#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 0.96 -0.08 2.12 5.08 -2.05 -0.61 114.58 120.01 3hfa h GLU 10 Ca 0.00 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.03 3hfa h GLU 10 Cb 0.00 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3hfa h GLU 10 CO 0.00 0.76 -0.76 0.37 -1.00 0.00 0.00 179.01 178.38 3hfa h GLN 11 N 0.96 0.46 -0.37 2.33 4.15 -2.06 -3.05 115.11 117.53 3hfa h GLN 11 Ca 0.23 -0.39 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3hfa h GLN 11 Cb 0.13 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3hfa h GLN 11 CO -0.03 1.03 0.03 0.00 -1.93 0.00 0.00 178.83 177.93 3hfa h ALA 12 N 0.86 0.50 0.00 3.38 0.00 -1.79 -0.77 119.26 121.44 3hfa h ALA 12 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hfa h ALA 12 Cb 1.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hfa h ALA 12 CO 0.14 0.25 0.00 0.52 0.00 0.00 0.00 179.25 180.15 3hfa h MET 13 N 0.47 0.00 0.15 0.00 2.86 -1.24 -1.34 114.93 115.83 3hfa h MET 13 Ca 0.11 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.45 3hfa h MET 13 Cb 0.42 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.10 3hfa h MET 13 CO 0.01 0.00 -1.29 -0.09 1.06 0.00 0.00 176.91 176.61 3hfa h ARG 14 N 0.00 0.45 -0.28 1.72 2.43 -1.31 -1.78 114.38 115.60 3hfa h ARG 14 Ca 0.00 -0.69 -0.18 0.00 -0.81 0.00 0.00 59.98 58.30 3hfa h ARG 14 Cb 0.53 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3hfa h ARG 14 CO 0.00 1.32 -0.53 0.93 -1.51 0.00 0.00 179.97 180.18 3hfa h GLU 15 N 0.16 0.82 -0.34 0.20 5.08 -0.58 -0.59 114.58 119.33 3hfa h GLU 15 Ca -0.18 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 57.64 3hfa h GLU 15 Cb 1.98 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 3hfa h GLU 15 CO 0.23 1.14 0.07 0.00 -1.00 0.00 0.00 179.01 179.45 3hfa h ARG 16 N 0.63 0.55 -0.77 2.33 3.08 -1.32 0.54 114.38 119.42 3hfa h ARG 16 Ca 0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3hfa h ARG 16 Cb 1.12 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 3hfa h ARG 16 CO 0.12 0.61 0.43 1.03 -1.07 0.00 0.00 179.97 181.09 3hfa h SER 17 N 0.39 0.95 -0.11 7.04 0.87 -1.27 -2.17 113.55 119.25 3hfa h SER 17 Ca 0.10 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3hfa h SER 17 Cb 0.32 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3hfa h SER 17 CO 0.00 0.76 0.02 -0.08 -0.53 0.00 0.00 176.83 177.01 3hfa h GLU 18 N 1.06 0.18 -0.71 2.24 4.57 -0.85 -0.58 114.58 120.49 3hfa h GLU 18 Ca 0.27 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 3hfa h GLU 18 Cb 0.02 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 3hfa h GLU 18 CO -0.05 0.38 0.42 1.25 -1.18 0.00 0.00 179.01 179.84 3hfa h LEU 19 N -0.05 0.64 -0.10 1.64 6.46 -0.78 -0.38 115.31 122.75 3hfa h LEU 19 Ca 0.03 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 3hfa h LEU 19 Cb 0.29 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3hfa h LEU 19 CO 0.00 0.42 -0.03 0.00 -0.62 0.00 0.00 178.44 178.21 3hfa h ALA 20 N 1.35 0.13 -0.68 1.25 0.00 -1.28 -2.21 119.26 117.82 3hfa h ALA 20 Ca 0.31 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3hfa h ALA 20 Cb 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3hfa h ALA 20 CO -0.16 -0.13 0.38 -0.09 0.00 0.00 0.00 179.25 179.25 3hfa h ARG 21 N -0.15 0.66 -0.32 0.00 2.43 -0.82 -1.25 114.38 114.94 3hfa h ARG 21 Ca 0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3hfa h ARG 21 Cb 0.45 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3hfa h ARG 21 CO 0.01 0.44 0.09 0.87 -1.51 0.00 0.00 179.97 179.87 3hfa h LYS 22 N 0.68 0.51 -0.53 0.20 1.57 -1.05 -0.63 116.57 117.33 3hfa h LYS 22 Ca 0.31 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 3hfa h LYS 22 Cb 0.21 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3hfa h LYS 22 CO -0.20 0.57 0.32 0.78 -0.57 0.00 0.00 179.45 180.35 3hfa h GLY 23 N 0.37 0.75 0.94 3.86 0.00 -0.90 -1.68 103.07 106.41 3hfa h GLY 23 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3hfa h GLY 23 CO -0.00 0.19 -0.04 -2.22 0.00 0.00 0.00 176.54 174.47 3hfa h ILE 24 N 0.62 1.27 0.00 2.60 2.04 -1.13 -2.56 117.51 120.35 3hfa h ILE 24 Ca 0.22 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3hfa h ILE 24 Cb 0.03 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3hfa h ILE 24 CO -0.10 0.36 -0.02 0.00 0.00 0.00 0.00 178.15 178.39 3hfa h ALA 25 N 0.85 1.23 -0.00 1.87 0.00 -0.83 -0.42 119.26 121.95 3hfa h ALA 25 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 25 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hfa h ALA 25 CO 0.03 0.02 -0.37 -2.13 0.00 0.00 0.00 179.25 176.80 3hfa n ARG 26 N -3.43 0.39 -2.54 0.00 0.63 -0.66 -3.77 116.66 107.29 3hfa n ARG 26 Ca -0.03 -0.22 -0.22 0.00 -0.92 0.00 0.00 57.85 56.46 3hfa n ARG 26 Cb 0.12 -1.50 0.04 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 -2.76 3.71 0.62 5.13 0.00 -0.43 -4.89 121.76 123.13 3hfa s ALA 27 Ca 0.18 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 3hfa s ALA 27 Cb 0.18 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 3hfa s ALA 27 CO 0.61 -0.87 1.04 0.15 0.00 0.00 0.00 175.76 176.68 3hfa s LYS 28 N -4.88 3.40 0.28 0.00 1.02 -1.26 -1.79 119.74 116.52 3hfa s LYS 28 Ca 0.58 0.94 -0.01 0.00 0.02 0.00 0.00 55.97 57.49 3hfa s LYS 28 Cb -0.10 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 3hfa s LYS 28 CO 0.40 -0.73 0.49 -1.12 -0.92 0.00 0.00 175.35 173.47 3hfa s SER 29 N -3.60 6.36 -0.03 2.83 0.01 -1.26 -4.29 113.70 113.72 3hfa s SER 29 Ca 0.58 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 58.28 3hfa s SER 29 Cb -0.13 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.07 3hfa s SER 29 CO 0.47 -0.18 0.10 -0.69 0.41 0.00 0.00 173.24 173.35 3hfa s VAL 30 N -2.10 0.02 0.06 3.43 1.01 0.28 -1.66 120.40 121.43 3hfa s VAL 30 Ca 0.40 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3hfa s VAL 30 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 3hfa s VAL 30 CO 0.32 -0.08 -0.16 0.68 0.00 0.00 0.00 175.10 175.87 3hfa s VAL 31 N -0.20 1.24 -0.09 2.92 -7.23 -0.09 -0.85 120.40 116.10 3hfa s VAL 31 Ca -0.03 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 3hfa s VAL 31 Cb -0.02 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.80 3hfa s VAL 31 CO 0.00 -0.06 -0.13 0.00 -0.31 0.00 0.00 175.10 174.60 3hfa s ALA 32 N -1.03 1.46 -0.07 1.32 0.00 -0.31 -1.31 121.76 121.81 3hfa s ALA 32 Ca 0.01 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.45 3hfa s ALA 32 Cb -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3hfa s ALA 32 CO 0.02 0.01 -0.18 -0.51 0.00 0.00 0.00 175.76 175.11 3hfa s LEU 33 N 0.85 1.86 0.25 0.00 1.02 -0.29 -0.80 118.68 121.58 3hfa s LEU 33 Ca -0.10 -0.40 -0.30 0.00 0.02 0.00 0.00 54.13 53.35 3hfa s LEU 33 Cb -0.15 -1.06 -0.09 0.00 0.02 0.00 0.00 46.19 44.90 3hfa s LEU 33 CO 0.01 0.11 1.21 0.00 0.02 0.00 0.00 176.35 177.70 3hfa s ALA 34 N 0.40 3.46 0.26 4.21 0.00 0.12 -0.93 121.76 129.28 3hfa s ALA 34 Ca -0.13 1.03 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3hfa s ALA 34 Cb -0.16 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 3hfa s ALA 34 CO 0.05 -0.40 0.22 1.52 0.00 0.00 0.00 175.76 177.15 3hfa s TYR 35 N -0.61 1.37 0.30 0.00 -0.85 0.15 -4.62 117.35 113.08 3hfa s TYR 35 Ca 0.50 -1.47 -0.00 0.00 -0.52 0.00 0.00 57.07 55.58 3hfa s TYR 35 Cb -0.35 -0.58 0.49 0.00 0.38 0.00 0.00 41.96 41.91 3hfa s TYR 35 CO 0.42 -0.77 1.93 0.00 -1.52 0.00 0.00 175.55 175.61 3hfa h ALA 36 N 2.39 1.47 -0.18 9.51 0.00 -1.51 -2.44 119.26 128.49 3hfa h ALA 36 Ca -0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hfa h ALA 36 Cb 1.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hfa h ALA 36 CO 0.45 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.54 3hfa n GLY 37 N -1.40 0.71 0.00 0.00 0.00 -1.26 -5.03 105.19 98.21 3hfa n GLY 37 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.27 0.31 3.31 -0.02 0.00 -0.92 -1.34 105.19 107.79 3hfa n GLY 38 Ca 0.17 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 2.40 -0.17 1.61 1.01 -0.84 0.31 120.40 120.72 3hfa s VAL 39 Ca 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3hfa s VAL 39 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3hfa s VAL 39 CO 0.00 0.56 0.04 -0.22 0.00 0.00 0.00 175.10 175.48 3hfa s LEU 40 N -0.04 3.71 -0.15 3.92 2.96 -0.10 -0.39 118.68 128.59 3hfa s LEU 40 Ca -0.06 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3hfa s LEU 40 Cb -0.15 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3hfa s LEU 40 CO 0.05 0.20 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.85 3hfa s PHE 41 N 0.22 2.96 -0.05 5.38 0.08 0.27 -1.13 117.98 125.70 3hfa s PHE 41 Ca 0.03 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 3hfa s PHE 41 Cb -0.13 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3hfa s PHE 41 CO 0.01 -0.10 -0.00 0.08 -0.10 0.00 0.00 175.22 175.10 3hfa s VAL 42 N 0.41 0.31 -0.00 -0.44 1.01 -0.43 -2.26 120.40 118.99 3hfa s VAL 42 Ca -0.06 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3hfa s VAL 42 Cb -0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 3hfa s VAL 42 CO 0.04 0.22 -0.14 0.00 0.00 0.00 0.00 175.10 175.21 3hfa s ALA 43 N 1.61 1.18 -0.19 5.51 0.00 -0.50 -0.91 121.76 128.45 3hfa s ALA 43 Ca -0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 3hfa s ALA 43 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3hfa s ALA 43 CO -0.03 0.28 1.89 -1.21 0.00 0.00 0.00 175.76 176.68 3hfa s GLU 44 N -0.45 3.59 -0.27 0.00 2.02 -0.66 -1.05 118.70 121.87 3hfa s GLU 44 Ca 0.05 1.90 -0.01 0.00 0.02 0.00 0.00 54.97 56.93 3hfa s GLU 44 Cb -0.06 -4.18 0.16 0.00 0.10 0.00 0.00 34.13 30.14 3hfa s GLU 44 CO -0.00 -1.56 0.45 1.21 0.02 0.00 0.00 175.26 175.37 3hfa s ASN 45 N 5.77 -0.25 0.17 -0.19 3.84 0.26 -4.67 114.94 119.87 3hfa s ASN 45 Ca 0.84 0.29 -0.03 0.00 0.21 0.00 0.00 52.86 54.17 3hfa s ASN 45 Cb -0.30 1.43 0.04 0.00 -0.55 0.00 0.00 41.25 41.87 3hfa s ASN 45 CO 0.34 -0.30 1.43 -0.65 -2.79 0.00 0.00 177.10 175.13 3hfa h PRO 46 N 8.12 0.49 -6.87 0.43 0.11 -1.79 -3.20 132.00 129.28 3hfa h PRO 46 Ca -0.18 -0.38 -0.56 0.00 0.11 0.00 0.00 66.00 64.99 3hfa h PRO 46 Cb 1.15 0.07 0.13 0.00 0.11 0.00 0.00 31.00 32.47 3hfa h PRO 46 CO 0.26 1.00 0.46 0.45 -0.21 0.00 0.00 178.00 179.97 3hfa n SER 47 N -3.88 2.33 0.07 -2.05 2.88 -1.26 -4.78 113.62 106.93 3hfa n SER 47 Ca -0.04 1.04 -0.11 0.00 -1.33 0.00 0.00 58.87 58.42 3hfa n SER 47 Cb 0.69 -1.50 -0.13 0.00 -0.75 0.00 0.00 64.21 62.52 3hfa n SER 47 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3hfa h ARG 48 N 1.72 0.12 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.53 3hfa h ARG 48 Ca -0.49 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.39 3hfa h ARG 48 Cb 1.31 0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.46 3hfa h ARG 48 CO 0.58 1.04 -0.44 -1.13 0.10 0.00 0.00 179.97 180.13 3hfa n SER 49 N -3.40 2.18 -4.64 0.08 3.41 -1.26 -5.00 113.62 105.00 3hfa n SER 49 Ca -0.06 -0.11 -0.40 0.00 -0.26 0.00 0.00 58.87 58.05 3hfa n SER 49 Cb 0.99 0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 65.52 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 -1.73 4.10 -0.02 1.04 1.43 -1.26 -5.06 118.68 117.18 3hfa s LEU 50 Ca 0.00 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 3hfa s LEU 50 Cb 0.00 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3hfa s LEU 50 CO 0.00 -0.24 -0.09 -1.10 0.23 0.00 0.00 176.35 175.15 3hfa s GLN 51 N 2.01 2.54 0.00 1.70 -0.21 -1.26 -4.76 119.66 119.68 3hfa s GLN 51 Ca 0.23 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 54.96 3hfa s GLN 51 Cb -0.15 -2.48 0.05 0.00 1.00 0.00 0.00 33.01 31.43 3hfa s GLN 51 CO 0.09 0.61 0.69 0.36 -2.12 0.00 0.00 175.29 174.93 3hfa n LYS 52 N 1.80 -0.13 -5.03 2.91 2.85 -1.26 -4.97 118.16 114.33 3hfa n LYS 52 Ca -0.16 -0.87 -0.28 0.00 -1.05 0.00 0.00 58.31 55.95 3hfa n LYS 52 Cb 0.53 -1.11 -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 -0.49 1.73 0.05 0.58 1.01 -1.26 -1.29 121.20 121.53 3hfa s ILE 53 Ca 0.07 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 59.49 3hfa s ILE 53 Cb 0.05 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 41.14 3hfa s ILE 53 CO 0.07 0.45 0.59 -0.55 0.00 0.00 0.00 174.94 175.51 3hfa s SER 54 N -0.61 -0.55 0.34 3.58 0.15 0.33 -5.00 113.70 111.95 3hfa s SER 54 Ca 0.08 0.29 -0.27 0.00 0.70 0.00 0.00 55.95 56.75 3hfa s SER 54 Cb -0.08 0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 3hfa s SER 54 CO -0.00 -0.76 1.14 -0.70 1.20 0.00 0.00 173.24 174.11 3hfa s GLU 55 N -2.46 4.35 -0.13 5.44 2.12 -1.26 -0.53 118.70 126.23 3hfa s GLU 55 Ca -0.05 1.82 -0.07 0.00 0.36 0.00 0.00 54.97 57.03 3hfa s GLU 55 Cb -0.01 -2.92 -0.06 0.00 0.26 0.00 0.00 34.13 31.41 3hfa s GLU 55 CO -0.02 -0.05 -0.17 1.28 -0.54 0.00 0.00 175.26 175.76 3hfa n LEU 56 N 0.61 0.93 0.00 2.70 4.77 -0.41 -4.84 117.00 120.76 3hfa n LEU 56 Ca 0.02 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 3hfa n LEU 56 Cb 0.46 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3hfa n LEU 56 CO 0.52 0.26 0.20 0.00 -1.33 0.00 0.00 177.39 177.04 3hfa n TYR 57 N -3.59 -1.42 -0.38 -1.77 9.36 -0.93 -4.76 117.16 113.67 3hfa n TYR 57 Ca -0.25 -1.65 -0.03 0.00 3.32 0.00 0.00 57.90 59.29 3hfa n TYR 57 Cb 0.67 0.49 0.01 0.00 -0.63 0.00 0.00 39.34 39.88 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 -1.65 -0.72 -0.30 2.98 8.00 -1.26 -2.10 116.55 121.50 3hfa n ASP 58 Ca -0.01 1.68 0.04 0.00 0.71 0.00 0.00 54.79 57.21 3hfa n ASP 58 Cb 0.44 -0.35 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 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 -5.36 2.67 -5.03 -1.24 5.12 -1.26 -0.67 116.66 110.89 3hfa n ARG 59 Ca 0.08 -2.00 -0.30 0.00 -1.93 0.00 0.00 57.85 53.70 3hfa n ARG 59 Cb 0.35 -1.26 -0.17 0.00 -1.16 0.00 0.00 32.46 30.22 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 -1.53 1.81 0.38 1.55 1.01 -0.89 -1.90 120.40 120.82 3hfa s VAL 60 Ca 0.17 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3hfa s VAL 60 Cb 0.12 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 3hfa s VAL 60 CO 0.06 0.50 -0.02 -0.83 0.00 0.00 0.00 175.10 174.82 3hfa s GLY 61 N 0.45 2.35 -0.01 4.51 0.00 0.23 -1.29 107.32 113.56 3hfa s GLY 61 Ca -0.17 -2.21 0.00 0.00 0.00 0.00 0.00 44.72 42.34 3hfa s GLY 61 CO 0.07 -2.04 0.00 -0.12 0.00 0.00 0.00 173.10 171.01 3hfa s PHE 62 N -2.75 0.08 -0.02 1.90 5.36 0.32 -1.48 117.98 121.39 3hfa s PHE 62 Ca 0.34 0.02 -0.05 0.00 -0.96 0.00 0.00 56.93 56.29 3hfa s PHE 62 Cb 0.08 -0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 3hfa s PHE 62 CO 0.17 -0.04 0.10 0.00 -1.46 0.00 0.00 175.22 173.99 3hfa s ALA 63 N 0.37 -0.24 0.02 11.12 0.00 -0.53 -0.51 121.76 131.99 3hfa s ALA 63 Ca -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 3hfa s ALA 63 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 3hfa s ALA 63 CO -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 175.76 175.69 3hfa s ALA 64 N -0.68 -0.06 0.10 0.00 0.00 -0.41 -0.20 121.76 120.51 3hfa s ALA 64 Ca -0.08 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.50 3hfa s ALA 64 Cb -0.05 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3hfa s ALA 64 CO 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 175.76 175.32 3hfa s ALA 65 N -1.98 1.78 0.00 0.00 0.00 -0.52 -4.86 121.76 116.18 3hfa s ALA 65 Ca -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3hfa s ALA 65 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3hfa s ALA 65 CO -0.02 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3hfa n GLY 66 N 1.14 0.23 3.65 0.00 0.00 -1.26 -1.51 105.19 107.43 3hfa n GLY 66 Ca -0.19 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.16 4.12 0.11 1.61 2.20 -0.50 -4.91 119.74 122.21 3hfa s LYS 67 Ca 0.00 1.49 -0.24 0.00 -0.36 0.00 0.00 55.97 56.86 3hfa s LYS 67 Cb 0.00 -3.80 -0.07 0.00 -1.51 0.00 0.00 37.83 32.45 3hfa s LYS 67 CO 0.00 -0.85 1.68 0.35 -0.36 0.00 0.00 175.35 176.16 3hfa h PHE 68 N 8.54 -0.37 -0.37 4.03 3.57 -1.95 -1.70 116.94 128.70 3hfa h PHE 68 Ca -0.26 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.34 3hfa h PHE 68 Cb 1.10 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3hfa h PHE 68 CO 0.83 -0.21 0.26 -2.95 -2.23 0.00 0.00 178.31 174.00 3hfa h ASN 69 N -0.25 0.12 0.03 0.41 7.08 -1.99 0.11 115.58 121.10 3hfa h ASN 69 Ca 0.05 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.19 3hfa h ASN 69 Cb 0.30 -0.02 0.01 0.00 -2.08 0.00 0.00 38.32 36.53 3hfa h ASN 69 CO -0.14 0.08 -0.34 -0.33 -2.08 0.00 0.00 177.43 174.62 3hfa h GLU 70 N 0.14 0.18 0.00 4.14 5.08 -1.77 -2.58 114.58 119.77 3hfa h GLU 70 Ca 0.17 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3hfa h GLU 70 Cb 0.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3hfa h GLU 70 CO -0.02 1.02 -0.31 0.27 -1.00 0.00 0.00 179.01 178.96 3hfa h PHE 71 N -0.55 0.00 -0.48 4.33 -5.15 -0.99 -2.58 116.94 111.52 3hfa h PHE 71 Ca -0.05 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.60 3hfa h PHE 71 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.32 3hfa h PHE 71 CO 0.20 0.31 -0.15 0.22 -2.00 0.00 0.00 178.31 176.89 3hfa h ASP 72 N 0.00 0.96 -0.46 -0.68 3.58 -0.87 0.96 116.42 119.90 3hfa h ASP 72 Ca -0.00 -0.38 0.09 0.00 0.42 0.00 0.00 57.03 57.16 3hfa h ASP 72 Cb 1.01 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.72 3hfa h ASP 72 CO 0.04 1.12 0.01 0.78 -2.88 0.00 0.00 179.24 178.31 3hfa h ASN 73 N 0.79 -0.17 -0.32 2.28 2.35 -1.23 -0.79 115.58 118.50 3hfa h ASN 73 Ca 0.12 0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 3hfa h ASN 73 Cb 0.72 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 3hfa h ASN 73 CO 0.05 -0.05 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.65 3hfa h LEU 74 N 0.12 0.68 0.21 1.61 3.38 -1.17 -0.81 115.31 119.33 3hfa h LEU 74 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hfa h LEU 74 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hfa h LEU 74 CO -0.38 0.79 -0.13 -0.09 0.09 0.00 0.00 178.44 178.72 3hfa h ARG 75 N 0.65 -0.32 -0.75 1.13 2.43 -0.36 -0.52 114.38 116.64 3hfa h ARG 75 Ca 0.12 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3hfa h ARG 75 Cb 0.49 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 3hfa h ARG 75 CO 0.03 -0.22 0.46 0.00 -1.51 0.00 0.00 179.97 178.73 3hfa h ARG 76 N -0.34 1.01 -0.60 0.20 3.08 -0.95 -1.34 114.38 115.44 3hfa h ARG 76 Ca -0.02 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3hfa h ARG 76 Cb 0.28 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3hfa h ARG 76 CO 0.02 0.70 0.08 0.78 -1.07 0.00 0.00 179.97 180.48 3hfa h GLY 77 N 1.05 1.07 0.95 0.04 0.00 -0.82 -0.80 103.07 104.57 3hfa h GLY 77 Ca 0.27 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3hfa h GLY 77 CO -0.05 0.65 -0.12 -1.33 0.00 0.00 0.00 176.54 175.69 3hfa h GLY 78 N 1.02 0.77 1.01 4.60 0.00 -0.44 -0.24 103.07 109.78 3hfa h GLY 78 Ca 0.18 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3hfa h GLY 78 CO 0.01 0.60 0.29 -2.22 0.00 0.00 0.00 176.54 175.22 3hfa h ILE 79 N 0.50 1.23 -0.25 2.60 2.04 -1.04 0.16 117.51 122.74 3hfa h ILE 79 Ca 0.09 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3hfa h ILE 79 Cb 0.64 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3hfa h ILE 79 CO 0.04 0.28 0.07 -0.61 0.00 0.00 0.00 178.15 177.93 3hfa h GLN 80 N 0.92 0.17 0.15 2.37 5.75 -0.98 -1.05 115.11 122.45 3hfa h GLN 80 Ca 0.22 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 3hfa h GLN 80 Cb 0.17 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.68 3hfa h GLN 80 CO -0.02 0.11 -0.07 0.35 -2.65 0.00 0.00 178.83 176.55 3hfa h PHE 81 N 0.18 -0.19 -0.00 3.99 3.57 -0.40 -2.03 116.94 122.06 3hfa h PHE 81 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hfa h PHE 81 Cb 0.09 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3hfa h PHE 81 CO -0.14 -0.07 -0.08 0.00 -2.23 0.00 0.00 178.31 175.79 3hfa h ALA 82 N 0.58 -0.08 -0.45 2.41 0.00 -0.61 -0.91 119.26 120.20 3hfa h ALA 82 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 82 Cb 0.21 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hfa h ALA 82 CO 0.03 -0.57 0.12 -0.44 0.00 0.00 0.00 179.25 178.40 3hfa h ASP 83 N -0.14 0.61 -0.14 0.00 3.32 -1.18 -0.18 116.42 118.71 3hfa h ASP 83 Ca 0.03 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3hfa h ASP 83 Cb 0.18 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hfa h ASP 83 CO -0.08 0.60 -0.04 0.74 -1.72 0.00 0.00 179.24 178.74 3hfa h THR 84 N 0.65 1.29 -0.27 0.35 2.02 -1.13 -2.06 112.91 113.77 3hfa h THR 84 Ca 0.15 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 3hfa h THR 84 Cb 0.22 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3hfa h THR 84 CO -0.01 0.29 0.13 0.03 0.37 0.00 0.00 175.52 176.33 3hfa h ARG 85 N -0.03 0.39 -0.87 6.66 2.47 -0.83 -0.32 114.38 121.84 3hfa h ARG 85 Ca 0.04 -0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.76 3hfa h ARG 85 Cb 0.47 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.66 3hfa h ARG 85 CO 0.01 0.38 0.57 0.78 0.56 0.00 0.00 179.97 182.27 3hfa h GLY 86 N 0.30 1.25 1.46 0.04 0.00 -1.07 0.29 103.07 105.34 3hfa h GLY 86 Ca 0.09 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.81 3hfa h GLY 86 CO -0.01 0.30 -0.84 -1.82 0.00 0.00 0.00 176.54 174.17 3hfa h TYR 87 N 0.99 0.72 0.00 5.60 3.20 -1.02 -3.02 116.97 123.44 3hfa h TYR 87 Ca 0.37 -0.35 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 3hfa h TYR 87 Cb 0.18 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3hfa h TYR 87 CO -0.00 1.15 -0.75 0.00 -1.64 0.00 0.00 178.16 176.91 3hfa h ALA 88 N 0.75 0.58 -3.00 1.82 0.00 -0.56 -3.44 119.26 115.41 3hfa h ALA 88 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3hfa h ALA 88 Cb 1.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hfa h ALA 88 CO 0.15 0.94 0.00 0.66 0.00 0.00 0.00 179.25 181.00 3hfa n TYR 89 N -3.39 0.00 -3.90 0.00 4.01 0.05 -5.09 117.16 108.84 3hfa n TYR 89 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 3hfa n TYR 89 Cb 0.80 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.74 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 0.64 0.15 0.31 7.72 2.15 -1.14 -4.96 116.67 121.54 3hfa s ASP 90 Ca 0.00 -0.56 0.01 0.00 0.43 0.00 0.00 52.55 52.43 3hfa s ASP 90 Cb 0.00 0.27 0.56 0.00 -0.30 0.00 0.00 42.92 43.45 3hfa s ASP 90 CO 0.00 -0.58 1.91 0.03 -0.17 0.00 0.00 175.17 176.36 3hfa h ARG 91 N 3.34 0.96 0.00 4.34 3.08 -1.89 -1.14 114.38 123.08 3hfa h ARG 91 Ca -0.33 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3hfa h ARG 91 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3hfa h ARG 91 CO 0.53 0.64 0.00 0.54 -1.07 0.00 0.00 179.97 180.60 3hfa n ARG 92 N -4.49 0.02 0.00 0.04 5.12 -1.26 -2.46 116.66 113.63 3hfa n ARG 92 Ca 0.14 0.29 0.13 0.00 -1.93 0.00 0.00 57.85 56.48 3hfa n ARG 92 Cb 0.21 -1.55 0.44 0.00 -1.16 0.00 0.00 32.46 30.40 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 1.07 -4.70 0.55 8.00 -0.43 -4.82 116.55 114.64 3hfa n ASP 93 Ca 0.03 -0.99 -0.38 0.00 0.71 0.00 0.00 54.79 54.15 3hfa n ASP 93 Cb 0.16 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.38 5.17 0.15 2.53 1.01 -1.03 -5.00 120.40 120.85 3hfa s VAL 94 Ca 0.28 0.91 0.05 0.00 0.00 0.00 0.00 61.98 63.21 3hfa s VAL 94 Cb 0.20 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3hfa s VAL 94 CO 0.47 0.27 -0.10 0.42 0.00 0.00 0.00 175.10 176.16 3hfa s THR 95 N 1.03 1.20 0.25 3.92 -4.23 -1.26 -4.99 115.64 111.56 3hfa s THR 95 Ca 0.24 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 3hfa s THR 95 Cb -0.15 -1.85 0.16 0.00 1.34 0.00 0.00 72.50 72.00 3hfa s THR 95 CO 0.09 -0.73 1.81 1.23 -0.54 0.00 0.00 174.62 176.48 3hfa h GLY 96 N 2.79 1.10 0.68 3.99 0.00 -1.93 -2.35 103.07 107.35 3hfa h GLY 96 Ca -0.37 -0.61 0.05 0.00 0.00 0.00 0.00 47.33 46.40 3hfa h GLY 96 CO 0.63 0.57 0.19 -0.09 0.00 0.00 0.00 176.54 177.84 3hfa h ARG 97 N 0.99 0.37 -0.22 4.80 2.43 -1.96 0.78 114.38 121.58 3hfa h ARG 97 Ca 0.22 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3hfa h ARG 97 Cb 0.24 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3hfa h ARG 97 CO -0.01 0.24 -0.01 0.37 -1.51 0.00 0.00 179.97 179.05 3hfa h GLN 98 N 0.38 0.06 -0.53 0.20 4.15 -1.88 0.77 115.11 118.25 3hfa h GLN 98 Ca 0.20 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 3hfa h GLN 98 Cb 0.16 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3hfa h GLN 98 CO -0.18 0.04 0.09 -0.07 -1.93 0.00 0.00 178.83 176.78 3hfa h LEU 99 N 0.06 0.84 -0.45 -2.39 3.38 -1.10 -1.62 115.31 114.02 3hfa h LEU 99 Ca 0.10 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3hfa h LEU 99 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hfa h LEU 99 CO -0.18 0.88 0.30 0.00 0.09 0.00 0.00 178.44 179.53 3hfa h ALA 100 N 0.99 0.57 -0.60 1.53 0.00 -0.55 -0.75 119.26 120.46 3hfa h ALA 100 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 100 Cb 0.39 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3hfa h ALA 100 CO 0.01 0.02 0.29 -0.97 0.00 0.00 0.00 179.25 178.60 3hfa h ASN 101 N 0.61 0.38 0.17 0.00 -0.73 -0.64 -0.37 115.58 115.01 3hfa h ASN 101 Ca 0.17 0.05 -0.15 0.00 1.87 0.00 0.00 56.30 58.23 3hfa h ASN 101 Cb -0.07 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 3hfa h ASN 101 CO -0.04 0.25 -0.56 1.62 -0.37 0.00 0.00 177.43 178.33 3hfa h VAL 102 N 0.53 1.34 -0.61 2.57 3.04 -0.87 -2.05 116.25 120.21 3hfa h VAL 102 Ca 0.28 -1.85 -0.07 0.00 -1.01 0.00 0.00 66.70 64.05 3hfa h VAL 102 Cb 0.24 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 3hfa h VAL 102 CO -0.22 0.56 0.10 1.88 -1.01 0.00 0.00 177.57 178.89 3hfa h TYR 103 N 0.31 1.08 -0.10 3.17 0.05 -0.73 0.09 116.97 120.84 3hfa h TYR 103 Ca 0.00 -0.15 0.03 0.00 0.05 0.00 0.00 58.73 58.66 3hfa h TYR 103 Cb 1.08 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 3hfa h TYR 103 CO 0.03 0.92 -0.07 0.00 -1.05 0.00 0.00 178.16 178.00 3hfa h ALA 104 N 1.02 0.02 -0.62 3.88 0.00 -0.79 0.20 119.26 122.97 3hfa h ALA 104 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hfa h ALA 104 Cb 0.42 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hfa h ALA 104 CO 0.01 -0.53 0.30 0.37 0.00 0.00 0.00 179.25 179.40 3hfa h GLN 105 N -0.07 0.89 0.15 0.00 4.15 -1.27 -0.29 115.11 118.67 3hfa h GLN 105 Ca 0.07 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3hfa h GLN 105 Cb 0.17 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3hfa h GLN 105 CO -0.15 0.72 -0.07 1.15 -1.93 0.00 0.00 178.83 178.55 3hfa h THR 106 N 0.85 0.95 -0.46 2.39 2.02 -0.56 -1.87 112.91 116.24 3hfa h THR 106 Ca 0.21 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 3hfa h THR 106 Cb 0.12 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3hfa h THR 106 CO -0.03 0.10 0.05 -0.07 0.37 0.00 0.00 175.52 175.95 3hfa h LEU 107 N -0.41 0.67 -0.33 2.58 3.38 -0.57 -0.32 115.31 120.32 3hfa h LEU 107 Ca -0.02 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3hfa h LEU 107 Cb 0.32 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3hfa h LEU 107 CO 0.03 0.71 0.08 1.23 0.09 0.00 0.00 178.44 180.58 3hfa h GLY 108 N 0.93 0.39 0.94 0.83 0.00 -0.96 0.25 103.07 105.45 3hfa h GLY 108 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3hfa h GLY 108 CO 0.01 -0.00 0.16 -0.84 0.00 0.00 0.00 176.54 175.87 3hfa h THR 109 N 0.20 1.16 -0.58 4.70 2.02 -0.87 -2.75 112.91 116.79 3hfa h THR 109 Ca 0.15 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3hfa h THR 109 Cb 0.15 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3hfa h THR 109 CO -0.18 0.17 0.37 0.40 0.37 0.00 0.00 175.52 176.64 3hfa h ILE 110 N 0.41 1.16 -0.49 3.11 2.04 -0.73 -0.72 117.51 122.29 3hfa h ILE 110 Ca 0.12 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3hfa h ILE 110 Cb 0.11 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3hfa h ILE 110 CO -0.02 0.16 0.26 0.15 0.00 0.00 0.00 178.15 178.70 3hfa h PHE 111 N 0.78 0.66 0.00 1.37 3.57 -0.35 -1.54 116.94 121.43 3hfa h PHE 111 Ca 0.21 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3hfa h PHE 111 Cb -0.06 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 3hfa h PHE 111 CO -0.03 0.48 -1.72 0.25 -2.23 0.00 0.00 178.31 175.06 3hfa n THR 112 N -4.40 0.41 -0.00 4.41 -2.24 -1.05 -4.71 114.28 106.70 3hfa n THR 112 Ca 0.04 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3hfa n THR 112 Cb 0.11 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.48 1.94 -1.21 -0.78 1.02 -0.30 -5.03 120.64 113.80 3hfa n GLU 113 Ca -0.06 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 3hfa n GLU 113 Cb 0.64 -1.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.16 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 -2.00 2.07 0.24 3.49 2.00 -0.59 -4.93 119.66 119.94 3hfa s GLN 114 Ca -0.00 1.29 -0.05 0.00 -2.00 0.00 0.00 55.36 54.61 3hfa s GLN 114 Cb 0.00 -1.87 0.27 0.00 0.80 0.00 0.00 33.01 32.21 3hfa s GLN 114 CO 0.00 -1.80 1.79 0.00 -0.50 0.00 0.00 175.29 174.78 3hfa h ALA 115 N -1.11 1.11 -3.97 1.58 0.00 -1.96 -3.42 119.26 111.49 3hfa h ALA 115 Ca -0.44 -0.21 -0.38 0.00 0.00 0.00 0.00 54.91 53.88 3hfa h ALA 115 Cb 1.24 -0.26 -0.28 0.00 0.00 0.00 0.00 17.79 18.49 3hfa h ALA 115 CO 0.50 0.61 -0.77 0.21 0.00 0.00 0.00 179.25 179.79 3hfa s LYS 116 N -5.34 0.70 0.57 0.00 2.20 -1.26 -5.14 119.74 111.47 3hfa s LYS 116 Ca -0.11 -0.35 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 3hfa s LYS 116 Cb 0.15 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 3hfa s LYS 116 CO 0.82 0.18 1.09 -1.25 -0.36 0.00 0.00 175.35 175.83 3hfa s PRO 117 N -0.30 3.30 0.06 4.03 0.05 -1.26 -4.92 135.00 135.95 3hfa s PRO 117 Ca 0.03 1.41 -0.31 0.00 0.05 0.00 0.00 61.00 62.18 3hfa s PRO 117 Cb -0.04 -2.02 -0.06 0.00 0.05 0.00 0.00 34.50 32.44 3hfa s PRO 117 CO -0.00 -0.86 1.22 0.71 0.05 0.00 0.00 177.00 178.12 3hfa s TYR 118 N -2.11 3.40 -1.23 0.56 1.51 -1.26 -4.88 117.35 113.32 3hfa s TYR 118 Ca 0.68 1.26 -0.10 0.00 -1.01 0.00 0.00 57.07 57.90 3hfa s TYR 118 Cb -0.20 -3.44 0.19 0.00 -0.11 0.00 0.00 41.96 38.40 3hfa s TYR 118 CO 0.31 -1.39 1.70 0.39 -1.11 0.00 0.00 175.55 175.46 3hfa n GLU 119 N 4.04 3.66 -4.00 -0.62 1.02 -1.26 -4.79 120.64 118.69 3hfa n GLU 119 Ca 0.09 -3.76 -0.08 0.00 -0.02 0.00 0.00 57.16 53.39 3hfa n GLU 119 Cb 0.46 -2.89 -0.09 0.00 -0.02 0.00 0.00 31.44 28.90 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 0.22 0.18 -0.02 2.62 -7.23 -1.26 -1.42 120.40 113.49 3hfa s VAL 120 Ca 0.39 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 3hfa s VAL 120 Cb 0.05 -1.27 0.02 0.00 0.56 0.00 0.00 36.38 35.74 3hfa s VAL 120 CO 0.01 -0.81 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.27 3hfa s GLU 121 N -3.48 0.42 0.09 4.82 2.12 -0.57 -3.35 118.70 118.74 3hfa s GLU 121 Ca 0.03 -0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.41 3hfa s GLU 121 Cb 0.04 -0.51 -0.04 0.00 0.26 0.00 0.00 34.13 33.89 3hfa s GLU 121 CO -0.09 -0.06 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.91 3hfa s LEU 122 N 0.69 2.80 -0.10 2.70 1.43 0.18 -1.44 118.68 124.94 3hfa s LEU 122 Ca -0.07 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3hfa s LEU 122 Cb -0.11 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3hfa s LEU 122 CO -0.01 0.20 -0.16 0.00 0.23 0.00 0.00 176.35 176.61 3hfa s VAL 124 N 0.81 3.67 0.10 0.00 1.01 -0.14 -1.45 120.40 124.40 3hfa s VAL 124 Ca -0.10 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3hfa s VAL 124 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3hfa s VAL 124 CO 0.01 0.51 -0.18 0.00 0.00 0.00 0.00 175.10 175.45 3hfa s ALA 125 N 0.22 1.56 -0.01 5.51 0.00 -0.55 -0.20 121.76 128.29 3hfa s ALA 125 Ca -0.04 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3hfa s ALA 125 Cb -0.14 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hfa s ALA 125 CO 0.03 0.26 -0.00 -2.00 0.00 0.00 0.00 175.76 174.05 3hfa s GLU 126 N -1.97 0.05 0.40 0.00 2.12 -0.35 -0.60 118.70 118.35 3hfa s GLU 126 Ca 0.04 0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.46 3hfa s GLU 126 Cb -0.09 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.14 3hfa s GLU 126 CO 0.04 -0.02 0.18 0.14 -0.54 0.00 0.00 175.26 175.05 3hfa s VAL 127 N 0.23 2.41 0.74 3.70 -7.23 -0.80 -1.04 120.40 118.41 3hfa s VAL 127 Ca -0.02 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 3hfa s VAL 127 Cb -0.03 -2.98 0.04 0.00 0.56 0.00 0.00 36.38 33.97 3hfa s VAL 127 CO -0.01 -0.03 1.20 0.00 -0.31 0.00 0.00 175.10 175.95 3hfa s ALA 128 N -2.57 2.10 0.62 1.32 0.00 -1.26 -4.87 121.76 117.09 3hfa s ALA 128 Ca 0.41 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 3hfa s ALA 128 Cb 0.03 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3hfa s ALA 128 CO 0.23 -1.90 1.07 -1.01 0.00 0.00 0.00 175.76 174.14 3hfa s HIS 129 N -2.06 2.91 -0.00 0.00 3.76 -1.26 -4.80 115.29 113.83 3hfa s HIS 129 Ca 0.73 1.51 -0.37 0.00 -0.15 0.00 0.00 55.06 56.79 3hfa s HIS 129 Cb -0.28 -3.03 -0.15 0.00 1.11 0.00 0.00 32.58 30.22 3hfa s HIS 129 CO 0.46 -1.27 1.53 0.98 -0.85 0.00 0.00 174.74 175.59 3hfa n TYR 130 N -2.26 1.86 -1.00 1.40 9.36 -1.26 -0.97 117.16 124.29 3hfa n TYR 130 Ca 0.09 0.48 -0.00 0.00 3.32 0.00 0.00 57.90 61.79 3hfa n TYR 130 Cb 0.53 -2.43 -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 3.27 0.48 3.75 2.98 0.00 -1.26 -5.03 105.19 109.38 3hfa n GLY 131 Ca 0.20 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.11 2.68 -0.23 1.61 2.02 -0.15 -5.10 118.70 119.42 3hfa s GLU 132 Ca 0.00 -1.13 -0.05 0.00 0.02 0.00 0.00 54.97 53.81 3hfa s GLU 132 Cb 0.00 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 3hfa s GLU 132 CO 0.00 0.41 -0.00 0.95 0.02 0.00 0.00 175.26 176.64 3hfa s THR 133 N -2.08 3.67 -0.29 3.63 -4.23 -1.26 -4.76 115.64 110.32 3hfa s THR 133 Ca 0.31 -0.42 -0.14 0.00 -1.18 0.00 0.00 61.69 60.26 3hfa s THR 133 Cb -0.08 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.17 3hfa s THR 133 CO 0.23 0.37 0.75 -0.75 -0.54 0.00 0.00 174.62 174.68 3hfa s LYS 134 N 1.52 0.58 0.28 3.99 2.20 -1.26 -5.07 119.74 121.98 3hfa s LYS 134 Ca 0.06 1.16 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 3hfa s LYS 134 Cb -0.15 0.37 -0.13 0.00 -1.51 0.00 0.00 37.83 36.41 3hfa s LYS 134 CO -0.01 -0.15 1.35 0.54 -0.36 0.00 0.00 175.35 176.72 3hfa n ARG 135 N 4.60 2.05 -1.55 4.03 1.74 -1.26 -4.25 116.66 122.02 3hfa n ARG 135 Ca -0.17 0.73 -0.37 0.00 -0.77 0.00 0.00 57.85 57.27 3hfa n ARG 135 Cb 0.55 -2.35 0.07 0.00 -1.02 0.00 0.00 32.46 29.72 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 1.43 0.79 -5.05 5.56 -0.02 -1.26 -4.80 135.00 131.66 3hfa n PRO 136 Ca 0.09 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 3hfa n PRO 136 Cb 0.33 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 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 -3.06 2.81 -0.11 -0.52 2.02 -0.21 -4.98 118.70 114.65 3hfa s GLU 137 Ca 0.77 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.99 3hfa s GLU 137 Cb -0.38 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.50 3hfa s GLU 137 CO 0.46 0.37 -0.22 -0.51 0.02 0.00 0.00 175.26 175.39 3hfa s LEU 138 N -0.11 2.03 -0.03 1.80 1.43 -1.22 -1.22 118.68 121.36 3hfa s LEU 138 Ca -0.04 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 3hfa s LEU 138 Cb -0.14 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 3hfa s LEU 138 CO 0.04 0.11 -0.22 -0.31 0.23 0.00 0.00 176.35 176.19 3hfa s TYR 139 N 0.60 2.44 -0.16 0.29 2.02 0.72 -0.42 117.35 122.85 3hfa s TYR 139 Ca -0.13 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 3hfa s TYR 139 Cb -0.17 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3hfa s TYR 139 CO 0.03 0.02 -0.16 0.50 -1.57 0.00 0.00 175.55 174.38 3hfa s ARG 140 N -0.63 3.19 -0.16 -0.62 3.00 0.41 -0.97 118.95 123.17 3hfa s ARG 140 Ca 0.10 -0.76 -0.01 0.00 -1.00 0.00 0.00 55.73 54.07 3hfa s ARG 140 Cb -0.10 -2.62 -0.01 0.00 0.00 0.00 0.00 34.95 32.22 3hfa s ARG 140 CO -0.00 -0.01 -0.13 0.42 0.00 0.00 0.00 175.30 175.58 3hfa s ILE 141 N 0.87 2.87 0.59 4.11 1.09 0.07 -1.61 121.20 129.19 3hfa s ILE 141 Ca -0.04 -0.70 0.08 0.00 -1.10 0.00 0.00 60.65 58.89 3hfa s ILE 141 Cb -0.15 -2.23 0.09 0.00 -1.06 0.00 0.00 42.46 39.11 3hfa s ILE 141 CO -0.01 0.50 0.82 0.42 -0.10 0.00 0.00 174.94 176.57 3hfa s THR 142 N 0.83 2.20 0.56 2.92 -4.23 -0.54 -0.64 115.64 116.74 3hfa s THR 142 Ca -0.04 -0.92 0.38 0.00 -1.18 0.00 0.00 61.69 59.93 3hfa s THR 142 Cb -0.15 -2.28 0.40 0.00 1.34 0.00 0.00 72.50 71.81 3hfa s THR 142 CO 0.00 0.00 2.27 0.10 -0.54 0.00 0.00 174.62 176.45 3hfa h TYR 143 N 0.07 0.00 -0.38 3.99 -0.00 -1.86 -1.43 116.97 117.36 3hfa h TYR 143 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.41 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 0.02 0.00 -0.40 -0.00 0.00 0.00 178.16 178.09 3hfa n ASP 144 N -3.34 3.46 0.00 0.10 5.75 -1.26 -4.51 116.55 116.75 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 0.12 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.69 3.76 6.12 0.00 -0.54 -4.08 105.19 112.63 3hfa n GLY 145 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.94 5.96 0.02 1.61 0.01 -1.26 -4.64 113.70 112.45 3hfa s SER 146 Ca 0.00 2.80 0.01 0.00 1.31 0.00 0.00 55.95 60.07 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 -1.10 -0.05 -0.51 0.41 0.00 0.00 173.24 171.99 3hfa s ILE 147 N -1.24 0.35 -0.13 1.44 2.07 -1.26 -1.47 121.20 120.95 3hfa s ILE 147 Ca 0.61 -0.59 -0.11 0.00 -1.41 0.00 0.00 60.65 59.15 3hfa s ILE 147 Cb -0.41 -0.37 0.04 0.00 0.13 0.00 0.00 42.46 41.85 3hfa s ILE 147 CO 0.52 -0.17 0.35 0.00 -1.91 0.00 0.00 174.94 173.73 3hfa s ALA 148 N -0.74 -0.85 -0.11 1.50 0.00 -0.64 -5.00 121.76 115.92 3hfa s ALA 148 Ca -0.05 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 3hfa s ALA 148 Cb -0.06 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3hfa s ALA 148 CO -0.00 -0.18 0.24 0.16 0.00 0.00 0.00 175.76 175.98 3hfa s ASP 149 N 0.48 6.48 0.01 0.00 1.47 -1.26 -0.45 116.67 123.40 3hfa s ASP 149 Ca -0.02 0.56 0.05 0.00 1.18 0.00 0.00 52.55 54.31 3hfa s ASP 149 Cb -0.04 -2.14 -0.03 0.00 -0.34 0.00 0.00 42.92 40.36 3hfa s ASP 149 CO -0.02 0.28 -0.11 -1.61 0.68 0.00 0.00 175.17 174.38 3hfa s GLU 150 N -0.48 2.39 0.05 2.11 0.41 0.44 -4.99 118.70 118.62 3hfa s GLU 150 Ca 0.16 -0.81 -0.14 0.00 -0.41 0.00 0.00 54.97 53.78 3hfa s GLU 150 Cb -0.13 -2.38 -0.32 0.00 -1.78 0.00 0.00 34.13 29.52 3hfa s GLU 150 CO 0.05 0.58 1.06 -1.35 -0.49 0.00 0.00 175.26 175.12 3hfa h PRO 151 N 4.62 0.55 0.00 0.39 0.11 -1.94 -3.24 132.00 132.49 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 0.30 0.00 0.00 0.11 0.00 0.00 31.00 32.57 3hfa h PRO 151 CO 0.51 1.39 -0.96 0.72 -0.21 0.00 0.00 178.00 179.45 3hfa n HIS 152 N -3.73 0.00 -3.55 0.65 8.25 -1.26 -4.83 115.22 110.75 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 1.05 0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.14 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 -0.36 -0.03 4.41 -0.12 -1.26 -0.70 117.98 117.94 3hfa s PHE 153 Ca 0.00 0.09 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 3hfa s PHE 153 Cb 0.00 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 3hfa s PHE 153 CO 0.00 -0.83 -0.08 0.08 -0.05 0.00 0.00 175.22 174.33 3hfa s VAL 154 N -3.79 0.74 -0.07 -2.49 1.01 0.02 -4.88 120.40 110.94 3hfa s VAL 154 Ca 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3hfa s VAL 154 Cb -0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 3hfa s VAL 154 CO -0.10 0.24 -0.22 -0.69 0.00 0.00 0.00 175.10 174.32 3hfa s VAL 155 N 0.23 1.89 0.01 2.92 1.01 -1.26 -1.17 120.40 124.03 3hfa s VAL 155 Ca -0.04 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 3hfa s VAL 155 Cb -0.09 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3hfa s VAL 155 CO 0.00 0.53 -0.02 -0.04 0.00 0.00 0.00 175.10 175.57 3hfa s MET 156 N 0.10 0.23 0.00 2.72 -1.94 -0.03 -5.00 119.30 115.39 3hfa s MET 156 Ca -0.10 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 3hfa s MET 156 Cb -0.15 0.08 0.00 0.00 2.01 0.00 0.00 34.83 36.77 3hfa s MET 156 CO 0.05 -0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 3hfa n GLY 157 N 1.97 -1.62 7.00 -0.03 0.00 -1.26 -0.56 105.19 110.68 3hfa n GLY 157 Ca -0.21 -1.39 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 -0.63 1.01 3.50 -0.02 0.00 -0.30 -4.23 105.19 104.51 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 4.39 -0.15 2.61 -4.23 -1.26 -4.52 115.64 112.47 3hfa s THR 159 Ca 0.00 0.06 0.17 0.00 -1.18 0.00 0.00 61.69 60.74 3hfa s THR 159 Cb 0.00 -4.57 -0.03 0.00 1.34 0.00 0.00 72.50 69.24 3hfa s THR 159 CO 0.00 -1.20 1.13 0.71 -0.54 0.00 0.00 174.62 174.72 3hfa h THR 160 N 6.00 0.60 0.07 3.99 1.35 -1.95 -3.39 112.91 119.57 3hfa h THR 160 Ca -0.27 -1.99 0.02 0.00 -0.55 0.00 0.00 66.41 63.63 3hfa h THR 160 Cb 1.07 2.16 -0.05 0.00 -1.73 0.00 0.00 68.15 69.60 3hfa h THR 160 CO 1.11 0.34 -0.42 -0.08 -0.25 0.00 0.00 175.52 176.23 3hfa h GLU 161 N 0.00 -0.59 -0.97 4.72 4.57 -1.95 0.20 114.58 120.55 3hfa h GLU 161 Ca -0.08 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3hfa h GLU 161 Cb 1.43 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 30.10 3hfa h GLU 161 CO 0.05 -0.40 0.63 -1.35 -1.18 0.00 0.00 179.01 176.76 3hfa h PRO 162 N -0.62 1.18 -0.18 0.92 0.11 -1.84 -0.04 132.00 131.54 3hfa h PRO 162 Ca 0.03 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3hfa h PRO 162 Cb 0.66 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3hfa h PRO 162 CO -0.27 0.78 0.02 0.82 -0.21 0.00 0.00 178.00 179.14 3hfa h ILE 163 N 1.21 1.23 -0.76 4.15 2.04 -1.56 -0.34 117.51 123.48 3hfa h ILE 163 Ca 0.39 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 3hfa h ILE 163 Cb 0.02 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3hfa h ILE 163 CO -0.13 0.23 0.28 0.00 0.00 0.00 0.00 178.15 178.53 3hfa h ALA 164 N 0.81 0.99 -0.18 1.87 0.00 -0.29 -1.10 119.26 121.37 3hfa h ALA 164 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hfa h ALA 164 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 164 CO 0.01 0.64 0.09 -0.91 0.00 0.00 0.00 179.25 179.07 3hfa h ASN 165 N 1.11 0.23 -0.69 0.00 2.35 -0.88 0.20 115.58 117.90 3hfa h ASN 165 Ca 0.25 -0.12 0.09 0.00 -0.55 0.00 0.00 56.30 55.97 3hfa h ASN 165 Cb 0.26 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.50 3hfa h ASN 165 CO -0.02 0.29 0.33 0.00 -1.65 0.00 0.00 177.43 176.38 3hfa h ALA 166 N 0.95 0.93 -0.01 -0.83 0.00 -0.80 -0.94 119.26 118.57 3hfa h ALA 166 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hfa h ALA 166 Cb 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hfa h ALA 166 CO -0.01 -0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.10 3hfa h LEU 167 N 0.57 0.01 -1.97 0.00 -0.00 -0.95 -0.80 115.31 112.16 3hfa h LEU 167 Ca 0.34 -0.23 0.09 0.00 -0.00 0.00 0.00 57.88 58.08 3hfa h LEU 167 Cb 0.36 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 3hfa h LEU 167 CO -0.27 0.24 0.42 0.50 -0.00 0.00 0.00 178.44 179.33 3hfa h LYS 168 N -0.22 0.00 0.00 1.13 3.64 -0.03 0.53 116.57 121.62 3hfa h LYS 168 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3hfa h LYS 168 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3hfa h LYS 168 CO 0.00 0.00 -0.98 1.49 -2.27 0.00 0.00 179.45 177.69 3hfa h GLU 169 N 0.00 0.00 -0.00 1.90 4.57 -0.85 -3.41 114.58 116.79 3hfa h GLU 169 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3hfa h GLU 169 Cb 0.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3hfa h GLU 169 CO -0.00 0.87 -0.76 -1.13 -1.18 0.00 0.00 179.01 176.82 3hfa n SER 170 N -4.48 1.12 -4.69 1.04 3.41 -0.33 -4.94 113.62 104.74 3hfa n SER 170 Ca -0.26 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.97 3hfa n SER 170 Cb 0.60 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 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 -2.86 2.63 -0.09 7.33 5.04 0.18 -5.00 117.35 124.58 3hfa s TYR 171 Ca 0.12 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.37 3hfa s TYR 171 Cb 0.17 -3.79 -0.01 0.00 0.35 0.00 0.00 41.96 38.67 3hfa s TYR 171 CO 0.76 -3.08 -0.19 0.00 -1.34 0.00 0.00 175.55 171.70 3hfa s ALA 172 N 2.59 2.39 0.36 3.97 0.00 -1.26 -5.00 121.76 124.81 3hfa s ALA 172 Ca 0.68 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 3hfa s ALA 172 Cb -0.35 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 3hfa s ALA 172 CO 0.29 0.34 1.40 -2.00 0.00 0.00 0.00 175.76 175.79 3hfa s GLU 173 N 0.08 4.19 -1.39 0.00 2.12 -1.26 -3.33 118.70 119.10 3hfa s GLU 173 Ca -0.08 2.40 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 3hfa s GLU 173 Cb -0.15 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3hfa s GLU 173 CO 0.05 -0.40 0.17 0.09 -0.54 0.00 0.00 175.26 174.63 3hfa n ASN 174 N 0.55 -5.10 -4.75 -1.70 3.02 -1.26 -4.95 115.26 101.07 3hfa n ASN 174 Ca 0.01 -0.09 -0.32 0.00 -0.03 0.00 0.00 54.58 54.15 3hfa n ASN 174 Cb 0.41 -4.11 0.10 0.00 -0.61 0.00 0.00 39.78 35.56 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 -2.92 2.14 0.89 5.41 0.00 -1.21 -4.27 121.76 121.81 3hfa s ALA 175 Ca 0.08 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3hfa s ALA 175 Cb -0.04 -3.33 0.13 0.00 0.00 0.00 0.00 23.12 19.88 3hfa s ALA 175 CO 0.10 -1.87 1.09 -1.54 0.00 0.00 0.00 175.76 173.55 3hfa s SER 176 N -3.04 3.51 0.16 0.00 1.04 -1.26 -1.73 113.70 112.39 3hfa s SER 176 Ca 0.64 1.48 -0.17 0.00 0.48 0.00 0.00 55.95 58.39 3hfa s SER 176 Cb -0.19 -2.16 0.08 0.00 0.10 0.00 0.00 66.02 63.84 3hfa s SER 176 CO 0.53 -2.61 1.70 0.25 0.98 0.00 0.00 173.24 174.09 3hfa h LEU 177 N -1.53 -0.13 -0.27 2.42 5.85 -1.98 0.40 115.31 120.05 3hfa h LEU 177 Ca -0.49 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hfa h LEU 177 Cb 1.28 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3hfa h LEU 177 CO 0.55 -0.03 0.17 0.74 -0.34 0.00 0.00 178.44 179.53 3hfa h THR 178 N 0.11 1.09 -0.46 1.05 2.02 -1.92 0.52 112.91 115.31 3hfa h THR 178 Ca 0.18 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3hfa h THR 178 Cb 0.24 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3hfa h THR 178 CO -0.29 0.08 0.15 0.44 0.37 0.00 0.00 175.52 176.28 3hfa h ASP 179 N 0.36 0.66 -0.34 4.18 3.32 -1.87 -1.44 116.42 121.30 3hfa h ASP 179 Ca 0.10 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.97 3hfa h ASP 179 Cb -0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3hfa h ASP 179 CO -0.02 0.68 0.18 0.00 -1.72 0.00 0.00 179.24 178.36 3hfa h ALA 180 N 1.00 0.42 -0.46 3.45 0.00 -0.69 -0.42 119.26 122.56 3hfa h ALA 180 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hfa h ALA 180 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hfa h ALA 180 CO -0.01 -0.18 0.25 1.25 0.00 0.00 0.00 179.25 180.57 3hfa h LEU 181 N 0.38 0.39 -0.13 0.00 5.85 -0.67 -0.10 115.31 121.03 3hfa h LEU 181 Ca 0.14 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3hfa h LEU 181 Cb 0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3hfa h LEU 181 CO -0.08 0.28 0.05 -0.09 -0.34 0.00 0.00 178.44 178.26 3hfa h ARG 182 N 0.51 0.19 -0.61 1.25 2.43 -0.93 0.78 114.38 118.00 3hfa h ARG 182 Ca 0.19 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.44 3hfa h ARG 182 Cb 0.05 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.49 3hfa h ARG 182 CO -0.11 0.30 0.13 0.82 -1.51 0.00 0.00 179.97 179.60 3hfa h ILE 183 N 0.04 0.64 0.10 1.20 2.04 -0.84 -0.68 117.51 120.00 3hfa h ILE 183 Ca 0.04 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hfa h ILE 183 Cb 0.18 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3hfa h ILE 183 CO -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 178.15 178.15 3hfa h ALA 184 N 1.49 -0.14 -0.96 1.87 0.00 -0.66 -0.72 119.26 120.14 3hfa h ALA 184 Ca 0.32 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 184 Cb 0.48 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3hfa h ALA 184 CO -0.41 -0.40 0.61 0.28 0.00 0.00 0.00 179.25 179.34 3hfa h VAL 185 N -0.49 1.07 0.09 0.00 2.07 -0.69 -0.58 116.25 117.72 3hfa h VAL 185 Ca -0.01 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hfa h VAL 185 Cb 0.40 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3hfa h VAL 185 CO 0.02 0.20 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 3hfa h ALA 186 N 1.44 -0.12 -0.93 1.67 0.00 -1.05 -2.11 119.26 118.16 3hfa h ALA 186 Ca 0.42 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.35 3hfa h ALA 186 Cb 0.17 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3hfa h ALA 186 CO -0.17 -0.45 0.59 0.00 0.00 0.00 0.00 179.25 179.23 3hfa h ALA 187 N 0.51 1.81 -0.53 0.00 0.00 -0.73 -0.03 119.26 120.29 3hfa h ALA 187 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hfa h ALA 187 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hfa h ALA 187 CO 0.02 -0.09 0.01 1.25 0.00 0.00 0.00 179.25 180.45 3hfa h LEU 188 N 0.71 0.86 -0.45 0.00 5.85 -0.83 -3.08 115.31 118.37 3hfa h LEU 188 Ca 0.48 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 59.05 3hfa h LEU 188 Cb 0.79 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3hfa h LEU 188 CO -0.24 0.92 0.15 0.03 -0.34 0.00 0.00 178.44 178.96 3hfa h ARG 189 N 0.83 0.31 -0.31 1.25 3.08 -0.31 -3.48 114.38 115.76 3hfa h ARG 189 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hfa h ARG 189 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3hfa h ARG 189 CO 0.02 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 3hfa n ALA 190 N -2.40 0.26 0.00 0.04 0.00 -1.16 -5.09 120.51 112.15 3hfa n ALA 190 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hfa n ALA 190 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.24 0.00 0.00 0.00 4.77 -1.26 -4.15 117.00 116.60 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 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3hfa n LEU 203 CO 0.00 0.00 0.17 0.61 -1.33 0.00 0.00 177.39 176.84 3hfa n GLY 204 N 0.00 1.63 0.42 -0.72 0.00 -1.26 -4.91 105.19 100.35 3hfa n GLY 204 Ca 0.00 -2.12 0.23 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.09 0.64 0.00 1.61 2.07 -1.95 -1.40 116.25 117.12 3hfa h VAL 205 Ca -0.11 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3hfa h VAL 205 Cb 0.50 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3hfa h VAL 205 CO 0.15 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.78 3hfa h ALA 206 N 1.61 1.00 0.00 1.67 0.00 -1.93 -3.19 119.26 118.42 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 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hfa h ALA 206 CO -0.08 0.00 -0.00 -1.13 0.00 0.00 0.00 179.25 178.04 3hfa n SER 207 N -2.45 1.90 -4.28 0.00 3.41 -0.56 -4.52 113.62 107.13 3hfa n SER 207 Ca 0.03 -1.95 -0.29 0.00 -0.26 0.00 0.00 58.87 56.40 3hfa n SER 207 Cb 0.34 -0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 3hfa n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 208 N -0.96 2.11 -0.19 1.04 1.43 -1.03 -0.58 118.68 120.50 3hfa s LEU 208 Ca 0.00 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3hfa s LEU 208 Cb 0.00 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3hfa s LEU 208 CO 0.00 0.25 -0.07 -0.70 0.23 0.00 0.00 176.35 176.06 3hfa s GLU 209 N -0.88 3.37 -0.01 1.70 2.12 -0.22 -4.78 118.70 120.00 3hfa s GLU 209 Ca 0.09 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.82 3hfa s GLU 209 Cb -0.09 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 3hfa s GLU 209 CO 0.01 -0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 174.60 3hfa s VAL 210 N 1.12 1.07 0.17 3.70 1.01 -1.26 -1.41 120.40 124.79 3hfa s VAL 210 Ca 0.01 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 3hfa s VAL 210 Cb -0.15 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.38 3hfa s VAL 210 CO -0.01 0.31 0.53 0.00 0.00 0.00 0.00 175.10 175.92 3hfa s ALA 211 N -0.27 -1.19 0.08 5.51 0.00 -0.96 -1.27 121.76 123.66 3hfa s ALA 211 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3hfa s ALA 211 Cb -0.06 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3hfa s ALA 211 CO -0.00 -0.76 -0.10 0.14 0.00 0.00 0.00 175.76 175.03 3hfa s VAL 212 N -3.81 0.85 -0.55 0.00 -7.23 -0.09 -0.57 120.40 108.99 3hfa s VAL 212 Ca 0.05 -1.44 -0.19 0.00 -1.81 0.00 0.00 61.98 58.59 3hfa s VAL 212 Cb -0.01 -1.12 0.08 0.00 0.56 0.00 0.00 36.38 35.89 3hfa s VAL 212 CO -0.08 -0.46 0.68 -0.76 -0.31 0.00 0.00 175.10 174.17 3hfa s LEU 213 N -2.11 5.10 -0.53 1.32 1.43 0.48 -1.31 118.68 123.06 3hfa s LEU 213 Ca 0.00 -1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 3hfa s LEU 213 Cb -0.06 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.82 3hfa s LEU 213 CO 0.00 -1.02 0.74 -0.62 0.23 0.00 0.00 176.35 175.68 3hfa s ASP 214 N 3.14 6.26 0.20 2.29 2.15 0.13 -1.98 116.67 128.86 3hfa s ASP 214 Ca 0.14 -0.75 0.18 0.00 0.43 0.00 0.00 52.55 52.55 3hfa s ASP 214 Cb -0.21 -2.34 0.84 0.00 -0.30 0.00 0.00 42.92 40.91 3hfa s ASP 214 CO 0.10 -1.02 1.54 0.00 -0.17 0.00 0.00 175.17 175.62 3hfa n ALA 215 N 6.63 1.33 0.84 3.66 0.00 -0.45 -1.64 120.51 130.87 3hfa n ALA 215 Ca -0.04 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3hfa n ALA 215 Cb 0.46 -1.28 0.44 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.02 0.40 -4.78 0.00 2.85 -1.26 -4.40 115.26 106.04 3hfa n ASN 216 Ca 0.01 0.34 -0.37 0.00 -0.11 0.00 0.00 54.58 54.45 3hfa n ASN 216 Cb 0.11 -0.36 -0.03 0.00 1.24 0.00 0.00 39.78 40.74 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 -3.05 4.09 0.05 1.20 1.81 -0.65 -4.99 118.95 117.42 3hfa s ARG 217 Ca 0.12 1.60 -0.25 0.00 -1.72 0.00 0.00 55.73 55.47 3hfa s ARG 217 Cb 0.16 -2.55 -0.17 0.00 -0.45 0.00 0.00 34.95 31.95 3hfa s ARG 217 CO 0.60 -0.22 1.56 -1.35 -0.68 0.00 0.00 175.30 175.21 3hfa h PRO 218 N 2.46 -0.10 0.00 3.54 0.11 -1.89 -3.39 132.00 132.73 3hfa h PRO 218 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfa h PRO 218 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hfa h PRO 218 CO 0.62 0.08 0.00 -2.13 -0.21 0.00 0.00 178.00 176.36 3hfa n ARG 219 N -5.06 0.00 -2.78 1.05 0.63 -1.26 -4.36 116.66 104.88 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 0.13 -0.15 -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 -1.40 3.37 0.43 -0.14 0.52 -1.26 -4.41 118.95 116.06 3hfa s ARG 220 Ca 0.00 -0.15 0.23 0.00 -0.52 0.00 0.00 55.73 55.29 3hfa s ARG 220 Cb 0.00 -4.04 0.43 0.00 0.52 0.00 0.00 34.95 31.86 3hfa s ARG 220 CO 0.00 -1.53 1.63 0.00 0.02 0.00 0.00 175.30 175.43 3hfa h ALA 221 N 9.36 0.95 -2.40 2.13 0.00 -1.14 -3.45 119.26 124.71 3hfa h ALA 221 Ca -0.26 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 3hfa h ALA 221 Cb 1.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3hfa h ALA 221 CO 1.11 0.10 0.59 0.12 0.00 0.00 0.00 179.25 181.17 3hfa s PHE 222 N -3.24 3.37 -0.13 0.00 5.36 -1.26 0.21 117.98 122.29 3hfa s PHE 222 Ca 0.06 1.32 -0.09 0.00 -0.96 0.00 0.00 56.93 57.26 3hfa s PHE 222 Cb 0.06 -3.38 0.04 0.00 -0.34 0.00 0.00 43.02 39.41 3hfa s PHE 222 CO 0.67 -1.11 0.32 -0.98 -1.46 0.00 0.00 175.22 172.66 3hfa s ARG 223 N 1.52 0.32 0.39 10.12 1.70 -0.42 -4.96 118.95 127.62 3hfa s ARG 223 Ca 0.57 0.58 -0.21 0.00 -0.47 0.00 0.00 55.73 56.19 3hfa s ARG 223 Cb -0.26 0.02 -0.10 0.00 -0.57 0.00 0.00 34.95 34.03 3hfa s ARG 223 CO 0.26 -0.12 0.91 1.03 -1.08 0.00 0.00 175.30 176.30 3hfa s ARG 224 N 0.90 4.25 -0.28 3.89 0.52 -1.26 -0.92 118.95 126.06 3hfa s ARG 224 Ca -0.06 1.08 0.01 0.00 -0.52 0.00 0.00 55.73 56.24 3hfa s ARG 224 Cb -0.07 -2.34 0.05 0.00 0.52 0.00 0.00 34.95 33.12 3hfa s ARG 224 CO -0.07 0.06 -0.06 0.42 0.02 0.00 0.00 175.30 175.67 3hfa s ILE 225 N -2.04 2.54 0.24 1.52 1.01 -0.40 -4.93 121.20 119.15 3hfa s ILE 225 Ca 0.58 -1.49 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3hfa s ILE 225 Cb -0.11 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 3hfa s ILE 225 CO 0.16 -0.04 0.04 0.42 0.00 0.00 0.00 174.94 175.51 3hfa s THR 226 N 1.18 0.82 0.00 2.92 -4.23 -1.26 -4.27 115.64 110.79 3hfa s THR 226 Ca -0.07 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3hfa s THR 226 Cb -0.20 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3hfa s THR 226 CO -0.03 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3hfa n GLY 227 N -0.43 3.05 0.21 3.99 0.00 -1.26 -2.11 105.19 108.64 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 0.19 0.25 -0.48 1.61 4.64 -1.98 0.44 113.55 118.22 3hfa h SER 228 Ca 0.00 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3hfa h SER 228 Cb 0.00 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3hfa h SER 228 CO 0.00 0.17 0.21 0.00 -0.87 0.00 0.00 176.83 176.34 3hfa h ALA 229 N 1.33 0.62 -0.01 5.18 0.00 -1.90 1.26 119.26 125.73 3hfa h ALA 229 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hfa h ALA 229 Cb 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 229 CO -0.23 0.21 0.00 1.25 0.00 0.00 0.00 179.25 180.49 3hfa h LEU 230 N 0.63 0.01 -1.23 0.00 5.85 -0.99 -2.50 115.31 117.08 3hfa h LEU 230 Ca 0.16 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.84 3hfa h LEU 230 Cb 0.16 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 3hfa h LEU 230 CO -0.02 0.18 0.58 -0.61 -0.34 0.00 0.00 178.44 178.23 3hfa h GLN 231 N -0.16 0.74 0.00 1.25 5.75 0.46 0.19 115.11 123.35 3hfa h GLN 231 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3hfa h GLN 231 Cb 0.17 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3hfa h GLN 231 CO -0.00 0.49 -0.10 0.00 -2.65 0.00 0.00 178.83 176.58 3hfa h ALA 232 N 1.58 1.10 -0.00 3.38 0.00 0.19 -2.70 119.26 122.82 3hfa h ALA 232 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hfa h ALA 232 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hfa h ALA 232 CO -0.21 0.12 -0.68 1.28 0.00 0.00 0.00 179.25 179.76 3hfa n LEU 233 N -3.34 0.72 -0.59 0.00 4.77 0.62 -5.07 117.00 114.11 3hfa n LEU 233 Ca -0.01 -0.20 0.14 0.00 -0.03 0.00 0.00 56.01 55.91 3hfa n LEU 233 Cb 0.29 -0.15 0.43 0.00 -2.33 0.00 0.00 43.42 41.66 3hfa n LEU 233 CO 0.29 0.18 0.82 0.18 -1.33 0.00 0.00 177.39 177.52