#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 n GLN 11 N 0.00 0.40 -0.31 5.31 3.00 -1.26 -4.22 117.38 120.30 3hf9 n GLN 11 Ca 0.00 0.18 0.15 0.00 -0.01 0.00 0.00 57.00 57.32 3hf9 n GLN 11 Cb 0.00 -1.18 0.33 0.00 0.00 0.00 0.00 30.24 29.39 3hf9 n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hf9 h ALA 12 N -0.69 1.41 0.00 -1.58 0.00 -2.06 -1.84 119.26 114.50 3hf9 h ALA 12 Ca -0.47 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 3hf9 h ALA 12 Cb 1.40 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3hf9 h ALA 12 CO -0.28 -0.49 -0.71 1.98 0.00 0.00 0.00 179.25 179.75 3hf9 h MET 13 N 0.23 0.00 0.00 0.00 -1.53 -2.00 -2.69 114.93 108.94 3hf9 h MET 13 Ca 0.59 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.61 3hf9 h MET 13 Cb 1.22 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.23 3hf9 h MET 13 CO -0.65 0.71 -1.32 0.00 0.14 0.00 0.00 176.91 175.80 3hf9 h ARG 14 N 0.00 0.00 0.25 0.39 3.08 -1.65 -2.56 114.38 113.89 3hf9 h ARG 14 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hf9 h ARG 14 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 3hf9 h ARG 14 CO 0.09 0.67 -0.12 1.49 -1.07 0.00 0.00 179.97 181.03 3hf9 h GLU 15 N 0.00 -0.33 -0.37 0.04 4.81 -1.28 -1.80 114.58 115.65 3hf9 h GLU 15 Ca -0.15 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3hf9 h GLU 15 Cb 1.83 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 3hf9 h GLU 15 CO 0.09 -0.21 0.22 0.00 -0.73 0.00 0.00 179.01 178.38 3hf9 h ARG 16 N -0.35 0.43 -0.43 1.92 3.08 -1.55 -1.04 114.38 116.43 3hf9 h ARG 16 Ca -0.03 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.11 3hf9 h ARG 16 Cb 0.27 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3hf9 h ARG 16 CO 0.06 0.28 0.35 1.03 -1.07 0.00 0.00 179.97 180.62 3hf9 h SER 17 N 0.44 0.00 0.01 7.04 0.87 -1.34 -1.73 113.55 118.84 3hf9 h SER 17 Ca 0.15 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3hf9 h SER 17 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3hf9 h SER 17 CO -0.07 0.00 -0.01 -0.33 -0.53 0.00 0.00 176.83 175.89 3hf9 h GLU 18 N 0.00 -0.02 -0.71 2.24 4.39 -0.32 -2.08 114.58 118.08 3hf9 h GLU 18 Ca 0.21 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.05 3hf9 h GLU 18 Cb 0.91 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.43 3hf9 h GLU 18 CO -0.00 0.56 -0.16 1.25 -1.16 0.00 0.00 179.01 179.50 3hf9 h LEU 19 N -0.99 -0.62 0.91 1.33 5.85 -1.06 0.16 115.31 120.89 3hf9 h LEU 19 Ca -0.00 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3hf9 h LEU 19 Cb 0.58 0.43 0.01 0.00 0.37 0.00 0.00 40.66 42.05 3hf9 h LEU 19 CO 0.00 -0.23 -0.44 0.00 -0.34 0.00 0.00 178.44 177.44 3hf9 h ALA 20 N 1.71 -1.28 -0.34 1.25 0.00 -1.44 -2.05 119.26 117.10 3hf9 h ALA 20 Ca 0.35 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 20 Cb 0.54 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hf9 h ALA 20 CO -0.72 -1.19 0.26 -0.09 0.00 0.00 0.00 179.25 177.51 3hf9 h ARG 21 N -1.27 0.00 0.16 0.00 2.43 -0.61 -1.45 114.38 113.64 3hf9 h ARG 21 Ca -0.13 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3hf9 h ARG 21 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3hf9 h ARG 21 CO 0.21 0.00 -0.08 0.87 -1.51 0.00 0.00 179.97 179.46 3hf9 h LYS 22 N 0.00 -0.21 -0.78 0.20 1.57 -0.64 -2.55 116.57 114.16 3hf9 h LYS 22 Ca 0.16 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.15 3hf9 h LYS 22 Cb 0.68 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 3hf9 h LYS 22 CO -0.00 0.21 0.54 0.78 -0.57 0.00 0.00 179.45 180.40 3hf9 h GLY 23 N -0.88 0.37 1.42 3.86 0.00 -0.55 0.48 103.07 107.77 3hf9 h GLY 23 Ca -0.02 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 46.99 3hf9 h GLY 23 CO 0.04 0.01 -0.91 -2.22 0.00 0.00 0.00 176.54 173.46 3hf9 h ILE 24 N 0.19 1.35 0.00 2.60 2.04 -1.35 -3.01 117.51 119.33 3hf9 h ILE 24 Ca 0.38 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.96 3hf9 h ILE 24 Cb 1.22 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 3hf9 h ILE 24 CO -0.07 0.69 0.00 0.00 0.00 0.00 0.00 178.15 178.77 3hf9 n ALA 25 N -2.57 2.16 0.84 1.87 0.00 0.12 -1.82 120.51 121.11 3hf9 n ALA 25 Ca -0.07 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.35 3hf9 n ALA 25 Cb 0.81 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.19 1.43 -2.89 0.00 1.74 -0.96 -4.10 116.66 110.69 3hf9 n ARG 26 Ca 0.12 -0.80 -0.20 0.00 -0.77 0.00 0.00 57.85 56.20 3hf9 n ARG 26 Cb 0.13 -1.36 0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.22 4.15 0.52 7.54 0.00 -0.93 -4.90 121.76 125.92 3hf9 s ALA 27 Ca 0.15 -1.44 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 3hf9 s ALA 27 Cb 0.15 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 3hf9 s ALA 27 CO 0.51 -0.47 1.24 0.15 0.00 0.00 0.00 175.76 177.19 3hf9 s LYS 28 N -4.53 3.38 0.41 0.00 -0.14 -1.26 -1.78 119.74 115.81 3hf9 s LYS 28 Ca 0.54 1.93 -0.14 0.00 -1.36 0.00 0.00 55.97 56.95 3hf9 s LYS 28 Cb -0.10 -2.25 -0.08 0.00 -1.68 0.00 0.00 37.83 33.72 3hf9 s LYS 28 CO 0.36 -0.91 0.82 -1.12 -0.76 0.00 0.00 175.35 173.74 3hf9 s SER 29 N -1.28 6.66 0.02 2.83 0.01 -1.26 -4.36 113.70 116.31 3hf9 s SER 29 Ca 0.69 1.32 0.01 0.00 1.31 0.00 0.00 55.95 59.29 3hf9 s SER 29 Cb -0.33 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 3hf9 s SER 29 CO 0.38 -0.38 -0.05 -0.69 0.41 0.00 0.00 173.24 172.92 3hf9 s VAL 30 N -2.29 0.29 -0.01 3.43 1.01 0.19 -2.39 120.40 120.63 3hf9 s VAL 30 Ca 0.55 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3hf9 s VAL 30 Cb -0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 3hf9 s VAL 30 CO 0.25 -0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.33 3hf9 s VAL 31 N -0.98 0.42 -0.07 2.92 1.01 0.35 -1.37 120.40 122.68 3hf9 s VAL 31 Ca -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hf9 s VAL 31 Cb -0.07 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 35.96 3hf9 s VAL 31 CO -0.00 0.13 -0.03 0.00 0.00 0.00 0.00 175.10 175.20 3hf9 s ALA 32 N -0.02 0.80 0.01 5.51 0.00 -0.69 -0.59 121.76 126.77 3hf9 s ALA 32 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3hf9 s ALA 32 Cb -0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 3hf9 s ALA 32 CO -0.00 -0.32 -0.02 -0.48 0.00 0.00 0.00 175.76 174.94 3hf9 s LEU 33 N 1.62 2.11 0.41 0.00 2.34 -0.60 -0.17 118.68 124.39 3hf9 s LEU 33 Ca 0.00 -0.22 -0.24 0.00 0.06 0.00 0.00 54.13 53.73 3hf9 s LEU 33 Cb -0.13 0.03 -0.08 0.00 -0.56 0.00 0.00 46.19 45.44 3hf9 s LEU 33 CO -0.04 -0.13 1.10 0.00 -1.06 0.00 0.00 176.35 176.23 3hf9 s ALA 34 N -0.64 3.08 0.29 1.48 0.00 0.14 -1.56 121.76 124.55 3hf9 s ALA 34 Ca -0.07 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 3hf9 s ALA 34 Cb -0.04 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3hf9 s ALA 34 CO -0.00 -0.39 0.43 1.52 0.00 0.00 0.00 175.76 177.32 3hf9 s TYR 35 N -1.56 0.81 0.21 0.00 -0.85 -0.98 -4.64 117.35 110.34 3hf9 s TYR 35 Ca 0.59 -1.09 -0.10 0.00 -0.52 0.00 0.00 57.07 55.95 3hf9 s TYR 35 Cb -0.26 -0.04 0.17 0.00 0.38 0.00 0.00 41.96 42.21 3hf9 s TYR 35 CO 0.32 -1.02 1.89 0.00 -1.52 0.00 0.00 175.55 175.22 3hf9 h ALA 36 N 2.24 0.99 -0.57 9.51 0.00 -1.76 -2.78 119.26 126.88 3hf9 h ALA 36 Ca -0.29 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3hf9 h ALA 36 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hf9 h ALA 36 CO 0.40 0.41 0.14 0.78 0.00 0.00 0.00 179.25 180.97 3hf9 h GLY 37 N 1.06 0.99 0.00 0.00 0.00 -1.95 -3.48 103.07 99.69 3hf9 h GLY 37 Ca 0.29 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3hf9 h GLY 37 CO -0.06 0.58 0.00 0.61 0.00 0.00 0.00 176.54 177.67 3hf9 n GLY 38 N -0.63 -0.69 3.77 4.60 0.00 -1.05 -1.55 105.19 109.64 3hf9 n GLY 38 Ca 0.03 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.93 3.13 -0.05 1.61 1.01 -1.22 -2.31 120.40 119.64 3hf9 s VAL 39 Ca 0.00 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3hf9 s VAL 39 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 3hf9 s VAL 39 CO 0.00 0.01 -0.19 -0.22 0.00 0.00 0.00 175.10 174.69 3hf9 s LEU 40 N -2.91 1.96 -0.14 3.92 2.96 -0.60 -0.71 118.68 123.16 3hf9 s LEU 40 Ca 0.62 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3hf9 s LEU 40 Cb -0.29 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 3hf9 s LEU 40 CO 0.35 0.17 -0.16 -0.36 -1.32 0.00 0.00 176.35 175.04 3hf9 s PHE 41 N 0.01 2.75 -0.06 5.38 0.08 0.29 -1.55 117.98 124.89 3hf9 s PHE 41 Ca -0.05 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.05 3hf9 s PHE 41 Cb -0.12 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.51 3hf9 s PHE 41 CO 0.03 -0.40 0.02 0.08 -0.10 0.00 0.00 175.22 174.85 3hf9 s VAL 42 N 0.62 0.20 -0.00 -0.44 1.01 0.24 -1.93 120.40 120.09 3hf9 s VAL 42 Ca -0.09 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3hf9 s VAL 42 Cb -0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 3hf9 s VAL 42 CO 0.03 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.25 3hf9 s ALA 43 N 1.99 0.86 -0.04 5.51 0.00 -0.75 -0.49 121.76 128.84 3hf9 s ALA 43 Ca 0.04 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3hf9 s ALA 43 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3hf9 s ALA 43 CO -0.04 0.20 1.23 -1.83 0.00 0.00 0.00 175.76 175.31 3hf9 s GLU 44 N -0.39 4.35 -0.27 0.00 -1.05 -1.00 -1.37 118.70 118.96 3hf9 s GLU 44 Ca 0.03 1.72 -0.01 0.00 -0.15 0.00 0.00 54.97 56.56 3hf9 s GLU 44 Cb -0.05 -3.54 0.16 0.00 -0.44 0.00 0.00 34.13 30.26 3hf9 s GLU 44 CO -0.00 -0.45 0.46 1.21 0.95 0.00 0.00 175.26 177.43 3hf9 s ASN 45 N 1.49 -0.33 0.05 0.83 3.84 -0.34 -4.66 114.94 115.83 3hf9 s ASN 45 Ca 0.57 0.34 -0.34 0.00 0.21 0.00 0.00 52.86 53.65 3hf9 s ASN 45 Cb -0.26 1.48 -0.19 0.00 -0.55 0.00 0.00 41.25 41.73 3hf9 s ASN 45 CO 0.23 -0.29 1.49 -0.65 -2.79 0.00 0.00 177.10 175.09 3hf9 h PRO 46 N 8.12 -1.18 -6.49 0.43 0.11 -1.90 -3.32 132.00 127.77 3hf9 h PRO 46 Ca -0.18 0.08 -0.60 0.00 0.11 0.00 0.00 66.00 65.41 3hf9 h PRO 46 Cb 1.15 0.27 0.13 0.00 0.11 0.00 0.00 31.00 32.66 3hf9 h PRO 46 CO 0.26 -0.79 -0.01 0.45 -0.21 0.00 0.00 178.00 177.71 3hf9 n SER 47 N -5.33 0.66 -0.47 -2.05 2.88 -1.26 -4.82 113.62 103.23 3hf9 n SER 47 Ca -0.15 1.05 0.10 0.00 -1.33 0.00 0.00 58.87 58.54 3hf9 n SER 47 Cb 0.48 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 0.45 1.48 -0.00 -1.46 1.85 -1.26 -4.46 116.66 113.26 3hf9 n ARG 48 Ca 0.10 -0.99 0.01 0.00 -1.00 0.00 0.00 57.85 55.97 3hf9 n ARG 48 Cb 0.37 -1.38 -0.01 0.00 -1.05 0.00 0.00 32.46 30.38 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 0.05 3.75 -4.58 2.89 3.41 -1.26 -5.00 113.62 112.88 3hf9 n SER 49 Ca 0.08 -0.10 -0.35 0.00 -0.26 0.00 0.00 58.87 58.24 3hf9 n SER 49 Cb 0.42 1.06 -0.11 0.00 -0.26 0.00 0.00 64.21 65.32 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 -2.91 3.74 -0.04 1.04 1.43 -1.26 -5.09 118.68 115.59 3hf9 s LEU 50 Ca -0.00 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3hf9 s LEU 50 Cb 0.01 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3hf9 s LEU 50 CO 0.07 0.09 -0.24 -1.10 0.23 0.00 0.00 176.35 175.39 3hf9 s GLN 51 N 0.89 2.39 0.00 1.70 -0.21 -1.26 -4.81 119.66 118.36 3hf9 s GLN 51 Ca 0.04 -0.89 0.16 0.00 0.02 0.00 0.00 55.36 54.68 3hf9 s GLN 51 Cb -0.14 -2.14 -0.11 0.00 1.00 0.00 0.00 33.01 31.62 3hf9 s GLN 51 CO 0.03 0.47 0.73 1.63 -2.12 0.00 0.00 175.29 176.02 3hf9 n LYS 52 N 2.71 1.83 -4.82 2.91 5.02 -1.26 -4.95 118.16 119.60 3hf9 n LYS 52 Ca -0.17 -0.29 -0.25 0.00 -2.02 0.00 0.00 58.31 55.58 3hf9 n LYS 52 Cb 0.52 -1.24 -0.15 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.26 1.48 0.09 -0.18 1.01 -1.26 -1.14 121.20 118.95 3hf9 s ILE 53 Ca 0.09 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 3hf9 s ILE 53 Cb 0.12 -1.25 0.07 0.00 0.01 0.00 0.00 42.46 41.41 3hf9 s ILE 53 CO 0.55 0.36 0.61 -0.55 0.00 0.00 0.00 174.94 175.91 3hf9 s SER 54 N -0.60 -0.57 0.50 3.58 0.15 0.95 -5.00 113.70 112.70 3hf9 s SER 54 Ca 0.07 0.20 -0.20 0.00 0.70 0.00 0.00 55.95 56.72 3hf9 s SER 54 Cb -0.07 0.57 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 3hf9 s SER 54 CO -0.00 -0.85 1.08 -0.70 1.20 0.00 0.00 173.24 173.97 3hf9 s GLU 55 N -2.94 3.65 0.07 5.44 2.12 -1.26 -0.54 118.70 125.24 3hf9 s GLU 55 Ca -0.03 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 56.77 3hf9 s GLU 55 Cb -0.01 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 3hf9 s GLU 55 CO -0.06 -0.58 -0.04 1.28 -0.54 0.00 0.00 175.26 175.32 3hf9 n LEU 56 N -1.02 1.19 0.00 2.70 4.77 -0.56 -4.81 117.00 119.28 3hf9 n LEU 56 Ca 0.10 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3hf9 n LEU 56 Cb 0.52 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3hf9 n LEU 56 CO 0.41 -0.70 -0.06 0.00 -1.33 0.00 0.00 177.39 175.72 3hf9 n TYR 57 N -3.59 -0.40 -0.20 -1.77 9.36 -0.90 -4.73 117.16 114.92 3hf9 n TYR 57 Ca -0.02 -1.59 -0.05 0.00 3.32 0.00 0.00 57.90 59.57 3hf9 n TYR 57 Cb 0.06 0.15 -0.05 0.00 -0.63 0.00 0.00 39.34 38.87 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3hf9 n ASP 58 N -2.21 -0.50 -0.86 2.98 8.00 -1.26 -2.52 116.55 120.19 3hf9 n ASP 58 Ca 0.04 1.27 0.10 0.00 0.71 0.00 0.00 54.79 56.90 3hf9 n ASP 58 Cb 0.34 -0.32 0.13 0.00 -0.02 0.00 0.00 41.12 41.25 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 -4.06 1.98 -5.24 -1.24 5.12 -1.26 -1.94 116.66 110.02 3hf9 n ARG 59 Ca 0.01 -1.87 -0.32 0.00 -1.93 0.00 0.00 57.85 53.74 3hf9 n ARG 59 Cb 0.12 -1.39 -0.17 0.00 -1.16 0.00 0.00 32.46 29.86 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 -1.42 2.07 0.54 1.55 0.11 -1.05 -1.88 120.40 120.32 3hf9 s VAL 60 Ca 0.27 -1.04 0.05 0.00 -2.93 0.00 0.00 61.98 58.33 3hf9 s VAL 60 Cb 0.17 -1.77 0.03 0.00 -1.53 0.00 0.00 36.38 33.29 3hf9 s VAL 60 CO 0.25 0.57 0.33 -0.83 -3.33 0.00 0.00 175.10 172.09 3hf9 s GLY 61 N 0.08 2.49 -0.14 6.54 0.00 -0.25 -1.49 107.32 114.54 3hf9 s GLY 61 Ca -0.11 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 43.42 3hf9 s GLY 61 CO 0.06 -1.99 0.35 -0.12 0.00 0.00 0.00 173.10 171.41 3hf9 s PHE 62 N -2.79 -0.46 0.01 1.90 2.19 0.30 -1.83 117.98 117.29 3hf9 s PHE 62 Ca 0.29 1.05 0.00 0.00 0.33 0.00 0.00 56.93 58.60 3hf9 s PHE 62 Cb -0.02 0.17 -0.01 0.00 -1.31 0.00 0.00 43.02 41.86 3hf9 s PHE 62 CO 0.18 -0.26 -0.01 0.00 1.83 0.00 0.00 175.22 176.96 3hf9 s ALA 63 N 0.88 0.05 0.05 11.12 0.00 0.17 -0.04 121.76 134.00 3hf9 s ALA 63 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3hf9 s ALA 63 Cb -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3hf9 s ALA 63 CO -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 175.76 175.62 3hf9 s ALA 64 N -0.38 0.52 0.08 0.00 0.00 -0.29 0.90 121.76 122.59 3hf9 s ALA 64 Ca -0.04 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.93 3hf9 s ALA 64 Cb -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3hf9 s ALA 64 CO -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 175.76 175.34 3hf9 s ALA 65 N -3.02 1.36 0.00 0.00 0.00 -0.37 -4.82 121.76 114.91 3hf9 s ALA 65 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3hf9 s ALA 65 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3hf9 s ALA 65 CO -0.06 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.32 3hf9 n GLY 66 N 1.17 0.36 3.66 0.00 0.00 -1.26 -1.15 105.19 107.97 3hf9 n GLY 66 Ca -0.20 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.89 4.26 0.05 1.61 2.20 -0.77 -4.90 119.74 121.31 3hf9 s LYS 67 Ca 0.00 1.26 -0.25 0.00 -0.36 0.00 0.00 55.97 56.62 3hf9 s LYS 67 Cb 0.00 -3.63 -0.13 0.00 -1.51 0.00 0.00 37.83 32.56 3hf9 s LYS 67 CO 0.00 -0.56 1.39 0.35 -0.36 0.00 0.00 175.35 176.16 3hf9 h PHE 68 N 7.46 -0.94 -1.66 4.03 3.57 -1.96 -2.09 116.94 125.35 3hf9 h PHE 68 Ca -0.21 -0.00 0.50 0.00 3.53 0.00 0.00 57.97 61.79 3hf9 h PHE 68 Cb 1.08 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 40.08 3hf9 h PHE 68 CO 0.75 -0.49 1.16 -2.95 -2.23 0.00 0.00 178.31 174.55 3hf9 h ASN 69 N -0.77 0.08 0.00 0.41 -1.07 -1.99 0.19 115.58 112.44 3hf9 h ASN 69 Ca -0.06 0.05 -0.01 0.00 0.07 0.00 0.00 56.30 56.35 3hf9 h ASN 69 Cb 0.64 0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 36.94 3hf9 h ASN 69 CO 0.02 -0.07 -0.10 -0.33 0.07 0.00 0.00 177.43 177.01 3hf9 h GLU 70 N 0.02 0.00 -0.00 4.14 5.08 -1.83 -2.98 114.58 119.01 3hf9 h GLU 70 Ca 0.86 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 59.15 3hf9 h GLU 70 Cb 3.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.44 3hf9 h GLU 70 CO -0.16 0.48 -0.36 0.27 -1.00 0.00 0.00 179.01 178.24 3hf9 h PHE 71 N -1.00 0.00 0.67 4.33 -5.15 -0.73 -2.47 116.94 112.59 3hf9 h PHE 71 Ca -0.02 -0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.72 3hf9 h PHE 71 Cb 0.53 -0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.70 3hf9 h PHE 71 CO 0.11 0.36 -0.32 0.22 -2.00 0.00 0.00 178.31 176.68 3hf9 h ASP 72 N 0.00 -0.77 -0.71 -0.68 3.58 -0.78 -0.79 116.42 116.28 3hf9 h ASP 72 Ca -0.00 -0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.58 3hf9 h ASP 72 Cb 0.63 0.20 -0.13 0.00 1.72 0.00 0.00 39.33 41.75 3hf9 h ASP 72 CO 0.05 -0.47 -0.18 -3.20 -2.88 0.00 0.00 179.24 172.56 3hf9 n ASN 73 N -5.43 -0.25 -0.25 2.28 5.15 -1.13 -0.08 115.26 115.55 3hf9 n ASN 73 Ca -0.13 1.22 -0.06 0.00 -0.60 0.00 0.00 54.58 55.01 3hf9 n ASN 73 Cb 0.38 -0.37 0.05 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.88 -0.98 1.20 3.38 -0.97 -2.19 115.31 116.63 3hf9 h LEU 74 Ca 0.34 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3hf9 h LEU 74 Cb 0.52 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3hf9 h LEU 74 CO -0.73 0.73 0.62 -0.09 0.09 0.00 0.00 178.44 179.06 3hf9 h ARG 75 N 0.96 1.07 -0.07 1.13 2.43 0.99 0.80 114.38 121.69 3hf9 h ARG 75 Ca 0.24 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3hf9 h ARG 75 Cb 0.05 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3hf9 h ARG 75 CO -0.04 0.71 -0.06 0.00 -1.51 0.00 0.00 179.97 179.07 3hf9 h ARG 76 N 1.10 0.16 -0.62 0.20 3.08 -0.96 -1.81 114.38 115.55 3hf9 h ARG 76 Ca 0.44 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.49 3hf9 h ARG 76 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3hf9 h ARG 76 CO -0.19 0.60 0.41 0.78 -1.07 0.00 0.00 179.97 180.50 3hf9 h GLY 77 N -0.27 0.67 0.75 0.04 0.00 -1.11 0.67 103.07 103.83 3hf9 h GLY 77 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3hf9 h GLY 77 CO 0.02 0.13 -0.18 -1.33 0.00 0.00 0.00 176.54 175.18 3hf9 h GLY 78 N 0.50 -0.53 0.08 4.60 0.00 -0.47 -0.78 103.07 106.46 3hf9 h GLY 78 Ca 0.28 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.88 3hf9 h GLY 78 CO -0.08 -0.19 -0.22 -2.22 0.00 0.00 0.00 176.54 173.82 3hf9 h ILE 79 N -0.76 0.40 -0.60 2.60 2.04 -0.97 0.15 117.51 120.37 3hf9 h ILE 79 Ca -0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.89 3hf9 h ILE 79 Cb 0.52 0.40 -0.11 0.00 -0.74 0.00 0.00 36.82 36.90 3hf9 h ILE 79 CO 0.09 0.00 -0.46 1.56 0.00 0.00 0.00 178.15 179.34 3hf9 h GLN 80 N -0.18 -0.22 0.36 2.37 1.08 -0.82 -0.28 115.11 117.44 3hf9 h GLN 80 Ca 0.17 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 3hf9 h GLN 80 Cb 0.44 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3hf9 h GLN 80 CO -0.44 -0.14 -0.17 0.35 -0.95 0.00 0.00 178.83 177.47 3hf9 h PHE 81 N -0.22 -0.45 -0.21 2.96 3.57 -0.44 -2.42 116.94 119.73 3hf9 h PHE 81 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3hf9 h PHE 81 Cb 0.56 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 3hf9 h PHE 81 CO -0.74 -0.27 -0.34 0.00 -2.23 0.00 0.00 178.31 174.73 3hf9 h ALA 82 N 0.12 -0.37 -0.80 2.41 0.00 -0.51 -1.19 119.26 118.92 3hf9 h ALA 82 Ca -0.05 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hf9 h ALA 82 Cb 0.39 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3hf9 h ALA 82 CO 0.08 -0.81 0.51 -0.44 0.00 0.00 0.00 179.25 178.60 3hf9 h ASP 83 N -0.37 0.85 -0.15 0.00 3.32 -0.99 -0.79 116.42 118.29 3hf9 h ASP 83 Ca 0.11 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3hf9 h ASP 83 Cb 0.56 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3hf9 h ASP 83 CO -0.42 0.59 -0.02 0.74 -1.72 0.00 0.00 179.24 178.42 3hf9 h THR 84 N 1.01 0.87 -0.36 0.35 2.02 -1.05 -1.98 112.91 113.78 3hf9 h THR 84 Ca 0.32 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.52 3hf9 h THR 84 Cb -0.00 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3hf9 h THR 84 CO -0.11 0.01 0.16 0.03 0.37 0.00 0.00 175.52 175.97 3hf9 h ARG 85 N 0.03 0.32 -0.67 6.66 2.47 -0.42 -0.44 114.38 122.33 3hf9 h ARG 85 Ca 0.07 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.90 3hf9 h ARG 85 Cb 0.10 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 3hf9 h ARG 85 CO -0.14 0.21 0.45 0.78 0.56 0.00 0.00 179.97 181.84 3hf9 h GLY 86 N 0.33 0.62 1.26 0.04 0.00 -1.00 0.11 103.07 104.43 3hf9 h GLY 86 Ca 0.15 -0.17 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 3hf9 h GLY 86 CO -0.13 0.08 -1.49 -1.82 0.00 0.00 0.00 176.54 173.18 3hf9 h TYR 87 N 0.41 0.99 0.00 5.60 3.20 -0.69 -3.33 116.97 123.15 3hf9 h TYR 87 Ca 0.32 -0.72 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3hf9 h TYR 87 Cb 0.70 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3hf9 h TYR 87 CO -0.00 1.57 -0.18 0.00 -1.64 0.00 0.00 178.16 177.91 3hf9 n ALA 88 N -2.72 2.75 -2.00 1.82 0.00 -0.23 -4.80 120.51 115.32 3hf9 n ALA 88 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3hf9 n ALA 88 Cb 1.11 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.53 0.00 -4.35 0.00 4.01 0.31 -5.06 117.16 110.53 3hf9 n TYR 89 Ca 0.06 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.62 3hf9 n TYR 89 Cb 0.34 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.27 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 2.18 0.32 7.72 3.84 -1.25 -4.98 116.67 125.50 3hf9 s ASP 90 Ca 0.00 -1.18 0.25 0.00 -0.00 0.00 0.00 52.55 51.63 3hf9 s ASP 90 Cb 0.00 -0.06 1.12 0.00 -1.38 0.00 0.00 42.92 42.60 3hf9 s ASP 90 CO 0.00 -0.42 1.76 0.03 -0.00 0.00 0.00 175.17 176.55 3hf9 h ARG 91 N 2.45 0.00 -0.10 2.11 3.08 -1.90 -2.97 114.38 117.05 3hf9 h ARG 91 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3hf9 h ARG 91 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3hf9 h ARG 91 CO 0.65 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.09 3hf9 n ARG 92 N -2.39 1.86 0.20 0.04 1.74 -1.26 -3.46 116.66 113.40 3hf9 n ARG 92 Ca 0.01 -1.27 0.08 0.00 -0.77 0.00 0.00 57.85 55.90 3hf9 n ARG 92 Cb 0.20 -1.45 0.29 0.00 -1.02 0.00 0.00 32.46 30.48 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 2.86 0.00 -3.14 0.55 3.58 -1.89 -3.43 116.42 114.95 3hf9 h ASP 93 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 3hf9 h ASP 93 Cb 0.62 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.60 3hf9 h ASP 93 CO 0.00 0.28 0.74 -0.69 -2.88 0.00 0.00 179.24 176.69 3hf9 s VAL 94 N -3.37 4.70 0.08 2.25 1.01 -1.22 -4.94 120.40 118.90 3hf9 s VAL 94 Ca 0.03 1.92 0.02 0.00 0.00 0.00 0.00 61.98 63.94 3hf9 s VAL 94 Cb 0.09 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3hf9 s VAL 94 CO 0.67 -0.18 -0.07 0.42 0.00 0.00 0.00 175.10 175.94 3hf9 s THR 95 N 3.17 0.68 0.07 3.92 -4.23 -1.26 -4.95 115.64 113.04 3hf9 s THR 95 Ca 0.42 -1.71 -0.24 0.00 -1.18 0.00 0.00 61.69 58.99 3hf9 s THR 95 Cb -0.15 -1.40 -0.16 0.00 1.34 0.00 0.00 72.50 72.13 3hf9 s THR 95 CO 0.07 -0.73 1.65 1.23 -0.54 0.00 0.00 174.62 176.30 3hf9 h GLY 96 N 3.38 -0.01 -0.97 3.99 0.00 -1.94 -2.29 103.07 105.22 3hf9 h GLY 96 Ca -0.36 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.12 3hf9 h GLY 96 CO 0.58 -0.00 -0.41 -0.09 0.00 0.00 0.00 176.54 176.62 3hf9 h ARG 97 N -0.11 -0.01 0.58 4.80 1.12 -1.95 -1.14 114.38 117.68 3hf9 h ARG 97 Ca -0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 3hf9 h ARG 97 Cb 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.07 3hf9 h ARG 97 CO 0.00 -0.01 -0.28 0.37 -3.11 0.00 0.00 179.97 176.95 3hf9 h GLN 98 N -0.01 -0.75 -0.84 0.20 4.15 -1.82 -2.40 115.11 113.64 3hf9 h GLN 98 Ca 0.32 0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.83 3hf9 h GLN 98 Cb 0.58 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 3hf9 h GLN 98 CO -0.97 -0.48 0.54 -0.07 -1.93 0.00 0.00 178.83 175.91 3hf9 h LEU 99 N -0.83 0.88 -0.26 -2.39 3.38 -1.00 -1.28 115.31 113.80 3hf9 h LEU 99 Ca -0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hf9 h LEU 99 Cb 0.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3hf9 h LEU 99 CO 0.13 0.60 0.07 0.00 0.09 0.00 0.00 178.44 179.33 3hf9 h ALA 100 N 1.36 0.29 -0.68 1.53 0.00 -1.20 0.46 119.26 121.03 3hf9 h ALA 100 Ca 0.34 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.44 3hf9 h ALA 100 Cb 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 3hf9 h ALA 100 CO -0.13 -0.34 0.05 -0.97 0.00 0.00 0.00 179.25 177.87 3hf9 h ASN 101 N 0.19 -0.21 -0.20 0.00 -0.73 -0.80 0.32 115.58 114.15 3hf9 h ASN 101 Ca 0.12 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.43 3hf9 h ASN 101 Cb 0.10 0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 3hf9 h ASN 101 CO -0.14 -0.11 0.05 0.58 -0.37 0.00 0.00 177.43 177.45 3hf9 h VAL 102 N 0.16 1.20 -0.82 2.57 2.07 -0.45 -1.51 116.25 119.47 3hf9 h VAL 102 Ca 0.37 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3hf9 h VAL 102 Cb 0.62 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3hf9 h VAL 102 CO -0.55 0.20 0.54 1.88 0.02 0.00 0.00 177.57 179.66 3hf9 h TYR 103 N 0.15 0.98 0.18 1.57 0.05 -0.11 -1.46 116.97 118.33 3hf9 h TYR 103 Ca 0.06 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3hf9 h TYR 103 Cb 0.26 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 3hf9 h TYR 103 CO 0.01 0.58 -0.10 0.00 -1.05 0.00 0.00 178.16 177.60 3hf9 h ALA 104 N 1.52 -0.25 0.00 3.88 0.00 0.18 -0.65 119.26 123.94 3hf9 h ALA 104 Ca 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hf9 h ALA 104 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hf9 h ALA 104 CO -0.09 -0.65 -0.14 1.96 0.00 0.00 0.00 179.25 180.33 3hf9 h GLN 105 N -0.26 0.00 0.02 0.00 4.20 -0.84 0.19 115.11 118.42 3hf9 h GLN 105 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hf9 h GLN 105 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3hf9 h GLN 105 CO 0.03 0.14 -0.01 1.15 -0.67 0.00 0.00 178.83 179.47 3hf9 h THR 106 N 0.00 1.32 -0.68 -0.54 2.02 -0.88 -2.25 112.91 111.90 3hf9 h THR 106 Ca -0.00 -1.84 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 3hf9 h THR 106 Cb 0.39 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 3hf9 h THR 106 CO 0.02 0.42 0.32 -0.07 0.37 0.00 0.00 175.52 176.58 3hf9 h LEU 107 N -0.94 0.87 -0.45 2.58 3.38 -0.98 -0.19 115.31 119.58 3hf9 h LEU 107 Ca -0.00 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3hf9 h LEU 107 Cb 0.72 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3hf9 h LEU 107 CO 0.00 0.74 0.26 1.23 0.09 0.00 0.00 178.44 180.76 3hf9 h GLY 108 N 1.03 0.63 0.86 0.83 0.00 -0.70 -0.66 103.07 105.07 3hf9 h GLY 108 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3hf9 h GLY 108 CO -0.03 0.16 -0.10 -0.84 0.00 0.00 0.00 176.54 175.73 3hf9 h THR 109 N 0.52 0.85 -0.58 4.70 2.02 -0.88 -2.80 112.91 116.74 3hf9 h THR 109 Ca 0.18 -0.29 0.11 0.00 0.77 0.00 0.00 66.41 67.19 3hf9 h THR 109 Cb 0.03 1.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.37 3hf9 h THR 109 CO -0.09 0.07 0.09 0.40 0.37 0.00 0.00 175.52 176.36 3hf9 h ILE 110 N -0.42 0.62 0.00 3.11 2.04 -0.90 0.33 117.51 122.29 3hf9 h ILE 110 Ca -0.03 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3hf9 h ILE 110 Cb 0.32 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3hf9 h ILE 110 CO 0.05 0.04 -0.07 0.15 0.00 0.00 0.00 178.15 178.32 3hf9 h PHE 111 N 0.22 0.00 0.00 1.37 3.57 -1.06 -1.39 116.94 119.65 3hf9 h PHE 111 Ca 0.30 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.61 3hf9 h PHE 111 Cb 0.46 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3hf9 h PHE 111 CO -0.27 0.07 -1.14 1.15 -2.23 0.00 0.00 178.31 175.89 3hf9 h THR 112 N 0.00 0.76 0.00 4.41 2.02 -0.89 -3.44 112.91 115.77 3hf9 h THR 112 Ca -0.00 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.19 3hf9 h THR 112 Cb 0.14 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3hf9 h THR 112 CO 0.01 0.26 -1.23 -0.62 0.37 0.00 0.00 175.52 174.31 3hf9 n GLU 113 N -4.46 1.29 -2.42 6.66 1.02 0.10 -4.98 120.64 117.85 3hf9 n GLU 113 Ca -0.28 -0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 56.54 3hf9 n GLU 113 Cb 0.61 -1.25 0.09 0.00 -0.02 0.00 0.00 31.44 30.87 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 -2.68 1.93 0.08 3.49 -0.21 -0.54 -5.02 119.66 116.71 3hf9 s GLN 114 Ca -0.01 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 54.50 3hf9 s GLN 114 Cb 0.09 -2.27 -0.14 0.00 1.00 0.00 0.00 33.01 31.69 3hf9 s GLN 114 CO 0.57 -1.31 1.32 0.00 -2.12 0.00 0.00 175.29 173.75 3hf9 h ALA 115 N -0.52 0.31 -3.97 6.09 0.00 -1.94 -3.44 119.26 115.79 3hf9 h ALA 115 Ca -0.41 -0.49 -0.49 0.00 0.00 0.00 0.00 54.91 53.52 3hf9 h ALA 115 Cb 1.29 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.73 3hf9 h ALA 115 CO 0.49 0.47 -0.81 0.21 0.00 0.00 0.00 179.25 179.60 3hf9 s LYS 116 N -3.96 1.30 0.44 0.00 2.20 -1.26 -5.13 119.74 113.33 3hf9 s LYS 116 Ca -0.12 -0.47 -0.24 0.00 -0.36 0.00 0.00 55.97 54.77 3hf9 s LYS 116 Cb 0.07 -1.19 -0.08 0.00 -1.51 0.00 0.00 37.83 35.13 3hf9 s LYS 116 CO 0.85 0.22 1.23 -1.25 -0.36 0.00 0.00 175.35 176.04 3hf9 s PRO 117 N -0.03 3.80 0.07 4.03 0.04 -1.26 -4.86 135.00 136.79 3hf9 s PRO 117 Ca -0.00 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 3hf9 s PRO 117 Cb -0.09 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.83 3hf9 s PRO 117 CO 0.01 -0.57 1.48 0.71 0.04 0.00 0.00 177.00 178.67 3hf9 s TYR 118 N -1.40 2.89 -1.33 0.56 1.51 -1.26 -4.86 117.35 113.46 3hf9 s TYR 118 Ca 0.61 0.71 -0.13 0.00 -1.01 0.00 0.00 57.07 57.26 3hf9 s TYR 118 Cb -0.33 -3.78 0.11 0.00 -0.11 0.00 0.00 41.96 37.85 3hf9 s TYR 118 CO 0.42 -2.90 1.92 0.39 -1.11 0.00 0.00 175.55 174.27 3hf9 n GLU 119 N 4.83 3.27 -4.17 -0.62 1.02 -1.26 -4.68 120.64 119.03 3hf9 n GLU 119 Ca 0.13 -3.23 -0.11 0.00 -0.02 0.00 0.00 57.16 53.94 3hf9 n GLU 119 Cb 0.42 -3.14 -0.10 0.00 -0.02 0.00 0.00 31.44 28.60 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 1.98 0.09 -0.10 2.62 -7.23 -1.26 -1.84 120.40 114.65 3hf9 s VAL 120 Ca 0.44 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 3hf9 s VAL 120 Cb 0.09 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.90 3hf9 s VAL 120 CO -0.02 -0.33 0.21 -0.70 -0.31 0.00 0.00 175.10 173.95 3hf9 s GLU 121 N -4.08 0.09 0.11 4.82 2.12 -0.30 -3.32 118.70 118.14 3hf9 s GLU 121 Ca 0.29 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.29 3hf9 s GLU 121 Cb 0.07 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 3hf9 s GLU 121 CO 0.05 -0.29 0.11 -0.51 -0.54 0.00 0.00 175.26 174.08 3hf9 s LEU 122 N 2.27 3.83 -0.07 2.70 1.02 -0.25 -1.23 118.68 126.95 3hf9 s LEU 122 Ca 0.01 -0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.13 3hf9 s LEU 122 Cb -0.12 -2.49 0.02 0.00 0.02 0.00 0.00 46.19 43.63 3hf9 s LEU 122 CO -0.07 0.14 -0.06 0.00 0.02 0.00 0.00 176.35 176.38 3hf9 s VAL 124 N 1.23 3.28 -0.06 0.00 1.01 -0.76 -0.66 120.40 124.45 3hf9 s VAL 124 Ca -0.05 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3hf9 s VAL 124 Cb -0.14 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3hf9 s VAL 124 CO -0.02 0.47 -0.24 0.00 0.00 0.00 0.00 175.10 175.31 3hf9 s ALA 125 N 0.98 2.21 0.12 5.51 0.00 -0.76 -1.22 121.76 128.60 3hf9 s ALA 125 Ca -0.01 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.02 3hf9 s ALA 125 Cb -0.15 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3hf9 s ALA 125 CO -0.00 0.42 -0.25 -2.00 0.00 0.00 0.00 175.76 173.93 3hf9 s GLU 126 N -0.18 1.51 0.20 0.00 2.12 -0.23 -1.09 118.70 121.03 3hf9 s GLU 126 Ca -0.03 -1.30 0.05 0.00 0.36 0.00 0.00 54.97 54.05 3hf9 s GLU 126 Cb -0.14 -1.96 -0.05 0.00 0.26 0.00 0.00 34.13 32.25 3hf9 s GLU 126 CO 0.03 0.46 -0.06 0.54 -0.54 0.00 0.00 175.26 175.70 3hf9 s VAL 127 N -1.07 1.20 0.55 3.70 0.11 -0.79 -2.05 120.40 122.05 3hf9 s VAL 127 Ca 0.15 -2.07 -0.19 0.00 -2.93 0.00 0.00 61.98 56.94 3hf9 s VAL 127 Cb -0.10 -2.15 -0.06 0.00 -1.53 0.00 0.00 36.38 32.55 3hf9 s VAL 127 CO 0.07 -0.50 1.12 0.00 -3.33 0.00 0.00 175.10 172.46 3hf9 s ALA 128 N -3.31 2.69 0.76 1.54 0.00 -1.26 -4.87 121.76 117.30 3hf9 s ALA 128 Ca 0.24 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 3hf9 s ALA 128 Cb 0.04 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.86 3hf9 s ALA 128 CO 0.06 -0.79 1.12 -1.01 0.00 0.00 0.00 175.76 175.14 3hf9 s HIS 129 N -1.83 2.40 0.09 0.00 3.76 -1.26 -4.87 115.29 113.58 3hf9 s HIS 129 Ca 0.72 1.59 -0.19 0.00 -0.15 0.00 0.00 55.06 57.04 3hf9 s HIS 129 Cb -0.23 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 3hf9 s HIS 129 CO 0.28 -1.99 1.32 -0.92 -0.85 0.00 0.00 174.74 172.58 3hf9 h TYR 130 N -0.83 -1.12 0.28 1.40 3.20 -1.80 -2.68 116.97 115.43 3hf9 h TYR 130 Ca -0.45 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3hf9 h TYR 130 Cb 1.25 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 40.06 3hf9 h TYR 130 CO 0.55 -0.23 -0.29 0.78 -1.64 0.00 0.00 178.16 177.33 3hf9 h GLY 131 N -0.03 -0.64 -0.88 1.82 0.00 -1.91 -3.47 103.07 97.97 3hf9 h GLY 131 Ca 0.09 0.33 -0.43 0.00 0.00 0.00 0.00 47.33 47.31 3hf9 h GLY 131 CO -0.54 -0.25 0.36 -1.83 0.00 0.00 0.00 176.54 174.29 3hf9 s GLU 132 N -6.05 -0.02 -0.11 4.80 -1.05 -1.01 -5.08 118.70 110.18 3hf9 s GLU 132 Ca -0.16 -0.44 0.03 0.00 -0.15 0.00 0.00 54.97 54.25 3hf9 s GLU 132 Cb 0.06 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.99 3hf9 s GLU 132 CO 0.64 -2.86 -0.22 0.95 0.95 0.00 0.00 175.26 174.73 3hf9 s THR 133 N -3.75 1.93 0.11 1.83 -4.23 -1.26 -4.71 115.64 105.55 3hf9 s THR 133 Ca 0.75 -0.93 -0.25 0.00 -1.18 0.00 0.00 61.69 60.08 3hf9 s THR 133 Cb -0.04 -1.69 0.07 0.00 1.34 0.00 0.00 72.50 72.19 3hf9 s THR 133 CO 0.54 0.53 0.63 -0.75 -0.54 0.00 0.00 174.62 175.03 3hf9 s LYS 134 N 0.51 1.21 -0.26 3.99 2.20 -1.26 -5.07 119.74 121.06 3hf9 s LYS 134 Ca -0.15 -0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 3hf9 s LYS 134 Cb -0.17 0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 3hf9 s LYS 134 CO 0.06 -0.50 0.41 0.50 -0.36 0.00 0.00 175.35 175.45 3hf9 s ARG 135 N -3.16 4.05 0.16 4.03 3.52 -1.26 -4.65 118.95 121.65 3hf9 s ARG 135 Ca -0.01 0.12 -0.32 0.00 -0.13 0.00 0.00 55.73 55.39 3hf9 s ARG 135 Cb -0.01 -3.64 -0.17 0.00 -1.56 0.00 0.00 34.95 29.58 3hf9 s ARG 135 CO -0.08 -0.26 0.94 -2.30 -0.81 0.00 0.00 175.30 172.79 3hf9 n PRO 136 N 5.27 0.65 -4.47 5.12 -0.02 -1.26 -4.97 135.00 135.32 3hf9 n PRO 136 Ca -0.07 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.30 3hf9 n PRO 136 Cb 0.51 -1.57 -0.12 0.00 -0.02 0.00 0.00 33.50 32.29 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 -0.63 3.50 -0.01 -0.52 2.02 -0.87 -4.94 118.70 117.24 3hf9 s GLU 137 Ca 0.72 -0.54 0.06 0.00 0.02 0.00 0.00 54.97 55.24 3hf9 s GLU 137 Cb -0.93 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 3hf9 s GLU 137 CO 0.55 0.31 -0.21 -0.51 0.02 0.00 0.00 175.26 175.43 3hf9 s LEU 138 N 0.16 2.39 -0.04 1.80 1.02 -1.23 -1.07 118.68 121.71 3hf9 s LEU 138 Ca -0.02 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.78 3hf9 s LEU 138 Cb -0.14 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.63 3hf9 s LEU 138 CO 0.03 0.31 -0.14 -0.31 0.02 0.00 0.00 176.35 176.27 3hf9 s TYR 139 N -0.72 1.41 -0.26 0.29 1.51 -0.36 -2.88 117.35 116.35 3hf9 s TYR 139 Ca 0.11 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 3hf9 s TYR 139 Cb -0.10 -0.98 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 3hf9 s TYR 139 CO 0.01 -0.16 0.02 0.50 -1.11 0.00 0.00 175.55 174.82 3hf9 s ARG 140 N 0.17 3.26 -0.15 -0.62 3.52 -0.01 -1.83 118.95 123.29 3hf9 s ARG 140 Ca -0.05 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.78 3hf9 s ARG 140 Cb -0.11 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 3hf9 s ARG 140 CO 0.02 -0.31 0.02 0.42 -0.81 0.00 0.00 175.30 174.63 3hf9 s ILE 141 N 1.50 4.42 0.46 4.11 1.09 -0.56 -1.19 121.20 131.03 3hf9 s ILE 141 Ca 0.04 -0.17 0.07 0.00 -1.10 0.00 0.00 60.65 59.49 3hf9 s ILE 141 Cb -0.16 -2.95 -0.00 0.00 -1.06 0.00 0.00 42.46 38.29 3hf9 s ILE 141 CO 0.00 0.51 0.39 0.42 -0.10 0.00 0.00 174.94 176.16 3hf9 s THR 142 N 0.07 2.36 0.62 2.92 -4.23 -0.64 -1.10 115.64 115.65 3hf9 s THR 142 Ca 0.03 -1.38 0.26 0.00 -1.18 0.00 0.00 61.69 59.41 3hf9 s THR 142 Cb -0.13 -2.74 0.32 0.00 1.34 0.00 0.00 72.50 71.29 3hf9 s THR 142 CO 0.02 0.00 1.71 0.10 -0.54 0.00 0.00 174.62 175.90 3hf9 h TYR 143 N 0.94 0.00 -0.02 3.99 -0.00 -1.83 -1.10 116.97 118.96 3hf9 h TYR 143 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.33 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 0.63 0.00 -0.39 -0.40 -0.00 0.00 0.00 178.16 178.00 3hf9 n ASP 144 N -3.27 2.02 0.00 0.10 5.75 -1.26 -4.61 116.55 115.27 3hf9 n ASP 144 Ca 0.07 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 3hf9 n ASP 144 Cb 0.77 0.42 0.00 0.00 -1.03 0.00 0.00 41.12 41.28 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 1.33 0.25 3.73 6.12 0.00 -0.41 -4.00 105.19 112.21 3hf9 n GLY 145 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.41 6.55 -0.16 1.61 0.01 -1.26 -4.72 113.70 113.32 3hf9 s SER 146 Ca 0.00 2.70 0.01 0.00 1.31 0.00 0.00 55.95 59.97 3hf9 s SER 146 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.65 3hf9 s SER 146 CO 0.00 -0.82 -0.16 -0.51 0.41 0.00 0.00 173.24 172.17 3hf9 s ILE 147 N 0.68 1.71 0.17 1.44 2.07 -1.26 -1.61 121.20 124.40 3hf9 s ILE 147 Ca 0.67 -0.74 0.07 0.00 -1.41 0.00 0.00 60.65 59.24 3hf9 s ILE 147 Cb -0.44 -1.60 -0.04 0.00 0.13 0.00 0.00 42.46 40.51 3hf9 s ILE 147 CO 0.37 0.46 0.01 0.00 -1.91 0.00 0.00 174.94 173.87 3hf9 s ALA 148 N 1.43 3.23 -0.45 1.50 0.00 -0.33 -4.98 121.76 122.15 3hf9 s ALA 148 Ca 0.05 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.67 3hf9 s ALA 148 Cb -0.13 -1.02 0.14 0.00 0.00 0.00 0.00 23.12 22.11 3hf9 s ALA 148 CO -0.11 0.48 0.27 0.16 0.00 0.00 0.00 175.76 176.56 3hf9 s ASP 149 N -2.96 3.43 0.66 0.00 -4.77 -1.26 -0.83 116.67 110.95 3hf9 s ASP 149 Ca 0.28 -2.76 -0.11 0.00 -3.30 0.00 0.00 52.55 46.65 3hf9 s ASP 149 Cb -0.09 -0.96 -0.01 0.00 -1.09 0.00 0.00 42.92 40.76 3hf9 s ASP 149 CO 0.19 -0.24 1.05 -1.61 0.70 0.00 0.00 175.17 175.26 3hf9 s GLU 150 N 0.20 3.17 -0.09 2.11 2.02 -1.14 -4.92 118.70 120.05 3hf9 s GLU 150 Ca 0.20 0.92 0.17 0.00 0.02 0.00 0.00 54.97 56.28 3hf9 s GLU 150 Cb -0.19 -2.02 -0.26 0.00 0.10 0.00 0.00 34.13 31.76 3hf9 s GLU 150 CO -0.04 -0.92 0.26 -0.35 0.02 0.00 0.00 175.26 174.24 3hf9 n PRO 151 N -2.92 0.82 -0.02 0.39 -0.05 -1.26 -3.54 135.00 128.42 3hf9 n PRO 151 Ca 0.07 -0.10 -0.06 0.00 -0.05 0.00 0.00 63.50 63.36 3hf9 n PRO 151 Cb 0.54 -1.45 -0.02 0.00 -0.05 0.00 0.00 33.50 32.52 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 -2.36 0.00 -3.99 0.54 8.25 -1.26 -4.81 115.22 111.59 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 0.73 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.20 0.46 -0.01 4.41 -0.12 -1.26 -0.68 117.98 118.58 3hf9 s PHE 153 Ca -0.10 -0.82 0.01 0.00 -0.05 0.00 0.00 56.93 55.97 3hf9 s PHE 153 Cb 0.03 -0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.33 3hf9 s PHE 153 CO 0.13 -0.72 -0.02 0.08 -0.05 0.00 0.00 175.22 174.64 3hf9 s VAL 154 N -3.99 0.20 -0.04 -2.49 1.01 0.76 -4.82 120.40 111.04 3hf9 s VAL 154 Ca 0.19 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3hf9 s VAL 154 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 3hf9 s VAL 154 CO 0.01 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.34 3hf9 s VAL 155 N 0.21 1.38 0.02 2.92 1.01 -1.26 -1.70 120.40 122.98 3hf9 s VAL 155 Ca -0.02 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3hf9 s VAL 155 Cb -0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3hf9 s VAL 155 CO -0.01 0.40 -0.05 -0.04 0.00 0.00 0.00 175.10 175.41 3hf9 s MET 156 N -0.02 0.36 0.12 2.72 -1.94 -0.47 -4.99 119.30 115.08 3hf9 s MET 156 Ca -0.02 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 3hf9 s MET 156 Cb -0.11 -0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.64 3hf9 s MET 156 CO 0.02 0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3hf9 n GLY 157 N 1.86 -2.83 7.00 -0.03 0.00 -1.26 -0.64 105.19 109.29 3hf9 n GLY 157 Ca -0.21 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.32 1.44 3.45 -0.02 0.00 -0.74 -4.25 105.19 102.74 3hf9 n GLY 158 Ca -0.02 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 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 4.94 0.07 2.61 -4.23 -1.26 -4.49 115.64 113.29 3hf9 s THR 159 Ca 0.00 -0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 59.91 3hf9 s THR 159 Cb 0.00 -4.24 -0.29 0.00 1.34 0.00 0.00 72.50 69.31 3hf9 s THR 159 CO 0.00 -0.72 1.13 0.71 -0.54 0.00 0.00 174.62 175.20 3hf9 h THR 160 N 5.83 1.42 -0.29 3.99 1.35 -1.95 -3.38 112.91 119.89 3hf9 h THR 160 Ca -0.27 -2.85 0.06 0.00 -0.55 0.00 0.00 66.41 62.80 3hf9 h THR 160 Cb 1.10 2.87 -0.06 0.00 -1.73 0.00 0.00 68.15 70.33 3hf9 h THR 160 CO 0.93 0.84 -0.10 -0.33 -0.25 0.00 0.00 175.52 176.62 3hf9 h GLU 161 N 0.13 -0.03 -0.58 4.72 3.07 -1.96 0.20 114.58 120.13 3hf9 h GLU 161 Ca -0.16 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.84 3hf9 h GLU 161 Cb 1.96 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.84 3hf9 h GLU 161 CO 0.22 -0.02 0.40 -1.35 -1.40 0.00 0.00 179.01 176.86 3hf9 h PRO 162 N -0.04 0.17 0.15 2.33 0.11 -1.91 -0.07 132.00 132.74 3hf9 h PRO 162 Ca 0.14 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.91 3hf9 h PRO 162 Cb 0.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3hf9 h PRO 162 CO -0.32 0.11 -1.74 0.82 -0.21 0.00 0.00 178.00 176.67 3hf9 h ILE 163 N 0.17 0.86 -0.76 4.15 2.04 -1.40 -2.80 117.51 119.78 3hf9 h ILE 163 Ca 0.28 -2.43 -0.02 0.00 1.00 0.00 0.00 64.86 63.69 3hf9 h ILE 163 Cb 0.85 2.66 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 3hf9 h ILE 163 CO -0.04 0.82 0.40 0.00 0.00 0.00 0.00 178.15 179.33 3hf9 h ALA 164 N 0.04 0.98 -0.22 1.87 0.00 -0.19 -1.83 119.26 119.91 3hf9 h ALA 164 Ca -0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3hf9 h ALA 164 Cb 1.98 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3hf9 h ALA 164 CO 0.11 0.51 -0.03 -0.91 0.00 0.00 0.00 179.25 178.93 3hf9 h ASN 165 N 1.06 0.41 -0.85 0.00 2.35 -1.15 -0.32 115.58 117.07 3hf9 h ASN 165 Ca 0.26 -0.34 0.17 0.00 -0.55 0.00 0.00 56.30 55.84 3hf9 h ASN 165 Cb 0.07 -0.11 -0.10 0.00 0.05 0.00 0.00 38.32 38.22 3hf9 h ASN 165 CO -0.04 0.65 0.42 0.00 -1.65 0.00 0.00 177.43 176.81 3hf9 h ALA 166 N 0.77 1.30 -0.05 -0.83 0.00 -1.30 -2.22 119.26 116.93 3hf9 h ALA 166 Ca 0.06 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hf9 h ALA 166 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hf9 h ALA 166 CO 0.02 -0.16 -0.25 -0.07 0.00 0.00 0.00 179.25 178.79 3hf9 h LEU 167 N 0.55 0.30 -0.94 0.00 3.38 -1.17 -2.32 115.31 115.10 3hf9 h LEU 167 Ca 0.48 -0.66 0.28 0.00 0.09 0.00 0.00 57.88 58.08 3hf9 h LEU 167 Cb 0.76 -0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.25 3hf9 h LEU 167 CO -0.41 0.91 0.19 0.11 0.09 0.00 0.00 178.44 179.33 3hf9 h LYS 168 N -0.28 0.08 0.13 1.13 1.57 -0.44 0.31 116.57 119.07 3hf9 h LYS 168 Ca -0.02 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.42 3hf9 h LYS 168 Cb 0.90 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3hf9 h LYS 168 CO 0.05 0.05 -1.82 1.05 -0.57 0.00 0.00 179.45 178.22 3hf9 h GLU 169 N 0.09 0.26 -0.34 3.15 4.11 -1.57 -3.36 114.58 116.93 3hf9 h GLU 169 Ca 0.62 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3hf9 h GLU 169 Cb 1.34 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3hf9 h GLU 169 CO -0.79 1.14 0.00 -1.13 0.07 0.00 0.00 179.01 178.29 3hf9 n SER 170 N -3.45 1.95 -4.54 3.06 3.41 -0.67 -4.88 113.62 108.50 3hf9 n SER 170 Ca -0.26 -1.95 -0.42 0.00 -0.26 0.00 0.00 58.87 55.98 3hf9 n SER 170 Cb 1.06 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.55 3.12 -0.22 7.33 5.04 0.10 -4.95 117.35 126.23 3hf9 s TYR 171 Ca 0.26 0.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.90 3hf9 s TYR 171 Cb 0.14 -3.15 -0.02 0.00 0.35 0.00 0.00 41.96 39.28 3hf9 s TYR 171 CO 0.18 -0.71 -0.01 0.00 -1.34 0.00 0.00 175.55 173.67 3hf9 s ALA 172 N 2.62 2.94 0.50 3.97 0.00 -1.26 -5.02 121.76 125.51 3hf9 s ALA 172 Ca 0.21 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 3hf9 s ALA 172 Cb -0.15 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.12 3hf9 s ALA 172 CO 0.16 -0.35 1.16 -1.83 0.00 0.00 0.00 175.76 174.90 3hf9 s GLU 173 N 1.35 3.53 -1.55 0.00 -1.05 -1.26 -2.77 118.70 116.95 3hf9 s GLU 173 Ca 0.04 1.73 -0.05 0.00 -0.15 0.00 0.00 54.97 56.54 3hf9 s GLU 173 Cb -0.15 -2.21 0.01 0.00 -0.44 0.00 0.00 34.13 31.34 3hf9 s GLU 173 CO -0.00 -0.73 0.67 0.09 0.95 0.00 0.00 175.26 176.23 3hf9 n ASN 174 N -0.89 -6.18 -4.80 0.83 4.13 -1.26 -4.96 115.26 102.13 3hf9 n ASN 174 Ca 0.09 -0.31 -0.32 0.00 1.68 0.00 0.00 54.58 55.72 3hf9 n ASN 174 Cb 0.49 -4.98 0.03 0.00 -1.54 0.00 0.00 39.78 33.78 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 -3.20 2.68 0.55 5.41 0.00 -1.12 -4.47 121.76 121.62 3hf9 s ALA 175 Ca 0.33 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.41 3hf9 s ALA 175 Cb -0.15 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 3hf9 s ALA 175 CO 0.41 -1.00 1.20 -1.12 0.00 0.00 0.00 175.76 175.26 3hf9 s SER 176 N -3.06 5.53 0.21 0.00 0.01 -1.26 -3.03 113.70 112.09 3hf9 s SER 176 Ca 0.62 2.38 -0.10 0.00 1.31 0.00 0.00 55.95 60.17 3hf9 s SER 176 Cb -0.16 -2.60 0.15 0.00 0.21 0.00 0.00 66.02 63.62 3hf9 s SER 176 CO 0.43 -1.36 1.83 0.25 0.41 0.00 0.00 173.24 174.79 3hf9 h LEU 177 N 1.30 0.93 -0.97 2.44 5.85 -1.97 1.89 115.31 124.77 3hf9 h LEU 177 Ca -0.50 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 3hf9 h LEU 177 Cb 1.28 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3hf9 h LEU 177 CO 0.57 0.75 0.38 0.00 -0.34 0.00 0.00 178.44 179.80 3hf9 h THR 178 N 1.04 1.24 0.75 1.05 1.03 -1.91 0.15 112.91 116.26 3hf9 h THR 178 Ca 0.27 -0.67 -0.04 0.00 -0.01 0.00 0.00 66.41 65.96 3hf9 h THR 178 Cb 0.02 0.24 0.01 0.00 -1.07 0.00 0.00 68.15 67.35 3hf9 h THR 178 CO -0.04 0.29 -0.36 0.44 -0.01 0.00 0.00 175.52 175.83 3hf9 h ASP 179 N 1.10 -0.86 -0.93 0.00 3.32 -1.34 -2.77 116.42 114.95 3hf9 h ASP 179 Ca 0.27 0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.53 3hf9 h ASP 179 Cb 0.10 0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.80 3hf9 h ASP 179 CO -0.04 -0.50 0.60 0.00 -1.72 0.00 0.00 179.24 177.58 3hf9 h ALA 180 N -1.18 2.01 -0.72 3.45 0.00 0.30 -0.57 119.26 122.55 3hf9 h ALA 180 Ca -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hf9 h ALA 180 Cb 0.79 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3hf9 h ALA 180 CO 0.17 -0.31 0.29 1.25 0.00 0.00 0.00 179.25 180.65 3hf9 h LEU 181 N 0.55 0.99 0.09 0.00 5.85 -0.64 -1.53 115.31 120.61 3hf9 h LEU 181 Ca 0.49 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 3hf9 h LEU 181 Cb 1.02 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3hf9 h LEU 181 CO -0.23 0.89 -0.04 0.03 -0.34 0.00 0.00 178.44 178.75 3hf9 h ARG 182 N 1.03 -0.11 -0.91 1.25 3.08 -0.84 -1.94 114.38 115.94 3hf9 h ARG 182 Ca 0.24 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.53 3hf9 h ARG 182 Cb 0.20 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.15 3hf9 h ARG 182 CO -0.02 0.21 0.40 0.82 -1.07 0.00 0.00 179.97 180.32 3hf9 h ILE 183 N -0.44 0.45 0.16 2.04 2.04 -1.24 0.23 117.51 120.74 3hf9 h ILE 183 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hf9 h ILE 183 Cb 0.37 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3hf9 h ILE 183 CO 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 178.15 178.17 3hf9 h ALA 184 N 1.73 -0.21 -0.44 1.87 0.00 -1.20 -1.16 119.26 119.84 3hf9 h ALA 184 Ca 0.58 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3hf9 h ALA 184 Cb 1.12 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3hf9 h ALA 184 CO -0.54 -0.38 0.29 0.28 0.00 0.00 0.00 179.25 178.90 3hf9 h VAL 185 N -0.67 1.09 0.80 0.00 2.07 -0.55 0.11 116.25 119.09 3hf9 h VAL 185 Ca -0.02 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3hf9 h VAL 185 Cb 0.49 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3hf9 h VAL 185 CO 0.04 0.10 -0.38 0.00 0.02 0.00 0.00 177.57 177.34 3hf9 h ALA 186 N 1.73 -1.23 -0.59 1.67 0.00 -0.52 -2.51 119.26 117.82 3hf9 h ALA 186 Ca 0.17 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.01 3hf9 h ALA 186 Cb -0.00 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hf9 h ALA 186 CO -0.04 -1.15 0.48 0.00 0.00 0.00 0.00 179.25 178.54 3hf9 h ALA 187 N -1.45 2.46 0.00 0.00 0.00 -0.65 0.19 119.26 119.80 3hf9 h ALA 187 Ca -0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3hf9 h ALA 187 Cb 0.82 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hf9 h ALA 187 CO 0.18 -0.78 -0.60 -0.07 0.00 0.00 0.00 179.25 177.99 3hf9 h LEU 188 N 0.00 0.00 -0.60 0.00 3.38 -0.81 -3.28 115.31 114.00 3hf9 h LEU 188 Ca 0.28 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.36 3hf9 h LEU 188 Cb 1.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 3hf9 h LEU 188 CO -0.00 0.60 0.15 0.03 0.09 0.00 0.00 178.44 179.30 3hf9 h ARG 189 N 0.00 0.28 0.00 1.13 3.08 -0.18 -3.49 114.38 115.20 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 -2.56 0.33 0.00 0.04 0.00 -1.24 -5.13 120.51 111.95 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 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.10 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 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3hf9 n VAL 205 Cb 0.00 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.46 2.26 -0.95 2.33 0.00 -1.26 -4.37 120.51 118.06 3hf9 n ALA 206 Ca 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 53.44 52.51 3hf9 n ALA 206 Cb 0.00 -0.41 0.37 0.00 0.00 0.00 0.00 19.45 19.41 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 0.52 5.33 -4.19 0.00 7.64 -1.26 -4.87 113.62 116.79 3hf9 n SER 207 Ca 0.10 -3.01 -0.24 0.00 1.01 0.00 0.00 58.87 56.73 3hf9 n SER 207 Cb 0.38 -0.68 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 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 2.09 -0.23 -3.43 1.43 -1.25 -1.20 118.68 113.27 3hf9 s LEU 208 Ca 0.53 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3hf9 s LEU 208 Cb 0.41 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.75 3hf9 s LEU 208 CO 0.14 0.18 -0.06 -0.70 0.23 0.00 0.00 176.35 176.14 3hf9 s GLU 209 N -0.73 3.22 0.08 1.70 2.12 -0.47 -4.85 118.70 119.78 3hf9 s GLU 209 Ca 0.06 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.74 3hf9 s GLU 209 Cb -0.07 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 3hf9 s GLU 209 CO 0.00 -0.25 -0.20 0.08 -0.54 0.00 0.00 175.26 174.36 3hf9 s VAL 210 N 1.43 1.59 0.11 3.70 1.01 -1.26 -1.81 120.40 125.18 3hf9 s VAL 210 Ca 0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.36 3hf9 s VAL 210 Cb -0.15 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 34.87 3hf9 s VAL 210 CO -0.04 -0.03 0.71 0.00 0.00 0.00 0.00 175.10 175.73 3hf9 s ALA 211 N -1.09 -1.65 0.13 5.51 0.00 -0.81 -2.66 121.76 121.19 3hf9 s ALA 211 Ca 0.05 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3hf9 s ALA 211 Cb -0.10 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 3hf9 s ALA 211 CO 0.03 -0.77 -0.00 0.14 0.00 0.00 0.00 175.76 175.17 3hf9 s VAL 212 N -3.55 0.47 -0.59 0.00 -7.23 -0.00 -0.55 120.40 108.96 3hf9 s VAL 212 Ca 0.03 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 3hf9 s VAL 212 Cb -0.01 -1.95 0.23 0.00 0.56 0.00 0.00 36.38 35.21 3hf9 s VAL 212 CO -0.10 -0.61 0.63 -0.11 -0.31 0.00 0.00 175.10 174.60 3hf9 n LEU 213 N -0.12 2.64 -4.73 1.32 7.94 0.11 -1.58 117.00 122.57 3hf9 n LEU 213 Ca -0.08 -5.18 -0.42 0.00 -1.11 0.00 0.00 56.01 49.22 3hf9 n LEU 213 Cb 0.63 -0.34 -0.03 0.00 0.53 0.00 0.00 43.42 44.21 3hf9 n LEU 213 CO 0.31 1.99 1.21 -0.62 -1.11 0.00 0.00 177.39 179.18 3hf9 s ASP 214 N -1.87 6.56 0.28 1.96 3.68 -1.11 -3.43 116.67 122.74 3hf9 s ASP 214 Ca 0.36 2.69 0.02 0.00 2.13 0.00 0.00 52.55 57.74 3hf9 s ASP 214 Cb 0.11 -2.61 0.42 0.00 -1.45 0.00 0.00 42.92 39.39 3hf9 s ASP 214 CO -0.07 -0.82 1.75 0.00 0.13 0.00 0.00 175.17 176.16 3hf9 h ALA 215 N 6.13 1.13 -0.62 3.66 0.00 -1.62 -3.28 119.26 124.67 3hf9 h ALA 215 Ca -0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3hf9 h ALA 215 Cb 1.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3hf9 h ALA 215 CO 0.87 0.54 0.35 -0.91 0.00 0.00 0.00 179.25 180.10 3hf9 h ASN 216 N 0.51 0.76 -2.94 0.00 4.21 -1.92 -3.41 115.58 112.79 3hf9 h ASN 216 Ca 0.09 -0.05 -0.57 0.00 1.21 0.00 0.00 56.30 56.98 3hf9 h ASN 216 Cb 0.57 -0.19 0.09 0.00 -1.12 0.00 0.00 38.32 37.67 3hf9 h ASN 216 CO 0.04 0.61 0.66 0.54 -1.29 0.00 0.00 177.43 177.98 3hf9 n ARG 217 N -4.39 2.21 -0.29 0.81 5.12 -1.24 -4.87 116.66 114.02 3hf9 n ARG 217 Ca 0.06 0.78 -0.06 0.00 -1.93 0.00 0.00 57.85 56.71 3hf9 n ARG 217 Cb 0.09 -2.46 0.06 0.00 -1.16 0.00 0.00 32.46 29.00 3hf9 n ARG 217 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3hf9 h PRO 218 N 4.03 1.16 0.00 5.56 0.11 -1.93 -3.43 132.00 137.50 3hf9 h PRO 218 Ca -0.46 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3hf9 h PRO 218 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hf9 h PRO 218 CO 0.74 0.92 0.00 -2.13 -0.21 0.00 0.00 178.00 177.32 3hf9 n ARG 219 N -4.32 0.00 -2.98 1.05 0.63 -1.26 -4.44 116.66 105.34 3hf9 n ARG 219 Ca 0.07 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.56 3hf9 n ARG 219 Cb 0.17 -0.23 -0.04 0.00 0.45 0.00 0.00 32.46 32.81 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 -1.94 3.13 0.24 -0.14 0.52 -1.26 -4.37 118.95 115.13 3hf9 s ARG 220 Ca 0.00 -1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 54.03 3hf9 s ARG 220 Cb 0.00 -4.31 0.29 0.00 0.52 0.00 0.00 34.95 31.45 3hf9 s ARG 220 CO 0.00 -1.69 1.70 0.00 0.02 0.00 0.00 175.30 175.33 3hf9 h ALA 221 N 9.31 1.01 -2.43 2.13 0.00 -1.63 -3.46 119.26 124.18 3hf9 h ALA 221 Ca -0.24 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 53.77 3hf9 h ALA 221 Cb 1.07 -0.16 0.09 0.00 0.00 0.00 0.00 17.79 18.79 3hf9 h ALA 221 CO 1.13 0.59 0.65 0.34 0.00 0.00 0.00 179.25 181.97 3hf9 n PHE 222 N -4.15 2.30 -3.67 0.00 7.35 -1.26 -2.75 117.46 115.28 3hf9 n PHE 222 Ca 0.01 0.41 -0.08 0.00 -0.76 0.00 0.00 57.45 57.03 3hf9 n PHE 222 Cb 0.38 -2.48 -0.09 0.00 0.35 0.00 0.00 39.48 37.63 3hf9 n PHE 222 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3hf9 s ARG 223 N -0.57 0.42 -0.12 -4.13 3.52 -0.62 -4.96 118.95 112.49 3hf9 s ARG 223 Ca 0.66 1.00 -0.11 0.00 -0.13 0.00 0.00 55.73 57.14 3hf9 s ARG 223 Cb -0.61 0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 32.94 3hf9 s ARG 223 CO 0.51 -0.20 0.24 1.03 -0.81 0.00 0.00 175.30 176.07 3hf9 s ARG 224 N 2.02 3.93 -0.48 5.12 0.52 -1.26 -0.82 118.95 127.97 3hf9 s ARG 224 Ca -0.06 0.03 -0.20 0.00 -0.52 0.00 0.00 55.73 54.98 3hf9 s ARG 224 Cb -0.10 -3.31 0.04 0.00 0.52 0.00 0.00 34.95 32.10 3hf9 s ARG 224 CO -0.14 0.50 0.64 0.42 0.02 0.00 0.00 175.30 176.74 3hf9 s ILE 225 N -0.31 4.83 0.15 1.52 1.01 -1.09 -4.96 121.20 122.36 3hf9 s ILE 225 Ca 0.16 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 3hf9 s ILE 225 Cb -0.13 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.09 3hf9 s ILE 225 CO 0.05 -0.74 1.68 0.74 0.00 0.00 0.00 174.94 176.66 3hf9 h THR 226 N 5.87 1.22 0.00 2.92 2.02 -1.96 -3.41 112.91 119.57 3hf9 h THR 226 Ca -0.27 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3hf9 h THR 226 Cb 1.09 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3hf9 h THR 226 CO 0.94 0.27 0.00 0.61 0.37 0.00 0.00 175.52 177.71 3hf9 n GLY 227 N -0.70 -0.09 0.20 2.16 0.00 -1.26 -4.88 105.19 100.63 3hf9 n GLY 227 Ca 0.01 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 3hf9 n GLY 227 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hf9 h SER 228 N 0.00 0.56 0.67 1.61 0.87 -1.99 5.74 113.55 121.01 3hf9 h SER 228 Ca 0.00 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 3hf9 h SER 228 Cb 0.00 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3hf9 h SER 228 CO 0.00 0.43 -0.47 0.00 -0.53 0.00 0.00 176.83 176.26 3hf9 h ALA 229 N 1.16 1.05 -0.59 6.23 0.00 -1.96 -2.51 119.26 122.63 3hf9 h ALA 229 Ca 0.17 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3hf9 h ALA 229 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hf9 h ALA 229 CO -0.04 0.58 0.12 1.25 0.00 0.00 0.00 179.25 181.17 3hf9 h LEU 230 N 0.00 0.89 -1.13 0.00 6.46 0.26 -2.98 115.31 118.81 3hf9 h LEU 230 Ca -0.00 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3hf9 h LEU 230 Cb 0.93 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.58 3hf9 h LEU 230 CO 0.06 0.88 0.48 1.56 -0.62 0.00 0.00 178.44 180.80 3hf9 h GLN 231 N 0.89 1.07 -0.77 1.25 1.08 1.17 -2.62 115.11 117.20 3hf9 h GLN 231 Ca 0.19 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hf9 h GLN 231 Cb 0.36 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 3hf9 h GLN 231 CO 0.00 0.75 0.47 0.00 -0.95 0.00 0.00 178.83 179.11 3hf9 h ALA 232 N 1.43 0.98 -0.72 3.87 0.00 -1.52 -2.11 119.26 121.18 3hf9 h ALA 232 Ca 0.29 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 232 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3hf9 h ALA 232 CO -0.05 0.43 0.22 -0.07 0.00 0.00 0.00 179.25 179.78 3hf9 h LEU 233 N 1.05 1.05 0.00 0.00 3.38 -1.54 -3.53 115.31 115.73 3hf9 h LEU 233 Ca 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hf9 h LEU 233 Cb -0.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3hf9 h LEU 233 CO -0.05 0.98 0.00 0.18 0.09 0.00 0.00 178.44 179.63