#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 1.12 -0.62 3.17 4.81 -2.06 -2.74 114.58 118.27 3hfa h GLU 10 Ca 0.00 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3hfa h GLU 10 Cb 0.00 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3hfa h GLU 10 CO 0.00 0.95 0.21 0.37 -0.73 0.00 0.00 179.01 179.81 3hfa h GLN 11 N 1.07 0.96 -0.69 1.92 4.15 -2.06 -2.53 115.11 117.93 3hfa h GLN 11 Ca 0.24 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3hfa h GLN 11 Cb 0.27 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3hfa h GLN 11 CO -0.01 0.84 0.30 0.00 -1.93 0.00 0.00 178.83 178.02 3hfa h ALA 12 N 1.07 0.89 -0.59 3.38 0.00 -1.96 -1.50 119.26 120.55 3hfa h ALA 12 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 12 Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hfa h ALA 12 CO -0.01 0.48 0.13 0.52 0.00 0.00 0.00 179.25 180.38 3hfa h MET 13 N 0.97 0.93 -0.59 0.00 2.86 -1.41 -0.91 114.93 116.77 3hfa h MET 13 Ca 0.23 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3hfa h MET 13 Cb 0.17 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3hfa h MET 13 CO -0.02 0.84 0.22 -0.09 1.06 0.00 0.00 176.91 178.92 3hfa h ARG 14 N 0.89 0.90 -0.21 1.72 2.43 -1.00 -1.69 114.38 117.42 3hfa h ARG 14 Ca 0.19 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3hfa h ARG 14 Cb 0.34 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hfa h ARG 14 CO 0.00 0.78 -0.45 0.93 -1.51 0.00 0.00 179.97 179.72 3hfa h GLU 15 N 0.83 0.52 -0.65 0.20 5.08 -0.97 -1.06 114.58 118.52 3hfa h GLU 15 Ca 0.20 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3hfa h GLU 15 Cb 0.23 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3hfa h GLU 15 CO -0.01 0.86 0.08 0.00 -1.00 0.00 0.00 179.01 178.95 3hfa h ARG 16 N 0.42 1.10 -0.55 2.33 3.08 -1.02 -0.97 114.38 118.77 3hfa h ARG 16 Ca 0.03 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.66 3hfa h ARG 16 Cb 0.95 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3hfa h ARG 16 CO 0.08 1.02 -0.10 1.03 -1.07 0.00 0.00 179.97 180.93 3hfa h SER 17 N 1.02 1.04 -0.71 7.04 0.87 -1.10 -2.72 113.55 118.98 3hfa h SER 17 Ca 0.20 -0.35 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 3hfa h SER 17 Cb 0.47 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3hfa h SER 17 CO 0.02 1.14 0.18 -0.08 -0.53 0.00 0.00 176.83 177.56 3hfa h GLU 18 N 0.91 1.13 -0.31 2.24 4.57 -0.97 -1.55 114.58 120.61 3hfa h GLU 18 Ca 0.14 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 3hfa h GLU 18 Cb 0.67 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3hfa h GLU 18 CO 0.05 0.99 -0.03 1.25 -1.18 0.00 0.00 179.01 180.09 3hfa h LEU 19 N 1.07 0.56 -0.18 1.64 6.46 -1.09 -2.17 115.31 121.61 3hfa h LEU 19 Ca 0.23 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 3hfa h LEU 19 Cb 0.36 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3hfa h LEU 19 CO 0.00 0.76 -0.01 0.00 -0.62 0.00 0.00 178.44 178.57 3hfa h ALA 20 N 0.82 0.24 -0.76 1.25 0.00 -1.44 -2.11 119.26 117.25 3hfa h ALA 20 Ca 0.08 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 20 Cb 0.49 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3hfa h ALA 20 CO 0.02 -0.05 0.44 -0.09 0.00 0.00 0.00 179.25 179.57 3hfa h ARG 21 N 0.06 0.76 -0.28 0.00 2.43 -1.29 -1.40 114.38 114.65 3hfa h ARG 21 Ca 0.05 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3hfa h ARG 21 Cb 0.40 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3hfa h ARG 21 CO 0.01 0.50 -0.01 0.87 -1.51 0.00 0.00 179.97 179.83 3hfa h LYS 22 N 0.78 0.50 -0.56 0.20 1.57 -1.30 -0.93 116.57 116.84 3hfa h LYS 22 Ca 0.35 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3hfa h LYS 22 Cb 0.24 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3hfa h LYS 22 CO -0.20 0.66 0.33 0.78 -0.57 0.00 0.00 179.45 180.45 3hfa h GLY 23 N 0.29 0.79 0.93 3.86 0.00 -0.97 -1.40 103.07 106.57 3hfa h GLY 23 Ca 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3hfa h GLY 23 CO 0.02 0.19 -0.06 -2.22 0.00 0.00 0.00 176.54 174.46 3hfa h ILE 24 N 0.64 1.27 0.00 2.60 2.04 -1.18 -2.31 117.51 120.57 3hfa h ILE 24 Ca 0.23 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3hfa h ILE 24 Cb 0.05 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3hfa h ILE 24 CO -0.11 0.36 -0.02 0.00 0.00 0.00 0.00 178.15 178.39 3hfa h ALA 25 N 0.83 1.26 -0.00 1.87 0.00 -0.87 -0.19 119.26 122.16 3hfa h ALA 25 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 25 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hfa h ALA 25 CO 0.03 0.02 -0.34 -2.13 0.00 0.00 0.00 179.25 176.83 3hfa n ARG 26 N -3.48 0.31 -2.60 0.00 0.63 -0.55 -3.79 116.66 107.17 3hfa n ARG 26 Ca -0.03 -0.16 -0.22 0.00 -0.92 0.00 0.00 57.85 56.51 3hfa n ARG 26 Cb 0.11 -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 3.72 0.62 5.13 0.00 -0.36 -4.89 121.76 123.18 3hfa s ALA 27 Ca 0.17 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 3hfa s ALA 27 Cb 0.18 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3hfa s ALA 27 CO 0.61 -0.79 1.04 0.15 0.00 0.00 0.00 175.76 176.77 3hfa s LYS 28 N -4.83 3.31 0.32 0.00 1.02 -1.26 -1.69 119.74 116.62 3hfa s LYS 28 Ca 0.56 1.01 -0.01 0.00 0.02 0.00 0.00 55.97 57.55 3hfa s LYS 28 Cb -0.10 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3hfa s LYS 28 CO 0.40 -0.80 0.54 -1.12 -0.92 0.00 0.00 175.35 173.45 3hfa s SER 29 N -3.39 6.34 -0.03 2.83 0.01 -1.26 -4.29 113.70 113.90 3hfa s SER 29 Ca 0.60 0.53 -0.05 0.00 1.31 0.00 0.00 55.95 58.33 3hfa s SER 29 Cb -0.14 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.04 3hfa s SER 29 CO 0.45 -0.26 0.13 -0.69 0.41 0.00 0.00 173.24 173.28 3hfa s VAL 30 N -2.24 0.03 0.06 3.43 1.01 0.41 -1.68 120.40 121.42 3hfa s VAL 30 Ca 0.41 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.17 3hfa s VAL 30 Cb -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 3hfa s VAL 30 CO 0.34 -0.15 -0.14 0.68 0.00 0.00 0.00 175.10 175.83 3hfa s VAL 31 N -0.47 1.10 -0.07 2.92 -7.23 -0.10 -0.84 120.40 115.69 3hfa s VAL 31 Ca -0.06 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.97 3hfa s VAL 31 Cb -0.04 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.88 3hfa s VAL 31 CO 0.01 -0.13 -0.15 0.00 -0.31 0.00 0.00 175.10 174.52 3hfa s ALA 32 N -1.10 1.46 -0.06 1.32 0.00 -0.34 -1.36 121.76 121.68 3hfa s ALA 32 Ca -0.01 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.44 3hfa s ALA 32 Cb -0.09 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3hfa s ALA 32 CO 0.02 0.13 -0.14 -0.51 0.00 0.00 0.00 175.76 175.26 3hfa s LEU 33 N 0.63 1.73 0.39 0.00 1.02 -0.06 -0.97 118.68 121.44 3hfa s LEU 33 Ca -0.15 -0.32 -0.25 0.00 0.02 0.00 0.00 54.13 53.43 3hfa s LEU 33 Cb -0.16 -0.87 -0.09 0.00 0.02 0.00 0.00 46.19 45.09 3hfa s LEU 33 CO 0.04 0.07 1.13 0.00 0.02 0.00 0.00 176.35 177.61 3hfa s ALA 34 N 0.50 3.15 0.30 4.21 0.00 -0.40 -0.63 121.76 128.89 3hfa s ALA 34 Ca -0.12 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 3hfa s ALA 34 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3hfa s ALA 34 CO 0.04 -0.43 0.47 1.52 0.00 0.00 0.00 175.76 177.36 3hfa s TYR 35 N -1.46 0.76 0.26 0.00 -0.85 0.18 -4.62 117.35 111.61 3hfa s TYR 35 Ca 0.57 -1.07 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 3hfa s TYR 35 Cb -0.28 0.04 0.34 0.00 0.38 0.00 0.00 41.96 42.43 3hfa s TYR 35 CO 0.36 -1.08 1.91 0.00 -1.52 0.00 0.00 175.55 175.21 3hfa h ALA 36 N 2.19 1.34 -0.01 9.51 0.00 -1.59 -2.35 119.26 128.35 3hfa h ALA 36 Ca -0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hfa h ALA 36 Cb 1.24 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hfa h ALA 36 CO 0.39 0.55 -0.12 0.41 0.00 0.00 0.00 179.25 180.48 3hfa n GLY 37 N -1.37 -0.47 0.00 0.00 0.00 -1.26 -5.02 105.19 97.07 3hfa n GLY 37 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3hfa n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 38 N 1.25 0.28 3.39 -0.02 0.00 -0.89 -1.78 105.19 107.43 3hfa n GLY 38 Ca 0.16 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.00 2.79 -0.15 1.61 1.01 -0.78 0.47 120.40 121.35 3hfa s VAL 39 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3hfa s VAL 39 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hfa s VAL 39 CO 0.00 0.57 -0.05 -0.22 0.00 0.00 0.00 175.10 175.40 3hfa s LEU 40 N -0.32 3.17 -0.16 3.92 2.96 0.20 -0.40 118.68 128.04 3hfa s LEU 40 Ca 0.02 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3hfa s LEU 40 Cb -0.13 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3hfa s LEU 40 CO 0.02 0.18 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.82 3hfa s PHE 41 N 0.30 2.98 -0.06 5.38 0.08 0.12 -0.88 117.98 125.91 3hfa s PHE 41 Ca -0.05 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 3hfa s PHE 41 Cb -0.14 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3hfa s PHE 41 CO 0.03 -0.14 -0.01 0.08 -0.10 0.00 0.00 175.22 175.08 3hfa s VAL 42 N 0.54 0.38 -0.01 -0.44 1.01 -0.46 -2.20 120.40 119.22 3hfa s VAL 42 Ca -0.04 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3hfa s VAL 42 Cb -0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3hfa s VAL 42 CO 0.03 0.24 -0.14 0.00 0.00 0.00 0.00 175.10 175.23 3hfa s ALA 43 N 1.67 1.15 -0.17 5.51 0.00 -0.49 -0.93 121.76 128.50 3hfa s ALA 43 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 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 -0.04 0.28 1.96 -1.21 0.00 0.00 0.00 175.76 176.75 3hfa s GLU 44 N -0.38 3.55 -0.26 0.00 2.02 -0.68 -1.12 118.70 121.84 3hfa s GLU 44 Ca 0.05 2.00 -0.02 0.00 0.02 0.00 0.00 54.97 57.03 3hfa s GLU 44 Cb -0.05 -4.22 0.15 0.00 0.10 0.00 0.00 34.13 30.11 3hfa s GLU 44 CO -0.00 -1.61 0.44 1.21 0.02 0.00 0.00 175.26 175.31 3hfa s ASN 45 N 6.13 -0.15 0.17 -0.19 3.84 0.21 -4.66 114.94 120.29 3hfa s ASN 45 Ca 0.88 0.30 -0.00 0.00 0.21 0.00 0.00 52.86 54.25 3hfa s ASN 45 Cb -0.32 1.37 0.02 0.00 -0.55 0.00 0.00 41.25 41.77 3hfa s ASN 45 CO 0.35 -0.30 1.39 -0.65 -2.79 0.00 0.00 177.10 175.11 3hfa h PRO 46 N 8.14 0.31 -6.96 0.43 0.11 -1.79 -3.19 132.00 129.05 3hfa h PRO 46 Ca -0.19 -0.30 -0.56 0.00 0.11 0.00 0.00 66.00 65.07 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 0.27 0.98 0.54 0.45 -0.21 0.00 0.00 178.00 180.02 3hfa n SER 47 N -3.75 2.55 0.07 -2.05 2.88 -1.26 -4.78 113.62 107.28 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 0.77 -1.54 -0.13 0.00 -0.75 0.00 0.00 64.21 62.55 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 1.62 0.14 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.44 3hfa h ARG 48 Ca -0.50 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.35 3hfa h ARG 48 Cb 1.30 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.47 3hfa h ARG 48 CO 0.58 1.04 -0.45 -1.13 0.10 0.00 0.00 179.97 180.10 3hfa n SER 49 N -3.39 2.26 -4.74 0.08 3.41 -1.26 -5.00 113.62 104.98 3hfa n SER 49 Ca -0.08 -0.12 -0.39 0.00 -0.26 0.00 0.00 58.87 58.02 3hfa n SER 49 Cb 1.00 0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 65.58 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 -1.82 4.38 0.01 1.04 1.43 -1.26 -5.06 118.68 117.40 3hfa s LEU 50 Ca 0.00 1.22 0.08 0.00 -1.03 0.00 0.00 54.13 54.40 3hfa s LEU 50 Cb 0.00 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 3hfa s LEU 50 CO 0.00 -0.01 -0.24 -1.10 0.23 0.00 0.00 176.35 175.23 3hfa s GLN 51 N 0.29 1.79 0.00 1.70 -0.21 -1.26 -4.78 119.66 117.18 3hfa s GLN 51 Ca 0.35 -0.92 0.05 0.00 0.02 0.00 0.00 55.36 54.86 3hfa s GLN 51 Cb -0.18 -1.81 0.05 0.00 1.00 0.00 0.00 33.01 32.07 3hfa s GLN 51 CO 0.19 0.49 0.72 0.36 -2.12 0.00 0.00 175.29 174.92 3hfa n LYS 52 N 2.21 0.14 -4.94 2.91 2.85 -1.26 -4.97 118.16 115.09 3hfa n LYS 52 Ca -0.16 -0.93 -0.27 0.00 -1.05 0.00 0.00 58.31 55.89 3hfa n LYS 52 Cb 0.52 -1.10 -0.15 0.00 -0.65 0.00 0.00 35.03 33.64 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 -0.51 1.67 0.03 0.58 1.01 -1.26 -1.28 121.20 121.44 3hfa s ILE 53 Ca 0.07 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 3hfa s ILE 53 Cb 0.05 -1.40 0.07 0.00 0.01 0.00 0.00 42.46 41.18 3hfa s ILE 53 CO 0.07 0.41 0.64 -0.55 0.00 0.00 0.00 174.94 175.51 3hfa s SER 54 N -0.65 -0.61 0.33 3.58 0.15 0.19 -5.00 113.70 111.69 3hfa s SER 54 Ca 0.08 0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.87 3hfa s SER 54 Cb -0.08 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 3hfa s SER 54 CO -0.00 -0.75 1.09 -0.70 1.20 0.00 0.00 173.24 174.08 3hfa s GLU 55 N -2.23 4.44 -0.12 5.44 2.12 -1.26 -0.62 118.70 126.48 3hfa s GLU 55 Ca -0.06 1.72 -0.05 0.00 0.36 0.00 0.00 54.97 56.94 3hfa s GLU 55 Cb -0.00 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 3hfa s GLU 55 CO 0.01 0.05 -0.14 1.28 -0.54 0.00 0.00 175.26 175.92 3hfa n LEU 56 N 0.70 1.16 0.00 2.70 4.77 -0.43 -4.85 117.00 121.05 3hfa n LEU 56 Ca 0.01 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3hfa n LEU 56 Cb 0.46 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3hfa n LEU 56 CO 0.51 0.31 0.25 0.00 -1.33 0.00 0.00 177.39 177.13 3hfa n TYR 57 N -3.41 -1.60 -0.39 -1.77 9.36 -0.95 -4.75 117.16 113.66 3hfa n TYR 57 Ca -0.22 -1.71 -0.06 0.00 3.32 0.00 0.00 57.90 59.22 3hfa n TYR 57 Cb 0.67 0.56 -0.03 0.00 -0.63 0.00 0.00 39.34 39.91 3hfa n TYR 57 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3hfa n ASP 58 N -1.60 -0.83 -0.50 2.98 8.00 -1.26 -1.85 116.55 121.49 3hfa n ASP 58 Ca -0.03 1.70 0.06 0.00 0.71 0.00 0.00 54.79 57.23 3hfa n ASP 58 Cb 0.47 -0.30 0.15 0.00 -0.02 0.00 0.00 41.12 41.42 3hfa n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hfa n ARG 59 N -5.30 2.73 -5.13 -1.24 5.12 -1.26 -0.88 116.66 110.69 3hfa n ARG 59 Ca 0.06 -2.19 -0.31 0.00 -1.93 0.00 0.00 57.85 53.48 3hfa n ARG 59 Cb 0.31 -1.38 -0.17 0.00 -1.16 0.00 0.00 32.46 30.07 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 -1.66 1.92 0.39 1.55 1.01 -0.77 -1.89 120.40 120.94 3hfa s VAL 60 Ca 0.24 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3hfa s VAL 60 Cb 0.17 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 3hfa s VAL 60 CO 0.09 0.53 0.01 -0.83 0.00 0.00 0.00 175.10 174.91 3hfa s GLY 61 N 0.30 2.42 -0.02 4.51 0.00 0.16 -1.32 107.32 113.37 3hfa s GLY 61 Ca -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 44.72 42.29 3hfa s GLY 61 CO 0.07 -2.05 0.06 -0.12 0.00 0.00 0.00 173.10 171.07 3hfa s PHE 62 N -2.81 -0.05 0.00 1.90 5.36 0.21 -1.61 117.98 120.98 3hfa s PHE 62 Ca 0.35 0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 56.45 3hfa s PHE 62 Cb 0.09 -0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.74 3hfa s PHE 62 CO 0.17 -0.05 0.08 0.00 -1.46 0.00 0.00 175.22 173.97 3hfa s ALA 63 N 0.33 -0.19 0.02 11.12 0.00 -0.51 -0.64 121.76 131.90 3hfa s ALA 63 Ca -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 3hfa s ALA 63 Cb -0.04 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3hfa s ALA 63 CO -0.01 -0.17 0.15 0.00 0.00 0.00 0.00 175.76 175.73 3hfa s ALA 64 N -1.18 -0.31 0.09 0.00 0.00 -0.40 -0.26 121.76 119.70 3hfa s ALA 64 Ca -0.13 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.69 3hfa s ALA 64 Cb -0.07 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3hfa s ALA 64 CO 0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 175.76 175.30 3hfa s ALA 65 N -1.85 1.72 0.00 0.00 0.00 -0.58 -4.86 121.76 116.18 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 -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3hfa s ALA 65 CO -0.00 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3hfa n GLY 66 N 1.22 0.29 3.66 0.00 0.00 -1.26 -1.42 105.19 107.68 3hfa n GLY 66 Ca -0.19 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.27 4.23 0.09 1.61 2.20 -0.51 -4.90 119.74 122.20 3hfa s LYS 67 Ca 0.00 1.67 -0.23 0.00 -0.36 0.00 0.00 55.97 57.05 3hfa s LYS 67 Cb 0.00 -3.77 -0.14 0.00 -1.51 0.00 0.00 37.83 32.42 3hfa s LYS 67 CO 0.00 -0.71 1.73 0.35 -0.36 0.00 0.00 175.35 176.36 3hfa h PHE 68 N 8.23 -0.08 -0.51 4.03 3.57 -1.95 -1.52 116.94 128.72 3hfa h PHE 68 Ca -0.27 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.34 3hfa h PHE 68 Cb 1.10 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 3hfa h PHE 68 CO 0.80 -0.05 0.35 -2.95 -2.23 0.00 0.00 178.31 174.23 3hfa h ASN 69 N -0.07 0.22 0.04 0.41 7.08 -1.99 0.97 115.58 122.25 3hfa h ASN 69 Ca 0.01 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.14 3hfa h ASN 69 Cb 0.07 -0.04 0.01 0.00 -2.08 0.00 0.00 38.32 36.28 3hfa h ASN 69 CO -0.02 0.13 -0.40 -0.33 -2.08 0.00 0.00 177.43 174.74 3hfa h GLU 70 N 0.25 0.19 0.00 4.14 5.08 -1.78 -2.60 114.58 119.86 3hfa h GLU 70 Ca 0.24 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3hfa h GLU 70 Cb 0.60 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3hfa h GLU 70 CO -0.05 1.06 -0.18 0.27 -1.00 0.00 0.00 179.01 179.11 3hfa h PHE 71 N -0.55 0.00 -0.35 4.33 -5.15 -1.04 -2.68 116.94 111.51 3hfa h PHE 71 Ca -0.06 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.56 3hfa h PHE 71 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.39 3hfa h PHE 71 CO 0.21 0.18 -0.38 0.22 -2.00 0.00 0.00 178.31 176.54 3hfa h ASP 72 N 0.00 0.87 -0.39 -0.68 3.58 -0.89 0.44 116.42 119.35 3hfa h ASP 72 Ca -0.00 -0.39 0.07 0.00 0.42 0.00 0.00 57.03 57.13 3hfa h ASP 72 Cb 0.87 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.62 3hfa h ASP 72 CO 0.02 1.14 -0.01 0.78 -2.88 0.00 0.00 179.24 178.30 3hfa h ASN 73 N 0.67 -0.18 -0.14 2.28 2.35 -1.22 -0.96 115.58 118.38 3hfa h ASN 73 Ca 0.06 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 3hfa h ASN 73 Cb 0.94 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3hfa h ASN 73 CO 0.09 -0.05 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.50 3hfa h LEU 74 N 0.09 0.60 0.27 1.61 3.38 -1.23 -0.63 115.31 119.40 3hfa h LEU 74 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hfa h LEU 74 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hfa h LEU 74 CO -0.33 0.83 -0.26 -0.09 0.09 0.00 0.00 178.44 178.68 3hfa h ARG 75 N 0.52 -0.53 -0.79 1.13 2.43 -0.56 -0.55 114.38 116.02 3hfa h ARG 75 Ca 0.07 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3hfa h ARG 75 Cb 0.70 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 3hfa h ARG 75 CO 0.05 -0.36 0.50 0.00 -1.51 0.00 0.00 179.97 178.66 3hfa h ARG 76 N -0.55 1.06 -0.86 0.20 3.08 -0.94 -1.56 114.38 114.80 3hfa h ARG 76 Ca -0.01 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3hfa h ARG 76 Cb 0.51 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3hfa h ARG 76 CO -0.04 0.72 0.42 0.78 -1.07 0.00 0.00 179.97 180.78 3hfa h GLY 77 N 1.09 1.32 0.99 0.04 0.00 -0.81 -0.60 103.07 105.10 3hfa h GLY 77 Ca 0.29 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3hfa h GLY 77 CO -0.06 0.61 -0.21 -1.33 0.00 0.00 0.00 176.54 175.55 3hfa h GLY 78 N 1.22 0.82 1.05 4.60 0.00 -0.48 0.08 103.07 110.36 3hfa h GLY 78 Ca 0.30 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3hfa h GLY 78 CO -0.04 0.70 0.21 -2.22 0.00 0.00 0.00 176.54 175.19 3hfa h ILE 79 N 0.53 1.26 -0.36 2.60 2.04 -1.10 0.21 117.51 122.70 3hfa h ILE 79 Ca 0.07 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.02 3hfa h ILE 79 Cb 0.77 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3hfa h ILE 79 CO 0.06 0.36 0.23 -0.61 0.00 0.00 0.00 178.15 178.19 3hfa h GLN 80 N 1.08 0.46 0.01 2.37 5.75 -0.94 -0.93 115.11 122.91 3hfa h GLN 80 Ca 0.23 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3hfa h GLN 80 Cb 0.32 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.77 3hfa h GLN 80 CO -0.00 0.30 -0.00 0.35 -2.65 0.00 0.00 178.83 176.82 3hfa h PHE 81 N 0.47 -0.01 0.07 3.99 3.57 -0.35 -2.06 116.94 122.63 3hfa h PHE 81 Ca 0.13 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hfa h PHE 81 Cb -0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3hfa h PHE 81 CO -0.06 0.11 -0.03 0.00 -2.23 0.00 0.00 178.31 176.10 3hfa h ALA 82 N 0.87 -0.09 -0.48 2.41 0.00 -0.50 -1.05 119.26 120.42 3hfa h ALA 82 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hfa h ALA 82 Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 82 CO 0.00 -0.55 0.17 -0.44 0.00 0.00 0.00 179.25 178.43 3hfa h ASP 83 N -0.09 0.63 -0.04 0.00 3.32 -1.16 -0.40 116.42 118.68 3hfa h ASP 83 Ca -0.01 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3hfa h ASP 83 Cb 0.07 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3hfa h ASP 83 CO 0.01 0.60 -0.01 0.74 -1.72 0.00 0.00 179.24 178.86 3hfa h THR 84 N 0.69 1.30 -0.23 0.35 2.02 -1.15 -1.96 112.91 113.93 3hfa h THR 84 Ca 0.16 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.47 3hfa h THR 84 Cb 0.18 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 3hfa h THR 84 CO -0.01 0.24 0.03 0.03 0.37 0.00 0.00 175.52 176.18 3hfa h ARG 85 N -0.29 0.11 -0.93 6.66 2.47 -0.93 0.12 114.38 121.59 3hfa h ARG 85 Ca 0.01 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 3hfa h ARG 85 Cb 0.40 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.63 3hfa h ARG 85 CO 0.00 0.07 0.60 0.78 0.56 0.00 0.00 179.97 181.99 3hfa h GLY 86 N 0.11 1.39 1.39 0.04 0.00 -1.09 0.13 103.07 105.04 3hfa h GLY 86 Ca 0.10 -0.41 -0.25 0.00 0.00 0.00 0.00 47.33 46.77 3hfa h GLY 86 CO -0.15 0.26 -0.99 -1.82 0.00 0.00 0.00 176.54 173.84 3hfa h TYR 87 N 1.01 0.82 -0.00 5.60 3.20 -0.97 -3.07 116.97 123.55 3hfa h TYR 87 Ca 0.42 -0.45 -0.15 0.00 3.14 0.00 0.00 58.73 61.69 3hfa h TYR 87 Cb 0.29 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3hfa h TYR 87 CO -0.00 1.28 -0.71 0.00 -1.64 0.00 0.00 178.16 177.08 3hfa h ALA 88 N 0.58 0.81 -3.00 1.82 0.00 -0.55 -3.44 119.26 115.48 3hfa h ALA 88 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3hfa h ALA 88 Cb 1.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hfa h ALA 88 CO 0.18 0.88 0.00 0.66 0.00 0.00 0.00 179.25 180.98 3hfa n TYR 89 N -3.70 0.00 -3.91 0.00 4.01 0.41 -5.08 117.16 108.88 3hfa n TYR 89 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3hfa n TYR 89 Cb 0.70 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.64 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 0.46 0.19 0.25 7.72 2.15 -1.16 -4.96 116.67 121.31 3hfa s ASP 90 Ca 0.00 -0.66 -0.04 0.00 0.43 0.00 0.00 52.55 52.27 3hfa s ASP 90 Cb 0.00 0.29 0.47 0.00 -0.30 0.00 0.00 42.92 43.38 3hfa s ASP 90 CO 0.00 -0.65 1.69 0.03 -0.17 0.00 0.00 175.17 176.07 3hfa h ARG 91 N 3.06 0.29 0.00 4.34 3.08 -1.88 0.41 114.38 123.68 3hfa h ARG 91 Ca -0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hfa h ARG 91 Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3hfa h ARG 91 CO 0.56 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 180.19 3hfa n ARG 92 N -5.13 0.02 0.01 0.04 5.12 -1.26 -1.52 116.66 113.93 3hfa n ARG 92 Ca 0.15 0.40 0.12 0.00 -1.93 0.00 0.00 57.85 56.58 3hfa n ARG 92 Cb 0.46 -1.55 0.29 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 -1.59 0.46 -4.69 0.55 8.00 0.14 -4.82 116.55 114.59 3hfa n ASP 93 Ca 0.02 -0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 3hfa n ASP 93 Cb 0.09 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 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 -3.02 4.93 0.13 2.53 1.01 -0.58 -5.01 120.40 120.38 3hfa s VAL 94 Ca 0.11 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.79 3hfa s VAL 94 Cb 0.17 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3hfa s VAL 94 CO 0.68 0.12 -0.10 0.42 0.00 0.00 0.00 175.10 176.22 3hfa s THR 95 N 1.50 1.07 0.23 3.92 -4.23 -1.26 -4.98 115.64 111.89 3hfa s THR 95 Ca 0.41 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.89 3hfa s THR 95 Cb -0.18 -1.74 0.16 0.00 1.34 0.00 0.00 72.50 72.09 3hfa s THR 95 CO 0.17 -0.73 1.79 1.23 -0.54 0.00 0.00 174.62 176.55 3hfa h GLY 96 N 2.96 1.22 0.75 3.99 0.00 -1.93 -2.06 103.07 107.99 3hfa h GLY 96 Ca -0.37 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 46.33 3hfa h GLY 96 CO 0.62 0.63 0.16 -0.09 0.00 0.00 0.00 176.54 177.86 3hfa h ARG 97 N 1.10 0.33 -0.24 4.80 2.43 -1.96 0.14 114.38 120.99 3hfa h ARG 97 Ca 0.25 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3hfa h ARG 97 Cb 0.23 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3hfa h ARG 97 CO -0.02 0.22 0.01 0.37 -1.51 0.00 0.00 179.97 179.04 3hfa h GLN 98 N 0.34 0.08 -0.57 0.20 4.15 -1.86 0.90 115.11 118.35 3hfa h GLN 98 Ca 0.17 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 3hfa h GLN 98 Cb 0.11 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3hfa h GLN 98 CO -0.14 0.06 0.15 -0.07 -1.93 0.00 0.00 178.83 176.89 3hfa h LEU 99 N 0.09 0.85 -0.61 -2.39 3.38 -0.94 -1.63 115.31 114.05 3hfa h LEU 99 Ca 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hfa h LEU 99 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3hfa h LEU 99 CO -0.18 0.86 0.37 0.00 0.09 0.00 0.00 178.44 179.58 3hfa h ALA 100 N 1.03 0.78 -0.63 1.53 0.00 -0.40 -1.07 119.26 120.51 3hfa h ALA 100 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 100 Cb 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 100 CO 0.00 0.27 0.38 -0.97 0.00 0.00 0.00 179.25 178.93 3hfa h ASN 101 N 0.83 0.61 0.40 0.00 -0.73 -0.58 -0.34 115.58 115.77 3hfa h ASN 101 Ca 0.22 0.01 -0.14 0.00 1.87 0.00 0.00 56.30 58.25 3hfa h ASN 101 Cb -0.01 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 3hfa h ASN 101 CO -0.04 0.42 -0.61 1.62 -0.37 0.00 0.00 177.43 178.46 3hfa h VAL 102 N 0.74 1.39 -0.46 2.57 3.04 -0.94 -2.07 116.25 120.51 3hfa h VAL 102 Ca 0.26 -2.00 -0.09 0.00 -1.01 0.00 0.00 66.70 63.86 3hfa h VAL 102 Cb 0.05 2.02 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 3hfa h VAL 102 CO -0.12 0.59 -0.07 1.88 -1.01 0.00 0.00 177.57 178.84 3hfa h TYR 103 N 0.15 0.96 -0.22 3.17 0.05 -0.80 -0.67 116.97 119.62 3hfa h TYR 103 Ca -0.01 -0.19 0.04 0.00 0.05 0.00 0.00 58.73 58.62 3hfa h TYR 103 Cb 1.11 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.56 3hfa h TYR 103 CO 0.02 0.94 -0.04 0.00 -1.05 0.00 0.00 178.16 178.02 3hfa h ALA 104 N 0.89 0.15 -0.61 3.88 0.00 -0.83 0.22 119.26 122.96 3hfa h ALA 104 Ca 0.12 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 104 Cb 0.60 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3hfa h ALA 104 CO 0.04 -0.47 0.22 0.37 0.00 0.00 0.00 179.25 179.41 3hfa h GLN 105 N 0.01 0.92 0.07 0.00 4.15 -1.31 -0.53 115.11 118.42 3hfa h GLN 105 Ca 0.10 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3hfa h GLN 105 Cb 0.16 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3hfa h GLN 105 CO -0.22 0.80 -0.03 1.15 -1.93 0.00 0.00 178.83 178.60 3hfa h THR 106 N 0.85 1.09 -0.41 2.39 2.02 -0.62 -1.90 112.91 116.33 3hfa h THR 106 Ca 0.20 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 3hfa h THR 106 Cb 0.24 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3hfa h THR 106 CO -0.01 0.14 0.03 -0.07 0.37 0.00 0.00 175.52 175.97 3hfa h LEU 107 N -0.33 0.61 -0.37 2.58 3.38 -0.56 -0.39 115.31 120.23 3hfa h LEU 107 Ca -0.01 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hfa h LEU 107 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hfa h LEU 107 CO 0.02 0.66 0.20 1.23 0.09 0.00 0.00 178.44 180.63 3hfa h GLY 108 N 0.90 0.51 0.92 0.83 0.00 -1.00 0.26 103.07 105.49 3hfa h GLY 108 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3hfa h GLY 108 CO 0.01 0.12 0.11 -0.84 0.00 0.00 0.00 176.54 175.94 3hfa h THR 109 N 0.41 1.15 -0.61 4.70 2.02 -0.90 -2.75 112.91 116.93 3hfa h THR 109 Ca 0.15 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3hfa h THR 109 Cb 0.04 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3hfa h THR 109 CO -0.09 0.14 0.39 0.40 0.37 0.00 0.00 175.52 176.73 3hfa h ILE 110 N 0.24 1.11 -0.50 3.11 2.04 -0.78 -0.36 117.51 122.37 3hfa h ILE 110 Ca 0.08 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3hfa h ILE 110 Cb 0.13 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3hfa h ILE 110 CO -0.01 0.14 0.26 0.15 0.00 0.00 0.00 178.15 178.69 3hfa h PHE 111 N 0.78 0.67 0.00 1.37 3.57 -0.30 -2.22 116.94 120.81 3hfa h PHE 111 Ca 0.23 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.53 3hfa h PHE 111 Cb -0.03 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 3hfa h PHE 111 CO -0.04 0.48 -1.99 0.25 -2.23 0.00 0.00 178.31 174.78 3hfa n THR 112 N -4.40 0.88 -0.08 4.41 -2.24 -1.03 -4.72 114.28 107.10 3hfa n THR 112 Ca 0.04 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 3hfa n THR 112 Cb 0.11 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.63 0.36 -0.76 -0.78 1.02 -0.17 -5.03 120.64 112.65 3hfa n GLU 113 Ca -0.17 0.10 -0.33 0.00 -0.02 0.00 0.00 57.16 56.74 3hfa n GLU 113 Cb 0.88 -1.25 0.14 0.00 -0.02 0.00 0.00 31.44 31.19 3hfa n GLU 113 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3hfa n GLN 114 N -3.10 -0.53 0.19 3.49 -0.06 -0.84 -4.88 117.38 111.66 3hfa n GLN 114 Ca -0.27 -0.11 0.03 0.00 -2.00 0.00 0.00 57.00 54.64 3hfa n GLN 114 Cb 0.77 -1.89 0.38 0.00 -4.06 0.00 0.00 30.24 25.44 3hfa n GLN 114 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hfa h ALA 115 N -1.69 1.38 -3.05 1.69 0.00 -1.96 -3.43 119.26 112.20 3hfa h ALA 115 Ca -0.45 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 53.97 3hfa h ALA 115 Cb 1.29 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.76 3hfa h ALA 115 CO 0.36 0.44 -0.42 0.21 0.00 0.00 0.00 179.25 179.84 3hfa s LYS 116 N -4.19 0.29 0.74 0.00 2.20 -1.26 -5.15 119.74 112.37 3hfa s LYS 116 Ca -0.03 0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 55.86 3hfa s LYS 116 Cb 0.14 0.08 0.04 0.00 -1.51 0.00 0.00 37.83 36.59 3hfa s LYS 116 CO 0.72 -0.07 1.23 -2.14 -0.36 0.00 0.00 175.35 174.72 3hfa s PRO 117 N 0.45 2.03 0.02 4.03 0.02 -1.26 -4.93 135.00 135.35 3hfa s PRO 117 Ca -0.03 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 3hfa s PRO 117 Cb -0.04 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 3hfa s PRO 117 CO -0.02 -1.94 1.19 0.71 -0.33 0.00 0.00 177.00 176.61 3hfa s TYR 118 N -1.90 3.36 -1.25 6.54 1.51 -1.26 -4.91 117.35 119.43 3hfa s TYR 118 Ca 0.76 1.28 -0.10 0.00 -1.01 0.00 0.00 57.07 58.00 3hfa s TYR 118 Cb -0.31 -3.41 0.18 0.00 -0.11 0.00 0.00 41.96 38.31 3hfa s TYR 118 CO 0.46 -1.24 1.72 0.39 -1.11 0.00 0.00 175.55 175.77 3hfa n GLU 119 N 4.36 3.58 -4.02 -0.62 1.02 -1.26 -4.78 120.64 118.92 3hfa n GLU 119 Ca 0.09 -3.68 -0.08 0.00 -0.02 0.00 0.00 57.16 53.48 3hfa n GLU 119 Cb 0.47 -2.94 -0.09 0.00 -0.02 0.00 0.00 31.44 28.85 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 0.58 0.19 -0.03 2.62 -7.23 -1.26 -1.42 120.40 113.86 3hfa s VAL 120 Ca 0.40 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 3hfa s VAL 120 Cb 0.06 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.65 3hfa s VAL 120 CO 0.01 -0.87 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.22 3hfa s GLU 121 N -3.69 0.34 0.08 4.82 2.12 -0.51 -3.24 118.70 118.62 3hfa s GLU 121 Ca 0.05 0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.48 3hfa s GLU 121 Cb 0.06 -0.47 -0.04 0.00 0.26 0.00 0.00 34.13 33.94 3hfa s GLU 121 CO -0.09 -0.10 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.87 3hfa s LEU 122 N 0.83 2.81 -0.10 2.70 1.43 0.37 -1.53 118.68 125.19 3hfa s LEU 122 Ca -0.09 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3hfa s LEU 122 Cb -0.12 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3hfa s LEU 122 CO -0.01 0.21 -0.20 0.00 0.23 0.00 0.00 176.35 176.58 3hfa s VAL 124 N 0.58 3.31 0.10 0.00 1.01 -0.27 -1.42 120.40 123.71 3hfa s VAL 124 Ca -0.14 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3hfa s VAL 124 Cb -0.17 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3hfa s VAL 124 CO 0.05 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.48 3hfa s ALA 125 N 0.34 1.58 -0.00 5.51 0.00 -0.63 -0.23 121.76 128.32 3hfa s ALA 125 Ca -0.09 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3hfa s ALA 125 Cb -0.15 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3hfa s ALA 125 CO 0.05 0.27 0.00 -2.00 0.00 0.00 0.00 175.76 174.08 3hfa s GLU 126 N -1.95 0.04 0.39 0.00 2.12 -0.31 -0.66 118.70 118.32 3hfa s GLU 126 Ca 0.04 0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.47 3hfa s GLU 126 Cb -0.09 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.16 3hfa s GLU 126 CO 0.04 -0.02 0.15 0.14 -0.54 0.00 0.00 175.26 175.02 3hfa s VAL 127 N 0.20 2.46 0.75 3.70 -7.23 -0.79 -0.98 120.40 118.51 3hfa s VAL 127 Ca -0.02 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.27 3hfa s VAL 127 Cb -0.03 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 34.00 3hfa s VAL 127 CO -0.01 -0.06 1.19 0.00 -0.31 0.00 0.00 175.10 175.91 3hfa s ALA 128 N -2.56 2.06 0.64 1.32 0.00 -1.26 -4.87 121.76 117.09 3hfa s ALA 128 Ca 0.39 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 3hfa s ALA 128 Cb 0.02 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3hfa s ALA 128 CO 0.22 -1.95 1.08 -1.01 0.00 0.00 0.00 175.76 174.09 3hfa s HIS 129 N -2.13 2.86 0.00 0.00 3.76 -1.26 -4.80 115.29 113.72 3hfa s HIS 129 Ca 0.72 1.52 -0.37 0.00 -0.15 0.00 0.00 55.06 56.78 3hfa s HIS 129 Cb -0.27 -3.05 -0.15 0.00 1.11 0.00 0.00 32.58 30.22 3hfa s HIS 129 CO 0.47 -1.36 1.54 0.98 -0.85 0.00 0.00 174.74 175.52 3hfa n TYR 130 N -2.39 1.87 -1.00 1.40 9.36 -1.26 -1.01 117.16 124.14 3hfa n TYR 130 Ca 0.09 0.47 -0.00 0.00 3.32 0.00 0.00 57.90 61.78 3hfa n TYR 130 Cb 0.53 -2.44 -0.00 0.00 -0.63 0.00 0.00 39.34 36.80 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 3.28 0.47 3.75 2.98 0.00 -1.26 -5.03 105.19 109.38 3hfa n GLY 131 Ca 0.20 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.28 2.68 -0.23 1.61 2.02 -0.18 -5.11 118.70 119.22 3hfa s GLU 132 Ca 0.00 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.83 3hfa s GLU 132 Cb 0.00 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 3hfa s GLU 132 CO 0.00 0.42 0.01 0.95 0.02 0.00 0.00 175.26 176.66 3hfa s THR 133 N -2.01 3.80 -0.29 3.63 -4.23 -1.26 -4.75 115.64 110.52 3hfa s THR 133 Ca 0.31 -0.34 -0.14 0.00 -1.18 0.00 0.00 61.69 60.33 3hfa s THR 133 Cb -0.08 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 71.14 3hfa s THR 133 CO 0.22 0.39 0.84 -0.75 -0.54 0.00 0.00 174.62 174.78 3hfa s LYS 134 N 1.52 0.47 0.28 3.99 2.20 -1.26 -5.07 119.74 121.87 3hfa s LYS 134 Ca 0.06 1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 3hfa s LYS 134 Cb -0.15 0.40 -0.13 0.00 -1.51 0.00 0.00 37.83 36.44 3hfa s LYS 134 CO -0.00 -0.13 1.31 0.54 -0.36 0.00 0.00 175.35 176.71 3hfa n ARG 135 N 4.63 1.96 -1.58 4.03 1.74 -1.26 -4.23 116.66 121.96 3hfa n ARG 135 Ca -0.14 0.69 -0.37 0.00 -0.77 0.00 0.00 57.85 57.26 3hfa n ARG 135 Cb 0.54 -2.29 0.07 0.00 -1.02 0.00 0.00 32.46 29.77 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 1.35 0.85 -5.02 5.56 -0.02 -1.26 -4.79 135.00 131.67 3hfa n PRO 136 Ca 0.09 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3hfa n PRO 136 Cb 0.33 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 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 -3.22 2.79 -0.11 -0.52 2.02 -0.15 -4.98 118.70 114.53 3hfa s GLU 137 Ca 0.78 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 55.02 3hfa s GLU 137 Cb -0.38 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.50 3hfa s GLU 137 CO 0.45 0.39 -0.21 -0.51 0.02 0.00 0.00 175.26 175.40 3hfa s LEU 138 N -0.16 2.00 -0.02 1.80 1.43 -1.23 -1.16 118.68 121.35 3hfa s LEU 138 Ca -0.02 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 3hfa s LEU 138 Cb -0.14 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3hfa s LEU 138 CO 0.04 0.10 -0.22 -0.31 0.23 0.00 0.00 176.35 176.18 3hfa s TYR 139 N 0.64 2.45 -0.15 0.29 2.02 0.68 -0.44 117.35 122.83 3hfa s TYR 139 Ca -0.12 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3hfa s TYR 139 Cb -0.16 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3hfa s TYR 139 CO 0.03 0.06 -0.19 0.50 -1.57 0.00 0.00 175.55 174.38 3hfa s ARG 140 N -0.75 3.10 -0.16 -0.62 3.00 0.55 -1.11 118.95 122.96 3hfa s ARG 140 Ca 0.11 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.73 54.02 3hfa s ARG 140 Cb -0.10 -2.54 -0.00 0.00 0.00 0.00 0.00 34.95 32.31 3hfa s ARG 140 CO 0.00 -0.03 -0.13 0.42 0.00 0.00 0.00 175.30 175.56 3hfa s ILE 141 N 0.89 2.86 0.57 4.11 1.09 -0.02 -1.56 121.20 129.13 3hfa s ILE 141 Ca -0.05 -0.70 0.07 0.00 -1.10 0.00 0.00 60.65 58.88 3hfa s ILE 141 Cb -0.15 -2.23 0.08 0.00 -1.06 0.00 0.00 42.46 39.10 3hfa s ILE 141 CO -0.03 0.50 0.79 0.42 -0.10 0.00 0.00 174.94 176.52 3hfa s THR 142 N 0.88 2.33 0.63 2.92 -4.23 -0.62 -0.48 115.64 117.07 3hfa s THR 142 Ca -0.03 -0.91 0.37 0.00 -1.18 0.00 0.00 61.69 59.93 3hfa s THR 142 Cb -0.15 -2.42 0.40 0.00 1.34 0.00 0.00 72.50 71.67 3hfa s THR 142 CO -0.00 0.00 2.29 0.10 -0.54 0.00 0.00 174.62 176.46 3hfa h TYR 143 N 0.13 0.00 -0.35 3.99 -0.00 -1.85 -1.09 116.97 117.80 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 0.31 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.07 3hfa n ASP 144 N -3.45 3.36 0.00 0.10 5.75 -1.26 -4.51 116.55 116.54 3hfa n ASP 144 Ca -0.03 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 3hfa n ASP 144 Cb 0.11 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.75 3.77 6.12 0.00 -0.41 -4.08 105.19 112.82 3hfa n GLY 145 Ca 0.19 0.00 -0.40 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 -2.92 5.91 0.02 1.61 0.01 -1.26 -4.63 113.70 112.44 3hfa s SER 146 Ca 0.00 2.95 0.02 0.00 1.31 0.00 0.00 55.95 60.23 3hfa s SER 146 Cb 0.00 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 3hfa s SER 146 CO 0.00 -1.16 -0.06 -0.51 0.41 0.00 0.00 173.24 171.92 3hfa s ILE 147 N -1.19 0.43 -0.12 1.44 2.07 -1.26 -1.58 121.20 120.99 3hfa s ILE 147 Ca 0.60 -0.57 -0.09 0.00 -1.41 0.00 0.00 60.65 59.17 3hfa s ILE 147 Cb -0.44 -0.43 0.03 0.00 0.13 0.00 0.00 42.46 41.75 3hfa s ILE 147 CO 0.58 -0.11 0.30 0.00 -1.91 0.00 0.00 174.94 173.80 3hfa s ALA 148 N -0.66 -0.73 -0.10 1.50 0.00 -0.60 -4.99 121.76 116.17 3hfa s ALA 148 Ca -0.03 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 3hfa s ALA 148 Cb -0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3hfa s ALA 148 CO 0.00 -0.16 0.24 0.16 0.00 0.00 0.00 175.76 176.00 3hfa s ASP 149 N 0.44 6.50 0.01 0.00 1.47 -1.26 -0.33 116.67 123.50 3hfa s ASP 149 Ca -0.02 0.60 0.05 0.00 1.18 0.00 0.00 52.55 54.36 3hfa s ASP 149 Cb -0.04 -2.14 -0.03 0.00 -0.34 0.00 0.00 42.92 40.37 3hfa s ASP 149 CO -0.02 0.31 -0.14 -1.61 0.68 0.00 0.00 175.17 174.39 3hfa s GLU 150 N -0.65 2.30 0.05 2.11 0.41 0.41 -4.99 118.70 118.34 3hfa s GLU 150 Ca 0.17 -0.85 -0.14 0.00 -0.41 0.00 0.00 54.97 53.74 3hfa s GLU 150 Cb -0.13 -2.32 -0.31 0.00 -1.78 0.00 0.00 34.13 29.60 3hfa s GLU 150 CO 0.06 0.57 1.08 -1.35 -0.49 0.00 0.00 175.26 175.14 3hfa h PRO 151 N 4.68 0.59 0.00 0.39 0.11 -1.94 -3.24 132.00 132.58 3hfa h PRO 151 Ca -0.48 -0.84 0.00 0.00 0.11 0.00 0.00 66.00 64.79 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 -0.95 0.72 -0.21 0.00 0.00 178.00 179.44 3hfa n HIS 152 N -3.76 0.00 -3.63 0.65 8.25 -1.26 -4.85 115.22 110.63 3hfa n HIS 152 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 3hfa n HIS 152 Cb 1.02 0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.11 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 -1.97 -0.27 -0.02 4.41 -0.12 -1.26 -1.28 117.98 117.47 3hfa s PHE 153 Ca 0.00 -0.04 0.02 0.00 -0.05 0.00 0.00 56.93 56.87 3hfa s PHE 153 Cb 0.00 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 3hfa s PHE 153 CO 0.00 -0.89 -0.07 0.08 -0.05 0.00 0.00 175.22 174.29 3hfa s VAL 154 N -3.83 0.65 -0.07 -2.49 1.01 -0.14 -4.87 120.40 110.66 3hfa s VAL 154 Ca 0.06 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.78 3hfa s VAL 154 Cb -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 3hfa s VAL 154 CO -0.07 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.34 3hfa s VAL 155 N 0.16 1.78 0.02 2.92 1.01 -1.26 -1.19 120.40 123.82 3hfa s VAL 155 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3hfa s VAL 155 Cb -0.07 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3hfa s VAL 155 CO 0.00 0.50 -0.04 -0.04 0.00 0.00 0.00 175.10 175.52 3hfa s MET 156 N 0.13 0.29 0.00 2.72 -1.94 -0.02 -5.00 119.30 115.49 3hfa s MET 156 Ca -0.09 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 3hfa s MET 156 Cb -0.15 -0.06 0.00 0.00 2.01 0.00 0.00 34.83 36.64 3hfa s MET 156 CO 0.05 0.00 0.00 0.41 -0.01 0.00 0.00 175.02 175.47 3hfa n GLY 157 N 2.07 -1.67 7.00 -0.03 0.00 -1.26 -0.45 105.19 110.85 3hfa n GLY 157 Ca -0.20 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.73 0.98 3.50 -0.02 0.00 -0.23 -4.21 105.19 104.47 3hfa n GLY 158 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 4.24 -0.18 2.61 -4.23 -1.26 -4.53 115.64 112.30 3hfa s THR 159 Ca 0.00 0.04 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 3hfa s THR 159 Cb 0.00 -4.67 0.02 0.00 1.34 0.00 0.00 72.50 69.19 3hfa s THR 159 CO 0.00 -1.39 1.25 0.71 -0.54 0.00 0.00 174.62 174.65 3hfa h THR 160 N 6.01 0.62 0.12 3.99 1.35 -1.95 -3.39 112.91 119.65 3hfa h THR 160 Ca -0.28 -1.95 0.02 0.00 -0.55 0.00 0.00 66.41 63.65 3hfa h THR 160 Cb 1.07 2.20 -0.04 0.00 -1.73 0.00 0.00 68.15 69.64 3hfa h THR 160 CO 1.16 0.35 -0.39 -0.08 -0.25 0.00 0.00 175.52 176.32 3hfa h GLU 161 N 0.00 -0.60 -0.96 4.72 4.57 -1.95 0.23 114.58 120.59 3hfa h GLU 161 Ca -0.05 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3hfa h GLU 161 Cb 1.38 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 30.06 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 1.26 -0.28 0.92 0.11 -1.83 -0.07 132.00 131.48 3hfa h PRO 162 Ca 0.03 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 3hfa h PRO 162 Cb 0.65 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3hfa h PRO 162 CO -0.23 0.83 0.03 0.82 -0.21 0.00 0.00 178.00 179.24 3hfa h ILE 163 N 1.29 1.24 -0.70 4.15 2.04 -1.55 -0.71 117.51 123.28 3hfa h ILE 163 Ca 0.35 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 3hfa h ILE 163 Cb -0.14 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3hfa h ILE 163 CO -0.08 0.27 0.14 0.00 0.00 0.00 0.00 178.15 178.48 3hfa h ALA 164 N 0.85 0.93 -0.21 1.87 0.00 -0.21 -1.42 119.26 121.07 3hfa h ALA 164 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hfa h ALA 164 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hfa h ALA 164 CO 0.01 0.67 0.11 -0.91 0.00 0.00 0.00 179.25 179.13 3hfa h ASN 165 N 1.07 0.27 -0.62 0.00 2.35 -0.92 0.17 115.58 117.89 3hfa h ASN 165 Ca 0.22 -0.11 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3hfa h ASN 165 Cb 0.41 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 3hfa h ASN 165 CO 0.01 0.30 0.28 0.00 -1.65 0.00 0.00 177.43 176.37 3hfa h ALA 166 N 0.98 0.82 0.07 -0.83 0.00 -0.91 -0.83 119.26 118.56 3hfa h ALA 166 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 166 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hfa h ALA 166 CO -0.01 -0.11 -0.03 -0.07 0.00 0.00 0.00 179.25 179.03 3hfa h LEU 167 N 0.50 -0.08 -1.91 0.00 -0.00 -1.07 -0.61 115.31 112.15 3hfa h LEU 167 Ca 0.30 -0.17 0.13 0.00 -0.00 0.00 0.00 57.88 58.13 3hfa h LEU 167 Cb 0.31 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 3hfa h LEU 167 CO -0.25 0.13 0.50 0.50 -0.00 0.00 0.00 178.44 179.32 3hfa h LYS 168 N -0.29 0.00 0.00 1.13 3.64 -0.14 0.57 116.57 121.48 3hfa h LYS 168 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3hfa h LYS 168 Cb 0.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3hfa h LYS 168 CO 0.02 0.00 -0.94 1.49 -2.27 0.00 0.00 179.45 177.74 3hfa h GLU 169 N 0.00 0.00 -0.00 1.90 4.57 -0.80 -3.41 114.58 116.84 3hfa h GLU 169 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3hfa h GLU 169 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3hfa h GLU 169 CO -0.00 0.93 -0.84 -1.13 -1.18 0.00 0.00 179.01 176.79 3hfa n SER 170 N -4.48 1.11 -4.69 1.04 3.41 -0.27 -4.95 113.62 104.79 3hfa n SER 170 Ca -0.26 -0.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.94 3hfa n SER 170 Cb 0.61 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.33 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 -2.90 2.58 -0.10 7.33 5.04 0.19 -5.00 117.35 124.49 3hfa s TYR 171 Ca 0.11 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.29 3hfa s TYR 171 Cb 0.17 -3.83 -0.01 0.00 0.35 0.00 0.00 41.96 38.64 3hfa s TYR 171 CO 0.79 -3.25 -0.19 0.00 -1.34 0.00 0.00 175.55 171.56 3hfa s ALA 172 N 2.62 2.38 0.35 3.97 0.00 -1.26 -5.00 121.76 124.82 3hfa s ALA 172 Ca 0.69 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 3hfa s ALA 172 Cb -0.36 -0.96 -0.11 0.00 0.00 0.00 0.00 23.12 21.69 3hfa s ALA 172 CO 0.29 0.31 1.44 -2.00 0.00 0.00 0.00 175.76 175.81 3hfa s GLU 173 N 0.21 4.19 -1.37 0.00 2.12 -1.26 -3.26 118.70 119.33 3hfa s GLU 173 Ca -0.12 2.46 -0.01 0.00 0.36 0.00 0.00 54.97 57.66 3hfa s GLU 173 Cb -0.16 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3hfa s GLU 173 CO 0.07 -0.44 0.10 0.09 -0.54 0.00 0.00 175.26 174.53 3hfa n ASN 174 N 0.79 -4.94 -4.75 -1.70 3.02 -1.26 -4.94 115.26 101.49 3hfa n ASN 174 Ca 0.02 -0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 3hfa n ASN 174 Cb 0.40 -3.99 0.10 0.00 -0.61 0.00 0.00 39.78 35.67 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 -2.87 2.14 0.88 5.41 0.00 -1.20 -4.19 121.76 121.94 3hfa s ALA 175 Ca 0.05 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3hfa s ALA 175 Cb -0.02 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.88 3hfa s ALA 175 CO 0.06 -1.85 1.09 -1.54 0.00 0.00 0.00 175.76 173.52 3hfa s SER 176 N -2.91 3.61 0.16 0.00 1.04 -1.26 -2.14 113.70 112.21 3hfa s SER 176 Ca 0.65 1.54 -0.17 0.00 0.48 0.00 0.00 55.95 58.45 3hfa s SER 176 Cb -0.20 -2.22 0.09 0.00 0.10 0.00 0.00 66.02 63.78 3hfa s SER 176 CO 0.52 -2.56 1.69 0.25 0.98 0.00 0.00 173.24 174.12 3hfa h LEU 177 N -1.49 -0.20 -0.57 2.42 5.85 -1.98 0.12 115.31 119.46 3hfa h LEU 177 Ca -0.49 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3hfa h LEU 177 Cb 1.28 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3hfa h LEU 177 CO 0.54 -0.06 0.29 0.00 -0.34 0.00 0.00 178.44 178.86 3hfa h THR 178 N 0.07 1.20 -0.35 1.05 1.03 -1.95 0.56 112.91 114.53 3hfa h THR 178 Ca 0.18 -0.54 -0.06 0.00 -0.01 0.00 0.00 66.41 65.98 3hfa h THR 178 Cb 0.26 0.52 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 3hfa h THR 178 CO -0.32 0.22 -0.02 0.44 -0.01 0.00 0.00 175.52 175.83 3hfa h ASP 179 N 0.76 0.62 -0.28 0.00 3.32 -1.87 -2.06 116.42 116.91 3hfa h ASP 179 Ca 0.20 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.94 3hfa h ASP 179 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3hfa h ASP 179 CO -0.03 0.79 0.16 0.00 -1.72 0.00 0.00 179.24 178.45 3hfa h ALA 180 N 0.85 0.35 -0.48 3.45 0.00 -0.51 -0.67 119.26 122.25 3hfa h ALA 180 Ca 0.10 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 180 Cb 0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3hfa h ALA 180 CO 0.02 -0.21 0.24 1.25 0.00 0.00 0.00 179.25 180.55 3hfa h LEU 181 N 0.34 0.35 -0.08 0.00 5.85 -0.83 -0.00 115.31 120.93 3hfa h LEU 181 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 181 Cb 0.00 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3hfa h LEU 181 CO -0.05 0.24 0.03 -0.09 -0.34 0.00 0.00 178.44 178.23 3hfa h ARG 182 N 0.48 0.13 -0.62 1.25 2.43 -1.05 0.86 114.38 117.84 3hfa h ARG 182 Ca 0.21 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.47 3hfa h ARG 182 Cb 0.11 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.55 3hfa h ARG 182 CO -0.15 0.26 0.13 0.82 -1.51 0.00 0.00 179.97 179.53 3hfa h ILE 183 N -0.03 0.62 0.12 1.20 2.04 -0.88 -0.34 117.51 120.24 3hfa h ILE 183 Ca 0.03 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3hfa h ILE 183 Cb 0.18 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3hfa h ILE 183 CO -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 178.15 178.14 3hfa h ALA 184 N 1.50 -0.16 -0.99 1.87 0.00 -0.58 -0.61 119.26 120.29 3hfa h ALA 184 Ca 0.33 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3hfa h ALA 184 Cb 0.50 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3hfa h ALA 184 CO -0.42 -0.41 0.64 0.28 0.00 0.00 0.00 179.25 179.34 3hfa h VAL 185 N -0.50 1.10 0.19 0.00 2.07 -0.64 -0.52 116.25 117.95 3hfa h VAL 185 Ca -0.02 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hfa h VAL 185 Cb 0.40 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3hfa h VAL 185 CO 0.03 0.22 -0.09 0.00 0.02 0.00 0.00 177.57 177.74 3hfa h ALA 186 N 1.45 -0.25 -0.91 1.67 0.00 -0.98 -2.19 119.26 118.05 3hfa h ALA 186 Ca 0.42 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.36 3hfa h ALA 186 Cb 0.13 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3hfa h ALA 186 CO -0.16 -0.51 0.59 0.00 0.00 0.00 0.00 179.25 179.17 3hfa h ALA 187 N 0.24 2.04 -0.41 0.00 0.00 -0.67 0.69 119.26 121.15 3hfa h ALA 187 Ca -0.03 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3hfa h ALA 187 Cb 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hfa h ALA 187 CO 0.04 -0.33 -0.15 1.25 0.00 0.00 0.00 179.25 180.06 3hfa h LEU 188 N 0.52 0.77 -0.37 0.00 5.85 -0.84 -3.16 115.31 118.09 3hfa h LEU 188 Ca 0.48 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3hfa h LEU 188 Cb 1.03 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3hfa h LEU 188 CO -0.21 0.93 0.13 0.03 -0.34 0.00 0.00 178.44 178.98 3hfa h ARG 189 N 0.69 0.28 -0.07 1.25 3.08 -0.22 -3.48 114.38 115.91 3hfa h ARG 189 Ca 0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3hfa h ARG 189 Cb 0.64 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3hfa h ARG 189 CO 0.04 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 3hfa n ALA 190 N -2.33 0.15 0.00 0.04 0.00 -1.19 -5.09 120.51 112.09 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 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 0.11 0.00 0.00 0.00 4.77 -1.26 -4.13 117.00 116.48 3hfa n LEU 203 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3hfa n LEU 203 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3hfa n LEU 203 CO 0.00 0.00 0.04 0.61 -1.33 0.00 0.00 177.39 176.71 3hfa n GLY 204 N 0.00 2.73 0.41 -0.72 0.00 -1.26 -4.97 105.19 101.38 3hfa n GLY 204 Ca 0.00 -2.20 0.21 0.00 0.00 0.00 0.00 46.02 44.03 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 0.44 0.67 0.00 1.61 2.07 -1.93 -1.30 116.25 117.81 3hfa h VAL 205 Ca -0.11 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3hfa h VAL 205 Cb 0.41 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3hfa h VAL 205 CO 0.16 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.80 3hfa h ALA 206 N 1.62 1.00 0.00 1.67 0.00 -1.94 -3.15 119.26 118.45 3hfa h ALA 206 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3hfa h ALA 206 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hfa h ALA 206 CO -0.11 0.00 -0.00 -1.13 0.00 0.00 0.00 179.25 178.01 3hfa n SER 207 N -2.43 1.89 -4.28 0.00 3.41 -0.52 -4.52 113.62 107.18 3hfa n SER 207 Ca 0.03 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.37 3hfa n SER 207 Cb 0.32 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.01 2.10 -0.20 1.04 1.43 -1.03 -0.62 118.68 120.39 3hfa s LEU 208 Ca 0.01 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3hfa s LEU 208 Cb 0.01 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 3hfa s LEU 208 CO 0.00 0.25 -0.06 -0.70 0.23 0.00 0.00 176.35 176.08 3hfa s GLU 209 N -0.83 3.40 -0.01 1.70 2.12 -0.27 -4.79 118.70 120.02 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 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3hfa s GLU 209 CO 0.00 -0.11 -0.15 0.08 -0.54 0.00 0.00 175.26 174.55 3hfa s VAL 210 N 1.24 1.17 0.15 3.70 1.01 -1.26 -1.39 120.40 125.02 3hfa s VAL 210 Ca 0.03 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3hfa s VAL 210 Cb -0.14 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.31 3hfa s VAL 210 CO -0.02 0.30 0.52 0.00 0.00 0.00 0.00 175.10 175.90 3hfa s ALA 211 N -0.39 -1.26 0.11 5.51 0.00 -0.94 -1.35 121.76 123.44 3hfa s ALA 211 Ca 0.05 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.24 3hfa s ALA 211 Cb -0.06 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3hfa s ALA 211 CO -0.00 -0.73 -0.11 0.14 0.00 0.00 0.00 175.76 175.06 3hfa s VAL 212 N -3.79 1.03 -0.54 0.00 -7.23 -0.07 -0.70 120.40 109.10 3hfa s VAL 212 Ca 0.03 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.29 3hfa s VAL 212 Cb 0.00 -1.47 0.09 0.00 0.56 0.00 0.00 36.38 35.56 3hfa s VAL 212 CO -0.11 -0.57 0.61 -0.76 -0.31 0.00 0.00 175.10 173.96 3hfa s LEU 213 N -2.57 5.39 -0.53 1.32 1.43 0.46 -1.32 118.68 122.86 3hfa s LEU 213 Ca 0.08 -1.31 -0.20 0.00 -1.03 0.00 0.00 54.13 51.67 3hfa s LEU 213 Cb -0.02 -2.32 0.06 0.00 0.03 0.00 0.00 46.19 43.94 3hfa s LEU 213 CO 0.00 -0.96 0.71 -0.62 0.23 0.00 0.00 176.35 175.72 3hfa s ASP 214 N 3.21 6.24 0.14 2.29 2.15 0.14 -1.87 116.67 128.98 3hfa s ASP 214 Ca 0.11 -0.89 0.14 0.00 0.43 0.00 0.00 52.55 52.34 3hfa s ASP 214 Cb -0.23 -2.32 0.66 0.00 -0.30 0.00 0.00 42.92 40.72 3hfa s ASP 214 CO 0.08 -1.01 1.43 0.00 -0.17 0.00 0.00 175.17 175.50 3hfa n ALA 215 N 6.51 1.29 0.78 3.66 0.00 -0.73 -1.64 120.51 130.37 3hfa n ALA 215 Ca -0.05 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3hfa n ALA 215 Cb 0.45 -1.22 0.41 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.87 0.50 -4.76 0.00 2.85 -1.26 -4.40 115.26 106.32 3hfa n ASN 216 Ca 0.01 0.37 -0.40 0.00 -0.11 0.00 0.00 54.58 54.45 3hfa n ASN 216 Cb 0.09 -0.41 -0.05 0.00 1.24 0.00 0.00 39.78 40.66 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 -3.07 4.67 0.11 1.20 1.81 -0.65 -4.98 118.95 118.04 3hfa s ARG 217 Ca 0.11 1.74 -0.22 0.00 -1.72 0.00 0.00 55.73 55.64 3hfa s ARG 217 Cb 0.15 -3.19 -0.09 0.00 -0.45 0.00 0.00 34.95 31.37 3hfa s ARG 217 CO 0.61 0.26 1.72 -1.35 -0.68 0.00 0.00 175.30 175.87 3hfa h PRO 218 N 3.85 -0.00 0.00 3.54 0.11 -1.89 -3.40 132.00 134.21 3hfa h PRO 218 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hfa h PRO 218 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hfa h PRO 218 CO 0.67 -0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.33 3hfa n ARG 219 N -5.14 0.00 -2.77 1.05 0.63 -1.26 -4.34 116.66 104.83 3hfa n ARG 219 Ca -0.05 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.45 3hfa n ARG 219 Cb 0.07 -0.09 -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 -1.26 3.41 0.41 -0.14 0.52 -1.26 -4.41 118.95 116.22 3hfa s ARG 220 Ca 0.00 -0.07 0.23 0.00 -0.52 0.00 0.00 55.73 55.37 3hfa s ARG 220 Cb 0.00 -4.02 0.32 0.00 0.52 0.00 0.00 34.95 31.77 3hfa s ARG 220 CO 0.00 -1.50 1.56 0.00 0.02 0.00 0.00 175.30 175.39 3hfa h ALA 221 N 9.34 0.95 -2.44 2.13 0.00 -1.26 -3.46 119.26 124.53 3hfa h ALA 221 Ca -0.25 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.12 3hfa h ALA 221 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3hfa h ALA 221 CO 1.10 0.00 0.54 0.12 0.00 0.00 0.00 179.25 181.01 3hfa s PHE 222 N -3.22 3.45 -0.15 0.00 5.36 -1.26 0.28 117.98 122.44 3hfa s PHE 222 Ca 0.06 1.39 -0.10 0.00 -0.96 0.00 0.00 56.93 57.32 3hfa s PHE 222 Cb 0.06 -3.35 0.05 0.00 -0.34 0.00 0.00 43.02 39.44 3hfa s PHE 222 CO 0.68 -0.97 0.36 -0.98 -1.46 0.00 0.00 175.22 172.86 3hfa s ARG 223 N 1.25 0.38 0.40 10.12 1.70 -0.44 -4.96 118.95 127.40 3hfa s ARG 223 Ca 0.56 0.63 -0.21 0.00 -0.47 0.00 0.00 55.73 56.24 3hfa s ARG 223 Cb -0.27 0.06 -0.11 0.00 -0.57 0.00 0.00 34.95 34.07 3hfa s ARG 223 CO 0.28 -0.11 0.93 1.03 -1.08 0.00 0.00 175.30 176.34 3hfa s ARG 224 N 0.86 4.27 -0.28 3.89 0.52 -1.26 -0.89 118.95 126.05 3hfa s ARG 224 Ca -0.05 1.11 0.02 0.00 -0.52 0.00 0.00 55.73 56.28 3hfa s ARG 224 Cb -0.06 -2.31 0.06 0.00 0.52 0.00 0.00 34.95 33.15 3hfa s ARG 224 CO -0.06 0.04 -0.07 0.42 0.02 0.00 0.00 175.30 175.65 3hfa s ILE 225 N -2.06 2.39 0.24 1.52 1.01 -0.46 -4.93 121.20 118.92 3hfa s ILE 225 Ca 0.59 -1.64 0.03 0.00 0.00 0.00 0.00 60.65 59.63 3hfa s ILE 225 Cb -0.11 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3hfa s ILE 225 CO 0.15 -0.10 0.03 0.42 0.00 0.00 0.00 174.94 175.44 3hfa s THR 226 N 1.12 0.87 0.00 2.92 -4.23 -1.26 -4.27 115.64 110.79 3hfa s THR 226 Ca -0.06 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3hfa s THR 226 Cb -0.20 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3hfa s THR 226 CO -0.04 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 3hfa n GLY 227 N -0.45 3.10 0.22 3.99 0.00 -1.26 -2.52 105.19 108.28 3hfa n GLY 227 Ca -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 0.15 0.37 0.18 1.61 4.64 -1.98 1.03 113.55 119.55 3hfa h SER 228 Ca 0.00 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3hfa h SER 228 Cb 0.00 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3hfa h SER 228 CO 0.00 0.25 -0.34 0.00 -0.87 0.00 0.00 176.83 175.87 3hfa h ALA 229 N 1.32 -0.62 -0.81 5.18 0.00 -1.90 0.93 119.26 123.36 3hfa h ALA 229 Ca 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3hfa h ALA 229 Cb 0.20 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3hfa h ALA 229 CO -0.19 -0.90 0.37 1.25 0.00 0.00 0.00 179.25 179.77 3hfa h LEU 230 N -0.60 1.07 -0.61 0.00 5.85 -1.19 -0.92 115.31 118.91 3hfa h LEU 230 Ca 0.02 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3hfa h LEU 230 Cb 0.61 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3hfa h LEU 230 CO -0.16 0.92 0.33 -0.61 -0.34 0.00 0.00 178.44 178.58 3hfa h GLN 231 N 1.16 0.84 -0.63 1.25 5.75 0.20 -0.48 115.11 123.20 3hfa h GLN 231 Ca 0.28 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3hfa h GLN 231 Cb 0.15 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3hfa h GLN 231 CO -0.03 0.64 0.31 0.00 -2.65 0.00 0.00 178.83 177.10 3hfa h ALA 232 N 1.15 0.82 -0.54 3.38 0.00 0.15 -2.54 119.26 121.67 3hfa h ALA 232 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hfa h ALA 232 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hfa h ALA 232 CO -0.03 0.38 0.12 -0.07 0.00 0.00 0.00 179.25 179.65 3hfa h LEU 233 N 0.87 0.78 0.00 0.00 4.07 -0.67 -3.51 115.31 116.85 3hfa h LEU 233 Ca 0.22 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3hfa h LEU 233 Cb 0.11 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.65 3hfa h LEU 233 CO -0.03 0.77 0.00 0.18 -1.08 0.00 0.00 178.44 178.28