#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 0.89 -0.62 3.49 1.08 -2.05 -0.67 115.11 117.22 3hf9 h GLN 11 Ca 0.00 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 3hf9 h GLN 11 Cb 0.00 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 3hf9 h GLN 11 CO 0.00 0.76 0.30 0.00 -0.95 0.00 0.00 178.83 178.94 3hf9 h ALA 12 N 1.35 0.81 -0.67 3.87 0.00 -2.05 -0.30 119.26 122.26 3hf9 h ALA 12 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 12 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hf9 h ALA 12 CO -0.01 0.37 0.25 1.98 0.00 0.00 0.00 179.25 181.83 3hf9 h MET 13 N 0.86 1.02 -0.76 0.00 1.85 -1.83 -0.50 114.93 115.56 3hf9 h MET 13 Ca 0.21 -0.20 -0.03 0.00 -0.61 0.00 0.00 59.70 59.08 3hf9 h MET 13 Cb 0.11 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.95 3hf9 h MET 13 CO -0.03 0.87 0.36 0.00 -0.40 0.00 0.00 176.91 177.71 3hf9 h ARG 14 N 0.97 1.10 -0.66 0.39 3.08 -0.64 -0.37 114.38 118.24 3hf9 h ARG 14 Ca 0.22 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3hf9 h ARG 14 Cb 0.24 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3hf9 h ARG 14 CO -0.01 0.86 0.26 1.49 -1.07 0.00 0.00 179.97 181.50 3hf9 h GLU 15 N 1.08 0.99 -0.77 0.04 4.81 -0.57 -0.42 114.58 119.74 3hf9 h GLU 15 Ca 0.26 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3hf9 h GLU 15 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3hf9 h GLU 15 CO -0.03 0.83 0.26 0.00 -0.73 0.00 0.00 179.01 179.34 3hf9 h ARG 16 N 0.94 1.18 -0.71 1.92 3.08 -0.65 -1.63 114.38 118.51 3hf9 h ARG 16 Ca 0.22 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3hf9 h ARG 16 Cb 0.21 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3hf9 h ARG 16 CO -0.02 0.99 0.29 1.03 -1.07 0.00 0.00 179.97 181.19 3hf9 h SER 17 N 1.14 0.97 0.18 7.04 0.87 -0.57 -2.78 113.55 120.40 3hf9 h SER 17 Ca 0.25 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3hf9 h SER 17 Cb 0.29 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3hf9 h SER 17 CO -0.01 0.86 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.73 3hf9 h GLU 18 N 1.03 -0.24 -0.70 2.24 4.39 -0.61 -0.57 114.58 120.12 3hf9 h GLU 18 Ca 0.24 0.02 0.15 0.00 0.34 0.00 0.00 59.36 60.10 3hf9 h GLU 18 Cb 0.19 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 28.77 3hf9 h GLU 18 CO -0.02 0.16 -0.11 1.25 -1.16 0.00 0.00 179.01 179.13 3hf9 h LEU 19 N -0.74 -0.52 0.89 1.33 5.85 -1.29 0.11 115.31 120.94 3hf9 h LEU 19 Ca -0.03 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3hf9 h LEU 19 Cb 0.51 0.39 0.01 0.00 0.37 0.00 0.00 40.66 41.93 3hf9 h LEU 19 CO 0.04 -0.20 -0.43 0.00 -0.34 0.00 0.00 178.44 177.51 3hf9 h ALA 20 N 1.68 -1.20 -0.45 1.25 0.00 -1.51 -2.55 119.26 116.48 3hf9 h ALA 20 Ca 0.35 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3hf9 h ALA 20 Cb 0.57 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3hf9 h ALA 20 CO -0.68 -1.15 0.33 -0.09 0.00 0.00 0.00 179.25 177.66 3hf9 h ARG 21 N -1.24 0.01 0.08 0.00 2.43 -0.21 -1.60 114.38 113.84 3hf9 h ARG 21 Ca -0.12 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3hf9 h ARG 21 Cb 0.92 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3hf9 h ARG 21 CO 0.20 0.00 -0.04 0.87 -1.51 0.00 0.00 179.97 179.50 3hf9 h LYS 22 N 0.01 -0.10 -0.87 0.20 1.57 -0.79 -2.44 116.57 114.14 3hf9 h LYS 22 Ca 0.21 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.15 3hf9 h LYS 22 Cb 0.86 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 3hf9 h LYS 22 CO -0.00 0.46 0.56 0.78 -0.57 0.00 0.00 179.45 180.68 3hf9 h GLY 23 N -0.81 1.12 1.73 3.86 0.00 -0.98 -0.28 103.07 107.70 3hf9 h GLY 23 Ca -0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 3hf9 h GLY 23 CO 0.02 0.08 -0.69 -2.22 0.00 0.00 0.00 176.54 173.74 3hf9 h ILE 24 N 0.64 1.41 0.00 2.60 2.04 -1.35 -2.94 117.51 119.90 3hf9 h ILE 24 Ca 0.44 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 64.15 3hf9 h ILE 24 Cb 0.75 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3hf9 h ILE 24 CO -0.19 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.59 3hf9 n ALA 25 N -2.48 1.91 0.99 1.87 0.00 -0.16 -1.61 120.51 121.03 3hf9 n ALA 25 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.44 3hf9 n ALA 25 Cb 0.68 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.37 0.75 -2.74 0.00 1.74 -0.96 -3.98 116.66 110.09 3hf9 n ARG 26 Ca 0.07 -0.59 -0.20 0.00 -0.77 0.00 0.00 57.85 56.36 3hf9 n ARG 26 Cb 0.17 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.68 4.08 0.45 7.54 0.00 -1.07 -4.90 121.76 125.17 3hf9 s ALA 27 Ca 0.14 -1.52 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 3hf9 s ALA 27 Cb 0.17 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 3hf9 s ALA 27 CO 0.69 -0.74 1.20 0.15 0.00 0.00 0.00 175.76 177.06 3hf9 s LYS 28 N -4.71 3.80 0.46 0.00 -0.14 -1.26 -2.14 119.74 115.75 3hf9 s LYS 28 Ca 0.58 1.88 -0.17 0.00 -1.36 0.00 0.00 55.97 56.90 3hf9 s LYS 28 Cb -0.09 -2.50 -0.09 0.00 -1.68 0.00 0.00 37.83 33.47 3hf9 s LYS 28 CO 0.38 -0.55 0.94 -1.12 -0.76 0.00 0.00 175.35 174.24 3hf9 s SER 29 N -1.18 6.73 0.01 2.83 0.01 -1.26 -4.40 113.70 116.43 3hf9 s SER 29 Ca 0.62 1.55 -0.01 0.00 1.31 0.00 0.00 55.95 59.42 3hf9 s SER 29 Cb -0.31 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 3hf9 s SER 29 CO 0.39 -0.47 -0.00 -0.69 0.41 0.00 0.00 173.24 172.88 3hf9 s VAL 30 N -2.41 0.06 -0.01 3.43 1.01 -0.03 -2.68 120.40 119.77 3hf9 s VAL 30 Ca 0.59 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3hf9 s VAL 30 Cb -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.11 3hf9 s VAL 30 CO 0.24 -0.29 -0.04 -0.69 0.00 0.00 0.00 175.10 174.32 3hf9 s VAL 31 N -0.87 0.39 -0.09 2.92 1.01 0.44 -1.32 120.40 122.89 3hf9 s VAL 31 Ca -0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3hf9 s VAL 31 Cb -0.06 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3hf9 s VAL 31 CO -0.00 0.13 -0.06 0.00 0.00 0.00 0.00 175.10 175.16 3hf9 s ALA 32 N 0.11 1.11 -0.00 5.51 0.00 -0.53 -0.69 121.76 127.27 3hf9 s ALA 32 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3hf9 s ALA 32 Cb -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3hf9 s ALA 32 CO -0.00 -0.33 -0.01 -0.48 0.00 0.00 0.00 175.76 174.94 3hf9 s LEU 33 N 1.58 1.93 0.32 0.00 2.34 -0.28 -0.37 118.68 124.20 3hf9 s LEU 33 Ca 0.01 -0.02 -0.28 0.00 0.06 0.00 0.00 54.13 53.90 3hf9 s LEU 33 Cb -0.13 -0.08 -0.09 0.00 -0.56 0.00 0.00 46.19 45.33 3hf9 s LEU 33 CO -0.05 0.01 1.15 0.00 -1.06 0.00 0.00 176.35 176.40 3hf9 s ALA 34 N 0.05 3.36 0.30 1.48 0.00 -0.65 -0.52 121.76 125.78 3hf9 s ALA 34 Ca -0.00 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.96 3hf9 s ALA 34 Cb -0.02 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3hf9 s ALA 34 CO -0.00 -0.33 0.14 1.52 0.00 0.00 0.00 175.76 177.09 3hf9 s TYR 35 N -1.24 1.61 0.22 0.00 -0.85 0.35 -4.52 117.35 112.92 3hf9 s TYR 35 Ca 0.49 -1.31 -0.09 0.00 -0.52 0.00 0.00 57.07 55.64 3hf9 s TYR 35 Cb -0.33 -0.90 0.23 0.00 0.38 0.00 0.00 41.96 41.35 3hf9 s TYR 35 CO 0.42 -0.45 1.86 0.00 -1.52 0.00 0.00 175.55 175.86 3hf9 h ALA 36 N 2.22 1.02 -0.61 9.51 0.00 -1.69 -2.40 119.26 127.32 3hf9 h ALA 36 Ca -0.35 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3hf9 h ALA 36 Cb 1.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3hf9 h ALA 36 CO 0.55 0.28 0.12 0.78 0.00 0.00 0.00 179.25 180.98 3hf9 h GLY 37 N 0.95 1.07 0.00 0.00 0.00 -1.94 -3.49 103.07 99.66 3hf9 h GLY 37 Ca 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hf9 h GLY 37 CO -0.12 0.65 0.00 0.61 0.00 0.00 0.00 176.54 177.68 3hf9 n GLY 38 N -0.58 -0.97 3.78 4.60 0.00 -0.90 -2.22 105.19 108.90 3hf9 n GLY 38 Ca 0.03 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.00 3.32 -0.05 1.61 1.01 -1.19 -0.49 120.40 121.61 3hf9 s VAL 39 Ca 0.00 0.86 0.04 0.00 0.00 0.00 0.00 61.98 62.88 3hf9 s VAL 39 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 3hf9 s VAL 39 CO 0.00 -0.14 -0.18 -0.22 0.00 0.00 0.00 175.10 174.56 3hf9 s LEU 40 N -3.55 1.91 -0.15 3.92 2.96 0.32 -0.64 118.68 123.46 3hf9 s LEU 40 Ca 0.69 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 3hf9 s LEU 40 Cb -0.23 -1.01 -0.00 0.00 0.50 0.00 0.00 46.19 45.45 3hf9 s LEU 40 CO 0.27 0.15 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.93 3hf9 s PHE 41 N 0.11 2.77 -0.06 5.38 0.08 0.16 -1.12 117.98 125.30 3hf9 s PHE 41 Ca -0.06 -0.97 -0.00 0.00 0.12 0.00 0.00 56.93 56.02 3hf9 s PHE 41 Cb -0.12 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3hf9 s PHE 41 CO 0.03 -0.43 -0.03 0.08 -0.10 0.00 0.00 175.22 174.77 3hf9 s VAL 42 N 0.71 0.54 0.02 -0.44 1.01 0.13 -1.83 120.40 120.54 3hf9 s VAL 42 Ca -0.07 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3hf9 s VAL 42 Cb -0.16 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3hf9 s VAL 42 CO 0.02 0.26 -0.10 0.00 0.00 0.00 0.00 175.10 175.28 3hf9 s ALA 43 N 1.43 0.79 -0.34 5.51 0.00 -0.69 -0.42 121.76 128.05 3hf9 s ALA 43 Ca -0.03 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.06 3hf9 s ALA 43 Cb -0.13 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.89 3hf9 s ALA 43 CO -0.03 0.13 1.00 -1.83 0.00 0.00 0.00 175.76 175.03 3hf9 s GLU 44 N -0.85 3.97 -0.26 0.00 -1.05 -1.09 -1.27 118.70 118.16 3hf9 s GLU 44 Ca -0.01 0.84 -0.02 0.00 -0.15 0.00 0.00 54.97 55.63 3hf9 s GLU 44 Cb -0.06 -3.76 0.12 0.00 -0.44 0.00 0.00 34.13 29.98 3hf9 s GLU 44 CO 0.00 -0.90 0.25 1.21 0.95 0.00 0.00 175.26 176.77 3hf9 s ASN 45 N 1.75 1.76 0.10 0.83 2.47 0.09 -4.71 114.94 117.23 3hf9 s ASN 45 Ca 0.42 -0.60 -0.16 0.00 0.42 0.00 0.00 52.86 52.93 3hf9 s ASN 45 Cb -0.12 0.37 -0.07 0.00 -1.45 0.00 0.00 41.25 39.99 3hf9 s ASN 45 CO 0.17 -0.37 1.49 1.55 -3.72 0.00 0.00 177.10 176.22 3hf9 h PRO 46 N 8.30 0.59 -6.70 0.43 0.13 -1.85 -3.31 132.00 129.58 3hf9 h PRO 46 Ca -0.16 -0.23 -0.52 0.00 -0.87 0.00 0.00 66.00 64.22 3hf9 h PRO 46 Cb 1.10 -0.03 0.07 0.00 0.13 0.00 0.00 31.00 32.26 3hf9 h PRO 46 CO 0.33 0.79 0.98 0.45 -0.23 0.00 0.00 178.00 180.32 3hf9 s SER 47 N -6.21 6.36 0.14 1.44 0.15 -1.26 -4.89 113.70 109.44 3hf9 s SER 47 Ca -0.13 2.91 0.19 0.00 0.70 0.00 0.00 55.95 59.62 3hf9 s SER 47 Cb 0.08 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 3hf9 s SER 47 CO 0.78 -0.97 0.97 0.03 1.20 0.00 0.00 173.24 175.26 3hf9 h ARG 48 N 6.20 0.00 0.08 5.44 3.08 -1.96 -3.38 114.38 123.84 3hf9 h ARG 48 Ca -0.44 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.25 3hf9 h ARG 48 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 3hf9 h ARG 48 CO 0.91 0.17 -2.05 -1.13 -1.07 0.00 0.00 179.97 176.80 3hf9 n SER 49 N -2.82 2.05 -4.80 7.04 3.41 -1.26 -4.92 113.62 112.33 3hf9 n SER 49 Ca -0.05 0.16 -0.34 0.00 -0.26 0.00 0.00 58.87 58.39 3hf9 n SER 49 Cb 0.70 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 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 -7.05 3.74 -0.05 1.04 1.43 -1.26 -5.05 118.68 111.48 3hf9 s LEU 50 Ca -0.27 1.93 -0.03 0.00 -1.03 0.00 0.00 54.13 54.73 3hf9 s LEU 50 Cb 0.07 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.76 3hf9 s LEU 50 CO 0.70 -0.93 0.11 -1.10 0.23 0.00 0.00 176.35 175.35 3hf9 s GLN 51 N -3.46 0.09 -0.00 1.70 -0.21 -1.26 -4.85 119.66 111.67 3hf9 s GLN 51 Ca 0.67 0.22 0.19 0.00 0.02 0.00 0.00 55.36 56.46 3hf9 s GLN 51 Cb -0.17 -0.05 -0.21 0.00 1.00 0.00 0.00 33.01 33.58 3hf9 s GLN 51 CO 0.25 -0.08 0.79 1.63 -2.12 0.00 0.00 175.29 175.77 3hf9 n LYS 52 N 3.53 0.68 -4.55 2.91 5.02 -1.26 -4.94 118.16 119.55 3hf9 n LYS 52 Ca -0.18 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.86 3hf9 n LYS 52 Cb 0.56 -1.41 -0.14 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.83 1.45 0.14 -0.18 1.01 -1.26 -1.61 121.20 117.92 3hf9 s ILE 53 Ca 0.07 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 3hf9 s ILE 53 Cb 0.14 -1.27 0.07 0.00 0.01 0.00 0.00 42.46 41.41 3hf9 s ILE 53 CO 0.79 0.15 0.62 -0.55 0.00 0.00 0.00 174.94 175.95 3hf9 s SER 54 N -1.10 -0.56 0.49 3.58 0.15 0.48 -4.99 113.70 111.73 3hf9 s SER 54 Ca 0.05 0.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.55 3hf9 s SER 54 Cb -0.08 0.58 -0.09 0.00 -1.71 0.00 0.00 66.02 64.73 3hf9 s SER 54 CO 0.01 -0.93 1.02 -0.70 1.20 0.00 0.00 173.24 173.84 3hf9 s GLU 55 N -3.57 3.86 0.00 5.44 2.12 -1.26 -0.74 118.70 124.56 3hf9 s GLU 55 Ca 0.01 1.26 0.00 0.00 0.36 0.00 0.00 54.97 56.59 3hf9 s GLU 55 Cb -0.01 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.27 3hf9 s GLU 55 CO -0.11 -0.36 0.00 1.28 -0.54 0.00 0.00 175.26 175.52 3hf9 n LEU 56 N -1.04 2.26 -3.88 2.70 4.77 -0.72 -4.78 117.00 116.31 3hf9 n LEU 56 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3hf9 n LEU 56 Cb 0.53 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3hf9 n LEU 56 CO 0.40 0.37 0.43 -0.47 -1.33 0.00 0.00 177.39 176.79 3hf9 s TYR 57 N -1.92 0.37 0.18 -1.77 5.04 -0.75 -4.69 117.35 113.80 3hf9 s TYR 57 Ca 0.00 -0.92 -0.13 0.00 -2.44 0.00 0.00 57.07 53.58 3hf9 s TYR 57 Cb 0.00 0.59 0.12 0.00 0.35 0.00 0.00 41.96 43.03 3hf9 s TYR 57 CO 0.00 -1.45 1.81 -0.44 -1.34 0.00 0.00 175.55 174.13 3hf9 h ASP 58 N 2.03 0.50 -0.12 4.32 3.32 -1.95 -2.81 116.42 121.71 3hf9 h ASP 58 Ca -0.31 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3hf9 h ASP 58 Cb 1.25 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3hf9 h ASP 58 CO 0.40 0.35 0.00 0.54 -1.72 0.00 0.00 179.24 178.81 3hf9 n ARG 59 N -4.80 2.05 -4.72 3.56 5.12 -1.26 0.27 116.66 116.88 3hf9 n ARG 59 Ca 0.04 -1.87 -0.25 0.00 -1.93 0.00 0.00 57.85 53.85 3hf9 n ARG 59 Cb 0.09 -1.42 -0.16 0.00 -1.16 0.00 0.00 32.46 29.81 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 -1.65 1.27 0.54 1.55 0.11 -1.06 -1.42 120.40 119.74 3hf9 s VAL 60 Ca 0.27 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 3hf9 s VAL 60 Cb 0.18 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3hf9 s VAL 60 CO 0.27 0.37 0.22 0.61 -3.33 0.00 0.00 175.10 173.25 3hf9 n GLY 61 N 3.28 3.11 3.16 6.54 0.00 -0.22 -1.75 105.19 119.31 3hf9 n GLY 61 Ca -0.19 -2.34 -0.12 0.00 0.00 0.00 0.00 46.02 43.37 3hf9 n GLY 61 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hf9 s PHE 62 N -2.80 -0.35 -0.02 1.61 2.19 0.09 -1.73 117.98 116.96 3hf9 s PHE 62 Ca 0.17 0.83 -0.04 0.00 0.33 0.00 0.00 56.93 58.22 3hf9 s PHE 62 Cb -0.01 0.11 0.00 0.00 -1.31 0.00 0.00 43.02 41.81 3hf9 s PHE 62 CO 0.11 -0.19 0.10 0.00 1.83 0.00 0.00 175.22 177.07 3hf9 s ALA 63 N 0.52 -0.24 0.08 11.12 0.00 -0.24 -0.39 121.76 132.61 3hf9 s ALA 63 Ca -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 3hf9 s ALA 63 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3hf9 s ALA 63 CO -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 175.76 175.65 3hf9 s ALA 64 N -0.54 0.51 0.07 0.00 0.00 -0.63 0.76 121.76 121.93 3hf9 s ALA 64 Ca -0.06 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.72 3hf9 s ALA 64 Cb -0.04 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 3hf9 s ALA 64 CO 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 175.76 175.25 3hf9 s ALA 65 N -3.95 0.85 0.00 0.00 0.00 -0.24 -4.84 121.76 113.58 3hf9 s ALA 65 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3hf9 s ALA 65 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3hf9 s ALA 65 CO -0.07 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3hf9 n GLY 66 N 0.97 0.45 3.67 0.00 0.00 -1.26 -1.53 105.19 107.49 3hf9 n GLY 66 Ca -0.19 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.80 4.33 0.06 1.61 2.20 -0.88 -4.90 119.74 121.36 3hf9 s LYS 67 Ca 0.00 1.26 -0.31 0.00 -0.36 0.00 0.00 55.97 56.55 3hf9 s LYS 67 Cb 0.00 -3.58 -0.16 0.00 -1.51 0.00 0.00 37.83 32.57 3hf9 s LYS 67 CO 0.00 -0.41 1.48 0.35 -0.36 0.00 0.00 175.35 176.40 3hf9 h PHE 68 N 7.29 -1.12 -1.51 4.03 3.57 -1.96 -1.74 116.94 125.49 3hf9 h PHE 68 Ca -0.27 -0.01 0.44 0.00 3.53 0.00 0.00 57.97 61.66 3hf9 h PHE 68 Cb 1.12 0.40 -0.06 0.00 2.79 0.00 0.00 35.95 40.20 3hf9 h PHE 68 CO 0.73 -0.62 1.09 -2.95 -2.23 0.00 0.00 178.31 174.32 3hf9 h ASN 69 N -1.02 0.00 0.00 0.41 -1.07 -1.99 0.41 115.58 112.33 3hf9 h ASN 69 Ca -0.09 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.18 3hf9 h ASN 69 Cb 0.82 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.06 3hf9 h ASN 69 CO 0.08 -0.00 -0.59 -0.33 0.07 0.00 0.00 177.43 176.66 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.87 -2.92 114.58 119.01 3hf9 h GLU 70 Ca 0.72 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.99 3hf9 h GLU 70 Cb 2.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.12 3hf9 h GLU 70 CO -0.01 0.80 -0.40 0.27 -1.00 0.00 0.00 179.01 178.66 3hf9 h PHE 71 N -1.00 0.00 0.25 4.33 -5.15 -0.28 -2.58 116.94 112.51 3hf9 h PHE 71 Ca -0.15 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.61 3hf9 h PHE 71 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.15 3hf9 h PHE 71 CO 0.12 0.40 -0.12 0.22 -2.00 0.00 0.00 178.31 176.94 3hf9 h ASP 72 N 0.00 -0.28 -0.96 -0.68 3.58 -0.38 -0.82 116.42 116.88 3hf9 h ASP 72 Ca -0.00 -0.15 0.30 0.00 0.42 0.00 0.00 57.03 57.59 3hf9 h ASP 72 Cb 0.78 0.07 -0.18 0.00 1.72 0.00 0.00 39.33 41.73 3hf9 h ASP 72 CO 0.05 -0.00 0.15 -3.20 -2.88 0.00 0.00 179.24 173.36 3hf9 n ASN 73 N -5.13 0.01 -0.05 2.28 5.15 -1.10 -0.19 115.26 116.22 3hf9 n ASN 73 Ca -0.09 1.62 -0.12 0.00 -0.60 0.00 0.00 54.58 55.39 3hf9 n ASN 73 Cb 0.22 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 38.85 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 0.82 -0.93 1.20 3.38 -1.03 -2.14 115.31 116.61 3hf9 h LEU 74 Ca 0.64 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 58.27 3hf9 h LEU 74 Cb 1.45 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 3hf9 h LEU 74 CO -0.86 1.16 0.59 -0.09 0.09 0.00 0.00 178.44 179.33 3hf9 h ARG 75 N 0.59 1.04 -0.08 1.13 2.43 0.88 -0.49 114.38 119.88 3hf9 h ARG 75 Ca 0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3hf9 h ARG 75 Cb 1.06 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3hf9 h ARG 75 CO 0.10 0.69 -0.04 0.00 -1.51 0.00 0.00 179.97 179.21 3hf9 h ARG 76 N 1.07 0.16 -0.60 0.20 3.08 -0.92 -2.09 114.38 115.28 3hf9 h ARG 76 Ca 0.40 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.48 3hf9 h ARG 76 Cb 0.18 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3hf9 h ARG 76 CO -0.18 0.53 0.40 0.78 -1.07 0.00 0.00 179.97 180.44 3hf9 h GLY 77 N -0.22 0.58 0.66 0.04 0.00 -1.20 0.13 103.07 103.07 3hf9 h GLY 77 Ca 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3hf9 h GLY 77 CO 0.01 0.10 -0.01 -1.33 0.00 0.00 0.00 176.54 175.31 3hf9 h GLY 78 N 0.41 -0.04 0.68 4.60 0.00 -0.91 0.26 103.07 108.08 3hf9 h GLY 78 Ca 0.28 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.65 3hf9 h GLY 78 CO -0.08 -0.01 -0.01 -2.22 0.00 0.00 0.00 176.54 174.22 3hf9 h ILE 79 N -0.38 0.85 -0.38 2.60 2.04 -0.88 0.79 117.51 122.15 3hf9 h ILE 79 Ca -0.00 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3hf9 h ILE 79 Cb 0.35 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 3hf9 h ILE 79 CO 0.01 0.01 -0.28 1.56 0.00 0.00 0.00 178.15 179.45 3hf9 h GLN 80 N 0.05 -0.21 0.08 2.37 1.08 -0.63 -0.36 115.11 117.48 3hf9 h GLN 80 Ca 0.09 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3hf9 h GLN 80 Cb 0.12 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3hf9 h GLN 80 CO -0.17 -0.14 -0.04 0.35 -0.95 0.00 0.00 178.83 177.88 3hf9 h PHE 81 N -0.22 -0.10 -0.03 2.96 3.57 -0.48 -2.67 116.94 119.97 3hf9 h PHE 81 Ca 0.18 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3hf9 h PHE 81 Cb 0.50 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3hf9 h PHE 81 CO -0.49 0.03 -0.06 0.00 -2.23 0.00 0.00 178.31 175.56 3hf9 h ALA 82 N 0.71 -0.03 -0.65 2.41 0.00 -0.19 -1.19 119.26 120.32 3hf9 h ALA 82 Ca -0.01 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 82 Cb 0.17 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3hf9 h ALA 82 CO 0.02 -0.54 0.36 -0.44 0.00 0.00 0.00 179.25 178.65 3hf9 h ASP 83 N -0.08 0.53 0.01 0.00 3.32 -1.10 -1.15 116.42 117.95 3hf9 h ASP 83 Ca 0.04 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3hf9 h ASP 83 Cb 0.13 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3hf9 h ASP 83 CO -0.08 0.35 -0.21 0.74 -1.72 0.00 0.00 179.24 178.32 3hf9 h THR 84 N 0.67 0.51 -0.69 0.35 2.02 -1.05 -1.78 112.91 112.94 3hf9 h THR 84 Ca 0.29 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.53 3hf9 h THR 84 Cb 0.17 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 3hf9 h THR 84 CO -0.18 0.00 0.39 0.03 0.37 0.00 0.00 175.52 176.13 3hf9 h ARG 85 N -0.33 0.68 -0.75 6.66 2.47 -0.53 -0.87 114.38 121.70 3hf9 h ARG 85 Ca 0.06 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3hf9 h ARG 85 Cb 0.41 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 3hf9 h ARG 85 CO -0.19 0.45 0.42 0.78 0.56 0.00 0.00 179.97 182.00 3hf9 h GLY 86 N 0.70 1.11 1.19 0.04 0.00 -1.03 0.17 103.07 105.25 3hf9 h GLY 86 Ca 0.31 -0.48 -0.21 0.00 0.00 0.00 0.00 47.33 46.95 3hf9 h GLY 86 CO -0.19 0.46 -0.71 -1.82 0.00 0.00 0.00 176.54 174.28 3hf9 h TYR 87 N 1.05 1.08 -0.00 5.60 3.20 -0.83 -3.30 116.97 123.76 3hf9 h TYR 87 Ca 0.27 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3hf9 h TYR 87 Cb 0.01 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3hf9 h TYR 87 CO 0.01 1.28 -0.22 0.00 -1.64 0.00 0.00 178.16 177.59 3hf9 n ALA 88 N -2.59 2.87 -2.00 1.82 0.00 -0.38 -4.82 120.51 115.40 3hf9 n ALA 88 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3hf9 n ALA 88 Cb 0.71 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.47 0.00 -4.41 0.00 4.01 0.53 -5.07 117.16 110.75 3hf9 n TYR 89 Ca 0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.60 3hf9 n TYR 89 Cb 0.33 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.26 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 2.65 0.39 7.72 3.84 -1.25 -4.97 116.67 126.05 3hf9 s ASP 90 Ca 0.00 -1.17 0.28 0.00 -0.00 0.00 0.00 52.55 51.66 3hf9 s ASP 90 Cb 0.00 -0.15 1.23 0.00 -1.38 0.00 0.00 42.92 42.62 3hf9 s ASP 90 CO 0.00 -0.34 1.84 0.03 -0.00 0.00 0.00 175.17 176.70 3hf9 h ARG 91 N 2.33 0.00 -0.21 2.11 3.08 -1.91 -2.94 114.38 116.84 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 0.66 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.10 3hf9 n ARG 92 N -2.58 1.81 0.14 0.04 1.74 -1.26 -3.45 116.66 113.10 3hf9 n ARG 92 Ca 0.01 -1.23 0.02 0.00 -0.77 0.00 0.00 57.85 55.88 3hf9 n ARG 92 Cb 0.23 -1.39 0.03 0.00 -1.02 0.00 0.00 32.46 30.30 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 2.40 0.00 -3.04 0.55 3.58 -1.89 -3.44 116.42 114.58 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 0.53 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.53 3hf9 h ASP 93 CO 0.00 0.54 0.80 -0.69 -2.88 0.00 0.00 179.24 177.01 3hf9 s VAL 94 N -2.96 4.51 0.05 2.25 1.01 -1.22 -4.94 120.40 119.10 3hf9 s VAL 94 Ca 0.04 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.86 3hf9 s VAL 94 Cb 0.08 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3hf9 s VAL 94 CO 0.75 -0.13 -0.07 0.42 0.00 0.00 0.00 175.10 176.07 3hf9 s THR 95 N 3.07 0.53 0.14 3.92 -4.23 -1.26 -4.96 115.64 112.84 3hf9 s THR 95 Ca 0.49 -1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 59.52 3hf9 s THR 95 Cb -0.19 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.81 3hf9 s THR 95 CO 0.12 -0.52 1.68 1.23 -0.54 0.00 0.00 174.62 176.59 3hf9 h GLY 96 N 4.14 0.05 -0.99 3.99 0.00 -1.93 -2.07 103.07 106.25 3hf9 h GLY 96 Ca -0.35 0.14 0.14 0.00 0.00 0.00 0.00 47.33 47.25 3hf9 h GLY 96 CO 0.47 -0.13 -0.44 -0.09 0.00 0.00 0.00 176.54 176.35 3hf9 h ARG 97 N -0.09 -0.00 0.50 4.80 1.12 -1.95 -1.09 114.38 117.66 3hf9 h ARG 97 Ca 0.11 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.96 3hf9 h ARG 97 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 3hf9 h ARG 97 CO -0.26 -0.00 -0.24 0.37 -3.11 0.00 0.00 179.97 176.73 3hf9 h GLN 98 N -0.00 -0.64 -0.77 0.20 4.15 -1.76 -2.23 115.11 114.05 3hf9 h GLN 98 Ca 0.30 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.84 3hf9 h GLN 98 Cb 0.55 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 3hf9 h GLN 98 CO -0.98 -0.39 0.44 -0.07 -1.93 0.00 0.00 178.83 175.90 3hf9 h LEU 99 N -0.76 0.64 -0.21 -2.39 3.38 -1.00 -1.47 115.31 113.51 3hf9 h LEU 99 Ca -0.07 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hf9 h LEU 99 Cb 0.55 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hf9 h LEU 99 CO 0.11 0.39 0.11 0.00 0.09 0.00 0.00 178.44 179.15 3hf9 h ALA 100 N 1.40 0.25 -0.79 1.53 0.00 -1.15 0.01 119.26 120.52 3hf9 h ALA 100 Ca 0.35 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.45 3hf9 h ALA 100 Cb 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 3hf9 h ALA 100 CO -0.21 -0.30 0.12 -0.97 0.00 0.00 0.00 179.25 177.89 3hf9 h ASN 101 N 0.23 -0.14 -0.28 0.00 -0.73 -0.78 0.28 115.58 114.16 3hf9 h ASN 101 Ca 0.08 0.18 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 3hf9 h ASN 101 Cb 0.01 0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 3hf9 h ASN 101 CO -0.05 -0.14 0.01 0.58 -0.37 0.00 0.00 177.43 177.47 3hf9 h VAL 102 N 0.18 1.25 -0.88 2.57 2.07 -0.41 -1.97 116.25 119.06 3hf9 h VAL 102 Ca 0.46 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hf9 h VAL 102 Cb 0.85 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3hf9 h VAL 102 CO -0.62 0.28 0.53 1.88 0.02 0.00 0.00 177.57 179.66 3hf9 h TYR 103 N 0.27 1.17 0.06 1.57 0.05 -0.44 -1.65 116.97 117.99 3hf9 h TYR 103 Ca 0.08 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.88 3hf9 h TYR 103 Cb 0.40 -0.38 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3hf9 h TYR 103 CO 0.03 0.78 -0.23 0.00 -1.05 0.00 0.00 178.16 177.69 3hf9 h ALA 104 N 1.29 -0.35 0.00 3.88 0.00 -0.21 0.43 119.26 124.30 3hf9 h ALA 104 Ca 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3hf9 h ALA 104 Cb -0.04 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hf9 h ALA 104 CO -0.06 -0.75 -0.10 1.96 0.00 0.00 0.00 179.25 180.30 3hf9 h GLN 105 N -0.40 0.00 0.02 0.00 4.20 -1.04 0.22 115.11 118.12 3hf9 h GLN 105 Ca 0.04 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3hf9 h GLN 105 Cb 0.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3hf9 h GLN 105 CO -0.17 0.10 -0.26 1.15 -0.67 0.00 0.00 178.83 178.98 3hf9 h THR 106 N 0.00 1.66 -0.73 -0.54 2.02 -0.70 -2.45 112.91 112.17 3hf9 h THR 106 Ca -0.00 -2.36 -0.04 0.00 0.77 0.00 0.00 66.41 64.78 3hf9 h THR 106 Cb 0.32 3.24 -0.03 0.00 -1.74 0.00 0.00 68.15 69.94 3hf9 h THR 106 CO 0.01 0.60 0.31 -0.07 0.37 0.00 0.00 175.52 176.74 3hf9 h LEU 107 N -0.91 0.98 -0.31 2.58 3.38 -0.66 -0.49 115.31 119.90 3hf9 h LEU 107 Ca -0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3hf9 h LEU 107 Cb 1.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3hf9 h LEU 107 CO -0.00 0.87 0.15 1.23 0.09 0.00 0.00 178.44 180.78 3hf9 h GLY 108 N 1.11 0.41 0.92 0.83 0.00 -0.66 -0.21 103.07 105.47 3hf9 h GLY 108 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 3hf9 h GLY 108 CO -0.02 0.09 0.02 -0.84 0.00 0.00 0.00 176.54 175.79 3hf9 h THR 109 N 0.32 1.08 -0.74 4.70 2.02 -1.01 -2.39 112.91 116.89 3hf9 h THR 109 Ca 0.13 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3hf9 h THR 109 Cb 0.04 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 3hf9 h THR 109 CO -0.09 0.07 0.41 0.40 0.37 0.00 0.00 175.52 176.68 3hf9 h ILE 110 N -0.02 0.94 0.00 3.11 2.04 -0.90 0.19 117.51 122.87 3hf9 h ILE 110 Ca 0.02 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3hf9 h ILE 110 Cb 0.09 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3hf9 h ILE 110 CO -0.00 0.13 -0.16 0.15 0.00 0.00 0.00 178.15 178.27 3hf9 h PHE 111 N 0.73 0.00 0.01 1.37 3.57 -0.76 -2.05 116.94 119.81 3hf9 h PHE 111 Ca 0.34 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.54 3hf9 h PHE 111 Cb 0.26 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3hf9 h PHE 111 CO -0.07 0.16 -1.64 2.41 -2.23 0.00 0.00 178.31 176.94 3hf9 n THR 112 N -3.54 1.56 0.18 4.41 -1.04 -0.56 -4.77 114.28 110.51 3hf9 n THR 112 Ca -0.01 -0.18 0.07 0.00 -2.04 0.00 0.00 64.05 61.89 3hf9 n THR 112 Cb 0.31 -1.96 -0.10 0.00 -1.82 0.00 0.00 70.33 66.76 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 1.04 -2.40 -2.82 1.02 0.58 -4.99 120.64 108.80 3hf9 n GLU 113 Ca -0.37 -0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.44 3hf9 n GLU 113 Cb 0.77 -1.27 0.07 0.00 -0.02 0.00 0.00 31.44 30.99 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 -2.76 2.12 0.12 3.49 -0.21 -0.78 -5.02 119.66 116.63 3hf9 s GLN 114 Ca -0.02 -0.60 -0.13 0.00 0.02 0.00 0.00 55.36 54.64 3hf9 s GLN 114 Cb 0.09 -2.29 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 3hf9 s GLN 114 CO 0.57 -1.17 1.40 0.00 -2.12 0.00 0.00 175.29 173.96 3hf9 h ALA 115 N -0.43 0.44 -4.00 6.09 0.00 -1.94 -3.44 119.26 115.99 3hf9 h ALA 115 Ca -0.42 -0.50 -0.50 0.00 0.00 0.00 0.00 54.91 53.49 3hf9 h ALA 115 Cb 1.30 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 3hf9 h ALA 115 CO 0.53 0.62 -0.82 0.21 0.00 0.00 0.00 179.25 179.79 3hf9 s LYS 116 N -4.14 1.34 0.55 0.00 2.20 -1.26 -5.13 119.74 113.30 3hf9 s LYS 116 Ca -0.11 -0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 54.81 3hf9 s LYS 116 Cb 0.10 -1.23 -0.05 0.00 -1.51 0.00 0.00 37.83 35.14 3hf9 s LYS 116 CO 0.88 0.23 1.18 -1.25 -0.36 0.00 0.00 175.35 176.03 3hf9 s PRO 117 N -0.06 3.23 0.06 4.03 0.04 -1.26 -4.87 135.00 136.17 3hf9 s PRO 117 Ca -0.00 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.49 3hf9 s PRO 117 Cb -0.09 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3hf9 s PRO 117 CO 0.01 -0.99 1.34 0.71 0.04 0.00 0.00 177.00 178.11 3hf9 s TYR 118 N -1.64 3.18 -1.31 0.56 1.51 -1.26 -4.89 117.35 113.51 3hf9 s TYR 118 Ca 0.74 1.01 -0.12 0.00 -1.01 0.00 0.00 57.07 57.69 3hf9 s TYR 118 Cb -0.28 -3.60 0.13 0.00 -0.11 0.00 0.00 41.96 38.10 3hf9 s TYR 118 CO 0.32 -2.08 1.86 0.39 -1.11 0.00 0.00 175.55 174.93 3hf9 n GLU 119 N 4.38 3.36 -4.12 -0.62 1.02 -1.26 -4.71 120.64 118.69 3hf9 n GLU 119 Ca 0.11 -3.35 -0.10 0.00 -0.02 0.00 0.00 57.16 53.80 3hf9 n GLU 119 Cb 0.44 -3.09 -0.09 0.00 -0.02 0.00 0.00 31.44 28.68 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 1.62 0.10 -0.11 2.62 -7.23 -1.26 -2.08 120.40 114.06 3hf9 s VAL 120 Ca 0.43 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 3hf9 s VAL 120 Cb 0.08 -2.00 0.06 0.00 0.56 0.00 0.00 36.38 35.08 3hf9 s VAL 120 CO -0.01 -0.45 0.24 -0.70 -0.31 0.00 0.00 175.10 173.87 3hf9 s GLU 121 N -4.03 0.13 0.10 4.82 2.12 -0.58 -3.31 118.70 117.95 3hf9 s GLU 121 Ca 0.23 0.66 0.04 0.00 0.36 0.00 0.00 54.97 56.25 3hf9 s GLU 121 Cb 0.07 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 3hf9 s GLU 121 CO 0.01 -0.26 0.10 -0.51 -0.54 0.00 0.00 175.26 174.06 3hf9 s LEU 122 N 2.14 3.81 -0.09 2.70 1.02 -0.20 -1.08 118.68 126.99 3hf9 s LEU 122 Ca -0.01 -0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.11 3hf9 s LEU 122 Cb -0.12 -2.47 0.02 0.00 0.02 0.00 0.00 46.19 43.64 3hf9 s LEU 122 CO -0.08 0.14 -0.07 0.00 0.02 0.00 0.00 176.35 176.36 3hf9 s VAL 124 N 1.41 3.73 -0.06 0.00 1.01 -0.55 -1.08 120.40 124.86 3hf9 s VAL 124 Ca -0.01 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3hf9 s VAL 124 Cb -0.13 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3hf9 s VAL 124 CO -0.04 0.44 -0.23 0.00 0.00 0.00 0.00 175.10 175.27 3hf9 s ALA 125 N 1.00 2.25 0.02 5.51 0.00 -0.71 -1.19 121.76 128.66 3hf9 s ALA 125 Ca 0.01 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3hf9 s ALA 125 Cb -0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3hf9 s ALA 125 CO 0.01 0.42 -0.21 -2.00 0.00 0.00 0.00 175.76 173.99 3hf9 s GLU 126 N -0.20 1.47 0.12 0.00 2.12 -0.36 -1.06 118.70 120.79 3hf9 s GLU 126 Ca -0.02 -0.87 0.08 0.00 0.36 0.00 0.00 54.97 54.52 3hf9 s GLU 126 Cb -0.13 -1.53 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 3hf9 s GLU 126 CO 0.03 0.40 -0.21 0.54 -0.54 0.00 0.00 175.26 175.49 3hf9 s VAL 127 N -0.70 1.77 0.91 3.70 0.11 -0.51 -1.53 120.40 124.16 3hf9 s VAL 127 Ca 0.08 -1.64 -0.11 0.00 -2.93 0.00 0.00 61.98 57.38 3hf9 s VAL 127 Cb -0.08 -1.65 0.13 0.00 -1.53 0.00 0.00 36.38 33.25 3hf9 s VAL 127 CO 0.01 -0.10 1.08 0.00 -3.33 0.00 0.00 175.10 172.76 3hf9 n ALA 128 N 0.91 -0.88 -1.21 1.54 0.00 -1.26 -4.84 120.51 114.77 3hf9 n ALA 128 Ca -0.18 -0.53 -0.31 0.00 0.00 0.00 0.00 53.44 52.42 3hf9 n ALA 128 Cb 0.54 -2.17 0.10 0.00 0.00 0.00 0.00 19.45 17.92 3hf9 n ALA 128 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hf9 s HIS 129 N -2.54 2.49 0.17 0.00 3.76 -1.26 -4.81 115.29 113.09 3hf9 s HIS 129 Ca 0.67 1.58 -0.15 0.00 -0.15 0.00 0.00 55.06 57.01 3hf9 s HIS 129 Cb -0.24 -3.08 0.07 0.00 1.11 0.00 0.00 32.58 30.44 3hf9 s HIS 129 CO 0.58 -1.89 1.80 -0.92 -0.85 0.00 0.00 174.74 173.46 3hf9 h TYR 130 N -1.18 0.50 -0.32 1.40 3.20 -1.79 -3.01 116.97 115.77 3hf9 h TYR 130 Ca -0.44 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 3hf9 h TYR 130 Cb 1.23 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 3hf9 h TYR 130 CO 0.57 0.29 0.01 0.78 -1.64 0.00 0.00 178.16 178.17 3hf9 h GLY 131 N 0.54 0.60 -1.62 1.82 0.00 -1.91 -3.45 103.07 99.05 3hf9 h GLY 131 Ca 0.18 -0.44 -0.50 0.00 0.00 0.00 0.00 47.33 46.58 3hf9 h GLY 131 CO -0.09 0.40 0.28 -1.83 0.00 0.00 0.00 176.54 175.30 3hf9 s GLU 132 N -5.03 3.48 -0.18 4.80 -1.05 -1.14 -5.09 118.70 114.50 3hf9 s GLU 132 Ca -0.13 0.46 -0.00 0.00 -0.15 0.00 0.00 54.97 55.14 3hf9 s GLU 132 Cb 0.09 -2.21 0.01 0.00 -0.44 0.00 0.00 34.13 31.57 3hf9 s GLU 132 CO 0.77 -0.46 -0.15 0.95 0.95 0.00 0.00 175.26 177.31 3hf9 s THR 133 N -3.00 2.55 0.01 1.83 -4.23 -1.26 -4.28 115.64 107.25 3hf9 s THR 133 Ca 0.52 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 60.14 3hf9 s THR 133 Cb -0.11 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.65 3hf9 s THR 133 CO 0.50 0.51 0.21 -0.75 -0.54 0.00 0.00 174.62 174.54 3hf9 s LYS 134 N 1.11 0.60 0.38 3.99 2.20 -1.26 -5.04 119.74 121.72 3hf9 s LYS 134 Ca 0.00 -0.39 -0.26 0.00 -0.36 0.00 0.00 55.97 54.96 3hf9 s LYS 134 Cb -0.14 0.26 -0.09 0.00 -1.51 0.00 0.00 37.83 36.34 3hf9 s LYS 134 CO -0.05 -0.16 1.22 0.50 -0.36 0.00 0.00 175.35 176.50 3hf9 s ARG 135 N -1.68 4.13 0.56 4.03 3.52 -1.26 -4.21 118.95 124.04 3hf9 s ARG 135 Ca -0.12 1.98 -0.19 0.00 -0.13 0.00 0.00 55.73 57.27 3hf9 s ARG 135 Cb -0.05 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 3hf9 s ARG 135 CO 0.01 -0.29 1.18 -2.14 -0.81 0.00 0.00 175.30 173.24 3hf9 s PRO 136 N -2.12 3.19 -0.11 5.12 0.02 -1.26 -4.67 135.00 135.18 3hf9 s PRO 136 Ca 0.54 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.32 3hf9 s PRO 136 Cb -0.34 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.19 3hf9 s PRO 136 CO 0.44 -1.01 -0.12 -1.21 -0.33 0.00 0.00 177.00 174.77 3hf9 s GLU 137 N -3.25 1.88 -0.03 5.54 2.02 -0.58 -4.99 118.70 119.29 3hf9 s GLU 137 Ca 0.74 -0.42 0.04 0.00 0.02 0.00 0.00 54.97 55.35 3hf9 s GLU 137 Cb -0.28 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 3hf9 s GLU 137 CO 0.31 -0.13 -0.13 -0.51 0.02 0.00 0.00 175.26 174.82 3hf9 s LEU 138 N 1.22 2.84 -0.02 1.80 1.02 -1.22 -1.23 118.68 123.09 3hf9 s LEU 138 Ca -0.03 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.96 3hf9 s LEU 138 Cb -0.14 -1.61 -0.00 0.00 0.02 0.00 0.00 46.19 44.46 3hf9 s LEU 138 CO -0.04 0.33 -0.11 -0.31 0.02 0.00 0.00 176.35 176.24 3hf9 s TYR 139 N -0.81 1.06 -0.23 0.29 1.51 -0.33 -2.88 117.35 115.97 3hf9 s TYR 139 Ca 0.13 -0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 55.90 3hf9 s TYR 139 Cb -0.11 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.02 3hf9 s TYR 139 CO 0.02 -0.07 -0.02 0.50 -1.11 0.00 0.00 175.55 174.87 3hf9 s ARG 140 N -0.03 3.33 -0.15 -0.62 3.52 -0.01 -1.48 118.95 123.52 3hf9 s ARG 140 Ca 0.00 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 54.90 3hf9 s ARG 140 Cb -0.07 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 3hf9 s ARG 140 CO 0.00 -0.24 -0.02 0.42 -0.81 0.00 0.00 175.30 174.65 3hf9 s ILE 141 N 1.48 4.03 0.46 4.11 1.09 -0.47 -1.22 121.20 130.68 3hf9 s ILE 141 Ca 0.05 -0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.36 3hf9 s ILE 141 Cb -0.15 -2.76 -0.00 0.00 -1.06 0.00 0.00 42.46 38.49 3hf9 s ILE 141 CO -0.02 0.50 0.41 0.42 -0.10 0.00 0.00 174.94 176.15 3hf9 s THR 142 N 0.23 2.37 0.65 2.92 -4.23 -0.84 -1.03 115.64 115.71 3hf9 s THR 142 Ca -0.02 -1.37 0.26 0.00 -1.18 0.00 0.00 61.69 59.39 3hf9 s THR 142 Cb -0.14 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.25 3hf9 s THR 142 CO 0.02 0.00 1.79 0.10 -0.54 0.00 0.00 174.62 175.99 3hf9 h TYR 143 N 0.91 0.00 -0.02 3.99 -0.00 -1.83 -0.78 116.97 119.24 3hf9 h TYR 143 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.34 3hf9 h TYR 143 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 3hf9 h TYR 143 CO 0.62 0.00 -0.15 -0.40 -0.00 0.00 0.00 178.16 178.22 3hf9 n ASP 144 N -3.01 2.39 0.00 0.10 5.75 -1.26 -4.60 116.55 115.91 3hf9 n ASP 144 Ca 0.01 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3hf9 n ASP 144 Cb 0.54 0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 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 1.21 0.29 3.74 6.12 0.00 -0.30 -4.01 105.19 112.24 3hf9 n GLY 145 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 6.64 -0.14 1.61 0.01 -1.26 -4.73 113.70 113.47 3hf9 s SER 146 Ca 0.00 2.65 0.01 0.00 1.31 0.00 0.00 55.95 59.92 3hf9 s SER 146 Cb 0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.63 3hf9 s SER 146 CO 0.00 -0.73 -0.15 -0.51 0.41 0.00 0.00 173.24 172.26 3hf9 s ILE 147 N 0.26 1.60 0.13 1.44 2.07 -1.26 -1.99 121.20 123.45 3hf9 s ILE 147 Ca 0.62 -0.67 0.06 0.00 -1.41 0.00 0.00 60.65 59.25 3hf9 s ILE 147 Cb -0.42 -1.48 -0.04 0.00 0.13 0.00 0.00 42.46 40.65 3hf9 s ILE 147 CO 0.41 0.46 -0.01 0.00 -1.91 0.00 0.00 174.94 173.88 3hf9 s ALA 148 N 1.30 3.20 -0.38 1.50 0.00 -0.36 -4.98 121.76 122.05 3hf9 s ALA 148 Ca 0.01 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.73 3hf9 s ALA 148 Cb -0.14 -1.06 0.12 0.00 0.00 0.00 0.00 23.12 22.04 3hf9 s ALA 148 CO -0.08 0.59 0.16 0.16 0.00 0.00 0.00 175.76 176.59 3hf9 s ASP 149 N -2.59 4.04 0.61 0.00 -4.77 -1.26 -0.83 116.67 111.86 3hf9 s ASP 149 Ca 0.26 -2.21 -0.12 0.00 -3.30 0.00 0.00 52.55 47.17 3hf9 s ASP 149 Cb -0.10 -1.12 -0.04 0.00 -1.09 0.00 0.00 42.92 40.56 3hf9 s ASP 149 CO 0.18 -0.34 1.03 -1.61 0.70 0.00 0.00 175.17 175.13 3hf9 s GLU 150 N 0.86 3.56 -0.09 2.11 2.02 -1.14 -4.95 118.70 121.08 3hf9 s GLU 150 Ca 0.14 0.84 0.16 0.00 0.02 0.00 0.00 54.97 56.13 3hf9 s GLU 150 Cb -0.21 -2.08 -0.24 0.00 0.10 0.00 0.00 34.13 31.70 3hf9 s GLU 150 CO -0.10 -0.60 0.24 -0.35 0.02 0.00 0.00 175.26 174.46 3hf9 n PRO 151 N -2.56 0.89 -0.03 0.39 -0.05 -1.26 -3.46 135.00 128.93 3hf9 n PRO 151 Ca 0.06 -0.09 -0.07 0.00 -0.05 0.00 0.00 63.50 63.35 3hf9 n PRO 151 Cb 0.54 -1.42 -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 -2.33 0.00 -4.03 0.54 8.25 -1.26 -4.83 115.22 111.56 3hf9 n HIS 152 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 3hf9 n HIS 152 Cb 0.72 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.28 0.54 -0.03 4.41 -0.12 -1.26 -1.64 117.98 117.60 3hf9 s PHE 153 Ca -0.13 -0.87 -0.02 0.00 -0.05 0.00 0.00 56.93 55.86 3hf9 s PHE 153 Cb 0.03 -0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.40 3hf9 s PHE 153 CO 0.17 -0.84 0.07 0.08 -0.05 0.00 0.00 175.22 174.66 3hf9 s VAL 154 N -4.03 -0.02 -0.07 -2.49 1.01 0.50 -4.82 120.40 110.48 3hf9 s VAL 154 Ca 0.24 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.33 3hf9 s VAL 154 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.29 3hf9 s VAL 154 CO 0.07 0.03 -0.17 -0.69 0.00 0.00 0.00 175.10 174.34 3hf9 s VAL 155 N 0.43 1.49 0.05 2.92 1.01 -1.26 -1.45 120.40 123.59 3hf9 s VAL 155 Ca -0.03 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.28 3hf9 s VAL 155 Cb -0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3hf9 s VAL 155 CO -0.02 0.43 -0.11 -0.04 0.00 0.00 0.00 175.10 175.37 3hf9 s MET 156 N 0.41 0.68 0.11 2.72 -1.94 -0.43 -4.99 119.30 115.86 3hf9 s MET 156 Ca -0.13 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 3hf9 s MET 156 Cb -0.15 -0.58 0.00 0.00 2.01 0.00 0.00 34.83 36.10 3hf9 s MET 156 CO 0.05 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.60 3hf9 n GLY 157 N 1.59 -2.86 7.00 -0.03 0.00 -1.26 -0.85 105.19 108.78 3hf9 n GLY 157 Ca -0.21 -1.32 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 -2.15 1.00 3.47 -0.02 0.00 -0.64 -4.26 105.19 102.59 3hf9 n GLY 158 Ca -0.01 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 4.75 0.11 2.61 -4.23 -1.26 -4.53 115.64 113.09 3hf9 s THR 159 Ca 0.00 -0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 3hf9 s THR 159 Cb 0.00 -4.36 -0.23 0.00 1.34 0.00 0.00 72.50 69.25 3hf9 s THR 159 CO 0.00 -0.88 1.23 0.71 -0.54 0.00 0.00 174.62 175.14 3hf9 h THR 160 N 5.90 1.49 -0.30 3.99 1.35 -1.94 -3.38 112.91 120.03 3hf9 h THR 160 Ca -0.27 -2.87 0.05 0.00 -0.55 0.00 0.00 66.41 62.77 3hf9 h THR 160 Cb 1.09 2.74 -0.05 0.00 -1.73 0.00 0.00 68.15 70.20 3hf9 h THR 160 CO 0.99 0.84 -0.00 -0.33 -0.25 0.00 0.00 175.52 176.77 3hf9 h GLU 161 N 0.11 0.08 -0.80 4.72 3.07 -1.96 0.20 114.58 120.01 3hf9 h GLU 161 Ca -0.10 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 58.92 3hf9 h GLU 161 Cb 1.79 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.63 3hf9 h GLU 161 CO 0.18 0.06 0.53 -1.35 -1.40 0.00 0.00 179.01 177.03 3hf9 h PRO 162 N 0.09 0.39 0.16 2.33 0.11 -1.90 0.26 132.00 133.43 3hf9 h PRO 162 Ca 0.14 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.89 3hf9 h PRO 162 Cb 0.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3hf9 h PRO 162 CO -0.24 0.26 -1.73 0.82 -0.21 0.00 0.00 178.00 176.90 3hf9 h ILE 163 N 0.40 0.88 -0.83 4.15 2.04 -1.43 -2.69 117.51 120.04 3hf9 h ILE 163 Ca 0.40 -2.44 -0.01 0.00 1.00 0.00 0.00 64.86 63.81 3hf9 h ILE 163 Cb 0.96 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.69 3hf9 h ILE 163 CO -0.13 0.83 0.49 0.00 0.00 0.00 0.00 178.15 179.34 3hf9 h ALA 164 N 0.06 1.05 -0.11 1.87 0.00 -0.16 -1.80 119.26 120.18 3hf9 h ALA 164 Ca -0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3hf9 h ALA 164 Cb 2.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3hf9 h ALA 164 CO 0.13 0.53 -0.04 -0.91 0.00 0.00 0.00 179.25 178.95 3hf9 h ASN 165 N 1.14 0.22 -0.93 0.00 2.35 -1.08 -0.58 115.58 116.70 3hf9 h ASN 165 Ca 0.30 -0.40 0.21 0.00 -0.55 0.00 0.00 56.30 55.86 3hf9 h ASN 165 Cb -0.03 -0.06 -0.12 0.00 0.05 0.00 0.00 38.32 38.16 3hf9 h ASN 165 CO -0.05 0.57 0.47 0.00 -1.65 0.00 0.00 177.43 176.76 3hf9 h ALA 166 N 0.66 1.53 -0.02 -0.83 0.00 -1.32 -2.21 119.26 117.07 3hf9 h ALA 166 Ca 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hf9 h ALA 166 Cb 0.48 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hf9 h ALA 166 CO 0.01 -0.26 -0.25 -0.07 0.00 0.00 0.00 179.25 178.68 3hf9 h LEU 167 N 0.51 0.26 -0.98 0.00 3.38 -1.22 -2.52 115.31 114.74 3hf9 h LEU 167 Ca 0.57 -0.72 0.32 0.00 0.09 0.00 0.00 57.88 58.15 3hf9 h LEU 167 Cb 1.04 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 3hf9 h LEU 167 CO -0.48 0.94 0.29 0.11 0.09 0.00 0.00 178.44 179.39 3hf9 h LYS 168 N -0.39 0.06 0.11 1.13 1.57 -0.47 0.18 116.57 118.76 3hf9 h LYS 168 Ca -0.02 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 3hf9 h LYS 168 Cb 0.96 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 3hf9 h LYS 168 CO 0.05 0.04 -1.91 1.05 -0.57 0.00 0.00 179.45 178.11 3hf9 h GLU 169 N 0.06 0.22 -0.37 3.15 4.11 -1.61 -3.37 114.58 116.78 3hf9 h GLU 169 Ca 0.70 -0.38 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3hf9 h GLU 169 Cb 1.62 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3hf9 h GLU 169 CO -0.80 1.08 0.00 -1.13 0.07 0.00 0.00 179.01 178.23 3hf9 n SER 170 N -3.40 1.96 -4.57 3.06 3.41 -0.68 -4.90 113.62 108.50 3hf9 n SER 170 Ca -0.28 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 55.93 3hf9 n SER 170 Cb 1.05 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.51 3.20 -0.24 7.33 5.04 0.56 -4.94 117.35 126.78 3hf9 s TYR 171 Ca 0.25 0.22 -0.06 0.00 -2.44 0.00 0.00 57.07 55.03 3hf9 s TYR 171 Cb 0.13 -2.84 -0.02 0.00 0.35 0.00 0.00 41.96 39.57 3hf9 s TYR 171 CO 0.17 -0.47 0.04 0.00 -1.34 0.00 0.00 175.55 173.95 3hf9 s ALA 172 N 2.31 3.09 0.23 3.97 0.00 -1.26 -5.02 121.76 125.08 3hf9 s ALA 172 Ca 0.18 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 3hf9 s ALA 172 Cb -0.16 -1.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.90 3hf9 s ALA 172 CO 0.12 -0.43 1.03 -1.83 0.00 0.00 0.00 175.76 174.65 3hf9 s GLU 173 N 1.50 4.72 -0.37 0.00 -1.05 -1.26 -3.02 118.70 119.22 3hf9 s GLU 173 Ca 0.06 1.64 0.00 0.00 -0.15 0.00 0.00 54.97 56.52 3hf9 s GLU 173 Cb -0.15 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.29 3hf9 s GLU 173 CO 0.02 0.30 0.00 0.09 0.95 0.00 0.00 175.26 176.62 3hf9 n ASN 174 N 1.65 -2.09 -4.69 0.83 4.13 -1.26 -4.96 115.26 108.87 3hf9 n ASN 174 Ca -0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 3hf9 n ASN 174 Cb 0.46 -1.40 0.14 0.00 -1.54 0.00 0.00 39.78 37.44 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hf9 s ALA 175 N -2.21 1.70 1.05 5.41 0.00 -1.17 -4.39 121.76 122.16 3hf9 s ALA 175 Ca 0.00 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 3hf9 s ALA 175 Cb 0.00 -3.46 0.22 0.00 0.00 0.00 0.00 23.12 19.88 3hf9 s ALA 175 CO 0.00 -2.47 1.10 -1.54 0.00 0.00 0.00 175.76 172.85 3hf9 s SER 176 N -2.47 2.18 0.05 0.00 1.04 -1.26 -2.50 113.70 110.74 3hf9 s SER 176 Ca 0.69 1.00 -0.30 0.00 0.48 0.00 0.00 55.95 57.83 3hf9 s SER 176 Cb -0.25 -1.55 -0.18 0.00 0.10 0.00 0.00 66.02 64.14 3hf9 s SER 176 CO 0.54 -3.38 1.48 0.25 0.98 0.00 0.00 173.24 173.10 3hf9 h LEU 177 N -2.07 -0.65 -2.33 2.42 5.85 -1.99 -1.83 115.31 114.71 3hf9 h LEU 177 Ca -0.52 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3hf9 h LEU 177 Cb 1.32 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 3hf9 h LEU 177 CO 0.52 -0.39 -0.02 0.00 -0.34 0.00 0.00 178.44 178.21 3hf9 h THR 178 N -0.89 0.58 0.38 1.05 1.03 -1.93 -0.69 112.91 112.45 3hf9 h THR 178 Ca -0.08 -0.10 -0.02 0.00 -0.01 0.00 0.00 66.41 66.20 3hf9 h THR 178 Cb 0.63 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 3hf9 h THR 178 CO 0.13 0.02 -0.18 0.44 -0.01 0.00 0.00 175.52 175.92 3hf9 h ASP 179 N 0.00 -0.43 -0.98 0.00 3.45 -1.88 -3.08 116.42 113.51 3hf9 h ASP 179 Ca -0.00 0.01 0.22 0.00 0.43 0.00 0.00 57.03 57.69 3hf9 h ASP 179 Cb 0.06 0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 38.86 3hf9 h ASP 179 CO 0.00 -0.08 0.63 0.00 -1.57 0.00 0.00 179.24 178.22 3hf9 h ALA 180 N -1.32 2.06 -0.84 3.45 0.00 -0.91 0.88 119.26 122.58 3hf9 h ALA 180 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hf9 h ALA 180 Cb 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3hf9 h ALA 180 CO 0.08 -0.41 0.51 1.25 0.00 0.00 0.00 179.25 180.68 3hf9 h LEU 181 N 0.51 1.01 -0.00 0.00 5.85 -1.21 -1.28 115.31 120.19 3hf9 h LEU 181 Ca 0.54 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 3hf9 h LEU 181 Cb 1.20 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 3hf9 h LEU 181 CO -0.27 0.78 -0.00 0.03 -0.34 0.00 0.00 178.44 178.64 3hf9 h ARG 182 N 1.16 0.00 -0.87 1.25 3.08 -0.76 -1.50 114.38 116.73 3hf9 h ARG 182 Ca 0.30 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.55 3hf9 h ARG 182 Cb -0.04 -0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.89 3hf9 h ARG 182 CO -0.06 0.40 0.39 0.82 -1.07 0.00 0.00 179.97 180.45 3hf9 h ILE 183 N -0.40 0.54 0.17 2.04 2.04 -1.23 0.21 117.51 120.88 3hf9 h ILE 183 Ca 0.00 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3hf9 h ILE 183 Cb 0.40 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3hf9 h ILE 183 CO 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.15 3hf9 h ALA 184 N 1.67 -0.22 -0.61 1.87 0.00 -1.12 -0.73 119.26 120.12 3hf9 h ALA 184 Ca 0.53 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3hf9 h ALA 184 Cb 0.94 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3hf9 h ALA 184 CO -0.49 -0.37 0.40 0.28 0.00 0.00 0.00 179.25 179.07 3hf9 h VAL 185 N -0.73 0.99 0.91 0.00 2.07 -0.88 -0.16 116.25 118.45 3hf9 h VAL 185 Ca -0.02 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3hf9 h VAL 185 Cb 0.51 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hf9 h VAL 185 CO 0.04 0.10 -0.44 0.00 0.02 0.00 0.00 177.57 177.29 3hf9 h ALA 186 N 1.67 -1.30 -0.63 1.67 0.00 -0.51 -2.50 119.26 117.67 3hf9 h ALA 186 Ca 0.26 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 186 Cb 0.30 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3hf9 h ALA 186 CO -0.08 -1.21 0.45 0.00 0.00 0.00 0.00 179.25 178.42 3hf9 h ALA 187 N -1.40 2.59 -0.01 0.00 0.00 -0.62 0.13 119.26 119.96 3hf9 h ALA 187 Ca -0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3hf9 h ALA 187 Cb 0.94 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hf9 h ALA 187 CO 0.21 -0.78 -0.52 -0.07 0.00 0.00 0.00 179.25 178.09 3hf9 h LEU 188 N 0.00 0.03 -0.69 0.00 3.38 -0.88 -3.27 115.31 113.89 3hf9 h LEU 188 Ca 0.30 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.36 3hf9 h LEU 188 Cb 1.20 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 3hf9 h LEU 188 CO -0.00 0.55 0.30 0.03 0.09 0.00 0.00 178.44 179.41 3hf9 h ARG 189 N 0.02 0.49 0.00 1.13 3.08 -0.27 -3.49 114.38 115.33 3hf9 h ARG 189 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hf9 h ARG 189 Cb 0.93 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3hf9 h ARG 189 CO 0.07 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 3hf9 n ALA 190 N -2.45 0.42 0.00 0.04 0.00 -1.23 -5.13 120.51 112.16 3hf9 n ALA 190 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hf9 n ALA 190 Cb 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.13 0.00 -0.02 0.00 0.24 -1.26 -4.67 118.33 112.49 3hf9 n VAL 205 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 3hf9 n VAL 205 Cb 0.00 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 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 -0.38 2.20 -0.89 2.33 0.00 -1.26 -4.41 120.51 118.09 3hf9 n ALA 206 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 53.44 52.54 3hf9 n ALA 206 Cb 0.00 -0.28 0.36 0.00 0.00 0.00 0.00 19.45 19.54 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 0.22 5.17 -4.29 0.00 7.64 -1.26 -4.73 113.62 116.37 3hf9 n SER 207 Ca 0.07 -2.90 -0.29 0.00 1.01 0.00 0.00 58.87 56.76 3hf9 n SER 207 Cb 0.33 -0.64 -0.15 0.00 -1.01 0.00 0.00 64.21 62.74 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 -2.68 2.11 -0.25 -3.43 1.43 -1.25 -0.73 118.68 113.89 3hf9 s LEU 208 Ca 0.51 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3hf9 s LEU 208 Cb 0.39 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 45.42 3hf9 s LEU 208 CO 0.15 0.26 -0.03 -0.70 0.23 0.00 0.00 176.35 176.25 3hf9 s GLU 209 N -0.91 2.99 0.06 1.70 2.12 -0.39 -4.74 118.70 119.54 3hf9 s GLU 209 Ca 0.10 -0.88 0.08 0.00 0.36 0.00 0.00 54.97 54.63 3hf9 s GLU 209 Cb -0.09 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 3hf9 s GLU 209 CO 0.01 -0.36 -0.23 0.08 -0.54 0.00 0.00 175.26 174.21 3hf9 s VAL 210 N 1.39 1.88 0.16 3.70 1.01 -1.26 -1.70 120.40 125.58 3hf9 s VAL 210 Ca 0.02 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.42 3hf9 s VAL 210 Cb -0.16 -1.64 0.06 0.00 0.00 0.00 0.00 36.38 34.65 3hf9 s VAL 210 CO -0.03 0.21 0.57 0.00 0.00 0.00 0.00 175.10 175.85 3hf9 s ALA 211 N -0.87 -1.48 0.06 5.51 0.00 -0.76 -2.38 121.76 121.83 3hf9 s ALA 211 Ca 0.09 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 3hf9 s ALA 211 Cb -0.09 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3hf9 s ALA 211 CO 0.03 -0.75 -0.04 0.14 0.00 0.00 0.00 175.76 175.13 3hf9 s VAL 212 N -3.76 0.36 -0.27 0.00 -7.23 -0.33 -0.66 120.40 108.51 3hf9 s VAL 212 Ca 0.02 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 3hf9 s VAL 212 Cb -0.01 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 3hf9 s VAL 212 CO -0.12 -0.91 0.07 -0.22 -0.31 0.00 0.00 175.10 173.60 3hf9 s LEU 213 N -2.82 3.59 -0.31 1.32 2.96 0.19 -1.75 118.68 121.86 3hf9 s LEU 213 Ca 0.06 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.44 3hf9 s LEU 213 Cb 0.05 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3hf9 s LEU 213 CO -0.08 -0.11 0.14 -0.62 -1.32 0.00 0.00 176.35 174.37 3hf9 s ASP 214 N 1.56 5.50 0.30 3.68 2.15 0.26 -3.18 116.67 126.94 3hf9 s ASP 214 Ca 0.05 -0.54 0.01 0.00 0.43 0.00 0.00 52.55 52.50 3hf9 s ASP 214 Cb -0.16 -1.99 0.48 0.00 -0.30 0.00 0.00 42.92 40.95 3hf9 s ASP 214 CO 0.03 -0.19 1.85 0.00 -0.17 0.00 0.00 175.17 176.68 3hf9 h ALA 215 N 8.34 1.28 -0.48 3.66 0.00 -1.76 -2.90 119.26 127.40 3hf9 h ALA 215 Ca -0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3hf9 h ALA 215 Cb 1.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 215 CO 0.61 0.50 0.16 -0.97 0.00 0.00 0.00 179.25 179.55 3hf9 h ASN 216 N 0.69 0.64 -3.25 0.00 -1.24 -1.93 -3.37 115.58 107.12 3hf9 h ASN 216 Ca 0.15 -0.08 -0.56 0.00 0.71 0.00 0.00 56.30 56.52 3hf9 h ASN 216 Cb 0.30 -0.16 0.10 0.00 0.73 0.00 0.00 38.32 39.28 3hf9 h ASN 216 CO 0.00 0.60 0.69 0.54 -1.29 0.00 0.00 177.43 177.97 3hf9 n ARG 217 N -4.33 2.37 -0.19 6.67 5.12 -1.10 -4.92 116.66 120.28 3hf9 n ARG 217 Ca 0.04 0.84 -0.08 0.00 -1.93 0.00 0.00 57.85 56.71 3hf9 n ARG 217 Cb 0.17 -2.52 0.02 0.00 -1.16 0.00 0.00 32.46 28.97 3hf9 n ARG 217 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hf9 h PRO 218 N 3.69 0.81 0.00 5.56 0.13 -1.89 -3.41 132.00 136.88 3hf9 h PRO 218 Ca -0.47 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3hf9 h PRO 218 Cb 1.26 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3hf9 h PRO 218 CO 0.71 0.70 0.00 -2.13 -0.23 0.00 0.00 178.00 177.05 3hf9 n ARG 219 N -4.52 0.00 -2.86 0.86 0.00 -1.26 -4.59 116.66 104.29 3hf9 n ARG 219 Ca 0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.46 3hf9 n ARG 219 Cb 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 32.46 32.43 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3hf9 s ARG 220 N -1.45 4.48 -0.02 -0.14 0.52 -1.26 -4.41 118.95 116.66 3hf9 s ARG 220 Ca 0.00 1.17 0.22 0.00 -0.52 0.00 0.00 55.73 56.60 3hf9 s ARG 220 Cb 0.00 -3.47 -0.32 0.00 0.52 0.00 0.00 34.95 31.67 3hf9 s ARG 220 CO 0.00 -0.05 0.51 0.00 0.02 0.00 0.00 175.30 175.77 3hf9 n ALA 221 N 4.07 2.79 -1.82 2.13 0.00 0.14 -4.75 120.51 123.08 3hf9 n ALA 221 Ca 0.03 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 3hf9 n ALA 221 Cb 0.51 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 3hf9 n ALA 221 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hf9 s PHE 222 N -3.51 3.24 0.02 0.00 5.36 -1.26 -0.57 117.98 121.26 3hf9 s PHE 222 Ca -0.08 1.45 -0.12 0.00 -0.96 0.00 0.00 56.93 57.22 3hf9 s PHE 222 Cb 0.14 -3.55 0.01 0.00 -0.34 0.00 0.00 43.02 39.28 3hf9 s PHE 222 CO 0.90 -1.50 0.25 0.50 -1.46 0.00 0.00 175.22 173.92 3hf9 s ARG 223 N -1.31 0.68 0.12 10.12 3.52 -0.72 -4.93 118.95 126.43 3hf9 s ARG 223 Ca 0.49 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.75 3hf9 s ARG 223 Cb -0.37 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 3hf9 s ARG 223 CO 0.46 -0.20 -0.17 1.03 -0.81 0.00 0.00 175.30 175.61 3hf9 s ARG 224 N -1.95 1.10 -0.29 5.12 0.52 -1.26 -1.18 118.95 121.01 3hf9 s ARG 224 Ca -0.10 -1.23 -0.03 0.00 -0.52 0.00 0.00 55.73 53.85 3hf9 s ARG 224 Cb -0.03 -1.17 0.04 0.00 0.52 0.00 0.00 34.95 34.31 3hf9 s ARG 224 CO -0.00 0.25 0.01 0.42 0.02 0.00 0.00 175.30 175.99 3hf9 s ILE 225 N -1.71 3.18 0.17 1.52 1.01 -1.00 -4.97 121.20 119.39 3hf9 s ILE 225 Ca 0.09 -1.16 -0.10 0.00 0.00 0.00 0.00 60.65 59.48 3hf9 s ILE 225 Cb -0.07 -2.74 0.05 0.00 0.01 0.00 0.00 42.46 39.71 3hf9 s ILE 225 CO 0.04 -0.01 1.63 0.74 0.00 0.00 0.00 174.94 177.34 3hf9 h THR 226 N 6.26 1.27 0.00 2.92 2.02 -1.99 -3.41 112.91 119.98 3hf9 h THR 226 Ca -0.26 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.75 3hf9 h THR 226 Cb 1.09 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3hf9 h THR 226 CO 0.56 0.42 0.00 0.61 0.37 0.00 0.00 175.52 177.48 3hf9 n GLY 227 N -0.38 2.11 0.14 2.16 0.00 -1.26 -4.88 105.19 103.07 3hf9 n GLY 227 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hf9 h SER 228 N 1.22 0.34 -0.75 1.61 0.02 -1.99 0.13 113.55 114.13 3hf9 h SER 228 Ca 0.00 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3hf9 h SER 228 Cb 0.00 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3hf9 h SER 228 CO 0.00 0.45 0.35 0.00 -1.14 0.00 0.00 176.83 176.49 3hf9 h ALA 229 N 0.90 1.18 -0.51 3.77 0.00 -1.95 -0.60 119.26 122.05 3hf9 h ALA 229 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hf9 h ALA 229 Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hf9 h ALA 229 CO -0.00 0.62 0.10 -0.07 0.00 0.00 0.00 179.25 179.89 3hf9 h LEU 230 N 1.09 0.79 -0.73 0.00 3.38 -1.76 1.11 115.31 119.19 3hf9 h LEU 230 Ca 0.26 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hf9 h LEU 230 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hf9 h LEU 230 CO -0.03 0.84 0.22 -0.61 0.09 0.00 0.00 178.44 178.95 3hf9 h GLN 231 N 0.71 1.15 -0.65 1.13 4.15 -0.45 2.03 115.11 123.17 3hf9 h GLN 231 Ca 0.16 -0.25 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 3hf9 h GLN 231 Cb 0.37 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3hf9 h GLN 231 CO 0.01 0.98 0.18 0.00 -1.93 0.00 0.00 178.83 178.07 3hf9 h ALA 232 N 1.11 1.08 0.00 3.38 0.00 -0.54 -1.83 119.26 122.46 3hf9 h ALA 232 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hf9 h ALA 232 Cb 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hf9 h ALA 232 CO -0.01 0.62 -0.75 -0.07 0.00 0.00 0.00 179.25 179.04 3hf9 h LEU 233 N 0.98 0.00 -0.26 0.00 3.38 0.26 -3.27 115.31 116.38 3hf9 h LEU 233 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hf9 h LEU 233 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hf9 h LEU 233 CO -0.00 0.05 0.00 -0.07 0.09 0.00 0.00 178.44 178.51 3hf9 h LEU 234 N 0.00 0.00 0.00 1.67 3.38 0.35 -3.45 115.31 117.26 3hf9 h LEU 234 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hf9 h LEU 234 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3hf9 h LEU 234 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.86