#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 h GLN 11 N 0.00 1.20 -0.63 3.49 -0.00 -2.05 -0.47 115.11 116.65 3hf9 h GLN 11 Ca 0.00 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.40 3hf9 h GLN 11 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.25 3hf9 h GLN 11 CO 0.00 0.96 0.24 0.00 0.00 0.00 0.00 178.83 180.03 3hf9 h ALA 12 N 1.18 0.82 -0.69 3.38 0.00 -2.05 -0.04 119.26 121.86 3hf9 h ALA 12 Ca 0.27 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 12 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hf9 h ALA 12 CO -0.02 0.45 0.15 1.98 0.00 0.00 0.00 179.25 181.80 3hf9 h MET 13 N 0.89 1.11 -0.78 0.00 1.85 -1.91 -0.89 114.93 115.20 3hf9 h MET 13 Ca 0.21 -0.27 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 3hf9 h MET 13 Cb 0.23 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.08 3hf9 h MET 13 CO -0.01 0.98 0.32 0.00 -0.40 0.00 0.00 176.91 177.80 3hf9 h ARG 14 N 1.05 1.16 -0.58 0.39 3.08 -0.63 -0.69 114.38 118.16 3hf9 h ARG 14 Ca 0.21 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hf9 h ARG 14 Cb 0.39 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3hf9 h ARG 14 CO 0.01 0.94 0.27 1.49 -1.07 0.00 0.00 179.97 181.60 3hf9 h GLU 15 N 1.13 0.85 -0.56 0.04 4.81 -0.43 0.26 114.58 120.67 3hf9 h GLU 15 Ca 0.26 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3hf9 h GLU 15 Cb 0.20 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3hf9 h GLU 15 CO -0.02 0.70 0.29 0.00 -0.73 0.00 0.00 179.01 179.25 3hf9 h ARG 16 N 0.80 0.80 -0.66 1.92 3.08 -0.67 -0.34 114.38 119.31 3hf9 h ARG 16 Ca 0.20 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hf9 h ARG 16 Cb 0.14 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3hf9 h ARG 16 CO -0.02 0.63 0.35 1.03 -1.07 0.00 0.00 179.97 180.88 3hf9 h SER 17 N 0.76 0.84 -0.66 7.04 0.87 -0.70 -0.94 113.55 120.76 3hf9 h SER 17 Ca 0.20 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3hf9 h SER 17 Cb 0.08 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 3hf9 h SER 17 CO -0.03 0.71 0.26 -0.33 -0.53 0.00 0.00 176.83 176.91 3hf9 h GLU 18 N 0.91 0.99 -0.43 2.24 4.39 -0.53 -0.28 114.58 121.87 3hf9 h GLU 18 Ca 0.23 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3hf9 h GLU 18 Cb 0.07 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3hf9 h GLU 18 CO -0.03 0.83 0.24 1.25 -1.16 0.00 0.00 179.01 180.14 3hf9 h LEU 19 N 0.93 0.53 -0.62 1.33 5.85 -0.60 0.13 115.31 122.85 3hf9 h LEU 19 Ca 0.22 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3hf9 h LEU 19 Cb 0.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3hf9 h LEU 19 CO -0.02 0.46 0.32 0.00 -0.34 0.00 0.00 178.44 178.86 3hf9 h ALA 20 N 1.09 0.80 -0.73 1.25 0.00 -0.77 -0.55 119.26 120.35 3hf9 h ALA 20 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3hf9 h ALA 20 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hf9 h ALA 20 CO -0.03 0.34 0.34 -0.09 0.00 0.00 0.00 179.25 179.81 3hf9 h ARG 21 N 0.85 1.07 -0.67 0.00 2.43 -0.66 -0.64 114.38 116.77 3hf9 h ARG 21 Ca 0.22 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3hf9 h ARG 21 Cb 0.08 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3hf9 h ARG 21 CO -0.03 0.85 0.18 0.87 -1.51 0.00 0.00 179.97 180.32 3hf9 h LYS 22 N 1.03 1.06 -0.82 0.20 1.57 -0.61 0.51 116.57 119.52 3hf9 h LYS 22 Ca 0.25 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3hf9 h LYS 22 Cb 0.14 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3hf9 h LYS 22 CO -0.03 0.94 0.36 0.78 -0.57 0.00 0.00 179.45 180.93 3hf9 h GLY 23 N 0.99 1.28 1.01 3.86 0.00 -0.65 -2.69 103.07 106.87 3hf9 h GLY 23 Ca 0.21 -0.66 -0.21 0.00 0.00 0.00 0.00 47.33 46.67 3hf9 h GLY 23 CO -0.00 0.63 -0.80 -2.22 0.00 0.00 0.00 176.54 174.15 3hf9 h ILE 24 N 1.18 1.34 0.00 2.60 2.04 -0.67 -3.15 117.51 120.85 3hf9 h ILE 24 Ca 0.28 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 64.02 3hf9 h ILE 24 Cb 0.16 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3hf9 h ILE 24 CO -0.03 0.64 0.00 0.00 0.00 0.00 0.00 178.15 178.76 3hf9 n ALA 25 N -2.61 1.50 0.85 1.87 0.00 0.18 -1.39 120.51 120.89 3hf9 n ALA 25 Ca -0.10 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.40 3hf9 n ALA 25 Cb 0.76 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 19.16 3hf9 n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hf9 n ARG 26 N -1.34 1.78 -3.11 0.00 1.74 -1.03 -4.06 116.66 110.63 3hf9 n ARG 26 Ca 0.03 -1.63 -0.18 0.00 -0.77 0.00 0.00 57.85 55.31 3hf9 n ARG 26 Cb 0.07 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.13 3hf9 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hf9 s ALA 27 N -1.74 4.43 0.58 7.54 0.00 -0.49 -4.92 121.76 127.16 3hf9 s ALA 27 Ca 0.23 -1.60 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 3hf9 s ALA 27 Cb 0.17 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3hf9 s ALA 27 CO 0.28 -0.23 1.25 0.15 0.00 0.00 0.00 175.76 177.20 3hf9 s LYS 28 N -4.32 3.03 0.39 0.00 -0.14 -1.26 -1.68 119.74 115.76 3hf9 s LYS 28 Ca 0.52 1.95 -0.12 0.00 -1.36 0.00 0.00 55.97 56.96 3hf9 s LYS 28 Cb -0.10 -2.04 -0.07 0.00 -1.68 0.00 0.00 37.83 33.94 3hf9 s LYS 28 CO 0.33 -1.19 0.78 -1.12 -0.76 0.00 0.00 175.35 173.38 3hf9 s SER 29 N -1.40 6.58 0.01 2.83 0.01 -1.26 -4.29 113.70 116.18 3hf9 s SER 29 Ca 0.76 1.19 0.01 0.00 1.31 0.00 0.00 55.95 59.22 3hf9 s SER 29 Cb -0.33 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 3hf9 s SER 29 CO 0.37 -0.37 -0.04 -0.69 0.41 0.00 0.00 173.24 172.92 3hf9 s VAL 30 N -2.31 0.28 -0.01 3.43 1.01 0.15 -2.45 120.40 120.51 3hf9 s VAL 30 Ca 0.52 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3hf9 s VAL 30 Cb -0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 3hf9 s VAL 30 CO 0.28 -0.18 -0.07 -0.69 0.00 0.00 0.00 175.10 174.44 3hf9 s VAL 31 N -0.73 0.61 -0.07 2.92 1.01 0.52 -1.35 120.40 123.32 3hf9 s VAL 31 Ca -0.06 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3hf9 s VAL 31 Cb -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3hf9 s VAL 31 CO -0.00 0.19 -0.10 0.00 0.00 0.00 0.00 175.10 175.19 3hf9 s ALA 32 N 0.05 1.17 0.01 5.51 0.00 -0.55 -0.85 121.76 127.11 3hf9 s ALA 32 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3hf9 s ALA 32 Cb -0.06 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3hf9 s ALA 32 CO -0.00 -0.03 -0.00 -0.48 0.00 0.00 0.00 175.76 175.24 3hf9 s LEU 33 N 0.96 2.11 0.13 0.00 2.34 -0.35 -0.08 118.68 123.80 3hf9 s LEU 33 Ca -0.09 -0.41 -0.30 0.00 0.06 0.00 0.00 54.13 53.39 3hf9 s LEU 33 Cb -0.15 0.18 -0.06 0.00 -0.56 0.00 0.00 46.19 45.60 3hf9 s LEU 33 CO 0.00 -0.28 0.98 0.00 -1.06 0.00 0.00 176.35 175.99 3hf9 s ALA 34 N -1.31 3.27 0.27 1.48 0.00 -0.24 -0.74 121.76 124.49 3hf9 s ALA 34 Ca -0.14 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.45 3hf9 s ALA 34 Cb -0.09 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 3hf9 s ALA 34 CO -0.01 -0.03 0.08 1.52 0.00 0.00 0.00 175.76 177.33 3hf9 s TYR 35 N -0.16 1.62 0.21 0.00 -0.85 0.10 -4.44 117.35 113.84 3hf9 s TYR 35 Ca 0.47 -1.12 -0.10 0.00 -0.52 0.00 0.00 57.07 55.80 3hf9 s TYR 35 Cb -0.24 -0.97 0.17 0.00 0.38 0.00 0.00 41.96 41.29 3hf9 s TYR 35 CO 0.31 -0.25 1.87 0.00 -1.52 0.00 0.00 175.55 175.96 3hf9 h ALA 36 N 2.34 0.95 -0.69 9.51 0.00 -1.66 -2.73 119.26 126.99 3hf9 h ALA 36 Ca -0.39 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3hf9 h ALA 36 Cb 1.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 36 CO 0.63 0.33 0.17 0.78 0.00 0.00 0.00 179.25 181.16 3hf9 h GLY 37 N 0.98 1.17 0.00 0.00 0.00 -1.91 -3.48 103.07 99.83 3hf9 h GLY 37 Ca 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3hf9 h GLY 37 CO -0.07 0.67 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3hf9 n GLY 38 N -0.72 -0.62 3.79 4.60 0.00 -1.03 -1.64 105.19 109.57 3hf9 n GLY 38 Ca 0.05 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3hf9 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hf9 s VAL 39 N -3.90 5.38 -0.14 1.61 1.01 -1.04 0.02 120.40 123.34 3hf9 s VAL 39 Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 3hf9 s VAL 39 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3hf9 s VAL 39 CO 0.00 0.50 -0.01 -0.22 0.00 0.00 0.00 175.10 175.37 3hf9 s LEU 40 N -0.24 3.44 -0.17 3.92 2.96 0.08 0.10 118.68 128.77 3hf9 s LEU 40 Ca 0.14 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3hf9 s LEU 40 Cb -0.12 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3hf9 s LEU 40 CO 0.03 0.24 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.86 3hf9 s PHE 41 N -0.04 2.91 -0.06 5.38 0.08 0.10 -1.21 117.98 125.14 3hf9 s PHE 41 Ca 0.03 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.36 3hf9 s PHE 41 Cb -0.13 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3hf9 s PHE 41 CO 0.02 -0.32 0.01 0.08 -0.10 0.00 0.00 175.22 174.91 3hf9 s VAL 42 N 0.80 0.26 0.01 -0.44 1.01 -0.03 -1.93 120.40 120.08 3hf9 s VAL 42 Ca -0.03 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3hf9 s VAL 42 Cb -0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 3hf9 s VAL 42 CO 0.01 0.22 -0.09 0.00 0.00 0.00 0.00 175.10 175.25 3hf9 s ALA 43 N 1.80 0.71 -0.08 5.51 0.00 -0.56 -0.36 121.76 128.80 3hf9 s ALA 43 Ca 0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3hf9 s ALA 43 Cb -0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3hf9 s ALA 43 CO -0.04 0.14 1.14 -1.83 0.00 0.00 0.00 175.76 175.18 3hf9 s GLU 44 N -0.51 4.37 -0.26 0.00 -1.05 -1.02 -1.09 118.70 119.12 3hf9 s GLU 44 Ca 0.01 1.59 -0.01 0.00 -0.15 0.00 0.00 54.97 56.41 3hf9 s GLU 44 Cb -0.05 -3.56 0.15 0.00 -0.44 0.00 0.00 34.13 30.23 3hf9 s GLU 44 CO 0.00 -0.42 0.42 1.21 0.95 0.00 0.00 175.26 177.42 3hf9 s ASN 45 N 1.38 -0.00 0.00 0.83 3.84 -0.10 -4.66 114.94 116.23 3hf9 s ASN 45 Ca 0.53 0.16 -0.25 0.00 0.21 0.00 0.00 52.86 53.52 3hf9 s ASN 45 Cb -0.23 1.29 -0.19 0.00 -0.55 0.00 0.00 41.25 41.57 3hf9 s ASN 45 CO 0.20 -0.31 1.36 -0.65 -2.79 0.00 0.00 177.10 174.91 3hf9 h PRO 46 N 8.15 -0.05 -6.64 0.43 0.11 -1.89 -3.31 132.00 128.79 3hf9 h PRO 46 Ca -0.17 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.36 3hf9 h PRO 46 Cb 1.15 0.01 0.13 0.00 0.11 0.00 0.00 31.00 32.40 3hf9 h PRO 46 CO 0.27 0.31 0.14 0.45 -0.21 0.00 0.00 178.00 178.96 3hf9 n SER 47 N -4.94 1.16 -0.33 -2.05 2.88 -1.26 -4.85 113.62 104.23 3hf9 n SER 47 Ca -0.08 1.02 0.09 0.00 -1.33 0.00 0.00 58.87 58.56 3hf9 n SER 47 Cb 0.21 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.30 3hf9 n SER 47 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3hf9 n ARG 48 N 0.12 1.53 0.00 -1.46 1.85 -1.26 -4.50 116.66 112.93 3hf9 n ARG 48 Ca 0.10 -0.71 0.00 0.00 -1.00 0.00 0.00 57.85 56.24 3hf9 n ARG 48 Cb 0.39 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 3hf9 n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3hf9 n SER 49 N -0.33 2.01 -4.44 2.89 3.41 -1.26 -5.01 113.62 110.90 3hf9 n SER 49 Ca 0.07 -0.26 -0.35 0.00 -0.26 0.00 0.00 58.87 58.06 3hf9 n SER 49 Cb 0.36 0.93 -0.13 0.00 -0.26 0.00 0.00 64.21 65.11 3hf9 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 50 N -2.27 3.30 -0.03 1.04 1.43 -1.26 -5.09 118.68 115.80 3hf9 s LEU 50 Ca 0.00 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3hf9 s LEU 50 Cb 0.00 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3hf9 s LEU 50 CO 0.00 0.02 -0.23 -1.10 0.23 0.00 0.00 176.35 175.28 3hf9 s GLN 51 N 1.25 2.26 0.00 1.70 -0.21 -1.26 -4.81 119.66 118.60 3hf9 s GLN 51 Ca 0.04 -0.86 0.12 0.00 0.02 0.00 0.00 55.36 54.67 3hf9 s GLN 51 Cb -0.15 -2.15 -0.11 0.00 1.00 0.00 0.00 33.01 31.61 3hf9 s GLN 51 CO 0.02 0.56 0.53 1.63 -2.12 0.00 0.00 175.29 175.91 3hf9 n LYS 52 N 2.46 2.95 -5.01 2.91 5.02 -1.26 -4.94 118.16 120.28 3hf9 n LYS 52 Ca -0.16 -0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 55.74 3hf9 n LYS 52 Cb 0.51 -1.07 -0.15 0.00 -0.02 0.00 0.00 35.03 34.30 3hf9 n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hf9 s ILE 53 N -2.02 1.72 0.20 -0.18 1.01 -1.26 -1.12 121.20 119.54 3hf9 s ILE 53 Ca 0.05 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3hf9 s ILE 53 Cb 0.09 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3hf9 s ILE 53 CO 0.46 0.45 0.50 -0.55 0.00 0.00 0.00 174.94 175.79 3hf9 s SER 54 N -0.61 -0.20 0.27 3.58 0.15 0.90 -4.99 113.70 112.79 3hf9 s SER 54 Ca 0.08 -0.58 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 3hf9 s SER 54 Cb -0.08 0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 64.71 3hf9 s SER 54 CO -0.00 -1.06 0.63 -0.70 1.20 0.00 0.00 173.24 173.31 3hf9 s GLU 55 N -3.90 3.90 0.07 5.44 2.12 -1.26 -1.13 118.70 123.94 3hf9 s GLU 55 Ca 0.12 0.46 -0.02 0.00 0.36 0.00 0.00 54.97 55.89 3hf9 s GLU 55 Cb -0.01 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 3hf9 s GLU 55 CO -0.01 0.25 -0.03 1.28 -0.54 0.00 0.00 175.26 176.21 3hf9 n LEU 56 N -0.19 1.13 -4.23 2.70 4.77 -0.69 -4.83 117.00 115.66 3hf9 n LEU 56 Ca 0.02 0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 55.96 3hf9 n LEU 56 Cb 0.53 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3hf9 n LEU 56 CO 0.43 -0.67 -0.04 -0.47 -1.33 0.00 0.00 177.39 175.31 3hf9 s TYR 57 N -2.08 1.60 0.04 -1.77 5.04 -0.87 -4.71 117.35 114.60 3hf9 s TYR 57 Ca -0.03 -1.58 -0.07 0.00 -2.44 0.00 0.00 57.07 52.95 3hf9 s TYR 57 Cb 0.00 -0.55 -0.02 0.00 0.35 0.00 0.00 41.96 41.75 3hf9 s TYR 57 CO 0.04 -0.95 0.93 -0.25 -1.34 0.00 0.00 175.55 173.97 3hf9 n ASP 58 N -1.56 -0.26 -1.03 4.32 8.00 -1.26 -2.55 116.55 122.21 3hf9 n ASP 58 Ca 0.06 0.99 0.10 0.00 0.71 0.00 0.00 54.79 56.65 3hf9 n ASP 58 Cb 0.62 -0.33 0.20 0.00 -0.02 0.00 0.00 41.12 41.59 3hf9 n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hf9 n ARG 59 N -3.46 2.40 -5.04 -1.24 5.12 -1.26 -2.21 116.66 110.96 3hf9 n ARG 59 Ca 0.00 -2.20 -0.29 0.00 -1.93 0.00 0.00 57.85 53.44 3hf9 n ARG 59 Cb 0.06 -1.45 -0.17 0.00 -1.16 0.00 0.00 32.46 29.75 3hf9 n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hf9 s VAL 60 N -1.28 1.76 0.53 1.55 0.11 -1.06 -1.76 120.40 120.26 3hf9 s VAL 60 Ca 0.35 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 3hf9 s VAL 60 Cb 0.20 -1.52 0.02 0.00 -1.53 0.00 0.00 36.38 33.55 3hf9 s VAL 60 CO 0.28 0.50 0.26 -0.83 -3.33 0.00 0.00 175.10 171.97 3hf9 s GLY 61 N 0.17 2.61 -0.15 6.54 0.00 -0.16 -1.70 107.32 114.62 3hf9 s GLY 61 Ca -0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.60 3hf9 s GLY 61 CO 0.05 -2.03 0.38 -0.12 0.00 0.00 0.00 173.10 171.37 3hf9 s PHE 62 N -2.81 -0.52 0.01 1.90 2.19 -0.29 -1.25 117.98 117.21 3hf9 s PHE 62 Ca 0.24 1.15 0.00 0.00 0.33 0.00 0.00 56.93 58.65 3hf9 s PHE 62 Cb -0.01 0.21 -0.01 0.00 -1.31 0.00 0.00 43.02 41.90 3hf9 s PHE 62 CO 0.15 -0.30 -0.01 0.00 1.83 0.00 0.00 175.22 176.88 3hf9 s ALA 63 N 1.17 0.07 0.07 11.12 0.00 -0.07 -0.07 121.76 134.06 3hf9 s ALA 63 Ca -0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 3hf9 s ALA 63 Cb -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3hf9 s ALA 63 CO -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 175.76 175.59 3hf9 s ALA 64 N -0.51 0.67 0.05 0.00 0.00 -0.28 0.95 121.76 122.63 3hf9 s ALA 64 Ca -0.05 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.65 3hf9 s ALA 64 Cb -0.04 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 3hf9 s ALA 64 CO -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 175.76 175.30 3hf9 s ALA 65 N -3.89 0.71 0.00 0.00 0.00 -0.26 -4.82 121.76 113.51 3hf9 s ALA 65 Ca 0.11 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3hf9 s ALA 65 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3hf9 s ALA 65 CO -0.07 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3hf9 n GLY 66 N 1.49 0.40 3.66 0.00 0.00 -1.26 -1.34 105.19 108.14 3hf9 n GLY 66 Ca -0.22 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3hf9 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hf9 s LYS 67 N -0.86 4.29 0.07 1.61 2.20 -0.92 -4.90 119.74 121.22 3hf9 s LYS 67 Ca 0.00 1.26 -0.36 0.00 -0.36 0.00 0.00 55.97 56.51 3hf9 s LYS 67 Cb 0.00 -3.61 -0.19 0.00 -1.51 0.00 0.00 37.83 32.52 3hf9 s LYS 67 CO 0.00 -0.51 1.55 0.35 -0.36 0.00 0.00 175.35 176.38 3hf9 h PHE 68 N 7.40 -1.29 -1.18 4.03 3.57 -1.96 -2.22 116.94 125.29 3hf9 h PHE 68 Ca -0.23 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.60 3hf9 h PHE 68 Cb 1.09 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 40.25 3hf9 h PHE 68 CO 0.74 -0.72 0.95 -2.95 -2.23 0.00 0.00 178.31 174.10 3hf9 h ASN 69 N -1.17 0.00 0.00 0.41 -1.07 -1.99 0.29 115.58 112.05 3hf9 h ASN 69 Ca -0.10 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.20 3hf9 h ASN 69 Cb 0.94 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.18 3hf9 h ASN 69 CO 0.10 0.00 -0.44 -0.33 0.07 0.00 0.00 177.43 176.82 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.86 -3.05 114.58 118.89 3hf9 h GLU 70 Ca 0.56 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.83 3hf9 h GLU 70 Cb 2.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.68 3hf9 h GLU 70 CO -0.01 0.69 -0.42 0.27 -1.00 0.00 0.00 179.01 178.54 3hf9 h PHE 71 N -1.00 0.00 0.14 4.33 -5.15 -0.72 -2.59 116.94 111.95 3hf9 h PHE 71 Ca -0.11 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.66 3hf9 h PHE 71 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.02 3hf9 h PHE 71 CO 0.11 0.42 -0.07 0.22 -2.00 0.00 0.00 178.31 177.00 3hf9 h ASP 72 N 0.00 -0.16 -1.00 -0.68 3.58 -0.62 -0.41 116.42 117.13 3hf9 h ASP 72 Ca -0.00 -0.22 0.32 0.00 0.42 0.00 0.00 57.03 57.54 3hf9 h ASP 72 Cb 0.86 0.04 -0.18 0.00 1.72 0.00 0.00 39.33 41.76 3hf9 h ASP 72 CO 0.06 0.14 0.17 -3.20 -2.88 0.00 0.00 179.24 173.52 3hf9 n ASN 73 N -5.05 0.01 -0.14 2.28 5.15 -1.15 -0.68 115.26 115.69 3hf9 n ASN 73 Ca -0.09 1.69 -0.11 0.00 -0.60 0.00 0.00 54.58 55.47 3hf9 n ASN 73 Cb 0.20 -0.67 -0.01 0.00 -0.53 0.00 0.00 39.78 38.76 3hf9 n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3hf9 h LEU 74 N 0.00 0.79 -0.74 1.20 3.38 -0.99 -2.08 115.31 116.88 3hf9 h LEU 74 Ca 0.67 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 58.40 3hf9 h LEU 74 Cb 1.53 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 3hf9 h LEU 74 CO -0.89 0.97 0.33 -0.09 0.09 0.00 0.00 178.44 178.85 3hf9 h ARG 75 N 0.61 0.51 -0.31 1.13 2.43 0.79 -0.14 114.38 119.40 3hf9 h ARG 75 Ca 0.10 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3hf9 h ARG 75 Cb 0.62 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3hf9 h ARG 75 CO 0.04 0.34 -0.07 0.00 -1.51 0.00 0.00 179.97 178.77 3hf9 h ARG 76 N 0.53 0.59 -0.14 0.20 3.08 -0.95 -1.86 114.38 115.84 3hf9 h ARG 76 Ca 0.38 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3hf9 h ARG 76 Cb 0.50 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3hf9 h ARG 76 CO -0.33 0.78 -0.16 0.78 -1.07 0.00 0.00 179.97 179.96 3hf9 h GLY 77 N 0.37 0.24 0.58 0.04 0.00 -0.85 -0.30 103.07 103.15 3hf9 h GLY 77 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hf9 h GLY 77 CO 0.03 0.14 -0.03 -1.33 0.00 0.00 0.00 176.54 175.35 3hf9 h GLY 78 N 0.79 -0.08 0.30 4.60 0.00 -0.58 0.15 103.07 108.24 3hf9 h GLY 78 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.48 3hf9 h GLY 78 CO 0.03 -0.03 -0.02 -2.22 0.00 0.00 0.00 176.54 174.30 3hf9 h ILE 79 N -0.50 0.67 -0.42 2.60 2.04 -1.05 0.19 117.51 121.04 3hf9 h ILE 79 Ca -0.01 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.91 3hf9 h ILE 79 Cb 0.44 0.57 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 3hf9 h ILE 79 CO 0.01 0.02 -0.17 1.56 0.00 0.00 0.00 178.15 179.57 3hf9 h GLN 80 N 0.09 -0.08 0.22 2.37 1.08 -0.90 0.62 115.11 118.51 3hf9 h GLN 80 Ca 0.21 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3hf9 h GLN 80 Cb 0.30 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3hf9 h GLN 80 CO -0.36 -0.05 -0.11 0.35 -0.95 0.00 0.00 178.83 177.71 3hf9 h PHE 81 N -0.08 -0.28 0.19 2.96 3.57 0.19 -2.67 116.94 120.81 3hf9 h PHE 81 Ca 0.20 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3hf9 h PHE 81 Cb 0.40 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 3hf9 h PHE 81 CO -0.42 -0.02 -0.45 0.00 -2.23 0.00 0.00 178.31 175.19 3hf9 h ALA 82 N 0.22 -0.85 -0.88 2.41 0.00 -0.39 -1.16 119.26 118.61 3hf9 h ALA 82 Ca -0.03 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.92 3hf9 h ALA 82 Cb 0.38 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3hf9 h ALA 82 CO 0.05 -1.04 0.57 -0.44 0.00 0.00 0.00 179.25 178.39 3hf9 h ASP 83 N -0.73 0.62 -0.02 0.00 3.32 -0.91 -0.67 116.42 118.04 3hf9 h ASP 83 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hf9 h ASP 83 Cb 0.72 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 3hf9 h ASP 83 CO -0.22 0.31 0.00 0.74 -1.72 0.00 0.00 179.24 178.36 3hf9 h THR 84 N 0.66 1.23 -0.43 0.35 2.02 -1.08 -2.66 112.91 112.99 3hf9 h THR 84 Ca 0.44 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.98 3hf9 h THR 84 Cb 0.74 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 3hf9 h THR 84 CO -0.20 0.18 0.19 0.03 0.37 0.00 0.00 175.52 176.09 3hf9 h ARG 85 N -0.24 0.37 -0.76 6.66 2.47 -0.20 -0.72 114.38 121.96 3hf9 h ARG 85 Ca 0.01 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.83 3hf9 h ARG 85 Cb 0.29 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.47 3hf9 h ARG 85 CO 0.00 0.25 0.50 0.78 0.56 0.00 0.00 179.97 182.06 3hf9 h GLY 86 N 0.38 0.85 1.38 0.04 0.00 -1.15 0.20 103.07 104.77 3hf9 h GLY 86 Ca 0.19 -0.23 -0.30 0.00 0.00 0.00 0.00 47.33 47.00 3hf9 h GLY 86 CO -0.16 0.10 -1.31 -1.82 0.00 0.00 0.00 176.54 173.34 3hf9 h TYR 87 N 0.53 0.84 0.00 5.60 3.20 -1.08 -3.33 116.97 122.73 3hf9 h TYR 87 Ca 0.37 -0.57 0.00 0.00 3.14 0.00 0.00 58.73 61.67 3hf9 h TYR 87 Cb 0.69 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3hf9 h TYR 87 CO -0.00 1.43 -0.09 0.00 -1.64 0.00 0.00 178.16 177.86 3hf9 n ALA 88 N -2.64 2.41 -2.00 1.82 0.00 -0.32 -4.82 120.51 114.95 3hf9 n ALA 88 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3hf9 n ALA 88 Cb 1.03 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3hf9 n ALA 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hf9 n TYR 89 N -2.07 0.00 -4.43 0.00 4.01 0.62 -5.07 117.16 110.22 3hf9 n TYR 89 Ca 0.06 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.58 3hf9 n TYR 89 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 3hf9 n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3hf9 s ASP 90 N 1.00 2.64 0.47 7.72 3.84 -1.25 -4.98 116.67 126.11 3hf9 s ASP 90 Ca 0.00 -1.24 0.32 0.00 -0.00 0.00 0.00 52.55 51.62 3hf9 s ASP 90 Cb 0.00 -0.14 1.41 0.00 -1.38 0.00 0.00 42.92 42.80 3hf9 s ASP 90 CO 0.00 -0.42 1.94 0.03 -0.00 0.00 0.00 175.17 176.72 3hf9 h ARG 91 N 2.24 0.00 -0.18 2.11 3.08 -1.91 -3.01 114.38 116.72 3hf9 h ARG 91 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3hf9 h ARG 91 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3hf9 h ARG 91 CO 0.68 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.12 3hf9 n ARG 92 N -2.78 1.89 0.13 0.04 1.74 -1.26 -3.53 116.66 112.89 3hf9 n ARG 92 Ca 0.00 -1.32 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 3hf9 n ARG 92 Cb 0.23 -1.43 0.12 0.00 -1.02 0.00 0.00 32.46 30.36 3hf9 n ARG 92 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3hf9 h ASP 93 N 2.75 0.00 -2.95 0.55 3.58 -1.90 -3.43 116.42 115.01 3hf9 h ASP 93 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 3hf9 h ASP 93 Cb 0.60 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 3hf9 h ASP 93 CO 0.00 0.61 0.88 -0.69 -2.88 0.00 0.00 179.24 177.17 3hf9 s VAL 94 N -3.26 4.36 0.07 2.25 1.01 -1.23 -4.94 120.40 118.66 3hf9 s VAL 94 Ca 0.01 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.65 3hf9 s VAL 94 Cb 0.10 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3hf9 s VAL 94 CO 0.75 -0.15 -0.07 0.42 0.00 0.00 0.00 175.10 176.04 3hf9 s THR 95 N 3.46 0.62 0.11 3.92 -4.23 -1.26 -4.95 115.64 113.31 3hf9 s THR 95 Ca 0.52 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.28 3hf9 s THR 95 Cb -0.20 -1.19 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 3hf9 s THR 95 CO 0.13 -0.65 1.74 1.23 -0.54 0.00 0.00 174.62 176.53 3hf9 h GLY 96 N 3.67 0.10 -0.70 3.99 0.00 -1.94 -2.07 103.07 106.12 3hf9 h GLY 96 Ca -0.35 -0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.10 3hf9 h GLY 96 CO 0.54 0.00 -0.37 -0.09 0.00 0.00 0.00 176.54 176.62 3hf9 h ARG 97 N 0.06 -0.08 0.59 4.80 1.12 -1.96 -1.36 114.38 117.54 3hf9 h ARG 97 Ca 0.04 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 3hf9 h ARG 97 Cb 0.04 0.02 0.01 0.00 -0.01 0.00 0.00 29.97 30.02 3hf9 h ARG 97 CO -0.06 -0.06 -0.28 0.37 -3.11 0.00 0.00 179.97 176.83 3hf9 h GLN 98 N -0.09 -0.76 -0.66 0.20 4.15 -1.79 -2.41 115.11 113.75 3hf9 h GLN 98 Ca 0.28 0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.86 3hf9 h GLN 98 Cb 0.57 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.36 3hf9 h GLN 98 CO -0.83 -0.48 0.26 -0.07 -1.93 0.00 0.00 178.83 175.78 3hf9 h LEU 99 N -0.86 0.28 -0.17 -2.39 3.38 -1.14 -1.73 115.31 112.68 3hf9 h LEU 99 Ca -0.08 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hf9 h LEU 99 Cb 0.63 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3hf9 h LEU 99 CO 0.13 0.15 0.02 0.00 0.09 0.00 0.00 178.44 178.83 3hf9 h ALA 100 N 1.45 0.16 -0.74 1.53 0.00 -1.20 -0.17 119.26 120.30 3hf9 h ALA 100 Ca 0.34 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.45 3hf9 h ALA 100 Cb 0.43 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.14 3hf9 h ALA 100 CO -0.32 -0.42 -0.05 -0.97 0.00 0.00 0.00 179.25 177.49 3hf9 h ASN 101 N 0.08 -0.44 -0.21 0.00 -0.73 -0.90 0.32 115.58 113.71 3hf9 h ASN 101 Ca 0.08 0.20 -0.01 0.00 1.87 0.00 0.00 56.30 58.44 3hf9 h ASN 101 Cb 0.08 0.37 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 3hf9 h ASN 101 CO -0.12 -0.20 0.08 0.58 -0.37 0.00 0.00 177.43 177.41 3hf9 h VAL 102 N 0.07 1.17 -0.86 2.57 2.07 -0.46 -1.69 116.25 119.11 3hf9 h VAL 102 Ca 0.39 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3hf9 h VAL 102 Cb 0.66 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3hf9 h VAL 102 CO -0.68 0.16 0.56 1.88 0.02 0.00 0.00 177.57 179.51 3hf9 h TYR 103 N 0.19 1.10 0.04 1.57 0.05 -0.11 -0.91 116.97 118.90 3hf9 h TYR 103 Ca 0.07 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3hf9 h TYR 103 Cb 0.18 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3hf9 h TYR 103 CO -0.01 0.71 -0.06 0.00 -1.05 0.00 0.00 178.16 177.75 3hf9 h ALA 104 N 1.44 -0.10 0.00 3.88 0.00 -0.05 -0.64 119.26 123.79 3hf9 h ALA 104 Ca 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3hf9 h ALA 104 Cb -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hf9 h ALA 104 CO -0.07 -0.57 -0.20 1.96 0.00 0.00 0.00 179.25 180.37 3hf9 h GLN 105 N -0.13 0.00 0.02 0.00 4.20 -0.69 0.14 115.11 118.66 3hf9 h GLN 105 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hf9 h GLN 105 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3hf9 h GLN 105 CO -0.03 0.20 -0.01 1.15 -0.67 0.00 0.00 178.83 179.47 3hf9 h THR 106 N 0.00 1.34 -0.63 -0.54 2.02 -0.80 -1.79 112.91 112.51 3hf9 h THR 106 Ca -0.00 -1.87 0.01 0.00 0.77 0.00 0.00 66.41 65.32 3hf9 h THR 106 Cb 0.44 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.28 3hf9 h THR 106 CO 0.03 0.43 0.42 -0.07 0.37 0.00 0.00 175.52 176.69 3hf9 h LEU 107 N -0.94 0.73 -0.34 2.58 3.38 -1.06 -0.82 115.31 118.83 3hf9 h LEU 107 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hf9 h LEU 107 Cb 0.73 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3hf9 h LEU 107 CO 0.00 0.53 0.20 1.23 0.09 0.00 0.00 178.44 180.49 3hf9 h GLY 108 N 0.86 0.50 0.92 0.83 0.00 -0.76 -0.35 103.07 105.08 3hf9 h GLY 108 Ca 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3hf9 h GLY 108 CO -0.05 0.21 -0.12 -0.84 0.00 0.00 0.00 176.54 175.74 3hf9 h THR 109 N 0.44 0.79 -0.51 4.70 2.02 -0.88 -2.67 112.91 116.81 3hf9 h THR 109 Ca 0.12 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.22 3hf9 h THR 109 Cb 0.02 0.89 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 3hf9 h THR 109 CO -0.02 0.04 0.12 0.40 0.37 0.00 0.00 175.52 176.42 3hf9 h ILE 110 N -0.41 0.73 0.00 3.11 2.04 -1.07 0.20 117.51 122.12 3hf9 h ILE 110 Ca -0.03 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3hf9 h ILE 110 Cb 0.31 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3hf9 h ILE 110 CO 0.05 0.05 -0.04 0.15 0.00 0.00 0.00 178.15 178.36 3hf9 h PHE 111 N 0.26 0.00 0.01 1.37 3.57 -0.97 -2.14 116.94 119.03 3hf9 h PHE 111 Ca 0.26 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.42 3hf9 h PHE 111 Cb 0.34 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3hf9 h PHE 111 CO -0.22 0.04 -1.84 2.41 -2.23 0.00 0.00 178.31 176.47 3hf9 n THR 112 N -3.55 1.55 0.37 4.41 -1.04 -0.27 -4.79 114.28 110.96 3hf9 n THR 112 Ca -0.02 -0.22 0.06 0.00 -2.04 0.00 0.00 64.05 61.83 3hf9 n THR 112 Cb 0.14 -1.94 -0.08 0.00 -1.82 0.00 0.00 70.33 66.64 3hf9 n THR 112 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hf9 n GLU 113 N -4.27 2.23 -2.49 -2.82 1.02 0.55 -4.99 120.64 109.86 3hf9 n GLU 113 Ca -0.41 -0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.45 3hf9 n GLU 113 Cb 0.79 -1.13 0.08 0.00 -0.02 0.00 0.00 31.44 31.17 3hf9 n GLU 113 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hf9 s GLN 114 N -2.34 1.96 0.07 3.49 -0.21 -0.81 -5.02 119.66 116.79 3hf9 s GLN 114 Ca 0.02 -0.82 -0.15 0.00 0.02 0.00 0.00 55.36 54.42 3hf9 s GLN 114 Cb 0.08 -2.32 -0.17 0.00 1.00 0.00 0.00 33.01 31.60 3hf9 s GLN 114 CO 0.49 -1.25 1.26 0.00 -2.12 0.00 0.00 175.29 173.67 3hf9 h ALA 115 N -0.43 0.25 -3.82 6.09 0.00 -1.94 -3.44 119.26 115.96 3hf9 h ALA 115 Ca -0.40 -0.56 -0.49 0.00 0.00 0.00 0.00 54.91 53.46 3hf9 h ALA 115 Cb 1.28 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.75 3hf9 h ALA 115 CO 0.47 0.55 -0.81 0.21 0.00 0.00 0.00 179.25 179.67 3hf9 s LYS 116 N -3.69 1.32 0.58 0.00 2.20 -1.26 -5.13 119.74 113.76 3hf9 s LYS 116 Ca -0.11 -0.43 -0.19 0.00 -0.36 0.00 0.00 55.97 54.87 3hf9 s LYS 116 Cb 0.07 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 3hf9 s LYS 116 CO 0.87 0.16 1.23 -1.25 -0.36 0.00 0.00 175.35 176.00 3hf9 s PRO 117 N 0.17 3.04 0.08 4.03 0.04 -1.26 -4.87 135.00 136.22 3hf9 s PRO 117 Ca -0.04 1.89 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 3hf9 s PRO 117 Cb -0.10 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3hf9 s PRO 117 CO 0.01 -1.17 1.21 0.71 0.04 0.00 0.00 177.00 177.81 3hf9 s TYR 118 N -1.53 3.42 -1.35 0.56 1.51 -1.26 -4.91 117.35 113.79 3hf9 s TYR 118 Ca 0.76 1.28 -0.11 0.00 -1.01 0.00 0.00 57.07 57.99 3hf9 s TYR 118 Cb -0.32 -3.44 0.12 0.00 -0.11 0.00 0.00 41.96 38.20 3hf9 s TYR 118 CO 0.36 -1.37 2.03 0.39 -1.11 0.00 0.00 175.55 175.85 3hf9 n GLU 119 N 3.82 3.39 -4.15 -0.62 1.02 -1.26 -4.68 120.64 118.16 3hf9 n GLU 119 Ca 0.09 -3.19 -0.10 0.00 -0.02 0.00 0.00 57.16 53.93 3hf9 n GLU 119 Cb 0.46 -3.04 -0.10 0.00 -0.02 0.00 0.00 31.44 28.75 3hf9 n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hf9 s VAL 120 N 1.31 0.06 -0.11 2.62 -7.23 -1.26 -2.18 120.40 113.61 3hf9 s VAL 120 Ca 0.43 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3hf9 s VAL 120 Cb 0.12 -2.19 0.06 0.00 0.56 0.00 0.00 36.38 34.93 3hf9 s VAL 120 CO -0.03 -0.29 0.22 -0.70 -0.31 0.00 0.00 175.10 173.99 3hf9 s GLU 121 N -4.08 0.11 0.12 4.82 2.12 -0.45 -3.19 118.70 118.15 3hf9 s GLU 121 Ca 0.29 0.66 0.04 0.00 0.36 0.00 0.00 54.97 56.32 3hf9 s GLU 121 Cb 0.07 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 3hf9 s GLU 121 CO 0.05 -0.28 0.12 -0.51 -0.54 0.00 0.00 175.26 174.10 3hf9 s LEU 122 N 2.27 3.84 -0.08 2.70 1.02 -0.30 -1.10 118.68 127.03 3hf9 s LEU 122 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.11 3hf9 s LEU 122 Cb -0.12 -2.48 0.02 0.00 0.02 0.00 0.00 46.19 43.63 3hf9 s LEU 122 CO -0.07 0.12 -0.06 0.00 0.02 0.00 0.00 176.35 176.35 3hf9 s VAL 124 N 1.40 3.72 -0.05 0.00 1.01 -0.57 -0.90 120.40 125.02 3hf9 s VAL 124 Ca -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3hf9 s VAL 124 Cb -0.13 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3hf9 s VAL 124 CO -0.04 0.40 -0.15 0.00 0.00 0.00 0.00 175.10 175.31 3hf9 s ALA 125 N 1.41 2.62 0.10 5.51 0.00 -0.38 -1.31 121.76 129.72 3hf9 s ALA 125 Ca 0.05 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.12 3hf9 s ALA 125 Cb -0.15 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3hf9 s ALA 125 CO -0.00 0.53 -0.24 -2.00 0.00 0.00 0.00 175.76 174.05 3hf9 s GLU 126 N -0.65 1.34 0.21 0.00 2.12 -0.41 -0.99 118.70 120.32 3hf9 s GLU 126 Ca 0.10 -1.23 0.07 0.00 0.36 0.00 0.00 54.97 54.27 3hf9 s GLU 126 Cb -0.11 -1.69 -0.05 0.00 0.26 0.00 0.00 34.13 32.54 3hf9 s GLU 126 CO 0.01 0.40 -0.11 0.54 -0.54 0.00 0.00 175.26 175.56 3hf9 s VAL 127 N -1.05 1.56 0.63 3.70 0.11 -0.72 -1.93 120.40 122.69 3hf9 s VAL 127 Ca 0.11 -2.16 -0.17 0.00 -2.93 0.00 0.00 61.98 56.83 3hf9 s VAL 127 Cb -0.10 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.64 3hf9 s VAL 127 CO 0.05 -0.56 1.17 0.00 -3.33 0.00 0.00 175.10 172.43 3hf9 s ALA 128 N -3.08 2.47 0.80 1.54 0.00 -1.26 -4.88 121.76 117.35 3hf9 s ALA 128 Ca 0.23 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 3hf9 s ALA 128 Cb 0.01 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3hf9 s ALA 128 CO 0.07 -1.26 1.10 -1.01 0.00 0.00 0.00 175.76 174.65 3hf9 s HIS 129 N -1.90 2.45 0.11 0.00 3.76 -1.26 -4.87 115.29 113.57 3hf9 s HIS 129 Ca 0.73 1.53 -0.25 0.00 -0.15 0.00 0.00 55.06 56.92 3hf9 s HIS 129 Cb -0.26 -3.09 -0.08 0.00 1.11 0.00 0.00 32.58 30.26 3hf9 s HIS 129 CO 0.36 -1.98 1.43 -0.92 -0.85 0.00 0.00 174.74 172.78 3hf9 h TYR 130 N -1.26 -1.37 0.36 1.40 3.20 -1.81 -2.74 116.97 114.75 3hf9 h TYR 130 Ca -0.44 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 3hf9 h TYR 130 Cb 1.24 0.65 -0.03 0.00 1.54 0.00 0.00 36.73 40.13 3hf9 h TYR 130 CO 0.55 -0.37 -0.40 0.78 -1.64 0.00 0.00 178.16 177.08 3hf9 h GLY 131 N -0.25 -0.93 -0.84 1.82 0.00 -1.91 -3.47 103.07 97.49 3hf9 h GLY 131 Ca 0.07 0.46 -0.40 0.00 0.00 0.00 0.00 47.33 47.47 3hf9 h GLY 131 CO -0.52 -0.31 0.27 -1.84 0.00 0.00 0.00 176.54 174.14 3hf9 n GLU 132 N -5.49 -2.09 -5.18 4.80 0.28 -1.04 -5.07 120.64 106.85 3hf9 n GLU 132 Ca -0.10 -1.83 -0.30 0.00 -0.16 0.00 0.00 57.16 54.76 3hf9 n GLU 132 Cb 0.39 -1.43 -0.16 0.00 1.43 0.00 0.00 31.44 31.67 3hf9 n GLU 132 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3hf9 s THR 133 N -3.37 1.93 -0.28 3.84 -4.23 -1.26 -4.73 115.64 107.53 3hf9 s THR 133 Ca 0.70 -1.00 -0.25 0.00 -1.18 0.00 0.00 61.69 59.96 3hf9 s THR 133 Cb -0.04 -1.64 0.12 0.00 1.34 0.00 0.00 72.50 72.27 3hf9 s THR 133 CO 0.51 0.54 0.99 -0.75 -0.54 0.00 0.00 174.62 175.37 3hf9 s LYS 134 N -0.11 0.55 -0.03 3.99 2.20 -1.26 -5.06 119.74 120.02 3hf9 s LYS 134 Ca -0.04 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.92 3hf9 s LYS 134 Cb -0.13 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 3hf9 s LYS 134 CO 0.04 -0.07 1.24 0.50 -0.36 0.00 0.00 175.35 176.70 3hf9 s ARG 135 N 0.25 4.35 0.29 4.03 3.52 -1.26 -4.44 118.95 125.69 3hf9 s ARG 135 Ca 0.03 1.74 -0.27 0.00 -0.13 0.00 0.00 55.73 57.10 3hf9 s ARG 135 Cb -0.05 -3.54 -0.14 0.00 -1.56 0.00 0.00 34.95 29.66 3hf9 s ARG 135 CO -0.05 -0.45 0.82 -2.30 -0.81 0.00 0.00 175.30 172.50 3hf9 n PRO 136 N 5.09 0.89 -4.60 5.12 -0.02 -1.26 -4.90 135.00 135.31 3hf9 n PRO 136 Ca 0.11 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3hf9 n PRO 136 Cb 0.46 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 32.24 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -1.43 2.83 0.02 -0.52 2.02 -0.81 -4.97 118.70 115.84 3hf9 s GLU 137 Ca 0.61 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 55.13 3hf9 s GLU 137 Cb -0.74 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 3hf9 s GLU 137 CO 0.59 0.64 -0.20 -0.51 0.02 0.00 0.00 175.26 175.79 3hf9 s LEU 138 N -0.73 2.13 -0.02 1.80 1.02 -1.24 -1.29 118.68 120.35 3hf9 s LEU 138 Ca 0.11 -0.46 0.03 0.00 0.02 0.00 0.00 54.13 53.82 3hf9 s LEU 138 Cb -0.11 -0.95 0.00 0.00 0.02 0.00 0.00 46.19 45.14 3hf9 s LEU 138 CO 0.02 0.17 -0.09 -0.31 0.02 0.00 0.00 176.35 176.16 3hf9 s TYR 139 N -0.70 0.93 -0.22 0.29 1.51 -0.43 -3.31 117.35 115.43 3hf9 s TYR 139 Ca 0.07 -0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3hf9 s TYR 139 Cb -0.08 -0.65 0.01 0.00 -0.11 0.00 0.00 41.96 41.13 3hf9 s TYR 139 CO 0.01 -0.08 -0.08 0.50 -1.11 0.00 0.00 175.55 174.79 3hf9 s ARG 140 N 0.07 3.18 -0.14 -0.62 3.52 -0.12 -1.51 118.95 123.34 3hf9 s ARG 140 Ca -0.01 -0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 3hf9 s ARG 140 Cb -0.07 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.38 3hf9 s ARG 140 CO 0.00 -0.24 -0.01 0.42 -0.81 0.00 0.00 175.30 174.66 3hf9 s ILE 141 N 1.41 4.19 0.42 4.11 1.09 -0.65 -0.94 121.20 130.83 3hf9 s ILE 141 Ca 0.05 -0.26 0.07 0.00 -1.10 0.00 0.00 60.65 59.41 3hf9 s ILE 141 Cb -0.14 -2.82 -0.03 0.00 -1.06 0.00 0.00 42.46 38.41 3hf9 s ILE 141 CO -0.06 0.53 0.30 0.42 -0.10 0.00 0.00 174.94 176.03 3hf9 s THR 142 N -0.07 2.46 0.65 2.92 -4.23 -0.82 -1.15 115.64 115.40 3hf9 s THR 142 Ca 0.03 -1.49 0.19 0.00 -1.18 0.00 0.00 61.69 59.25 3hf9 s THR 142 Cb -0.13 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 70.97 3hf9 s THR 142 CO 0.02 0.00 1.54 0.10 -0.54 0.00 0.00 174.62 175.74 3hf9 h TYR 143 N 1.16 0.00 -0.02 3.99 -0.00 -1.82 -0.90 116.97 119.39 3hf9 h TYR 143 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.31 3hf9 h TYR 143 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3hf9 h TYR 143 CO 0.59 0.00 -0.20 -0.40 -0.00 0.00 0.00 178.16 178.15 3hf9 n ASP 144 N -2.85 2.19 0.00 0.10 5.75 -1.26 -4.58 116.55 115.90 3hf9 n ASP 144 Ca 0.01 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 3hf9 n ASP 144 Cb 0.71 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 3hf9 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hf9 n GLY 145 N 1.17 0.26 3.73 6.12 0.00 -0.34 -4.03 105.19 112.11 3hf9 n GLY 145 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3hf9 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hf9 s SER 146 N -2.32 6.60 -0.15 1.61 0.01 -1.26 -4.70 113.70 113.49 3hf9 s SER 146 Ca 0.00 2.66 0.01 0.00 1.31 0.00 0.00 55.95 59.93 3hf9 s SER 146 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 3hf9 s SER 146 CO 0.00 -0.78 -0.16 -0.51 0.41 0.00 0.00 173.24 172.19 3hf9 s ILE 147 N 0.59 1.74 0.14 1.44 2.07 -1.26 -1.94 121.20 123.98 3hf9 s ILE 147 Ca 0.65 -0.74 0.06 0.00 -1.41 0.00 0.00 60.65 59.21 3hf9 s ILE 147 Cb -0.43 -1.60 -0.04 0.00 0.13 0.00 0.00 42.46 40.52 3hf9 s ILE 147 CO 0.37 0.49 0.00 0.00 -1.91 0.00 0.00 174.94 173.89 3hf9 s ALA 148 N 1.35 3.23 -0.40 1.50 0.00 -0.12 -4.98 121.76 122.35 3hf9 s ALA 148 Ca 0.03 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.74 3hf9 s ALA 148 Cb -0.13 -1.07 0.12 0.00 0.00 0.00 0.00 23.12 22.04 3hf9 s ALA 148 CO -0.10 0.56 0.19 0.16 0.00 0.00 0.00 175.76 176.57 3hf9 s ASP 149 N -2.71 3.84 0.65 0.00 -4.77 -1.26 -0.95 116.67 111.47 3hf9 s ASP 149 Ca 0.27 -2.35 -0.12 0.00 -3.30 0.00 0.00 52.55 47.04 3hf9 s ASP 149 Cb -0.10 -1.05 -0.02 0.00 -1.09 0.00 0.00 42.92 40.66 3hf9 s ASP 149 CO 0.18 -0.31 1.05 -1.61 0.70 0.00 0.00 175.17 175.18 3hf9 s GLU 150 N 0.69 3.22 -0.06 2.11 2.02 -1.21 -4.95 118.70 120.52 3hf9 s GLU 150 Ca 0.15 0.96 0.17 0.00 0.02 0.00 0.00 54.97 56.27 3hf9 s GLU 150 Cb -0.22 -2.03 -0.25 0.00 0.10 0.00 0.00 34.13 31.73 3hf9 s GLU 150 CO -0.06 -0.88 0.29 -0.35 0.02 0.00 0.00 175.26 174.28 3hf9 n PRO 151 N -2.73 0.76 -0.02 0.39 -0.05 -1.26 -3.60 135.00 128.50 3hf9 n PRO 151 Ca 0.07 -0.12 -0.06 0.00 -0.05 0.00 0.00 63.50 63.35 3hf9 n PRO 151 Cb 0.54 -1.41 -0.02 0.00 -0.05 0.00 0.00 33.50 32.55 3hf9 n PRO 151 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3hf9 n HIS 152 N -2.24 0.00 -4.00 0.54 8.25 -1.26 -4.82 115.22 111.69 3hf9 n HIS 152 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 3hf9 n HIS 152 Cb 0.61 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 3hf9 n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hf9 s PHE 153 N -2.18 0.50 -0.01 4.41 -0.12 -1.26 -1.07 117.98 118.24 3hf9 s PHE 153 Ca -0.10 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 55.94 3hf9 s PHE 153 Cb 0.03 -0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.33 3hf9 s PHE 153 CO 0.13 -0.74 -0.02 0.08 -0.05 0.00 0.00 175.22 174.62 3hf9 s VAL 154 N -4.00 0.19 -0.06 -2.49 1.01 0.89 -4.81 120.40 111.13 3hf9 s VAL 154 Ca 0.21 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3hf9 s VAL 154 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.21 3hf9 s VAL 154 CO 0.03 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.35 3hf9 s VAL 155 N 0.25 1.46 0.05 2.92 1.01 -1.26 -1.48 120.40 123.35 3hf9 s VAL 155 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3hf9 s VAL 155 Cb -0.05 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3hf9 s VAL 155 CO -0.01 0.42 -0.08 -0.04 0.00 0.00 0.00 175.10 175.39 3hf9 s MET 156 N 0.30 0.58 0.22 2.72 -1.94 -0.45 -4.99 119.30 115.74 3hf9 s MET 156 Ca -0.10 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 3hf9 s MET 156 Cb -0.14 -0.35 0.00 0.00 2.01 0.00 0.00 34.83 36.35 3hf9 s MET 156 CO 0.04 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.52 3hf9 n GLY 157 N 1.34 -2.87 7.00 -0.03 0.00 -1.26 -0.67 105.19 108.69 3hf9 n GLY 157 Ca -0.22 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3hf9 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 158 N -2.82 1.25 3.42 -0.02 0.00 -0.68 -4.22 105.19 102.12 3hf9 n GLY 158 Ca -0.03 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 3hf9 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 159 N 0.00 4.87 0.09 2.61 -4.23 -1.26 -4.52 115.64 113.21 3hf9 s THR 159 Ca 0.00 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 59.73 3hf9 s THR 159 Cb 0.00 -4.36 -0.24 0.00 1.34 0.00 0.00 72.50 69.25 3hf9 s THR 159 CO 0.00 -0.91 1.21 0.71 -0.54 0.00 0.00 174.62 175.09 3hf9 h THR 160 N 5.88 1.37 -0.31 3.99 1.35 -1.94 -3.37 112.91 119.88 3hf9 h THR 160 Ca -0.28 -2.53 0.06 0.00 -0.55 0.00 0.00 66.41 63.11 3hf9 h THR 160 Cb 1.09 2.58 -0.06 0.00 -1.73 0.00 0.00 68.15 70.03 3hf9 h THR 160 CO 1.01 0.76 -0.08 -0.33 -0.25 0.00 0.00 175.52 176.63 3hf9 h GLU 161 N 0.24 -0.00 -0.51 4.72 3.07 -1.96 0.13 114.58 120.26 3hf9 h GLU 161 Ca -0.13 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.87 3hf9 h GLU 161 Cb 1.75 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.64 3hf9 h GLU 161 CO 0.20 -0.00 0.36 -1.35 -1.40 0.00 0.00 179.01 176.81 3hf9 h PRO 162 N -0.00 0.09 0.13 2.33 0.11 -1.90 -0.11 132.00 132.64 3hf9 h PRO 162 Ca 0.15 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.91 3hf9 h PRO 162 Cb 0.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3hf9 h PRO 162 CO -0.32 0.06 -1.80 0.82 -0.21 0.00 0.00 178.00 176.55 3hf9 h ILE 163 N 0.09 0.77 -0.77 4.15 2.04 -1.47 -2.92 117.51 119.40 3hf9 h ILE 163 Ca 0.24 -2.37 -0.02 0.00 1.00 0.00 0.00 64.86 63.71 3hf9 h ILE 163 Cb 0.83 2.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.45 3hf9 h ILE 163 CO -0.02 0.82 0.42 0.00 0.00 0.00 0.00 178.15 179.37 3hf9 h ALA 164 N 0.02 0.99 -0.17 1.87 0.00 -0.35 -1.51 119.26 120.10 3hf9 h ALA 164 Ca -0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3hf9 h ALA 164 Cb 1.95 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3hf9 h ALA 164 CO 0.08 0.50 -0.01 -0.91 0.00 0.00 0.00 179.25 178.91 3hf9 h ASN 165 N 1.07 0.31 -0.90 0.00 2.35 -1.18 -0.49 115.58 116.73 3hf9 h ASN 165 Ca 0.27 -0.32 0.20 0.00 -0.55 0.00 0.00 56.30 55.90 3hf9 h ASN 165 Cb 0.04 -0.08 -0.12 0.00 0.05 0.00 0.00 38.32 38.21 3hf9 h ASN 165 CO -0.04 0.56 0.44 0.00 -1.65 0.00 0.00 177.43 176.74 3hf9 h ALA 166 N 0.76 1.45 -0.02 -0.83 0.00 -1.30 -2.37 119.26 116.95 3hf9 h ALA 166 Ca 0.05 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3hf9 h ALA 166 Cb 0.41 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hf9 h ALA 166 CO 0.01 -0.25 -0.29 -0.07 0.00 0.00 0.00 179.25 178.65 3hf9 h LEU 167 N 0.50 0.28 -0.99 0.00 3.38 -1.16 -2.48 115.31 114.84 3hf9 h LEU 167 Ca 0.55 -0.74 0.32 0.00 0.09 0.00 0.00 57.88 58.10 3hf9 h LEU 167 Cb 0.97 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.45 3hf9 h LEU 167 CO -0.47 0.98 0.21 0.11 0.09 0.00 0.00 178.44 179.36 3hf9 h LYS 168 N -0.39 0.02 0.13 1.13 1.57 -0.56 0.29 116.57 118.75 3hf9 h LYS 168 Ca -0.03 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 3hf9 h LYS 168 Cb 1.01 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3hf9 h LYS 168 CO 0.06 0.01 -1.88 1.05 -0.57 0.00 0.00 179.45 178.12 3hf9 h GLU 169 N 0.02 0.26 -0.35 3.15 4.11 -1.60 -3.36 114.58 116.81 3hf9 h GLU 169 Ca 0.68 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3hf9 h GLU 169 Cb 1.57 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.99 3hf9 h GLU 169 CO -0.86 1.15 0.00 -1.13 0.07 0.00 0.00 179.01 178.24 3hf9 n SER 170 N -3.46 1.99 -4.54 3.06 3.41 -0.60 -4.88 113.62 108.60 3hf9 n SER 170 Ca -0.27 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 55.95 3hf9 n SER 170 Cb 1.05 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 3hf9 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hf9 s TYR 171 N -1.53 3.13 -0.30 7.33 5.04 0.91 -4.94 117.35 126.99 3hf9 s TYR 171 Ca 0.26 0.08 -0.09 0.00 -2.44 0.00 0.00 57.07 54.88 3hf9 s TYR 171 Cb 0.14 -3.11 -0.01 0.00 0.35 0.00 0.00 41.96 39.33 3hf9 s TYR 171 CO 0.19 -0.68 0.14 0.00 -1.34 0.00 0.00 175.55 173.85 3hf9 s ALA 172 N 2.57 3.27 0.36 3.97 0.00 -1.26 -5.02 121.76 125.66 3hf9 s ALA 172 Ca 0.20 -1.32 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 3hf9 s ALA 172 Cb -0.15 -2.33 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 3hf9 s ALA 172 CO 0.16 -0.79 1.19 -1.83 0.00 0.00 0.00 175.76 174.48 3hf9 s GLU 173 N 1.62 4.23 -0.11 0.00 -1.05 -1.26 -3.01 118.70 119.12 3hf9 s GLU 173 Ca 0.05 1.91 0.00 0.00 -0.15 0.00 0.00 54.97 56.78 3hf9 s GLU 173 Cb -0.17 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 3hf9 s GLU 173 CO 0.06 -0.19 0.00 0.09 0.95 0.00 0.00 175.26 176.17 3hf9 n ASN 174 N 0.44 -3.21 -4.46 0.83 4.13 -1.26 -4.96 115.26 106.77 3hf9 n ASN 174 Ca 0.02 0.03 -0.33 0.00 1.68 0.00 0.00 54.58 55.98 3hf9 n ASN 174 Cb 0.45 -0.81 0.13 0.00 -1.54 0.00 0.00 39.78 38.01 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hf9 n ALA 175 N 1.02 -2.29 -1.40 5.41 0.00 -1.16 -4.13 120.51 117.95 3hf9 n ALA 175 Ca -0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 3hf9 n ALA 175 Cb 0.05 -1.86 0.17 0.00 0.00 0.00 0.00 19.45 17.81 3hf9 n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hf9 s SER 176 N -2.08 2.67 0.05 0.00 1.04 -1.26 -2.61 113.70 111.50 3hf9 s SER 176 Ca 0.59 0.85 -0.31 0.00 0.48 0.00 0.00 55.95 57.55 3hf9 s SER 176 Cb -0.22 -1.30 -0.18 0.00 0.10 0.00 0.00 66.02 64.42 3hf9 s SER 176 CO 0.66 -3.07 1.47 0.25 0.98 0.00 0.00 173.24 173.53 3hf9 h LEU 177 N -1.85 -0.77 -2.28 2.42 5.85 -1.99 -1.77 115.31 114.91 3hf9 h LEU 177 Ca -0.50 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.24 3hf9 h LEU 177 Cb 1.31 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 3hf9 h LEU 177 CO 0.52 -0.48 0.06 0.00 -0.34 0.00 0.00 178.44 178.20 3hf9 h THR 178 N -1.01 0.65 0.45 1.05 1.03 -1.93 -0.49 112.91 112.66 3hf9 h THR 178 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.29 3hf9 h THR 178 Cb 0.72 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 3hf9 h THR 178 CO 0.15 0.00 -0.22 0.44 -0.01 0.00 0.00 175.52 175.89 3hf9 h ASP 179 N 0.00 -0.51 -0.89 0.00 3.45 -1.89 -3.00 116.42 113.58 3hf9 h ASP 179 Ca 0.03 -0.02 0.16 0.00 0.43 0.00 0.00 57.03 57.63 3hf9 h ASP 179 Cb 0.14 0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 38.98 3hf9 h ASP 179 CO -0.00 -0.09 0.58 0.00 -1.57 0.00 0.00 179.24 178.16 3hf9 h ALA 180 N -1.06 1.94 -0.65 3.45 0.00 -0.85 -0.71 119.26 121.39 3hf9 h ALA 180 Ca -0.06 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 180 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hf9 h ALA 180 CO 0.10 -0.20 0.42 1.25 0.00 0.00 0.00 179.25 180.82 3hf9 h LEU 181 N 0.60 0.74 0.06 0.00 5.85 -1.16 -1.40 115.31 120.01 3hf9 h LEU 181 Ca 0.46 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 3hf9 h LEU 181 Cb 0.86 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3hf9 h LEU 181 CO -0.20 0.54 -0.03 0.03 -0.34 0.00 0.00 178.44 178.44 3hf9 h ARG 182 N 0.87 -0.08 -0.99 1.25 3.08 -1.01 -1.81 114.38 115.69 3hf9 h ARG 182 Ca 0.24 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.50 3hf9 h ARG 182 Cb -0.09 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 29.86 3hf9 h ARG 182 CO -0.05 0.19 0.58 0.82 -1.07 0.00 0.00 179.97 180.44 3hf9 h ILE 183 N -0.36 0.65 0.32 2.04 2.04 -1.22 0.19 117.51 121.17 3hf9 h ILE 183 Ca -0.01 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3hf9 h ILE 183 Cb 0.31 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3hf9 h ILE 183 CO 0.01 0.12 -0.15 0.00 0.00 0.00 0.00 178.15 178.14 3hf9 h ALA 184 N 1.67 -0.43 -0.68 1.87 0.00 -1.16 -0.90 119.26 119.63 3hf9 h ALA 184 Ca 0.59 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.43 3hf9 h ALA 184 Cb 0.98 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3hf9 h ALA 184 CO -0.42 -0.51 0.46 0.28 0.00 0.00 0.00 179.25 179.07 3hf9 h VAL 185 N -0.89 0.85 0.62 0.00 2.07 -0.87 0.49 116.25 118.51 3hf9 h VAL 185 Ca -0.04 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3hf9 h VAL 185 Cb 0.52 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3hf9 h VAL 185 CO 0.07 0.08 -0.30 0.00 0.02 0.00 0.00 177.57 177.44 3hf9 h ALA 186 N 1.67 -0.83 -0.17 1.67 0.00 -0.58 -2.68 119.26 118.34 3hf9 h ALA 186 Ca 0.33 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3hf9 h ALA 186 Cb 0.68 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hf9 h ALA 186 CO -0.10 -0.88 0.15 0.00 0.00 0.00 0.00 179.25 178.42 3hf9 h ALA 187 N -0.72 1.92 0.00 0.00 0.00 -0.28 0.62 119.26 120.80 3hf9 h ALA 187 Ca -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3hf9 h ALA 187 Cb 0.68 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3hf9 h ALA 187 CO 0.14 -0.24 -0.62 -0.07 0.00 0.00 0.00 179.25 178.46 3hf9 h LEU 188 N 0.00 0.00 -0.62 0.00 3.38 -0.82 -3.30 115.31 113.95 3hf9 h LEU 188 Ca 0.08 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3hf9 h LEU 188 Cb 0.39 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3hf9 h LEU 188 CO -0.00 0.62 0.16 0.03 0.09 0.00 0.00 178.44 179.33 3hf9 h ARG 189 N 0.00 0.29 0.00 1.13 3.08 -0.52 -3.49 114.38 114.87 3hf9 h ARG 189 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hf9 h ARG 189 Cb 1.10 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3hf9 h ARG 189 CO 0.08 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 179.17 3hf9 n ALA 190 N -2.57 0.30 0.00 0.04 0.00 -1.24 -5.13 120.51 111.91 3hf9 n ALA 190 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hf9 n ALA 190 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3hf9 n ALA 190 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hf9 n VAL 205 N -0.12 0.00 0.01 0.00 0.24 -1.26 -4.67 118.33 112.54 3hf9 n VAL 205 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 3hf9 n VAL 205 Cb 0.00 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.43 3hf9 n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hf9 n ALA 206 N -0.34 2.21 -0.95 2.33 0.00 -1.26 -4.41 120.51 118.09 3hf9 n ALA 206 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 53.44 52.59 3hf9 n ALA 206 Cb 0.00 -0.20 0.37 0.00 0.00 0.00 0.00 19.45 19.62 3hf9 n ALA 206 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hf9 n SER 207 N 0.09 5.34 -4.27 0.00 7.64 -1.26 -4.85 113.62 116.31 3hf9 n SER 207 Ca 0.05 -3.01 -0.28 0.00 1.01 0.00 0.00 58.87 56.64 3hf9 n SER 207 Cb 0.27 -0.68 -0.15 0.00 -1.01 0.00 0.00 64.21 62.64 3hf9 n SER 207 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hf9 s LEU 208 N -2.83 2.10 -0.22 -3.43 1.43 -1.25 -0.92 118.68 113.56 3hf9 s LEU 208 Ca 0.53 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3hf9 s LEU 208 Cb 0.41 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.51 3hf9 s LEU 208 CO 0.14 0.24 -0.06 -0.70 0.23 0.00 0.00 176.35 176.20 3hf9 s GLU 209 N -0.85 3.21 0.05 1.70 2.12 -0.25 -4.82 118.70 119.85 3hf9 s GLU 209 Ca 0.09 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 54.75 3hf9 s GLU 209 Cb -0.09 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 3hf9 s GLU 209 CO 0.00 -0.25 -0.17 0.08 -0.54 0.00 0.00 175.26 174.38 3hf9 s VAL 210 N 1.43 1.37 -0.17 3.70 1.01 -1.26 -1.49 120.40 124.99 3hf9 s VAL 210 Ca 0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 3hf9 s VAL 210 Cb -0.15 -1.23 0.13 0.00 0.00 0.00 0.00 36.38 35.13 3hf9 s VAL 210 CO -0.05 0.02 1.03 0.00 0.00 0.00 0.00 175.10 176.11 3hf9 s ALA 211 N -0.94 -1.95 0.23 5.51 0.00 -0.81 -1.70 121.76 122.11 3hf9 s ALA 211 Ca 0.04 1.60 0.08 0.00 0.00 0.00 0.00 51.96 53.68 3hf9 s ALA 211 Cb -0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 3hf9 s ALA 211 CO 0.02 -0.31 -0.13 0.14 0.00 0.00 0.00 175.76 175.48 3hf9 s VAL 212 N -1.15 1.81 -0.85 0.00 -7.23 -0.02 -0.73 120.40 112.23 3hf9 s VAL 212 Ca -0.01 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 57.92 3hf9 s VAL 212 Cb -0.00 -2.18 0.21 0.00 0.56 0.00 0.00 36.38 34.96 3hf9 s VAL 212 CO 0.01 -0.50 0.73 -0.22 -0.31 0.00 0.00 175.10 174.81 3hf9 s LEU 213 N -3.37 5.62 -0.03 1.32 2.96 0.11 -1.52 118.68 123.77 3hf9 s LEU 213 Ca 0.25 -3.47 -0.30 0.00 -0.22 0.00 0.00 54.13 50.40 3hf9 s LEU 213 Cb -0.00 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3hf9 s LEU 213 CO 0.09 -0.25 1.40 -0.62 -1.32 0.00 0.00 176.35 175.65 3hf9 s ASP 214 N 0.28 6.85 0.00 3.68 -1.08 -0.81 -2.51 116.67 123.09 3hf9 s ASP 214 Ca 0.25 2.06 0.29 0.00 -0.52 0.00 0.00 52.55 54.63 3hf9 s ASP 214 Cb -0.10 -2.56 1.40 0.00 -1.46 0.00 0.00 42.92 40.20 3hf9 s ASP 214 CO -0.10 -0.74 1.94 0.00 0.52 0.00 0.00 175.17 176.79 3hf9 n ALA 215 N 5.68 2.62 1.04 3.66 0.00 -0.65 -3.63 120.51 129.23 3hf9 n ALA 215 Ca 0.13 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.37 3hf9 n ALA 215 Cb 0.44 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.65 3hf9 n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hf9 n ASN 216 N -0.38 2.21 -4.78 0.00 5.15 -1.26 -4.60 115.26 111.60 3hf9 n ASN 216 Ca 0.21 -1.61 -0.37 0.00 -0.60 0.00 0.00 54.58 52.21 3hf9 n ASN 216 Cb 0.23 0.29 -0.06 0.00 -0.53 0.00 0.00 39.78 39.71 3hf9 n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hf9 s ARG 217 N -2.32 4.57 0.11 1.20 1.81 -1.24 -5.01 118.95 118.08 3hf9 s ARG 217 Ca 0.22 1.31 -0.18 0.00 -1.72 0.00 0.00 55.73 55.37 3hf9 s ARG 217 Cb 0.19 -2.80 -0.05 0.00 -0.45 0.00 0.00 34.95 31.84 3hf9 s ARG 217 CO 0.48 0.28 1.63 -1.35 -0.68 0.00 0.00 175.30 175.67 3hf9 h PRO 218 N 3.18 0.47 0.00 3.54 0.11 -1.92 -3.42 132.00 133.96 3hf9 h PRO 218 Ca -0.47 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3hf9 h PRO 218 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hf9 h PRO 218 CO 0.65 0.51 -0.08 -2.13 -0.21 0.00 0.00 178.00 176.74 3hf9 n ARG 219 N -4.70 0.00 -2.95 1.05 0.63 -1.26 -4.43 116.66 105.00 3hf9 n ARG 219 Ca -0.02 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.47 3hf9 n ARG 219 Cb 0.16 -0.27 -0.04 0.00 0.45 0.00 0.00 32.46 32.76 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hf9 s ARG 220 N -2.00 3.19 0.25 -0.14 0.52 -1.26 -4.39 118.95 115.12 3hf9 s ARG 220 Ca 0.00 -1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 54.02 3hf9 s ARG 220 Cb 0.00 -4.37 0.31 0.00 0.52 0.00 0.00 34.95 31.40 3hf9 s ARG 220 CO 0.00 -1.72 1.69 0.00 0.02 0.00 0.00 175.30 175.29 3hf9 h ALA 221 N 9.29 1.01 -2.80 2.13 0.00 -1.67 -3.45 119.26 123.77 3hf9 h ALA 221 Ca -0.20 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 53.84 3hf9 h ALA 221 Cb 1.07 -0.15 0.08 0.00 0.00 0.00 0.00 17.79 18.79 3hf9 h ALA 221 CO 1.14 0.59 0.87 0.12 0.00 0.00 0.00 179.25 181.97 3hf9 s PHE 222 N -4.63 2.78 -0.19 0.00 5.36 -1.26 -1.92 117.98 118.12 3hf9 s PHE 222 Ca -0.08 0.82 -0.07 0.00 -0.96 0.00 0.00 56.93 56.64 3hf9 s PHE 222 Cb 0.14 -4.04 0.09 0.00 -0.34 0.00 0.00 43.02 38.86 3hf9 s PHE 222 CO 0.81 -3.48 0.41 0.50 -1.46 0.00 0.00 175.22 172.00 3hf9 s ARG 223 N -0.52 0.31 0.37 10.12 3.52 -0.57 -4.94 118.95 127.23 3hf9 s ARG 223 Ca 0.63 1.02 -0.24 0.00 -0.13 0.00 0.00 55.73 57.00 3hf9 s ARG 223 Cb -0.47 0.31 -0.10 0.00 -1.56 0.00 0.00 34.95 33.13 3hf9 s ARG 223 CO 0.48 -0.25 0.96 1.03 -0.81 0.00 0.00 175.30 176.71 3hf9 s ARG 224 N 2.58 4.42 -0.23 5.12 0.52 -1.26 -0.84 118.95 129.25 3hf9 s ARG 224 Ca -0.02 1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 56.45 3hf9 s ARG 224 Cb -0.12 -2.58 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 3hf9 s ARG 224 CO -0.12 0.12 -0.03 0.42 0.02 0.00 0.00 175.30 175.71 3hf9 s ILE 225 N -1.78 3.35 0.04 1.52 1.01 -0.69 -4.92 121.20 119.73 3hf9 s ILE 225 Ca 0.55 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 3hf9 s ILE 225 Cb -0.16 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3hf9 s ILE 225 CO 0.21 0.35 0.00 -0.89 0.00 0.00 0.00 174.94 174.62 3hf9 s THR 226 N 1.46 0.16 0.00 2.92 2.01 -1.26 -4.29 115.64 116.64 3hf9 s THR 226 Ca 0.05 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 60.71 3hf9 s THR 226 Cb -0.15 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.41 3hf9 s THR 226 CO -0.03 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 173.77 3hf9 n GLY 227 N 0.75 3.76 0.27 4.40 0.00 -1.26 -3.18 105.19 109.95 3hf9 n GLY 227 Ca -0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 228 N 0.00 0.82 -0.68 1.61 4.64 -1.98 -1.89 113.55 116.07 3hf9 h SER 228 Ca 0.00 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.31 3hf9 h SER 228 Cb 0.00 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 3hf9 h SER 228 CO 0.00 0.64 0.38 0.00 -0.87 0.00 0.00 176.83 176.98 3hf9 h ALA 229 N 1.21 0.91 -0.77 5.18 0.00 -1.96 0.23 119.26 124.07 3hf9 h ALA 229 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hf9 h ALA 229 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hf9 h ALA 229 CO -0.05 0.06 0.33 1.25 0.00 0.00 0.00 179.25 180.85 3hf9 h LEU 230 N 0.70 1.04 -0.80 0.00 6.46 -1.55 -0.74 115.31 120.42 3hf9 h LEU 230 Ca 0.30 -0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 3hf9 h LEU 230 Cb 0.18 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.81 3hf9 h LEU 230 CO -0.18 0.91 0.37 -0.61 -0.62 0.00 0.00 178.44 178.31 3hf9 h GLN 231 N 1.10 1.16 -0.70 1.25 4.15 -0.43 0.90 115.11 122.54 3hf9 h GLN 231 Ca 0.26 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3hf9 h GLN 231 Cb 0.18 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3hf9 h GLN 231 CO -0.03 0.91 0.28 0.00 -1.93 0.00 0.00 178.83 178.07 3hf9 h ALA 232 N 1.19 0.91 -0.68 3.38 0.00 -0.09 -2.42 119.26 121.56 3hf9 h ALA 232 Ca 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hf9 h ALA 232 Cb 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3hf9 h ALA 232 CO -0.03 0.53 0.22 -0.07 0.00 0.00 0.00 179.25 179.90 3hf9 h LEU 233 N 1.00 0.98 0.00 0.00 4.07 -0.31 -3.51 115.31 117.54 3hf9 h LEU 233 Ca 0.23 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3hf9 h LEU 233 Cb 0.21 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.69 3hf9 h LEU 233 CO -0.02 0.93 0.00 0.18 -1.08 0.00 0.00 178.44 178.45