#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 h GLN 11 N 0.00 0.00 -0.60 5.31 1.08 -2.05 0.38 115.11 119.23 3hf9 h GLN 11 Ca 0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3hf9 h GLN 11 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 3hf9 h GLN 11 CO 0.00 0.02 0.40 0.00 -0.95 0.00 0.00 178.83 178.30 3hf9 h ALA 12 N 1.98 1.90 -0.64 3.87 0.00 -2.05 2.07 119.26 126.39 3hf9 h ALA 12 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hf9 h ALA 12 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hf9 h ALA 12 CO 0.00 -0.02 0.38 1.98 0.00 0.00 0.00 179.25 181.60 3hf9 h MET 13 N 0.51 0.86 -0.86 0.00 -1.53 -0.67 0.54 114.93 113.79 3hf9 h MET 13 Ca 0.27 -0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.44 3hf9 h MET 13 Cb 0.40 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 31.22 3hf9 h MET 13 CO -0.08 0.61 0.49 0.00 0.14 0.00 0.00 176.91 178.07 3hf9 h ARG 14 N 0.88 1.18 -0.81 0.39 2.47 0.33 -1.54 114.38 117.28 3hf9 h ARG 14 Ca 0.23 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 3hf9 h ARG 14 Cb -0.03 -0.24 -0.04 0.00 -1.65 0.00 0.00 29.97 28.02 3hf9 h ARG 14 CO -0.04 0.84 0.34 1.49 0.56 0.00 0.00 179.97 183.16 3hf9 h GLU 15 N 1.19 1.20 -0.54 0.04 4.81 0.11 -2.01 114.58 119.37 3hf9 h GLU 15 Ca 0.30 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3hf9 h GLU 15 Cb -0.01 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3hf9 h GLU 15 CO -0.05 0.96 0.22 0.00 -0.73 0.00 0.00 179.01 179.40 3hf9 h ARG 16 N 1.17 0.80 -0.60 1.92 3.08 -0.01 -2.02 114.38 118.72 3hf9 h ARG 16 Ca 0.27 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3hf9 h ARG 16 Cb 0.19 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3hf9 h ARG 16 CO -0.03 0.70 0.22 1.03 -1.07 0.00 0.00 179.97 180.83 3hf9 h SER 17 N 0.73 0.86 -0.71 7.04 0.87 -1.08 -1.54 113.55 119.72 3hf9 h SER 17 Ca 0.18 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3hf9 h SER 17 Cb 0.20 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3hf9 h SER 17 CO -0.01 0.81 0.25 -0.08 -0.53 0.00 0.00 176.83 177.27 3hf9 h GLU 18 N 0.85 1.08 -0.69 2.24 4.81 -1.25 -1.59 114.58 120.03 3hf9 h GLU 18 Ca 0.20 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3hf9 h GLU 18 Cb 0.24 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3hf9 h GLU 18 CO -0.01 0.91 0.29 1.25 -0.73 0.00 0.00 179.01 180.72 3hf9 h LEU 19 N 1.03 0.95 -0.58 1.64 6.46 -1.11 -1.91 115.31 121.78 3hf9 h LEU 19 Ca 0.23 -0.16 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 3hf9 h LEU 19 Cb 0.26 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 3hf9 h LEU 19 CO -0.01 0.85 0.09 0.00 -0.62 0.00 0.00 178.44 178.74 3hf9 h ALA 20 N 1.14 0.77 -0.60 1.25 0.00 -1.00 -3.01 119.26 117.81 3hf9 h ALA 20 Ca 0.23 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hf9 h ALA 20 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hf9 h ALA 20 CO -0.02 0.53 0.06 -0.09 0.00 0.00 0.00 179.25 179.73 3hf9 h ARG 21 N 0.86 1.01 -0.95 0.00 2.43 -1.06 -2.86 114.38 113.81 3hf9 h ARG 21 Ca 0.18 -0.29 0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3hf9 h ARG 21 Cb 0.43 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 3hf9 h ARG 21 CO 0.01 0.97 0.61 0.87 -1.51 0.00 0.00 179.97 180.92 3hf9 h LYS 22 N 0.91 0.92 -0.05 0.20 1.57 -1.22 0.44 116.57 119.35 3hf9 h LYS 22 Ca 0.18 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 3hf9 h LYS 22 Cb 0.47 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3hf9 h LYS 22 CO 0.02 0.61 -0.66 0.78 -0.57 0.00 0.00 179.45 179.62 3hf9 h GLY 23 N 0.95 0.23 1.17 3.86 0.00 -1.47 -2.72 103.07 105.09 3hf9 h GLY 23 Ca 0.45 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 47.22 3hf9 h GLY 23 CO -0.21 0.28 -0.99 -2.22 0.00 0.00 0.00 176.54 173.39 3hf9 h ILE 24 N 0.15 1.29 0.00 2.60 2.04 -1.16 -2.97 117.51 119.46 3hf9 h ILE 24 Ca -0.01 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.64 3hf9 h ILE 24 Cb 1.19 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3hf9 h ILE 24 CO 0.10 0.68 0.05 0.00 0.00 0.00 0.00 178.15 178.98 3hf9 n ALA 25 N -2.64 0.92 -0.02 1.87 0.00 0.08 -0.83 120.51 119.89 3hf9 n ALA 25 Ca -0.11 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 3hf9 n ALA 25 Cb 0.86 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 3hf9 n ALA 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hf9 n ARG 26 N -1.60 0.64 -2.29 0.00 3.00 -1.03 -4.27 116.66 111.10 3hf9 n ARG 26 Ca -0.00 0.20 -0.26 0.00 -0.00 0.00 0.00 57.85 57.78 3hf9 n ARG 26 Cb 0.05 -1.73 0.05 0.00 0.00 0.00 0.00 32.46 30.83 3hf9 n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hf9 s ALA 27 N -2.69 3.24 0.43 5.13 0.00 -0.82 -4.84 121.76 122.20 3hf9 s ALA 27 Ca -0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 3hf9 s ALA 27 Cb 0.08 -2.59 -0.09 0.00 0.00 0.00 0.00 23.12 20.52 3hf9 s ALA 27 CO 0.83 -1.05 0.87 0.15 0.00 0.00 0.00 175.76 176.56 3hf9 s LYS 28 N -5.12 3.99 0.54 0.00 1.02 -1.26 -1.18 119.74 117.73 3hf9 s LYS 28 Ca 0.57 0.82 -0.13 0.00 0.02 0.00 0.00 55.97 57.25 3hf9 s LYS 28 Cb -0.11 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 3hf9 s LYS 28 CO 0.45 -0.06 0.96 -1.12 -0.92 0.00 0.00 175.35 174.65 3hf9 s SER 29 N -2.70 6.43 -0.00 2.83 0.01 -1.26 -4.49 113.70 114.51 3hf9 s SER 29 Ca 0.57 1.41 0.03 0.00 1.31 0.00 0.00 55.95 59.26 3hf9 s SER 29 Cb -0.10 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 3hf9 s SER 29 CO 0.24 -0.67 -0.10 -0.69 0.41 0.00 0.00 173.24 172.43 3hf9 s VAL 30 N -2.82 0.77 -0.04 3.43 1.01 0.24 -2.91 120.40 120.07 3hf9 s VAL 30 Ca 0.55 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3hf9 s VAL 30 Cb -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3hf9 s VAL 30 CO 0.41 0.18 -0.25 -0.69 0.00 0.00 0.00 175.10 174.75 3hf9 s VAL 31 N -0.31 2.13 -0.07 2.92 1.01 -0.18 -0.37 120.40 125.54 3hf9 s VAL 31 Ca 0.03 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.98 3hf9 s VAL 31 Cb -0.04 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3hf9 s VAL 31 CO -0.00 0.57 -0.14 0.00 0.00 0.00 0.00 175.10 175.53 3hf9 s ALA 32 N -0.36 1.41 -0.00 5.51 0.00 -0.42 -1.31 121.76 126.59 3hf9 s ALA 32 Ca 0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 3hf9 s ALA 32 Cb -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3hf9 s ALA 32 CO 0.02 0.15 0.13 -0.48 0.00 0.00 0.00 175.76 175.57 3hf9 s LEU 33 N 0.60 1.59 0.31 0.00 2.34 -0.62 0.18 118.68 123.08 3hf9 s LEU 33 Ca -0.15 -0.17 -0.28 0.00 0.06 0.00 0.00 54.13 53.59 3hf9 s LEU 33 Cb -0.16 0.61 -0.09 0.00 -0.56 0.00 0.00 46.19 45.98 3hf9 s LEU 33 CO 0.05 -0.32 1.08 0.00 -1.06 0.00 0.00 176.35 176.09 3hf9 s ALA 34 N -1.20 3.31 0.24 1.48 0.00 -0.25 -0.74 121.76 124.60 3hf9 s ALA 34 Ca -0.13 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 3hf9 s ALA 34 Cb -0.07 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3hf9 s ALA 34 CO 0.01 -0.16 0.32 1.52 0.00 0.00 0.00 175.76 177.45 3hf9 s TYR 35 N -1.30 0.83 0.23 0.00 -0.85 -0.33 -4.58 117.35 111.36 3hf9 s TYR 35 Ca 0.48 -1.10 -0.08 0.00 -0.52 0.00 0.00 57.07 55.85 3hf9 s TYR 35 Cb -0.29 -0.20 0.22 0.00 0.38 0.00 0.00 41.96 42.08 3hf9 s TYR 35 CO 0.37 -0.85 1.91 0.00 -1.52 0.00 0.00 175.55 175.46 3hf9 h ALA 36 N 2.40 1.15 -0.71 9.51 0.00 -1.62 -2.62 119.26 127.36 3hf9 h ALA 36 Ca -0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3hf9 h ALA 36 Cb 1.25 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hf9 h ALA 36 CO 0.43 0.53 0.27 0.78 0.00 0.00 0.00 179.25 181.26 3hf9 h GLY 37 N 1.21 1.15 0.00 0.00 0.00 -1.93 -3.47 103.07 100.03 3hf9 h GLY 37 Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hf9 h GLY 37 CO -0.08 0.60 0.00 0.61 0.00 0.00 0.00 176.54 177.68 3hf9 n GLY 38 N -0.83 -0.18 3.21 4.60 0.00 -0.99 -1.17 105.19 109.83 3hf9 n GLY 38 Ca 0.06 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 1.52 -0.13 1.61 1.01 -0.52 -1.19 120.40 122.70 3hf9 s VAL 39 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3hf9 s VAL 39 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3hf9 s VAL 39 CO 0.00 0.33 -0.13 -0.22 0.00 0.00 0.00 175.10 175.08 3hf9 s LEU 40 N -0.70 2.71 -0.19 3.92 2.96 0.08 -0.09 118.68 127.37 3hf9 s LEU 40 Ca 0.07 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3hf9 s LEU 40 Cb -0.08 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3hf9 s LEU 40 CO 0.00 0.15 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.78 3hf9 s PHE 41 N 0.41 2.97 -0.07 5.38 0.08 0.97 -1.59 117.98 126.12 3hf9 s PHE 41 Ca -0.10 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.32 3hf9 s PHE 41 Cb -0.16 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 3hf9 s PHE 41 CO 0.05 -0.31 -0.06 0.08 -0.10 0.00 0.00 175.22 174.87 3hf9 s VAL 42 N 0.96 0.80 0.02 -0.44 1.01 -0.43 -1.72 120.40 120.60 3hf9 s VAL 42 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3hf9 s VAL 42 Cb -0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3hf9 s VAL 42 CO 0.01 0.31 -0.04 0.00 0.00 0.00 0.00 175.10 175.37 3hf9 s ALA 43 N 1.27 0.27 -0.58 5.51 0.00 -0.60 -1.01 121.76 126.63 3hf9 s ALA 43 Ca -0.04 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 3hf9 s ALA 43 Cb -0.14 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.15 3hf9 s ALA 43 CO -0.02 -0.08 0.73 -1.83 0.00 0.00 0.00 175.76 174.56 3hf9 s GLU 44 N -1.22 3.09 -0.21 0.00 -1.05 -1.15 -0.47 118.70 117.68 3hf9 s GLU 44 Ca -0.11 -1.09 0.01 0.00 -0.15 0.00 0.00 54.97 53.63 3hf9 s GLU 44 Cb -0.08 -4.21 0.05 0.00 -0.44 0.00 0.00 34.13 29.45 3hf9 s GLU 44 CO -0.00 -1.49 -0.07 1.21 0.95 0.00 0.00 175.26 175.86 3hf9 s ASN 45 N 3.34 3.53 0.15 0.83 2.47 -0.57 -4.72 114.94 119.96 3hf9 s ASN 45 Ca 0.15 -1.00 -0.11 0.00 0.42 0.00 0.00 52.86 52.32 3hf9 s ASN 45 Cb -0.21 -1.14 -0.01 0.00 -1.45 0.00 0.00 41.25 38.44 3hf9 s ASN 45 CO 0.09 -0.20 1.54 -0.65 -3.72 0.00 0.00 177.10 174.16 3hf9 h PRO 46 N 7.99 0.92 -6.94 0.43 0.10 -1.88 -3.32 132.00 129.29 3hf9 h PRO 46 Ca -0.22 -0.38 -0.53 0.00 0.10 0.00 0.00 66.00 64.97 3hf9 h PRO 46 Cb 1.09 -0.04 0.09 0.00 0.10 0.00 0.00 31.00 32.24 3hf9 h PRO 46 CO 0.43 1.04 0.65 0.45 0.10 0.00 0.00 178.00 180.66 3hf9 s SER 47 N -6.60 6.31 0.20 -2.05 0.15 -1.26 -4.88 113.70 105.57 3hf9 s SER 47 Ca -0.12 2.75 0.24 0.00 0.70 0.00 0.00 55.95 59.52 3hf9 s SER 47 Cb 0.11 -2.65 0.47 0.00 -1.71 0.00 0.00 66.02 62.24 3hf9 s SER 47 CO 0.85 -0.86 1.48 0.08 1.20 0.00 0.00 173.24 176.00 3hf9 h ARG 48 N 2.76 0.00 0.00 5.44 0.11 -1.96 -3.40 114.38 117.33 3hf9 h ARG 48 Ca -0.50 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.55 3hf9 h ARG 48 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3hf9 h ARG 48 CO 0.63 0.00 -1.21 -1.13 0.10 0.00 0.00 179.97 178.36 3hf9 n SER 49 N -2.35 4.14 -4.51 0.08 3.41 -1.26 -4.96 113.62 108.17 3hf9 n SER 49 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.29 3hf9 n SER 49 Cb 0.46 0.87 -0.12 0.00 -0.26 0.00 0.00 64.21 65.16 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 -3.77 3.54 -0.09 1.04 1.43 -1.26 -5.08 118.68 114.48 3hf9 s LEU 50 Ca -0.02 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3hf9 s LEU 50 Cb 0.02 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3hf9 s LEU 50 CO 0.15 0.04 -0.08 -1.10 0.23 0.00 0.00 176.35 175.59 3hf9 s GLN 51 N 1.16 2.97 0.05 1.70 -0.21 -1.26 -4.83 119.66 119.24 3hf9 s GLN 51 Ca 0.04 -0.58 0.23 0.00 0.02 0.00 0.00 55.36 55.07 3hf9 s GLN 51 Cb -0.14 -2.63 -0.00 0.00 1.00 0.00 0.00 33.01 31.24 3hf9 s GLN 51 CO 0.03 0.52 0.97 1.63 -2.12 0.00 0.00 175.29 176.33 3hf9 n LYS 52 N 2.64 0.33 -4.34 2.91 5.02 -1.26 -4.94 118.16 118.53 3hf9 n LYS 52 Ca -0.18 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 55.87 3hf9 n LYS 52 Cb 0.53 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 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 -3.23 1.88 -0.23 -0.18 1.01 -1.26 -1.30 121.20 117.89 3hf9 s ILE 53 Ca 0.02 -1.86 -0.30 0.00 0.00 0.00 0.00 60.65 58.51 3hf9 s ILE 53 Cb 0.14 -1.83 0.16 0.00 0.01 0.00 0.00 42.46 40.94 3hf9 s ILE 53 CO 0.81 -0.23 1.22 -0.55 0.00 0.00 0.00 174.94 176.19 3hf9 s SER 54 N -2.51 -0.16 0.58 3.58 0.15 -0.55 -5.00 113.70 109.78 3hf9 s SER 54 Ca 0.15 0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.80 3hf9 s SER 54 Cb -0.07 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.33 3hf9 s SER 54 CO 0.07 -0.17 1.04 -0.70 1.20 0.00 0.00 173.24 174.68 3hf9 s GLU 55 N -1.23 3.47 0.00 5.44 2.12 -1.26 -1.15 118.70 126.10 3hf9 s GLU 55 Ca 0.05 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.51 3hf9 s GLU 55 Cb -0.01 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.32 3hf9 s GLU 55 CO -0.04 -0.68 0.00 1.28 -0.54 0.00 0.00 175.26 175.28 3hf9 n LEU 56 N -1.97 0.60 0.00 2.70 4.77 -0.66 -4.76 117.00 117.67 3hf9 n LEU 56 Ca 0.08 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 3hf9 n LEU 56 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3hf9 n LEU 56 CO 0.47 0.04 0.05 0.00 -1.33 0.00 0.00 177.39 176.62 3hf9 n TYR 57 N -2.78 -0.79 -0.07 -1.77 9.36 -0.74 -4.67 117.16 115.69 3hf9 n TYR 57 Ca 0.00 -0.40 -0.08 0.00 3.32 0.00 0.00 57.90 60.74 3hf9 n TYR 57 Cb 0.42 0.12 -0.01 0.00 -0.63 0.00 0.00 39.34 39.23 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3hf9 h ASP 58 N 0.35 0.20 -0.25 2.98 3.32 -1.96 -3.24 116.42 117.82 3hf9 h ASP 58 Ca -0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hf9 h ASP 58 Cb 0.22 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hf9 h ASP 58 CO 0.07 0.15 0.00 0.54 -1.72 0.00 0.00 179.24 178.28 3hf9 n ARG 59 N -4.97 2.05 -5.05 3.56 5.12 -1.26 -0.53 116.66 115.58 3hf9 n ARG 59 Ca -0.01 -1.78 -0.30 0.00 -1.93 0.00 0.00 57.85 53.83 3hf9 n ARG 59 Cb 0.07 -1.27 -0.17 0.00 -1.16 0.00 0.00 32.46 29.92 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 -1.01 1.81 0.45 1.55 0.11 -1.23 -1.61 120.40 120.48 3hf9 s VAL 60 Ca 0.21 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 3hf9 s VAL 60 Cb 0.12 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 33.38 3hf9 s VAL 60 CO 0.17 0.50 0.30 -0.83 -3.33 0.00 0.00 175.10 171.91 3hf9 s GLY 61 N 0.39 2.31 -0.05 6.54 0.00 -0.11 -1.66 107.32 114.74 3hf9 s GLY 61 Ca -0.17 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 42.76 3hf9 s GLY 61 CO 0.07 -1.86 0.12 -0.12 0.00 0.00 0.00 173.10 171.31 3hf9 s PHE 62 N -2.61 -0.12 0.02 1.90 2.19 -0.30 -1.40 117.98 117.66 3hf9 s PHE 62 Ca 0.40 0.38 0.02 0.00 0.33 0.00 0.00 56.93 58.06 3hf9 s PHE 62 Cb -0.00 -0.08 -0.01 0.00 -1.31 0.00 0.00 43.02 41.61 3hf9 s PHE 62 CO 0.23 -0.13 -0.07 0.00 1.83 0.00 0.00 175.22 177.08 3hf9 s ALA 63 N 0.91 0.54 0.13 11.12 0.00 -0.78 -1.49 121.76 132.19 3hf9 s ALA 63 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3hf9 s ALA 63 Cb -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3hf9 s ALA 63 CO -0.04 0.06 0.01 0.00 0.00 0.00 0.00 175.76 175.79 3hf9 s ALA 64 N -0.72 1.00 0.02 0.00 0.00 -0.42 -0.28 121.76 121.37 3hf9 s ALA 64 Ca -0.03 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.46 3hf9 s ALA 64 Cb -0.06 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3hf9 s ALA 64 CO 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 175.76 175.33 3hf9 s ALA 65 N -3.85 0.22 0.00 0.00 0.00 -0.77 -4.84 121.76 112.51 3hf9 s ALA 65 Ca 0.20 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3hf9 s ALA 65 Cb 0.07 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3hf9 s ALA 65 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3hf9 n GLY 66 N 1.61 0.53 3.66 0.00 0.00 -1.26 -2.09 105.19 107.63 3hf9 n GLY 66 Ca -0.23 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.38 4.17 0.06 1.61 2.20 -0.86 -4.94 119.74 121.60 3hf9 s LYS 67 Ca 0.00 1.85 -0.18 0.00 -0.36 0.00 0.00 55.97 57.28 3hf9 s LYS 67 Cb 0.00 -3.87 -0.08 0.00 -1.51 0.00 0.00 37.83 32.37 3hf9 s LYS 67 CO 0.00 -0.81 1.29 0.35 -0.36 0.00 0.00 175.35 175.82 3hf9 h PHE 68 N 8.92 -0.82 -1.01 4.03 3.57 -1.96 -2.06 116.94 127.61 3hf9 h PHE 68 Ca -0.32 0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.50 3hf9 h PHE 68 Cb 1.13 0.35 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 3hf9 h PHE 68 CO 0.84 -0.32 0.83 -2.95 -2.23 0.00 0.00 178.31 174.49 3hf9 h ASN 69 N -0.40 0.00 0.01 0.41 -1.07 -1.98 0.45 115.58 113.00 3hf9 h ASN 69 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.34 3hf9 h ASN 69 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 3hf9 h ASN 69 CO -0.16 0.00 -0.12 -0.33 0.07 0.00 0.00 177.43 176.89 3hf9 h GLU 70 N 0.00 0.07 0.00 4.14 5.08 -1.79 -3.08 114.58 119.01 3hf9 h GLU 70 Ca 0.48 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.59 3hf9 h GLU 70 Cb 2.13 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.38 3hf9 h GLU 70 CO -0.01 0.89 -0.98 0.27 -1.00 0.00 0.00 179.01 178.18 3hf9 h PHE 71 N -0.71 0.00 0.03 4.33 -5.15 -0.55 -2.65 116.94 112.24 3hf9 h PHE 71 Ca -0.02 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.75 3hf9 h PHE 71 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.11 3hf9 h PHE 71 CO 0.21 0.67 -0.02 0.22 -2.00 0.00 0.00 178.31 177.40 3hf9 h ASP 72 N 0.00 -0.04 -0.06 -0.68 3.58 -0.37 0.10 116.42 118.96 3hf9 h ASP 72 Ca -0.08 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.22 3hf9 h ASP 72 Cb 1.58 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 3hf9 h ASP 72 CO 0.07 0.13 -0.04 -1.13 -2.88 0.00 0.00 179.24 175.40 3hf9 h ASN 73 N -0.20 -0.15 -0.78 2.28 -1.24 -1.58 -0.97 115.58 112.94 3hf9 h ASN 73 Ca -0.00 0.02 0.15 0.00 0.71 0.00 0.00 56.30 57.18 3hf9 h ASN 73 Cb 0.19 0.06 -0.15 0.00 0.73 0.00 0.00 38.32 39.15 3hf9 h ASN 73 CO 0.01 -0.02 -0.20 0.18 -1.29 0.00 0.00 177.43 176.11 3hf9 n LEU 74 N -3.10 -0.29 -0.24 0.34 4.77 -1.00 0.30 117.00 117.78 3hf9 n LEU 74 Ca 0.00 1.34 0.02 0.00 -0.03 0.00 0.00 56.01 57.34 3hf9 n LEU 74 Cb 0.02 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 40.85 3hf9 n LEU 74 CO -0.01 -1.28 1.03 -0.09 -1.33 0.00 0.00 177.39 175.71 3hf9 h ARG 75 N 0.00 0.49 -0.34 3.23 2.43 0.44 0.14 114.38 120.77 3hf9 h ARG 75 Ca 0.37 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 3hf9 h ARG 75 Cb 0.56 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3hf9 h ARG 75 CO -0.80 0.32 0.03 0.00 -1.51 0.00 0.00 179.97 178.02 3hf9 h ARG 76 N 0.50 0.57 -0.70 0.20 3.08 0.10 -1.31 114.38 116.83 3hf9 h ARG 76 Ca 0.35 -0.17 0.10 0.00 0.07 0.00 0.00 59.98 60.34 3hf9 h ARG 76 Cb 0.44 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 3hf9 h ARG 76 CO -0.32 0.67 0.33 0.78 -1.07 0.00 0.00 179.97 180.36 3hf9 h GLY 77 N 0.40 1.05 0.90 0.04 0.00 -0.73 -0.90 103.07 103.82 3hf9 h GLY 77 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3hf9 h GLY 77 CO 0.01 0.02 -0.08 -1.33 0.00 0.00 0.00 176.54 175.16 3hf9 h GLY 78 N 0.55 -0.18 0.22 4.60 0.00 -0.55 -1.24 103.07 106.47 3hf9 h GLY 78 Ca 0.35 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.79 3hf9 h GLY 78 CO -0.30 -0.09 -0.48 -2.22 0.00 0.00 0.00 176.54 173.45 3hf9 h ILE 79 N -0.19 0.07 -0.07 2.60 2.04 -0.72 0.12 117.51 121.35 3hf9 h ILE 79 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3hf9 h ILE 79 Cb 0.18 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 3hf9 h ILE 79 CO -0.02 0.00 -0.45 1.56 0.00 0.00 0.00 178.15 179.25 3hf9 h GLN 80 N -0.73 -0.53 -0.43 2.37 1.08 -0.99 -0.02 115.11 115.86 3hf9 h GLN 80 Ca 0.00 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 3hf9 h GLN 80 Cb 0.74 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 28.20 3hf9 h GLN 80 CO -0.25 -0.36 -0.50 0.35 -0.95 0.00 0.00 178.83 177.12 3hf9 h PHE 81 N -0.55 -1.50 -0.24 2.96 3.57 -0.94 -0.42 116.94 119.81 3hf9 h PHE 81 Ca 0.05 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3hf9 h PHE 81 Cb 0.66 0.71 -0.07 0.00 2.79 0.00 0.00 35.95 40.04 3hf9 h PHE 81 CO -0.48 -0.47 -0.47 0.00 -2.23 0.00 0.00 178.31 174.66 3hf9 h ALA 82 N 0.20 -0.65 -0.59 2.41 0.00 0.12 -1.22 119.26 119.53 3hf9 h ALA 82 Ca 0.11 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3hf9 h ALA 82 Cb 0.59 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 3hf9 h ALA 82 CO -0.60 -0.97 0.33 -0.44 0.00 0.00 0.00 179.25 177.57 3hf9 h ASP 83 N -0.46 0.51 -0.43 0.00 3.32 -0.56 -0.34 116.42 118.45 3hf9 h ASP 83 Ca 0.08 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.24 3hf9 h ASP 83 Cb 0.63 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 3hf9 h ASP 83 CO -0.48 0.34 -0.05 0.74 -1.72 0.00 0.00 179.24 178.07 3hf9 h THR 84 N 0.64 0.62 -0.33 0.35 2.02 -0.63 -0.96 112.91 114.63 3hf9 h THR 84 Ca 0.25 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 3hf9 h THR 84 Cb 0.11 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3hf9 h THR 84 CO -0.15 0.01 0.18 0.03 0.37 0.00 0.00 175.52 175.97 3hf9 h ARG 85 N 0.06 0.45 -0.50 6.66 2.47 -0.16 -1.41 114.38 121.95 3hf9 h ARG 85 Ca 0.21 -0.05 0.10 0.00 -1.26 0.00 0.00 59.98 58.98 3hf9 h ARG 85 Cb 0.31 -0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 28.46 3hf9 h ARG 85 CO -0.39 0.37 -0.04 0.78 0.56 0.00 0.00 179.97 181.25 3hf9 h GLY 86 N 0.41 0.46 1.43 0.04 0.00 -0.86 0.65 103.07 105.20 3hf9 h GLY 86 Ca 0.12 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 3hf9 h GLY 86 CO -0.02 -0.16 -0.16 -1.82 0.00 0.00 0.00 176.54 174.38 3hf9 h TYR 87 N 0.07 0.74 -0.00 5.60 3.20 -0.70 -3.07 116.97 122.81 3hf9 h TYR 87 Ca 0.25 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3hf9 h TYR 87 Cb 0.38 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3hf9 h TYR 87 CO -0.35 0.79 -0.50 0.00 -1.64 0.00 0.00 178.16 176.46 3hf9 n ALA 88 N -2.49 3.59 -2.53 1.82 0.00 -0.57 -4.92 120.51 115.41 3hf9 n ALA 88 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3hf9 n ALA 88 Cb 0.38 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.18 0.00 -1.81 0.00 4.01 0.18 -5.06 117.16 113.31 3hf9 n TYR 89 Ca 0.07 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.52 3hf9 n TYR 89 Cb 0.35 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.47 3hf9 n TYR 89 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hf9 s ASP 90 N 1.00 4.43 0.12 7.72 1.01 -1.26 -4.95 116.67 124.74 3hf9 s ASP 90 Ca 0.00 0.89 0.09 0.00 0.71 0.00 0.00 52.55 54.24 3hf9 s ASP 90 Cb 0.00 -1.45 -0.18 0.00 1.01 0.00 0.00 42.92 42.30 3hf9 s ASP 90 CO 0.00 -1.96 1.22 -0.09 0.21 0.00 0.00 175.17 174.55 3hf9 h ARG 91 N -1.09 0.00 0.00 8.23 2.43 -1.89 -3.34 114.38 118.72 3hf9 h ARG 91 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3hf9 h ARG 91 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3hf9 h ARG 91 CO 0.65 0.87 0.00 0.54 -1.51 0.00 0.00 179.97 180.51 3hf9 n ARG 92 N -3.29 0.46 0.21 0.20 1.74 -1.26 -3.09 116.66 111.62 3hf9 n ARG 92 Ca -0.02 0.05 0.06 0.00 -0.77 0.00 0.00 57.85 57.17 3hf9 n ARG 92 Cb 0.93 -1.50 0.44 0.00 -1.02 0.00 0.00 32.46 31.30 3hf9 n ARG 92 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3hf9 h ASP 93 N 0.00 0.00 -2.94 0.55 3.58 -1.93 -3.42 116.42 112.27 3hf9 h ASP 93 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 3hf9 h ASP 93 Cb 0.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3hf9 h ASP 93 CO 0.00 0.31 0.86 -0.69 -2.88 0.00 0.00 179.24 176.84 3hf9 s VAL 94 N -3.97 4.20 0.11 2.25 1.01 -1.18 -4.98 120.40 117.84 3hf9 s VAL 94 Ca -0.02 1.48 0.05 0.00 0.00 0.00 0.00 61.98 63.49 3hf9 s VAL 94 Cb 0.13 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3hf9 s VAL 94 CO 0.68 -0.09 -0.12 0.42 0.00 0.00 0.00 175.10 175.99 3hf9 s THR 95 N 3.14 1.11 0.23 3.92 -4.23 -1.26 -4.99 115.64 113.55 3hf9 s THR 95 Ca 0.57 -1.71 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3hf9 s THR 95 Cb -0.24 -1.47 0.20 0.00 1.34 0.00 0.00 72.50 72.33 3hf9 s THR 95 CO 0.18 -0.52 1.86 1.23 -0.54 0.00 0.00 174.62 176.83 3hf9 h GLY 96 N 3.47 1.28 1.00 3.99 0.00 -1.94 -0.94 103.07 109.94 3hf9 h GLY 96 Ca -0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 3hf9 h GLY 96 CO 0.53 0.54 0.37 -0.09 0.00 0.00 0.00 176.54 177.88 3hf9 h ARG 97 N 1.21 0.93 -0.51 4.80 2.43 -1.96 0.05 114.38 121.33 3hf9 h ARG 97 Ca 0.31 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3hf9 h ARG 97 Cb -0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3hf9 h ARG 97 CO -0.05 0.70 0.26 0.37 -1.51 0.00 0.00 179.97 179.73 3hf9 h GLN 98 N 0.91 0.72 -0.73 0.20 4.15 -1.78 -0.31 115.11 118.27 3hf9 h GLN 98 Ca 0.24 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 3hf9 h GLN 98 Cb 0.04 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3hf9 h GLN 98 CO -0.04 0.59 0.24 -0.07 -1.93 0.00 0.00 178.83 177.62 3hf9 h LEU 99 N 0.67 1.05 -0.75 -2.39 3.38 -0.73 -0.81 115.31 115.73 3hf9 h LEU 99 Ca 0.18 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hf9 h LEU 99 Cb 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3hf9 h LEU 99 CO -0.02 0.96 0.29 0.00 0.09 0.00 0.00 178.44 179.76 3hf9 h ALA 100 N 1.18 0.97 -0.72 1.53 0.00 -0.60 -1.75 119.26 119.87 3hf9 h ALA 100 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hf9 h ALA 100 Cb 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hf9 h ALA 100 CO -0.01 0.61 0.32 -0.97 0.00 0.00 0.00 179.25 179.20 3hf9 h ASN 101 N 1.09 0.96 -0.65 0.00 -0.73 -0.58 -1.15 115.58 114.52 3hf9 h ASN 101 Ca 0.25 -0.15 -0.07 0.00 1.87 0.00 0.00 56.30 58.20 3hf9 h ASN 101 Cb 0.23 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 3hf9 h ASN 101 CO -0.02 0.84 0.16 0.58 -0.37 0.00 0.00 177.43 178.62 3hf9 h VAL 102 N 1.01 1.26 -0.14 2.57 2.07 -0.68 -2.46 116.25 119.89 3hf9 h VAL 102 Ca 0.24 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 3hf9 h VAL 102 Cb 0.16 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3hf9 h VAL 102 CO -0.03 0.36 -0.17 1.88 0.02 0.00 0.00 177.57 179.63 3hf9 h TYR 103 N 1.01 0.44 -0.48 1.57 0.05 -1.07 -2.58 116.97 115.90 3hf9 h TYR 103 Ca 0.21 -0.14 0.09 0.00 0.05 0.00 0.00 58.73 58.94 3hf9 h TYR 103 Cb 0.36 -0.09 -0.10 0.00 1.01 0.00 0.00 36.73 37.91 3hf9 h TYR 103 CO 0.03 0.78 -0.30 0.00 -1.05 0.00 0.00 178.16 177.62 3hf9 h ALA 104 N 0.58 -0.05 -0.28 3.88 0.00 -1.20 0.52 119.26 122.72 3hf9 h ALA 104 Ca 0.02 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3hf9 h ALA 104 Cb 0.73 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 3hf9 h ALA 104 CO 0.04 -0.66 -0.13 1.96 0.00 0.00 0.00 179.25 180.46 3hf9 h GLN 105 N -0.19 -0.09 -0.34 0.00 1.08 -1.36 0.90 115.11 115.11 3hf9 h GLN 105 Ca 0.21 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3hf9 h GLN 105 Cb 0.52 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 3hf9 h GLN 105 CO -0.59 -0.06 0.18 1.15 -0.95 0.00 0.00 178.83 178.56 3hf9 h THR 106 N -0.09 1.15 -0.36 -0.54 2.02 -1.04 -0.81 112.91 113.24 3hf9 h THR 106 Ca 0.14 -0.40 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 3hf9 h THR 106 Cb 0.31 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3hf9 h THR 106 CO -0.34 0.15 -0.25 -0.07 0.37 0.00 0.00 175.52 175.38 3hf9 h LEU 107 N 0.43 0.85 -1.80 2.58 3.38 -0.73 -2.11 115.31 117.91 3hf9 h LEU 107 Ca 0.12 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3hf9 h LEU 107 Cb 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hf9 h LEU 107 CO -0.02 1.10 -0.07 1.23 0.09 0.00 0.00 178.44 180.77 3hf9 h GLY 108 N 0.60 0.04 0.36 0.83 0.00 -0.38 0.23 103.07 104.74 3hf9 h GLY 108 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3hf9 h GLY 108 CO 0.07 0.02 -0.17 -0.84 0.00 0.00 0.00 176.54 175.62 3hf9 h THR 109 N 0.03 0.06 -0.74 4.70 2.02 -1.05 -3.07 112.91 114.86 3hf9 h THR 109 Ca 0.01 -0.68 0.08 0.00 0.77 0.00 0.00 66.41 66.59 3hf9 h THR 109 Cb 0.15 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 66.56 3hf9 h THR 109 CO 0.01 0.02 -0.56 0.40 0.37 0.00 0.00 175.52 175.75 3hf9 h ILE 110 N -1.11 0.01 0.00 3.11 2.04 -1.16 0.55 117.51 120.94 3hf9 h ILE 110 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hf9 h ILE 110 Cb 0.39 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3hf9 h ILE 110 CO 0.08 0.00 0.13 0.15 0.00 0.00 0.00 178.15 178.51 3hf9 h PHE 111 N -0.17 0.00 0.00 1.37 3.57 -0.65 -2.25 116.94 118.81 3hf9 h PHE 111 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3hf9 h PHE 111 Cb 0.50 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 3hf9 h PHE 111 CO -0.89 0.00 -0.70 2.41 -2.23 0.00 0.00 178.31 176.90 3hf9 n THR 112 N -2.27 1.31 -1.27 4.41 -1.04 -0.17 -4.77 114.28 110.48 3hf9 n THR 112 Ca -0.01 0.20 -0.23 0.00 -2.04 0.00 0.00 64.05 61.98 3hf9 n THR 112 Cb 0.17 -1.96 0.17 0.00 -1.82 0.00 0.00 70.33 66.89 3hf9 n THR 112 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3hf9 n GLU 113 N -3.97 2.24 -3.99 -2.82 2.13 0.18 -4.93 120.64 109.47 3hf9 n GLU 113 Ca -0.10 -3.06 -0.10 0.00 0.66 0.00 0.00 57.16 54.56 3hf9 n GLU 113 Cb 0.33 -2.15 -0.07 0.00 0.27 0.00 0.00 31.44 29.83 3hf9 n GLU 113 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3hf9 s GLN 114 N -3.33 1.32 0.10 5.31 0.74 -0.85 -4.90 119.66 118.05 3hf9 s GLN 114 Ca 0.56 -1.24 -0.26 0.00 0.05 0.00 0.00 55.36 54.46 3hf9 s GLN 114 Cb 0.47 0.40 -0.11 0.00 1.10 0.00 0.00 33.01 34.88 3hf9 s GLN 114 CO 0.09 -0.51 1.67 0.00 -0.55 0.00 0.00 175.29 175.99 3hf9 h ALA 115 N 2.43 -0.36 -3.73 1.58 0.00 -1.92 -3.43 119.26 113.84 3hf9 h ALA 115 Ca -0.30 -0.05 -0.43 0.00 0.00 0.00 0.00 54.91 54.13 3hf9 h ALA 115 Cb 1.24 0.27 -0.31 0.00 0.00 0.00 0.00 17.79 18.99 3hf9 h ALA 115 CO 0.44 -0.73 -0.79 0.21 0.00 0.00 0.00 179.25 178.38 3hf9 s LYS 116 N -6.11 0.99 0.43 0.00 2.20 -1.26 -5.12 119.74 110.87 3hf9 s LYS 116 Ca -0.15 -0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 54.94 3hf9 s LYS 116 Cb 0.07 -0.92 -0.08 0.00 -1.51 0.00 0.00 37.83 35.39 3hf9 s LYS 116 CO 0.65 0.08 1.16 -2.14 -0.36 0.00 0.00 175.35 174.74 3hf9 s PRO 117 N 0.33 3.90 0.06 4.03 0.02 -1.26 -4.79 135.00 137.29 3hf9 s PRO 117 Ca -0.05 1.78 -0.31 0.00 0.02 0.00 0.00 61.00 62.44 3hf9 s PRO 117 Cb -0.10 -2.52 -0.08 0.00 0.02 0.00 0.00 34.50 31.82 3hf9 s PRO 117 CO 0.01 -0.43 1.68 0.71 -0.33 0.00 0.00 177.00 178.63 3hf9 s TYR 118 N -1.50 2.32 -1.21 6.54 1.51 -1.26 -4.87 117.35 118.88 3hf9 s TYR 118 Ca 0.61 0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 56.76 3hf9 s TYR 118 Cb -0.29 -3.98 -0.04 0.00 -0.11 0.00 0.00 41.96 37.54 3hf9 s TYR 118 CO 0.36 -3.99 2.17 0.39 -1.11 0.00 0.00 175.55 173.36 3hf9 n GLU 119 N 5.81 2.41 -4.13 -0.62 1.02 -1.26 -4.71 120.64 119.15 3hf9 n GLU 119 Ca 0.16 -2.26 -0.09 0.00 -0.02 0.00 0.00 57.16 54.96 3hf9 n GLU 119 Cb 0.41 -3.09 -0.10 0.00 -0.02 0.00 0.00 31.44 28.64 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 3.76 0.26 -0.11 2.62 -7.23 -1.26 -2.03 120.40 116.40 3hf9 s VAL 120 Ca 0.52 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.78 3hf9 s VAL 120 Cb 0.14 -1.76 0.06 0.00 0.56 0.00 0.00 36.38 35.38 3hf9 s VAL 120 CO -0.01 -0.77 0.22 -0.70 -0.31 0.00 0.00 175.10 173.53 3hf9 s GLU 121 N -3.96 0.11 0.15 4.82 2.12 -0.89 -3.02 118.70 118.03 3hf9 s GLU 121 Ca 0.15 0.65 0.05 0.00 0.36 0.00 0.00 54.97 56.17 3hf9 s GLU 121 Cb 0.07 -0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 3hf9 s GLU 121 CO -0.04 -0.28 0.12 -0.51 -0.54 0.00 0.00 175.26 174.01 3hf9 s LEU 122 N 2.23 3.78 -0.20 2.70 1.02 -0.69 -1.85 118.68 125.66 3hf9 s LEU 122 Ca 0.01 -0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.02 3hf9 s LEU 122 Cb -0.12 -2.41 0.06 0.00 0.02 0.00 0.00 46.19 43.75 3hf9 s LEU 122 CO -0.07 0.09 0.01 0.00 0.02 0.00 0.00 176.35 176.40 3hf9 s VAL 124 N 1.75 5.17 0.03 0.00 1.01 -0.73 -1.87 120.40 125.76 3hf9 s VAL 124 Ca -0.02 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.74 3hf9 s VAL 124 Cb -0.17 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3hf9 s VAL 124 CO -0.07 0.21 -0.16 0.00 0.00 0.00 0.00 175.10 175.07 3hf9 s ALA 125 N 1.61 2.65 0.22 5.51 0.00 -0.49 -1.44 121.76 129.82 3hf9 s ALA 125 Ca 0.19 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 51.08 3hf9 s ALA 125 Cb -0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 3hf9 s ALA 125 CO 0.09 0.58 -0.16 -2.00 0.00 0.00 0.00 175.76 174.26 3hf9 s GLU 126 N -1.38 1.40 0.06 0.00 2.12 -0.47 -0.93 118.70 119.49 3hf9 s GLU 126 Ca 0.15 -1.61 0.01 0.00 0.36 0.00 0.00 54.97 53.87 3hf9 s GLU 126 Cb -0.11 -1.27 -0.03 0.00 0.26 0.00 0.00 34.13 32.98 3hf9 s GLU 126 CO 0.05 0.22 -0.06 0.08 -0.54 0.00 0.00 175.26 175.02 3hf9 s VAL 127 N -2.81 0.44 0.59 3.70 1.01 -0.63 -2.54 120.40 120.16 3hf9 s VAL 127 Ca 0.24 -1.44 -0.20 0.00 0.00 0.00 0.00 61.98 60.58 3hf9 s VAL 127 Cb -0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3hf9 s VAL 127 CO 0.08 -0.67 1.29 0.00 0.00 0.00 0.00 175.10 175.80 3hf9 s ALA 128 N -2.54 2.61 0.80 5.51 0.00 -1.26 -4.86 121.76 122.01 3hf9 s ALA 128 Ca -0.02 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 3hf9 s ALA 128 Cb -0.02 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.65 3hf9 s ALA 128 CO -0.03 -1.35 1.10 -1.01 0.00 0.00 0.00 175.76 174.47 3hf9 s HIS 129 N -1.42 2.39 0.22 0.00 3.76 -1.26 -4.84 115.29 114.14 3hf9 s HIS 129 Ca 0.76 1.60 -0.19 0.00 -0.15 0.00 0.00 55.06 57.09 3hf9 s HIS 129 Cb -0.36 -3.11 0.21 0.00 1.11 0.00 0.00 32.58 30.42 3hf9 s HIS 129 CO 0.40 -2.00 1.56 -0.92 -0.85 0.00 0.00 174.74 172.93 3hf9 h TYR 130 N -1.22 -1.12 -0.00 1.40 3.20 -1.81 -1.35 116.97 116.07 3hf9 h TYR 130 Ca -0.44 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3hf9 h TYR 130 Cb 1.24 0.63 0.00 0.00 1.54 0.00 0.00 36.73 40.14 3hf9 h TYR 130 CO 0.56 -0.40 -0.04 0.41 -1.64 0.00 0.00 178.16 177.05 3hf9 n GLY 131 N -1.46 -1.22 3.78 1.82 0.00 -1.26 -4.92 105.19 101.93 3hf9 n GLY 131 Ca 0.09 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3hf9 n GLY 131 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hf9 s GLU 132 N -2.60 2.20 -0.13 1.61 -1.05 -0.51 -5.13 118.70 113.10 3hf9 s GLU 132 Ca 0.27 -2.35 0.01 0.00 -0.15 0.00 0.00 54.97 52.75 3hf9 s GLU 132 Cb 0.20 -1.61 0.02 0.00 -0.44 0.00 0.00 34.13 32.30 3hf9 s GLU 132 CO 0.48 -0.39 -0.13 0.95 0.95 0.00 0.00 175.26 177.12 3hf9 s THR 133 N -2.86 1.40 -0.29 1.83 -4.23 -1.26 -4.68 115.64 105.55 3hf9 s THR 133 Ca 0.10 -0.54 -0.15 0.00 -1.18 0.00 0.00 61.69 59.91 3hf9 s THR 133 Cb 0.01 -1.32 0.12 0.00 1.34 0.00 0.00 72.50 72.65 3hf9 s THR 133 CO 0.06 0.43 0.83 -0.75 -0.54 0.00 0.00 174.62 174.64 3hf9 s LYS 134 N 1.37 0.53 0.12 3.99 2.20 -1.26 -5.08 119.74 121.61 3hf9 s LYS 134 Ca 0.01 0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 56.28 3hf9 s LYS 134 Cb -0.13 0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 36.30 3hf9 s LYS 134 CO -0.07 -0.12 1.44 1.03 -0.36 0.00 0.00 175.35 177.27 3hf9 s ARG 135 N 1.67 4.29 0.34 4.03 0.52 -1.26 -4.28 118.95 124.26 3hf9 s ARG 135 Ca -0.09 2.14 -0.24 0.00 -0.52 0.00 0.00 55.73 57.02 3hf9 s ARG 135 Cb -0.05 -3.26 -0.15 0.00 0.52 0.00 0.00 34.95 32.01 3hf9 s ARG 135 CO -0.18 -0.49 0.49 -2.30 0.02 0.00 0.00 175.30 172.85 3hf9 n PRO 136 N 4.09 0.39 -4.76 3.54 -0.02 -1.26 -4.92 135.00 132.05 3hf9 n PRO 136 Ca 0.12 0.14 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 3hf9 n PRO 136 Cb 0.41 -1.30 -0.13 0.00 -0.02 0.00 0.00 33.50 32.46 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -1.29 3.09 -0.06 -0.52 2.02 -1.05 -4.98 118.70 115.91 3hf9 s GLU 137 Ca 0.62 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.96 3hf9 s GLU 137 Cb -0.71 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 3hf9 s GLU 137 CO 0.59 0.38 -0.06 -0.51 0.02 0.00 0.00 175.26 175.68 3hf9 s LEU 138 N -0.08 3.24 0.03 1.80 1.43 -1.24 -1.37 118.68 122.49 3hf9 s LEU 138 Ca -0.01 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 3hf9 s LEU 138 Cb -0.14 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3hf9 s LEU 138 CO 0.03 0.35 -0.14 -0.31 0.23 0.00 0.00 176.35 176.52 3hf9 s TYR 139 N -0.86 1.20 -0.26 0.29 1.51 -0.52 -3.66 117.35 115.05 3hf9 s TYR 139 Ca 0.13 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3hf9 s TYR 139 Cb -0.11 -0.72 0.08 0.00 -0.11 0.00 0.00 41.96 41.10 3hf9 s TYR 139 CO 0.03 0.02 0.04 0.50 -1.11 0.00 0.00 175.55 175.03 3hf9 s ARG 140 N -1.02 0.95 -0.25 -0.62 3.52 -0.29 -1.78 118.95 119.47 3hf9 s ARG 140 Ca 0.02 -0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 54.59 3hf9 s ARG 140 Cb -0.07 -2.23 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 3hf9 s ARG 140 CO 0.01 -0.79 0.22 0.42 -0.81 0.00 0.00 175.30 174.35 3hf9 s ILE 141 N 1.60 5.31 0.56 4.11 1.09 -0.57 -2.16 121.20 131.14 3hf9 s ILE 141 Ca 0.03 0.29 0.02 0.00 -1.10 0.00 0.00 60.65 59.89 3hf9 s ILE 141 Cb -0.18 -3.56 0.04 0.00 -1.06 0.00 0.00 42.46 37.71 3hf9 s ILE 141 CO -0.15 0.29 0.78 0.42 -0.10 0.00 0.00 174.94 176.18 3hf9 s THR 142 N 1.34 2.61 -0.01 2.92 -4.23 -0.21 -1.71 115.64 116.36 3hf9 s THR 142 Ca 0.10 -0.71 0.15 0.00 -1.18 0.00 0.00 61.69 60.05 3hf9 s THR 142 Cb -0.14 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 70.94 3hf9 s THR 142 CO 0.07 0.00 1.38 0.00 -0.54 0.00 0.00 174.62 175.53 3hf9 n TYR 143 N -2.34 0.52 0.73 3.99 4.11 -1.17 -2.01 117.16 120.99 3hf9 n TYR 143 Ca 0.09 0.27 0.10 0.00 -0.00 0.00 0.00 57.90 58.36 3hf9 n TYR 143 Cb 0.60 -0.77 0.09 0.00 -0.00 0.00 0.00 39.34 39.26 3hf9 n TYR 143 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3hf9 n ASP 144 N -2.11 2.64 0.00 9.48 5.68 -1.26 -4.50 116.55 126.48 3hf9 n ASP 144 Ca -0.01 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 3hf9 n ASP 144 Cb 0.27 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3hf9 n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hf9 n GLY 145 N 1.08 0.81 3.68 6.12 0.00 -0.85 -4.06 105.19 111.97 3hf9 n GLY 145 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.31 7.12 -0.09 1.61 0.01 -1.25 -4.76 113.70 114.03 3hf9 s SER 146 Ca 0.00 1.37 0.04 0.00 1.31 0.00 0.00 55.95 58.67 3hf9 s SER 146 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3hf9 s SER 146 CO 0.00 -0.40 -0.22 -0.51 0.41 0.00 0.00 173.24 172.52 3hf9 s ILE 147 N 1.93 1.93 0.08 1.44 2.07 -1.26 -1.04 121.20 126.34 3hf9 s ILE 147 Ca 0.44 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 58.76 3hf9 s ILE 147 Cb -0.18 -1.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.71 3hf9 s ILE 147 CO 0.16 0.53 -0.10 0.00 -1.91 0.00 0.00 174.94 173.62 3hf9 s ALA 148 N 0.33 0.96 -0.51 1.50 0.00 -0.92 -4.98 121.76 118.14 3hf9 s ALA 148 Ca -0.17 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.78 3hf9 s ALA 148 Cb -0.17 0.02 0.15 0.00 0.00 0.00 0.00 23.12 23.11 3hf9 s ALA 148 CO 0.08 -0.01 0.31 0.16 0.00 0.00 0.00 175.76 176.30 3hf9 s ASP 149 N -2.11 3.82 0.79 0.00 -4.77 -1.26 -1.13 116.67 112.01 3hf9 s ASP 149 Ca 0.00 -3.03 -0.13 0.00 -3.30 0.00 0.00 52.55 46.09 3hf9 s ASP 149 Cb -0.06 -1.24 0.08 0.00 -1.09 0.00 0.00 42.92 40.61 3hf9 s ASP 149 CO 0.00 -0.21 1.19 -1.61 0.70 0.00 0.00 175.17 175.24 3hf9 s GLU 150 N -0.21 1.76 -0.00 2.11 2.02 -1.24 -4.92 118.70 118.22 3hf9 s GLU 150 Ca 0.21 1.67 0.06 0.00 0.02 0.00 0.00 54.97 56.93 3hf9 s GLU 150 Cb -0.17 -1.80 -0.07 0.00 0.10 0.00 0.00 34.13 32.19 3hf9 s GLU 150 CO -0.06 -2.10 0.26 -0.35 0.02 0.00 0.00 175.26 173.03 3hf9 n PRO 151 N -3.27 4.74 0.00 0.39 -0.05 -1.26 -3.64 135.00 131.90 3hf9 n PRO 151 Ca 0.13 -0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.58 3hf9 n PRO 151 Cb 0.51 -0.81 0.00 0.00 -0.05 0.00 0.00 33.50 33.15 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 -1.17 0.00 -3.46 0.54 8.25 -1.26 -4.89 115.22 113.23 3hf9 n HIS 152 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 3hf9 n HIS 152 Cb 0.10 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.87 -0.51 0.03 4.41 -0.12 -1.26 -1.09 117.98 117.57 3hf9 s PHE 153 Ca 0.00 0.44 0.04 0.00 -0.05 0.00 0.00 56.93 57.36 3hf9 s PHE 153 Cb 0.00 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 3hf9 s PHE 153 CO 0.00 -0.72 -0.12 0.08 -0.05 0.00 0.00 175.22 174.41 3hf9 s VAL 154 N -3.10 0.93 -0.01 -2.49 1.01 0.13 -4.83 120.40 112.03 3hf9 s VAL 154 Ca -0.00 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3hf9 s VAL 154 Cb -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 3hf9 s VAL 154 CO -0.08 -0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.18 3hf9 s VAL 155 N -0.79 1.08 0.02 2.92 1.01 -1.26 -1.30 120.40 122.08 3hf9 s VAL 155 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3hf9 s VAL 155 Cb -0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3hf9 s VAL 155 CO 0.01 0.31 -0.04 -0.04 0.00 0.00 0.00 175.10 175.33 3hf9 s MET 156 N -0.27 0.32 0.17 2.72 -1.94 0.51 -4.98 119.30 115.84 3hf9 s MET 156 Ca 0.04 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 3hf9 s MET 156 Cb -0.06 -0.13 0.00 0.00 2.01 0.00 0.00 34.83 36.65 3hf9 s MET 156 CO -0.00 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3hf9 n GLY 157 N 2.17 -2.54 7.00 -0.03 0.00 -1.26 -0.59 105.19 109.93 3hf9 n GLY 157 Ca -0.19 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.87 0.93 3.50 -0.02 0.00 -0.01 -4.20 105.19 102.52 3hf9 n GLY 158 Ca -0.02 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 4.65 0.01 2.61 -4.23 -1.26 -4.47 115.64 112.95 3hf9 s THR 159 Ca 0.00 0.01 0.10 0.00 -1.18 0.00 0.00 61.69 60.62 3hf9 s THR 159 Cb 0.00 -4.39 -0.23 0.00 1.34 0.00 0.00 72.50 69.23 3hf9 s THR 159 CO 0.00 -0.89 0.88 0.71 -0.54 0.00 0.00 174.62 174.78 3hf9 h THR 160 N 5.94 1.16 -0.13 3.99 1.35 -1.95 -3.40 112.91 119.88 3hf9 h THR 160 Ca -0.26 -2.95 0.05 0.00 -0.55 0.00 0.00 66.41 62.69 3hf9 h THR 160 Cb 1.09 2.58 -0.06 0.00 -1.73 0.00 0.00 68.15 70.02 3hf9 h THR 160 CO 1.00 0.67 -0.31 -0.33 -0.25 0.00 0.00 175.52 176.31 3hf9 h GLU 161 N 0.00 -0.37 0.00 4.72 3.07 -1.95 -0.91 114.58 119.14 3hf9 h GLU 161 Ca -0.19 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.66 3hf9 h GLU 161 Cb 1.93 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.92 3hf9 h GLU 161 CO 0.10 -0.25 -0.17 -1.35 -1.40 0.00 0.00 179.01 175.94 3hf9 h PRO 162 N -0.39 0.00 0.19 2.33 0.11 -1.91 -1.78 132.00 130.56 3hf9 h PRO 162 Ca 0.10 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.94 3hf9 h PRO 162 Cb 0.53 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.67 3hf9 h PRO 162 CO -0.34 0.17 -1.20 0.82 -0.21 0.00 0.00 178.00 177.24 3hf9 h ILE 163 N 0.00 1.35 -0.55 4.15 2.04 -1.64 -2.99 117.51 119.87 3hf9 h ILE 163 Ca -0.00 -2.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.24 3hf9 h ILE 163 Cb 0.39 3.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 3hf9 h ILE 163 CO 0.02 0.77 0.28 0.00 0.00 0.00 0.00 178.15 179.22 3hf9 h ALA 164 N 0.11 1.45 -0.13 1.87 0.00 -0.77 -1.57 119.26 120.22 3hf9 h ALA 164 Ca -0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3hf9 h ALA 164 Cb 1.91 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3hf9 h ALA 164 CO 0.20 0.44 0.04 -0.91 0.00 0.00 0.00 179.25 179.03 3hf9 h ASN 165 N 0.77 0.19 0.03 0.00 2.35 -1.41 -0.69 115.58 116.82 3hf9 h ASN 165 Ca 0.20 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3hf9 h ASN 165 Cb 0.06 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3hf9 h ASN 165 CO -0.03 0.33 -0.12 0.00 -1.65 0.00 0.00 177.43 175.97 3hf9 h ALA 166 N 0.86 -0.16 -0.02 -0.83 0.00 -1.29 -2.42 119.26 115.41 3hf9 h ALA 166 Ca 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hf9 h ALA 166 Cb 0.21 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3hf9 h ALA 166 CO -0.00 -0.62 -0.43 -0.07 0.00 0.00 0.00 179.25 178.13 3hf9 h LEU 167 N -0.21 -1.33 -0.63 0.00 3.38 -1.31 -0.43 115.31 114.78 3hf9 h LEU 167 Ca 0.03 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3hf9 h LEU 167 Cb 0.25 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 3hf9 h LEU 167 CO -0.09 -0.41 -0.36 0.29 0.09 0.00 0.00 178.44 177.95 3hf9 n LYS 168 N -4.84 -0.27 0.00 1.13 5.02 -0.27 -0.75 118.16 118.19 3hf9 n LYS 168 Ca -0.06 0.95 0.13 0.00 -2.02 0.00 0.00 58.31 57.32 3hf9 n LYS 168 Cb 0.31 -1.40 0.42 0.00 -0.02 0.00 0.00 35.03 34.34 3hf9 n LYS 168 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3hf9 n GLU 169 N -4.80 0.56 -0.10 1.97 0.28 -0.94 -3.78 120.64 113.82 3hf9 n GLU 169 Ca 0.02 -0.29 0.10 0.00 -0.16 0.00 0.00 57.16 56.83 3hf9 n GLU 169 Cb 0.17 -1.49 0.15 0.00 1.43 0.00 0.00 31.44 31.70 3hf9 n GLU 169 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3hf9 n SER 170 N -0.97 2.43 -3.95 -1.84 3.41 0.08 -4.98 113.62 107.81 3hf9 n SER 170 Ca 0.11 -3.09 -0.30 0.00 -0.26 0.00 0.00 58.87 55.32 3hf9 n SER 170 Cb 0.33 -0.44 -0.16 0.00 -0.26 0.00 0.00 64.21 63.68 3hf9 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hf9 s TYR 171 N -2.88 2.41 0.08 7.33 5.04 -0.40 -4.92 117.35 124.01 3hf9 s TYR 171 Ca 0.33 -1.75 0.04 0.00 -2.44 0.00 0.00 57.07 53.24 3hf9 s TYR 171 Cb 0.28 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.97 3hf9 s TYR 171 CO 0.03 -0.77 0.04 0.00 -1.34 0.00 0.00 175.55 173.51 3hf9 s ALA 172 N 1.39 3.42 0.87 3.97 0.00 -1.26 -4.95 121.76 125.20 3hf9 s ALA 172 Ca -0.06 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 3hf9 s ALA 172 Cb -0.19 -1.32 0.14 0.00 0.00 0.00 0.00 23.12 21.76 3hf9 s ALA 172 CO -0.06 0.72 1.22 -1.83 0.00 0.00 0.00 175.76 175.81 3hf9 s GLU 173 N -2.29 1.29 -1.03 0.00 -1.05 -1.26 -4.09 118.70 110.26 3hf9 s GLU 173 Ca 0.27 -0.29 -0.07 0.00 -0.15 0.00 0.00 54.97 54.73 3hf9 s GLU 173 Cb -0.12 -1.95 0.06 0.00 -0.44 0.00 0.00 34.13 31.68 3hf9 s GLU 173 CO 0.19 -1.97 0.30 0.09 0.95 0.00 0.00 175.26 174.83 3hf9 n ASN 174 N -3.47 -3.01 -4.74 0.83 5.03 -1.26 -4.93 115.26 103.72 3hf9 n ASN 174 Ca 0.12 -0.17 -0.31 0.00 0.87 0.00 0.00 54.58 55.09 3hf9 n ASN 174 Cb 0.60 -2.56 0.11 0.00 -1.02 0.00 0.00 39.78 36.92 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hf9 s ALA 175 N -2.71 2.02 0.97 5.41 0.00 -1.26 -4.25 121.76 121.93 3hf9 s ALA 175 Ca 0.28 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 3hf9 s ALA 175 Cb -0.15 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 19.80 3hf9 s ALA 175 CO 0.34 -2.06 1.07 0.45 0.00 0.00 0.00 175.76 175.56 3hf9 n SER 176 N -3.67 -0.18 0.20 0.00 2.88 -1.26 -2.23 113.62 109.36 3hf9 n SER 176 Ca 0.10 0.31 -0.15 0.00 -1.33 0.00 0.00 58.87 57.80 3hf9 n SER 176 Cb 0.53 -1.42 -0.08 0.00 -0.75 0.00 0.00 64.21 62.48 3hf9 n SER 176 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3hf9 h LEU 177 N -2.02 -0.38 -2.12 2.46 5.85 -1.98 -1.94 115.31 115.18 3hf9 h LEU 177 Ca -0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3hf9 h LEU 177 Cb 1.28 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3hf9 h LEU 177 CO 0.42 -0.27 -0.05 0.00 -0.34 0.00 0.00 178.44 178.20 3hf9 h THR 178 N -0.45 0.25 0.22 1.05 1.03 -1.91 0.12 112.91 113.21 3hf9 h THR 178 Ca -0.05 -0.36 -0.01 0.00 -0.01 0.00 0.00 66.41 65.98 3hf9 h THR 178 Cb 0.35 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 3hf9 h THR 178 CO 0.08 0.05 -0.11 0.44 -0.01 0.00 0.00 175.52 175.97 3hf9 h ASP 179 N 0.00 -0.25 -1.20 0.00 3.45 -1.90 -2.89 116.42 113.62 3hf9 h ASP 179 Ca -0.00 0.01 0.42 0.00 0.43 0.00 0.00 57.03 57.89 3hf9 h ASP 179 Cb 0.28 0.07 -0.14 0.00 -0.56 0.00 0.00 39.33 38.97 3hf9 h ASP 179 CO 0.01 0.15 0.74 0.00 -1.57 0.00 0.00 179.24 178.57 3hf9 h ALA 180 N -1.19 2.49 0.37 3.45 0.00 -1.00 0.27 119.26 123.65 3hf9 h ALA 180 Ca -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hf9 h ALA 180 Cb 0.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hf9 h ALA 180 CO 0.05 -1.16 -0.18 1.25 0.00 0.00 0.00 179.25 179.21 3hf9 h LEU 181 N 0.10 -0.42 0.05 0.00 5.85 -0.81 -1.26 115.31 118.81 3hf9 h LEU 181 Ca 0.82 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.45 3hf9 h LEU 181 Cb 2.38 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 43.49 3hf9 h LEU 181 CO -0.53 -0.12 -0.23 0.03 -0.34 0.00 0.00 178.44 177.25 3hf9 h ARG 182 N -0.73 -0.37 -0.78 1.25 3.08 -0.79 0.92 114.38 116.95 3hf9 h ARG 182 Ca -0.05 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.20 3hf9 h ARG 182 Cb 0.51 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 3hf9 h ARG 182 CO 0.08 -0.25 0.23 0.82 -1.07 0.00 0.00 179.97 179.79 3hf9 h ILE 183 N -0.38 0.50 -0.14 2.04 2.04 -0.58 0.37 117.51 121.36 3hf9 h ILE 183 Ca 0.05 -0.10 -0.15 0.00 1.00 0.00 0.00 64.86 65.65 3hf9 h ILE 183 Cb 0.44 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3hf9 h ILE 183 CO -0.17 0.06 -0.50 0.00 0.00 0.00 0.00 178.15 177.54 3hf9 h ALA 184 N 1.64 0.24 -0.30 1.87 0.00 -0.63 -0.41 119.26 121.68 3hf9 h ALA 184 Ca 0.45 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3hf9 h ALA 184 Cb 0.80 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hf9 h ALA 184 CO -0.52 0.42 -0.41 0.28 0.00 0.00 0.00 179.25 179.02 3hf9 h VAL 185 N 0.22 1.29 0.03 0.00 2.07 -0.19 -2.26 116.25 117.40 3hf9 h VAL 185 Ca -0.02 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3hf9 h VAL 185 Cb 1.13 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3hf9 h VAL 185 CO 0.11 0.51 -0.01 0.00 0.02 0.00 0.00 177.57 178.20 3hf9 h ALA 186 N 0.94 -0.04 -0.80 1.67 0.00 -0.25 -2.57 119.26 118.22 3hf9 h ALA 186 Ca 0.05 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 186 Cb 0.96 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3hf9 h ALA 186 CO 0.09 -0.48 0.53 0.00 0.00 0.00 0.00 179.25 179.38 3hf9 h ALA 187 N 0.86 1.97 -0.02 0.00 0.00 -0.96 -1.43 119.26 119.69 3hf9 h ALA 187 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3hf9 h ALA 187 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hf9 h ALA 187 CO 0.01 -0.18 -0.59 -0.07 0.00 0.00 0.00 179.25 178.41 3hf9 h LEU 188 N 0.54 0.08 -0.11 0.00 3.38 -1.09 -3.27 115.31 114.85 3hf9 h LEU 188 Ca 0.39 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.34 3hf9 h LEU 188 Cb 0.75 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3hf9 h LEU 188 CO -0.15 0.65 -0.37 0.03 0.09 0.00 0.00 178.44 178.69 3hf9 h ARG 189 N 0.05 -0.37 0.00 1.13 3.08 -0.87 -3.49 114.38 113.91 3hf9 h ARG 189 Ca -0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hf9 h ARG 189 Cb 1.06 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3hf9 h ARG 189 CO 0.08 -0.25 0.00 0.00 -1.07 0.00 0.00 179.97 178.73 3hf9 n ALA 190 N -2.88 0.96 0.00 0.04 0.00 -1.23 -5.09 120.51 112.31 3hf9 n ALA 190 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hf9 n ALA 190 Cb 0.26 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.48 0.00 -0.54 0.00 0.24 -1.26 -4.71 118.33 111.58 3hf9 n VAL 205 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3hf9 n VAL 205 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.00 1.55 -0.74 2.33 0.00 -1.26 -4.64 120.51 117.75 3hf9 n ALA 206 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 53.44 52.70 3hf9 n ALA 206 Cb 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 19.45 19.63 3hf9 n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hf9 n SER 207 N -0.29 3.34 -4.35 0.00 3.41 -1.26 -4.83 113.62 109.64 3hf9 n SER 207 Ca 0.00 -2.71 -0.26 0.00 -0.26 0.00 0.00 58.87 55.64 3hf9 n SER 207 Cb 0.39 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 3hf9 n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 208 N -2.27 2.34 -0.17 1.04 1.43 -1.25 -1.51 118.68 118.28 3hf9 s LEU 208 Ca 0.34 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3hf9 s LEU 208 Cb 0.26 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 3hf9 s LEU 208 CO 0.09 0.11 -0.04 -1.61 0.23 0.00 0.00 176.35 175.13 3hf9 s GLU 209 N -2.16 3.55 -0.04 1.70 2.02 0.38 -4.71 118.70 119.44 3hf9 s GLU 209 Ca 0.12 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.56 3hf9 s GLU 209 Cb -0.09 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.22 3hf9 s GLU 209 CO 0.06 0.09 -0.07 0.08 0.02 0.00 0.00 175.26 175.44 3hf9 s VAL 210 N 0.74 0.70 0.21 2.63 1.01 -1.26 -1.55 120.40 122.87 3hf9 s VAL 210 Ca -0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3hf9 s VAL 210 Cb -0.15 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3hf9 s VAL 210 CO 0.02 0.24 0.46 0.00 0.00 0.00 0.00 175.10 175.82 3hf9 s ALA 211 N 0.51 -0.47 0.02 5.51 0.00 -0.70 -1.40 121.76 125.23 3hf9 s ALA 211 Ca -0.08 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 3hf9 s ALA 211 Cb -0.11 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 3hf9 s ALA 211 CO 0.01 -0.80 0.02 0.14 0.00 0.00 0.00 175.76 175.13 3hf9 s VAL 212 N -3.95 0.11 -0.66 0.00 -7.23 -0.16 -0.02 120.40 108.49 3hf9 s VAL 212 Ca 0.16 -0.93 -0.20 0.00 -1.81 0.00 0.00 61.98 59.20 3hf9 s VAL 212 Cb -0.00 -0.44 0.09 0.00 0.56 0.00 0.00 36.38 36.59 3hf9 s VAL 212 CO 0.03 -0.51 0.86 -0.76 -0.31 0.00 0.00 175.10 174.40 3hf9 s LEU 213 N -1.60 4.96 -0.59 1.32 1.02 0.87 -1.86 118.68 122.80 3hf9 s LEU 213 Ca -0.13 -1.33 -0.27 0.00 0.02 0.00 0.00 54.13 52.42 3hf9 s LEU 213 Cb -0.07 -2.36 0.03 0.00 0.02 0.00 0.00 46.19 43.81 3hf9 s LEU 213 CO -0.01 -1.24 1.13 -0.62 0.02 0.00 0.00 176.35 175.62 3hf9 s ASP 214 N 3.63 6.37 0.00 2.29 2.15 -0.59 -1.44 116.67 129.08 3hf9 s ASP 214 Ca 0.18 -0.12 0.11 0.00 0.43 0.00 0.00 52.55 53.15 3hf9 s ASP 214 Cb -0.19 -2.52 0.59 0.00 -0.30 0.00 0.00 42.92 40.50 3hf9 s ASP 214 CO 0.06 -1.46 1.23 0.00 -0.17 0.00 0.00 175.17 174.84 3hf9 n ALA 215 N 8.27 1.73 0.00 3.66 0.00 -0.31 -1.77 120.51 132.09 3hf9 n ALA 215 Ca 0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hf9 n ALA 215 Cb 0.48 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 3hf9 n ALA 215 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3hf9 h ASN 216 N 0.00 0.18 -4.02 0.00 -1.24 -1.90 -3.42 115.58 105.18 3hf9 h ASN 216 Ca 0.00 -0.35 -0.53 0.00 0.71 0.00 0.00 56.30 56.13 3hf9 h ASN 216 Cb 0.09 -0.06 0.10 0.00 0.73 0.00 0.00 38.32 39.18 3hf9 h ASN 216 CO 0.00 1.31 0.57 -0.13 -1.29 0.00 0.00 177.43 177.89 3hf9 s ARG 217 N -2.60 3.50 0.05 6.67 1.81 -0.73 -4.94 118.95 122.72 3hf9 s ARG 217 Ca -0.10 2.06 -0.16 0.00 -1.72 0.00 0.00 55.73 55.81 3hf9 s ARG 217 Cb 0.07 -2.39 -0.25 0.00 -0.45 0.00 0.00 34.95 31.93 3hf9 s ARG 217 CO 0.81 -0.85 1.14 -1.35 -0.68 0.00 0.00 175.30 174.37 3hf9 h PRO 218 N 1.87 0.61 0.00 3.54 0.11 -1.90 -3.43 132.00 132.81 3hf9 h PRO 218 Ca -0.50 -0.71 0.00 0.00 0.11 0.00 0.00 66.00 64.90 3hf9 h PRO 218 Cb 1.27 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.60 3hf9 h PRO 218 CO 0.59 1.30 0.00 -2.13 -0.21 0.00 0.00 178.00 177.55 3hf9 n ARG 219 N -3.92 0.00 -2.31 1.05 0.63 -1.26 -4.37 116.66 106.48 3hf9 n ARG 219 Ca -0.12 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.39 3hf9 n ARG 219 Cb 0.87 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.76 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hf9 s ARG 220 N -0.54 3.48 0.19 -0.14 0.52 -1.26 -4.44 118.95 116.75 3hf9 s ARG 220 Ca 0.00 0.91 0.12 0.00 -0.52 0.00 0.00 55.73 56.23 3hf9 s ARG 220 Cb 0.00 -4.07 -0.07 0.00 0.52 0.00 0.00 34.95 31.33 3hf9 s ARG 220 CO 0.00 -1.69 1.32 0.00 0.02 0.00 0.00 175.30 174.96 3hf9 h ALA 221 N 11.12 0.54 -2.51 2.13 0.00 -1.08 -3.46 119.26 126.00 3hf9 h ALA 221 Ca -0.28 -0.70 -0.53 0.00 0.00 0.00 0.00 54.91 53.40 3hf9 h ALA 221 Cb 1.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hf9 h ALA 221 CO 1.10 0.93 0.61 0.12 0.00 0.00 0.00 179.25 182.01 3hf9 s PHE 222 N -2.84 3.38 -0.15 0.00 5.36 -1.26 -1.54 117.98 120.93 3hf9 s PHE 222 Ca 0.02 1.21 -0.08 0.00 -0.96 0.00 0.00 56.93 57.12 3hf9 s PHE 222 Cb 0.09 -3.50 0.05 0.00 -0.34 0.00 0.00 43.02 39.32 3hf9 s PHE 222 CO 0.78 -1.59 0.36 0.50 -1.46 0.00 0.00 175.22 173.81 3hf9 s ARG 223 N 0.99 0.34 0.78 10.12 3.52 -0.78 -4.98 118.95 128.94 3hf9 s ARG 223 Ca 0.60 0.70 -0.07 0.00 -0.13 0.00 0.00 55.73 56.83 3hf9 s ARG 223 Cb -0.32 -0.05 0.12 0.00 -1.56 0.00 0.00 34.95 33.15 3hf9 s ARG 223 CO 0.30 -0.16 1.08 1.03 -0.81 0.00 0.00 175.30 176.75 3hf9 s ARG 224 N 1.33 1.60 -0.20 5.12 0.52 -1.26 -0.99 118.95 125.06 3hf9 s ARG 224 Ca -0.09 -0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 54.45 3hf9 s ARG 224 Cb -0.09 -2.15 0.07 0.00 0.52 0.00 0.00 34.95 33.31 3hf9 s ARG 224 CO -0.11 -1.62 0.11 0.42 0.02 0.00 0.00 175.30 174.12 3hf9 s ILE 225 N -3.37 -0.10 -0.24 1.52 1.01 -0.49 -4.88 121.20 114.65 3hf9 s ILE 225 Ca 0.66 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.92 3hf9 s ILE 225 Cb -0.07 -0.68 -0.12 0.00 0.01 0.00 0.00 42.46 41.60 3hf9 s ILE 225 CO 0.47 -0.39 -0.29 0.41 0.00 0.00 0.00 174.94 175.14 3hf9 n THR 226 N 5.27 1.35 0.00 2.92 -1.04 -1.26 -4.37 114.28 117.16 3hf9 n THR 226 Ca -0.07 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 3hf9 n THR 226 Cb 0.47 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 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 1.73 3.98 0.26 3.41 0.00 -1.26 -4.73 105.19 108.57 3hf9 n GLY 227 Ca -0.47 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 3hf9 n GLY 227 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hf9 n SER 228 N 0.00 -0.65 -0.19 1.61 3.41 -1.26 -0.47 113.62 116.07 3hf9 n SER 228 Ca 0.00 1.15 -0.03 0.00 -0.26 0.00 0.00 58.87 59.72 3hf9 n SER 228 Cb 0.00 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 63.81 3hf9 n SER 228 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hf9 h ALA 229 N 0.25 0.16 -0.57 7.33 0.00 -1.97 -0.34 119.26 124.12 3hf9 h ALA 229 Ca 0.10 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3hf9 h ALA 229 Cb 0.25 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3hf9 h ALA 229 CO -0.57 -0.56 0.32 1.25 0.00 0.00 0.00 179.25 179.68 3hf9 h LEU 230 N -0.10 0.48 -1.00 0.00 6.46 -1.04 -1.21 115.31 118.90 3hf9 h LEU 230 Ca 0.25 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.01 3hf9 h LEU 230 Cb 0.50 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 3hf9 h LEU 230 CO -0.63 0.33 0.37 -0.61 -0.62 0.00 0.00 178.44 177.28 3hf9 h GLN 231 N 0.61 1.08 -0.57 1.25 4.15 -0.26 -1.98 115.11 119.39 3hf9 h GLN 231 Ca 0.24 -0.15 0.09 0.00 0.77 0.00 0.00 58.65 59.60 3hf9 h GLN 231 Cb 0.10 -0.20 -0.11 0.00 0.21 0.00 0.00 27.48 27.49 3hf9 h GLN 231 CO -0.14 0.83 -0.43 0.00 -1.93 0.00 0.00 178.83 177.16 3hf9 h ALA 232 N 1.33 -0.33 0.00 3.38 0.00 0.08 -0.81 119.26 122.91 3hf9 h ALA 232 Ca 0.26 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hf9 h ALA 232 Cb 0.10 0.95 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hf9 h ALA 232 CO -0.03 -0.83 0.00 1.28 0.00 0.00 0.00 179.25 179.67 3hf9 n LEU 233 N -5.41 0.00 -0.05 0.00 4.77 -0.75 -5.11 117.00 110.46 3hf9 n LEU 233 Ca 0.02 0.12 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 3hf9 n LEU 233 Cb 0.35 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3hf9 n LEU 233 CO -0.01 -0.07 0.27 0.18 -1.33 0.00 0.00 177.39 176.43