 33 CO 0.03 -0.02 0.34 0.00 0.02 0.00 0.00 176.35 176.73 3hfa s ALA 34 N -1.10 3.56 0.28 4.21 0.00 -0.75 -0.14 121.76 127.82 3hfa s ALA 34 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.60 3hfa s ALA 34 Cb -0.09 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 3hfa s ALA 34 CO 0.02 0.06 0.11 1.52 0.00 0.00 0.00 175.76 177.48 3hfa s TYR 35 N 0.52 1.59 0.28 0.00 -0.85 0.74 -4.33 117.35 115.30 3hfa s TYR 35 Ca 0.19 -1.22 -0.02 0.00 -0.52 0.00 0.00 57.07 55.50 3hfa s TYR 35 Cb -0.14 -0.93 0.42 0.00 0.38 0.00 0.00 41.96 41.70 3hfa s TYR 35 CO 0.06 -0.36 1.91 0.00 -1.52 0.00 0.00 175.55 175.63 3hfa h ALA 36 N 2.29 1.41 -0.61 9.51 0.00 -1.62 -2.03 119.26 128.21 3hfa h ALA 36 Ca -0.37 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3hfa h ALA 36 Cb 1.25 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3hfa h ALA 36 CO 0.59 0.47 0.11 0.78 0.00 0.00 0.00 179.25 181.20 3hfa h GLY 37 N 1.17 1.05 0.00 0.00 0.00 -1.92 -3.48 103.07 99.88 3hfa h GLY 37 Ca 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3hfa h GLY 37 CO -0.14 0.61 0.00 0.61 0.00 0.00 0.00 176.54 177.63 3hfa n GLY 38 N -0.70 -0.54 3.33 4.60 0.00 -0.77 -2.03 105.19 109.08 3hfa n GLY 38 Ca 0.04 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.23 2.45 -0.15 1.61 1.01 -0.57 -0.18 120.40 124.33 3hfa s VAL 39 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 3hfa s VAL 39 Cb 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3hfa s VAL 39 CO 0.00 0.57 -0.08 -0.22 0.00 0.00 0.00 175.10 175.36 3hfa s LEU 40 N -0.15 2.94 -0.17 3.92 2.96 0.80 -0.21 118.68 128.77 3hfa s LEU 40 Ca -0.03 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 3hfa s LEU 40 Cb -0.14 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3hfa s LEU 40 CO 0.04 0.14 0.01 -0.36 -1.32 0.00 0.00 176.35 174.85 3hfa s PHE 41 N 0.53 3.11 -0.06 5.38 0.08 0.19 -1.03 117.98 126.18 3hfa s PHE 41 Ca -0.06 -0.20 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 3hfa s PHE 41 Cb -0.15 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 3hfa s PHE 41 CO 0.03 -0.01 -0.01 0.08 -0.10 0.00 0.00 175.22 175.21 3hfa s VAL 42 N 0.50 0.42 0.00 -0.44 1.01 -0.48 -2.28 120.40 119.13 3hfa s VAL 42 Ca -0.01 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3hfa s VAL 42 Cb -0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3hfa s VAL 42 CO 0.02 0.24 -0.15 0.00 0.00 0.00 0.00 175.10 175.21 3hfa s ALA 43 N 1.58 1.24 -0.19 5.51 0.00 -0.61 -0.82 121.76 128.48 3hfa s ALA 43 Ca -0.01 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 3hfa s ALA 43 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3hfa s ALA 43 CO -0.03 0.29 1.92 -1.21 0.00 0.00 0.00 175.76 176.72 3hfa s GLU 44 N -0.57 3.56 -0.26 0.00 2.02 -0.62 -1.18 118.70 121.65 3hfa s GLU 44 Ca 0.05 1.93 -0.01 0.00 0.02 0.00 0.00 54.97 56.96 3hfa s GLU 44 Cb -0.06 -4.20 0.15 0.00 0.10 0.00 0.00 34.13 30.11 3hfa s GLU 44 CO -0.00 -1.60 0.41 1.21 0.02 0.00 0.00 175.26 175.30 3hfa s ASN 45 N 5.97 0.06 0.19 -0.19 3.84 -0.01 -4.66 114.94 120.13 3hfa s ASN 45 Ca 0.86 0.15 -0.01 0.00 0.21 0.00 0.00 52.86 54.08 3hfa s ASN 45 Cb -0.31 1.25 0.10 0.00 -0.55 0.00 0.00 41.25 41.74 3hfa s ASN 45 CO 0.34 -0.31 1.46 -0.65 -2.79 0.00 0.00 177.10 175.16 3hfa h PRO 46 N 8.15 0.39 -6.94 0.43 0.11 -1.79 -3.22 132.00 129.13 3hfa h PRO 46 Ca -0.17 -0.30 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 3hfa h PRO 46 Cb 1.15 0.06 0.14 0.00 0.11 0.00 0.00 31.00 32.45 3hfa h PRO 46 CO 0.27 0.93 0.52 0.45 -0.21 0.00 0.00 178.00 179.96 3hfa n SER 47 N -3.86 2.47 0.06 -2.05 2.88 -1.26 -4.78 113.62 107.08 3hfa n SER 47 Ca -0.04 1.01 -0.12 0.00 -1.33 0.00 0.00 58.87 58.39 3hfa n SER 47 Cb 0.68 -1.53 -0.13 0.00 -0.75 0.00 0.00 64.21 62.47 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 1.58 0.13 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.39 3hfa h ARG 48 Ca -0.50 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.37 3hfa h ARG 48 Cb 1.31 0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.47 3hfa h ARG 48 CO 0.57 1.01 -0.59 -1.13 0.10 0.00 0.00 179.97 179.94 3hfa n SER 49 N -3.38 2.94 -4.65 0.08 3.41 -1.26 -5.00 113.62 105.76 3hfa n SER 49 Ca -0.09 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.06 3hfa n SER 49 Cb 1.00 0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 65.60 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 -2.01 4.12 -0.01 1.04 1.43 -1.26 -5.06 118.68 116.93 3hfa s LEU 50 Ca 0.00 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 3hfa s LEU 50 Cb 0.00 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 3hfa s LEU 50 CO 0.00 -0.27 -0.13 -1.10 0.23 0.00 0.00 176.35 175.09 3hfa s GLN 51 N 2.00 2.42 0.00 1.70 -0.21 -1.26 -4.76 119.66 119.55 3hfa s GLN 51 Ca 0.26 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 54.93 3hfa s GLN 51 Cb -0.16 -2.38 0.04 0.00 1.00 0.00 0.00 33.01 31.52 3hfa s GLN 51 CO 0.10 0.60 0.68 0.36 -2.12 0.00 0.00 175.29 174.90 3hfa n LYS 52 N 1.90 -0.19 -5.03 2.91 2.85 -1.26 -4.97 118.16 114.37 3hfa n LYS 52 Ca -0.16 -0.84 -0.29 0.00 -1.05 0.00 0.00 58.31 55.97 3hfa n LYS 52 Cb 0.52 -1.10 -0.15 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 -0.46 1.88 0.04 0.58 1.01 -1.26 -1.25 121.20 121.75 3hfa s ILE 53 Ca 0.06 -1.12 -0.27 0.00 0.00 0.00 0.00 60.65 59.32 3hfa s ILE 53 Cb 0.05 -1.58 0.07 0.00 0.01 0.00 0.00 42.46 41.00 3hfa s ILE 53 CO 0.07 0.44 0.65 -0.55 0.00 0.00 0.00 174.94 175.55 3hfa s SER 54 N -0.80 -0.61 0.34 3.58 0.15 0.11 -5.00 113.70 111.47 3hfa s SER 54 Ca 0.09 0.38 -0.27 0.00 0.70 0.00 0.00 55.95 56.85 3hfa s SER 54 Cb -0.09 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 3hfa s SER 54 CO 0.00 -0.77 1.13 -0.70 1.20 0.00 0.00 173.24 174.10 3hfa s GLU 55 N -2.39 4.36 -0.12 5.44 2.12 -1.26 -0.45 118.70 126.40 3hfa s GLU 55 Ca -0.05 1.79 -0.06 0.00 0.36 0.00 0.00 54.97 57.01 3hfa s GLU 55 Cb -0.00 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 3hfa s GLU 55 CO -0.01 -0.04 -0.16 1.28 -0.54 0.00 0.00 175.26 175.80 3hfa n LEU 56 N 0.59 0.85 0.00 2.70 4.77 -0.42 -4.82 117.00 120.66 3hfa n LEU 56 Ca 0.02 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3hfa n LEU 56 Cb 0.46 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3hfa n LEU 56 CO 0.52 0.24 0.18 0.00 -1.33 0.00 0.00 177.39 177.00 3hfa n TYR 57 N -3.54 -1.36 -0.40 -1.77 9.36 -0.95 -4.76 117.16 113.74 3hfa n TYR 57 Ca -0.23 -1.61 -0.06 0.00 3.32 0.00 0.00 57.90 59.31 3hfa n TYR 57 Cb 0.66 0.46 -0.03 0.00 -0.63 0.00 0.00 39.34 39.81 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 1.42 -1.78 -0.23 2.98 3.32 -1.95 -2.15 116.42 118.02 3hfa h ASP 58 Ca -0.21 0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3hfa h ASP 58 Cb 0.86 0.85 0.00 0.00 0.22 0.00 0.00 39.33 41.27 3hfa h ASP 58 CO 0.27 -0.26 0.00 0.54 -1.72 0.00 0.00 179.24 178.07 3hfa n ARG 59 N -5.37 2.79 -5.12 3.56 5.12 -1.26 -0.79 116.66 115.59 3hfa n ARG 59 Ca 0.06 -2.15 -0.30 0.00 -1.93 0.00 0.00 57.85 53.53 3hfa n ARG 59 Cb 0.34 -1.35 -0.17 0.00 -1.16 0.00 0.00 32.46 30.11 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 -1.52 1.89 0.36 1.55 1.01 -0.81 -1.99 120.40 120.88 3hfa s VAL 60 Ca 0.23 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3hfa s VAL 60 Cb 0.15 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 3hfa s VAL 60 CO 0.10 0.52 -0.02 -0.83 0.00 0.00 0.00 175.10 174.88 3hfa s GLY 61 N 0.20 2.26 -0.01 4.51 0.00 0.03 -1.30 107.32 113.00 3hfa s GLY 61 Ca -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 42.45 3hfa s GLY 61 CO 0.06 -1.99 -0.00 -0.12 0.00 0.00 0.00 173.10 171.04 3hfa s PHE 62 N -2.84 0.13 -0.01 1.90 5.36 0.40 -1.64 117.98 121.28 3hfa s PHE 62 Ca 0.34 0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.28 3hfa s PHE 62 Cb 0.07 -0.16 -0.00 0.00 -0.34 0.00 0.00 43.02 42.59 3hfa s PHE 62 CO 0.16 -0.04 0.08 0.00 -1.46 0.00 0.00 175.22 173.96 3hfa s ALA 63 N 0.33 -0.18 0.02 11.12 0.00 -0.48 -0.71 121.76 131.86 3hfa s ALA 63 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 3hfa s ALA 63 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3hfa s ALA 63 CO -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 175.76 175.70 3hfa s ALA 64 N -0.83 -0.10 0.09 0.00 0.00 -0.38 -0.24 121.76 120.30 3hfa s ALA 64 Ca -0.09 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.52 3hfa s ALA 64 Cb -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3hfa s ALA 64 CO 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 175.76 175.33 3hfa s ALA 65 N -1.88 1.73 0.00 0.00 0.00 -0.57 -4.86 121.76 116.17 3hfa s ALA 65 Ca -0.11 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.66 3hfa s ALA 65 Cb -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3hfa s ALA 65 CO -0.01 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3hfa n GLY 66 N 1.22 0.28 3.66 0.00 0.00 -1.26 -1.52 105.19 107.57 3hfa n GLY 66 Ca -0.19 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.45 4.21 0.10 1.61 2.20 -0.34 -4.90 119.74 122.17 3hfa s LYS 67 Ca 0.00 1.54 -0.26 0.00 -0.36 0.00 0.00 55.97 56.88 3hfa s LYS 67 Cb 0.00 -3.74 -0.11 0.00 -1.51 0.00 0.00 37.83 32.47 3hfa s LYS 67 CO 0.00 -0.72 1.67 0.35 -0.36 0.00 0.00 175.35 176.29 3hfa h PHE 68 N 8.07 -0.48 -0.52 4.03 3.57 -1.95 -1.42 116.94 128.25 3hfa h PHE 68 Ca -0.24 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.37 3hfa h PHE 68 Cb 1.09 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 3hfa h PHE 68 CO 0.79 -0.27 0.36 -2.95 -2.23 0.00 0.00 178.31 174.01 3hfa h ASN 69 N -0.38 0.20 0.03 0.41 7.08 -1.99 0.16 115.58 121.09 3hfa h ASN 69 Ca 0.01 0.01 -0.10 0.00 -3.08 0.00 0.00 56.30 53.13 3hfa h ASN 69 Cb 0.37 -0.04 0.01 0.00 -2.08 0.00 0.00 38.32 36.59 3hfa h ASN 69 CO -0.06 0.12 -0.41 -0.33 -2.08 0.00 0.00 177.43 174.66 3hfa h GLU 70 N 0.23 0.23 0.00 4.14 5.08 -1.78 -2.50 114.58 119.98 3hfa h GLU 70 Ca 0.24 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3hfa h GLU 70 Cb 0.66 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3hfa h GLU 70 CO -0.05 1.04 -0.35 0.27 -1.00 0.00 0.00 179.01 178.92 3hfa h PHE 71 N -0.44 0.00 -0.54 4.33 -5.15 -0.86 -2.67 116.94 111.62 3hfa h PHE 71 Ca -0.06 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.62 3hfa h PHE 71 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.35 3hfa h PHE 71 CO 0.19 0.35 -0.02 0.22 -2.00 0.00 0.00 178.31 177.05 3hfa h ASP 72 N 0.00 0.95 -0.43 -0.68 3.58 -0.78 0.12 116.42 119.18 3hfa h ASP 72 Ca -0.00 -0.31 0.08 0.00 0.42 0.00 0.00 57.03 57.21 3hfa h ASP 72 Cb 1.02 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.74 3hfa h ASP 72 CO 0.04 1.03 -0.03 0.78 -2.88 0.00 0.00 179.24 178.19 3hfa h ASN 73 N 0.84 -0.23 -0.27 2.28 2.35 -1.24 -0.83 115.58 118.48 3hfa h ASN 73 Ca 0.15 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3hfa h ASN 73 Cb 0.56 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 3hfa h ASN 73 CO 0.03 -0.08 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.55 3hfa h LEU 74 N 0.08 0.67 -0.03 1.61 3.38 -1.13 -0.51 115.31 119.38 3hfa h LEU 74 Ca 0.21 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hfa h LEU 74 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hfa h LEU 74 CO -0.37 0.81 -0.03 -0.09 0.09 0.00 0.00 178.44 178.85 3hfa h ARG 75 N 0.62 -0.04 -0.80 1.13 2.43 -0.28 0.45 114.38 117.89 3hfa h ARG 75 Ca 0.11 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3hfa h ARG 75 Cb 0.56 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 3hfa h ARG 75 CO 0.03 -0.02 0.33 0.00 -1.51 0.00 0.00 179.97 178.80 3hfa h ARG 76 N -0.04 1.19 -0.79 0.20 3.08 -0.89 -1.47 114.38 115.65 3hfa h ARG 76 Ca 0.02 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 3hfa h ARG 76 Cb 0.07 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3hfa h ARG 76 CO -0.05 0.96 0.38 0.78 -1.07 0.00 0.00 179.97 180.96 3hfa h GLY 77 N 1.16 1.22 0.92 0.04 0.00 -0.74 0.06 103.07 105.74 3hfa h GLY 77 Ca 0.27 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3hfa h GLY 77 CO -0.02 0.57 -0.02 -1.33 0.00 0.00 0.00 176.54 175.74 3hfa h GLY 78 N 1.16 0.69 1.00 4.60 0.00 -0.48 -0.59 103.07 109.45 3hfa h GLY 78 Ca 0.27 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3hfa h GLY 78 CO -0.03 0.48 0.36 -2.22 0.00 0.00 0.00 176.54 175.13 3hfa h ILE 79 N 0.45 1.22 -0.20 2.60 2.04 -0.93 0.88 117.51 123.57 3hfa h ILE 79 Ca 0.10 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3hfa h ILE 79 Cb 0.48 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3hfa h ILE 79 CO 0.02 0.24 0.06 -0.61 0.00 0.00 0.00 178.15 177.87 3hfa h GLN 80 N 0.94 0.15 -0.19 2.37 5.75 -0.84 -0.81 115.11 122.47 3hfa h GLN 80 Ca 0.24 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3hfa h GLN 80 Cb 0.06 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3hfa h GLN 80 CO -0.04 0.10 0.12 0.35 -2.65 0.00 0.00 178.83 176.71 3hfa h PHE 81 N 0.15 0.25 -0.50 3.99 3.57 -0.65 -1.43 116.94 122.32 3hfa h PHE 81 Ca 0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3hfa h PHE 81 Cb 0.06 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3hfa h PHE 81 CO -0.12 0.19 0.21 0.00 -2.23 0.00 0.00 178.31 176.36 3hfa h ALA 82 N 1.04 0.65 -0.24 2.41 0.00 -0.68 -1.46 119.26 120.99 3hfa h ALA 82 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3hfa h ALA 82 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hfa h ALA 82 CO -0.01 0.25 -0.34 -0.44 0.00 0.00 0.00 179.25 178.71 3hfa h ASP 83 N 0.67 0.53 -0.42 0.00 3.32 -1.10 -2.12 116.42 117.30 3hfa h ASP 83 Ca 0.17 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 3hfa h ASP 83 Cb 0.18 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3hfa h ASP 83 CO -0.02 0.83 -0.31 0.74 -1.72 0.00 0.00 179.24 178.76 3hfa h THR 84 N 0.43 1.27 -0.25 0.35 2.02 -1.06 -2.90 112.91 112.78 3hfa h THR 84 Ca 0.05 -1.49 -0.13 0.00 0.77 0.00 0.00 66.41 65.61 3hfa h THR 84 Cb 0.80 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3hfa h THR 84 CO 0.06 0.50 -0.35 0.03 0.37 0.00 0.00 175.52 176.14 3hfa h ARG 85 N 0.80 0.68 0.00 6.66 2.47 -1.18 -2.28 114.38 121.52 3hfa h ARG 85 Ca 0.08 -0.40 -0.02 0.00 -1.26 0.00 0.00 59.98 58.39 3hfa h ARG 85 Cb 0.91 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 3hfa h ARG 85 CO 0.08 1.01 -0.09 0.78 0.56 0.00 0.00 179.97 182.31 3hfa h GLY 86 N 0.39 0.00 1.22 0.04 0.00 -1.42 -0.90 103.07 102.41 3hfa h GLY 86 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.06 3hfa h GLY 86 CO 0.08 0.00 -1.55 -1.82 0.00 0.00 0.00 176.54 173.26 3hfa h TYR 87 N 0.00 0.24 0.00 5.60 3.20 -1.41 -3.16 116.97 121.44 3hfa h TYR 87 Ca -0.00 -0.18 -0.17 0.00 3.14 0.00 0.00 58.73 61.52 3hfa h TYR 87 Cb 0.24 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3hfa h TYR 87 CO 0.00 1.24 -0.81 0.00 -1.64 0.00 0.00 178.16 176.95 3hfa h ALA 88 N 0.69 0.65 -3.00 1.82 0.00 -1.01 -3.45 119.26 114.97 3hfa h ALA 88 Ca -0.24 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3hfa h ALA 88 Cb 1.98 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3hfa h ALA 88 CO 0.12 1.00 0.00 0.66 0.00 0.00 0.00 179.25 181.03 3hfa n TYR 89 N -3.59 0.00 -4.05 0.00 4.01 -0.38 -5.10 117.16 108.06 3hfa n TYR 89 Ca -0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.66 3hfa n TYR 89 Cb 0.78 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.71 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 1.00 0.42 0.22 7.72 2.15 -1.20 -4.91 116.67 122.07 3hfa s ASP 90 Ca 0.00 -0.92 -0.08 0.00 0.43 0.00 0.00 52.55 51.98 3hfa s ASP 90 Cb 0.00 0.22 0.35 0.00 -0.30 0.00 0.00 42.92 43.19 3hfa s ASP 90 CO 0.00 -0.61 1.70 0.03 -0.17 0.00 0.00 175.17 176.13 3hfa h ARG 91 N 3.14 0.28 0.00 4.34 3.08 -1.88 -0.48 114.38 122.86 3hfa h ARG 91 Ca -0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3hfa h ARG 91 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3hfa h ARG 91 CO 0.63 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 180.26 3hfa n ARG 92 N -5.11 0.04 0.01 0.04 5.12 -1.26 -1.59 116.66 113.91 3hfa n ARG 92 Ca 0.11 0.45 0.12 0.00 -1.93 0.00 0.00 57.85 56.60 3hfa n ARG 92 Cb 0.36 -1.60 0.29 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.68 0.46 -4.68 0.55 8.00 -0.19 -4.80 116.55 114.21 3hfa n ASP 93 Ca 0.01 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.03 3hfa n ASP 93 Cb 0.07 0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 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 -3.03 4.94 0.16 2.53 1.01 -0.62 -5.01 120.40 120.38 3hfa s VAL 94 Ca 0.11 1.53 0.06 0.00 0.00 0.00 0.00 61.98 63.68 3hfa s VAL 94 Cb 0.17 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3hfa s VAL 94 CO 0.68 0.09 -0.12 0.42 0.00 0.00 0.00 175.10 176.17 3hfa s THR 95 N 1.77 1.41 0.38 3.92 -4.23 -1.26 -4.98 115.64 112.65 3hfa s THR 95 Ca 0.37 -2.04 0.16 0.00 -1.18 0.00 0.00 61.69 59.00 3hfa s THR 95 Cb -0.17 -1.85 0.15 0.00 1.34 0.00 0.00 72.50 71.97 3hfa s THR 95 CO 0.14 -0.62 1.90 1.23 -0.54 0.00 0.00 174.62 176.73 3hfa h GLY 96 N 2.86 0.00 1.43 3.99 0.00 -1.93 -1.94 103.07 107.47 3hfa h GLY 96 Ca -0.38 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 3hfa h GLY 96 CO 0.60 0.00 -0.42 -0.09 0.00 0.00 0.00 176.54 176.64 3hfa h ARG 97 N 0.00 0.63 -0.40 4.80 2.43 -1.95 -0.33 114.38 119.56 3hfa h ARG 97 Ca -0.00 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.73 3hfa h ARG 97 Cb 0.54 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3hfa h ARG 97 CO 0.04 0.93 -0.18 0.37 -1.51 0.00 0.00 179.97 179.62 3hfa h GLN 98 N 0.51 0.83 -0.40 0.20 4.15 -1.82 -1.90 115.11 116.68 3hfa h GLN 98 Ca 0.04 -0.35 -0.07 0.00 0.77 0.00 0.00 58.65 59.04 3hfa h GLN 98 Cb 0.94 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 3hfa h GLN 98 CO 0.08 0.99 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.88 3hfa h LEU 99 N 0.64 0.70 -0.81 -2.39 3.38 -1.22 -2.28 115.31 113.33 3hfa h LEU 99 Ca 0.09 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hfa h LEU 99 Cb 0.73 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3hfa h LEU 99 CO 0.06 0.85 0.51 0.00 0.09 0.00 0.00 178.44 179.95 3hfa h ALA 100 N 0.87 1.03 -0.74 1.53 0.00 -1.03 -0.62 119.26 120.31 3hfa h ALA 100 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 100 Cb 0.50 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hfa h ALA 100 CO 0.02 0.47 0.34 -0.97 0.00 0.00 0.00 179.25 179.11 3hfa h ASN 101 N 1.10 0.96 0.37 0.00 -0.73 -1.26 -0.36 115.58 115.67 3hfa h ASN 101 Ca 0.29 -0.11 -0.18 0.00 1.87 0.00 0.00 56.30 58.17 3hfa h ASN 101 Cb -0.08 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.25 3hfa h ASN 101 CO -0.06 0.82 -0.76 1.62 -0.37 0.00 0.00 177.43 178.68 3hfa h VAL 102 N 1.05 1.41 -0.52 2.57 3.04 -0.84 -2.31 116.25 120.66 3hfa h VAL 102 Ca 0.25 -2.26 -0.10 0.00 -1.01 0.00 0.00 66.70 63.58 3hfa h VAL 102 Cb 0.13 2.21 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 3hfa h VAL 102 CO -0.03 0.67 -0.07 1.88 -1.01 0.00 0.00 177.57 179.02 3hfa h TYR 103 N 0.21 1.06 -0.10 3.17 0.05 -0.78 -0.79 116.97 119.78 3hfa h TYR 103 Ca -0.03 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 58.57 3hfa h TYR 103 Cb 1.35 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 3hfa h TYR 103 CO 0.04 0.99 -0.07 0.00 -1.05 0.00 0.00 178.16 178.07 3hfa h ALA 104 N 0.92 0.02 -0.95 3.88 0.00 -0.98 0.40 119.26 122.54 3hfa h ALA 104 Ca 0.14 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hfa h ALA 104 Cb 0.62 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3hfa h ALA 104 CO 0.04 -0.53 0.62 0.37 0.00 0.00 0.00 179.25 179.75 3hfa h GLN 105 N -0.08 1.14 0.14 0.00 4.15 -1.28 -1.55 115.11 117.63 3hfa h GLN 105 Ca 0.07 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hfa h GLN 105 Cb 0.18 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3hfa h GLN 105 CO -0.15 0.76 -0.07 1.15 -1.93 0.00 0.00 178.83 178.58 3hfa h THR 106 N 1.18 1.02 -0.87 2.39 2.02 -0.53 -2.52 112.91 115.59 3hfa h THR 106 Ca 0.38 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3hfa h THR 106 Cb 0.05 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 3hfa h THR 106 CO -0.12 0.22 0.47 -0.07 0.37 0.00 0.00 175.52 176.39 3hfa h LEU 107 N -0.67 1.09 -0.90 2.58 3.38 -0.88 0.63 115.31 120.55 3hfa h LEU 107 Ca -0.02 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3hfa h LEU 107 Cb 0.50 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3hfa h LEU 107 CO 0.03 0.88 0.56 1.23 0.09 0.00 0.00 178.44 181.24 3hfa h GLY 108 N 1.23 1.38 1.32 0.83 0.00 -1.30 1.16 103.07 107.69 3hfa h GLY 108 Ca 0.31 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 3hfa h GLY 108 CO -0.05 0.26 -0.62 -0.84 0.00 0.00 0.00 176.54 175.29 3hfa h THR 109 N 1.01 1.30 -0.32 4.70 2.02 -0.89 -2.87 112.91 117.87 3hfa h THR 109 Ca 0.40 -1.85 -0.05 0.00 0.77 0.00 0.00 66.41 65.68 3hfa h THR 109 Cb 0.22 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3hfa h THR 109 CO -0.19 0.59 0.01 0.40 0.37 0.00 0.00 175.52 176.70 3hfa h ILE 110 N 0.51 1.25 -0.34 3.11 2.04 0.12 -1.81 117.51 122.41 3hfa h ILE 110 Ca -0.01 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3hfa h ILE 110 Cb 1.21 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3hfa h ILE 110 CO 0.12 0.30 0.16 0.15 0.00 0.00 0.00 178.15 178.89 3hfa h PHE 111 N 0.36 0.45 0.00 1.37 3.57 0.14 -1.49 116.94 121.33 3hfa h PHE 111 Ca 0.09 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3hfa h PHE 111 Cb 0.42 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3hfa h PHE 111 CO 0.03 0.34 -2.04 0.25 -2.23 0.00 0.00 178.31 174.66 3hfa n THR 112 N -4.43 0.14 -0.00 4.41 -2.24 -1.09 -4.70 114.28 106.37 3hfa n THR 112 Ca 0.02 -0.54 -0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3hfa n THR 112 Cb 0.11 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.31 2.09 -1.06 -0.78 1.02 -0.68 -5.03 120.64 113.88 3hfa n GLU 113 Ca -0.07 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 3hfa n GLU 113 Cb 0.63 -1.03 0.12 0.00 -0.02 0.00 0.00 31.44 31.15 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 -2.05 1.71 0.29 3.49 2.00 -0.57 -4.93 119.66 119.61 3hfa s GLN 114 Ca -0.00 1.26 0.01 0.00 -2.00 0.00 0.00 55.36 54.63 3hfa s GLN 114 Cb 0.00 -1.83 0.45 0.00 0.80 0.00 0.00 33.01 32.44 3hfa s GLN 114 CO 0.04 -2.05 1.81 0.00 -0.50 0.00 0.00 175.29 174.59 3hfa h ALA 115 N -1.43 1.22 -3.92 1.58 0.00 -1.96 -3.43 119.26 111.32 3hfa h ALA 115 Ca -0.44 -0.24 -0.35 0.00 0.00 0.00 0.00 54.91 53.88 3hfa h ALA 115 Cb 1.25 -0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.58 3hfa h ALA 115 CO 0.48 0.52 -0.76 0.21 0.00 0.00 0.00 179.25 179.70 3hfa s LYS 116 N -4.97 0.53 0.71 0.00 2.20 -1.26 -5.14 119.74 111.81 3hfa s LYS 116 Ca -0.09 -0.25 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 3hfa s LYS 116 Cb 0.15 -0.50 0.03 0.00 -1.51 0.00 0.00 37.83 35.99 3hfa s LYS 116 CO 0.79 0.14 1.18 -2.14 -0.36 0.00 0.00 175.35 174.96 3hfa s PRO 117 N -0.21 2.31 -0.00 4.03 0.02 -1.26 -4.91 135.00 134.97 3hfa s PRO 117 Ca 0.02 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 3hfa s PRO 117 Cb -0.03 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3hfa s PRO 117 CO -0.00 -1.69 1.22 0.71 -0.33 0.00 0.00 177.00 176.91 3hfa s TYR 118 N -2.06 3.25 -1.26 6.54 1.51 -1.26 -4.91 117.35 119.15 3hfa s TYR 118 Ca 0.73 1.21 -0.11 0.00 -1.01 0.00 0.00 57.07 57.88 3hfa s TYR 118 Cb -0.27 -3.44 0.16 0.00 -0.11 0.00 0.00 41.96 38.30 3hfa s TYR 118 CO 0.44 -1.41 1.74 0.39 -1.11 0.00 0.00 175.55 175.60 3hfa n GLU 119 N 4.71 3.50 -3.96 -0.62 1.02 -1.26 -4.78 120.64 119.26 3hfa n GLU 119 Ca 0.10 -3.60 -0.08 0.00 -0.02 0.00 0.00 57.16 53.56 3hfa n GLU 119 Cb 0.46 -2.99 -0.09 0.00 -0.02 0.00 0.00 31.44 28.80 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 0.98 0.17 -0.03 2.62 -7.23 -1.26 -1.20 120.40 114.45 3hfa s VAL 120 Ca 0.41 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 3hfa s VAL 120 Cb 0.05 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.75 3hfa s VAL 120 CO 0.00 -0.76 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.32 3hfa s GLU 121 N -3.50 0.43 0.07 4.82 2.12 -0.58 -3.31 118.70 118.75 3hfa s GLU 121 Ca 0.03 -0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.41 3hfa s GLU 121 Cb 0.04 -0.53 -0.04 0.00 0.26 0.00 0.00 34.13 33.87 3hfa s GLU 121 CO -0.09 -0.07 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.90 3hfa s LEU 122 N 0.74 2.77 -0.10 2.70 1.43 0.11 -1.52 118.68 124.82 3hfa s LEU 122 Ca -0.08 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3hfa s LEU 122 Cb -0.11 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3hfa s LEU 122 CO -0.01 0.23 -0.21 0.00 0.23 0.00 0.00 176.35 176.59 3hfa s VAL 124 N 0.55 3.43 0.12 0.00 1.01 -0.11 -1.38 120.40 124.02 3hfa s VAL 124 Ca -0.15 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.39 3hfa s VAL 124 Cb -0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3hfa s VAL 124 CO 0.05 0.51 -0.20 0.00 0.00 0.00 0.00 175.10 175.46 3hfa s ALA 125 N 0.35 1.88 -0.02 5.51 0.00 -0.65 -0.18 121.76 128.65 3hfa s ALA 125 Ca -0.08 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 3hfa s ALA 125 Cb -0.15 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3hfa s ALA 125 CO 0.04 0.32 0.04 -2.00 0.00 0.00 0.00 175.76 174.17 3hfa s GLU 126 N -2.20 0.02 0.40 0.00 2.12 -0.41 -0.79 118.70 117.84 3hfa s GLU 126 Ca 0.10 0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.60 3hfa s GLU 126 Cb -0.09 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 3hfa s GLU 126 CO 0.05 -0.05 0.19 0.14 -0.54 0.00 0.00 175.26 175.04 3hfa s VAL 127 N 0.35 2.44 0.75 3.70 -7.23 -0.84 -1.04 120.40 118.52 3hfa s VAL 127 Ca -0.03 -1.67 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 3hfa s VAL 127 Cb -0.04 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 33.96 3hfa s VAL 127 CO -0.01 -0.03 1.19 0.00 -0.31 0.00 0.00 175.10 175.94 3hfa s ALA 128 N -2.56 2.08 0.64 1.32 0.00 -1.26 -4.87 121.76 117.11 3hfa s ALA 128 Ca 0.41 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 3hfa s ALA 128 Cb 0.02 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3hfa s ALA 128 CO 0.23 -1.93 1.08 -1.01 0.00 0.00 0.00 175.76 174.13 3hfa s HIS 129 N -2.08 2.80 0.01 0.00 3.76 -1.26 -4.80 115.29 113.71 3hfa s HIS 129 Ca 0.73 1.53 -0.37 0.00 -0.15 0.00 0.00 55.06 56.80 3hfa s HIS 129 Cb -0.28 -3.08 -0.16 0.00 1.11 0.00 0.00 32.58 30.18 3hfa s HIS 129 CO 0.47 -1.44 1.50 0.98 -0.85 0.00 0.00 174.74 175.40 3hfa n TYR 130 N -2.37 1.81 -1.00 1.40 9.36 -1.26 -1.01 117.16 124.08 3hfa n TYR 130 Ca 0.09 0.51 -0.00 0.00 3.32 0.00 0.00 57.90 61.83 3hfa n TYR 130 Cb 0.52 -2.42 -0.00 0.00 -0.63 0.00 0.00 39.34 36.82 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 3.15 0.47 3.74 2.98 0.00 -1.26 -5.03 105.19 109.24 3hfa n GLY 131 Ca 0.20 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.25 2.67 -0.24 1.61 2.02 -0.18 -5.11 118.70 119.23 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 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 3hfa s GLU 132 CO 0.00 0.43 0.02 0.95 0.02 0.00 0.00 175.26 176.68 3hfa s THR 133 N -1.96 3.92 -0.29 3.63 -4.23 -1.26 -4.75 115.64 110.70 3hfa s THR 133 Ca 0.31 -0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 3hfa s THR 133 Cb -0.09 -2.82 0.13 0.00 1.34 0.00 0.00 72.50 71.07 3hfa s THR 133 CO 0.22 0.37 0.80 -0.75 -0.54 0.00 0.00 174.62 174.73 3hfa s LYS 134 N 1.55 0.50 0.30 3.99 2.20 -1.26 -5.07 119.74 121.95 3hfa s LYS 134 Ca 0.06 1.07 -0.29 0.00 -0.36 0.00 0.00 55.97 56.45 3hfa s LYS 134 Cb -0.15 0.44 -0.13 0.00 -1.51 0.00 0.00 37.83 36.48 3hfa s LYS 134 CO 0.01 -0.14 1.25 0.54 -0.36 0.00 0.00 175.35 176.65 3hfa n ARG 135 N 4.72 1.89 -1.52 4.03 1.74 -1.26 -4.23 116.66 122.03 3hfa n ARG 135 Ca -0.15 0.67 -0.36 0.00 -0.77 0.00 0.00 57.85 57.24 3hfa n ARG 135 Cb 0.54 -2.22 0.08 0.00 -1.02 0.00 0.00 32.46 29.84 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 1.04 0.78 -5.12 5.56 -0.02 -1.26 -4.80 135.00 131.18 3hfa n PRO 136 Ca 0.08 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 3hfa n PRO 136 Cb 0.33 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.26 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 -3.41 2.71 -0.09 -0.52 2.02 -0.21 -4.98 118.70 114.22 3hfa s GLU 137 Ca 0.78 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.98 3hfa s GLU 137 Cb -0.36 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3hfa s GLU 137 CO 0.45 0.38 -0.21 -0.51 0.02 0.00 0.00 175.26 175.39 3hfa s LEU 138 N -0.14 1.99 -0.04 1.80 1.43 -1.23 -1.29 118.68 121.19 3hfa s LEU 138 Ca -0.03 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3hfa s LEU 138 Cb -0.14 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 3hfa s LEU 138 CO 0.04 0.13 -0.22 -0.31 0.23 0.00 0.00 176.35 176.22 3hfa s TYR 139 N 0.41 2.13 -0.17 0.29 2.02 0.75 -0.50 117.35 122.28 3hfa s TYR 139 Ca -0.18 -0.58 -0.00 0.00 -0.37 0.00 0.00 57.07 55.94 3hfa s TYR 139 Cb -0.17 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3hfa s TYR 139 CO 0.08 -0.16 -0.14 0.50 -1.57 0.00 0.00 175.55 174.26 3hfa s ARG 140 N -0.18 3.21 -0.17 -0.62 3.00 0.49 -0.94 118.95 123.74 3hfa s ARG 140 Ca -0.01 -0.74 -0.01 0.00 -1.00 0.00 0.00 55.73 53.97 3hfa s ARG 140 Cb -0.12 -2.68 -0.00 0.00 0.00 0.00 0.00 34.95 32.14 3hfa s ARG 140 CO 0.02 -0.05 -0.12 0.42 0.00 0.00 0.00 175.30 175.57 3hfa s ILE 141 N 0.99 2.86 0.61 4.11 1.09 -0.02 -1.42 121.20 129.43 3hfa s ILE 141 Ca -0.02 -0.69 0.07 0.00 -1.10 0.00 0.00 60.65 58.91 3hfa s ILE 141 Cb -0.15 -2.23 0.10 0.00 -1.06 0.00 0.00 42.46 39.12 3hfa s ILE 141 CO -0.03 0.50 0.84 0.42 -0.10 0.00 0.00 174.94 176.57 3hfa s THR 142 N 0.93 2.15 0.54 2.92 -4.23 -0.43 -0.71 115.64 116.81 3hfa s THR 142 Ca -0.02 -0.91 0.37 0.00 -1.18 0.00 0.00 61.69 59.95 3hfa s THR 142 Cb -0.15 -2.23 0.39 0.00 1.34 0.00 0.00 72.50 71.85 3hfa s THR 142 CO -0.01 0.00 2.25 0.10 -0.54 0.00 0.00 174.62 176.42 3hfa h TYR 143 N 0.02 0.00 -0.34 3.99 -0.00 -1.85 -1.39 116.97 117.40 3hfa h TYR 143 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.42 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 0.29 0.02 0.00 -0.40 -0.00 0.00 0.00 178.16 178.07 3hfa n ASP 144 N -3.36 3.37 0.00 0.10 5.75 -1.26 -4.52 116.55 116.63 3hfa n ASP 144 Ca -0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 3hfa n ASP 144 Cb 0.13 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.48 0.68 3.76 6.12 0.00 -0.52 -4.02 105.19 112.69 3hfa n GLY 145 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.93 5.94 0.01 1.61 0.01 -1.26 -4.64 113.70 112.44 3hfa s SER 146 Ca 0.00 2.82 0.01 0.00 1.31 0.00 0.00 55.95 60.09 3hfa s SER 146 Cb 0.00 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 3hfa s SER 146 CO 0.00 -1.12 -0.05 -0.51 0.41 0.00 0.00 173.24 171.97 3hfa s ILE 147 N -1.24 0.38 -0.11 1.44 2.07 -1.26 -1.32 121.20 121.17 3hfa s ILE 147 Ca 0.61 -0.49 -0.09 0.00 -1.41 0.00 0.00 60.65 59.27 3hfa s ILE 147 Cb -0.41 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 41.83 3hfa s ILE 147 CO 0.53 -0.08 0.28 0.00 -1.91 0.00 0.00 174.94 173.76 3hfa s ALA 148 N -0.56 -0.69 -0.11 1.50 0.00 -0.51 -4.99 121.76 116.40 3hfa s ALA 148 Ca -0.03 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3hfa s ALA 148 Cb -0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 3hfa s ALA 148 CO -0.00 -0.14 0.23 0.16 0.00 0.00 0.00 175.76 176.01 3hfa s ASP 149 N 0.33 6.47 0.02 0.00 1.47 -1.26 -0.38 116.67 123.31 3hfa s ASP 149 Ca -0.01 0.56 0.05 0.00 1.18 0.00 0.00 52.55 54.32 3hfa s ASP 149 Cb -0.03 -2.14 -0.03 0.00 -0.34 0.00 0.00 42.92 40.38 3hfa s ASP 149 CO -0.01 0.29 -0.11 -1.61 0.68 0.00 0.00 175.17 174.41 3hfa s GLU 150 N -0.52 2.38 0.04 2.11 0.41 0.35 -4.99 118.70 118.47 3hfa s GLU 150 Ca 0.16 -0.82 -0.14 0.00 -0.41 0.00 0.00 54.97 53.77 3hfa s GLU 150 Cb -0.13 -2.39 -0.33 0.00 -1.78 0.00 0.00 34.13 29.50 3hfa s GLU 150 CO 0.05 0.58 1.04 -1.35 -0.49 0.00 0.00 175.26 175.09 3hfa h PRO 151 N 4.53 0.53 0.00 0.39 0.11 -1.94 -3.25 132.00 132.37 3hfa h PRO 151 Ca -0.48 -0.86 0.00 0.00 0.11 0.00 0.00 66.00 64.77 3hfa h PRO 151 Cb 1.16 0.31 0.00 0.00 0.11 0.00 0.00 31.00 32.59 3hfa h PRO 151 CO 0.52 1.41 -0.98 0.72 -0.21 0.00 0.00 178.00 179.46 3hfa n HIS 152 N -3.71 0.00 -3.54 0.65 8.25 -1.26 -4.88 115.22 110.73 3hfa n HIS 152 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 3hfa n HIS 152 Cb 1.07 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.16 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 -0.38 -0.03 4.41 -0.12 -1.26 -1.81 117.98 116.80 3hfa s PHE 153 Ca 0.00 0.11 0.02 0.00 -0.05 0.00 0.00 56.93 57.01 3hfa s PHE 153 Cb 0.00 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.88 3hfa s PHE 153 CO 0.00 -0.85 -0.07 0.08 -0.05 0.00 0.00 175.22 174.33 3hfa s VAL 154 N -3.79 0.65 -0.06 -2.49 1.01 -0.14 -4.88 120.40 110.69 3hfa s VAL 154 Ca 0.03 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3hfa s VAL 154 Cb -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 3hfa s VAL 154 CO -0.10 0.22 -0.23 -0.69 0.00 0.00 0.00 175.10 174.31 3hfa s VAL 155 N 0.43 1.89 0.01 2.92 1.01 -1.26 -1.00 120.40 124.39 3hfa s VAL 155 Ca -0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3hfa s VAL 155 Cb -0.10 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3hfa s VAL 155 CO 0.00 0.53 0.02 -0.04 0.00 0.00 0.00 175.10 175.61 3hfa s MET 156 N 0.01 0.30 0.00 2.72 -1.94 -0.03 -5.00 119.30 115.36 3hfa s MET 156 Ca -0.07 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 3hfa s MET 156 Cb -0.14 0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.81 3hfa s MET 156 CO 0.04 -0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.41 3hfa n GLY 157 N 1.85 -1.96 7.00 -0.03 0.00 -1.26 -0.43 105.19 110.36 3hfa n GLY 157 Ca -0.21 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.92 1.00 3.49 -0.02 0.00 -0.38 -4.22 105.19 104.14 3hfa n GLY 158 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 3hfa n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfa s THR 159 N 0.00 4.33 -0.18 2.61 -4.23 -1.26 -4.53 115.64 112.38 3hfa s THR 159 Ca 0.00 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.69 3hfa s THR 159 Cb 0.00 -4.61 0.02 0.00 1.34 0.00 0.00 72.50 69.24 3hfa s THR 159 CO 0.00 -1.29 1.23 0.71 -0.54 0.00 0.00 174.62 174.73 3hfa h THR 160 N 6.00 0.59 0.13 3.99 1.35 -1.95 -3.39 112.91 119.62 3hfa h THR 160 Ca -0.27 -1.93 0.02 0.00 -0.55 0.00 0.00 66.41 63.68 3hfa h THR 160 Cb 1.07 2.18 -0.04 0.00 -1.73 0.00 0.00 68.15 69.62 3hfa h THR 160 CO 1.13 0.34 -0.39 -0.08 -0.25 0.00 0.00 175.52 176.27 3hfa h GLU 161 N 0.00 -0.60 -0.85 4.72 4.57 -1.95 0.22 114.58 120.69 3hfa h GLU 161 Ca -0.05 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3hfa h GLU 161 Cb 1.38 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 30.05 3hfa h GLU 161 CO 0.05 -0.40 0.54 -1.35 -1.18 0.00 0.00 179.01 176.67 3hfa h PRO 162 N -0.62 1.03 -0.20 0.92 0.11 -1.83 -0.07 132.00 131.34 3hfa h PRO 162 Ca 0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3hfa h PRO 162 Cb 0.65 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3hfa h PRO 162 CO -0.22 0.68 0.08 0.82 -0.21 0.00 0.00 178.00 179.15 3hfa h ILE 163 N 1.06 1.17 -0.79 4.15 2.04 -1.57 -0.26 117.51 123.31 3hfa h ILE 163 Ca 0.34 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 3hfa h ILE 163 Cb -0.00 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3hfa h ILE 163 CO -0.11 0.16 0.30 0.00 0.00 0.00 0.00 178.15 178.50 3hfa h ALA 164 N 0.92 1.03 -0.19 1.87 0.00 -0.24 -1.14 119.26 121.51 3hfa h ALA 164 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hfa h ALA 164 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hfa h ALA 164 CO -0.01 0.67 0.08 -0.91 0.00 0.00 0.00 179.25 179.08 3hfa h ASN 165 N 1.16 0.26 -0.75 0.00 2.35 -0.86 0.21 115.58 117.94 3hfa h ASN 165 Ca 0.26 -0.16 0.08 0.00 -0.55 0.00 0.00 56.30 55.93 3hfa h ASN 165 Cb 0.24 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 3hfa h ASN 165 CO -0.02 0.35 0.42 0.00 -1.65 0.00 0.00 177.43 176.53 3hfa h ALA 166 N 0.92 1.04 0.00 -0.83 0.00 -0.80 -1.02 119.26 118.58 3hfa h ALA 166 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 166 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 166 CO -0.01 0.06 -0.00 -0.07 0.00 0.00 0.00 179.25 179.23 3hfa h LEU 167 N 0.73 -0.01 -1.95 0.00 -0.00 -0.96 -0.84 115.31 112.28 3hfa h LEU 167 Ca 0.35 -0.23 0.11 0.00 -0.00 0.00 0.00 57.88 58.11 3hfa h LEU 167 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 3hfa h LEU 167 CO -0.23 0.23 0.45 0.50 -0.00 0.00 0.00 178.44 179.39 3hfa h LYS 168 N -0.24 0.00 0.00 1.13 3.64 -0.01 0.48 116.57 121.57 3hfa h LYS 168 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3hfa h LYS 168 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hfa h LYS 168 CO 0.00 0.00 -0.95 1.49 -2.27 0.00 0.00 179.45 177.73 3hfa h GLU 169 N 0.00 0.00 -0.00 1.90 4.57 -0.88 -3.41 114.58 116.76 3hfa h GLU 169 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3hfa h GLU 169 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3hfa h GLU 169 CO -0.00 0.87 -0.80 -1.13 -1.18 0.00 0.00 179.01 176.77 3hfa n SER 170 N -4.49 0.97 -4.69 1.04 3.41 -0.35 -4.95 113.62 104.57 3hfa n SER 170 Ca -0.25 -0.85 -0.42 0.00 -0.26 0.00 0.00 58.87 57.08 3hfa n SER 170 Cb 0.59 0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 65.24 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 -2.93 2.68 -0.09 7.33 5.04 0.16 -5.00 117.35 124.54 3hfa s TYR 171 Ca 0.10 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.38 3hfa s TYR 171 Cb 0.17 -3.78 -0.01 0.00 0.35 0.00 0.00 41.96 38.68 3hfa s TYR 171 CO 0.79 -3.02 -0.20 0.00 -1.34 0.00 0.00 175.55 171.78 3hfa s ALA 172 N 2.49 2.36 0.34 3.97 0.00 -1.26 -5.00 121.76 124.67 3hfa s ALA 172 Ca 0.68 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 3hfa s ALA 172 Cb -0.35 -0.91 -0.11 0.00 0.00 0.00 0.00 23.12 21.76 3hfa s ALA 172 CO 0.29 0.35 1.40 -2.00 0.00 0.00 0.00 175.76 175.80 3hfa s GLU 173 N 0.05 4.24 -1.34 0.00 2.12 -1.26 -3.35 118.70 119.16 3hfa s GLU 173 Ca -0.08 2.38 -0.02 0.00 0.36 0.00 0.00 54.97 57.61 3hfa s GLU 173 Cb -0.15 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.21 3hfa s GLU 173 CO 0.05 -0.36 0.30 0.09 -0.54 0.00 0.00 175.26 174.80 3hfa n ASN 174 N 0.81 -5.18 -4.81 -1.70 3.02 -1.26 -4.95 115.26 101.19 3hfa n ASN 174 Ca 0.01 -0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.10 3hfa n ASN 174 Cb 0.40 -4.12 0.03 0.00 -0.61 0.00 0.00 39.78 35.49 3hfa n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfa s ALA 175 N -2.98 2.70 0.95 5.41 0.00 -1.21 -4.12 121.76 122.51 3hfa s ALA 175 Ca 0.15 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 3hfa s ALA 175 Cb -0.07 -3.20 0.16 0.00 0.00 0.00 0.00 23.12 20.02 3hfa s ALA 175 CO 0.19 -1.05 1.09 -1.54 0.00 0.00 0.00 175.76 174.44 3hfa s SER 176 N -3.37 2.93 0.20 0.00 1.04 -1.26 -2.33 113.70 110.91 3hfa s SER 176 Ca 0.60 1.49 -0.11 0.00 0.48 0.00 0.00 55.95 58.41 3hfa s SER 176 Cb -0.15 -2.16 0.19 0.00 0.10 0.00 0.00 66.02 64.00 3hfa s SER 176 CO 0.47 -2.98 1.81 0.25 0.98 0.00 0.00 173.24 173.77 3hfa h LEU 177 N -1.78 0.50 -0.26 2.42 5.85 -1.99 0.99 115.31 121.04 3hfa h LEU 177 Ca -0.52 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 3hfa h LEU 177 Cb 1.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3hfa h LEU 177 CO 0.54 0.34 0.06 0.74 -0.34 0.00 0.00 178.44 179.77 3hfa h THR 178 N 0.64 1.22 -0.44 1.05 2.02 -1.92 -0.88 112.91 114.60 3hfa h THR 178 Ca 0.27 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 3hfa h THR 178 Cb 0.14 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3hfa h THR 178 CO -0.16 0.24 0.11 0.44 0.37 0.00 0.00 175.52 176.52 3hfa h ASP 179 N 0.25 0.66 -0.33 4.18 3.32 -1.86 -1.73 116.42 120.90 3hfa h ASP 179 Ca 0.08 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3hfa h ASP 179 Cb 0.30 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3hfa h ASP 179 CO 0.00 0.71 0.18 0.00 -1.72 0.00 0.00 179.24 178.41 3hfa h ALA 180 N 0.97 0.41 -0.47 3.45 0.00 -0.74 -0.71 119.26 122.17 3hfa h ALA 180 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hfa h ALA 180 Cb 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3hfa h ALA 180 CO 0.00 -0.19 0.23 1.25 0.00 0.00 0.00 179.25 180.54 3hfa h LEU 181 N 0.36 0.33 -0.11 0.00 5.85 -1.01 0.19 115.31 120.93 3hfa h LEU 181 Ca 0.14 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hfa h LEU 181 Cb 0.03 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3hfa h LEU 181 CO -0.08 0.23 0.03 -0.09 -0.34 0.00 0.00 178.44 178.19 3hfa h ARG 182 N 0.46 0.17 -0.59 1.25 2.43 -1.00 0.64 114.38 117.75 3hfa h ARG 182 Ca 0.21 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.45 3hfa h ARG 182 Cb 0.12 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.55 3hfa h ARG 182 CO -0.15 0.35 0.05 0.82 -1.51 0.00 0.00 179.97 179.53 3hfa h ILE 183 N -0.03 0.57 0.12 1.20 2.04 -0.90 -0.81 117.51 119.70 3hfa h ILE 183 Ca 0.03 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hfa h ILE 183 Cb 0.25 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3hfa h ILE 183 CO 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 178.15 178.12 3hfa h ALA 184 N 1.51 -0.16 -0.95 1.87 0.00 -0.55 -0.70 119.26 120.27 3hfa h ALA 184 Ca 0.31 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 184 Cb 0.48 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3hfa h ALA 184 CO -0.46 -0.44 0.62 0.28 0.00 0.00 0.00 179.25 179.25 3hfa h VAL 185 N -0.47 1.13 0.09 0.00 2.07 -0.71 -0.35 116.25 118.01 3hfa h VAL 185 Ca -0.02 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3hfa h VAL 185 Cb 0.38 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3hfa h VAL 185 CO 0.03 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 177.79 3hfa h ALA 186 N 1.46 -0.12 -0.90 1.67 0.00 -1.05 -2.11 119.26 118.21 3hfa h ALA 186 Ca 0.39 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.30 3hfa h ALA 186 Cb 0.09 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3hfa h ALA 186 CO -0.14 -0.42 0.58 0.00 0.00 0.00 0.00 179.25 179.28 3hfa h ALA 187 N 0.45 1.87 -0.53 0.00 0.00 -0.68 -0.12 119.26 120.26 3hfa h ALA 187 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 187 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hfa h ALA 187 CO 0.02 -0.13 0.01 1.25 0.00 0.00 0.00 179.25 180.40 3hfa h LEU 188 N 0.66 0.86 -0.34 0.00 5.85 -0.81 -3.12 115.31 118.40 3hfa h LEU 188 Ca 0.46 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 59.01 3hfa h LEU 188 Cb 0.79 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3hfa h LEU 188 CO -0.21 0.92 0.06 0.03 -0.34 0.00 0.00 178.44 178.90 3hfa h ARG 189 N 0.83 0.18 -0.12 1.25 2.47 -0.32 -3.48 114.38 115.18 3hfa h ARG 189 Ca 0.16 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3hfa h ARG 189 Cb 0.48 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3hfa h ARG 189 CO 0.02 0.12 0.00 0.00 0.56 0.00 0.00 179.97 180.67 3hfa n ALA 190 N -2.40 0.17 0.00 0.04 0.00 -1.18 -5.09 120.51 112.05 3hfa n ALA 190 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hfa n ALA 190 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 0.13 0.00 -4.51 0.00 4.77 -1.26 -4.12 117.00 112.02 3hfa n LEU 203 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 3hfa n LEU 203 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3hfa n LEU 203 CO 0.00 0.00 -0.22 -0.83 -1.33 0.00 0.00 177.39 175.01 3hfa s GLY 204 N 0.00 2.47 0.46 -0.72 0.00 -1.26 -5.03 107.32 103.24 3hfa s GLY 204 Ca 0.00 -1.42 0.22 0.00 0.00 0.00 0.00 44.72 43.52 3hfa s GLY 204 CO 0.00 -1.85 1.88 -2.08 0.00 0.00 0.00 173.10 171.05 3hfa h VAL 205 N 1.86 0.66 0.00 1.40 2.07 -1.95 -0.18 116.25 120.11 3hfa h VAL 205 Ca -0.38 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hfa h VAL 205 Cb 1.27 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3hfa h VAL 205 CO 0.62 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.25 3hfa h ALA 206 N 1.61 1.00 0.00 1.67 0.00 -1.95 -3.15 119.26 118.44 3hfa h ALA 206 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hfa h ALA 206 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hfa h ALA 206 CO -0.11 0.00 -0.01 -1.13 0.00 0.00 0.00 179.25 178.00 3hfa n SER 207 N -2.50 1.90 -4.28 0.00 3.41 -0.11 -4.52 113.62 107.52 3hfa n SER 207 Ca 0.03 -2.08 -0.29 0.00 -0.26 0.00 0.00 58.87 56.27 3hfa n SER 207 Cb 0.33 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.18 2.09 -0.21 1.04 1.43 -1.00 -0.83 118.68 120.02 3hfa s LEU 208 Ca 0.04 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3hfa s LEU 208 Cb 0.04 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 3hfa s LEU 208 CO 0.00 0.26 -0.06 -0.70 0.23 0.00 0.00 176.35 176.09 3hfa s GLU 209 N -0.82 3.37 -0.01 1.70 2.12 -0.33 -4.78 118.70 119.95 3hfa s GLU 209 Ca 0.09 -0.63 0.05 0.00 0.36 0.00 0.00 54.97 54.84 3hfa s GLU 209 Cb -0.09 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 3hfa s GLU 209 CO 0.00 -0.15 -0.16 0.08 -0.54 0.00 0.00 175.26 174.49 3hfa s VAL 210 N 1.35 1.28 0.17 3.70 1.01 -1.26 -1.57 120.40 125.08 3hfa s VAL 210 Ca 0.04 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 3hfa s VAL 210 Cb -0.14 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.23 3hfa s VAL 210 CO -0.03 0.36 0.55 0.00 0.00 0.00 0.00 175.10 175.98 3hfa s ALA 211 N -0.37 -1.28 0.10 5.51 0.00 -0.97 -1.27 121.76 123.48 3hfa s ALA 211 Ca 0.06 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.23 3hfa s ALA 211 Cb -0.06 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3hfa s ALA 211 CO -0.01 -0.77 -0.10 0.14 0.00 0.00 0.00 175.76 175.03 3hfa s VAL 212 N -3.80 0.98 -0.54 0.00 -7.23 -0.15 -0.64 120.40 109.02 3hfa s VAL 212 Ca 0.04 -1.65 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 3hfa s VAL 212 Cb -0.01 -1.38 0.09 0.00 0.56 0.00 0.00 36.38 35.64 3hfa s VAL 212 CO -0.09 -0.55 0.61 -0.76 -0.31 0.00 0.00 175.10 173.99 3hfa s LEU 213 N -2.46 5.37 -0.54 1.32 1.43 0.71 -1.30 118.68 123.21 3hfa s LEU 213 Ca 0.06 -1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 51.68 3hfa s LEU 213 Cb -0.03 -2.32 0.06 0.00 0.03 0.00 0.00 46.19 43.93 3hfa s LEU 213 CO 0.00 -0.94 0.73 -0.62 0.23 0.00 0.00 176.35 175.76 3hfa s ASP 214 N 3.14 6.24 0.16 2.29 2.15 0.81 -1.51 116.67 129.94 3hfa s ASP 214 Ca 0.11 -0.85 0.15 0.00 0.43 0.00 0.00 52.55 52.38 3hfa s ASP 214 Cb -0.23 -2.34 0.70 0.00 -0.30 0.00 0.00 42.92 40.76 3hfa s ASP 214 CO 0.08 -1.04 1.45 0.00 -0.17 0.00 0.00 175.17 175.49 3hfa n ALA 215 N 6.61 1.29 0.74 3.66 0.00 -0.86 -1.62 120.51 130.33 3hfa n ALA 215 Ca -0.05 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3hfa n ALA 215 Cb 0.45 -1.23 0.36 0.00 0.00 0.00 0.00 19.45 19.04 3hfa n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hfa n ASN 216 N -1.90 0.57 -4.77 0.00 2.85 -1.26 -4.39 115.26 106.35 3hfa n ASN 216 Ca 0.01 0.32 -0.37 0.00 -0.11 0.00 0.00 54.58 54.43 3hfa n ASN 216 Cb 0.10 -0.32 -0.02 0.00 1.24 0.00 0.00 39.78 40.77 3hfa n ASN 216 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3hfa s ARG 217 N -3.08 4.00 0.06 1.20 1.81 -0.64 -4.98 118.95 117.30 3hfa s ARG 217 Ca 0.10 1.70 -0.24 0.00 -1.72 0.00 0.00 55.73 55.57 3hfa s ARG 217 Cb 0.15 -2.54 -0.17 0.00 -0.45 0.00 0.00 34.95 31.94 3hfa s ARG 217 CO 0.63 -0.33 1.58 -1.35 -0.68 0.00 0.00 175.30 175.15 3hfa h PRO 218 N 2.40 -0.07 0.00 3.54 0.11 -1.89 -3.39 132.00 132.70 3hfa h PRO 218 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfa h PRO 218 Cb 1.23 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hfa h PRO 218 CO 0.62 0.09 0.00 -2.13 -0.21 0.00 0.00 178.00 176.37 3hfa n ARG 219 N -5.05 0.00 -2.79 1.05 0.63 -1.26 -4.35 116.66 104.90 3hfa n ARG 219 Ca -0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 3hfa n ARG 219 Cb 0.12 -0.13 -0.04 0.00 0.45 0.00 0.00 32.46 32.86 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 -1.35 3.34 0.40 -0.14 0.52 -1.26 -4.40 118.95 116.06 3hfa s ARG 220 Ca 0.00 -0.21 0.22 0.00 -0.52 0.00 0.00 55.73 55.21 3hfa s ARG 220 Cb 0.00 -4.06 0.44 0.00 0.52 0.00 0.00 34.95 31.85 3hfa s ARG 220 CO 0.00 -1.56 1.63 0.00 0.02 0.00 0.00 175.30 175.38 3hfa h ALA 221 N 9.39 0.90 -2.43 2.13 0.00 -1.21 -3.45 119.26 124.59 3hfa h ALA 221 Ca -0.26 -0.17 -0.54 0.00 0.00 0.00 0.00 54.91 53.93 3hfa h ALA 221 Cb 1.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hfa h ALA 221 CO 1.12 0.24 0.65 0.12 0.00 0.00 0.00 179.25 181.38 3hfa s PHE 222 N -3.24 3.27 -0.14 0.00 5.36 -1.26 -0.14 117.98 121.84 3hfa s PHE 222 Ca 0.05 1.18 -0.09 0.00 -0.96 0.00 0.00 56.93 57.10 3hfa s PHE 222 Cb 0.07 -3.48 0.05 0.00 -0.34 0.00 0.00 43.02 39.31 3hfa s PHE 222 CO 0.68 -1.56 0.34 -0.98 -1.46 0.00 0.00 175.22 172.24 3hfa s ARG 223 N 1.56 0.35 0.37 10.12 1.70 -0.42 -4.96 118.95 127.67 3hfa s ARG 223 Ca 0.59 0.60 -0.21 0.00 -0.47 0.00 0.00 55.73 56.23 3hfa s ARG 223 Cb -0.29 0.04 -0.10 0.00 -0.57 0.00 0.00 34.95 34.03 3hfa s ARG 223 CO 0.27 -0.11 0.90 1.03 -1.08 0.00 0.00 175.30 176.31 3hfa s ARG 224 N 0.86 4.30 -0.29 3.89 0.52 -1.26 -0.98 118.95 125.99 3hfa s ARG 224 Ca -0.05 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 3hfa s ARG 224 Cb -0.06 -2.44 0.06 0.00 0.52 0.00 0.00 34.95 33.03 3hfa s ARG 224 CO -0.06 0.11 -0.04 0.42 0.02 0.00 0.00 175.30 175.75 3hfa s ILE 225 N -1.95 2.63 0.24 1.52 1.01 -0.39 -4.93 121.20 119.32 3hfa s ILE 225 Ca 0.56 -1.53 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3hfa s ILE 225 Cb -0.12 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3hfa s ILE 225 CO 0.17 -0.10 0.02 0.42 0.00 0.00 0.00 174.94 175.45 3hfa s THR 226 N 1.18 0.92 0.00 2.92 -4.23 -1.26 -4.25 115.64 110.92 3hfa s THR 226 Ca -0.06 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3hfa s THR 226 Cb -0.20 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3hfa s THR 226 CO -0.03 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3hfa n GLY 227 N -0.43 3.11 0.19 3.99 0.00 -1.26 -2.59 105.19 108.21 3hfa n GLY 227 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 -0.47 1.61 4.64 -1.98 -0.67 113.55 116.89 3hfa h SER 228 Ca 0.00 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.41 3hfa h SER 228 Cb 0.00 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 3hfa h SER 228 CO 0.00 0.16 0.21 0.00 -0.87 0.00 0.00 176.83 176.32 3hfa h ALA 229 N 1.28 0.59 -0.82 5.18 0.00 -1.91 -0.05 119.26 123.54 3hfa h ALA 229 Ca 0.21 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 229 Cb 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hfa h ALA 229 CO -0.19 -0.16 0.35 1.25 0.00 0.00 0.00 179.25 180.49 3hfa h LEU 230 N 0.41 1.11 -0.75 0.00 5.85 -1.16 -2.17 115.31 118.60 3hfa h LEU 230 Ca 0.22 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3hfa h LEU 230 Cb 0.17 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3hfa h LEU 230 CO -0.18 0.96 0.46 -0.61 -0.34 0.00 0.00 178.44 178.73 3hfa h GLN 231 N 1.18 0.84 -0.48 1.25 5.75 -0.21 -2.52 115.11 120.92 3hfa h GLN 231 Ca 0.27 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3hfa h GLN 231 Cb 0.18 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3hfa h GLN 231 CO -0.03 0.56 0.32 0.00 -2.65 0.00 0.00 178.83 177.03 3hfa h ALA 232 N 1.35 1.67 0.00 3.38 0.00 -0.38 -1.88 119.26 123.39 3hfa h ALA 232 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hfa h ALA 232 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 232 CO -0.15 0.31 -0.08 -0.07 0.00 0.00 0.00 179.25 179.26 3hfa h LEU 233 N 0.64 0.00 0.00 0.00 4.07 -1.25 -3.52 115.31 115.25 3hfa h LEU 233 Ca 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3hfa h LEU 233 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3hfa h LEU 233 CO -0.04 0.01 0.00 0.18 -1.08 0.00 0.00 178.44 177.51