#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 h ARG 14 N 0.00 0.05 0.26 2.12 3.08 -2.03 -2.72 114.38 115.14 3hf9 h ARG 14 Ca 0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hf9 h ARG 14 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3hf9 h ARG 14 CO 0.00 0.72 -0.20 1.49 -1.07 0.00 0.00 179.97 180.91 3hf9 h GLU 15 N 0.01 -0.45 -0.31 0.04 4.81 -2.06 -1.32 114.58 115.31 3hf9 h GLU 15 Ca -0.23 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3hf9 h GLU 15 Cb 1.96 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.41 3hf9 h GLU 15 CO 0.10 -0.30 0.10 0.00 -0.73 0.00 0.00 179.01 178.18 3hf9 h ARG 16 N -0.46 0.22 -0.44 1.92 3.08 -2.00 -1.29 114.38 115.40 3hf9 h ARG 16 Ca -0.02 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.15 3hf9 h ARG 16 Cb 0.41 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3hf9 h ARG 16 CO -0.01 0.14 0.34 1.03 -1.07 0.00 0.00 179.97 180.41 3hf9 h SER 17 N 0.23 0.00 0.05 7.04 0.87 -1.36 -1.83 113.55 118.54 3hf9 h SER 17 Ca 0.14 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hf9 h SER 17 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3hf9 h SER 17 CO -0.16 0.00 -0.03 -0.33 -0.53 0.00 0.00 176.83 175.79 3hf9 h GLU 18 N 0.00 -0.07 -0.81 2.24 4.39 -0.16 -2.30 114.58 117.87 3hf9 h GLU 18 Ca 0.21 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.07 3hf9 h GLU 18 Cb 0.89 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.40 3hf9 h GLU 18 CO -0.00 0.35 -0.25 1.25 -1.16 0.00 0.00 179.01 179.20 3hf9 h LEU 19 N -0.98 -0.91 0.97 1.33 5.85 -1.14 0.66 115.31 121.09 3hf9 h LEU 19 Ca -0.01 0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3hf9 h LEU 19 Cb 0.45 0.55 0.01 0.00 0.37 0.00 0.00 40.66 42.05 3hf9 h LEU 19 CO 0.01 -0.28 -0.47 0.00 -0.34 0.00 0.00 178.44 177.36 3hf9 h ALA 20 N 1.64 -1.34 -0.27 1.25 0.00 -1.47 -2.32 119.26 116.75 3hf9 h ALA 20 Ca 0.37 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 20 Cb 0.60 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hf9 h ALA 20 CO -0.84 -1.25 0.19 -0.09 0.00 0.00 0.00 179.25 177.26 3hf9 h ARG 21 N -1.32 0.03 0.26 0.00 2.43 -1.02 -1.93 114.38 112.83 3hf9 h ARG 21 Ca -0.13 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3hf9 h ARG 21 Cb 1.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3hf9 h ARG 21 CO 0.22 0.02 -0.12 0.87 -1.51 0.00 0.00 179.97 179.45 3hf9 h LYS 22 N 0.03 -0.33 -0.90 0.20 1.57 -0.87 -2.43 116.57 113.84 3hf9 h LYS 22 Ca 0.13 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.13 3hf9 h LYS 22 Cb 0.46 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 3hf9 h LYS 22 CO -0.01 0.01 0.59 0.78 -0.57 0.00 0.00 179.45 180.26 3hf9 h GLY 23 N -0.92 0.94 1.24 3.86 0.00 -1.08 -0.83 103.07 106.29 3hf9 h GLY 23 Ca -0.04 -0.20 -0.20 0.00 0.00 0.00 0.00 47.33 46.89 3hf9 h GLY 23 CO 0.06 -0.00 -0.66 -2.22 0.00 0.00 0.00 176.54 173.72 3hf9 h ILE 24 N 0.44 1.29 0.00 2.60 2.04 -1.42 -3.08 117.51 119.39 3hf9 h ILE 24 Ca 0.47 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3hf9 h ILE 24 Cb 1.12 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3hf9 h ILE 24 CO -0.19 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.56 3hf9 n ALA 25 N -2.57 1.85 0.82 1.87 0.00 -0.36 -1.58 120.51 120.54 3hf9 n ALA 25 Ca -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.40 3hf9 n ALA 25 Cb 0.68 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.29 1.29 -2.67 0.00 1.74 -0.93 -4.14 116.66 110.65 3hf9 n ARG 26 Ca 0.07 -0.14 -0.22 0.00 -0.77 0.00 0.00 57.85 56.78 3hf9 n ARG 26 Cb 0.12 -1.33 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.56 3.74 0.56 7.54 0.00 -0.96 -4.90 121.76 125.18 3hf9 s ALA 27 Ca 0.08 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 3hf9 s ALA 27 Cb 0.13 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3hf9 s ALA 27 CO 0.67 -0.70 1.24 0.15 0.00 0.00 0.00 175.76 177.12 3hf9 s LYS 28 N -4.77 3.13 0.39 0.00 -0.14 -1.26 -1.76 119.74 115.32 3hf9 s LYS 28 Ca 0.55 1.92 -0.15 0.00 -1.36 0.00 0.00 55.97 56.93 3hf9 s LYS 28 Cb -0.10 -2.08 -0.09 0.00 -1.68 0.00 0.00 37.83 33.88 3hf9 s LYS 28 CO 0.39 -1.11 0.81 -1.12 -0.76 0.00 0.00 175.35 173.57 3hf9 s SER 29 N -1.40 6.72 0.02 2.83 0.01 -1.26 -4.29 113.70 116.33 3hf9 s SER 29 Ca 0.74 1.35 0.02 0.00 1.31 0.00 0.00 55.95 59.37 3hf9 s SER 29 Cb -0.33 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 3hf9 s SER 29 CO 0.37 -0.33 -0.06 -0.69 0.41 0.00 0.00 173.24 172.94 3hf9 s VAL 30 N -2.20 0.40 -0.01 3.43 1.01 0.02 -2.32 120.40 120.74 3hf9 s VAL 30 Ca 0.55 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3hf9 s VAL 30 Cb -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3hf9 s VAL 30 CO 0.22 -0.25 -0.04 -0.69 0.00 0.00 0.00 175.10 174.34 3hf9 s VAL 31 N -0.99 0.32 -0.07 2.92 1.01 0.87 -1.52 120.40 122.94 3hf9 s VAL 31 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3hf9 s VAL 31 Cb -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.03 3hf9 s VAL 31 CO 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 175.10 175.15 3hf9 s ALA 32 N 0.13 1.00 0.00 5.51 0.00 -0.73 -0.31 121.76 127.36 3hf9 s ALA 32 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3hf9 s ALA 32 Cb -0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 3hf9 s ALA 32 CO -0.00 -0.20 0.02 -0.48 0.00 0.00 0.00 175.76 175.10 3hf9 s LEU 33 N 1.31 1.98 0.28 0.00 2.34 -0.28 0.30 118.68 124.60 3hf9 s LEU 33 Ca -0.04 -0.19 -0.29 0.00 0.06 0.00 0.00 54.13 53.67 3hf9 s LEU 33 Cb -0.14 0.18 -0.09 0.00 -0.56 0.00 0.00 46.19 45.58 3hf9 s LEU 33 CO -0.03 -0.17 1.05 0.00 -1.06 0.00 0.00 176.35 176.14 3hf9 s ALA 34 N -0.75 3.37 0.21 1.48 0.00 0.02 -0.61 121.76 125.48 3hf9 s ALA 34 Ca -0.08 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3hf9 s ALA 34 Cb -0.05 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3hf9 s ALA 34 CO -0.00 -0.07 0.08 1.52 0.00 0.00 0.00 175.76 177.29 3hf9 s TYR 35 N -1.21 1.31 0.24 0.00 -0.85 0.15 -4.50 117.35 112.49 3hf9 s TYR 35 Ca 0.45 -1.21 -0.07 0.00 -0.52 0.00 0.00 57.07 55.72 3hf9 s TYR 35 Cb -0.30 -0.73 0.28 0.00 0.38 0.00 0.00 41.96 41.59 3hf9 s TYR 35 CO 0.38 -0.42 1.88 0.00 -1.52 0.00 0.00 175.55 175.87 3hf9 h ALA 36 N 2.55 1.16 -0.71 9.51 0.00 -1.66 -2.46 119.26 127.65 3hf9 h ALA 36 Ca -0.37 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3hf9 h ALA 36 Cb 1.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3hf9 h ALA 36 CO 0.59 0.41 0.18 0.78 0.00 0.00 0.00 179.25 181.21 3hf9 h GLY 37 N 1.09 1.22 0.00 0.00 0.00 -1.92 -3.48 103.07 99.98 3hf9 h GLY 37 Ca 0.35 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3hf9 h GLY 37 CO -0.12 0.71 0.00 0.61 0.00 0.00 0.00 176.54 177.74 3hf9 n GLY 38 N -0.69 -0.56 3.78 4.60 0.00 -0.93 -2.21 105.19 109.17 3hf9 n GLY 38 Ca 0.05 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.57 5.24 -0.14 1.61 1.01 -1.13 0.34 120.40 123.76 3hf9 s VAL 39 Ca 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 3hf9 s VAL 39 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3hf9 s VAL 39 CO 0.00 0.47 -0.07 -0.22 0.00 0.00 0.00 175.10 175.28 3hf9 s LEU 40 N -0.15 3.07 -0.16 3.92 2.96 0.22 -1.64 118.68 126.90 3hf9 s LEU 40 Ca 0.19 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3hf9 s LEU 40 Cb -0.14 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3hf9 s LEU 40 CO 0.07 0.17 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.89 3hf9 s PHE 41 N 0.32 3.03 -0.05 5.38 0.08 -0.85 -1.13 117.98 124.76 3hf9 s PHE 41 Ca -0.06 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 3hf9 s PHE 41 Cb -0.15 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.35 3hf9 s PHE 41 CO 0.04 -0.08 0.03 0.08 -0.10 0.00 0.00 175.22 175.19 3hf9 s VAL 42 N 0.50 0.09 0.01 -0.44 1.01 0.57 -2.14 120.40 120.01 3hf9 s VAL 42 Ca -0.03 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3hf9 s VAL 42 Cb -0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3hf9 s VAL 42 CO 0.03 0.20 -0.10 0.00 0.00 0.00 0.00 175.10 175.22 3hf9 s ALA 43 N 1.92 0.83 -0.07 5.51 0.00 -0.70 -0.09 121.76 129.16 3hf9 s ALA 43 Ca 0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3hf9 s ALA 43 Cb -0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3hf9 s ALA 43 CO -0.04 0.16 1.13 -1.83 0.00 0.00 0.00 175.76 175.18 3hf9 s GLU 44 N -0.69 4.38 -0.27 0.00 -1.05 -0.98 -1.25 118.70 118.83 3hf9 s GLU 44 Ca 0.01 1.57 -0.00 0.00 -0.15 0.00 0.00 54.97 56.40 3hf9 s GLU 44 Cb -0.06 -3.55 0.15 0.00 -0.44 0.00 0.00 34.13 30.24 3hf9 s GLU 44 CO 0.00 -0.40 0.43 1.21 0.95 0.00 0.00 175.26 177.46 3hf9 s ASN 45 N 1.33 -0.07 0.20 0.83 3.84 -0.26 -4.66 114.94 116.15 3hf9 s ASN 45 Ca 0.53 0.13 -0.07 0.00 0.21 0.00 0.00 52.86 53.67 3hf9 s ASN 45 Cb -0.22 1.33 0.14 0.00 -0.55 0.00 0.00 41.25 41.94 3hf9 s ASN 45 CO 0.21 -0.31 1.64 -0.65 -2.79 0.00 0.00 177.10 175.20 3hf9 h PRO 46 N 8.14 0.94 -5.59 0.43 0.11 -1.90 -3.31 132.00 130.82 3hf9 h PRO 46 Ca -0.15 -0.33 -0.59 0.00 0.11 0.00 0.00 66.00 65.04 3hf9 h PRO 46 Cb 1.15 -0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.09 3hf9 h PRO 46 CO 0.26 0.99 -0.08 0.45 -0.21 0.00 0.00 178.00 179.41 3hf9 s SER 47 N -6.66 6.59 0.14 -2.05 0.15 -1.26 -4.89 113.70 105.71 3hf9 s SER 47 Ca -0.11 0.70 -0.14 0.00 0.70 0.00 0.00 55.95 57.10 3hf9 s SER 47 Cb 0.13 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 3hf9 s SER 47 CO 0.85 -0.12 1.63 0.08 1.20 0.00 0.00 173.24 176.87 3hf9 h ARG 48 N 7.24 0.72 -0.40 5.44 0.11 -1.93 -3.31 114.38 122.27 3hf9 h ARG 48 Ca -0.36 -0.19 -0.04 0.00 0.10 0.00 0.00 59.98 59.50 3hf9 h ARG 48 Cb 1.16 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.14 3hf9 h ARG 48 CO 0.74 0.74 0.10 0.66 0.10 0.00 0.00 179.97 182.31 3hf9 h SER 49 N 0.59 0.60 -3.89 0.08 4.64 -1.99 -3.43 113.55 110.14 3hf9 h SER 49 Ca 0.14 -0.23 -0.48 0.00 -0.47 0.00 0.00 61.79 60.74 3hf9 h SER 49 Cb 0.36 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hf9 h SER 49 CO 0.01 0.68 0.40 -0.76 -0.87 0.00 0.00 176.83 176.28 3hf9 s LEU 50 N -9.63 4.33 -0.01 5.97 1.43 -1.25 -5.05 118.68 114.47 3hf9 s LEU 50 Ca -0.13 2.03 0.02 0.00 -1.03 0.00 0.00 54.13 55.02 3hf9 s LEU 50 Cb 0.10 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.36 3hf9 s LEU 50 CO 0.77 -0.23 -0.07 -1.10 0.23 0.00 0.00 176.35 175.94 3hf9 s GLN 51 N -2.02 0.70 0.00 1.70 -0.21 -1.26 -4.87 119.66 113.70 3hf9 s GLN 51 Ca 0.51 -0.25 0.16 0.00 0.02 0.00 0.00 55.36 55.81 3hf9 s GLN 51 Cb -0.24 -0.68 -0.10 0.00 1.00 0.00 0.00 33.01 32.99 3hf9 s GLN 51 CO 0.30 0.11 0.77 1.63 -2.12 0.00 0.00 175.29 175.99 3hf9 n LYS 52 N 3.14 1.65 -4.74 2.91 5.02 -1.26 -4.93 118.16 119.95 3hf9 n LYS 52 Ca -0.16 -0.35 -0.24 0.00 -2.02 0.00 0.00 58.31 55.54 3hf9 n LYS 52 Cb 0.56 -1.28 -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 -2.30 1.25 0.08 -0.18 1.01 -1.26 -1.10 121.20 118.70 3hf9 s ILE 53 Ca 0.09 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 3hf9 s ILE 53 Cb 0.13 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.59 3hf9 s ILE 53 CO 0.56 0.36 0.41 -0.55 0.00 0.00 0.00 174.94 175.72 3hf9 s SER 54 N -0.28 -0.27 0.50 3.58 0.15 0.10 -4.99 113.70 112.49 3hf9 s SER 54 Ca 0.04 -0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.35 3hf9 s SER 54 Cb -0.07 0.45 -0.08 0.00 -1.71 0.00 0.00 66.02 64.61 3hf9 s SER 54 CO -0.00 -0.76 1.05 -0.70 1.20 0.00 0.00 173.24 174.04 3hf9 s GLU 55 N -3.11 3.72 0.04 5.44 2.12 -1.26 -0.94 118.70 124.71 3hf9 s GLU 55 Ca -0.01 1.40 -0.01 0.00 0.36 0.00 0.00 54.97 56.71 3hf9 s GLU 55 Cb 0.00 -2.08 -0.01 0.00 0.26 0.00 0.00 34.13 32.31 3hf9 s GLU 55 CO -0.07 -0.51 -0.02 1.28 -0.54 0.00 0.00 175.26 175.40 3hf9 n LEU 56 N -1.03 0.71 0.00 2.70 4.77 -0.81 -4.81 117.00 118.53 3hf9 n LEU 56 Ca 0.10 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3hf9 n LEU 56 Cb 0.52 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3hf9 n LEU 56 CO 0.40 -0.39 0.17 0.00 -1.33 0.00 0.00 177.39 176.24 3hf9 n TYR 57 N -3.35 -1.40 -0.21 -1.77 9.36 -0.94 -4.73 117.16 114.12 3hf9 n TYR 57 Ca -0.02 -2.10 -0.06 0.00 3.32 0.00 0.00 57.90 59.04 3hf9 n TYR 57 Cb 0.25 0.51 -0.05 0.00 -0.63 0.00 0.00 39.34 39.42 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 -1.66 -0.54 -0.90 2.98 8.00 -1.26 -2.46 116.55 120.71 3hf9 n ASP 58 Ca 0.00 1.32 0.09 0.00 0.71 0.00 0.00 54.79 56.91 3hf9 n ASP 58 Cb 0.53 -0.32 0.16 0.00 -0.02 0.00 0.00 41.12 41.47 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 -4.16 2.12 -5.07 -1.24 5.12 -1.26 -1.81 116.66 110.36 3hf9 n ARG 59 Ca 0.01 -1.98 -0.29 0.00 -1.93 0.00 0.00 57.85 53.66 3hf9 n ARG 59 Cb 0.13 -1.40 -0.16 0.00 -1.16 0.00 0.00 32.46 29.87 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 -1.33 1.79 0.53 1.55 0.11 -1.03 -1.70 120.40 120.32 3hf9 s VAL 60 Ca 0.30 -0.91 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 3hf9 s VAL 60 Cb 0.18 -1.52 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 3hf9 s VAL 60 CO 0.25 0.50 0.24 -0.83 -3.33 0.00 0.00 175.10 171.93 3hf9 s GLY 61 N -0.01 2.65 -0.14 6.54 0.00 0.03 -1.92 107.32 114.46 3hf9 s GLY 61 Ca -0.06 -0.87 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 3hf9 s GLY 61 CO 0.04 -2.05 0.36 -0.12 0.00 0.00 0.00 173.10 171.33 3hf9 s PHE 62 N -2.82 -0.47 0.00 1.90 2.19 -0.12 -1.67 117.98 116.99 3hf9 s PHE 62 Ca 0.22 1.07 -0.00 0.00 0.33 0.00 0.00 56.93 58.55 3hf9 s PHE 62 Cb -0.01 0.18 -0.01 0.00 -1.31 0.00 0.00 43.02 41.87 3hf9 s PHE 62 CO 0.14 -0.27 -0.00 0.00 1.83 0.00 0.00 175.22 176.92 3hf9 s ALA 63 N 0.96 0.02 0.04 11.12 0.00 -0.15 0.02 121.76 133.78 3hf9 s ALA 63 Ca -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 3hf9 s ALA 63 Cb -0.07 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3hf9 s ALA 63 CO -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 175.76 175.60 3hf9 s ALA 64 N -0.45 0.42 0.08 0.00 0.00 -0.26 0.63 121.76 122.18 3hf9 s ALA 64 Ca -0.05 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.02 3hf9 s ALA 64 Cb -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3hf9 s ALA 64 CO -0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 175.76 175.34 3hf9 s ALA 65 N -2.76 1.47 0.00 0.00 0.00 -0.59 -4.81 121.76 115.06 3hf9 s ALA 65 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3hf9 s ALA 65 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3hf9 s ALA 65 CO -0.05 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.38 3hf9 n GLY 66 N 1.25 0.42 3.67 0.00 0.00 -1.26 -1.35 105.19 107.92 3hf9 n GLY 66 Ca -0.20 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.97 4.31 0.04 1.61 2.20 -0.77 -4.89 119.74 121.27 3hf9 s LYS 67 Ca 0.00 1.34 -0.22 0.00 -0.36 0.00 0.00 55.97 56.73 3hf9 s LYS 67 Cb 0.00 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.60 3hf9 s LYS 67 CO 0.00 -0.51 1.33 0.35 -0.36 0.00 0.00 175.35 176.16 3hf9 h PHE 68 N 7.33 -0.76 -1.78 4.03 3.57 -1.96 -2.01 116.94 125.36 3hf9 h PHE 68 Ca -0.24 -0.01 0.52 0.00 3.53 0.00 0.00 57.97 61.77 3hf9 h PHE 68 Cb 1.09 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 40.03 3hf9 h PHE 68 CO 0.74 -0.44 1.27 -2.95 -2.23 0.00 0.00 178.31 174.70 3hf9 h ASN 69 N -0.73 0.01 0.00 0.41 -1.07 -1.99 0.19 115.58 112.41 3hf9 h ASN 69 Ca -0.07 0.01 -0.02 0.00 0.07 0.00 0.00 56.30 56.29 3hf9 h ASN 69 Cb 0.58 0.01 -0.00 0.00 -2.07 0.00 0.00 38.32 36.83 3hf9 h ASN 69 CO 0.08 -0.01 -0.19 -0.33 0.07 0.00 0.00 177.43 177.05 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.88 -3.11 114.58 118.81 3hf9 h GLU 70 Ca 0.86 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 59.13 3hf9 h GLU 70 Cb 3.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.64 3hf9 h GLU 70 CO -0.03 0.51 -0.39 0.27 -1.00 0.00 0.00 179.01 178.37 3hf9 h PHE 71 N -1.00 0.00 0.57 4.33 -5.15 -0.54 -2.39 116.94 112.76 3hf9 h PHE 71 Ca -0.04 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.70 3hf9 h PHE 71 Cb 0.60 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.77 3hf9 h PHE 71 CO 0.10 0.39 -0.28 0.22 -2.00 0.00 0.00 178.31 176.75 3hf9 h ASP 72 N 0.00 -0.65 -0.71 -0.68 3.58 -0.84 -0.76 116.42 116.36 3hf9 h ASP 72 Ca -0.00 -0.03 0.17 0.00 0.42 0.00 0.00 57.03 57.59 3hf9 h ASP 72 Cb 0.87 0.17 -0.13 0.00 1.72 0.00 0.00 39.33 41.95 3hf9 h ASP 72 CO 0.05 -0.35 -0.07 -3.20 -2.88 0.00 0.00 179.24 172.79 3hf9 n ASN 73 N -5.36 -0.16 -0.19 2.28 5.15 -1.17 -0.31 115.26 115.51 3hf9 n ASN 73 Ca -0.12 1.21 -0.10 0.00 -0.60 0.00 0.00 54.58 54.97 3hf9 n ASN 73 Cb 0.34 -0.41 0.01 0.00 -0.53 0.00 0.00 39.78 39.19 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 0.97 -0.76 1.20 3.38 -1.06 -1.91 115.31 117.13 3hf9 h LEU 74 Ca 0.39 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3hf9 h LEU 74 Cb 0.73 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3hf9 h LEU 74 CO -0.69 1.06 0.43 -0.09 0.09 0.00 0.00 178.44 179.23 3hf9 h ARG 75 N 0.85 0.73 -0.13 1.13 2.43 0.85 -0.09 114.38 120.15 3hf9 h ARG 75 Ca 0.15 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3hf9 h ARG 75 Cb 0.58 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hf9 h ARG 75 CO 0.03 0.48 -0.03 0.00 -1.51 0.00 0.00 179.97 178.95 3hf9 h ARG 76 N 0.75 0.24 -0.69 0.20 3.08 -1.02 -2.23 114.38 114.72 3hf9 h ARG 76 Ca 0.35 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 60.40 3hf9 h ARG 76 Cb 0.28 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 3hf9 h ARG 76 CO -0.22 0.54 0.46 0.78 -1.07 0.00 0.00 179.97 180.46 3hf9 h GLY 77 N -0.07 0.80 0.63 0.04 0.00 -1.01 0.33 103.07 103.80 3hf9 h GLY 77 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3hf9 h GLY 77 CO 0.01 0.14 -0.02 -1.33 0.00 0.00 0.00 176.54 175.35 3hf9 h GLY 78 N 0.57 -0.06 0.53 4.60 0.00 -0.81 -0.48 103.07 107.42 3hf9 h GLY 78 Ca 0.32 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.73 3hf9 h GLY 78 CO -0.10 -0.02 0.13 -2.22 0.00 0.00 0.00 176.54 174.32 3hf9 h ILE 79 N -0.43 0.82 -0.36 2.60 2.04 -1.06 0.16 117.51 121.28 3hf9 h ILE 79 Ca -0.01 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3hf9 h ILE 79 Cb 0.39 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 3hf9 h ILE 79 CO 0.01 0.05 -0.45 1.56 0.00 0.00 0.00 178.15 179.32 3hf9 h GLN 80 N 0.28 -0.36 0.14 2.37 1.08 -0.84 -0.30 115.11 117.49 3hf9 h GLN 80 Ca 0.21 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 3hf9 h GLN 80 Cb 0.24 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3hf9 h GLN 80 CO -0.24 -0.24 -0.07 0.35 -0.95 0.00 0.00 178.83 177.68 3hf9 h PHE 81 N -0.37 -0.17 0.11 2.96 3.57 -0.51 -2.55 116.94 119.98 3hf9 h PHE 81 Ca 0.12 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3hf9 h PHE 81 Cb 0.60 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 3hf9 h PHE 81 CO -0.62 -0.06 -0.32 0.00 -2.23 0.00 0.00 178.31 175.08 3hf9 h ALA 82 N 0.61 -0.53 -0.88 2.41 0.00 -0.42 -1.33 119.26 119.12 3hf9 h ALA 82 Ca -0.02 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3hf9 h ALA 82 Cb 0.19 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3hf9 h ALA 82 CO 0.03 -0.86 0.57 -0.44 0.00 0.00 0.00 179.25 178.56 3hf9 h ASP 83 N -0.53 0.78 -0.07 0.00 3.32 -1.03 -1.21 116.42 117.67 3hf9 h ASP 83 Ca 0.03 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3hf9 h ASP 83 Cb 0.57 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3hf9 h ASP 83 CO -0.19 0.46 0.02 0.74 -1.72 0.00 0.00 179.24 178.54 3hf9 h THR 84 N 0.86 1.18 -0.32 0.35 2.02 -0.97 -2.55 112.91 113.49 3hf9 h THR 84 Ca 0.41 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3hf9 h THR 84 Cb 0.43 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3hf9 h THR 84 CO -0.18 0.15 0.14 0.03 0.37 0.00 0.00 175.52 176.04 3hf9 h ARG 85 N -0.09 0.29 -0.72 6.66 2.47 -0.56 -0.72 114.38 121.70 3hf9 h ARG 85 Ca 0.02 -0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.87 3hf9 h ARG 85 Cb 0.23 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.44 3hf9 h ARG 85 CO -0.00 0.19 0.48 0.78 0.56 0.00 0.00 179.97 181.98 3hf9 h GLY 86 N 0.29 0.63 1.25 0.04 0.00 -1.20 0.92 103.07 104.99 3hf9 h GLY 86 Ca 0.14 -0.16 -0.33 0.00 0.00 0.00 0.00 47.33 46.97 3hf9 h GLY 86 CO -0.12 0.06 -1.51 -1.82 0.00 0.00 0.00 176.54 173.16 3hf9 h TYR 87 N 0.38 0.86 0.00 5.60 3.20 -1.02 -3.32 116.97 122.68 3hf9 h TYR 87 Ca 0.35 -0.63 0.00 0.00 3.14 0.00 0.00 58.73 61.59 3hf9 h TYR 87 Cb 0.82 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3hf9 h TYR 87 CO -0.00 1.55 -0.06 0.00 -1.64 0.00 0.00 178.16 178.00 3hf9 n ALA 88 N -2.72 2.45 -2.00 1.82 0.00 -0.32 -4.81 120.51 114.94 3hf9 n ALA 88 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3hf9 n ALA 88 Cb 1.09 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.63 0.00 -4.33 0.00 4.01 0.22 -5.06 117.16 110.36 3hf9 n TYR 89 Ca 0.07 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.63 3hf9 n TYR 89 Cb 0.36 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.28 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 2.10 0.42 7.72 3.84 -1.25 -4.98 116.67 125.52 3hf9 s ASP 90 Ca 0.00 -1.14 0.29 0.00 -0.00 0.00 0.00 52.55 51.71 3hf9 s ASP 90 Cb 0.00 -0.05 1.35 0.00 -1.38 0.00 0.00 42.92 42.84 3hf9 s ASP 90 CO 0.00 -0.39 1.88 0.03 -0.00 0.00 0.00 175.17 176.69 3hf9 h ARG 91 N 2.52 0.00 -0.22 2.11 3.08 -1.90 -2.83 114.38 117.14 3hf9 h ARG 91 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 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 0.64 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.08 3hf9 n ARG 92 N -2.63 1.92 0.16 0.04 1.74 -1.26 -3.52 116.66 113.12 3hf9 n ARG 92 Ca 0.00 -1.39 0.05 0.00 -0.77 0.00 0.00 57.85 55.74 3hf9 n ARG 92 Cb 0.20 -1.42 0.14 0.00 -1.02 0.00 0.00 32.46 30.36 3hf9 n ARG 92 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3hf9 h ASP 93 N 2.78 0.00 -3.07 0.55 3.58 -1.87 -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 0.61 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.60 3hf9 h ASP 93 CO 0.00 0.41 0.81 -0.69 -2.88 0.00 0.00 179.24 176.89 3hf9 s VAL 94 N -3.16 4.65 0.06 2.25 1.01 -1.23 -4.94 120.40 119.04 3hf9 s VAL 94 Ca 0.03 1.99 0.03 0.00 0.00 0.00 0.00 61.98 64.03 3hf9 s VAL 94 Cb 0.08 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3hf9 s VAL 94 CO 0.72 -0.18 -0.09 0.42 0.00 0.00 0.00 175.10 175.97 3hf9 s THR 95 N 3.22 0.67 0.14 3.92 -4.23 -1.26 -4.95 115.64 113.15 3hf9 s THR 95 Ca 0.45 -1.32 -0.22 0.00 -1.18 0.00 0.00 61.69 59.42 3hf9 s THR 95 Cb -0.16 -0.93 -0.00 0.00 1.34 0.00 0.00 72.50 72.75 3hf9 s THR 95 CO 0.07 -0.47 1.66 1.23 -0.54 0.00 0.00 174.62 176.56 3hf9 h GLY 96 N 4.09 -0.07 -0.62 3.99 0.00 -1.94 -1.42 103.07 107.10 3hf9 h GLY 96 Ca -0.36 0.20 0.16 0.00 0.00 0.00 0.00 47.33 47.33 3hf9 h GLY 96 CO 0.46 -0.16 -0.22 -0.09 0.00 0.00 0.00 176.54 176.53 3hf9 h ARG 97 N -0.19 -0.01 -0.03 4.80 1.12 -1.96 -1.77 114.38 116.35 3hf9 h ARG 97 Ca 0.11 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.97 3hf9 h ARG 97 Cb 0.35 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 3hf9 h ARG 97 CO -0.28 -0.01 -0.01 0.37 -3.11 0.00 0.00 179.97 176.93 3hf9 h GLN 98 N -0.01 0.05 -0.35 0.20 4.15 -1.65 -2.66 115.11 114.83 3hf9 h GLN 98 Ca 0.38 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.80 3hf9 h GLN 98 Cb 0.59 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 3hf9 h GLN 98 CO -0.83 0.41 0.19 -0.07 -1.93 0.00 0.00 178.83 176.60 3hf9 h LEU 99 N -0.30 0.29 -0.42 -2.39 3.38 -0.91 -1.64 115.31 113.32 3hf9 h LEU 99 Ca 0.01 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3hf9 h LEU 99 Cb 0.39 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3hf9 h LEU 99 CO 0.00 0.22 0.04 0.00 0.09 0.00 0.00 178.44 178.79 3hf9 h ALA 100 N 1.17 0.43 -0.89 1.53 0.00 -1.36 0.60 119.26 120.74 3hf9 h ALA 100 Ca 0.14 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.30 3hf9 h ALA 100 Cb 0.03 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 3hf9 h ALA 100 CO -0.09 -0.36 0.49 -0.97 0.00 0.00 0.00 179.25 178.33 3hf9 h ASN 101 N 0.16 0.64 0.03 0.00 -0.73 -1.08 0.32 115.58 114.91 3hf9 h ASN 101 Ca 0.21 0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.46 3hf9 h ASN 101 Cb 0.28 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.84 3hf9 h ASN 101 CO -0.31 0.29 -0.01 0.58 -0.37 0.00 0.00 177.43 177.60 3hf9 h VAL 102 N 0.72 1.22 -0.81 2.57 2.07 -0.28 -2.11 116.25 119.63 3hf9 h VAL 102 Ca 0.48 -0.78 0.08 0.00 0.82 0.00 0.00 66.70 67.29 3hf9 h VAL 102 Cb 0.63 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 3hf9 h VAL 102 CO -0.34 0.20 0.48 1.88 0.02 0.00 0.00 177.57 179.81 3hf9 h TYR 103 N -0.37 0.88 -0.04 1.57 0.05 -0.33 -1.12 116.97 117.61 3hf9 h TYR 103 Ca -0.00 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.84 3hf9 h TYR 103 Cb 0.35 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.78 3hf9 h TYR 103 CO 0.04 0.40 -0.18 0.00 -1.05 0.00 0.00 178.16 177.37 3hf9 h ALA 104 N 1.42 -0.19 0.00 3.88 0.00 -0.32 0.12 119.26 124.17 3hf9 h ALA 104 Ca 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3hf9 h ALA 104 Cb 0.27 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hf9 h ALA 104 CO -0.21 -0.66 -0.12 1.96 0.00 0.00 0.00 179.25 180.22 3hf9 h GLN 105 N -0.27 0.00 0.01 0.00 4.20 -0.66 0.17 115.11 118.55 3hf9 h GLN 105 Ca 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hf9 h GLN 105 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3hf9 h GLN 105 CO -0.20 0.12 -0.00 1.15 -0.67 0.00 0.00 178.83 179.23 3hf9 h THR 106 N 0.00 1.10 -0.64 -0.54 2.02 -0.82 -2.12 112.91 111.91 3hf9 h THR 106 Ca -0.00 -1.79 0.04 0.00 0.77 0.00 0.00 66.41 65.43 3hf9 h THR 106 Cb 0.37 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 3hf9 h THR 106 CO 0.02 0.37 0.42 -0.07 0.37 0.00 0.00 175.52 176.63 3hf9 h LEU 107 N -0.99 0.62 0.08 2.58 3.38 -0.84 -0.80 115.31 119.34 3hf9 h LEU 107 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hf9 h LEU 107 Cb 0.61 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hf9 h LEU 107 CO 0.00 0.42 -0.04 1.23 0.09 0.00 0.00 178.44 180.15 3hf9 h GLY 108 N 0.72 -0.12 0.72 0.83 0.00 -0.74 -0.02 103.07 104.46 3hf9 h GLY 108 Ca 0.26 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.65 3hf9 h GLY 108 CO -0.07 -0.04 -0.12 -0.84 0.00 0.00 0.00 176.54 175.46 3hf9 h THR 109 N -0.26 0.70 -0.53 4.70 2.02 -0.74 -2.35 112.91 116.46 3hf9 h THR 109 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 3hf9 h THR 109 Cb 0.22 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 3hf9 h THR 109 CO 0.02 0.00 0.17 0.40 0.37 0.00 0.00 175.52 176.48 3hf9 h ILE 110 N -0.21 0.79 0.00 3.11 2.04 -1.06 0.26 117.51 122.44 3hf9 h ILE 110 Ca 0.04 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3hf9 h ILE 110 Cb 0.26 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3hf9 h ILE 110 CO -0.11 0.06 -0.00 0.15 0.00 0.00 0.00 178.15 178.25 3hf9 h PHE 111 N 0.34 0.00 0.00 1.37 3.57 -0.71 -2.18 116.94 119.34 3hf9 h PHE 111 Ca 0.26 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.56 3hf9 h PHE 111 Cb 0.30 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3hf9 h PHE 111 CO -0.18 0.00 -1.22 2.41 -2.23 0.00 0.00 178.31 177.09 3hf9 n THR 112 N -3.97 1.50 0.41 4.41 -1.04 -0.54 -4.81 114.28 110.24 3hf9 n THR 112 Ca -0.03 -0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.05 3hf9 n THR 112 Cb 0.09 -2.12 -0.10 0.00 -1.82 0.00 0.00 70.33 66.38 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 -4.46 1.53 -2.45 -2.82 1.02 0.81 -4.98 120.64 109.30 3hf9 n GLU 113 Ca -0.28 -0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.57 3hf9 n GLU 113 Cb 0.60 -1.25 0.08 0.00 -0.02 0.00 0.00 31.44 30.85 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 -2.63 1.99 0.07 3.49 -0.21 -0.82 -5.02 119.66 116.53 3hf9 s GLN 114 Ca 0.01 -0.73 -0.17 0.00 0.02 0.00 0.00 55.36 54.50 3hf9 s GLN 114 Cb 0.10 -2.30 -0.14 0.00 1.00 0.00 0.00 33.01 31.68 3hf9 s GLN 114 CO 0.60 -1.25 1.32 0.00 -2.12 0.00 0.00 175.29 173.85 3hf9 h ALA 115 N -0.45 0.30 -3.78 6.09 0.00 -1.94 -3.44 119.26 116.03 3hf9 h ALA 115 Ca -0.41 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 53.52 3hf9 h ALA 115 Cb 1.29 -0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 115 CO 0.49 0.39 -0.82 0.21 0.00 0.00 0.00 179.25 179.52 3hf9 s LYS 116 N -4.01 1.64 0.59 0.00 2.20 -1.26 -5.13 119.74 113.76 3hf9 s LYS 116 Ca -0.13 -0.52 -0.19 0.00 -0.36 0.00 0.00 55.97 54.77 3hf9 s LYS 116 Cb 0.07 -1.42 -0.03 0.00 -1.51 0.00 0.00 37.83 34.94 3hf9 s LYS 116 CO 0.83 0.18 1.26 -1.25 -0.36 0.00 0.00 175.35 176.00 3hf9 s PRO 117 N 0.19 2.94 0.03 4.03 0.04 -1.26 -4.86 135.00 136.10 3hf9 s PRO 117 Ca -0.06 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 3hf9 s PRO 117 Cb -0.12 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3hf9 s PRO 117 CO 0.02 -1.27 1.28 0.71 0.04 0.00 0.00 177.00 177.79 3hf9 s TYR 118 N -1.48 3.20 -1.33 0.56 1.51 -1.26 -4.88 117.35 113.67 3hf9 s TYR 118 Ca 0.77 1.10 -0.13 0.00 -1.01 0.00 0.00 57.07 57.81 3hf9 s TYR 118 Cb -0.34 -3.52 0.12 0.00 -0.11 0.00 0.00 41.96 38.10 3hf9 s TYR 118 CO 0.38 -1.76 1.91 0.39 -1.11 0.00 0.00 175.55 175.35 3hf9 n GLU 119 N 4.60 3.29 -4.12 -0.62 1.02 -1.26 -4.63 120.64 118.91 3hf9 n GLU 119 Ca 0.11 -3.25 -0.09 0.00 -0.02 0.00 0.00 57.16 53.90 3hf9 n GLU 119 Cb 0.45 -3.13 -0.10 0.00 -0.02 0.00 0.00 31.44 28.65 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 1.92 0.11 -0.09 2.62 -7.23 -1.26 -1.85 120.40 114.61 3hf9 s VAL 120 Ca 0.44 -1.85 -0.03 0.00 -1.81 0.00 0.00 61.98 58.73 3hf9 s VAL 120 Cb 0.08 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 35.09 3hf9 s VAL 120 CO -0.02 -0.49 0.17 -0.70 -0.31 0.00 0.00 175.10 173.76 3hf9 s GLU 121 N -4.03 0.04 0.09 4.82 2.12 -0.45 -3.17 118.70 118.11 3hf9 s GLU 121 Ca 0.22 0.57 0.03 0.00 0.36 0.00 0.00 54.97 56.14 3hf9 s GLU 121 Cb 0.07 -0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 3hf9 s GLU 121 CO 0.01 -0.30 0.12 -0.51 -0.54 0.00 0.00 175.26 174.04 3hf9 s LEU 122 N 2.24 3.93 -0.08 2.70 1.02 0.29 -1.55 118.68 127.22 3hf9 s LEU 122 Ca 0.02 0.04 -0.00 0.00 0.02 0.00 0.00 54.13 54.21 3hf9 s LEU 122 Cb -0.12 -2.58 0.02 0.00 0.02 0.00 0.00 46.19 43.53 3hf9 s LEU 122 CO -0.06 0.16 -0.05 0.00 0.02 0.00 0.00 176.35 176.42 3hf9 s VAL 124 N 1.54 3.67 -0.07 0.00 1.01 -0.68 -0.98 120.40 124.88 3hf9 s VAL 124 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3hf9 s VAL 124 Cb -0.13 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3hf9 s VAL 124 CO -0.05 0.42 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 3hf9 s ALA 125 N 1.31 2.50 0.09 5.51 0.00 -0.67 -1.31 121.76 129.20 3hf9 s ALA 125 Ca 0.04 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.11 3hf9 s ALA 125 Cb -0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 3hf9 s ALA 125 CO -0.00 0.44 -0.20 -2.00 0.00 0.00 0.00 175.76 173.99 3hf9 s GLU 126 N -0.30 1.80 0.21 0.00 2.12 -0.49 -0.79 118.70 121.25 3hf9 s GLU 126 Ca 0.02 -1.15 0.10 0.00 0.36 0.00 0.00 54.97 54.30 3hf9 s GLU 126 Cb -0.13 -2.09 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 3hf9 s GLU 126 CO 0.03 0.49 -0.21 0.08 -0.54 0.00 0.00 175.26 175.11 3hf9 s VAL 127 N -1.05 2.18 0.63 3.70 1.01 -0.69 -2.02 120.40 124.17 3hf9 s VAL 127 Ca 0.16 -2.11 -0.17 0.00 0.00 0.00 0.00 61.98 59.86 3hf9 s VAL 127 Cb -0.10 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3hf9 s VAL 127 CO 0.08 -0.29 1.17 0.00 0.00 0.00 0.00 175.10 176.06 3hf9 s ALA 128 N -2.10 2.45 0.75 5.51 0.00 -1.26 -4.87 121.76 122.24 3hf9 s ALA 128 Ca 0.22 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 3hf9 s ALA 128 Cb -0.06 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3hf9 s ALA 128 CO 0.10 -1.29 1.13 -1.01 0.00 0.00 0.00 175.76 174.68 3hf9 s HIS 129 N -1.89 2.34 0.19 0.00 3.76 -1.26 -4.84 115.29 113.59 3hf9 s HIS 129 Ca 0.73 1.60 -0.11 0.00 -0.15 0.00 0.00 55.06 57.13 3hf9 s HIS 129 Cb -0.27 -3.20 0.21 0.00 1.11 0.00 0.00 32.58 30.43 3hf9 s HIS 129 CO 0.37 -2.07 1.76 -0.92 -0.85 0.00 0.00 174.74 173.04 3hf9 h TYR 130 N -0.76 0.43 -0.41 1.40 3.20 -1.81 -2.90 116.97 116.12 3hf9 h TYR 130 Ca -0.45 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.39 3hf9 h TYR 130 Cb 1.25 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 3hf9 h TYR 130 CO 0.54 0.16 0.05 0.78 -1.64 0.00 0.00 178.16 178.05 3hf9 h GLY 131 N 0.45 0.75 -1.49 1.82 0.00 -1.92 -3.46 103.07 99.22 3hf9 h GLY 131 Ca 0.27 -0.51 -0.50 0.00 0.00 0.00 0.00 47.33 46.59 3hf9 h GLY 131 CO -0.23 0.47 0.31 -1.83 0.00 0.00 0.00 176.54 175.26 3hf9 s GLU 132 N -5.13 3.35 -0.14 4.80 -1.05 -1.09 -5.10 118.70 114.33 3hf9 s GLU 132 Ca -0.13 0.45 0.02 0.00 -0.15 0.00 0.00 54.97 55.17 3hf9 s GLU 132 Cb 0.10 -2.17 0.01 0.00 -0.44 0.00 0.00 34.13 31.63 3hf9 s GLU 132 CO 0.78 -0.59 -0.21 0.99 0.95 0.00 0.00 175.26 177.19 3hf9 s THR 133 N -3.08 2.14 0.14 1.83 2.01 -1.26 -4.38 115.64 113.04 3hf9 s THR 133 Ca 0.54 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 61.37 3hf9 s THR 133 Cb -0.11 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 70.61 3hf9 s THR 133 CO 0.50 0.55 0.53 -0.75 -0.69 0.00 0.00 174.62 174.75 3hf9 s LYS 134 N 0.76 1.20 0.05 4.92 2.20 -1.26 -5.06 119.74 122.55 3hf9 s LYS 134 Ca -0.08 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 3hf9 s LYS 134 Cb -0.16 0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 3hf9 s LYS 134 CO -0.01 -0.50 1.01 0.50 -0.36 0.00 0.00 175.35 175.99 3hf9 s ARG 135 N -3.71 4.59 0.41 4.03 3.52 -1.26 -4.53 118.95 121.99 3hf9 s ARG 135 Ca 0.01 1.49 -0.27 0.00 -0.13 0.00 0.00 55.73 56.84 3hf9 s ARG 135 Cb 0.00 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 3hf9 s ARG 135 CO -0.12 0.01 1.42 -2.14 -0.81 0.00 0.00 175.30 173.66 3hf9 s PRO 136 N 0.63 3.94 -0.10 5.12 0.02 -1.26 -4.87 135.00 138.48 3hf9 s PRO 136 Ca 0.51 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.94 3hf9 s PRO 136 Cb -0.23 -2.82 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 3hf9 s PRO 136 CO 0.29 -0.61 -0.04 -1.21 -0.33 0.00 0.00 177.00 175.10 3hf9 s GLU 137 N -2.23 3.05 -0.00 5.54 2.02 -0.86 -4.92 118.70 121.30 3hf9 s GLU 137 Ca 0.56 -0.50 0.07 0.00 0.02 0.00 0.00 54.97 55.12 3hf9 s GLU 137 Cb -0.44 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.04 3hf9 s GLU 137 CO 0.58 0.57 -0.22 -0.51 0.02 0.00 0.00 175.26 175.70 3hf9 s LEU 138 N -0.54 2.07 0.00 1.80 1.02 -1.24 -1.39 118.68 120.40 3hf9 s LEU 138 Ca 0.08 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.84 3hf9 s LEU 138 Cb -0.12 -1.11 -0.01 0.00 0.02 0.00 0.00 46.19 44.97 3hf9 s LEU 138 CO 0.02 0.25 -0.14 -0.31 0.02 0.00 0.00 176.35 176.19 3hf9 s TYR 139 N -0.59 1.20 -0.17 0.29 1.51 -0.43 -2.24 117.35 116.93 3hf9 s TYR 139 Ca 0.08 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3hf9 s TYR 139 Cb -0.09 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.99 3hf9 s TYR 139 CO -0.00 -0.01 -0.10 0.50 -1.11 0.00 0.00 175.55 174.83 3hf9 s ARG 140 N -0.48 3.34 -0.20 -0.62 3.52 1.00 -1.69 118.95 123.81 3hf9 s ARG 140 Ca 0.04 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.98 3hf9 s ARG 140 Cb -0.06 -2.78 0.04 0.00 -1.56 0.00 0.00 34.95 30.60 3hf9 s ARG 140 CO -0.00 0.00 -0.10 0.42 -0.81 0.00 0.00 175.30 174.81 3hf9 s ILE 141 N 0.90 1.68 0.55 4.11 1.09 -0.25 -1.50 121.20 127.77 3hf9 s ILE 141 Ca -0.02 -1.06 -0.04 0.00 -1.10 0.00 0.00 60.65 58.43 3hf9 s ILE 141 Cb -0.15 -1.76 0.01 0.00 -1.06 0.00 0.00 42.46 39.50 3hf9 s ILE 141 CO -0.00 0.16 0.82 0.42 -0.10 0.00 0.00 174.94 176.24 3hf9 s THR 142 N 1.37 3.70 0.60 2.92 -4.23 -0.94 -0.55 115.64 118.51 3hf9 s THR 142 Ca -0.02 -0.19 0.29 0.00 -1.18 0.00 0.00 61.69 60.59 3hf9 s THR 142 Cb -0.16 -3.43 0.40 0.00 1.34 0.00 0.00 72.50 70.64 3hf9 s THR 142 CO -0.08 -0.39 1.67 0.10 -0.54 0.00 0.00 174.62 175.38 3hf9 h TYR 143 N 0.01 0.00 -0.00 3.99 -0.00 -1.80 0.11 116.97 119.27 3hf9 h TYR 143 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3hf9 h TYR 143 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3hf9 h TYR 143 CO 0.46 0.00 -0.69 -0.40 -0.00 0.00 0.00 178.16 177.53 3hf9 n ASP 144 N -3.54 1.14 0.00 0.10 5.75 -1.26 -4.48 116.55 114.25 3hf9 n ASP 144 Ca 0.15 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 3hf9 n ASP 144 Cb 1.03 0.63 0.00 0.00 -1.03 0.00 0.00 41.12 41.75 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 1.46 0.89 3.65 6.12 0.00 0.38 -3.73 105.19 113.96 3hf9 n GLY 145 Ca 0.06 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.16 6.87 -0.14 1.61 0.01 -1.25 -4.82 113.70 113.82 3hf9 s SER 146 Ca 0.00 1.08 -0.02 0.00 1.31 0.00 0.00 55.95 58.32 3hf9 s SER 146 Cb 0.00 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 3hf9 s SER 146 CO 0.00 -0.53 -0.06 -0.51 0.41 0.00 0.00 173.24 172.55 3hf9 s ILE 147 N 2.86 3.66 0.04 1.44 2.07 -1.26 -2.21 121.20 127.79 3hf9 s ILE 147 Ca 0.36 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 3hf9 s ILE 147 Cb -0.15 -2.57 -0.02 0.00 0.13 0.00 0.00 42.46 39.84 3hf9 s ILE 147 CO 0.07 0.52 -0.07 0.00 -1.91 0.00 0.00 174.94 173.55 3hf9 s ALA 148 N 0.18 0.49 -0.13 1.50 0.00 -0.57 -4.99 121.76 118.24 3hf9 s ALA 148 Ca -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3hf9 s ALA 148 Cb -0.14 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3hf9 s ALA 148 CO 0.03 -0.05 -0.21 0.16 0.00 0.00 0.00 175.76 175.69 3hf9 s ASP 149 N -1.58 3.28 -0.21 0.00 1.47 -1.26 -0.00 116.67 118.37 3hf9 s ASP 149 Ca -0.11 -0.54 -0.05 0.00 1.18 0.00 0.00 52.55 53.03 3hf9 s ASP 149 Cb -0.10 -1.47 -0.02 0.00 -0.34 0.00 0.00 42.92 40.99 3hf9 s ASP 149 CO -0.00 0.12 -0.00 -1.61 0.68 0.00 0.00 175.17 174.36 3hf9 s GLU 150 N 0.58 3.58 0.18 2.11 2.02 -0.95 -4.98 118.70 121.23 3hf9 s GLU 150 Ca -0.12 -0.54 -0.11 0.00 0.02 0.00 0.00 54.97 54.23 3hf9 s GLU 150 Cb -0.17 -3.09 0.07 0.00 0.10 0.00 0.00 34.13 31.05 3hf9 s GLU 150 CO 0.04 -0.05 1.69 -1.00 0.02 0.00 0.00 175.26 175.95 3hf9 h PRO 151 N 7.69 0.98 0.02 0.39 0.13 -1.91 -3.31 132.00 135.99 3hf9 h PRO 151 Ca -0.37 -0.24 -0.39 0.00 -0.87 0.00 0.00 66.00 64.13 3hf9 h PRO 151 Cb 1.18 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 3hf9 h PRO 151 CO 0.60 0.90 -2.23 0.72 -0.23 0.00 0.00 178.00 177.75 3hf9 n HIS 152 N -4.34 0.36 -3.60 1.56 8.25 -1.26 -4.68 115.22 111.51 3hf9 n HIS 152 Ca 0.03 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.50 3hf9 n HIS 152 Cb 0.24 -1.04 -0.04 0.00 1.12 0.00 0.00 29.99 30.27 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 -2.50 -0.27 0.00 4.41 -0.12 -1.26 -0.80 117.98 117.44 3hf9 s PHE 153 Ca -0.34 -0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 3hf9 s PHE 153 Cb 0.10 0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 3hf9 s PHE 153 CO 0.58 -0.80 -0.05 0.08 -0.05 0.00 0.00 175.22 174.98 3hf9 s VAL 154 N -3.81 0.34 -0.02 -2.49 1.01 0.15 -4.76 120.40 110.82 3hf9 s VAL 154 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3hf9 s VAL 154 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 3hf9 s VAL 154 CO -0.10 0.00 -0.12 -0.69 0.00 0.00 0.00 175.10 174.19 3hf9 s VAL 155 N -0.33 0.99 0.02 2.92 1.01 -1.26 -1.78 120.40 121.97 3hf9 s VAL 155 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3hf9 s VAL 155 Cb -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3hf9 s VAL 155 CO -0.00 0.29 -0.04 -0.04 0.00 0.00 0.00 175.10 175.31 3hf9 s MET 156 N -0.05 0.32 0.18 2.72 -1.94 -0.57 -4.99 119.30 114.96 3hf9 s MET 156 Ca 0.00 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 3hf9 s MET 156 Cb -0.07 0.01 0.00 0.00 2.01 0.00 0.00 34.83 36.77 3hf9 s MET 156 CO 0.00 -0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.40 3hf9 n GLY 157 N 1.77 -2.85 7.00 -0.03 0.00 -1.26 -0.80 105.19 109.02 3hf9 n GLY 157 Ca -0.22 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.64 1.14 3.48 -0.02 0.00 -0.61 -4.28 105.19 102.26 3hf9 n GLY 158 Ca -0.03 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3hf9 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 159 N 0.00 4.77 0.04 2.61 -4.23 -1.26 -4.48 115.64 113.09 3hf9 s THR 159 Ca 0.00 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 3hf9 s THR 159 Cb 0.00 -4.32 -0.31 0.00 1.34 0.00 0.00 72.50 69.21 3hf9 s THR 159 CO 0.00 -0.82 1.02 0.71 -0.54 0.00 0.00 174.62 174.99 3hf9 h THR 160 N 5.90 1.34 -0.40 3.99 1.35 -1.94 -3.38 112.91 119.77 3hf9 h THR 160 Ca -0.27 -2.88 0.07 0.00 -0.55 0.00 0.00 66.41 62.78 3hf9 h THR 160 Cb 1.09 2.93 -0.07 0.00 -1.73 0.00 0.00 68.15 70.37 3hf9 h THR 160 CO 0.97 0.85 -0.02 -0.33 -0.25 0.00 0.00 175.52 176.75 3hf9 h GLU 161 N 0.10 0.08 -0.53 4.72 3.07 -1.96 0.94 114.58 120.99 3hf9 h GLU 161 Ca -0.20 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.76 3hf9 h GLU 161 Cb 2.05 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.91 3hf9 h GLU 161 CO 0.22 0.05 0.37 -1.35 -1.40 0.00 0.00 179.01 176.90 3hf9 h PRO 162 N 0.09 0.26 0.12 2.33 0.11 -1.90 -0.05 132.00 132.95 3hf9 h PRO 162 Ca 0.19 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.99 3hf9 h PRO 162 Cb 0.28 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 3hf9 h PRO 162 CO -0.34 0.17 -1.54 0.82 -0.21 0.00 0.00 178.00 176.90 3hf9 h ILE 163 N 0.26 0.95 -0.68 4.15 2.04 -1.53 -2.88 117.51 119.84 3hf9 h ILE 163 Ca 0.25 -2.40 0.01 0.00 1.00 0.00 0.00 64.86 63.72 3hf9 h ILE 163 Cb 0.64 2.67 -0.04 0.00 -0.74 0.00 0.00 36.82 39.35 3hf9 h ILE 163 CO -0.05 0.74 0.44 0.00 0.00 0.00 0.00 178.15 179.28 3hf9 h ALA 164 N -0.02 0.86 -0.18 1.87 0.00 -0.56 -1.06 119.26 120.17 3hf9 h ALA 164 Ca -0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3hf9 h ALA 164 Cb 1.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3hf9 h ALA 164 CO 0.07 0.27 0.02 -0.91 0.00 0.00 0.00 179.25 178.70 3hf9 h ASN 165 N 0.90 0.29 -0.85 0.00 2.35 -1.17 -0.64 115.58 116.47 3hf9 h ASN 165 Ca 0.25 -0.27 0.17 0.00 -0.55 0.00 0.00 56.30 55.90 3hf9 h ASN 165 Cb -0.08 -0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.10 3hf9 h ASN 165 CO -0.06 0.49 0.40 0.00 -1.65 0.00 0.00 177.43 176.61 3hf9 h ALA 166 N 0.81 1.28 -0.03 -0.83 0.00 -1.25 -2.47 119.26 116.78 3hf9 h ALA 166 Ca 0.05 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hf9 h ALA 166 Cb 0.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hf9 h ALA 166 CO 0.00 -0.18 -0.20 -0.07 0.00 0.00 0.00 179.25 178.80 3hf9 h LEU 167 N 0.53 0.23 -0.97 0.00 3.38 -1.14 -2.49 115.31 114.84 3hf9 h LEU 167 Ca 0.48 -0.69 0.30 0.00 0.09 0.00 0.00 57.88 58.05 3hf9 h LEU 167 Cb 0.76 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.26 3hf9 h LEU 167 CO -0.42 0.89 0.12 0.29 0.09 0.00 0.00 178.44 179.41 3hf9 n LYS 168 N -4.55 -0.07 0.04 1.13 5.02 -0.25 -0.03 118.16 119.43 3hf9 n LYS 168 Ca -0.09 1.44 -0.19 0.00 -2.02 0.00 0.00 58.31 57.44 3hf9 n LYS 168 Cb 0.45 -2.34 -0.14 0.00 -0.02 0.00 0.00 35.03 32.98 3hf9 n LYS 168 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hf9 h GLU 169 N 0.00 0.27 -0.33 1.97 4.11 -1.60 -3.35 114.58 115.65 3hf9 h GLU 169 Ca 0.64 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3hf9 h GLU 169 Cb 1.42 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3hf9 h GLU 169 CO -0.88 1.15 0.00 -1.13 0.07 0.00 0.00 179.01 178.22 3hf9 n SER 170 N -3.46 2.04 -4.55 3.06 3.41 -0.49 -4.88 113.62 108.75 3hf9 n SER 170 Ca -0.25 -1.91 -0.42 0.00 -0.26 0.00 0.00 58.87 56.03 3hf9 n SER 170 Cb 1.06 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.57 3.13 -0.29 7.33 5.04 0.95 -4.94 117.35 126.99 3hf9 s TYR 171 Ca 0.29 0.15 -0.09 0.00 -2.44 0.00 0.00 57.07 54.97 3hf9 s TYR 171 Cb 0.15 -3.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.28 3hf9 s TYR 171 CO 0.21 -0.70 0.14 0.00 -1.34 0.00 0.00 175.55 173.87 3hf9 s ALA 172 N 2.67 3.29 0.51 3.97 0.00 -1.26 -5.02 121.76 125.92 3hf9 s ALA 172 Ca 0.22 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.68 3hf9 s ALA 172 Cb -0.15 -2.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 3hf9 s ALA 172 CO 0.16 -0.77 1.15 -1.83 0.00 0.00 0.00 175.76 174.47 3hf9 s GLU 173 N 1.64 3.52 -1.28 0.00 -1.05 -1.26 -3.26 118.70 117.00 3hf9 s GLU 173 Ca 0.05 1.71 -0.01 0.00 -0.15 0.00 0.00 54.97 56.56 3hf9 s GLU 173 Cb -0.17 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.34 3hf9 s GLU 173 CO 0.06 -0.74 0.20 0.09 0.95 0.00 0.00 175.26 175.83 3hf9 n ASN 174 N -0.94 -4.86 -4.80 0.83 4.13 -1.26 -4.94 115.26 103.42 3hf9 n ASN 174 Ca 0.10 -0.10 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 3hf9 n ASN 174 Cb 0.49 -3.87 0.05 0.00 -1.54 0.00 0.00 39.78 34.92 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 -2.89 2.56 0.79 5.41 0.00 -1.20 -4.20 121.76 122.23 3hf9 s ALA 175 Ca 0.10 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 3hf9 s ALA 175 Cb -0.04 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.92 3hf9 s ALA 175 CO 0.12 -1.29 1.10 -1.54 0.00 0.00 0.00 175.76 174.15 3hf9 s SER 176 N -3.37 4.27 0.21 0.00 1.04 -1.26 -2.55 113.70 112.04 3hf9 s SER 176 Ca 0.61 1.88 -0.10 0.00 0.48 0.00 0.00 55.95 58.82 3hf9 s SER 176 Cb -0.16 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.61 3hf9 s SER 176 CO 0.50 -2.19 1.86 0.25 0.98 0.00 0.00 173.24 174.65 3hf9 h LEU 177 N -1.22 0.79 -0.63 2.42 5.85 -1.98 -0.97 115.31 119.57 3hf9 h LEU 177 Ca -0.43 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 3hf9 h LEU 177 Cb 1.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3hf9 h LEU 177 CO 0.50 0.56 0.16 0.00 -0.34 0.00 0.00 178.44 179.31 3hf9 h THR 178 N 0.93 1.25 -0.37 1.05 1.03 -2.00 -2.08 112.91 112.73 3hf9 h THR 178 Ca 0.28 -0.92 -0.04 0.00 -0.01 0.00 0.00 66.41 65.72 3hf9 h THR 178 Cb -0.05 0.65 -0.02 0.00 -1.07 0.00 0.00 68.15 67.66 3hf9 h THR 178 CO -0.08 0.35 0.09 0.44 -0.01 0.00 0.00 175.52 176.31 3hf9 h ASP 179 N 0.93 0.56 -0.09 0.00 5.19 -1.77 -2.49 116.42 118.74 3hf9 h ASP 179 Ca 0.20 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 3hf9 h ASP 179 Cb 0.36 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 3hf9 h ASP 179 CO 0.00 0.65 -0.03 0.00 -3.12 0.00 0.00 179.24 176.74 3hf9 h ALA 180 N 0.94 1.57 -0.55 3.45 0.00 -1.16 -1.97 119.26 121.54 3hf9 h ALA 180 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hf9 h ALA 180 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hf9 h ALA 180 CO 0.00 0.31 0.18 1.25 0.00 0.00 0.00 179.25 181.00 3hf9 h LEU 181 N 0.30 0.80 0.19 0.00 5.85 -1.08 -1.59 115.31 119.78 3hf9 h LEU 181 Ca 0.07 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3hf9 h LEU 181 Cb 0.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hf9 h LEU 181 CO 0.01 0.78 -0.09 0.03 -0.34 0.00 0.00 178.44 178.83 3hf9 h ARG 182 N 0.77 -0.25 -0.94 1.25 3.08 -1.02 -1.93 114.38 115.34 3hf9 h ARG 182 Ca 0.18 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.48 3hf9 h ARG 182 Cb 0.26 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.24 3hf9 h ARG 182 CO -0.01 0.03 0.47 0.82 -1.07 0.00 0.00 179.97 180.21 3hf9 h ILE 183 N -0.53 0.48 0.26 2.04 2.04 -1.32 0.22 117.51 120.69 3hf9 h ILE 183 Ca -0.03 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3hf9 h ILE 183 Cb 0.40 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3hf9 h ILE 183 CO 0.04 0.08 -0.12 0.00 0.00 0.00 0.00 178.15 178.15 3hf9 h ALA 184 N 1.73 -0.35 -0.59 1.87 0.00 -1.23 -0.82 119.26 119.88 3hf9 h ALA 184 Ca 0.60 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.37 3hf9 h ALA 184 Cb 1.16 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3hf9 h ALA 184 CO -0.52 -0.48 0.39 0.28 0.00 0.00 0.00 179.25 178.92 3hf9 h VAL 185 N -0.77 1.01 0.79 0.00 2.07 -0.65 0.55 116.25 119.25 3hf9 h VAL 185 Ca -0.04 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3hf9 h VAL 185 Cb 0.50 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hf9 h VAL 185 CO 0.06 0.11 -0.38 0.00 0.02 0.00 0.00 177.57 177.38 3hf9 h ALA 186 N 1.67 -1.06 -0.35 1.67 0.00 -0.56 -2.58 119.26 118.05 3hf9 h ALA 186 Ca 0.25 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 186 Cb 0.25 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hf9 h ALA 186 CO -0.07 -1.02 0.28 0.00 0.00 0.00 0.00 179.25 178.44 3hf9 h ALA 187 N -1.10 2.22 -0.01 0.00 0.00 -0.34 0.60 119.26 120.64 3hf9 h ALA 187 Ca -0.11 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3hf9 h ALA 187 Cb 0.82 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hf9 h ALA 187 CO 0.18 -0.46 -0.59 -0.07 0.00 0.00 0.00 179.25 178.31 3hf9 h LEU 188 N 0.00 0.05 -0.60 0.00 3.38 -0.82 -3.30 115.31 114.01 3hf9 h LEU 188 Ca 0.17 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.22 3hf9 h LEU 188 Cb 0.73 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 3hf9 h LEU 188 CO -0.00 0.62 0.12 0.03 0.09 0.00 0.00 178.44 179.30 3hf9 h ARG 189 N 0.03 0.25 0.00 1.13 3.08 -0.46 -3.49 114.38 114.92 3hf9 h ARG 189 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hf9 h ARG 189 Cb 1.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3hf9 h ARG 189 CO 0.08 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 3hf9 n ALA 190 N -2.60 0.28 0.00 0.04 0.00 -1.24 -5.13 120.51 111.86 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 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3hf9 n ALA 190 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hf9 n VAL 205 N -0.12 0.00 0.15 0.00 0.24 -1.26 -4.64 118.33 112.71 3hf9 n VAL 205 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.36 3hf9 n VAL 205 Cb 0.00 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.47 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 -0.60 2.33 -0.97 2.33 0.00 -1.26 -4.37 120.51 117.97 3hf9 n ALA 206 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 53.44 52.59 3hf9 n ALA 206 Cb 0.00 -0.43 0.36 0.00 0.00 0.00 0.00 19.45 19.38 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 0.61 5.25 -4.21 0.00 7.64 -1.26 -4.87 113.62 116.78 3hf9 n SER 207 Ca 0.10 -3.06 -0.26 0.00 1.01 0.00 0.00 58.87 56.66 3hf9 n SER 207 Cb 0.36 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.72 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 -2.87 2.06 -0.23 -3.43 1.43 -1.25 -1.11 118.68 113.28 3hf9 s LEU 208 Ca 0.54 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3hf9 s LEU 208 Cb 0.42 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.63 3hf9 s LEU 208 CO 0.14 0.23 -0.03 -0.70 0.23 0.00 0.00 176.35 176.22 3hf9 s GLU 209 N -0.57 3.27 -0.01 1.70 2.12 -0.38 -4.84 118.70 119.99 3hf9 s GLU 209 Ca 0.08 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.76 3hf9 s GLU 209 Cb -0.08 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 3hf9 s GLU 209 CO -0.00 -0.25 -0.17 0.08 -0.54 0.00 0.00 175.26 174.38 3hf9 s VAL 210 N 1.46 1.32 0.13 3.70 1.01 -1.26 -1.72 120.40 125.04 3hf9 s VAL 210 Ca 0.05 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 3hf9 s VAL 210 Cb -0.15 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.15 3hf9 s VAL 210 CO -0.03 0.35 0.38 0.00 0.00 0.00 0.00 175.10 175.80 3hf9 s ALA 211 N -0.43 -0.82 0.17 5.51 0.00 -0.91 -2.36 121.76 122.91 3hf9 s ALA 211 Ca 0.06 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 51.94 3hf9 s ALA 211 Cb -0.07 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3hf9 s ALA 211 CO -0.00 -0.64 -0.15 0.14 0.00 0.00 0.00 175.76 175.10 3hf9 s VAL 212 N -3.82 1.62 -0.56 0.00 -7.23 0.41 -2.00 120.40 108.82 3hf9 s VAL 212 Ca 0.04 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 3hf9 s VAL 212 Cb 0.02 -1.83 0.25 0.00 0.56 0.00 0.00 36.38 35.38 3hf9 s VAL 212 CO -0.11 -0.47 0.67 -0.11 -0.31 0.00 0.00 175.10 174.78 3hf9 n LEU 213 N 0.09 2.60 -4.73 1.32 7.94 -0.65 -0.65 117.00 122.92 3hf9 n LEU 213 Ca -0.12 -5.20 -0.42 0.00 -1.11 0.00 0.00 56.01 49.16 3hf9 n LEU 213 Cb 0.58 -0.24 -0.02 0.00 0.53 0.00 0.00 43.42 44.27 3hf9 n LEU 213 CO 0.31 2.06 1.20 -0.62 -1.11 0.00 0.00 177.39 179.23 3hf9 s ASP 214 N -2.06 6.55 0.00 1.96 2.15 -0.94 -2.84 116.67 121.49 3hf9 s ASP 214 Ca 0.38 2.72 0.22 0.00 0.43 0.00 0.00 52.55 56.31 3hf9 s ASP 214 Cb 0.16 -2.61 0.52 0.00 -0.30 0.00 0.00 42.92 40.68 3hf9 s ASP 214 CO -0.04 -0.81 1.44 0.00 -0.17 0.00 0.00 175.17 175.59 3hf9 n ALA 215 N 3.01 2.46 0.88 3.66 0.00 -0.94 -3.96 120.51 125.62 3hf9 n ALA 215 Ca 0.10 -0.82 0.10 0.00 0.00 0.00 0.00 53.44 52.83 3hf9 n ALA 215 Cb 0.39 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.95 3hf9 n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hf9 n ASN 216 N 1.09 2.46 -4.80 0.00 5.15 -1.26 -4.62 115.26 113.28 3hf9 n ASN 216 Ca 0.18 -1.73 -0.37 0.00 -0.60 0.00 0.00 54.58 52.06 3hf9 n ASN 216 Cb 0.51 0.16 -0.06 0.00 -0.53 0.00 0.00 39.78 39.86 3hf9 n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hf9 s ARG 217 N -1.92 4.39 0.08 1.20 1.81 -1.25 -5.02 118.95 118.24 3hf9 s ARG 217 Ca 0.22 1.04 -0.20 0.00 -1.72 0.00 0.00 55.73 55.07 3hf9 s ARG 217 Cb 0.17 -2.92 -0.10 0.00 -0.45 0.00 0.00 34.95 31.66 3hf9 s ARG 217 CO 0.34 0.39 1.56 -1.35 -0.68 0.00 0.00 175.30 175.57 3hf9 h PRO 218 N 3.49 0.32 0.00 3.54 0.11 -1.93 -3.42 132.00 134.10 3hf9 h PRO 218 Ca -0.47 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3hf9 h PRO 218 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hf9 h PRO 218 CO 0.65 0.45 -0.04 -2.13 -0.21 0.00 0.00 178.00 176.73 3hf9 n ARG 219 N -4.77 0.00 -3.07 1.05 0.63 -1.26 -4.42 116.66 104.82 3hf9 n ARG 219 Ca -0.04 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.44 3hf9 n ARG 219 Cb 0.17 -0.44 -0.04 0.00 0.45 0.00 0.00 32.46 32.61 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hf9 s ARG 220 N -2.00 3.07 0.34 -0.14 0.52 -1.26 -4.34 118.95 115.14 3hf9 s ARG 220 Ca 0.00 -1.27 0.08 0.00 -0.52 0.00 0.00 55.73 54.02 3hf9 s ARG 220 Cb 0.00 -4.28 0.61 0.00 0.52 0.00 0.00 34.95 31.80 3hf9 s ARG 220 CO 0.00 -1.59 1.80 0.00 0.02 0.00 0.00 175.30 175.53 3hf9 h ALA 221 N 9.22 1.30 -2.42 2.13 0.00 -1.58 -3.45 119.26 124.46 3hf9 h ALA 221 Ca -0.28 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 53.78 3hf9 h ALA 221 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3hf9 h ALA 221 CO 1.11 0.48 0.56 0.12 0.00 0.00 0.00 179.25 181.52 3hf9 s PHE 222 N -4.43 3.41 -0.14 0.00 5.36 -1.26 -2.23 117.98 118.70 3hf9 s PHE 222 Ca -0.05 1.35 -0.08 0.00 -0.96 0.00 0.00 56.93 57.19 3hf9 s PHE 222 Cb 0.14 -3.36 0.05 0.00 -0.34 0.00 0.00 43.02 39.51 3hf9 s PHE 222 CO 0.75 -1.04 0.34 0.50 -1.46 0.00 0.00 175.22 174.31 3hf9 s ARG 223 N 1.38 0.33 0.69 10.12 3.52 0.17 -4.99 118.95 130.17 3hf9 s ARG 223 Ca 0.57 0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 56.78 3hf9 s ARG 223 Cb -0.26 -0.02 0.10 0.00 -1.56 0.00 0.00 34.95 33.20 3hf9 s ARG 223 CO 0.27 -0.14 0.97 1.03 -0.81 0.00 0.00 175.30 176.61 3hf9 s ARG 224 N 1.14 1.91 -0.22 5.12 0.52 -1.26 0.15 118.95 126.31 3hf9 s ARG 224 Ca -0.08 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 3hf9 s ARG 224 Cb -0.08 -2.30 0.08 0.00 0.52 0.00 0.00 34.95 33.17 3hf9 s ARG 224 CO -0.09 -1.30 0.13 0.42 0.02 0.00 0.00 175.30 174.48 3hf9 s ILE 225 N -3.12 -0.12 -0.26 1.52 1.01 -1.00 -4.80 121.20 114.43 3hf9 s ILE 225 Ca 0.63 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 3hf9 s ILE 225 Cb -0.07 -0.75 -0.12 0.00 0.01 0.00 0.00 42.46 41.53 3hf9 s ILE 225 CO 0.44 -0.45 -0.32 0.41 0.00 0.00 0.00 174.94 175.01 3hf9 n THR 226 N 5.27 1.43 0.00 2.92 -1.04 -1.26 -4.45 114.28 117.15 3hf9 n THR 226 Ca -0.06 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 3hf9 n THR 226 Cb 0.46 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3hf9 n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hf9 n GLY 227 N 1.46 3.18 0.33 3.41 0.00 -1.26 -4.82 105.19 107.48 3hf9 n GLY 227 Ca -0.51 -0.39 0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.00 -0.08 1.61 0.02 -1.99 -0.95 113.55 112.16 3hf9 h SER 228 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3hf9 h SER 228 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3hf9 h SER 228 CO 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 175.66 3hf9 h ALA 229 N 1.82 0.11 -0.73 3.77 0.00 -1.96 -3.11 119.26 119.17 3hf9 h ALA 229 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hf9 h ALA 229 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hf9 h ALA 229 CO -0.00 -0.14 0.33 1.25 0.00 0.00 0.00 179.25 180.69 3hf9 h LEU 230 N -0.21 0.95 0.00 0.00 5.85 -1.49 -3.49 115.31 116.92 3hf9 h LEU 230 Ca 0.02 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hf9 h LEU 230 Cb 0.47 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3hf9 h LEU 230 CO 0.01 0.82 0.00 1.67 -0.34 0.00 0.00 178.44 180.60